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Putative multidrug export ATP-binding/permease protein SAOUHSC_02003

May be involved in multidrug export. Transmembrane domains (TMD) form a pore in the cell membrane and the ATP-binding domain (NBD) is responsible for energy generation (By similarity).

AlphaFold DB , UniProt , Accession Q2G2M9, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene n/a, Length 578 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
1M82.7Confident89.8Confident59 Ų5977.9 Ų77.929%0.29137%0.372SS..  0-70.70-174.5-96.4-8400113.3K3 R4 Y5 F308 M311 D312 F315M1-K3 PolarHBondContact O-N 3.45Å; M1-R4 WeakPolarHBondContact O-CA 3.43Å; M1-R4 WeakPolarHBondContact O-CB 3.45Å; M1-R4 PolarHBondContact O-N 3.21Å; M1-Y5 PolarHBondContact O-N 3.18Å; M1-Y5 VanDerWaalsContact O-N 3.08Å; M1-F308 HydrophobicContact CE-CB 3.95Å; M1-F308 HydrophobicContact CE-CD1 3.9Å; M1-F308 HydrophobicContact CE-CG 4.29Å; M1-F308 WeakPolarHBondContact CE-O 3.14Å; M1-F308 HydrophobicContact SD-CD1 4.35Å; M1-M311 HydrophobicContact CE-CB 3.94Å; M1-M311 HydrophobicContact CG-CB 4.12Å; M1-M311 HydrophobicContact SD-CB 3.57Å; M1-M311 VanDerWaalsContact SD-CB 3.57Å; M1-M311 HydrophobicContact SD-CE 3.76Å; M1-M311 HydrophobicContact SD-CG 4.31Å; M1-M311 HydrophobicContact SD-SD 3.92Å; M1-D312 WeakPolarHBondContact CE-OD1 3.24Å; M1-F315 HydrophobicContact CG-CD2 3.55Å; M1-F315 HydrophobicContact CG-CE2 4.03Å; M1-F315 HydrophobicContact CG-CG 4.49Å
2I86.4Confident90Very high73 Ų7374 Ų7437%0.37435%0.351SS..Hα-helixtrans-53.4-46.7-175.3-61.4175000113R4 Y5 L6 F134 F308I2-R4 PolarHBondContact O-N 3.29Å; I2-Y5 PolarHBondContact O-N 3.46Å; I2-Y5 VanDerWaalsContact O-N 3.1Å; I2-L6 HydrophobicContact CG2-CD1 4.12Å; I2-L6 HydrophobicContact CG2-CG 4.29Å; I2-L6 WeakPolarHBondContact O-CG 3.4Å; I2-L6 PolarHBondContact O-N 3.19Å; I2-F134 HydrophobicContact CG2-CZ 3.96Å; I2-F308 HydrophobicContact CD1-CD1 4.39Å; I2-F308 HydrophobicContact CD1-CE1 3.61Å; I2-F308 HydrophobicContact CD1-CZ 3.85Å; I2-F308 HydrophobicContact CG1-CD1 4.32Å; I2-F308 HydrophobicContact CG1-CE1 3.79Å
3K88.2Confident90Very high185 Ų18576.4 Ų76.480%0.80436%0.359SS*.Hα-helixtrans-54.8-34.8175.9-70-175.3178.4-179.40113.3M1M1-K3 PolarHBondContact O-N 3.45Å
4R89.6Confident90Very high68 Ų6883.1 Ų83.126%0.25738%0.381SS..Hα-helixtrans-74.9-41.6177.9-64.8173.760.6-168.92.3111.1M1 I2 L6 Q7 F315 D319M1-R4 WeakPolarHBondContact O-CA 3.43Å; M1-R4 WeakPolarHBondContact O-CB 3.45Å; M1-R4 PolarHBondContact O-N 3.21Å; I2-R4 PolarHBondContact O-N 3.29Å; R4-L6 VanDerWaalsContact C-N 3.28Å; R4-L6 PolarHBondContact O-N 2.73Å; R4-Q7 VanDerWaalsContact O-CB 3.24Å; R4-Q7 WeakPolarHBondContact O-CB 3.31Å; R4-Q7 PolarHBondContact O-N 3.45Å; R4-F315 HydrophobicContact CB-CD1 4.33Å; R4-F315 HydrophobicContact CB-CE1 3.65Å; R4-F315 HydrophobicContact CB-CE2 4.41Å; R4-F315 HydrophobicContact CB-CZ 3.71Å; R4-D319 IonicContact CZ-OD1 2.58Å; R4-D319 IonicContact CZ-OD2 2.96Å; R4-D319 IonicContact NH1-OD1 2.74Å; R4-D319 PolarHBondContact NH1-OD1 3.37Å; R4-D319 IonicContact NH1-OD2 3.67Å; R4-D319 PolarHBondContact NH1-OD2 3.25Å; R4-D319 IonicContact NH2-OD1 3.25Å; R4-D319 PolarHBondContact NH2-OD1 3.39Å; R4-D319 IonicContact NH2-OD2 2.66Å
5Y90.9Very high90Very high2 Ų284.8 Ų84.81%0.00838%0.383CS..Hα-helixtrans-60.9-40.5174.3-167.2-93.2000112M1 I2 Q7 F8 V9 I92 I96 T131 F134 I135 M311 F315M1-Y5 PolarHBondContact O-N 3.18Å; M1-Y5 VanDerWaalsContact O-N 3.08Å; I2-Y5 PolarHBondContact O-N 3.46Å; I2-Y5 VanDerWaalsContact O-N 3.1Å; Y5-Q7 PolarHBondContact O-N 3.01Å; Y5-F8 WeakPolarHBondContact O-CB 3.14Å; Y5-F8 PolarHBondContact O-N 3.44Å; Y5-V9 HydrophobicContact CD1-CG2 3.66Å; Y5-V9 HydrophobicContact CE1-CG2 3.67Å; Y5-V9 PolarHBondContact O-N 3.17Å; Y5-I92 HydrophobicContact CE1-CG2 4.48Å; Y5-I96 HydrophobicContact CD2-CD1 4.18Å; Y5-I96 HydrophobicContact CE2-CD1 3.43Å; Y5-I96 VanDerWaalsContact CE2-CD1 3.43Å; Y5-T131 HydrophobicContact CE2-CG2 4.27Å; Y5-T131 PolarHBondContact OH-O 3.44Å; Y5-T131 VanDerWaalsContact OH-O 3.12Å; Y5-T131 PolarHBondContact OH-OG1 3.21Å; Y5-F134 AromaticContact CD1-CD1 3.57Å; Y5-F134 HydrophobicContact CD1-CD1 3.57Å; Y5-F134 AromaticContact CD1-CE1 3.85Å; Y5-F134 HydrophobicContact CD1-CE1 3.85Å; Y5-F134 AromaticContact CE1-CD1 3.58Å; Y5-F134 HydrophobicContact CE1-CD1 3.58Å; Y5-F134 HydrophobicContact CE1-CE1 4.25Å; Y5-I135 HydrophobicContact CE1-CD1 4.21Å; Y5-I135 HydrophobicContact CE1-CG1 3.92Å; Y5-I135 VanDerWaalsContact OH-CD1 3.26Å; Y5-I135 WeakPolarHBondContact OH-CD1 3.46Å; Y5-M311 HydrophobicContact CD1-CE 3.67Å; Y5-M311 HydrophobicContact CD2-CE 3.4Å; Y5-M311 HydrophobicContact CD2-CG 4.29Å; Y5-M311 HydrophobicContact CE1-CE 4.31Å; Y5-M311 HydrophobicContact CE2-CE 4.05Å; Y5-M311 HydrophobicContact CE2-CG 4.47Å; Y5-M311 HydrophobicContact CG-CE 3.16Å; Y5-F315 HydrophobicContact CD2-CE2 4.21Å; Y5-F315 HydrophobicContact CD2-CZ 4.41Å
6L91.7Very high89.9Confident71 Ų7180.3 Ų80.337%0.37236%0.364SS..Hα-helixtrans-59.7-18.3176.2-69.6174.7000113.5I2 R4 V9 K10 F134 L139I2-L6 HydrophobicContact CG2-CD1 4.12Å; I2-L6 HydrophobicContact CG2-CG 4.29Å; I2-L6 WeakPolarHBondContact O-CG 3.4Å; I2-L6 PolarHBondContact O-N 3.19Å; R4-L6 VanDerWaalsContact C-N 3.28Å; R4-L6 PolarHBondContact O-N 2.73Å; L6-V9 HydrophobicContact CD2-CB 4.29Å; L6-V9 HydrophobicContact CD2-CG1 4.48Å; L6-V9 HydrophobicContact CD2-CG2 4.31Å; L6-V9 PolarHBondContact O-N 3.19Å; L6-K10 WeakPolarHBondContact O-CB 3.37Å; L6-K10 PolarHBondContact O-N 3.33Å; L6-F134 HydrophobicContact CD2-CE1 4.38Å; L6-L139 HydrophobicContact CD2-CD1 4.37Å
7Q91.9Very high89.9Confident126 Ų12683.4 Ų83.459%0.58938%0.376SS*.Hα-helixtrans-66.9-37.2171.7-61.5178.2-19.900112R4 Y5 V9 P11R4-Q7 VanDerWaalsContact O-CB 3.24Å; R4-Q7 WeakPolarHBondContact O-CB 3.31Å; R4-Q7 PolarHBondContact O-N 3.45Å; Y5-Q7 PolarHBondContact O-N 3.01Å; Q7-V9 VanDerWaalsContact C-N 3.29Å; Q7-P11 WeakPolarHBondContact O-CD 3.38Å
8F90.8Very high89.9Confident23 Ų2380.9 Ų80.910%0.10137%0.373CS..Hα-helixtrans-72.7-26.2172.6-63.1-84.2000112.2Y5 P11 Y12 I92 D95 I96 K99 F315Y5-F8 WeakPolarHBondContact O-CB 3.14Å; Y5-F8 PolarHBondContact O-N 3.44Å; F8-P11 WeakPolarHBondContact O-CD 3.41Å; F8-Y12 WeakPolarHBondContact O-CD2 3.46Å; F8-I92 HydrophobicContact CB-CG2 4Å; F8-D95 HydrophobicContact CD1-CB 4.32Å; F8-I96 HydrophobicContact CB-CG1 4.31Å; F8-I96 HydrophobicContact CD1-CG1 3.72Å; F8-I96 HydrophobicContact CD2-CG1 4.04Å; F8-I96 HydrophobicContact CE1-CG1 3.88Å; F8-I96 HydrophobicContact CE2-CG1 4.19Å; F8-I96 HydrophobicContact CG-CD1 4.45Å; F8-I96 HydrophobicContact CG-CG1 3.78Å; F8-I96 HydrophobicContact CZ-CG1 4.08Å; F8-K99 HydrophobicContact CE1-CB 4.21Å; F8-K99 HydrophobicContact CE1-CD 3.8Å; F8-K99 HydrophobicContact CZ-CB 4.5Å; F8-K99 HydrophobicContact CZ-CD 3.54Å; F8-F315 HydrophobicContact CE2-CE1 4.2Å; F8-F315 HydrophobicContact CE2-CZ 4.21Å
9V91.3Very high89.8Confident9 Ų976.7 Ų76.76%0.05535%0.354CS..Hα-helixtrans-78.7-32.4177.6-177.50000112Y5 L6 Q7 P11 Y12 K13 I16 I92 L139Y5-V9 HydrophobicContact CD1-CG2 3.66Å; Y5-V9 HydrophobicContact CE1-CG2 3.67Å; Y5-V9 PolarHBondContact O-N 3.17Å; L6-V9 HydrophobicContact CD2-CB 4.29Å; L6-V9 HydrophobicContact CD2-CG1 4.48Å; L6-V9 HydrophobicContact CD2-CG2 4.31Å; L6-V9 PolarHBondContact O-N 3.19Å; Q7-V9 VanDerWaalsContact C-N 3.29Å; V9-P11 VanDerWaalsContact C-CD 3.42Å; V9-Y12 CarbonylContact O-C 3.49Å; V9-Y12 WeakPolarHBondContact O-CA 2.97Å; V9-Y12 PolarHBondContact O-N 3.45Å; V9-K13 PolarHBondContact O-N 2.76Å; V9-I16 HydrophobicContact CG1-CD1 3.24Å; V9-I92 HydrophobicContact CB-CD1 4.42Å; V9-I92 HydrophobicContact CG1-CD1 4.45Å; V9-I92 HydrophobicContact CG2-CD1 4.14Å; V9-L139 HydrophobicContact CG1-CD1 3.9Å; V9-L139 HydrophobicContact CG2-CD1 4.22Å
10K91.1Very high89.8Confident149 Ų14974.6 Ų74.665%0.64835%0.345SS*.G310 helixtrans-50.5-42.8-173.6-175.4-177.9178.6-175.10114.5L6 Y12 K13L6-K10 WeakPolarHBondContact O-CB 3.37Å; L6-K10 PolarHBondContact O-N 3.33Å; K10-Y12 PolarHBondContact O-N 3.31Å; K10-K13 WeakPolarHBondContact O-CG 3.32Å; K10-K13 PolarHBondContact O-N 3.01Å
11P93Very high89.7Confident92 Ų9274.5 Ų74.560%0.59735%0.346SS*.G310 helixtrans-60.5-25.7176.4-23.735.3000113.5Q7 F8 V9Q7-P11 WeakPolarHBondContact O-CD 3.38Å; F8-P11 WeakPolarHBondContact O-CD 3.41Å; V9-P11 VanDerWaalsContact C-CD 3.42Å
12Y92.8Very high90Very high31 Ų3173 Ų7312%0.12234%0.34CS..G310 helixtrans-103.48-174.8-53.4-79.1000113.7F8 V9 K10 Y14 R15 I16 W87 T88 K91 I92 D95F8-Y12 WeakPolarHBondContact O-CD2 3.46Å; V9-Y12 CarbonylContact O-C 3.49Å; V9-Y12 WeakPolarHBondContact O-CA 2.97Å; V9-Y12 PolarHBondContact O-N 3.45Å; K10-Y12 PolarHBondContact O-N 3.31Å; Y12-Y14 VanDerWaalsContact C-N 3.28Å; Y12-Y14 PolarHBondContact O-N 3.49Å; Y12-Y14 VanDerWaalsContact O-N 3.15Å; Y12-R15 PolarHBondContact O-N 3.18Å; Y12-I16 PolarHBondContact O-N 2.98Å; Y12-W87 HydrophobicContact CD1-CH2 4.41Å; Y12-W87 AromaticContact CD1-CZ3 3.87Å; Y12-W87 HydrophobicContact CD1-CZ3 3.87Å; Y12-W87 HydrophobicContact CE1-CH2 4.05Å; Y12-W87 AromaticContact CE1-CZ3 3.89Å; Y12-W87 HydrophobicContact CE1-CZ3 3.89Å; Y12-T88 HydrophobicContact CG-CG2 4.25Å; Y12-K91 HydrophobicContact CE1-CB 3.82Å; Y12-K91 HydrophobicContact CE1-CG 4.49Å; Y12-I92 HydrophobicContact CD2-CD1 3.91Å; Y12-I92 HydrophobicContact CD2-CG1 3.38Å; Y12-I92 HydrophobicContact CE2-CG1 3.63Å; Y12-I92 HydrophobicContact CG-CD1 4.41Å; Y12-I92 HydrophobicContact CG-CG1 4.21Å; Y12-D95 VanDerWaalsContact CE2-OD2 3.28Å; Y12-D95 WeakPolarHBondContact CE2-OD2 3.45Å; Y12-D95 PolarHBondContact OH-OD2 3.33Å
13K90.3Very high90Very high105 Ų10569.5 Ų69.546%0.45732%0.323SS..Hα-helixtrans-51.9-40.6-17567.8-176.7-177.8169.90114V9 K10 I16 F17V9-K13 PolarHBondContact O-N 2.76Å; K10-K13 WeakPolarHBondContact O-CG 3.32Å; K10-K13 PolarHBondContact O-N 3.01Å; K13-I16 PolarHBondContact O-N 3.49Å; K13-F17 WeakPolarHBondContact O-CB 3.32Å; K13-F17 PolarHBondContact O-N 3.37Å
14Y89.7Confident90Very high170 Ų17063.7 Ų63.767%0.66730%0.3SS*.Hα-helixtrans-69.8-34.9-179.4-64.8-68.6000112.3Y12 F17 A18Y12-Y14 VanDerWaalsContact C-N 3.28Å; Y12-Y14 PolarHBondContact O-N 3.49Å; Y12-Y14 VanDerWaalsContact O-N 3.15Å; Y14-F17 PolarHBondContact O-N 3.41Å; Y14-A18 WeakPolarHBondContact O-CB 3.44Å; Y14-A18 PolarHBondContact O-N 3.44Å
15R89.2Confident89.8Confident109 Ų10964.8 Ų64.841%0.41131%0.31SS..Hα-helixtrans-71.3-38.8175.9-66.3-174.7-175.5-138.40.2111.4Y12 A18 T19 W87Y12-R15 PolarHBondContact O-N 3.18Å; R15-A18 PolarHBondContact O-N 3.05Å; R15-T19 WeakPolarHBondContact O-CB 3.48Å; R15-T19 PolarHBondContact O-N 3.4Å; R15-T19 PolarHBondContact O-OG1 3.25Å; R15-W87 VanDerWaalsContact CD-CZ3 3.45Å
16I88.8Confident89.4Confident13 Ų1366 Ų667%0.06732%0.315CS..Hα-helixtrans-62.8-47173.7-64.9176.4000109.8V9 Y12 K13 A18 T19 I20 T88 L139 M140V9-I16 HydrophobicContact CG1-CD1 3.24Å; Y12-I16 PolarHBondContact O-N 2.98Å; K13-I16 PolarHBondContact O-N 3.49Å; I16-A18 PolarHBondContact O-N 3.14Å; I16-T19 WeakPolarHBondContact O-CB 3.45Å; I16-T19 PolarHBondContact O-N 3.38Å; I16-T19 VanDerWaalsContact O-N 3.13Å; I16-I20 HydrophobicContact CG2-CD1 3.96Å; I16-I20 HydrophobicContact CG2-CG1 4.49Å; I16-I20 WeakPolarHBondContact O-CG1 3.38Å; I16-I20 PolarHBondContact O-N 3.47Å; I16-T88 HydrophobicContact CD1-CG2 4.25Å; I16-T88 HydrophobicContact CG1-CG2 3.84Å; I16-L139 HydrophobicContact CD1-CD1 4.39Å; I16-M140 HydrophobicContact CB-CE 4.49Å; I16-M140 HydrophobicContact CG1-CE 3.93Å; I16-M140 HydrophobicContact CG2-CE 4.42Å
17F89.7Confident88.9Confident132 Ų13264.5 Ų64.558%0.57931%0.306SS*.Hα-helixtrans-58.8-46.1175.7-175.9-107.5000112.3K13 Y14 T19 I20 I21K13-F17 WeakPolarHBondContact O-CB 3.32Å; K13-F17 PolarHBondContact O-N 3.37Å; Y14-F17 PolarHBondContact O-N 3.41Å; F17-T19 VanDerWaalsContact C-N 3.32Å; F17-T19 PolarHBondContact O-N 3.45Å; F17-I20 PolarHBondContact O-N 3.19Å; F17-I21 HydrophobicContact CD1-CD1 3.68Å; F17-I21 HydrophobicContact CE1-CD1 3.24Å; F17-I21 HydrophobicContact CE1-CG1 4.25Å; F17-I21 HydrophobicContact CE2-CD1 4.42Å; F17-I21 HydrophobicContact CG-CD1 4.45Å; F17-I21 HydrophobicContact CZ-CD1 3.66Å; F17-I21 HydrophobicContact CZ-CG1 4.31Å; F17-I21 WeakPolarHBondContact O-CG1 3.38Å; F17-I21 PolarHBondContact O-N 3.29Å
18A89.8Confident88.4Confident39 Ų3959.8 Ų59.832%0.32229%0.291SS..Hα-helixtrans-59.4-41.7173.800000112.1Y14 R15 I16 I20 I21 V22Y14-A18 WeakPolarHBondContact O-CB 3.44Å; Y14-A18 PolarHBondContact O-N 3.44Å; R15-A18 PolarHBondContact O-N 3.05Å; I16-A18 PolarHBondContact O-N 3.14Å; A18-I20 VanDerWaalsContact C-N 3.33Å; A18-I20 PolarHBondContact O-N 3.41Å; A18-I21 PolarHBondContact O-N 3.27Å; A18-V22 VanDerWaalsContact O-CG2 3.27Å; A18-V22 WeakPolarHBondContact O-CG2 3.27Å; A18-V22 PolarHBondContact O-N 2.79Å
19T89.4Confident88.1Confident2 Ų259.3 Ų59.31%0.01229%0.289CS..Hα-helixtrans-63.6-38.9177.2-53.70000111.6R15 I16 F17 G23 R81 L84 A85 M140R15-T19 WeakPolarHBondContact O-CB 3.48Å; R15-T19 PolarHBondContact O-N 3.4Å; R15-T19 PolarHBondContact O-OG1 3.25Å; I16-T19 WeakPolarHBondContact O-CB 3.45Å; I16-T19 PolarHBondContact O-N 3.38Å; I16-T19 VanDerWaalsContact O-N 3.13Å; F17-T19 VanDerWaalsContact C-N 3.32Å; F17-T19 PolarHBondContact O-N 3.45Å; T19-G23 PolarHBondContact O-N 3.38Å; T19-R81 HydrophobicContact CG2-CG 4.05Å; T19-L84 WeakPolarHBondContact OG1-CB 3.26Å; T19-A85 HydrophobicContact CG2-CB 4Å; T19-M140 HydrophobicContact CG2-CE 4.22Å; T19-M140 HydrophobicContact CG2-CG 4.45Å; T19-M140 HydrophobicContact CG2-SD 3.82Å
20I88Confident87.7Confident33 Ų3360.6 Ų60.617%0.16930%0.298CS..Hα-helixtrans-65.3-45.8174.8-67.2166.7000110.1I16 F17 A18 G23 I24I16-I20 HydrophobicContact CG2-CD1 3.96Å; I16-I20 HydrophobicContact CG2-CG1 4.49Å; I16-I20 WeakPolarHBondContact O-CG1 3.38Å; I16-I20 PolarHBondContact O-N 3.47Å; F17-I20 PolarHBondContact O-N 3.19Å; A18-I20 VanDerWaalsContact C-N 3.33Å; A18-I20 PolarHBondContact O-N 3.41Å; I20-G23 CarbonylContact O-C 3.53Å; I20-G23 WeakPolarHBondContact O-CA 3.34Å; I20-G23 PolarHBondContact O-N 2.85Å; I20-G23 VanDerWaalsContact O-N 3.12Å; I20-I24 HydrophobicContact CG2-CD1 4.01Å; I20-I24 HydrophobicContact CG2-CG1 4.39Å; I20-I24 WeakPolarHBondContact O-CG1 3.29Å; I20-I24 PolarHBondContact O-N 3.42Å
21I89.3Confident87.3Confident73 Ų7354.1 Ų54.137%0.37427%0.27SS..Hα-helixtrans-59.2-51.1177.3-70.1169.3000111.3F17 A18 G23 I24 I25F17-I21 HydrophobicContact CD1-CD1 3.68Å; F17-I21 HydrophobicContact CE1-CD1 3.24Å; F17-I21 HydrophobicContact CE1-CG1 4.25Å; F17-I21 HydrophobicContact CE2-CD1 4.42Å; F17-I21 HydrophobicContact CG-CD1 4.45Å; F17-I21 HydrophobicContact CZ-CD1 3.66Å; F17-I21 HydrophobicContact CZ-CG1 4.31Å; F17-I21 WeakPolarHBondContact O-CG1 3.38Å; F17-I21 PolarHBondContact O-N 3.29Å; A18-I21 PolarHBondContact O-N 3.27Å; I21-G23 PolarHBondContact O-N 3.02Å; I21-I24 PolarHBondContact O-N 2.91Å; I21-I24 VanDerWaalsContact O-N 3.1Å; I21-I25 HydrophobicContact CG2-CD1 4.31Å; I21-I25 WeakPolarHBondContact O-CG1 3.34Å; I21-I25 PolarHBondContact O-N 2.99Å; I21-I25 VanDerWaalsContact O-N 3.12Å
22V89.2Confident86.8Confident27 Ų2753.6 Ų53.616%0.16426%0.262CS..Hα-helixtrans-59.5-37.1176.9177.80000110.2A18 I25 K26 I77 I80 R81A18-V22 VanDerWaalsContact O-CG2 3.27Å; A18-V22 WeakPolarHBondContact O-CG2 3.27Å; A18-V22 PolarHBondContact O-N 2.79Å; V22-I25 PolarHBondContact O-N 2.94Å; V22-K26 WeakPolarHBondContact O-CB 3.32Å; V22-K26 PolarHBondContact O-N 3.48Å; V22-I77 HydrophobicContact CG1-CG2 3.65Å; V22-I77 WeakPolarHBondContact CG1-O 3.35Å; V22-I77 WeakPolarHBondContact O-CG2 3.24Å; V22-I80 HydrophobicContact CG1-CB 4.43Å; V22-I80 HydrophobicContact CG1-CG2 4.23Å; V22-I80 HydrophobicContact CG2-CG2 4.31Å; V22-R81 HydrophobicContact CG1-CB 3.85Å
23G86.6Confident86.4Confident0 Ų055.8 Ų55.80%028%0.275CS..Hα-helixtrans-61.6-46.1172.700000113.4T19 I20 I21 I25 K26 F27T19-G23 PolarHBondContact O-N 3.38Å; I20-G23 CarbonylContact O-C 3.53Å; I20-G23 WeakPolarHBondContact O-CA 3.34Å; I20-G23 PolarHBondContact O-N 2.85Å; I20-G23 VanDerWaalsContact O-N 3.12Å; I21-G23 PolarHBondContact O-N 3.02Å; G23-I25 VanDerWaalsContact C-N 3.29Å; G23-I25 PolarHBondContact O-N 3.28Å; G23-K26 WeakPolarHBondContact O-CB 3.45Å; G23-K26 PolarHBondContact O-N 2.85Å; G23-F27 VanDerWaalsContact O-CD2 3.3Å; G23-F27 WeakPolarHBondContact O-CD2 3.36Å; G23-F27 PolarHBondContact O-N 3.23Å
24I86.5Confident86.1Confident63 Ų6351 Ų5132%0.32326%0.255SS..Hα-helixtrans-60.1-43.3178.7-66.8164.7000109.9I20 I21 F27 G28 L144 I147I20-I24 HydrophobicContact CG2-CD1 4.01Å; I20-I24 HydrophobicContact CG2-CG1 4.39Å; I20-I24 WeakPolarHBondContact O-CG1 3.29Å; I20-I24 PolarHBondContact O-N 3.42Å; I21-I24 PolarHBondContact O-N 2.91Å; I21-I24 VanDerWaalsContact O-N 3.1Å; I24-F27 PolarHBondContact O-N 2.87Å; I24-G28 PolarHBondContact O-N 3.1Å; I24-L144 HydrophobicContact CG1-CD2 3.9Å; I24-I147 HydrophobicContact CD1-CD1 3.7Å; I24-I147 HydrophobicContact CG1-CD1 3.81Å; I24-I147 HydrophobicContact CG1-CG2 4.35Å
25I85.9Confident85.5Confident92 Ų9246.6 Ų46.647%0.47224%0.242SC..Hα-helixtrans-61.9-47176.3-58.8168.7000110.4I21 V22 G23 F27 G28 I29 I77I21-I25 HydrophobicContact CG2-CD1 4.31Å; I21-I25 WeakPolarHBondContact O-CG1 3.34Å; I21-I25 PolarHBondContact O-N 2.99Å; I21-I25 VanDerWaalsContact O-N 3.12Å; V22-I25 PolarHBondContact O-N 2.94Å; G23-I25 VanDerWaalsContact C-N 3.29Å; G23-I25 PolarHBondContact O-N 3.28Å; I25-F27 VanDerWaalsContact C-N 3.34Å; I25-F27 PolarHBondContact O-N 2.82Å; I25-G28 PolarHBondContact O-N 3.27Å; I25-I29 PolarHBondContact O-N 2.93Å; I25-I77 HydrophobicContact CG2-CD1 3.75Å
26K82.9Confident85.3Confident27 Ų2744 Ų4412%0.11724%0.236CC..Hα-helixtrans-54.6-48.5175.9175.1-160.1151.8160.10111.9V22 G23 P30 I77 E78 R81V22-K26 WeakPolarHBondContact O-CB 3.32Å; V22-K26 PolarHBondContact O-N 3.48Å; G23-K26 WeakPolarHBondContact O-CB 3.45Å; G23-K26 PolarHBondContact O-N 2.85Å; K26-P30 WeakPolarHBondContact O-CD 3.39Å; K26-I77 HydrophobicContact CB-CG2 3.83Å; K26-E78 WeakPolarHBondContact CD-OE2 3.36Å; K26-E78 WeakPolarHBondContact CE-OE2 3.2Å; K26-E78 IonicContact NZ-OE1 3.45Å; K26-E78 PolarHBondContact NZ-OE1 3.05Å; K26-E78 IonicContact NZ-OE2 3.83Å; K26-E78 PolarHBondContact NZ-OE2 2.83Å; K26-R81 VanDerWaalsContact NZ-NH2 3.15Å
27F80.4Confident85Confident40 Ų4046.9 Ų46.918%0.17525%0.251CS..Hα-helixtrans-76.9-23.4-176.1-83.7-86.3000112.9G23 I24 I25 P30 M31 L144G23-F27 VanDerWaalsContact O-CD2 3.3Å; G23-F27 WeakPolarHBondContact O-CD2 3.36Å; G23-F27 PolarHBondContact O-N 3.23Å; I24-F27 PolarHBondContact O-N 2.87Å; I25-F27 VanDerWaalsContact C-N 3.34Å; I25-F27 PolarHBondContact O-N 2.82Å; F27-P30 WeakPolarHBondContact O-CD 3.17Å; F27-M31 WeakPolarHBondContact O-CG 3.42Å; F27-L144 HydrophobicContact CD2-CB 3.89Å; F27-L144 HydrophobicContact CD2-CD1 3.89Å; F27-L144 HydrophobicContact CD2-CD2 4.37Å; F27-L144 HydrophobicContact CD2-CG 4.26Å; F27-L144 HydrophobicContact CE2-CB 3.85Å; F27-L144 HydrophobicContact CE2-CD1 3.62Å; F27-L144 HydrophobicContact CE2-CG 4.28Å; F27-L144 HydrophobicContact CZ-CB 4.48Å
28G82.3Confident84.5Confident27 Ų2743.8 Ų43.828%0.27824%0.237SC..Hα-helixtrans-67.4-32.1171.700000113.6I24 I25 M31I24-G28 PolarHBondContact O-N 3.1Å; I25-G28 PolarHBondContact O-N 3.27Å; G28-M31 VanDerWaalsContact O-CB 3.29Å; G28-M31 WeakPolarHBondContact O-CB 3.33Å; G28-M31 PolarHBondContact O-N 3.17Å; G28-M31 VanDerWaalsContact O-N 3.1Å
29I84.9Confident84.2Confident12 Ų1246.7 Ų46.76%0.06224%0.241CC..G310 helixtrans-58.7-52-178.3-70.5166000112.4I25 M31 L32 I69 F70 V73 R74 I77I25-I29 PolarHBondContact O-N 2.93Å; I29-M31 PolarHBondContact O-N 3.49Å; I29-L32 WeakPolarHBondContact O-CB 3.5Å; I29-L32 PolarHBondContact O-N 3.43Å; I29-L32 VanDerWaalsContact O-N 3.12Å; I29-I69 HydrophobicContact CB-CG2 4.34Å; I29-I69 HydrophobicContact CD1-CG2 4.2Å; I29-I69 HydrophobicContact CG1-CG2 3.92Å; I29-I69 HydrophobicContact CG2-CG2 3.59Å; I29-F70 HydrophobicContact CG2-CD1 4.16Å; I29-F70 HydrophobicContact CG2-CD2 4.45Å; I29-F70 HydrophobicContact CG2-CE1 3.77Å; I29-F70 HydrophobicContact CG2-CE2 4.07Å; I29-F70 HydrophobicContact CG2-CG 4.48Å; I29-F70 HydrophobicContact CG2-CZ 3.7Å; I29-V73 HydrophobicContact CD1-CG1 4.49Å; I29-R74 HydrophobicContact CD1-CB 4.06Å; I29-R74 HydrophobicContact CD1-CG 4.35Å; I29-I77 HydrophobicContact CD1-CD1 4.17Å
30P82.9Confident83.8Confident37 Ų3747.5 Ų47.524%0.2425%0.247CC..G310 helixtrans-57.4-26.4174.9-27.935.1000115.1K26 F27 L32 I33K26-P30 WeakPolarHBondContact O-CD 3.39Å; F27-P30 WeakPolarHBondContact O-CD 3.17Å; P30-L32 PolarHBondContact O-N 3.41Å; P30-I33 PolarHBondContact O-N 2.8Å; P30-I33 VanDerWaalsContact O-N 3.11Å
31M82.1Confident83.4Confident13 Ų1348.3 Ų48.36%0.06425%0.251CS..G310 helixtrans-67.2-15178.9-53.6177.3171.300113.5F27 G28 I29 I33 T148 I151 L289F27-M31 WeakPolarHBondContact O-CG 3.42Å; G28-M31 VanDerWaalsContact O-CB 3.29Å; G28-M31 WeakPolarHBondContact O-CB 3.33Å; G28-M31 PolarHBondContact O-N 3.17Å; G28-M31 VanDerWaalsContact O-N 3.1Å; I29-M31 PolarHBondContact O-N 3.49Å; M31-I33 VanDerWaalsContact C-N 3.31Å; M31-T148 HydrophobicContact CE-CG2 3.6Å; M31-I151 HydrophobicContact CE-CB 3.91Å; M31-I151 HydrophobicContact CE-CD1 3.99Å; M31-I151 HydrophobicContact CE-CG2 4.02Å; M31-I151 HydrophobicContact SD-CB 3.99Å; M31-I151 HydrophobicContact SD-CD1 4.14Å; M31-I151 HydrophobicContact SD-CG2 3.4Å; M31-I151 WeakPolarHBondContact SD-CG2 3.4Å; M31-L289 HydrophobicContact CB-CD2 3.98Å; M31-L289 HydrophobicContact CG-CD2 3.64Å
32L81.5Confident82.9Confident81 Ų8147.5 Ų47.542%0.42425%0.248SC..Hα-helixtrans-74.7-20.4174.3-59.8176.8000112.5I29 P30 L35 L36 I69I29-L32 WeakPolarHBondContact O-CB 3.5Å; I29-L32 PolarHBondContact O-N 3.43Å; I29-L32 VanDerWaalsContact O-N 3.12Å; P30-L32 PolarHBondContact O-N 3.41Å; L32-L35 PolarHBondContact O-N 3.19Å; L32-L36 WeakPolarHBondContact O-CB 3.32Å; L32-L36 PolarHBondContact O-N 2.97Å; L32-I69 HydrophobicContact CD1-CD1 4.12Å
33I85.7Confident82.3Confident77 Ų7747.1 Ų47.140%0.39525%0.25SC..Hα-helixtrans-64.4-51.6-176.1-63.6172000111.9P30 M31 L35 L36 I37 F70P30-I33 PolarHBondContact O-N 2.8Å; P30-I33 VanDerWaalsContact O-N 3.11Å; M31-I33 VanDerWaalsContact C-N 3.31Å; I33-L35 VanDerWaalsContact C-N 3.26Å; I33-L35 PolarHBondContact O-N 3.48Å; I33-L36 WeakPolarHBondContact O-CB 3.28Å; I33-L36 PolarHBondContact O-N 3.33Å; I33-L36 VanDerWaalsContact O-N 3.11Å; I33-I37 HydrophobicContact CG2-CD1 3.94Å; I33-I37 HydrophobicContact CG2-CG1 4.43Å; I33-I37 WeakPolarHBondContact O-CG1 3.18Å; I33-I37 PolarHBondContact O-N 2.94Å; I33-F70 HydrophobicContact CD1-CE1 4.11Å; I33-F70 HydrophobicContact CD1-CE2 4.28Å; I33-F70 HydrophobicContact CD1-CZ 3.57Å; I33-F70 HydrophobicContact CG1-CE2 3.97Å; I33-F70 HydrophobicContact CG1-CZ 3.63Å
34P82.5Confident82Confident5 Ų547.4 Ų47.43%0.03225%0.252CS..Hα-helixtrans-60.6-34.8177.7-24.935.6000113.2I37 K38 Y286P34-I37 PolarHBondContact O-N 2.81Å; P34-K38 PolarHBondContact O-N 3.05Å; P34-Y286 HydrophobicContact CB-CD2 4.3Å; P34-Y286 HydrophobicContact CB-CE1 4.23Å; P34-Y286 HydrophobicContact CB-CE2 3.93Å; P34-Y286 HydrophobicContact CG-CD1 4.41Å; P34-Y286 HydrophobicContact CG-CE1 4.22Å
35L78.8Confident81.6Confident77 Ų7749.6 Ų49.640%0.40326%0.263SS..Hα-helixtrans-67.5-40.2174.4-67.1176.4000112L32 I33 I37 K38 Y39 Y286L32-L35 PolarHBondContact O-N 3.19Å; I33-L35 VanDerWaalsContact C-N 3.26Å; I33-L35 PolarHBondContact O-N 3.48Å; L35-I37 VanDerWaalsContact C-N 3.33Å; L35-K38 PolarHBondContact O-N 3.14Å; L35-Y39 WeakPolarHBondContact O-CB 3.3Å; L35-Y39 PolarHBondContact O-N 3.21Å; L35-Y286 VanDerWaalsContact CD2-OH 3.31Å; L35-Y286 WeakPolarHBondContact CD2-OH 3.49Å; L35-Y286 VanDerWaalsContact CG-OH 3.24Å; L35-Y286 WeakPolarHBondContact CG-OH 3.21Å
36L83.6Confident81.2Confident54 Ų5449.3 Ų49.328%0.28326%0.262SS..Hα-helixtrans-63.8-39.9175.1-174.6147.1000111.1L32 I33 Y39 A40 A66L32-L36 WeakPolarHBondContact O-CB 3.32Å; L32-L36 PolarHBondContact O-N 2.97Å; I33-L36 WeakPolarHBondContact O-CB 3.28Å; I33-L36 PolarHBondContact O-N 3.33Å; I33-L36 VanDerWaalsContact O-N 3.11Å; L36-Y39 PolarHBondContact O-N 3.33Å; L36-A40 VanDerWaalsContact O-CB 3.31Å; L36-A40 WeakPolarHBondContact O-CB 2.93Å; L36-A40 PolarHBondContact O-N 3.17Å; L36-A66 HydrophobicContact CD1-CB 3.49Å; L36-A66 VanDerWaalsContact CD1-CB 3.49Å
37I82.7Confident81Confident74 Ų7450.6 Ų50.638%0.37927%0.27SS..Hα-helixtrans-62.7-48.9173.8-66.7168000110.4I33 P34 L35 Y39 A40 I41I33-I37 HydrophobicContact CG2-CD1 3.94Å; I33-I37 HydrophobicContact CG2-CG1 4.43Å; I33-I37 WeakPolarHBondContact O-CG1 3.18Å; I33-I37 PolarHBondContact O-N 2.94Å; P34-I37 PolarHBondContact O-N 2.81Å; L35-I37 VanDerWaalsContact C-N 3.33Å; I37-Y39 VanDerWaalsContact C-N 3.33Å; I37-Y39 PolarHBondContact O-N 2.85Å; I37-A40 PolarHBondContact O-N 2.94Å; I37-I41 HydrophobicContact CG2-CD1 3.71Å; I37-I41 HydrophobicContact CG2-CG1 4.43Å; I37-I41 WeakPolarHBondContact O-CG1 3.4Å; I37-I41 PolarHBondContact O-N 3.43Å
38K80.2Confident80.9Confident66 Ų6657 Ų5729%0.28730%0.3SS..Hα-helixtrans-58.5-45.2176.6-176.5-174.5174.7-174.60111.5P34 L35 I41 D42 A282P34-K38 PolarHBondContact O-N 3.05Å; L35-K38 PolarHBondContact O-N 3.14Å; K38-I41 PolarHBondContact O-N 2.87Å; K38-D42 PolarHBondContact O-N 2.76Å; K38-A282 HydrophobicContact CB-CB 4.47Å
39Y82.8Confident80.8Confident101 Ų10159.9 Ų59.940%0.39632%0.322SS..Iπ-helixtrans-62.7-43177.5177.9-100.9000112L35 L36 I37 I41 G43 V44 A62L35-Y39 WeakPolarHBondContact O-CB 3.3Å; L35-Y39 PolarHBondContact O-N 3.21Å; L36-Y39 PolarHBondContact O-N 3.33Å; I37-Y39 VanDerWaalsContact C-N 3.33Å; I37-Y39 PolarHBondContact O-N 2.85Å; Y39-I41 PolarHBondContact O-N 3.24Å; Y39-G43 CarbonylContact O-C 3.42Å; Y39-G43 WeakPolarHBondContact O-CA 3.23Å; Y39-G43 PolarHBondContact O-N 2.87Å; Y39-V44 HydrophobicContact CD1-CG2 4.34Å; Y39-V44 HydrophobicContact CE1-CG2 3.92Å; Y39-V44 PolarHBondContact O-N 3.19Å; Y39-A62 HydrophobicContact CD1-CB 4.23Å; Y39-A62 HydrophobicContact CE1-CB 4.05Å
40A81.1Confident80.5Confident19 Ų1961.3 Ų61.316%0.15733%0.329CS..Iπ-helixtrans-62.8-41.117600000111.8L36 I37 V44 I45 L59L36-A40 VanDerWaalsContact O-CB 3.31Å; L36-A40 WeakPolarHBondContact O-CB 2.93Å; L36-A40 PolarHBondContact O-N 3.17Å; I37-A40 PolarHBondContact O-N 2.94Å; A40-V44 WeakPolarHBondContact O-CB 3.42Å; A40-I45 VanDerWaalsContact O-CG1 3.27Å; A40-I45 WeakPolarHBondContact O-CG1 2.95Å; A40-I45 PolarHBondContact O-N 2.81Å; A40-L59 HydrophobicContact CB-CD1 4.24Å
41I79.3Confident80.5Confident49 Ų4963.3 Ų63.325%0.25134%0.341SS..Iπ-helixtrans-73.8-59.8-179.6-64.9171.2000111.4I37 K38 Y39 I45 N46 A281I37-I41 HydrophobicContact CG2-CD1 3.71Å; I37-I41 HydrophobicContact CG2-CG1 4.43Å; I37-I41 WeakPolarHBondContact O-CG1 3.4Å; I37-I41 PolarHBondContact O-N 3.43Å; K38-I41 PolarHBondContact O-N 2.87Å; Y39-I41 PolarHBondContact O-N 3.24Å; I41-I45 WeakPolarHBondContact O-CB 3.43Å; I41-I45 PolarHBondContact O-N 2.86Å; I41-N46 WeakPolarHBondContact O-CB 3.42Å; I41-N46 PolarHBondContact O-N 2.81Å; I41-A281 HydrophobicContact CD1-CB 4.42Å
42D78.8Confident80.5Confident56 Ų5667.9 Ų67.930%0.29937%0.37SS..Iπ-helixtrans-83.1-38.5-171.1-67.4-22.5000112.3K38K38-D42 PolarHBondContact O-N 2.76Å
43G76.2Confident80.6Confident20 Ų2070.4 Ų70.421%0.20638%0.383CS..Iπ-helixtrans-82.7-29.4-175.300000114.2Y39 N47 L50Y39-G43 CarbonylContact O-C 3.42Å; Y39-G43 WeakPolarHBondContact O-CA 3.23Å; Y39-G43 PolarHBondContact O-N 2.87Å; G43-N47 WeakPolarHBondContact O-CB 3.35Å; G43-N47 PolarHBondContact O-ND2 2.97Å; G43-L50 WeakPolarHBondContact O-CD1 3.32Å
44V80.1Confident80.6Confident6 Ų670.8 Ų70.84%0.03638%0.384CS..Iπ-helixtrans-113.3-62.2-175.9-177.70000111.6Y39 A40 K55 H58 L59Y39-V44 HydrophobicContact CD1-CG2 4.34Å; Y39-V44 HydrophobicContact CE1-CG2 3.92Å; Y39-V44 PolarHBondContact O-N 3.19Å; A40-V44 WeakPolarHBondContact O-CB 3.42Å; V44-K55 HydrophobicContact CG1-CB 3.64Å; V44-K55 HydrophobicContact CG1-CG 3.99Å; V44-K55 WeakPolarHBondContact CG1-O 3.38Å; V44-K55 WeakPolarHBondContact O-CD 3.49Å; V44-K55 WeakPolarHBondContact O-CE 3.29Å; V44-K55 WeakPolarHBondContact O-CG 3.42Å; V44-K55 PolarHBondContact O-NZ 3.39Å; V44-H58 HydrophobicContact CG2-CB 4.29Å; V44-L59 HydrophobicContact CG1-CB 4.36Å
45I78.8Confident80.7Confident109 Ų10972.7 Ų72.756%0.55939%0.391SS*.Iπ-helixtrans-65.4-57.1-172.9-66.3166.5000110.9A40 I41 N47 K55A40-I45 VanDerWaalsContact O-CG1 3.27Å; A40-I45 WeakPolarHBondContact O-CG1 2.95Å; A40-I45 PolarHBondContact O-N 2.81Å; I41-I45 WeakPolarHBondContact O-CB 3.43Å; I41-I45 PolarHBondContact O-N 2.86Å; I45-N47 VanDerWaalsContact C-N 3.3Å; I45-N47 PolarHBondContact O-N 2.93Å; I45-K55 PolarHBondContact O-NZ 3.29Å
46N78.3Confident81Confident85 Ų8573 Ų7346%0.45540%0.396SS..SBendtrans-82-3.5-175-66.9-20.5000114I41 H48I41-N46 WeakPolarHBondContact O-CB 3.42Å; I41-N46 PolarHBondContact O-N 2.81Å; N46-H48 PolarHBondContact O-CD2 3.45Å; N46-H48 PolarHBondContact O-N 2.83Å; N46-H48 VanDerWaalsContact O-N 3.15Å
47N78.4Confident81.2Confident54 Ų5475.8 Ų75.829%0.28941%0.408SS..  trans-80.399.2178.1-169.1-13.2000110.2G43 I45 A49 L50 K55G43-N47 WeakPolarHBondContact O-CB 3.35Å; G43-N47 PolarHBondContact O-ND2 2.97Å; I45-N47 VanDerWaalsContact C-N 3.3Å; I45-N47 PolarHBondContact O-N 2.93Å; N47-A49 PolarHBondContact O-N 3.18Å; N47-A49 WeakPolarHBondContact OD1-CB 3.45Å; N47-A49 PolarHBondContact OD1-N 3.27Å; N47-A49 VanDerWaalsContact OD1-N 3.14Å; N47-L50 HydrophobicContact CB-CD1 4.13Å; N47-L50 HydrophobicContact CB-CG 4.45Å; N47-L50 WeakPolarHBondContact ND2-CD1 3.4Å; N47-K55 WeakPolarHBondContact O-CE 3.33Å; N47-K55 PolarHBondContact O-NZ 3.42Å
48H77.7Confident81.4Confident175 Ų17575.6 Ų75.681%0.8141%0.405SS*.THydrogen-bonded Turntrans-73.4-9.1-179.4-62.8-70000114N46N46-H48 PolarHBondContact O-CD2 3.45Å; N46-H48 PolarHBondContact O-N 2.83Å; N46-H48 VanDerWaalsContact O-N 3.15Å
49A79.9Confident81.7Confident88 Ų8875.3 Ų75.373%0.72741%0.406SS*.THydrogen-bonded Turntrans-81.9-18.1178.600000113.5N47N47-A49 PolarHBondContact O-N 3.18Å; N47-A49 WeakPolarHBondContact OD1-CB 3.45Å; N47-A49 PolarHBondContact OD1-N 3.27Å; N47-A49 VanDerWaalsContact OD1-N 3.14Å
50L78.6Confident82Confident41 Ų4174.6 Ų74.622%0.21541%0.413CS..SBendtrans-92.4138.4-178.3-64.6172.8000111.3G43 N47 E54 K55G43-L50 WeakPolarHBondContact O-CD1 3.32Å; N47-L50 HydrophobicContact CB-CD1 4.13Å; N47-L50 HydrophobicContact CB-CG 4.45Å; N47-L50 WeakPolarHBondContact ND2-CD1 3.4Å; L50-E54 HydrophobicContact CB-CB 4.32Å; L50-E54 HydrophobicContact CD2-CB 4.17Å; L50-K55 HydrophobicContact CB-CG 3.77Å; L50-K55 HydrophobicContact CD1-CG 4.35Å; L50-K55 WeakPolarHBondContact O-CE 3.29Å
51T83.2Confident82.4Confident79 Ų7977.4 Ų77.449%0.48542%0.424SS..  trans-66.6158.9168.261.70000111.1D53 E54 K55T51-D53 PolarHBondContact O-N 2.9Å; T51-E54 PolarHBondContact N-OE2 3.26Å; T51-E54 PolarHBondContact O-N 2.91Å; T51-E54 WeakPolarHBondContact OG1-CB 3.39Å; T51-E54 WeakPolarHBondContact OG1-CG 3.38Å; T51-E54 PolarHBondContact OG1-N 3.42Å; T51-E54 PolarHBondContact OG1-OE2 3.14Å; T51-K55 WeakPolarHBondContact O-CG 3.42Å; T51-K55 PolarHBondContact O-N 2.7Å
52T82.5Confident82.8Confident110 Ų11076 Ų7668%0.67542%0.42SS*.Hα-helixtrans-55.9-39.9177.9-48.80000111.8K55 V56T52-K55 WeakPolarHBondContact O-CB 3.21Å; T52-K55 PolarHBondContact O-N 3.35Å; T52-V56 WeakPolarHBondContact O-CG2 3.38Å; T52-V56 PolarHBondContact O-N 3.18Å
53D83.1Confident83.2Confident133 Ų13376.9 Ų76.971%0.71142%0.424SS*.Hα-helixtrans-68.6-41.5-179.9-65.5-23.9000111.8T51 K55 V56 H57T51-D53 PolarHBondContact O-N 2.9Å; D53-K55 VanDerWaalsContact C-N 3.33Å; D53-K55 PolarHBondContact O-N 3.48Å; D53-V56 PolarHBondContact O-N 2.97Å; D53-H57 WeakPolarHBondContact O-CB 3.44Å; D53-H57 PolarHBondContact O-N 2.88Å
54E85.4Confident84Confident86 Ų8677.8 Ų77.840%0.40243%0.433SS..Hα-helixtrans-63.4-39.8173.8-72.6165.4152.200111.6L50 T51 H57 H58L50-E54 HydrophobicContact CB-CB 4.32Å; L50-E54 HydrophobicContact CD2-CB 4.17Å; T51-E54 PolarHBondContact N-OE2 3.26Å; T51-E54 PolarHBondContact O-N 2.91Å; T51-E54 WeakPolarHBondContact OG1-CB 3.39Å; T51-E54 WeakPolarHBondContact OG1-CG 3.38Å; T51-E54 PolarHBondContact OG1-N 3.42Å; T51-E54 PolarHBondContact OG1-OE2 3.14Å; E54-H57 PolarHBondContact O-N 2.75Å; E54-H58 WeakPolarHBondContact O-CB 3.44Å; E54-H58 PolarHBondContact O-CD2 3.3Å; E54-H58 PolarHBondContact O-N 2.97Å
55K84.7Confident84.5Confident45 Ų4582.1 Ų82.120%0.19646%0.455CS..Hα-helixtrans-59.7-48.8175-73-178.2-177.7-160.90111.5V44 I45 N47 L50 T51 T52 D53 H57 L59V44-K55 HydrophobicContact CG1-CB 3.64Å; V44-K55 HydrophobicContact CG1-CG 3.99Å; V44-K55 WeakPolarHBondContact CG1-O 3.38Å; V44-K55 WeakPolarHBondContact O-CD 3.49Å; V44-K55 WeakPolarHBondContact O-CE 3.29Å; V44-K55 WeakPolarHBondContact O-CG 3.42Å; V44-K55 PolarHBondContact O-NZ 3.39Å; I45-K55 PolarHBondContact O-NZ 3.29Å; N47-K55 WeakPolarHBondContact O-CE 3.33Å; N47-K55 PolarHBondContact O-NZ 3.42Å; L50-K55 HydrophobicContact CB-CG 3.77Å; L50-K55 HydrophobicContact CD1-CG 4.35Å; L50-K55 WeakPolarHBondContact O-CE 3.29Å; T51-K55 WeakPolarHBondContact O-CG 3.42Å; T51-K55 PolarHBondContact O-N 2.7Å; T52-K55 WeakPolarHBondContact O-CB 3.21Å; T52-K55 PolarHBondContact O-N 3.35Å; D53-K55 VanDerWaalsContact C-N 3.33Å; D53-K55 PolarHBondContact O-N 3.48Å; K55-H57 VanDerWaalsContact C-N 3.32Å; K55-H57 PolarHBondContact O-N 3.17Å; K55-L59 VanDerWaalsContact O-CB 3.3Å; K55-L59 WeakPolarHBondContact O-CB 3.42Å; K55-L59 PolarHBondContact O-N 3.1Å
56V85.8Confident84.9Confident82 Ų8278 Ų7850%0.49744%0.436SS..Hα-helixtrans-62.8-41.1177.8172.40000110.6T52 D53 L59 T60T52-V56 WeakPolarHBondContact O-CG2 3.38Å; T52-V56 PolarHBondContact O-N 3.18Å; D53-V56 PolarHBondContact O-N 2.97Å; V56-L59 PolarHBondContact O-N 3.21Å; V56-T60 VanDerWaalsContact O-CB 3.31Å; V56-T60 WeakPolarHBondContact O-CB 3.48Å; V56-T60 PolarHBondContact O-N 2.91Å; V56-T60 PolarHBondContact O-OG1 2.81Å
57H87.9Confident85.5Confident114 Ų11478.8 Ų78.853%0.52844%0.44SS..Hα-helixtrans-63.1-51.5178.6-175.768.8000112.3D53 E54 K55 L59 T60 I61D53-H57 WeakPolarHBondContact O-CB 3.44Å; D53-H57 PolarHBondContact O-N 2.88Å; E54-H57 PolarHBondContact O-N 2.75Å; K55-H57 VanDerWaalsContact C-N 3.32Å; K55-H57 PolarHBondContact O-N 3.17Å; H57-L59 VanDerWaalsContact C-N 3.32Å; H57-L59 PolarHBondContact O-N 3.25Å; H57-T60 PolarHBondContact O-N 2.79Å; H57-I61 VanDerWaalsContact NE2-CD1 3.29Å; H57-I61 WeakPolarHBondContact NE2-CD1 3.48Å; H57-I61 WeakPolarHBondContact O-CG1 3.28Å; H57-I61 PolarHBondContact O-N 3.39Å
58H86.5Confident86.2Confident69 Ų6982 Ų8232%0.31945%0.452SS..Hα-helixtrans-59.5-41.7177-80.4-63.7000112.4V44 E54 A62V44-H58 HydrophobicContact CG2-CB 4.29Å; E54-H58 WeakPolarHBondContact O-CB 3.44Å; E54-H58 PolarHBondContact O-CD2 3.3Å; E54-H58 PolarHBondContact O-N 2.97Å; H58-A62 WeakPolarHBondContact O-CB 3.26Å; H58-A62 PolarHBondContact O-N 2.84Å
59L87Confident86.8Confident60 Ų6075.5 Ų75.531%0.31442%0.423SS..Hα-helixtrans-64.8-44176.4-175.563.9000111.8A40 V44 K55 V56 H57 I61 A62 I63A40-L59 HydrophobicContact CB-CD1 4.24Å; V44-L59 HydrophobicContact CG1-CB 4.36Å; K55-L59 VanDerWaalsContact O-CB 3.3Å; K55-L59 WeakPolarHBondContact O-CB 3.42Å; K55-L59 PolarHBondContact O-N 3.1Å; V56-L59 PolarHBondContact O-N 3.21Å; H57-L59 VanDerWaalsContact C-N 3.32Å; H57-L59 PolarHBondContact O-N 3.25Å; L59-I61 VanDerWaalsContact C-N 3.34Å; L59-I61 PolarHBondContact O-N 3.25Å; L59-A62 PolarHBondContact O-N 2.85Å; L59-I63 HydrophobicContact CD1-CD1 3.9Å; L59-I63 HydrophobicContact CD1-CG1 4.2Å; L59-I63 HydrophobicContact CD2-CD1 4.38Å; L59-I63 HydrophobicContact CG-CD1 3.77Å; L59-I63 HydrophobicContact CG-CG1 4.38Å; L59-I63 WeakPolarHBondContact O-CB 3.2Å; L59-I63 WeakPolarHBondContact O-CG1 3.34Å; L59-I63 PolarHBondContact O-N 3.04Å
60T88.8Confident87.3Confident87 Ų8773.8 Ų73.853%0.53440%0.399SS..Hα-helixtrans-62.3-41.9179.9-57.90000111.1V56 H57 G64V56-T60 VanDerWaalsContact O-CB 3.31Å; V56-T60 WeakPolarHBondContact O-CB 3.48Å; V56-T60 PolarHBondContact O-N 2.91Å; V56-T60 PolarHBondContact O-OG1 2.81Å; H57-T60 PolarHBondContact O-N 2.79Å; T60-G64 PolarHBondContact O-N 3.24Å
61I89.9Confident87.9Confident78 Ų7876.3 Ų76.340%0.442%0.416SS..Hα-helixtrans-62.9-48.7174.7-69.4172.7000110.8H57 L59 I63 G64 I65H57-I61 VanDerWaalsContact NE2-CD1 3.29Å; H57-I61 WeakPolarHBondContact NE2-CD1 3.48Å; H57-I61 WeakPolarHBondContact O-CG1 3.28Å; H57-I61 PolarHBondContact O-N 3.39Å; L59-I61 VanDerWaalsContact C-N 3.34Å; L59-I61 PolarHBondContact O-N 3.25Å; I61-I63 PolarHBondContact O-N 3.47Å; I61-G64 PolarHBondContact O-N 3.04Å; I61-I65 HydrophobicContact CG2-CD1 3.77Å; I61-I65 HydrophobicContact CG2-CG1 4.43Å; I61-I65 WeakPolarHBondContact O-CG1 3.3Å; I61-I65 PolarHBondContact O-N 3.45Å
62A87.2Confident88.3Confident19 Ų1977.1 Ų77.116%0.15742%0.416CS..Hα-helixtrans-61-43.8-179.300000112.2Y39 H58 L59 A66Y39-A62 HydrophobicContact CD1-CB 4.23Å; Y39-A62 HydrophobicContact CE1-CB 4.05Å; H58-A62 WeakPolarHBondContact O-CB 3.26Å; H58-A62 PolarHBondContact O-N 2.84Å; L59-A62 PolarHBondContact O-N 2.85Å; A62-A66 WeakPolarHBondContact O-CB 3.44Å; A62-A66 PolarHBondContact O-N 3.16Å
63I88.3Confident88.8Confident75 Ų7574.4 Ų74.439%0.38540%0.399SS..Hα-helixtrans-66.5-42.3175.7-67.8175000110.8L59 I61 I65 A66 L67L59-I63 HydrophobicContact CD1-CD1 3.9Å; L59-I63 HydrophobicContact CD1-CG1 4.2Å; L59-I63 HydrophobicContact CD2-CD1 4.38Å; L59-I63 HydrophobicContact CG-CD1 3.77Å; L59-I63 HydrophobicContact CG-CG1 4.38Å; L59-I63 WeakPolarHBondContact O-CB 3.2Å; L59-I63 WeakPolarHBondContact O-CG1 3.34Å; L59-I63 PolarHBondContact O-N 3.04Å; I61-I63 PolarHBondContact O-N 3.47Å; I63-I65 PolarHBondContact O-N 3.15Å; I63-A66 PolarHBondContact O-N 2.88Å; I63-L67 HydrophobicContact CG2-CD1 3.89Å; I63-L67 HydrophobicContact CG2-CG 4.16Å; I63-L67 WeakPolarHBondContact O-CB 3.42Å; I63-L67 WeakPolarHBondContact O-CG 3.4Å; I63-L67 PolarHBondContact O-N 2.78Å
64G91.2Very high89.1Confident38 Ų3872.7 Ų72.739%0.39238%0.383SS..Hα-helixtrans-59.5-44.7177.200000112.5T60 I61 L67 F68T60-G64 PolarHBondContact O-N 3.24Å; I61-G64 PolarHBondContact O-N 3.04Å; G64-L67 PolarHBondContact O-N 2.95Å; G64-F68 WeakPolarHBondContact O-CB 3.49Å; G64-F68 PolarHBondContact O-N 3.09Å
65I90.6Very high89.4Confident98 Ų9871.9 Ų71.950%0.50339%0.385SS..Hα-helixtrans-62.6-45.5174.2-67.6168.4000110.6I61 I63 F68 I69I61-I65 HydrophobicContact CG2-CD1 3.77Å; I61-I65 HydrophobicContact CG2-CG1 4.43Å; I61-I65 WeakPolarHBondContact O-CG1 3.3Å; I61-I65 PolarHBondContact O-N 3.45Å; I63-I65 PolarHBondContact O-N 3.15Å; I65-F68 PolarHBondContact O-N 3.49Å; I65-I69 HydrophobicContact CG2-CD1 3.84Å; I65-I69 VanDerWaalsContact O-CG1 3.32Å; I65-I69 WeakPolarHBondContact O-CG1 3.38Å; I65-I69 PolarHBondContact O-N 3.48Å
66A88.8Confident89.9Confident21 Ų2173 Ų7317%0.17440%0.397CS..Hα-helixtrans-62.4-47.3178.600000111.9L36 A62 I63 F68 I69 F70L36-A66 HydrophobicContact CD1-CB 3.49Å; L36-A66 VanDerWaalsContact CD1-CB 3.49Å; A62-A66 WeakPolarHBondContact O-CB 3.44Å; A62-A66 PolarHBondContact O-N 3.16Å; I63-A66 PolarHBondContact O-N 2.88Å; A66-F68 VanDerWaalsContact C-N 3.33Å; A66-F68 PolarHBondContact O-N 2.91Å; A66-I69 PolarHBondContact O-N 2.78Å; A66-F70 WeakPolarHBondContact O-CB 3.22Å; A66-F70 VanDerWaalsContact O-CD2 3.28Å; A66-F70 WeakPolarHBondContact O-CD2 3.37Å; A66-F70 PolarHBondContact O-N 2.8Å
67L90.3Very high90.2Very high103 Ų10370.4 Ų70.454%0.53938%0.38SS..Hα-helixtrans-58.9-44.2176.3-74.9175.5000111.3I63 G64 I69 F70 V71I63-L67 HydrophobicContact CG2-CD1 3.89Å; I63-L67 HydrophobicContact CG2-CG 4.16Å; I63-L67 WeakPolarHBondContact O-CB 3.42Å; I63-L67 WeakPolarHBondContact O-CG 3.4Å; I63-L67 PolarHBondContact O-N 2.78Å; G64-L67 PolarHBondContact O-N 2.95Å; L67-I69 PolarHBondContact O-N 2.7Å; L67-F70 PolarHBondContact O-N 3.03Å; L67-V71 WeakPolarHBondContact O-CB 3.44Å; L67-V71 VanDerWaalsContact O-CG2 3.29Å; L67-V71 WeakPolarHBondContact O-CG2 3.45Å; L67-V71 PolarHBondContact O-N 2.94Å
68F92.6Very high90.3Very high122 Ų12267.2 Ų67.254%0.53537%0.366SS..Hα-helixtrans-58-47.1175-179.8-97.1000111.8G64 I65 A66 I72 V73G64-F68 WeakPolarHBondContact O-CB 3.49Å; G64-F68 PolarHBondContact O-N 3.09Å; I65-F68 PolarHBondContact O-N 3.49Å; A66-F68 VanDerWaalsContact C-N 3.33Å; A66-F68 PolarHBondContact O-N 2.91Å; F68-I72 HydrophobicContact CD2-CB 4.06Å; F68-I72 HydrophobicContact CD2-CG1 3.78Å; F68-I72 HydrophobicContact CE2-CB 3.99Å; F68-I72 HydrophobicContact CE2-CG1 4.01Å; F68-I72 HydrophobicContact CE2-CG2 3.94Å; F68-I72 HydrophobicContact CZ-CB 4.42Å; F68-I72 HydrophobicContact CZ-CG2 4.2Å; F68-I72 WeakPolarHBondContact O-CA 3.32Å; F68-I72 VanDerWaalsContact O-CB 3.23Å; F68-I72 WeakPolarHBondContact O-CB 3.21Å; F68-I72 PolarHBondContact O-N 2.9Å; F68-V73 HydrophobicContact CD1-CG2 4.07Å; F68-V73 HydrophobicContact CE1-CG2 3.7Å; F68-V73 HydrophobicContact CZ-CG2 4.4Å; F68-V73 PolarHBondContact O-N 2.94Å
69I90.6Very high90.6Very high37 Ų3770.7 Ų70.719%0.1938%0.38CS..Iπ-helixtrans-63.7-46.2178.9-67168.9000111.3I29 L32 I65 A66 L67 V73 R74I29-I69 HydrophobicContact CB-CG2 4.34Å; I29-I69 HydrophobicContact CD1-CG2 4.2Å; I29-I69 HydrophobicContact CG1-CG2 3.92Å; I29-I69 HydrophobicContact CG2-CG2 3.59Å; L32-I69 HydrophobicContact CD1-CD1 4.12Å; I65-I69 HydrophobicContact CG2-CD1 3.84Å; I65-I69 VanDerWaalsContact O-CG1 3.32Å; I65-I69 WeakPolarHBondContact O-CG1 3.38Å; I65-I69 PolarHBondContact O-N 3.48Å; A66-I69 PolarHBondContact O-N 2.78Å; L67-I69 PolarHBondContact O-N 2.7Å; I69-V73 WeakPolarHBondContact O-CB 3.49Å; I69-V73 PolarHBondContact O-N 2.86Å; I69-R74 WeakPolarHBondContact O-CB 3.15Å; I69-R74 PolarHBondContact O-N 2.58Å
70F89.5Confident91Very high52 Ų5271.6 Ų71.623%0.22838%0.384CS..Iπ-helixtrans-75.9-31.6-175.1-84.3-82.7000113.9I29 I33 A66 L67I29-F70 HydrophobicContact CG2-CD1 4.16Å; I29-F70 HydrophobicContact CG2-CD2 4.45Å; I29-F70 HydrophobicContact CG2-CE1 3.77Å; I29-F70 HydrophobicContact CG2-CE2 4.07Å; I29-F70 HydrophobicContact CG2-CG 4.48Å; I29-F70 HydrophobicContact CG2-CZ 3.7Å; I33-F70 HydrophobicContact CD1-CE1 4.11Å; I33-F70 HydrophobicContact CD1-CE2 4.28Å; I33-F70 HydrophobicContact CD1-CZ 3.57Å; I33-F70 HydrophobicContact CG1-CE2 3.97Å; I33-F70 HydrophobicContact CG1-CZ 3.63Å; A66-F70 WeakPolarHBondContact O-CB 3.22Å; A66-F70 VanDerWaalsContact O-CD2 3.28Å; A66-F70 WeakPolarHBondContact O-CD2 3.37Å; A66-F70 PolarHBondContact O-N 2.8Å; L67-F70 PolarHBondContact O-N 3.03Å
71V91.4Very high91Very high95 Ų9568.3 Ų68.358%0.57636%0.362SS*.Iπ-helixtrans-95.9-38.6-175.9179.30000111.9L67 P75L67-V71 WeakPolarHBondContact O-CB 3.44Å; L67-V71 VanDerWaalsContact O-CG2 3.29Å; L67-V71 WeakPolarHBondContact O-CG2 3.45Å; L67-V71 PolarHBondContact O-N 2.94Å; V71-P75 WeakPolarHBondContact O-CD 3.36Å; V71-P75 WeakPolarHBondContact O-CG 3.32Å
72I93.1Very high91.1Very high95 Ų9569.2 Ų69.249%0.48737%0.365SS..Iπ-helixtrans-99.2-46-175.2-51.5-58.6000111.8F68 P76F68-I72 HydrophobicContact CD2-CB 4.06Å; F68-I72 HydrophobicContact CD2-CG1 3.78Å; F68-I72 HydrophobicContact CE2-CB 3.99Å; F68-I72 HydrophobicContact CE2-CG1 4.01Å; F68-I72 HydrophobicContact CE2-CG2 3.94Å; F68-I72 HydrophobicContact CZ-CB 4.42Å; F68-I72 HydrophobicContact CZ-CG2 4.2Å; F68-I72 WeakPolarHBondContact O-CA 3.32Å; F68-I72 VanDerWaalsContact O-CB 3.23Å; F68-I72 WeakPolarHBondContact O-CB 3.21Å; F68-I72 PolarHBondContact O-N 2.9Å; I72-P76 WeakPolarHBondContact O-CD 3.26Å; I72-P76 WeakPolarHBondContact O-CG 3.38Å
73V91.4Very high91.5Very high53 Ų5374.7 Ų74.732%0.32138%0.382SS..Iπ-helixtrans-85-42.6-171.2-179.30000112.4I29 F68 I69 P76 I77I29-V73 HydrophobicContact CD1-CG1 4.49Å; F68-V73 HydrophobicContact CD1-CG2 4.07Å; F68-V73 HydrophobicContact CE1-CG2 3.7Å; F68-V73 HydrophobicContact CZ-CG2 4.4Å; F68-V73 PolarHBondContact O-N 2.94Å; I69-V73 WeakPolarHBondContact O-CB 3.49Å; I69-V73 PolarHBondContact O-N 2.86Å; V73-P76 WeakPolarHBondContact O-CD 3.38Å; V73-I77 HydrophobicContact CG1-CD1 3.63Å; V73-I77 WeakPolarHBondContact O-CD1 3.4Å; V73-I77 VanDerWaalsContact O-CG1 3.29Å; V73-I77 WeakPolarHBondContact O-CG1 3.4Å
74R89.4Confident91.7Very high97 Ų9772.9 Ų72.937%0.36637%0.373SS..Hα-helixtrans-65.2-46.3-174.2-175-173.7176-1501.1114.1I29 I69 I77 E78I29-R74 HydrophobicContact CD1-CB 4.06Å; I29-R74 HydrophobicContact CD1-CG 4.35Å; I69-R74 WeakPolarHBondContact O-CB 3.15Å; I69-R74 PolarHBondContact O-N 2.58Å; R74-I77 PolarHBondContact O-N 2.74Å; R74-E78 PolarHBondContact O-N 3.12Å
75P93.1Very high91.7Very high69 Ų6971.2 Ų71.245%0.44836%0.356SS..Hα-helixtrans-63.7-43.3-174.3-21.333.5000114.8V71 I77 E78 F79V71-P75 WeakPolarHBondContact O-CD 3.36Å; V71-P75 WeakPolarHBondContact O-CG 3.32Å; P75-I77 VanDerWaalsContact C-N 3.33Å; P75-I77 PolarHBondContact O-N 3.12Å; P75-E78 WeakPolarHBondContact O-CB 3.4Å; P75-E78 PolarHBondContact O-N 2.83Å; P75-F79 PolarHBondContact O-N 2.73Å
76P94.3Very high91.9Very high69 Ų6969.9 Ų69.945%0.44835%0.347SS..Hα-helixtrans-60-40.3174.2-25.634.9000113.2I72 V73 F79 I80I72-P76 WeakPolarHBondContact O-CD 3.26Å; I72-P76 WeakPolarHBondContact O-CG 3.38Å; V73-P76 WeakPolarHBondContact O-CD 3.38Å; P76-F79 PolarHBondContact O-N 2.94Å; P76-I80 WeakPolarHBondContact O-CB 3.46Å; P76-I80 VanDerWaalsContact O-CG1 3.25Å; P76-I80 WeakPolarHBondContact O-CG1 3.28Å; P76-I80 PolarHBondContact O-N 2.95Å
77I91.7Very high92.2Very high27 Ų2772 Ų7214%0.13835%0.351CS..Hα-helixtrans-64.5-43.6177.6-64.4174.4000110.3V22 I25 K26 I29 V73 R74 P75 I80 R81V22-I77 HydrophobicContact CG1-CG2 3.65Å; V22-I77 WeakPolarHBondContact CG1-O 3.35Å; V22-I77 WeakPolarHBondContact O-CG2 3.24Å; I25-I77 HydrophobicContact CG2-CD1 3.75Å; K26-I77 HydrophobicContact CB-CG2 3.83Å; I29-I77 HydrophobicContact CD1-CD1 4.17Å; V73-I77 HydrophobicContact CG1-CD1 3.63Å; V73-I77 WeakPolarHBondContact O-CD1 3.4Å; V73-I77 VanDerWaalsContact O-CG1 3.29Å; V73-I77 WeakPolarHBondContact O-CG1 3.4Å; R74-I77 PolarHBondContact O-N 2.74Å; P75-I77 VanDerWaalsContact C-N 3.33Å; P75-I77 PolarHBondContact O-N 3.12Å; I77-I80 PolarHBondContact O-N 3.35Å; I77-R81 WeakPolarHBondContact O-CB 3.37Å; I77-R81 PolarHBondContact O-N 2.84Å
78E90.4Very high92.4Very high48 Ų4867 Ų6722%0.22433%0.325CS..Hα-helixtrans-58.7-48.1174.6-174.966.8-123.500111.4K26 R74 P75 R81 Q82K26-E78 WeakPolarHBondContact CD-OE2 3.36Å; K26-E78 WeakPolarHBondContact CE-OE2 3.2Å; K26-E78 IonicContact NZ-OE1 3.45Å; K26-E78 PolarHBondContact NZ-OE1 3.05Å; K26-E78 IonicContact NZ-OE2 3.83Å; K26-E78 PolarHBondContact NZ-OE2 2.83Å; R74-E78 PolarHBondContact O-N 3.12Å; P75-E78 WeakPolarHBondContact O-CB 3.4Å; P75-E78 PolarHBondContact O-N 2.83Å; E78-R81 PolarHBondContact O-N 2.96Å; E78-R81 IonicContact OE1-CZ 3.25Å; E78-R81 IonicContact OE1-NE 2.69Å; E78-R81 PolarHBondContact OE1-NE 3.47Å; E78-R81 IonicContact OE1-NH2 2.71Å; E78-R81 PolarHBondContact OE1-NH2 2.84Å; E78-Q82 WeakPolarHBondContact O-CB 3.36Å; E78-Q82 PolarHBondContact O-N 3.18Å
79F94Very high92.5Very high141 Ų14161.2 Ų61.262%0.61830%0.3SS*.Hα-helixtrans-59-51.8179.2174.5-94.3000111.5P75 P76 R81 Q82 Y83P75-F79 PolarHBondContact O-N 2.73Å; P76-F79 PolarHBondContact O-N 2.94Å; F79-R81 VanDerWaalsContact C-N 3.32Å; F79-R81 PolarHBondContact O-N 3.09Å; F79-Q82 PolarHBondContact O-N 2.79Å; F79-Y83 VanDerWaalsContact O-CB 3.26Å; F79-Y83 WeakPolarHBondContact O-CB 3.4Å; F79-Y83 PolarHBondContact O-N 3.25Å
80I93.6Very high92.7Very high79 Ų7962.7 Ų62.741%0.40531%0.308SS..Hα-helixtrans-58.3-46.6-179.8-69165.6000110.1V22 P76 I77 Y83 L84V22-I80 HydrophobicContact CG1-CB 4.43Å; V22-I80 HydrophobicContact CG1-CG2 4.23Å; V22-I80 HydrophobicContact CG2-CG2 4.31Å; P76-I80 WeakPolarHBondContact O-CB 3.46Å; P76-I80 VanDerWaalsContact O-CG1 3.25Å; P76-I80 WeakPolarHBondContact O-CG1 3.28Å; P76-I80 PolarHBondContact O-N 2.95Å; I77-I80 PolarHBondContact O-N 3.35Å; I80-Y83 PolarHBondContact O-N 2.8Å; I80-L84 HydrophobicContact CG2-CD1 3.68Å; I80-L84 HydrophobicContact CG2-CG 4.21Å; I80-L84 VanDerWaalsContact O-CB 3.31Å; I80-L84 WeakPolarHBondContact O-CB 3.47Å; I80-L84 WeakPolarHBondContact O-CG 3.27Å; I80-L84 PolarHBondContact O-N 3.29Å
81R90.5Very high93Very high18 Ų1864.1 Ų64.17%0.06831%0.314CS..Hα-helixtrans-59.3-50.9178.1-172.3-163.871.397.16.5111.3T19 V22 K26 I77 E78 F79 L84 A85 N141T19-R81 HydrophobicContact CG2-CG 4.05Å; V22-R81 HydrophobicContact CG1-CB 3.85Å; K26-R81 VanDerWaalsContact NZ-NH2 3.15Å; I77-R81 WeakPolarHBondContact O-CB 3.37Å; I77-R81 PolarHBondContact O-N 2.84Å; E78-R81 PolarHBondContact O-N 2.96Å; E78-R81 IonicContact OE1-CZ 3.25Å; E78-R81 IonicContact OE1-NE 2.69Å; E78-R81 PolarHBondContact OE1-NE 3.47Å; E78-R81 IonicContact OE1-NH2 2.71Å; E78-R81 PolarHBondContact OE1-NH2 2.84Å; F79-R81 VanDerWaalsContact C-N 3.32Å; F79-R81 PolarHBondContact O-N 3.09Å; R81-L84 PolarHBondContact O-N 2.77Å; R81-A85 WeakPolarHBondContact O-CB 3.42Å; R81-A85 PolarHBondContact O-N 3.17Å; R81-N141 PolarHBondContact NH1-OD1 3.49Å
82Q91.6Very high93.2Very high98 Ų9859.6 Ų59.646%0.45829%0.287SS..Hα-helixtrans-65.2-41.5-176.1-171.264.222.400111.3E78 F79 Q86E78-Q82 WeakPolarHBondContact O-CB 3.36Å; E78-Q82 PolarHBondContact O-N 3.18Å; F79-Q82 PolarHBondContact O-N 2.79Å; Q82-Q86 WeakPolarHBondContact O-CB 3.49Å; Q82-Q86 PolarHBondContact O-N 3.32Å
83Y94.1Very high93.3Very high133 Ų13355.5 Ų55.552%0.52227%0.265SS..Hα-helixtrans-64.6-50.2176.9-179-102.6000111.7F79 I80 A85 Q86 W87F79-Y83 VanDerWaalsContact O-CB 3.26Å; F79-Y83 WeakPolarHBondContact O-CB 3.4Å; F79-Y83 PolarHBondContact O-N 3.25Å; I80-Y83 PolarHBondContact O-N 2.8Å; Y83-A85 VanDerWaalsContact C-N 3.34Å; Y83-A85 PolarHBondContact O-N 3.2Å; Y83-Q86 PolarHBondContact O-N 2.69Å; Y83-W87 WeakPolarHBondContact O-CB 3.37Å; Y83-W87 PolarHBondContact O-N 2.98Å
84L92.7Very high93.5Very high37 Ų3759.1 Ų59.119%0.19427%0.274CS..Hα-helixtrans-62.6-40.4179.1-70.6177.4000112.3T19 I80 R81 T88T19-L84 WeakPolarHBondContact OG1-CB 3.26Å; I80-L84 HydrophobicContact CG2-CD1 3.68Å; I80-L84 HydrophobicContact CG2-CG 4.21Å; I80-L84 VanDerWaalsContact O-CB 3.31Å; I80-L84 WeakPolarHBondContact O-CB 3.47Å; I80-L84 WeakPolarHBondContact O-CG 3.27Å; I80-L84 PolarHBondContact O-N 3.29Å; R81-L84 PolarHBondContact O-N 2.77Å; L84-T88 VanDerWaalsContact O-CB 3.24Å; L84-T88 WeakPolarHBondContact O-CB 3.42Å; L84-T88 PolarHBondContact O-N 3.39Å; L84-T88 PolarHBondContact O-OG1 3.37Å
85A92.6Very high93.8Very high4 Ų456.6 Ų56.63%0.03327%0.268CS..Hα-helixtrans-60.2-53.1174.900000111.2T19 R81 Y83 T88 S89 L136 M140T19-A85 HydrophobicContact CG2-CB 4Å; R81-A85 WeakPolarHBondContact O-CB 3.42Å; R81-A85 PolarHBondContact O-N 3.17Å; Y83-A85 VanDerWaalsContact C-N 3.34Å; Y83-A85 PolarHBondContact O-N 3.2Å; A85-T88 PolarHBondContact O-N 3.26Å; A85-S89 WeakPolarHBondContact O-CB 3.29Å; A85-S89 PolarHBondContact O-N 3.29Å; A85-L136 HydrophobicContact CB-CD2 3.92Å; A85-M140 HydrophobicContact CB-CE 4.34Å; A85-M140 HydrophobicContact CB-SD 3.52Å; A85-M140 VanDerWaalsContact CB-SD 3.52Å
86Q94.3Very high93.9Very high69 Ų6953.4 Ų53.432%0.32225%0.247SC..Hα-helixtrans-66.5-42.8-177.1-17467.5-1.900112.4Q82 Y83 S89 N90Q82-Q86 WeakPolarHBondContact O-CB 3.49Å; Q82-Q86 PolarHBondContact O-N 3.32Å; Y83-Q86 PolarHBondContact O-N 2.69Å; Q86-S89 PolarHBondContact O-N 3.06Å; Q86-N90 WeakPolarHBondContact O-CB 3.37Å; Q86-N90 PolarHBondContact O-N 3.16Å; Q86-N90 PolarHBondContact O-ND2 3.29Å
87W94.8Very high94Very high65 Ų6553.8 Ų53.825%0.24624%0.24CC..Hα-helixtrans-59.4-48.2177.1-176.697.9000111.1Y12 R15 Y83 S89 N90 K91Y12-W87 HydrophobicContact CD1-CH2 4.41Å; Y12-W87 AromaticContact CD1-CZ3 3.87Å; Y12-W87 HydrophobicContact CD1-CZ3 3.87Å; Y12-W87 HydrophobicContact CE1-CH2 4.05Å; Y12-W87 AromaticContact CE1-CZ3 3.89Å; Y12-W87 HydrophobicContact CE1-CZ3 3.89Å; R15-W87 VanDerWaalsContact CD-CZ3 3.45Å; Y83-W87 WeakPolarHBondContact O-CB 3.37Å; Y83-W87 PolarHBondContact O-N 2.98Å; W87-S89 VanDerWaalsContact C-N 3.32Å; W87-S89 PolarHBondContact O-N 3.11Å; W87-N90 PolarHBondContact O-N 2.88Å; W87-K91 HydrophobicContact CD2-CG 4.09Å; W87-K91 HydrophobicContact CE3-CG 4.11Å; W87-K91 HydrophobicContact CH2-CB 4.37Å; W87-K91 HydrophobicContact CH2-CD 4.36Å; W87-K91 HydrophobicContact CH2-CG 3.66Å; W87-K91 HydrophobicContact CZ2-CD 4.23Å; W87-K91 HydrophobicContact CZ2-CG 3.71Å; W87-K91 HydrophobicContact CZ3-CB 4.21Å; W87-K91 HydrophobicContact CZ3-CG 3.85Å; W87-K91 PolarHBondContact O-N 2.97Å
88T94.6Very high94.2Very high0 Ų058 Ų580%026%0.257CS..Hα-helixtrans-63.2-43.4-178.8-59.90000110.7Y12 I16 L84 A85 K91 I92Y12-T88 HydrophobicContact CG-CG2 4.25Å; I16-T88 HydrophobicContact CD1-CG2 4.25Å; I16-T88 HydrophobicContact CG1-CG2 3.84Å; L84-T88 VanDerWaalsContact O-CB 3.24Å; L84-T88 WeakPolarHBondContact O-CB 3.42Å; L84-T88 PolarHBondContact O-N 3.39Å; L84-T88 PolarHBondContact O-OG1 3.37Å; A85-T88 PolarHBondContact O-N 3.26Å; T88-K91 PolarHBondContact O-N 2.81Å; T88-I92 HydrophobicContact CG2-CD1 3.95Å; T88-I92 WeakPolarHBondContact O-CG1 3.42Å; T88-I92 PolarHBondContact O-N 3.17Å; T88-I92 VanDerWaalsContact O-N 3.09Å
89S94.2Very high94.4Very high0 Ų060.4 Ų60.40%027%0.267CS..Hα-helixtrans-65-42.9179.7-148.40000113.1A85 Q86 W87 K91 I92 L93 K132A85-S89 WeakPolarHBondContact O-CB 3.29Å; A85-S89 PolarHBondContact O-N 3.29Å; Q86-S89 PolarHBondContact O-N 3.06Å; W87-S89 VanDerWaalsContact C-N 3.32Å; W87-S89 PolarHBondContact O-N 3.11Å; S89-K91 PolarHBondContact O-N 2.9Å; S89-I92 PolarHBondContact O-N 3.01Å; S89-L93 WeakPolarHBondContact O-CB 3.15Å; S89-L93 PolarHBondContact O-N 2.88Å; S89-L93 VanDerWaalsContact O-N 3.09Å; S89-K132 WeakPolarHBondContact OG-CG 3.18Å; S89-K132 PolarHBondContact OG-O 3.16Å
90N95.5Very high94.5Very high68 Ų6853.7 Ų53.736%0.36424%0.237SC..Hα-helixtrans-65.6-34.6174.9-76.1-18.7000113.2Q86 W87 L93 Y94 K132Q86-N90 WeakPolarHBondContact O-CB 3.37Å; Q86-N90 PolarHBondContact O-N 3.16Å; Q86-N90 PolarHBondContact O-ND2 3.29Å; W87-N90 PolarHBondContact O-N 2.88Å; N90-L93 WeakPolarHBondContact O-CB 3.48Å; N90-L93 PolarHBondContact O-N 2.85Å; N90-Y94 PolarHBondContact O-N 3.38Å; N90-K132 WeakPolarHBondContact OD1-CE 3.46Å; N90-K132 PolarHBondContact OD1-NZ 3.31Å
91K95.7Very high94.6Very high82 Ų8256.6 Ų56.636%0.35724%0.244SC..Hα-helixtrans-71.1-40.6178.1-81.1-71-174.5-175.30112.8Y12 W87 T88 S89 L93 Y94 D95Y12-K91 HydrophobicContact CE1-CB 3.82Å; Y12-K91 HydrophobicContact CE1-CG 4.49Å; W87-K91 HydrophobicContact CD2-CG 4.09Å; W87-K91 HydrophobicContact CE3-CG 4.11Å; W87-K91 HydrophobicContact CH2-CB 4.37Å; W87-K91 HydrophobicContact CH2-CD 4.36Å; W87-K91 HydrophobicContact CH2-CG 3.66Å; W87-K91 HydrophobicContact CZ2-CD 4.23Å; W87-K91 HydrophobicContact CZ2-CG 3.71Å; W87-K91 HydrophobicContact CZ3-CB 4.21Å; W87-K91 HydrophobicContact CZ3-CG 3.85Å; W87-K91 PolarHBondContact O-N 2.97Å; T88-K91 PolarHBondContact O-N 2.81Å; S89-K91 PolarHBondContact O-N 2.9Å; K91-L93 VanDerWaalsContact C-N 3.3Å; K91-L93 PolarHBondContact O-N 3.32Å; K91-Y94 WeakPolarHBondContact O-CB 3.47Å; K91-Y94 PolarHBondContact O-N 2.69Å; K91-D95 PolarHBondContact O-N 3.17Å
92I95.3Very high94.6Very high0 Ų059.7 Ų59.70%026%0.262CS..Hα-helixtrans-62.9-41.5173.6-69163.3000110.5Y5 F8 V9 Y12 T88 S89 Y94 D95 I96 I135Y5-I92 HydrophobicContact CE1-CG2 4.48Å; F8-I92 HydrophobicContact CB-CG2 4Å; V9-I92 HydrophobicContact CB-CD1 4.42Å; V9-I92 HydrophobicContact CG1-CD1 4.45Å; V9-I92 HydrophobicContact CG2-CD1 4.14Å; Y12-I92 HydrophobicContact CD2-CD1 3.91Å; Y12-I92 HydrophobicContact CD2-CG1 3.38Å; Y12-I92 HydrophobicContact CE2-CG1 3.63Å; Y12-I92 HydrophobicContact CG-CD1 4.41Å; Y12-I92 HydrophobicContact CG-CG1 4.21Å; T88-I92 HydrophobicContact CG2-CD1 3.95Å; T88-I92 WeakPolarHBondContact O-CG1 3.42Å; T88-I92 PolarHBondContact O-N 3.17Å; T88-I92 VanDerWaalsContact O-N 3.09Å; S89-I92 PolarHBondContact O-N 3.01Å; I92-Y94 VanDerWaalsContact C-N 3.34Å; I92-Y94 PolarHBondContact O-N 3.21Å; I92-D95 PolarHBondContact O-N 3.24Å; I92-I96 HydrophobicContact CG2-CD1 3.87Å; I92-I96 HydrophobicContact CG2-CG1 4.44Å; I92-I96 WeakPolarHBondContact O-CG1 3.43Å; I92-I96 PolarHBondContact O-N 2.89Å; I92-I135 HydrophobicContact CB-CD1 3.7Å; I92-I135 HydrophobicContact CD1-CD1 3.45Å; I92-I135 VanDerWaalsContact CD1-CD1 3.45Å; I92-I135 HydrophobicContact CD1-CG1 4.13Å; I92-I135 HydrophobicContact CG1-CD1 4.15Å; I92-I135 HydrophobicContact CG2-CD1 3.71Å
93L94.7Very high94.7Very high8 Ų855.5 Ų55.54%0.04224%0.243CC..Hα-helixtrans-57.4-45.7174.6-170.780.2000112.2S89 N90 K91 D95 I96 R97 V128 E129S89-L93 WeakPolarHBondContact O-CB 3.15Å; S89-L93 PolarHBondContact O-N 2.88Å; S89-L93 VanDerWaalsContact O-N 3.09Å; N90-L93 WeakPolarHBondContact O-CB 3.48Å; N90-L93 PolarHBondContact O-N 2.85Å; K91-L93 VanDerWaalsContact C-N 3.3Å; K91-L93 PolarHBondContact O-N 3.32Å; L93-D95 PolarHBondContact O-N 3.14Å; L93-I96 PolarHBondContact O-N 2.97Å; L93-R97 WeakPolarHBondContact O-CG 3.39Å; L93-R97 PolarHBondContact O-N 3.46Å; L93-V128 VanDerWaalsContact CD1-C 3.4Å; L93-V128 HydrophobicContact CD1-CB 4.26Å; L93-V128 HydrophobicContact CD1-CG1 3.31Å; L93-V128 WeakPolarHBondContact CD1-O 3.47Å; L93-V128 HydrophobicContact CG-CG1 4.05Å; L93-E129 WeakPolarHBondContact CD2-OE2 3.31Å
94Y96Very high94.6Very high130 Ų13050.1 Ų50.151%0.5122%0.223SC..Hα-helixtrans-57.6-46.1175170.2-91.8000111.9N90 K91 I92 I96 R97 K98N90-Y94 PolarHBondContact O-N 3.38Å; K91-Y94 WeakPolarHBondContact O-CB 3.47Å; K91-Y94 PolarHBondContact O-N 2.69Å; I92-Y94 VanDerWaalsContact C-N 3.34Å; I92-Y94 PolarHBondContact O-N 3.21Å; Y94-I96 PolarHBondContact O-N 3.26Å; Y94-R97 PolarHBondContact O-N 2.87Å; Y94-K98 HydrophobicContact CE1-CD 4.5Å; Y94-K98 WeakPolarHBondContact O-CB 3.46Å; Y94-K98 PolarHBondContact O-N 3.33Å
95D95.9Very high94.4Very high44 Ų4454.1 Ų54.124%0.23524%0.24CC..Hα-helixtrans-65-39.2-179.9-66.6-26.5000112.3F8 Y12 K91 I92 L93 K99F8-D95 HydrophobicContact CD1-CB 4.32Å; Y12-D95 VanDerWaalsContact CE2-OD2 3.28Å; Y12-D95 WeakPolarHBondContact CE2-OD2 3.45Å; Y12-D95 PolarHBondContact OH-OD2 3.33Å; K91-D95 PolarHBondContact O-N 3.17Å; I92-D95 PolarHBondContact O-N 3.24Å; L93-D95 PolarHBondContact O-N 3.14Å; D95-K99 PolarHBondContact O-N 3.25Å
96I96.1Very high94.1Very high2 Ų256.2 Ų56.21%0.0126%0.258CS..Hα-helixtrans-65.1-47.4175.8-65.4166.6000110.5Y5 F8 I92 L93 Y94 K98 K99 L100 V128 V314Y5-I96 HydrophobicContact CD2-CD1 4.18Å; Y5-I96 HydrophobicContact CE2-CD1 3.43Å; Y5-I96 VanDerWaalsContact CE2-CD1 3.43Å; F8-I96 HydrophobicContact CB-CG1 4.31Å; F8-I96 HydrophobicContact CD1-CG1 3.72Å; F8-I96 HydrophobicContact CD2-CG1 4.04Å; F8-I96 HydrophobicContact CE1-CG1 3.88Å; F8-I96 HydrophobicContact CE2-CG1 4.19Å; F8-I96 HydrophobicContact CG-CD1 4.45Å; F8-I96 HydrophobicContact CG-CG1 3.78Å; F8-I96 HydrophobicContact CZ-CG1 4.08Å; I92-I96 HydrophobicContact CG2-CD1 3.87Å; I92-I96 HydrophobicContact CG2-CG1 4.44Å; I92-I96 WeakPolarHBondContact O-CG1 3.43Å; I92-I96 PolarHBondContact O-N 2.89Å; L93-I96 PolarHBondContact O-N 2.97Å; Y94-I96 PolarHBondContact O-N 3.26Å; I96-K98 PolarHBondContact O-N 3.2Å; I96-K99 PolarHBondContact O-N 3.48Å; I96-L100 HydrophobicContact CG2-CD1 3.86Å; I96-L100 HydrophobicContact CG2-CG 4.42Å; I96-L100 WeakPolarHBondContact O-CB 3.43Å; I96-L100 WeakPolarHBondContact O-CG 3.31Å; I96-L100 PolarHBondContact O-N 3.22Å; I96-V128 HydrophobicContact CB-CG1 4.15Å; I96-V128 HydrophobicContact CG2-CG1 3.8Å; I96-V128 HydrophobicContact CG2-CG2 3.9Å; I96-V314 HydrophobicContact CG2-CG1 4.18Å
97R96.7Very high93.8Very high77 Ų7753.5 Ų53.529%0.29125%0.245SC..Hα-helixtrans-60.6-43.7177.9-74.5-177.2176.7153.28.3111.6L93 Y94 K99 L100 Y101 I125 V128 E129L93-R97 WeakPolarHBondContact O-CG 3.39Å; L93-R97 PolarHBondContact O-N 3.46Å; Y94-R97 PolarHBondContact O-N 2.87Å; R97-K99 PolarHBondContact O-N 3.32Å; R97-L100 PolarHBondContact O-N 3.01Å; R97-Y101 WeakPolarHBondContact O-CB 3.19Å; R97-Y101 PolarHBondContact O-N 3.35Å; R97-I125 PolarHBondContact NH2-O 3.42Å; R97-V128 HydrophobicContact CG-CG1 3.76Å; R97-E129 IonicContact CZ-OE2 3.95Å; R97-E129 IonicContact NH2-OE2 3.11Å; R97-E129 PolarHBondContact NH2-OE2 3.44Å
98K95.5Very high93.3Very high114 Ų11450.8 Ų50.850%0.49624%0.236SC..Hα-helixtrans-59.6-45.3175.9-174.2176.7-179.11780111.7Y94 I96 Y101 N102Y94-K98 HydrophobicContact CE1-CD 4.5Å; Y94-K98 WeakPolarHBondContact O-CB 3.46Å; Y94-K98 PolarHBondContact O-N 3.33Å; I96-K98 PolarHBondContact O-N 3.2Å; K98-Y101 PolarHBondContact O-N 3.48Å; K98-N102 PolarHBondContact O-N 2.82Å; K98-N102 VanDerWaalsContact O-N 3.13Å; K98-N102 PolarHBondContact O-OD1 3.38Å
99K95Very high92.5Very high99 Ų9952.9 Ų52.943%0.4325%0.254SS..Hα-helixtrans-65.2-44.6178-169.2-175.7-173.91740112F8 D95 I96 R97 Y101 N102 H103F8-K99 HydrophobicContact CE1-CB 4.21Å; F8-K99 HydrophobicContact CE1-CD 3.8Å; F8-K99 HydrophobicContact CZ-CB 4.5Å; F8-K99 HydrophobicContact CZ-CD 3.54Å; D95-K99 PolarHBondContact O-N 3.25Å; I96-K99 PolarHBondContact O-N 3.48Å; R97-K99 PolarHBondContact O-N 3.32Å; K99-Y101 VanDerWaalsContact C-N 3.33Å; K99-N102 PolarHBondContact O-N 2.84Å; K99-H103 WeakPolarHBondContact O-CB 3.49Å; K99-H103 PolarHBondContact O-N 3.48Å
100L95.4Very high92Very high0 Ų055.7 Ų55.70%026%0.264CS..Hα-helixtrans-61-43.2177.4-81.9168.9000111.7I96 R97 H103 L104 V124 V128 V314 L317 I318I96-L100 HydrophobicContact CG2-CD1 3.86Å; I96-L100 HydrophobicContact CG2-CG 4.42Å; I96-L100 WeakPolarHBondContact O-CB 3.43Å; I96-L100 WeakPolarHBondContact O-CG 3.31Å; I96-L100 PolarHBondContact O-N 3.22Å; R97-L100 PolarHBondContact O-N 3.01Å; L100-H103 WeakPolarHBondContact O-CB 3.37Å; L100-H103 PolarHBondContact O-N 3.23Å; L100-L104 WeakPolarHBondContact O-CB 3.01Å; L100-L104 WeakPolarHBondContact O-CG 3.27Å; L100-L104 PolarHBondContact O-N 3.13Å; L100-V124 HydrophobicContact CB-CG2 4.35Å; L100-V124 HydrophobicContact CD1-CG2 4.35Å; L100-V128 HydrophobicContact CD1-CG2 3.33Å; L100-V314 HydrophobicContact CD1-CG1 4.09Å; L100-L317 HydrophobicContact CD2-CB 4.46Å; L100-L317 HydrophobicContact CD2-CD2 3.86Å; L100-L317 HydrophobicContact CD2-CG 4.05Å; L100-I318 HydrophobicContact CD2-CD1 4.1Å; L100-I318 HydrophobicContact CD2-CG1 3.45Å; L100-I318 VanDerWaalsContact CD2-CG1 3.45Å; L100-I318 HydrophobicContact CG-CD1 4.42Å; L100-I318 HydrophobicContact CG-CG1 4.23Å
101Y94.8Very high91.6Very high141 Ų14152.9 Ų52.955%0.55325%0.249SC*.Hα-helixtrans-61.2-47.7178.1-175.6-110.7000111.7R97 K98 K99 H103 L104 Q105R97-Y101 WeakPolarHBondContact O-CB 3.19Å; R97-Y101 PolarHBondContact O-N 3.35Å; K98-Y101 PolarHBondContact O-N 3.48Å; K99-Y101 VanDerWaalsContact C-N 3.33Å; Y101-H103 VanDerWaalsContact C-N 3.26Å; Y101-H103 PolarHBondContact O-N 3.08Å; Y101-L104 PolarHBondContact O-N 2.98Å; Y101-Q105 WeakPolarHBondContact O-CG 3.33Å; Y101-Q105 PolarHBondContact O-N 3.16Å; Y101-Q105 PolarHBondContact OH-NE2 3.48Å
102N92Very high91.2Very high83 Ų8353.3 Ų53.344%0.44425%0.249SC..Hα-helixtrans-61.3-36.4174.7-68.70.1000112.3K98 K99 A106K98-N102 PolarHBondContact O-N 2.82Å; K98-N102 VanDerWaalsContact O-N 3.13Å; K98-N102 PolarHBondContact O-OD1 3.38Å; K99-N102 PolarHBondContact O-N 2.84Å; N102-A106 PolarHBondContact O-N 2.9Å
103H92.3Very high90.6Very high10 Ų1057 Ų575%0.04628%0.279CS..Hα-helixtrans-66.5-45.9176.6-178.667.4000111.5K99 L100 Y101 Q105 A106 L107 L317 I318 E320 Y322K99-H103 WeakPolarHBondContact O-CB 3.49Å; K99-H103 PolarHBondContact O-N 3.48Å; L100-H103 WeakPolarHBondContact O-CB 3.37Å; L100-H103 PolarHBondContact O-N 3.23Å; Y101-H103 VanDerWaalsContact C-N 3.26Å; Y101-H103 PolarHBondContact O-N 3.08Å; H103-Q105 VanDerWaalsContact C-N 3.3Å; H103-Q105 PolarHBondContact O-N 3.11Å; H103-A106 CarbonylContact O-C 3.5Å; H103-A106 WeakPolarHBondContact O-CA 3.4Å; H103-A106 PolarHBondContact O-N 3.17Å; H103-L107 PolarHBondContact O-N 3.49Å; H103-L317 PolarHBondContact CD2-O 3.49Å; H103-L317 PolarHBondContact NE2-O 3.39Å; H103-I318 PolarHBondContact CE1-O 3.27Å; H103-E320 PolarHBondContact CE1-O 3.17Å; H103-E320 PolarHBondContact NE2-O 3.43Å; H103-Y322 AromaticContact CE1-CE1 3.39Å; H103-Y322 WeakPolarHBondContact CE1-CE1 3.43Å; H103-Y322 AromaticContact CE1-CZ 3.66Å; H103-Y322 AromaticContact ND1-CE1 3.15Å; H103-Y322 WeakPolarHBondContact ND1-CE1 2.93Å; H103-Y322 AromaticContact ND1-CZ 3.22Å; H103-Y322 PolarHBondContact ND1-OH 3.29Å
104L93.1Very high90.2Very high20 Ų2061.5 Ų61.511%0.10530%0.303CS..Hα-helixtrans-57.3-41.8175.2-74-178.7000112L100 Y101 A106 L107 F111 Y112 V120 V124 L317L100-L104 WeakPolarHBondContact O-CB 3.01Å; L100-L104 WeakPolarHBondContact O-CG 3.27Å; L100-L104 PolarHBondContact O-N 3.13Å; Y101-L104 PolarHBondContact O-N 2.98Å; L104-A106 PolarHBondContact O-N 3.14Å; L104-L107 HydrophobicContact CD2-CD1 3.89Å; L104-L107 PolarHBondContact O-N 3.46Å; L104-F111 HydrophobicContact CD2-CE1 4.2Å; L104-Y112 VanDerWaalsContact C-OH 3.22Å; L104-Y112 WeakPolarHBondContact CB-OH 3.31Å; L104-Y112 PolarHBondContact O-OH 3.25Å; L104-V120 HydrophobicContact CD1-CG1 3.78Å; L104-V120 HydrophobicContact CD2-CG1 3.55Å; L104-V120 HydrophobicContact CG-CG1 4.34Å; L104-V124 HydrophobicContact CD1-CG2 3.81Å; L104-L317 HydrophobicContact CD2-CD1 4.08Å; L104-L317 HydrophobicContact CD2-CD2 4.36Å
105Q88.9Confident89.8Confident120 Ų12057.4 Ų57.456%0.56129%0.291SS*.Hα-helixtrans-63.5-26175.6-70.8-177.3-10.300113.5Y101 H103Y101-Q105 WeakPolarHBondContact O-CG 3.33Å; Y101-Q105 PolarHBondContact O-N 3.16Å; Y101-Q105 PolarHBondContact OH-NE2 3.48Å; H103-Q105 VanDerWaalsContact C-N 3.3Å; H103-Q105 PolarHBondContact O-N 3.11Å
106A86.2Confident89.5Confident48 Ų4858.2 Ų58.240%0.39729%0.293SS..Hα-helixtrans-91-15178.500000113.3N102 H103 L104 Y322N102-A106 PolarHBondContact O-N 2.9Å; H103-A106 CarbonylContact O-C 3.5Å; H103-A106 WeakPolarHBondContact O-CA 3.4Å; H103-A106 PolarHBondContact O-N 3.17Å; L104-A106 PolarHBondContact O-N 3.14Å; A106-Y322 HydrophobicContact CB-CD1 3.76Å; A106-Y322 HydrophobicContact CB-CE1 3.35Å; A106-Y322 WeakPolarHBondContact O-CD1 2.89Å
107L88.2Confident89.2Confident12 Ų1261.2 Ų61.26%0.06331%0.311CS..SBendtrans-67.6148.7172.1-68.3176.5000110.8H103 L104 F111 Y112 L317 E320 Y322H103-L107 PolarHBondContact O-N 3.49Å; L104-L107 HydrophobicContact CD2-CD1 3.89Å; L104-L107 PolarHBondContact O-N 3.46Å; L107-F111 HydrophobicContact CB-CB 4.2Å; L107-F111 HydrophobicContact CB-CD1 4.21Å; L107-F111 HydrophobicContact CB-CG 4.27Å; L107-F111 HydrophobicContact CD1-CD1 3.6Å; L107-F111 HydrophobicContact CD1-CD2 4.07Å; L107-F111 HydrophobicContact CD1-CE1 3.67Å; L107-F111 HydrophobicContact CD1-CE2 4.12Å; L107-F111 HydrophobicContact CD1-CG 3.8Å; L107-F111 HydrophobicContact CD1-CZ 3.94Å; L107-Y112 HydrophobicContact CB-CE2 4.37Å; L107-L317 HydrophobicContact CD1-CD1 4.44Å; L107-E320 HydrophobicContact CD1-CB 4.47Å; L107-E320 HydrophobicContact CD1-CG 4.36Å; L107-E320 HydrophobicContact CD2-CB 4.01Å; L107-E320 HydrophobicContact CD2-CG 3.79Å; L107-Y322 HydrophobicContact CD2-CD1 4.02Å; L107-Y322 HydrophobicContact CD2-CE1 4.36Å
108S82.5Confident89.1Confident8 Ų857.8 Ų57.86%0.05630%0.299CS..  trans-76.2169.1-176.772.70000112.7R110 F111 Y112 D323S108-R110 PolarHBondContact O-N 3.43Å; S108-R110 WeakPolarHBondContact OG-CB 3.48Å; S108-R110 PolarHBondContact OG-N 2.88Å; S108-F111 PolarHBondContact O-N 2.8Å; S108-F111 PolarHBondContact OG-N 2.87Å; S108-Y112 VanDerWaalsContact O-CD2 3.24Å; S108-Y112 WeakPolarHBondContact O-CD2 3.32Å; S108-D323 VanDerWaalsContact CB-OD2 3.29Å; S108-D323 WeakPolarHBondContact CB-OD2 3.38Å; S108-D323 PolarHBondContact OG-OD2 2.81Å
109A78.9Confident88.9Confident45 Ų4553.9 Ų53.937%0.37228%0.283SS..Hα-helixtrans-60.9-28.3170.100000112.9F111 Y112 A113 Y391A109-F111 VanDerWaalsContact C-N 3.33Å; A109-F111 PolarHBondContact O-N 3.12Å; A109-Y112 PolarHBondContact O-N 2.68Å; A109-A113 PolarHBondContact O-N 3.48Å; A109-Y391 HydrophobicContact CB-CE2 4.42Å; A109-Y391 WeakPolarHBondContact CB-OH 3.49Å
110R83.3Confident88.9Confident59 Ų5949.7 Ų49.722%0.22327%0.266CS..Hα-helixtrans-59.8-42.8176.4-169.3-176.7-68.3177.6-8111.6S108 Y112 A113 N114 D323 Y349 Y391S108-R110 PolarHBondContact O-N 3.43Å; S108-R110 WeakPolarHBondContact OG-CB 3.48Å; S108-R110 PolarHBondContact OG-N 2.88Å; R110-Y112 VanDerWaalsContact C-N 3.31Å; R110-Y112 PolarHBondContact O-N 2.83Å; R110-A113 PolarHBondContact O-N 3.44Å; R110-N114 PolarHBondContact O-N 3.47Å; R110-N114 VanDerWaalsContact O-N 3.08Å; R110-N114 PolarHBondContact O-ND2 2.98Å; R110-D323 VanDerWaalsContact CB-OD2 3.31Å; R110-D323 WeakPolarHBondContact CB-OD2 3.36Å; R110-D323 IonicContact NE-OD2 3.03Å; R110-D323 IonicContact NH1-OD1 3.17Å; R110-Y349 PolarHBondContact NE-O 3.01Å; R110-Y349 PolarHBondContact NH2-O 3.02Å; R110-Y391 HydrophobicContact CB-CE1 3.96Å
111F87.7Confident88.8Confident8 Ų853.6 Ų53.64%0.03529%0.286CS..Hα-helixtrans-58-45.7178.3174.2-99.1000111.3L104 L107 S108 A109 N114 N115 V120 L317 E320L104-F111 HydrophobicContact CD2-CE1 4.2Å; L107-F111 HydrophobicContact CB-CB 4.2Å; L107-F111 HydrophobicContact CB-CD1 4.21Å; L107-F111 HydrophobicContact CB-CG 4.27Å; L107-F111 HydrophobicContact CD1-CD1 3.6Å; L107-F111 HydrophobicContact CD1-CD2 4.07Å; L107-F111 HydrophobicContact CD1-CE1 3.67Å; L107-F111 HydrophobicContact CD1-CE2 4.12Å; L107-F111 HydrophobicContact CD1-CG 3.8Å; L107-F111 HydrophobicContact CD1-CZ 3.94Å; S108-F111 PolarHBondContact O-N 2.8Å; S108-F111 PolarHBondContact OG-N 2.87Å; A109-F111 VanDerWaalsContact C-N 3.33Å; A109-F111 PolarHBondContact O-N 3.12Å; F111-N114 PolarHBondContact O-N 3.5Å; F111-N115 WeakPolarHBondContact CD2-ND2 3.5Å; F111-N115 HydrophobicContact CE2-CB 4.48Å; F111-N115 WeakPolarHBondContact CE2-ND2 3.42Å; F111-N115 HydrophobicContact CZ-CB 4.33Å; F111-N115 WeakPolarHBondContact O-CB 3.22Å; F111-N115 PolarHBondContact O-N 2.77Å; F111-N115 PolarHBondContact O-ND2 2.83Å; F111-V120 HydrophobicContact CE1-CG2 3.82Å; F111-V120 HydrophobicContact CZ-CG2 3.97Å; F111-L317 HydrophobicContact CE1-CD1 4.39Å; F111-L317 HydrophobicContact CE2-CD1 4.2Å; F111-L317 HydrophobicContact CZ-CD1 3.59Å; F111-E320 HydrophobicContact CD2-CG 3.61Å; F111-E320 HydrophobicContact CE2-CG 3.79Å
112Y87.4Confident88.9Confident91 Ų9147 Ų4736%0.35726%0.26SS..Hα-helixtrans-73-28-179.7-64.3-71.9000113.5L104 L107 S108 A109 R110 N114L104-Y112 VanDerWaalsContact C-OH 3.22Å; L104-Y112 WeakPolarHBondContact CB-OH 3.31Å; L104-Y112 PolarHBondContact O-OH 3.25Å; L107-Y112 HydrophobicContact CB-CE2 4.37Å; S108-Y112 VanDerWaalsContact O-CD2 3.24Å; S108-Y112 WeakPolarHBondContact O-CD2 3.32Å; A109-Y112 PolarHBondContact O-N 2.68Å; R110-Y112 VanDerWaalsContact C-N 3.31Å; R110-Y112 PolarHBondContact O-N 2.83Å; Y112-N114 VanDerWaalsContact C-N 3.34Å
113A82.2Confident89Confident78 Ų7844 Ų4465%0.64524%0.243SC*.Hα-helixtrans-68.3-34.5171.700000112.2A109 R110A109-A113 PolarHBondContact O-N 3.48Å; R110-A113 PolarHBondContact O-N 3.44Å
114N85.2Confident89.1Confident102 Ų10244.5 Ų44.555%0.54525%0.246SC..Hα-helixtrans-93.3-10.8-176.2-69.7-25.7000114.2R110 F111 Y112R110-N114 PolarHBondContact O-N 3.47Å; R110-N114 VanDerWaalsContact O-N 3.08Å; R110-N114 PolarHBondContact O-ND2 2.98Å; F111-N114 PolarHBondContact O-N 3.5Å; Y112-N114 VanDerWaalsContact C-N 3.34Å
115N88Confident89.2Confident45 Ų4547.3 Ų47.324%0.24126%0.261CS..SBendtrans-127133.6-175.6-68.5-89000112.2F111 V117 V120F111-N115 WeakPolarHBondContact CD2-ND2 3.5Å; F111-N115 HydrophobicContact CE2-CB 4.48Å; F111-N115 WeakPolarHBondContact CE2-ND2 3.42Å; F111-N115 HydrophobicContact CZ-CB 4.33Å; F111-N115 WeakPolarHBondContact O-CB 3.22Å; F111-N115 PolarHBondContact O-N 2.77Å; F111-N115 PolarHBondContact O-ND2 2.83Å; N115-V117 PolarHBondContact O-N 3.24Å; N115-V120 HydrophobicContact CB-CG2 4.35Å
116Q89.5Confident89.5Confident61 Ų6144.4 Ų44.429%0.28525%0.249SC..  trans-65.8126173.4-68.9-179.8-22.600110.9G118 Q119 V120 E205Q116-G118 PolarHBondContact O-N 3.45Å; Q116-Q119 HydrophobicContact CB-CB 4.49Å; Q116-Q119 HydrophobicContact CB-CG 4.1Å; Q116-Q119 WeakPolarHBondContact O-CB 3.39Å; Q116-Q119 PolarHBondContact O-N 3.46Å; Q116-V120 PolarHBondContact O-N 2.86Å; Q116-E205 PolarHBondContact NE2-OE2 2.87Å
117V91.4Very high89.9Confident65 Ų6542.3 Ų42.339%0.39423%0.231SC..Hα-helixtrans-53.1-41179.4176.50000112.1N115 Q119 V120 I121N115-V117 PolarHBondContact O-N 3.24Å; V117-Q119 VanDerWaalsContact C-N 3.27Å; V117-Q119 PolarHBondContact O-N 3.35Å; V117-V120 WeakPolarHBondContact O-CB 3.44Å; V117-V120 PolarHBondContact O-N 3.32Å; V117-V120 VanDerWaalsContact O-N 3.07Å; V117-I121 HydrophobicContact CG1-CD1 3.91Å; V117-I121 HydrophobicContact CG1-CG1 4.37Å; V117-I121 WeakPolarHBondContact O-CG1 3.34Å; V117-I121 PolarHBondContact O-N 3.36Å
118G92.7Very high90.3Very high4 Ų441.8 Ų41.84%0.04123%0.228CC..Hα-helixtrans-61-31.5176.900000114.2Q116 S122Q116-G118 PolarHBondContact O-N 3.45Å; G118-S122 WeakPolarHBondContact O-CB 3.44Å; G118-S122 PolarHBondContact O-N 3.17Å
119Q93Very high90.9Very high32 Ų3244.5 Ų44.515%0.1524%0.24CC..Hα-helixtrans-72.9-36.8174.1-66-170.936.800111.9Q116 V117 S122 R123 A197Q116-Q119 HydrophobicContact CB-CB 4.49Å; Q116-Q119 HydrophobicContact CB-CG 4.1Å; Q116-Q119 WeakPolarHBondContact O-CB 3.39Å; Q116-Q119 PolarHBondContact O-N 3.46Å; V117-Q119 VanDerWaalsContact C-N 3.27Å; V117-Q119 PolarHBondContact O-N 3.35Å; Q119-S122 WeakPolarHBondContact O-CB 3.35Å; Q119-S122 PolarHBondContact O-N 3.35Å; Q119-R123 WeakPolarHBondContact O-CG 3.47Å; Q119-R123 PolarHBondContact O-N 3.24Å; Q119-R123 VanDerWaalsContact O-N 3.11Å; Q119-A197 HydrophobicContact CG-CB 4.41Å; Q119-A197 WeakPolarHBondContact CG-O 3.38Å
120V94.4Very high91.7Very high11 Ų1145.4 Ų45.47%0.06724%0.237CC..Hα-helixtrans-63.3-46.1174.7-178.80000110L104 F111 N115 Q116 V117 S122 R123 V124L104-V120 HydrophobicContact CD1-CG1 3.78Å; L104-V120 HydrophobicContact CD2-CG1 3.55Å; L104-V120 HydrophobicContact CG-CG1 4.34Å; F111-V120 HydrophobicContact CE1-CG2 3.82Å; F111-V120 HydrophobicContact CZ-CG2 3.97Å; N115-V120 HydrophobicContact CB-CG2 4.35Å; Q116-V120 PolarHBondContact O-N 2.86Å; V117-V120 WeakPolarHBondContact O-CB 3.44Å; V117-V120 PolarHBondContact O-N 3.32Å; V117-V120 VanDerWaalsContact O-N 3.07Å; V120-S122 VanDerWaalsContact C-N 3.35Å; V120-S122 PolarHBondContact O-N 2.79Å; V120-R123 PolarHBondContact O-N 3.05Å; V120-R123 VanDerWaalsContact O-N 3.17Å; V120-V124 WeakPolarHBondContact O-CG2 3.17Å; V120-V124 PolarHBondContact O-N 3.06Å; V120-V124 VanDerWaalsContact O-N 3.09Å
121I94.4Very high92.2Very high82 Ų8242.7 Ų42.742%0.42123%0.226SC..Hα-helixtrans-59.2-45.4175.6-66169.1000110.9V117 R123 V124 I125V117-I121 HydrophobicContact CG1-CD1 3.91Å; V117-I121 HydrophobicContact CG1-CG1 4.37Å; V117-I121 WeakPolarHBondContact O-CG1 3.34Å; V117-I121 PolarHBondContact O-N 3.36Å; I121-R123 VanDerWaalsContact C-N 3.28Å; I121-R123 PolarHBondContact O-N 2.83Å; I121-V124 PolarHBondContact O-N 3.11Å; I121-V124 VanDerWaalsContact O-N 3.16Å; I121-I125 HydrophobicContact CG2-CG1 4.07Å; I121-I125 WeakPolarHBondContact O-CB 3.3Å; I121-I125 WeakPolarHBondContact O-CG1 3.43Å; I121-I125 PolarHBondContact O-N 2.71Å
122S95.4Very high92.5Very high2 Ų243.2 Ų43.21%0.01423%0.229CC..Hα-helixtrans-54-44.2175.9-175.20000112.3G118 Q119 V120 N126 D127 Q200G118-S122 WeakPolarHBondContact O-CB 3.44Å; G118-S122 PolarHBondContact O-N 3.17Å; Q119-S122 WeakPolarHBondContact O-CB 3.35Å; Q119-S122 PolarHBondContact O-N 3.35Å; V120-S122 VanDerWaalsContact C-N 3.35Å; V120-S122 PolarHBondContact O-N 2.79Å; S122-N126 WeakPolarHBondContact O-CA 3.44Å; S122-N126 WeakPolarHBondContact O-CB 3.46Å; S122-N126 PolarHBondContact O-N 3Å; S122-D127 PolarHBondContact O-N 2.85Å; S122-Q200 PolarHBondContact OG-OE1 2.82Å
123R94Very high92.9Very high21 Ų2140.8 Ų40.88%0.07922%0.222CC..Iπ-helixtrans-65.5-42.6178-68.7-176.4-169.2179.17.8112.1Q119 V120 I121 D127 V128 L317Q119-R123 WeakPolarHBondContact O-CG 3.47Å; Q119-R123 PolarHBondContact O-N 3.24Å; Q119-R123 VanDerWaalsContact O-N 3.11Å; V120-R123 PolarHBondContact O-N 3.05Å; V120-R123 VanDerWaalsContact O-N 3.17Å; I121-R123 VanDerWaalsContact C-N 3.28Å; I121-R123 PolarHBondContact O-N 2.83Å; R123-D127 WeakPolarHBondContact CA-OD2 3.39Å; R123-D127 WeakPolarHBondContact O-CB 3.41Å; R123-V128 WeakPolarHBondContact O-CG2 3.26Å; R123-V128 PolarHBondContact O-N 2.82Å; R123-L317 HydrophobicContact CB-CD2 3.89Å
124V95.8Very high93.5Very high21 Ų2137.7 Ų37.713%0.12719%0.194CC..Iπ-helixtrans-74.1-31.3-177.91780000112.9L100 L104 V120 I121 V128 L317L100-V124 HydrophobicContact CB-CG2 4.35Å; L100-V124 HydrophobicContact CD1-CG2 4.35Å; L104-V124 HydrophobicContact CD1-CG2 3.81Å; V120-V124 WeakPolarHBondContact O-CG2 3.17Å; V120-V124 PolarHBondContact O-N 3.06Å; V120-V124 VanDerWaalsContact O-N 3.09Å; I121-V124 PolarHBondContact O-N 3.11Å; I121-V124 VanDerWaalsContact O-N 3.16Å; V124-V128 VanDerWaalsContact O-CB 3.25Å; V124-V128 WeakPolarHBondContact O-CB 3.33Å; V124-V128 VanDerWaalsContact O-CG2 3.32Å; V124-V128 WeakPolarHBondContact O-CG2 3.42Å; V124-L317 HydrophobicContact CG2-CD2 4.08Å
125I94.1Very high93.8Very high79 Ų7932.9 Ų32.941%0.40517%0.168SC..Iπ-helixtrans-99-67.5-175.8-57.8-58.4000111.1R97 I121 E129R97-I125 PolarHBondContact NH2-O 3.42Å; I121-I125 HydrophobicContact CG2-CG1 4.07Å; I121-I125 WeakPolarHBondContact O-CB 3.3Å; I121-I125 WeakPolarHBondContact O-CG1 3.43Å; I121-I125 PolarHBondContact O-N 2.71Å; I125-E129 WeakPolarHBondContact O-CB 3.4Å; I125-E129 PolarHBondContact O-N 2.95Å; I125-E129 VanDerWaalsContact O-N 3.07Å
126N94.7Very high94Very high59 Ų5932.1 Ų32.132%0.31616%0.164SC..Iπ-helixtrans-69.9-52.7-173.1-64.986.4000111.7S122 V128 E129 Q130 Q200S122-N126 WeakPolarHBondContact O-CA 3.44Å; S122-N126 WeakPolarHBondContact O-CB 3.46Å; S122-N126 PolarHBondContact O-N 3Å; N126-V128 PolarHBondContact O-N 3.39Å; N126-E129 WeakPolarHBondContact O-CB 3.29Å; N126-E129 PolarHBondContact O-N 3.47Å; N126-Q130 WeakPolarHBondContact O-CG 3.45Å; N126-Q130 PolarHBondContact O-N 3.42Å; N126-Q200 PolarHBondContact OD1-NE2 3.28Å
127D95.6Very high94.2Very high4 Ų429.8 Ų29.82%0.02115%0.154CC..Iπ-helixtrans-66.7-39.8-175.4-67.8-45.9000111.6S122 R123 E129 Q130 T131 S310 R313 V314S122-D127 PolarHBondContact O-N 2.85Å; R123-D127 WeakPolarHBondContact CA-OD2 3.39Å; R123-D127 WeakPolarHBondContact O-CB 3.41Å; D127-E129 PolarHBondContact O-N 2.93Å; D127-Q130 PolarHBondContact O-N 3.25Å; D127-T131 VanDerWaalsContact O-CG2 3.27Å; D127-T131 WeakPolarHBondContact O-CG2 3.49Å; D127-T131 PolarHBondContact O-N 2.82Å; D127-T131 VanDerWaalsContact O-N 3.17Å; D127-S310 WeakPolarHBondContact O-CB 3.29Å; D127-R313 VanDerWaalsContact CG-NE 3.34Å; D127-R313 IonicContact OD1-NE 3.64Å; D127-R313 PolarHBondContact OD1-NE 3.44Å; D127-R313 IonicContact OD2-CZ 3.52Å; D127-R313 IonicContact OD2-NE 3.78Å; D127-R313 PolarHBondContact OD2-NE 2.96Å; D127-R313 IonicContact OD2-NH2 3.63Å; D127-R313 PolarHBondContact OD2-NH2 3.3Å; D127-V314 HydrophobicContact CB-CG2 3.75Å
128V96.2Very high94.2Very high0 Ų027.2 Ų27.20%014%0.14CC..Hα-helixtrans-60.4-43.9173.6175.60000111L93 I96 R97 L100 R123 V124 N126 Q130 T131 V314L93-V128 VanDerWaalsContact CD1-C 3.4Å; L93-V128 HydrophobicContact CD1-CB 4.26Å; L93-V128 HydrophobicContact CD1-CG1 3.31Å; L93-V128 WeakPolarHBondContact CD1-O 3.47Å; L93-V128 HydrophobicContact CG-CG1 4.05Å; I96-V128 HydrophobicContact CB-CG1 4.15Å; I96-V128 HydrophobicContact CG2-CG1 3.8Å; I96-V128 HydrophobicContact CG2-CG2 3.9Å; R97-V128 HydrophobicContact CG-CG1 3.76Å; L100-V128 HydrophobicContact CD1-CG2 3.33Å; R123-V128 WeakPolarHBondContact O-CG2 3.26Å; R123-V128 PolarHBondContact O-N 2.82Å; V124-V128 VanDerWaalsContact O-CB 3.25Å; V124-V128 WeakPolarHBondContact O-CB 3.33Å; V124-V128 VanDerWaalsContact O-CG2 3.32Å; V124-V128 WeakPolarHBondContact O-CG2 3.42Å; N126-V128 PolarHBondContact O-N 3.39Å; V128-Q130 VanDerWaalsContact C-N 3.31Å; V128-Q130 PolarHBondContact O-N 3.11Å; V128-T131 WeakPolarHBondContact O-CB 3.43Å; V128-T131 PolarHBondContact O-N 3.05Å; V128-T131 PolarHBondContact O-OG1 3.38Å; V128-V314 HydrophobicContact CG2-CG1 4.25Å; V128-V314 HydrophobicContact CG2-CG2 3.64Å
129E96.1Very high94Very high66 Ų6628.4 Ų28.431%0.30815%0.146SC..Hα-helixtrans-57.7-43.4175-169.866.7-146.600111.5L93 R97 I125 N126 D127 T131 K132L93-E129 WeakPolarHBondContact CD2-OE2 3.31Å; R97-E129 IonicContact CZ-OE2 3.95Å; R97-E129 IonicContact NH2-OE2 3.11Å; R97-E129 PolarHBondContact NH2-OE2 3.44Å; I125-E129 WeakPolarHBondContact O-CB 3.4Å; I125-E129 PolarHBondContact O-N 2.95Å; I125-E129 VanDerWaalsContact O-N 3.07Å; N126-E129 WeakPolarHBondContact O-CB 3.29Å; N126-E129 PolarHBondContact O-N 3.47Å; D127-E129 PolarHBondContact O-N 2.93Å; E129-T131 PolarHBondContact O-N 3.34Å; E129-K132 WeakPolarHBondContact O-CB 3.49Å; E129-K132 PolarHBondContact O-N 3.46Å; E129-K132 VanDerWaalsContact O-N 3.09Å; E129-K132 WeakPolarHBondContact OE1-CD 3.42Å; E129-K132 IonicContact OE1-NZ 3.25Å
130Q94.9Very high93.8Very high64 Ų6427 Ų2730%0.29914%0.139SC..Hα-helixtrans-66.5-22178-63.1-60.9-57.500113.1N126 D127 V128 K132 D133 Q306 S307 S310N126-Q130 WeakPolarHBondContact O-CG 3.45Å; N126-Q130 PolarHBondContact O-N 3.42Å; D127-Q130 PolarHBondContact O-N 3.25Å; V128-Q130 VanDerWaalsContact C-N 3.31Å; V128-Q130 PolarHBondContact O-N 3.11Å; Q130-K132 PolarHBondContact O-N 3.18Å; Q130-D133 PolarHBondContact O-N 3.08Å; Q130-Q306 HydrophobicContact CB-CG 4.39Å; Q130-Q306 HydrophobicContact CG-CG 4.36Å; Q130-S307 WeakPolarHBondContact O-CA 3.27Å; Q130-S307 WeakPolarHBondContact O-CB 3.01Å; Q130-S307 PolarHBondContact O-OG 3.27Å; Q130-S310 WeakPolarHBondContact CB-OG 3.31Å
131T94.9Very high93.6Very high1 Ų129 Ų291%0.00615%0.15CC..Hα-helixtrans-67-24.1174.175.80000112.8Y5 D127 V128 E129 D133 F134 S307 M311 V314Y5-T131 HydrophobicContact CE2-CG2 4.27Å; Y5-T131 PolarHBondContact OH-O 3.44Å; Y5-T131 VanDerWaalsContact OH-O 3.12Å; Y5-T131 PolarHBondContact OH-OG1 3.21Å; D127-T131 VanDerWaalsContact O-CG2 3.27Å; D127-T131 WeakPolarHBondContact O-CG2 3.49Å; D127-T131 PolarHBondContact O-N 2.82Å; D127-T131 VanDerWaalsContact O-N 3.17Å; V128-T131 WeakPolarHBondContact O-CB 3.43Å; V128-T131 PolarHBondContact O-N 3.05Å; V128-T131 PolarHBondContact O-OG1 3.38Å; E129-T131 PolarHBondContact O-N 3.34Å; T131-D133 PolarHBondContact O-N 3.44Å; T131-F134 WeakPolarHBondContact O-CB 3.33Å; T131-F134 PolarHBondContact O-N 3.45Å; T131-S307 WeakPolarHBondContact CA-OG 3.43Å; T131-S307 PolarHBondContact O-OG 3.49Å; T131-M311 HydrophobicContact CG2-CB 4.31Å; T131-M311 HydrophobicContact CG2-CG 3.5Å; T131-M311 VanDerWaalsContact CG2-CG 3.5Å; T131-V314 HydrophobicContact CG2-CG2 4.26Å
132K93.7Very high93.5Very high20 Ų2026.3 Ų26.39%0.08714%0.136CC..Hα-helixtrans-53-36176.8-170.5-175.4176158.80112.4S89 N90 E129 Q130 F134 I135 L136S89-K132 WeakPolarHBondContact OG-CG 3.18Å; S89-K132 PolarHBondContact OG-O 3.16Å; N90-K132 WeakPolarHBondContact OD1-CE 3.46Å; N90-K132 PolarHBondContact OD1-NZ 3.31Å; E129-K132 WeakPolarHBondContact O-CB 3.49Å; E129-K132 PolarHBondContact O-N 3.46Å; E129-K132 VanDerWaalsContact O-N 3.09Å; E129-K132 WeakPolarHBondContact OE1-CD 3.42Å; E129-K132 IonicContact OE1-NZ 3.25Å; Q130-K132 PolarHBondContact O-N 3.18Å; K132-F134 VanDerWaalsContact C-N 3.27Å; K132-F134 PolarHBondContact O-N 3.35Å; K132-I135 WeakPolarHBondContact O-CB 3.48Å; K132-I135 PolarHBondContact O-N 3.41Å; K132-I135 VanDerWaalsContact O-N 3.07Å; K132-L136 HydrophobicContact CG-CD1 4.24Å; K132-L136 PolarHBondContact O-N 2.88Å
133D94.1Very high93.2Very high40 Ų4033.3 Ų33.321%0.21416%0.162CC..Hα-helixtrans-68.7-24-178.8-69.9-31.6000113.4Q130 T131 I135 T137 G138 T303Q130-D133 PolarHBondContact O-N 3.08Å; T131-D133 PolarHBondContact O-N 3.44Å; D133-I135 PolarHBondContact O-N 3.19Å; D133-T137 WeakPolarHBondContact O-CA 3.37Å; D133-T137 WeakPolarHBondContact O-CB 3.43Å; D133-T137 PolarHBondContact O-N 3Å; D133-G138 PolarHBondContact O-N 3.02Å; D133-T303 HydrophobicContact CB-CG2 3.48Å; D133-T303 VanDerWaalsContact CB-CG2 3.48Å; D133-T303 WeakPolarHBondContact OD2-CG2 3.44Å
134F95.1Very high93Very high13 Ų1332.4 Ų32.46%0.05716%0.159CC..Iπ-helixtrans-62.2-35.1171.5177.2-105.9000111I2 Y5 L6 T131 K132 G138 L139 L304 S307 F308 M311I2-F134 HydrophobicContact CG2-CZ 3.96Å; Y5-F134 AromaticContact CD1-CD1 3.57Å; Y5-F134 HydrophobicContact CD1-CD1 3.57Å; Y5-F134 AromaticContact CD1-CE1 3.85Å; Y5-F134 HydrophobicContact CD1-CE1 3.85Å; Y5-F134 AromaticContact CE1-CD1 3.58Å; Y5-F134 HydrophobicContact CE1-CD1 3.58Å; Y5-F134 HydrophobicContact CE1-CE1 4.25Å; L6-F134 HydrophobicContact CD2-CE1 4.38Å; T131-F134 WeakPolarHBondContact O-CB 3.33Å; T131-F134 PolarHBondContact O-N 3.45Å; K132-F134 VanDerWaalsContact C-N 3.27Å; K132-F134 PolarHBondContact O-N 3.35Å; F134-G138 CarbonylContact O-C 3.56Å; F134-G138 WeakPolarHBondContact O-CA 3.26Å; F134-G138 PolarHBondContact O-N 3.3Å; F134-L139 HydrophobicContact CD1-CD1 4.27Å; F134-L139 HydrophobicContact CD1-CG 4.29Å; F134-L139 HydrophobicContact CE1-CD1 3.88Å; F134-L139 HydrophobicContact CE1-CD2 3.97Å; F134-L139 HydrophobicContact CE1-CG 3.88Å; F134-L139 HydrophobicContact CZ-CD2 3.88Å; F134-L139 HydrophobicContact CZ-CG 4.2Å; F134-L139 PolarHBondContact O-N 3.01Å; F134-L304 HydrophobicContact CD2-CD2 3.87Å; F134-S307 VanDerWaalsContact CB-OG 3.29Å; F134-S307 WeakPolarHBondContact CB-OG 3.2Å; F134-S307 PolarHBondContact N-OG 3.43Å; F134-F308 HydrophobicContact CD2-CD1 4.33Å; F134-F308 AromaticContact CD2-CE1 3.47Å; F134-F308 HydrophobicContact CD2-CE1 3.47Å; F134-F308 VanDerWaalsContact CD2-CE1 3.47Å; F134-F308 AromaticContact CD2-CZ 3.92Å; F134-F308 HydrophobicContact CD2-CZ 3.92Å; F134-F308 AromaticContact CE2-CE1 3.47Å; F134-F308 HydrophobicContact CE2-CE1 3.47Å; F134-F308 VanDerWaalsContact CE2-CE1 3.47Å; F134-F308 AromaticContact CE2-CZ 3.77Å; F134-F308 HydrophobicContact CE2-CZ 3.77Å; F134-F308 HydrophobicContact CZ-CE1 4.49Å; F134-M311 HydrophobicContact CB-CE 4.39Å; F134-M311 HydrophobicContact CB-SD 4.06Å; F134-M311 HydrophobicContact CD1-CE 3.96Å; F134-M311 HydrophobicContact CE1-CE 4.39Å; F134-M311 HydrophobicContact CG-CE 4.04Å; F134-M311 HydrophobicContact CG-SD 4.16Å
135I92.5Very high92.8Very high0 Ų031.7 Ų31.70%015%0.154CC..Iπ-helixtrans-73.3-54.1177.7-58.2160.6000109.9Y5 I92 K132 D133 L139 M140Y5-I135 HydrophobicContact CE1-CD1 4.21Å; Y5-I135 HydrophobicContact CE1-CG1 3.92Å; Y5-I135 VanDerWaalsContact OH-CD1 3.26Å; Y5-I135 WeakPolarHBondContact OH-CD1 3.46Å; I92-I135 HydrophobicContact CB-CD1 3.7Å; I92-I135 HydrophobicContact CD1-CD1 3.45Å; I92-I135 VanDerWaalsContact CD1-CD1 3.45Å; I92-I135 HydrophobicContact CD1-CG1 4.13Å; I92-I135 HydrophobicContact CG1-CD1 4.15Å; I92-I135 HydrophobicContact CG2-CD1 3.71Å; K132-I135 WeakPolarHBondContact O-CB 3.48Å; K132-I135 PolarHBondContact O-N 3.41Å; K132-I135 VanDerWaalsContact O-N 3.07Å; D133-I135 PolarHBondContact O-N 3.19Å; I135-L139 WeakPolarHBondContact O-CB 3.14Å; I135-L139 PolarHBondContact O-N 3.41Å; I135-M140 HydrophobicContact CG2-CE 3.75Å; I135-M140 WeakPolarHBondContact O-CG 3.49Å; I135-M140 PolarHBondContact O-N 3.11Å
136L92.8Very high92.8Very high29 Ų2930.1 Ų30.115%0.15215%0.15CC..Iπ-helixtrans-66.4-46.1-175-63.4176.8000111.9A85 K132 M140 N141A85-L136 HydrophobicContact CB-CD2 3.92Å; K132-L136 HydrophobicContact CG-CD1 4.24Å; K132-L136 PolarHBondContact O-N 2.88Å; L136-M140 WeakPolarHBondContact O-CB 3.03Å; L136-N141 PolarHBondContact O-N 3.34Å; L136-N141 PolarHBondContact O-ND2 3.36Å; L136-N141 PolarHBondContact O-OD1 2.88Å
137T92.8Very high92.6Very high13 Ų1329.4 Ų29.48%0.0815%0.145CC..Iπ-helixtrans-91-53.8-175.8-58.10000110.8D133 N141 I142 L304D133-T137 WeakPolarHBondContact O-CA 3.37Å; D133-T137 WeakPolarHBondContact O-CB 3.43Å; D133-T137 PolarHBondContact O-N 3Å; T137-N141 PolarHBondContact O-N 3.47Å; T137-I142 HydrophobicContact CG2-CD1 4.41Å; T137-I142 HydrophobicContact CG2-CG1 4.41Å; T137-I142 VanDerWaalsContact O-CG1 3.32Å; T137-I142 WeakPolarHBondContact O-CG1 3.38Å; T137-I142 PolarHBondContact O-N 2.81Å; T137-L304 HydrophobicContact CG2-CG 4.37Å
138G90.7Very high92.3Very high10 Ų1029.5 Ų29.510%0.10315%0.146CC..Iπ-helixtrans-69.8-43.1-173.200000115.3D133 F134D133-G138 PolarHBondContact O-N 3.02Å; F134-G138 CarbonylContact O-C 3.56Å; F134-G138 WeakPolarHBondContact O-CA 3.26Å; F134-G138 PolarHBondContact O-N 3.3Å
139L89.5Confident92.2Very high30 Ų3030.2 Ų30.216%0.15715%0.15CC..Iπ-helixtrans-96.6-17.9-175-60.6-178.2000113.6L6 V9 I16 F134 I135L6-L139 HydrophobicContact CD2-CD1 4.37Å; V9-L139 HydrophobicContact CG1-CD1 3.9Å; V9-L139 HydrophobicContact CG2-CD1 4.22Å; I16-L139 HydrophobicContact CD1-CD1 4.39Å; F134-L139 HydrophobicContact CD1-CD1 4.27Å; F134-L139 HydrophobicContact CD1-CG 4.29Å; F134-L139 HydrophobicContact CE1-CD1 3.88Å; F134-L139 HydrophobicContact CE1-CD2 3.97Å; F134-L139 HydrophobicContact CE1-CG 3.88Å; F134-L139 HydrophobicContact CZ-CD2 3.88Å; F134-L139 HydrophobicContact CZ-CG 4.2Å; F134-L139 PolarHBondContact O-N 3.01Å; I135-L139 WeakPolarHBondContact O-CB 3.14Å; I135-L139 PolarHBondContact O-N 3.41Å
140M88.7Confident92Very high2 Ų232 Ų321%0.0116%0.16CC..Iπ-helixtrans-116-68.1-177.9-58.7171.9-178.800112.1I16 T19 A85 I135 L136 I142 W143 L144I16-M140 HydrophobicContact CB-CE 4.49Å; I16-M140 HydrophobicContact CG1-CE 3.93Å; I16-M140 HydrophobicContact CG2-CE 4.42Å; T19-M140 HydrophobicContact CG2-CE 4.22Å; T19-M140 HydrophobicContact CG2-CG 4.45Å; T19-M140 HydrophobicContact CG2-SD 3.82Å; A85-M140 HydrophobicContact CB-CE 4.34Å; A85-M140 HydrophobicContact CB-SD 3.52Å; A85-M140 VanDerWaalsContact CB-SD 3.52Å; I135-M140 HydrophobicContact CG2-CE 3.75Å; I135-M140 WeakPolarHBondContact O-CG 3.49Å; I135-M140 PolarHBondContact O-N 3.11Å; L136-M140 WeakPolarHBondContact O-CB 3.03Å; M140-I142 PolarHBondContact O-N 3.43Å; M140-W143 PolarHBondContact O-N 3.3Å; M140-L144 WeakPolarHBondContact O-CG 3.45Å; M140-L144 PolarHBondContact O-N 3Å
141N90.1Very high91.8Very high53 Ų5331.7 Ų31.728%0.28316%0.16SC..Iπ-helixtrans-64.1-43.3-170-65.7-17000113.6R81 L136 T137 W143 L144 D145R81-N141 PolarHBondContact NH1-OD1 3.49Å; L136-N141 PolarHBondContact O-N 3.34Å; L136-N141 PolarHBondContact O-ND2 3.36Å; L136-N141 PolarHBondContact O-OD1 2.88Å; T137-N141 PolarHBondContact O-N 3.47Å; N141-W143 VanDerWaalsContact C-N 3.32Å; N141-W143 PolarHBondContact O-N 2.94Å; N141-L144 WeakPolarHBondContact O-CB 3.16Å; N141-L144 PolarHBondContact O-N 3.41Å; N141-L144 VanDerWaalsContact O-N 3.14Å; N141-D145 PolarHBondContact O-N 3.11Å
142I91.5Very high91.6Very high26 Ų2631.7 Ų31.713%0.13316%0.16CC..Hα-helixtrans-61-41.5-178.9-71.8177.3000111.6T137 M140 L144 D145 C146 L297 L304T137-I142 HydrophobicContact CG2-CD1 4.41Å; T137-I142 HydrophobicContact CG2-CG1 4.41Å; T137-I142 VanDerWaalsContact O-CG1 3.32Å; T137-I142 WeakPolarHBondContact O-CG1 3.38Å; T137-I142 PolarHBondContact O-N 2.81Å; M140-I142 PolarHBondContact O-N 3.43Å; I142-L144 VanDerWaalsContact C-N 3.32Å; I142-L144 PolarHBondContact O-N 3.23Å; I142-D145 PolarHBondContact O-N 3.31Å; I142-C146 WeakPolarHBondContact O-CB 3.4Å; I142-C146 PolarHBondContact O-N 2.67Å; I142-C146 PolarHBondContact O-SG 3.01Å; I142-L297 HydrophobicContact CB-CD2 4.21Å; I142-L297 HydrophobicContact CG1-CD2 3.81Å; I142-L297 HydrophobicContact CG2-CD2 4.05Å; I142-L304 HydrophobicContact CD1-CD1 3.31Å; I142-L304 HydrophobicContact CD1-CG 4.15Å
143W90.4Very high91.6Very high148 Ų14831.9 Ų31.956%0.56116%0.162SC*.Hα-helixtrans-64.3-39.3177.4-78.299.7000111.8M140 N141 C146 I147M140-W143 PolarHBondContact O-N 3.3Å; N141-W143 VanDerWaalsContact C-N 3.32Å; N141-W143 PolarHBondContact O-N 2.94Å; W143-C146 PolarHBondContact O-N 3.14Å; W143-I147 WeakPolarHBondContact O-CB 3.44Å; W143-I147 WeakPolarHBondContact O-CD1 3.2Å; W143-I147 WeakPolarHBondContact O-CG1 3.42Å; W143-I147 PolarHBondContact O-N 3.39Å
144L89.5Confident91.6Very high3 Ų333.4 Ų33.42%0.01618%0.176CC..Hα-helixtrans-65.3-41.8175.8-64.6174.8000111.9I24 F27 M140 N141 I142 I147 T148I24-L144 HydrophobicContact CG1-CD2 3.9Å; F27-L144 HydrophobicContact CD2-CB 3.89Å; F27-L144 HydrophobicContact CD2-CD1 3.89Å; F27-L144 HydrophobicContact CD2-CD2 4.37Å; F27-L144 HydrophobicContact CD2-CG 4.26Å; F27-L144 HydrophobicContact CE2-CB 3.85Å; F27-L144 HydrophobicContact CE2-CD1 3.62Å; F27-L144 HydrophobicContact CE2-CG 4.28Å; F27-L144 HydrophobicContact CZ-CB 4.48Å; M140-L144 WeakPolarHBondContact O-CG 3.45Å; M140-L144 PolarHBondContact O-N 3Å; N141-L144 WeakPolarHBondContact O-CB 3.16Å; N141-L144 PolarHBondContact O-N 3.41Å; N141-L144 VanDerWaalsContact O-N 3.14Å; I142-L144 VanDerWaalsContact C-N 3.32Å; I142-L144 PolarHBondContact O-N 3.23Å; L144-I147 PolarHBondContact O-N 3.18Å; L144-T148 VanDerWaalsContact O-CB 3.29Å; L144-T148 WeakPolarHBondContact O-CB 3.38Å; L144-T148 PolarHBondContact O-N 3Å; L144-T148 PolarHBondContact O-OG1 3.32Å
145D92.1Very high91.4Very high5 Ų534.7 Ų34.73%0.02718%0.183CC..Hα-helixtrans-65-43175.2-78.8-28.1000111.2N141 I142 T148 I149 P293 R296 L297N141-D145 PolarHBondContact O-N 3.11Å; I142-D145 PolarHBondContact O-N 3.31Å; D145-T148 WeakPolarHBondContact O-CB 3.36Å; D145-T148 PolarHBondContact O-N 3.08Å; D145-I149 VanDerWaalsContact O-CG1 3.29Å; D145-I149 WeakPolarHBondContact O-CG1 3.45Å; D145-I149 PolarHBondContact O-N 3.31Å; D145-P293 HydrophobicContact CB-CB 3.92Å; D145-R296 IonicContact OD1-CZ 3.51Å; D145-R296 IonicContact OD1-NE 3.61Å; D145-R296 PolarHBondContact OD1-NE 3.48Å; D145-R296 IonicContact OD1-NH2 2.74Å; D145-R296 PolarHBondContact OD1-NH2 3.18Å; D145-R296 IonicContact OD2-NE 3.42Å; D145-L297 HydrophobicContact CB-CD2 4.07Å; D145-L297 HydrophobicContact CB-CG 4.29Å
146C92.3Very high91.3Very high46 Ų4634.7 Ų34.731%0.31118%0.183SC..Hα-helixtrans-61.3-45.8174.6-72.10000112.4I142 W143 T148 I149 I150I142-C146 WeakPolarHBondContact O-CB 3.4Å; I142-C146 PolarHBondContact O-N 2.67Å; I142-C146 PolarHBondContact O-SG 3.01Å; W143-C146 PolarHBondContact O-N 3.14Å; C146-T148 VanDerWaalsContact C-N 3.3Å; C146-T148 PolarHBondContact O-N 3.05Å; C146-I149 PolarHBondContact O-N 3.08Å; C146-I150 VanDerWaalsContact O-CG1 3.26Å; C146-I150 WeakPolarHBondContact O-CG1 3.35Å; C146-I150 PolarHBondContact O-N 2.9Å
147I91.1Very high91.4Very high44 Ų4437.2 Ų37.223%0.22619%0.193CC..Hα-helixtrans-63-40.4176.7-69.7166000110.3I24 W143 L144 I150 I151I24-I147 HydrophobicContact CD1-CD1 3.7Å; I24-I147 HydrophobicContact CG1-CD1 3.81Å; I24-I147 HydrophobicContact CG1-CG2 4.35Å; W143-I147 WeakPolarHBondContact O-CB 3.44Å; W143-I147 WeakPolarHBondContact O-CD1 3.2Å; W143-I147 WeakPolarHBondContact O-CG1 3.42Å; W143-I147 PolarHBondContact O-N 3.39Å; L144-I147 PolarHBondContact O-N 3.18Å; I147-I150 PolarHBondContact O-N 2.98Å; I147-I151 HydrophobicContact CG2-CD1 3.65Å; I147-I151 HydrophobicContact CG2-CG1 4.32Å; I147-I151 VanDerWaalsContact O-CG1 3.29Å; I147-I151 WeakPolarHBondContact O-CG1 3.35Å; I147-I151 PolarHBondContact O-N 3.4Å
148T90Very high91.3Very high7 Ų745.2 Ų45.24%0.04323%0.227CC..Hα-helixtrans-60.7-46.4176.8-60.60000111.3M31 L144 D145 C146 I151 A152 P293M31-T148 HydrophobicContact CE-CG2 3.6Å; L144-T148 VanDerWaalsContact O-CB 3.29Å; L144-T148 WeakPolarHBondContact O-CB 3.38Å; L144-T148 PolarHBondContact O-N 3Å; L144-T148 PolarHBondContact O-OG1 3.32Å; D145-T148 WeakPolarHBondContact O-CB 3.36Å; D145-T148 PolarHBondContact O-N 3.08Å; C146-T148 VanDerWaalsContact C-N 3.3Å; C146-T148 PolarHBondContact O-N 3.05Å; T148-I151 PolarHBondContact O-N 3.43Å; T148-A152 WeakPolarHBondContact O-CB 3.18Å; T148-A152 PolarHBondContact O-N 2.7Å; T148-P293 HydrophobicContact CG2-CG 3.84Å
149I92.6Very high91.1Very high15 Ų1546.4 Ų46.48%0.07723%0.231CC..Hα-helixtrans-60.8-45.3175.8-70.6163.6000110.7D145 C146 A152 L153 F171 L290 P293 L294 L297D145-I149 VanDerWaalsContact O-CG1 3.29Å; D145-I149 WeakPolarHBondContact O-CG1 3.45Å; D145-I149 PolarHBondContact O-N 3.31Å; C146-I149 PolarHBondContact O-N 3.08Å; I149-A152 PolarHBondContact O-N 2.88Å; I149-L153 HydrophobicContact CG2-CD1 3.89Å; I149-L153 HydrophobicContact CG2-CG 4.36Å; I149-L153 WeakPolarHBondContact O-CB 3.47Å; I149-L153 VanDerWaalsContact O-CG 3.31Å; I149-L153 WeakPolarHBondContact O-CG 3.43Å; I149-L153 PolarHBondContact O-N 3.21Å; I149-F171 HydrophobicContact CG2-CE1 4.19Å; I149-F171 HydrophobicContact CG2-CZ 4.14Å; I149-L290 HydrophobicContact CG2-CD1 4Å; I149-P293 HydrophobicContact CD1-CB 3.94Å; I149-P293 HydrophobicContact CG1-CB 3.83Å; I149-P293 HydrophobicContact CG1-CG 4.25Å; I149-L294 HydrophobicContact CD1-CD2 3.86Å; I149-L294 HydrophobicContact CD1-CG 4.03Å; I149-L297 HydrophobicContact CD1-CD1 4.15Å
150I93.1Very high91.2Very high103 Ų10346.5 Ų46.553%0.52823%0.232SC..Hα-helixtrans-61.5-47.7179.3-69.5164.4000110.6C146 I147 L153 S154C146-I150 VanDerWaalsContact O-CG1 3.26Å; C146-I150 WeakPolarHBondContact O-CG1 3.35Å; C146-I150 PolarHBondContact O-N 2.9Å; I147-I150 PolarHBondContact O-N 2.98Å; I150-L153 PolarHBondContact O-N 3.3Å; I150-S154 PolarHBondContact O-N 3.26Å; I150-S154 PolarHBondContact O-OG 3.26Å
151I90.7Very high91.4Very high58 Ų5850.3 Ų50.330%0.29725%0.254SS..Hα-helixtrans-63.1-44.4178.7-65.1165.5000110.7M31 I147 T148 L153 S154 I155M31-I151 HydrophobicContact CE-CB 3.91Å; M31-I151 HydrophobicContact CE-CD1 3.99Å; M31-I151 HydrophobicContact CE-CG2 4.02Å; M31-I151 HydrophobicContact SD-CB 3.99Å; M31-I151 HydrophobicContact SD-CD1 4.14Å; M31-I151 HydrophobicContact SD-CG2 3.4Å; M31-I151 WeakPolarHBondContact SD-CG2 3.4Å; I147-I151 HydrophobicContact CG2-CD1 3.65Å; I147-I151 HydrophobicContact CG2-CG1 4.32Å; I147-I151 VanDerWaalsContact O-CG1 3.29Å; I147-I151 WeakPolarHBondContact O-CG1 3.35Å; I147-I151 PolarHBondContact O-N 3.4Å; T148-I151 PolarHBondContact O-N 3.43Å; I151-L153 PolarHBondContact O-N 2.48Å; I151-S154 PolarHBondContact O-N 3.11Å; I151-I155 HydrophobicContact CG2-CD1 3.87Å; I151-I155 HydrophobicContact CG2-CG1 4.48Å; I151-I155 WeakPolarHBondContact O-CG1 3.39Å; I151-I155 PolarHBondContact O-N 3.26Å
152A90.9Very high91.4Very high1 Ų154.3 Ų54.31%0.00827%0.269CS..Hα-helixtrans-59-47.9176.800000111.2T148 I149 S154 I155 M156 L289T148-A152 WeakPolarHBondContact O-CB 3.18Å; T148-A152 PolarHBondContact O-N 2.7Å; I149-A152 PolarHBondContact O-N 2.88Å; A152-S154 PolarHBondContact O-N 3.44Å; A152-I155 PolarHBondContact O-N 3.26Å; A152-M156 WeakPolarHBondContact O-CB 3.48Å; A152-M156 WeakPolarHBondContact O-CG 3.47Å; A152-M156 PolarHBondContact O-N 3.31Å; A152-L289 HydrophobicContact CB-CB 4.26Å
153L93.9Very high91.4Very high24 Ų2453 Ų5313%0.12626%0.263CS..Hα-helixtrans-60.6-43.9176.1-74.4174.3000112I149 I150 I151 I155 M156 F157 T164 F171 L290I149-L153 HydrophobicContact CG2-CD1 3.89Å; I149-L153 HydrophobicContact CG2-CG 4.36Å; I149-L153 WeakPolarHBondContact O-CB 3.47Å; I149-L153 VanDerWaalsContact O-CG 3.31Å; I149-L153 WeakPolarHBondContact O-CG 3.43Å; I149-L153 PolarHBondContact O-N 3.21Å; I150-L153 PolarHBondContact O-N 3.3Å; I151-L153 PolarHBondContact O-N 2.48Å; L153-I155 VanDerWaalsContact C-N 3.32Å; L153-I155 PolarHBondContact O-N 3.2Å; L153-M156 PolarHBondContact O-N 2.9Å; L153-F157 HydrophobicContact CB-CD2 4.4Å; L153-F157 HydrophobicContact CB-CE2 4.38Å; L153-F157 WeakPolarHBondContact O-CB 3.44Å; L153-F157 WeakPolarHBondContact O-CD2 3.37Å; L153-F157 PolarHBondContact O-N 3.31Å; L153-T164 HydrophobicContact CD2-CG2 4.23Å; L153-F171 HydrophobicContact CD1-CE1 4.3Å; L153-F171 HydrophobicContact CD1-CZ 4.33Å; L153-L290 HydrophobicContact CD1-CD1 4.42Å; L153-L290 HydrophobicContact CD2-CD1 3.7Å; L153-L290 HydrophobicContact CD2-CD2 4.32Å; L153-L290 HydrophobicContact CG-CD1 3.73Å
154S92.9Very high91.6Very high72 Ų7246 Ų4650%0.50324%0.236SC..Hα-helixtrans-58.8-43177.1-630000112.2I150 I151 A152 F158I150-S154 PolarHBondContact O-N 3.26Å; I150-S154 PolarHBondContact O-OG 3.26Å; I151-S154 PolarHBondContact O-N 3.11Å; A152-S154 PolarHBondContact O-N 3.44Å; S154-F158 PolarHBondContact O-N 3.45Å; S154-F158 VanDerWaalsContact O-N 3.13Å
155I90.5Very high91.8Very high40 Ų4050.5 Ų50.521%0.20526%0.26CS..Hα-helixtrans-68.2-42.1177.1-61.4164.5000110.7I151 A152 L153 F158 L159 Y286I151-I155 HydrophobicContact CG2-CD1 3.87Å; I151-I155 HydrophobicContact CG2-CG1 4.48Å; I151-I155 WeakPolarHBondContact O-CG1 3.39Å; I151-I155 PolarHBondContact O-N 3.26Å; A152-I155 PolarHBondContact O-N 3.26Å; L153-I155 VanDerWaalsContact C-N 3.32Å; L153-I155 PolarHBondContact O-N 3.2Å; I155-F158 WeakPolarHBondContact O-CB 3.46Å; I155-F158 PolarHBondContact O-N 2.84Å; I155-L159 HydrophobicContact CG2-CD1 4.22Å; I155-L159 HydrophobicContact CG2-CG 4.43Å; I155-L159 WeakPolarHBondContact O-CG 3.45Å; I155-L159 PolarHBondContact O-N 3.46Å; I155-Y286 HydrophobicContact CB-CE1 4.33Å; I155-Y286 HydrophobicContact CD1-CE1 3.82Å; I155-Y286 HydrophobicContact CG2-CD2 4.33Å; I155-Y286 HydrophobicContact CG2-CE1 4.07Å; I155-Y286 HydrophobicContact CG2-CE2 3.58Å; I155-Y286 VanDerWaalsContact CG2-CZ 3.43Å; I155-Y286 WeakPolarHBondContact CG2-OH 3.3Å
156M91.6Very high91.8Very high0 Ų051 Ų510%027%0.265CS..Hα-helixtrans-62-44.2177.7-69.6171.87400111.7A152 L153 F158 L159 D160 T164 A167 F283 Y286 L287 L290A152-M156 WeakPolarHBondContact O-CB 3.48Å; A152-M156 WeakPolarHBondContact O-CG 3.47Å; A152-M156 PolarHBondContact O-N 3.31Å; L153-M156 PolarHBondContact O-N 2.9Å; M156-F158 VanDerWaalsContact C-N 3.27Å; M156-F158 PolarHBondContact O-N 2.74Å; M156-L159 PolarHBondContact O-N 3.05Å; M156-L159 VanDerWaalsContact O-N 3.07Å; M156-D160 PolarHBondContact O-N 2.88Å; M156-T164 HydrophobicContact CB-CG2 3.95Å; M156-T164 WeakPolarHBondContact CB-OG1 3.44Å; M156-T164 PolarHBondContact O-OG1 2.9Å; M156-A167 HydrophobicContact CE-CB 3.83Å; M156-F283 HydrophobicContact CB-CE1 3.93Å; M156-F283 HydrophobicContact CB-CZ 4.14Å; M156-F283 HydrophobicContact CE-CD1 3.63Å; M156-F283 HydrophobicContact CE-CE1 3.61Å; M156-F283 HydrophobicContact CG-CD1 4.4Å; M156-F283 HydrophobicContact CG-CE1 4.11Å; M156-F283 WeakPolarHBondContact O-CZ 3.45Å; M156-Y286 HydrophobicContact CG-CG 4.3Å; M156-L287 HydrophobicContact CE-CD2 4.23Å; M156-L290 HydrophobicContact CE-CD2 4.08Å; M156-L290 HydrophobicContact SD-CB 4.48Å; M156-L290 HydrophobicContact SD-CD2 4.02Å
157F94.3Very high91.8Very high82 Ų8248.8 Ų48.836%0.3625%0.25SC..Hα-helixtrans-62-34.1175-83.1-64.1000112.8L153 V161 T164L153-F157 HydrophobicContact CB-CD2 4.4Å; L153-F157 HydrophobicContact CB-CE2 4.38Å; L153-F157 WeakPolarHBondContact O-CB 3.44Å; L153-F157 WeakPolarHBondContact O-CD2 3.37Å; L153-F157 PolarHBondContact O-N 3.31Å; F157-V161 HydrophobicContact CD1-CG1 4.38Å; F157-T164 HydrophobicContact CD1-CG2 3.7Å; F157-T164 HydrophobicContact CD2-CG2 3.75Å; F157-T164 HydrophobicContact CE1-CG2 3.6Å; F157-T164 HydrophobicContact CE2-CG2 3.64Å; F157-T164 HydrophobicContact CG-CG2 3.76Å; F157-T164 HydrophobicContact CZ-CG2 3.57Å; F157-T164 PolarHBondContact N-OG1 2.8Å
158F90.5Very high91.9Very high181 Ų18149.5 Ų49.579%0.79425%0.254SS*.Hα-helixtrans-69.7-32.3174.1-177-97000112.5S154 I155 M156S154-F158 PolarHBondContact O-N 3.45Å; S154-F158 VanDerWaalsContact O-N 3.13Å; I155-F158 WeakPolarHBondContact O-CB 3.46Å; I155-F158 PolarHBondContact O-N 2.84Å; M156-F158 VanDerWaalsContact C-N 3.27Å; M156-F158 PolarHBondContact O-N 2.74Å
159L87.7Confident92.1Very high34 Ų3455.1 Ų55.118%0.17828%0.278CS..Hα-helixtrans-78.2-52.9178.7-69.1174.2000112.5I155 M156 T279 A282 F283 Y286I155-L159 HydrophobicContact CG2-CD1 4.22Å; I155-L159 HydrophobicContact CG2-CG 4.43Å; I155-L159 WeakPolarHBondContact O-CG 3.45Å; I155-L159 PolarHBondContact O-N 3.46Å; M156-L159 PolarHBondContact O-N 3.05Å; M156-L159 VanDerWaalsContact O-N 3.07Å; L159-T279 HydrophobicContact CB-CG2 4.44Å; L159-A282 HydrophobicContact CD1-CB 4.16Å; L159-F283 HydrophobicContact CB-CD2 4.22Å; L159-F283 HydrophobicContact CB-CE2 3.43Å; L159-F283 VanDerWaalsContact CB-CE2 3.43Å; L159-F283 HydrophobicContact CB-CZ 4.13Å; L159-F283 HydrophobicContact CD1-CD2 4.19Å; L159-F283 HydrophobicContact CD1-CE2 4.15Å; L159-F283 HydrophobicContact CG-CE2 4.45Å; L159-Y286 HydrophobicContact CD1-CD2 4.05Å; L159-Y286 HydrophobicContact CD1-CE2 3.92Å
160D90Very high92.2Very high33 Ų3354.8 Ų54.818%0.17628%0.276CS..  trans-159125.9174.3-175.3-94.4000112.1M156 K162 L163 T164 I275 F283M156-D160 PolarHBondContact O-N 2.88Å; D160-K162 WeakPolarHBondContact OD1-CA 3.49Å; D160-K162 WeakPolarHBondContact OD1-CB 3.38Å; D160-K162 PolarHBondContact OD1-N 2.71Å; D160-L163 HydrophobicContact CB-CB 4.21Å; D160-L163 WeakPolarHBondContact OD1-CB 3.45Å; D160-L163 PolarHBondContact OD1-N 3.37Å; D160-T164 WeakPolarHBondContact O-CB 3.36Å; D160-T164 PolarHBondContact O-N 3.3Å; D160-T164 PolarHBondContact O-OG1 3.48Å; D160-I275 HydrophobicContact CB-CG2 4.31Å; D160-F283 HydrophobicContact CB-CE2 3.93Å; D160-F283 HydrophobicContact CB-CZ 3.97Å
161V92.8Very high92.2Very high81 Ų8151.3 Ų51.349%0.49126%0.257SS..Hα-helixtrans-71.2-39.7-177.1179.90000111.9F157 T164 L165F157-V161 HydrophobicContact CD1-CG1 4.38Å; V161-T164 PolarHBondContact O-N 3.33Å; V161-L165 HydrophobicContact CG1-CD1 4.26Å; V161-L165 WeakPolarHBondContact O-CG 3.46Å; V161-L165 PolarHBondContact O-N 2.98Å
162K91.7Very high92.4Very high137 Ų13752.5 Ų52.560%0.59627%0.268SS*.Hα-helixtrans-68.5-43.8-174.5-65.7178.5-178.51750111.2D160 T164 L165 A166 L269D160-K162 WeakPolarHBondContact OD1-CA 3.49Å; D160-K162 WeakPolarHBondContact OD1-CB 3.38Å; D160-K162 PolarHBondContact OD1-N 2.71Å; K162-T164 VanDerWaalsContact C-N 3.33Å; K162-L165 PolarHBondContact O-N 2.99Å; K162-A166 PolarHBondContact O-N 3.05Å; K162-A166 VanDerWaalsContact O-N 3.14Å; K162-L269 HydrophobicContact CB-CD1 4.24Å
163L91.2Very high92.6Very high0 Ų057.2 Ų57.20%029%0.289CS..Hα-helixtrans-68.7-34.1178-166.958.6000111.6D160 A166 A167 V262 V265 L269 I275 F283D160-L163 HydrophobicContact CB-CB 4.21Å; D160-L163 WeakPolarHBondContact OD1-CB 3.45Å; D160-L163 PolarHBondContact OD1-N 3.37Å; L163-A166 WeakPolarHBondContact O-CB 3.29Å; L163-A166 PolarHBondContact O-N 3.27Å; L163-A167 PolarHBondContact O-N 3.05Å; L163-A167 VanDerWaalsContact O-N 3.08Å; L163-V262 HydrophobicContact CD1-CG1 3.8Å; L163-V262 WeakPolarHBondContact CD1-O 3.43Å; L163-V262 HydrophobicContact CG-CG1 4.03Å; L163-V265 HydrophobicContact CD1-CB 4.29Å; L163-V265 HydrophobicContact CD1-CG1 4.15Å; L163-L269 HydrophobicContact CB-CD1 4.32Å; L163-L269 HydrophobicContact CD1-CD1 4.48Å; L163-I275 HydrophobicContact CD2-CD1 4.04Å; L163-F283 HydrophobicContact CB-CD1 4.3Å; L163-F283 HydrophobicContact CB-CE1 3.79Å; L163-F283 HydrophobicContact CB-CE2 4.5Å; L163-F283 HydrophobicContact CB-CZ 3.9Å; L163-F283 HydrophobicContact CD2-CB 3.95Å; L163-F283 HydrophobicContact CD2-CD1 3.46Å; L163-F283 VanDerWaalsContact CD2-CD1 3.46Å; L163-F283 HydrophobicContact CD2-CD2 3.68Å; L163-F283 HydrophobicContact CD2-CE1 3.77Å; L163-F283 HydrophobicContact CD2-CE2 3.93Å; L163-F283 HydrophobicContact CD2-CG 3.41Å; L163-F283 VanDerWaalsContact CD2-CG 3.41Å; L163-F283 HydrophobicContact CD2-CZ 3.99Å; L163-F283 HydrophobicContact CG-CD1 3.64Å; L163-F283 HydrophobicContact CG-CE1 3.64Å; L163-F283 HydrophobicContact CG-CG 4.14Å; L163-F283 HydrophobicContact CG-CZ 4.13Å
164T93.8Very high92.6Very high0 Ų056.7 Ų56.70%029%0.285CS..Hα-helixtrans-67.4-40.6173.9-550000112.2L153 M156 F157 D160 V161 K162 A166 A167 L168L153-T164 HydrophobicContact CD2-CG2 4.23Å; M156-T164 HydrophobicContact CB-CG2 3.95Å; M156-T164 WeakPolarHBondContact CB-OG1 3.44Å; M156-T164 PolarHBondContact O-OG1 2.9Å; F157-T164 HydrophobicContact CD1-CG2 3.7Å; F157-T164 HydrophobicContact CD2-CG2 3.75Å; F157-T164 HydrophobicContact CE1-CG2 3.6Å; F157-T164 HydrophobicContact CE2-CG2 3.64Å; F157-T164 HydrophobicContact CG-CG2 3.76Å; F157-T164 HydrophobicContact CZ-CG2 3.57Å; F157-T164 PolarHBondContact N-OG1 2.8Å; D160-T164 WeakPolarHBondContact O-CB 3.36Å; D160-T164 PolarHBondContact O-N 3.3Å; D160-T164 PolarHBondContact O-OG1 3.48Å; V161-T164 PolarHBondContact O-N 3.33Å; K162-T164 VanDerWaalsContact C-N 3.33Å; T164-A166 VanDerWaalsContact C-N 3.28Å; T164-A166 PolarHBondContact O-N 2.87Å; T164-A167 WeakPolarHBondContact O-CB 3.42Å; T164-A167 PolarHBondContact O-N 3.42Å; T164-A167 VanDerWaalsContact O-N 3.14Å; T164-L168 PolarHBondContact O-N 2.83Å
165L94Very high92.7Very high98 Ų9858.3 Ų58.351%0.51329%0.287SS..Hα-helixtrans-61.8-36.9173.4-71.4172.8000111.9V161 K162 A167 L168 F169V161-L165 HydrophobicContact CG1-CD1 4.26Å; V161-L165 WeakPolarHBondContact O-CG 3.46Å; V161-L165 PolarHBondContact O-N 2.98Å; K162-L165 PolarHBondContact O-N 2.99Å; L165-A167 VanDerWaalsContact C-N 3.35Å; L165-L168 PolarHBondContact O-N 2.99Å; L165-F169 PolarHBondContact O-N 2.92Å
166A92.3Very high92.9Very high15 Ų1561.5 Ų61.512%0.12430%0.304CS..Hα-helixtrans-63-39.7173.200000112.2K162 L163 T164 F169 I261 V265K162-A166 PolarHBondContact O-N 3.05Å; K162-A166 VanDerWaalsContact O-N 3.14Å; L163-A166 WeakPolarHBondContact O-CB 3.29Å; L163-A166 PolarHBondContact O-N 3.27Å; T164-A166 VanDerWaalsContact C-N 3.28Å; T164-A166 PolarHBondContact O-N 2.87Å; A166-F169 WeakPolarHBondContact O-CB 3.39Å; A166-F169 PolarHBondContact O-N 2.83Å; A166-I261 HydrophobicContact CB-CG2 4.41Å; A166-V265 HydrophobicContact CB-CB 4.16Å; A166-V265 HydrophobicContact CB-CG1 4.04Å; A166-V265 HydrophobicContact CB-CG2 4.13Å
167A92.5Very high93Very high0 Ų062.6 Ų62.60%031%0.311CS..Hα-helixtrans-65.7-38.6174.100000112.4M156 L163 T164 L165 F169 V262 L290M156-A167 HydrophobicContact CE-CB 3.83Å; L163-A167 PolarHBondContact O-N 3.05Å; L163-A167 VanDerWaalsContact O-N 3.08Å; T164-A167 WeakPolarHBondContact O-CB 3.42Å; T164-A167 PolarHBondContact O-N 3.42Å; T164-A167 VanDerWaalsContact O-N 3.14Å; L165-A167 VanDerWaalsContact C-N 3.35Å; A167-F169 PolarHBondContact O-N 3.32Å; A167-V262 VanDerWaalsContact CA-CG2 3.47Å; A167-V262 HydrophobicContact CB-CG2 3.53Å; A167-L290 HydrophobicContact CB-CD2 4.01Å
168L93.7Very high92.9Very high59 Ų5959.6 Ų59.631%0.30930%0.299SS..Hα-helixtrans-70.2-20-178.9-166.966.7000113T164 L165 I170 F171 P172T164-L168 PolarHBondContact O-N 2.83Å; L165-L168 PolarHBondContact O-N 2.99Å; L168-I170 PolarHBondContact O-N 3.05Å; L168-F171 HydrophobicContact CD1-CB 4.03Å; L168-F171 HydrophobicContact CD1-CD1 3.72Å; L168-F171 HydrophobicContact CD1-CD2 3.9Å; L168-F171 HydrophobicContact CD1-CE1 4.12Å; L168-F171 HydrophobicContact CD1-CE2 4.29Å; L168-F171 HydrophobicContact CD1-CG 3.62Å; L168-F171 HydrophobicContact CD1-CZ 4.39Å; L168-F171 WeakPolarHBondContact O-CB 3.45Å; L168-F171 PolarHBondContact O-N 2.96Å; L168-P172 WeakPolarHBondContact O-CD 3.24Å
169F94Very high93Very high124 Ų12459.8 Ų59.854%0.54430%0.296SS..THydrogen-bonded Turntrans-52.9-30.9179.2-179-102.3000113.7L165 A166 A167 P172 F173 I261L165-F169 PolarHBondContact O-N 2.92Å; A166-F169 WeakPolarHBondContact O-CB 3.39Å; A166-F169 PolarHBondContact O-N 2.83Å; A167-F169 PolarHBondContact O-N 3.32Å; F169-P172 WeakPolarHBondContact O-CD 3.34Å; F169-F173 HydrophobicContact CD1-CE2 4.33Å; F169-F173 AromaticContact CE1-CE2 3.83Å; F169-F173 HydrophobicContact CE1-CE2 3.83Å; F169-F173 HydrophobicContact CE1-CZ 4.5Å; F169-F173 HydrophobicContact CE2-CE2 4.41Å; F169-F173 AromaticContact CZ-CE2 3.88Å; F169-F173 HydrophobicContact CZ-CE2 3.88Å; F169-F173 HydrophobicContact CZ-CZ 4.28Å; F169-F173 WeakPolarHBondContact O-CD2 3.37Å; F169-I261 HydrophobicContact CD1-CD1 3.89Å; F169-I261 HydrophobicContact CE1-CD1 4.35Å
170I93.4Very high93.3Very high8 Ų862.2 Ų62.24%0.04131%0.312CS..THydrogen-bonded Turntrans-77.8-20.4179.4-71.4-55000113.7L168 F173 Y174 V254 I257 I261 F291L168-I170 PolarHBondContact O-N 3.05Å; I170-F173 PolarHBondContact O-N 3.41Å; I170-Y174 PolarHBondContact O-N 3.05Å; I170-V254 HydrophobicContact CG2-CG1 3.67Å; I170-V254 VanDerWaalsContact CG2-O 3.24Å; I170-V254 WeakPolarHBondContact CG2-O 3.46Å; I170-I257 HydrophobicContact CD1-CB 4.32Å; I170-I257 HydrophobicContact CD1-CG2 3.94Å; I170-I261 HydrophobicContact CD1-CD1 3.84Å; I170-I261 HydrophobicContact CG1-CD1 4.15Å; I170-F291 HydrophobicContact CB-CE1 4.42Å; I170-F291 HydrophobicContact CG2-CE1 4.18Å
171F93.7Very high93.4Very high31 Ų3162 Ų6214%0.13631%0.309CS..Hα-helixtrans-61.2-44.9-173.1-85.4-129.9000114I149 L153 L168 F173 Y174 I175 L290 L294I149-F171 HydrophobicContact CG2-CE1 4.19Å; I149-F171 HydrophobicContact CG2-CZ 4.14Å; L153-F171 HydrophobicContact CD1-CE1 4.3Å; L153-F171 HydrophobicContact CD1-CZ 4.33Å; L168-F171 HydrophobicContact CD1-CB 4.03Å; L168-F171 HydrophobicContact CD1-CD1 3.72Å; L168-F171 HydrophobicContact CD1-CD2 3.9Å; L168-F171 HydrophobicContact CD1-CE1 4.12Å; L168-F171 HydrophobicContact CD1-CE2 4.29Å; L168-F171 HydrophobicContact CD1-CG 3.62Å; L168-F171 HydrophobicContact CD1-CZ 4.39Å; L168-F171 WeakPolarHBondContact O-CB 3.45Å; L168-F171 PolarHBondContact O-N 2.96Å; F171-F173 VanDerWaalsContact C-N 3.29Å; F171-F173 PolarHBondContact O-N 3.48Å; F171-Y174 WeakPolarHBondContact O-CB 3.2Å; F171-Y174 PolarHBondContact O-N 3.47Å; F171-I175 WeakPolarHBondContact O-CG1 3.48Å; F171-I175 PolarHBondContact O-N 2.92Å; F171-L290 HydrophobicContact CE2-CD1 4.26Å; F171-L290 HydrophobicContact CE2-CD2 4.28Å; F171-L290 HydrophobicContact CE2-CG 4.31Å; F171-L290 HydrophobicContact CZ-CD1 3.82Å; F171-L290 HydrophobicContact CZ-CG 4.32Å; F171-L294 HydrophobicContact CD2-CD1 4.42Å; F171-L294 HydrophobicContact CE2-CD1 3.72Å; F171-L294 HydrophobicContact CZ-CD1 3.85Å
172P95.2Very high93.3Very high82 Ų8261 Ų6153%0.53230%0.299SS..Hα-helixtrans-57.7-41.4175.9-26.235.4000112.8L168 F169 I175 L176L168-P172 WeakPolarHBondContact O-CD 3.24Å; F169-P172 WeakPolarHBondContact O-CD 3.34Å; P172-I175 PolarHBondContact O-N 3.48Å; P172-L176 VanDerWaalsContact O-CB 3.31Å; P172-L176 WeakPolarHBondContact O-CB 3.32Å; P172-L176 PolarHBondContact O-N 3.01Å
173F95.2Very high93.2Very high100 Ų10056.9 Ų56.944%0.43930%0.295SS..Hα-helixtrans-67.3-39.8177.4-60.9-81.6000111.8F169 I170 F171 T177 V254F169-F173 HydrophobicContact CD1-CE2 4.33Å; F169-F173 AromaticContact CE1-CE2 3.83Å; F169-F173 HydrophobicContact CE1-CE2 3.83Å; F169-F173 HydrophobicContact CE1-CZ 4.5Å; F169-F173 HydrophobicContact CE2-CE2 4.41Å; F169-F173 AromaticContact CZ-CE2 3.88Å; F169-F173 HydrophobicContact CZ-CE2 3.88Å; F169-F173 HydrophobicContact CZ-CZ 4.28Å; F169-F173 WeakPolarHBondContact O-CD2 3.37Å; I170-F173 PolarHBondContact O-N 3.41Å; F171-F173 VanDerWaalsContact C-N 3.29Å; F171-F173 PolarHBondContact O-N 3.48Å; F173-T177 WeakPolarHBondContact O-CB 3.33Å; F173-T177 PolarHBondContact O-N 3.05Å; F173-T177 PolarHBondContact O-OG1 3.43Å; F173-V254 HydrophobicContact CB-CG1 4.04Å
174Y94.1Very high93.4Very high13 Ų1361.6 Ų61.65%0.05131%0.313CS..Hα-helixtrans-60.8-50.6174.3171.5-90.7000111.4I170 F171 L176 T177 V178 I251 T255 L294 L297I170-Y174 PolarHBondContact O-N 3.05Å; F171-Y174 WeakPolarHBondContact O-CB 3.2Å; F171-Y174 PolarHBondContact O-N 3.47Å; Y174-L176 PolarHBondContact O-N 3.37Å; Y174-T177 PolarHBondContact O-N 3.38Å; Y174-V178 HydrophobicContact CD1-CG2 4.44Å; Y174-V178 HydrophobicContact CE1-CG2 3.98Å; Y174-V178 HydrophobicContact CE2-CG2 4.23Å; Y174-V178 WeakPolarHBondContact O-CG2 3.42Å; Y174-V178 PolarHBondContact O-N 3.41Å; Y174-I251 HydrophobicContact CD2-CG2 3.62Å; Y174-I251 HydrophobicContact CE2-CG2 3.43Å; Y174-I251 VanDerWaalsContact CE2-CG2 3.43Å; Y174-T255 HydrophobicContact CD2-CG2 3.97Å; Y174-T255 HydrophobicContact CE2-CG2 4.31Å; Y174-L294 HydrophobicContact CD1-CD2 3.94Å; Y174-L294 HydrophobicContact CD2-CB 4.48Å; Y174-L294 HydrophobicContact CD2-CD2 4.44Å; Y174-L294 HydrophobicContact CE1-CD2 3.61Å; Y174-L294 HydrophobicContact CE2-CB 4.02Å; Y174-L294 HydrophobicContact CE2-CD2 4.13Å; Y174-L294 WeakPolarHBondContact CE2-O 3.32Å; Y174-L294 HydrophobicContact CG-CD2 4.36Å; Y174-L294 PolarHBondContact OH-O 2.9Å; Y174-L294 VanDerWaalsContact OH-O 3.1Å; Y174-L297 WeakPolarHBondContact OH-CB 3.3Å
175I93.9Very high93.4Very high107 Ų10761.7 Ų61.755%0.54931%0.314SS..Hα-helixtrans-61.3-45.1-179.8-67.7168.4000110.7F171 P172 T177 V178 Y179F171-I175 WeakPolarHBondContact O-CG1 3.48Å; F171-I175 PolarHBondContact O-N 2.92Å; P172-I175 PolarHBondContact O-N 3.48Å; I175-T177 VanDerWaalsContact C-N 3.33Å; I175-T177 PolarHBondContact O-N 3.43Å; I175-V178 PolarHBondContact O-N 2.96Å; I175-Y179 WeakPolarHBondContact O-CB 3.39Å; I175-Y179 PolarHBondContact O-N 3.29Å
176L95.2Very high93.3Very high106 Ų10661.1 Ų61.156%0.55531%0.305SS*.Hα-helixtrans-59.4-45.4176.9-179.763.7000111.4P172 Y174 Y179 V180P172-L176 VanDerWaalsContact O-CB 3.31Å; P172-L176 WeakPolarHBondContact O-CB 3.32Å; P172-L176 PolarHBondContact O-N 3.01Å; Y174-L176 PolarHBondContact O-N 3.37Å; L176-Y179 PolarHBondContact O-N 2.93Å; L176-V180 HydrophobicContact CD1-CG2 4.34Å; L176-V180 VanDerWaalsContact O-CG2 3.3Å; L176-V180 WeakPolarHBondContact O-CG2 3.15Å; L176-V180 PolarHBondContact O-N 3.03Å
177T94Very high93.4Very high23 Ų2366 Ų6614%0.14132%0.323CS..Hα-helixtrans-59.8-50.3178.7-56.50000110.6F173 Y174 I175 Y179 V180 F181 A250 I251F173-T177 WeakPolarHBondContact O-CB 3.33Å; F173-T177 PolarHBondContact O-N 3.05Å; F173-T177 PolarHBondContact O-OG1 3.43Å; Y174-T177 PolarHBondContact O-N 3.38Å; I175-T177 VanDerWaalsContact C-N 3.33Å; I175-T177 PolarHBondContact O-N 3.43Å; T177-Y179 VanDerWaalsContact C-N 3.33Å; T177-Y179 PolarHBondContact O-N 3.14Å; T177-V180 PolarHBondContact O-N 2.77Å; T177-F181 HydrophobicContact CG2-CD2 3.89Å; T177-F181 HydrophobicContact CG2-CE2 3.87Å; T177-F181 VanDerWaalsContact O-CD2 3.23Å; T177-F181 WeakPolarHBondContact O-CD2 3.36Å; T177-F181 PolarHBondContact O-N 3.07Å; T177-A250 HydrophobicContact CG2-CB 3.72Å; T177-I251 HydrophobicContact CG2-CD1 4.32Å; T177-I251 HydrophobicContact CG2-CG1 3.43Å; T177-I251 VanDerWaalsContact CG2-CG1 3.43Å
178V91.9Very high93.6Very high19 Ų1966.1 Ų66.112%0.11532%0.324CS..Hα-helixtrans-57-47177.1171.30000111.3Y174 I175 V180 F181 F182 I251 F301Y174-V178 HydrophobicContact CD1-CG2 4.44Å; Y174-V178 HydrophobicContact CE1-CG2 3.98Å; Y174-V178 HydrophobicContact CE2-CG2 4.23Å; Y174-V178 WeakPolarHBondContact O-CG2 3.42Å; Y174-V178 PolarHBondContact O-N 3.41Å; I175-V178 PolarHBondContact O-N 2.96Å; V178-V180 PolarHBondContact O-N 3.29Å; V178-F181 PolarHBondContact O-N 2.96Å; V178-F182 WeakPolarHBondContact O-CB 3.47Å; V178-F182 PolarHBondContact O-N 3.4Å; V178-I251 HydrophobicContact CG2-CD1 3.85Å; V178-F301 HydrophobicContact CB-CE2 4.34Å; V178-F301 HydrophobicContact CG1-CD1 4.36Å; V178-F301 HydrophobicContact CG1-CD2 3.76Å; V178-F301 HydrophobicContact CG1-CE1 4.18Å; V178-F301 HydrophobicContact CG1-CE2 3.56Å; V178-F301 HydrophobicContact CG1-CG 4.19Å; V178-F301 HydrophobicContact CG1-CZ 3.8Å; V178-F301 HydrophobicContact CG2-CD2 4.09Å; V178-F301 HydrophobicContact CG2-CE2 3.76Å
179Y92.3Very high93.7Very high186 Ų18663.3 Ų63.373%0.72931%0.309SS*.Hα-helixtrans-59.8-43.9-178.5179.4-98.7000112.6I175 L176 T177 F181I175-Y179 WeakPolarHBondContact O-CB 3.39Å; I175-Y179 PolarHBondContact O-N 3.29Å; L176-Y179 PolarHBondContact O-N 2.93Å; T177-Y179 VanDerWaalsContact C-N 3.33Å; T177-Y179 PolarHBondContact O-N 3.14Å; Y179-F181 PolarHBondContact O-N 2.84Å
180V93.7Very high93.7Very high85 Ų8563.2 Ų63.252%0.51531%0.305SS..Hα-helixtrans-63.3-41.9-179.9169.70000111.9L176 T177 V178L176-V180 HydrophobicContact CD1-CG2 4.34Å; L176-V180 VanDerWaalsContact O-CG2 3.3Å; L176-V180 WeakPolarHBondContact O-CG2 3.15Å; L176-V180 PolarHBondContact O-N 3.03Å; T177-V180 PolarHBondContact O-N 2.77Å; V178-V180 PolarHBondContact O-N 3.29Å
181F93.5Very high93.9Very high27 Ų2765 Ų6512%0.11831%0.313CS..Hα-helixtrans-81.4-32-176.1-75.7-73.3000113.9T177 V178 Y179 G183 R184 L185 W243 A250T177-F181 HydrophobicContact CG2-CD2 3.89Å; T177-F181 HydrophobicContact CG2-CE2 3.87Å; T177-F181 VanDerWaalsContact O-CD2 3.23Å; T177-F181 WeakPolarHBondContact O-CD2 3.36Å; T177-F181 PolarHBondContact O-N 3.07Å; V178-F181 PolarHBondContact O-N 2.96Å; Y179-F181 PolarHBondContact O-N 2.84Å; F181-G183 PolarHBondContact O-N 2.74Å; F181-R184 PolarHBondContact O-N 3.34Å; F181-L185 HydrophobicContact CB-CD1 4.29Å; F181-L185 WeakPolarHBondContact O-CG 3.45Å; F181-L185 PolarHBondContact O-N 3.41Å; F181-W243 AromaticContact CD1-CE3 3.7Å; F181-W243 HydrophobicContact CD1-CE3 3.7Å; F181-W243 AromaticContact CD1-CZ3 3.92Å; F181-W243 HydrophobicContact CD1-CZ3 3.92Å; F181-W243 AromaticContact CE1-CE3 3.74Å; F181-W243 HydrophobicContact CE1-CE3 3.74Å; F181-W243 AromaticContact CE1-CZ3 3.78Å; F181-W243 HydrophobicContact CE1-CZ3 3.78Å; F181-A250 HydrophobicContact CE2-CB 3.85Å; F181-A250 HydrophobicContact CZ-CB 4.33Å
182F90.1Very high94Very high61 Ų6166 Ų6627%0.26832%0.316SS..Hα-helixtrans-57-51.9-169.1-174.3-93000114V178 R184 L185 R186 F301 T305 F308V178-F182 WeakPolarHBondContact O-CB 3.47Å; V178-F182 PolarHBondContact O-N 3.4Å; F182-R184 VanDerWaalsContact C-N 3.33Å; F182-R184 PolarHBondContact O-N 2.99Å; F182-L185 PolarHBondContact O-N 3.44Å; F182-R186 PolarHBondContact O-N 2.79Å; F182-F301 HydrophobicContact CD2-CD1 4.4Å; F182-F301 HydrophobicContact CE2-CD1 4.41Å; F182-T305 HydrophobicContact CD2-CG2 3.81Å; F182-T305 HydrophobicContact CE2-CG2 3.66Å; F182-T305 HydrophobicContact CG-CG2 4.41Å; F182-T305 HydrophobicContact CZ-CG2 4.14Å; F182-F308 HydrophobicContact CZ-CD2 4.17Å; F182-F308 HydrophobicContact CZ-CE2 4.15Å
183G90Very high94Very high50 Ų5062.4 Ų62.452%0.51529%0.293SS..Hα-helixtrans-63.8-38.4-176.600000112.9F181 K187F181-G183 PolarHBondContact O-N 2.74Å; G183-K187 PolarHBondContact O-N 3.29Å
184R94.3Very high94Very high99 Ų9960.2 Ų60.237%0.37428%0.284SS..Hα-helixtrans-70.4-44.4178.7-170.762.4169.2-165.8-3111.4F181 F182 K187 L188 W243F181-R184 PolarHBondContact O-N 3.34Å; F182-R184 VanDerWaalsContact C-N 3.33Å; F182-R184 PolarHBondContact O-N 2.99Å; R184-K187 PolarHBondContact O-N 3.44Å; R184-L188 HydrophobicContact CG-CD1 4.08Å; R184-L188 VanDerWaalsContact O-CG 3.29Å; R184-L188 WeakPolarHBondContact O-CG 3.49Å; R184-L188 PolarHBondContact O-N 3.17Å; R184-W243 HydrophobicContact CB-CE3 4.35Å; R184-W243 HydrophobicContact CB-CZ3 4.44Å; R184-W243 HydrophobicContact CG-CD2 3.76Å; R184-W243 HydrophobicContact CG-CE3 3.87Å; R184-W243 HydrophobicContact CG-CG 4.34Å; R184-W243 HydrophobicContact CG-CH2 4.15Å; R184-W243 HydrophobicContact CG-CZ2 4.04Å; R184-W243 HydrophobicContact CG-CZ3 4.07Å
185L94Very high94.1Very high3 Ų359.8 Ų59.82%0.01628%0.283CS..Hα-helixtrans-58.4-49.8175.9-77.1173.9000111F181 F182 K187 L188 T189 W243 N244 T305F181-L185 HydrophobicContact CB-CD1 4.29Å; F181-L185 WeakPolarHBondContact O-CG 3.45Å; F181-L185 PolarHBondContact O-N 3.41Å; F182-L185 PolarHBondContact O-N 3.44Å; L185-K187 VanDerWaalsContact C-N 3.31Å; L185-K187 PolarHBondContact O-N 2.9Å; L185-L188 PolarHBondContact O-N 3.06Å; L185-L188 VanDerWaalsContact O-N 3.12Å; L185-T189 WeakPolarHBondContact O-CB 3.4Å; L185-T189 PolarHBondContact O-N 3.37Å; L185-T189 PolarHBondContact O-OG1 3.33Å; L185-W243 HydrophobicContact CD2-CB 3.89Å; L185-N244 HydrophobicContact CD2-CB 4.19Å; L185-T305 HydrophobicContact CB-CG2 4.17Å
186R92.4Very high94.2Very high86 Ų8657.5 Ų57.533%0.32527%0.272SS..Hα-helixtrans-53.6-45.3177.4-174.1178.4174.2-171.3-2.1113.1F182 T189 R190 T305 D312F182-R186 PolarHBondContact O-N 2.79Å; R186-T189 PolarHBondContact O-N 3.27Å; R186-R190 PolarHBondContact O-N 3Å; R186-R190 VanDerWaalsContact O-N 3.11Å; R186-T305 HydrophobicContact CB-CG2 4.11Å; R186-D312 IonicContact CZ-OD2 3.17Å; R186-D312 IonicContact NE-OD2 3.41Å; R186-D312 IonicContact NH2-OD1 3.7Å; R186-D312 PolarHBondContact NH2-OD1 3.45Å; R186-D312 IonicContact NH2-OD2 3.74Å; R186-D312 PolarHBondContact NH2-OD2 3.22Å
187K95.1Very high94.1Very high118 Ų11852.5 Ų52.551%0.51325%0.245SC..Hα-helixtrans-62.7-49.1177.5-178.3176.8177.9172.90111.7G183 R184 L185 T189 R190 E191G183-K187 PolarHBondContact O-N 3.29Å; R184-K187 PolarHBondContact O-N 3.44Å; L185-K187 VanDerWaalsContact C-N 3.31Å; L185-K187 PolarHBondContact O-N 2.9Å; K187-T189 VanDerWaalsContact C-N 3.27Å; K187-T189 PolarHBondContact O-N 3.39Å; K187-R190 PolarHBondContact O-N 2.99Å; K187-E191 WeakPolarHBondContact CE-OE1 3.44Å; K187-E191 WeakPolarHBondContact O-CG 3.38Å; K187-E191 PolarHBondContact O-N 3.45Å
188L96.6Very high94.2Very high2 Ų254.2 Ų54.21%0.0125%0.252CS..Hα-helixtrans-63.6-35.5-179.2-66.6174.9000112.1R184 L185 E191 R192 K239 H240 W243R184-L188 HydrophobicContact CG-CD1 4.08Å; R184-L188 VanDerWaalsContact O-CG 3.29Å; R184-L188 WeakPolarHBondContact O-CG 3.49Å; R184-L188 PolarHBondContact O-N 3.17Å; L185-L188 PolarHBondContact O-N 3.06Å; L185-L188 VanDerWaalsContact O-N 3.12Å; L188-E191 PolarHBondContact O-N 3.22Å; L188-R192 WeakPolarHBondContact O-CB 2.91Å; L188-R192 PolarHBondContact O-N 3.07Å; L188-K239 HydrophobicContact CD1-CG 4.41Å; L188-K239 HydrophobicContact CD2-CD 3.6Å; L188-K239 HydrophobicContact CD2-CG 3.81Å; L188-H240 HydrophobicContact CB-CB 4.24Å; L188-W243 HydrophobicContact CD1-CB 3.72Å; L188-W243 HydrophobicContact CD1-CD2 4.37Å; L188-W243 HydrophobicContact CD1-CG 3.5Å
189T94.9Very high94.4Very high0 Ų054 Ų540%025%0.25CS..Hα-helixtrans-65.3-43.4175.9-56.80000112L185 R186 K187 E191 R192 S193 H240 Q306 A309L185-T189 WeakPolarHBondContact O-CB 3.4Å; L185-T189 PolarHBondContact O-N 3.37Å; L185-T189 PolarHBondContact O-OG1 3.33Å; R186-T189 PolarHBondContact O-N 3.27Å; K187-T189 VanDerWaalsContact C-N 3.27Å; K187-T189 PolarHBondContact O-N 3.39Å; T189-E191 PolarHBondContact O-N 2.91Å; T189-R192 PolarHBondContact O-N 3.3Å; T189-S193 PolarHBondContact O-N 3.04Å; T189-S193 PolarHBondContact O-OG 2.96Å; T189-H240 PolarHBondContact OG1-CD2 3.46Å; T189-H240 PolarHBondContact OG1-NE2 3.43Å; T189-Q306 HydrophobicContact CG2-CB 4.07Å; T189-Q306 VanDerWaalsContact CG2-CD 3.49Å; T189-Q306 HydrophobicContact CG2-CG 4.41Å; T189-A309 HydrophobicContact CG2-CB 4.05Å
190R93.9Very high94.5Very high122 Ų12247.8 Ų47.846%0.4623%0.228SC..Hα-helixtrans-61.4-43.9174.3-173.7179.5175.3-164.7-0.3112.1R186 K187 R192 S193 Q194 A309R186-R190 PolarHBondContact O-N 3Å; R186-R190 VanDerWaalsContact O-N 3.11Å; K187-R190 PolarHBondContact O-N 2.99Å; R190-R192 VanDerWaalsContact C-N 3.32Å; R190-R192 PolarHBondContact O-N 2.9Å; R190-S193 PolarHBondContact O-N 3.48Å; R190-Q194 WeakPolarHBondContact O-CB 3.48Å; R190-Q194 PolarHBondContact O-N 3.43Å; R190-A309 HydrophobicContact CB-CB 3.94Å
191E97.2Very high94.6Very high45 Ų4543.8 Ų43.821%0.2120%0.204CC..Hα-helixtrans-60.3-41.8175.4-69.6176.1-165.100111.5K187 L188 T189 Q194 A195 R236K187-E191 WeakPolarHBondContact CE-OE1 3.44Å; K187-E191 WeakPolarHBondContact O-CG 3.38Å; K187-E191 PolarHBondContact O-N 3.45Å; L188-E191 PolarHBondContact O-N 3.22Å; T189-E191 PolarHBondContact O-N 2.91Å; E191-Q194 PolarHBondContact O-N 3.01Å; E191-A195 PolarHBondContact O-N 3.18Å; E191-R236 IonicContact OE2-CZ 3.85Å; E191-R236 IonicContact OE2-NH1 3.09Å; E191-R236 PolarHBondContact OE2-NH1 3.07Å
192R96.7Very high94.6Very high51 Ų5143 Ų4319%0.19220%0.201CC..Hα-helixtrans-64.8-46.5177.4-166.7-167.183.4-138.34.2112.2L188 T189 R190 Q194 A195 L196 F233 A237 H240 Q306L188-R192 WeakPolarHBondContact O-CB 2.91Å; L188-R192 PolarHBondContact O-N 3.07Å; T189-R192 PolarHBondContact O-N 3.3Å; R190-R192 VanDerWaalsContact C-N 3.32Å; R190-R192 PolarHBondContact O-N 2.9Å; R192-Q194 VanDerWaalsContact C-N 3.33Å; R192-Q194 PolarHBondContact O-N 3.4Å; R192-A195 PolarHBondContact O-N 3.34Å; R192-L196 PolarHBondContact O-N 3.31Å; R192-F233 HydrophobicContact CG-CE2 3.96Å; R192-A237 HydrophobicContact CG-CB 4.22Å; R192-H240 PolarHBondContact NH1-CD2 2.98Å; R192-H240 PolarHBondContact NH1-CE1 3.46Å; R192-H240 PolarHBondContact NH1-ND1 2.92Å; R192-H240 PolarHBondContact NH1-NE2 3.15Å; R192-H240 VanDerWaalsContact NH1-NE2 3.11Å; R192-Q306 VanDerWaalsContact CZ-OE1 3.25Å
193S94.3Very high94.8Very high8 Ų844.4 Ų44.46%0.05621%0.21CC..Hα-helixtrans-63.3-38.3176.7-69.90000112.2T189 R190 L196 A197 Q306T189-S193 PolarHBondContact O-N 3.04Å; T189-S193 PolarHBondContact O-OG 2.96Å; R190-S193 PolarHBondContact O-N 3.48Å; S193-L196 PolarHBondContact O-N 2.97Å; S193-A197 PolarHBondContact O-N 3.32Å; S193-Q306 PolarHBondContact OG-NE2 3.31Å
194Q95.6Very high95Very high54 Ų5444.3 Ų44.325%0.25220%0.197SC..Hα-helixtrans-64.1-45.2174.9177.958.944.400112R190 E191 R192 L196 A197 E198R190-Q194 WeakPolarHBondContact O-CB 3.48Å; R190-Q194 PolarHBondContact O-N 3.43Å; E191-Q194 PolarHBondContact O-N 3.01Å; R192-Q194 VanDerWaalsContact C-N 3.33Å; R192-Q194 PolarHBondContact O-N 3.4Å; Q194-L196 VanDerWaalsContact C-N 3.28Å; Q194-L196 PolarHBondContact O-N 3.15Å; Q194-A197 PolarHBondContact O-N 3.31Å; Q194-A197 VanDerWaalsContact O-N 3.16Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.49Å; Q194-E198 PolarHBondContact NE2-OE1 3.37Å; Q194-E198 VanDerWaalsContact NE2-OE1 3.08Å; Q194-E198 WeakPolarHBondContact O-CG 3.5Å; Q194-E198 PolarHBondContact O-N 2.98Å
195A97.1Very high94.9Very high3 Ų343.2 Ų43.23%0.02520%0.196CC..Hα-helixtrans-62.4-35.5176.400000112.4E191 R192 E198 V199 F233 R236E191-A195 PolarHBondContact O-N 3.18Å; R192-A195 PolarHBondContact O-N 3.34Å; A195-E198 PolarHBondContact O-N 3.39Å; A195-V199 WeakPolarHBondContact O-CG2 3.46Å; A195-V199 PolarHBondContact O-N 2.81Å; A195-V199 VanDerWaalsContact O-N 3.13Å; A195-F233 HydrophobicContact CB-CB 4.17Å; A195-F233 HydrophobicContact CB-CD2 4.13Å; A195-R236 HydrophobicContact CB-CG 4.23Å
196L95.3Very high94.9Very high60 Ų6046.7 Ų46.731%0.31421%0.209SC..Hα-helixtrans-63.8-43.8173.4-178.459.9000111.9R192 S193 Q194 E198 V199 Q200 F233R192-L196 PolarHBondContact O-N 3.31Å; S193-L196 PolarHBondContact O-N 2.97Å; Q194-L196 VanDerWaalsContact C-N 3.28Å; Q194-L196 PolarHBondContact O-N 3.15Å; L196-E198 VanDerWaalsContact C-N 3.31Å; L196-E198 PolarHBondContact O-N 3.48Å; L196-V199 PolarHBondContact O-N 3.01Å; L196-Q200 PolarHBondContact O-N 2.77Å; L196-F233 HydrophobicContact CB-CD2 4.02Å; L196-F233 HydrophobicContact CB-CE2 3.76Å; L196-F233 HydrophobicContact CD1-CE2 4.18Å; L196-F233 HydrophobicContact CD1-CZ 4.24Å; L196-F233 HydrophobicContact CG-CE2 4.44Å
197A94Very high94.9Very high0 Ų047 Ų470%022%0.22CC..Hα-helixtrans-62.3-38.7176.900000111.9Q119 S193 Q194 V199 Q200 G201Q119-A197 HydrophobicContact CG-CB 4.41Å; Q119-A197 WeakPolarHBondContact CG-O 3.38Å; S193-A197 PolarHBondContact O-N 3.32Å; Q194-A197 PolarHBondContact O-N 3.31Å; Q194-A197 VanDerWaalsContact O-N 3.16Å; A197-V199 VanDerWaalsContact C-N 3.34Å; A197-V199 PolarHBondContact O-N 2.78Å; A197-Q200 PolarHBondContact O-N 3.08Å; A197-G201 PolarHBondContact O-N 3.39Å
198E95.8Very high94.6Very high59 Ų5944.8 Ų44.828%0.27621%0.211SC..Hα-helixtrans-63.2-37.9175-72.8165.5-15900112.9Q194 A195 L196 F202Q194-E198 WeakPolarHBondContact CG-OE1 3.49Å; Q194-E198 PolarHBondContact NE2-OE1 3.37Å; Q194-E198 VanDerWaalsContact NE2-OE1 3.08Å; Q194-E198 WeakPolarHBondContact O-CG 3.5Å; Q194-E198 PolarHBondContact O-N 2.98Å; A195-E198 PolarHBondContact O-N 3.39Å; L196-E198 VanDerWaalsContact C-N 3.31Å; L196-E198 PolarHBondContact O-N 3.48Å; E198-F202 WeakPolarHBondContact O-CB 3.46Å; E198-F202 PolarHBondContact O-N 3.23Å
199V96.2Very high94.3Very high15 Ų1545.9 Ų45.99%0.09122%0.223CC..Hα-helixtrans-65.6-45.5173.4173.10000110.4A195 L196 A197 G201 F202 L203 F226 K229 F233A195-V199 WeakPolarHBondContact O-CG2 3.46Å; A195-V199 PolarHBondContact O-N 2.81Å; A195-V199 VanDerWaalsContact O-N 3.13Å; L196-V199 PolarHBondContact O-N 3.01Å; A197-V199 VanDerWaalsContact C-N 3.34Å; A197-V199 PolarHBondContact O-N 2.78Å; V199-G201 PolarHBondContact O-N 3.31Å; V199-F202 PolarHBondContact O-N 3.05Å; V199-L203 WeakPolarHBondContact O-CB 3.49Å; V199-L203 PolarHBondContact O-N 3.34Å; V199-F226 HydrophobicContact CG1-CE2 3.94Å; V199-F226 HydrophobicContact CG1-CZ 4.32Å; V199-K229 HydrophobicContact CG2-CB 4.17Å; V199-F233 HydrophobicContact CG2-CB 4.05Å
200Q94.7Very high94.3Very high55 Ų5549.8 Ų49.826%0.25724%0.243SC..Hα-helixtrans-63.2-40.8176.7-72.8177.2-56.900112.3S122 N126 L196 A197 L203 H204S122-Q200 PolarHBondContact OG-OE1 2.82Å; N126-Q200 PolarHBondContact OD1-NE2 3.28Å; L196-Q200 PolarHBondContact O-N 2.77Å; A197-Q200 PolarHBondContact O-N 3.08Å; Q200-L203 PolarHBondContact O-N 3.36Å; Q200-H204 WeakPolarHBondContact O-CB 3.37Å; Q200-H204 PolarHBondContact O-N 3.34Å
201G94.3Very high94.3Very high1 Ų147.8 Ų47.81%0.0125%0.248CC..Hα-helixtrans-61.1-47.8175.200000112.3A197 V199 H204 E205A197-G201 PolarHBondContact O-N 3.39Å; V199-G201 PolarHBondContact O-N 3.31Å; G201-H204 PolarHBondContact O-N 3.41Å; G201-E205 PolarHBondContact O-N 2.64Å
202F95.1Very high94.2Very high11 Ų1149.4 Ų49.45%0.04826%0.26CS..Hα-helixtrans-62.4-45.6175.7178.7-94.8000112.2E198 V199 H204 E205 R206 N225 F226 K229E198-F202 WeakPolarHBondContact O-CB 3.46Å; E198-F202 PolarHBondContact O-N 3.23Å; V199-F202 PolarHBondContact O-N 3.05Å; F202-H204 VanDerWaalsContact C-N 3.34Å; F202-H204 PolarHBondContact O-N 3.37Å; F202-E205 PolarHBondContact O-N 3.03Å; F202-R206 HydrophobicContact CD1-CG 4.13Å; F202-R206 HydrophobicContact CD2-CG 4.42Å; F202-R206 HydrophobicContact CE1-CG 3.7Å; F202-R206 HydrophobicContact CE2-CG 4.08Å; F202-R206 HydrophobicContact CG-CG 4.49Å; F202-R206 HydrophobicContact CZ-CG 3.69Å; F202-R206 WeakPolarHBondContact O-CG 3.43Å; F202-R206 PolarHBondContact O-N 3.11Å; F202-N225 HydrophobicContact CE2-CB 4.27Å; F202-N225 HydrophobicContact CZ-CB 3.84Å; F202-F226 AromaticContact CD1-CD2 3.94Å; F202-F226 HydrophobicContact CD1-CD2 3.94Å; F202-F226 HydrophobicContact CE1-CB 3.84Å; F202-F226 HydrophobicContact CE1-CD2 4Å; F202-F226 HydrophobicContact CE1-CG 4.44Å; F202-K229 HydrophobicContact CB-CD 3.43Å; F202-K229 VanDerWaalsContact CB-CD 3.43Å; F202-K229 HydrophobicContact CD1-CD 4.06Å; F202-K229 HydrophobicContact CD2-CD 3.61Å; F202-K229 HydrophobicContact CE2-CD 4.31Å; F202-K229 HydrophobicContact CG-CD 3.41Å; F202-K229 VanDerWaalsContact CG-CD 3.41Å
203L93.9Very high94.1Very high90 Ų9047.6 Ų47.647%0.47126%0.255SS..Hα-helixtrans-61.3-44.5179.8-177.163.8000111.4V199 Q200 E205 R206 V207V199-L203 WeakPolarHBondContact O-CB 3.49Å; V199-L203 PolarHBondContact O-N 3.34Å; Q200-L203 PolarHBondContact O-N 3.36Å; L203-E205 VanDerWaalsContact C-N 3.33Å; L203-E205 PolarHBondContact O-N 3.13Å; L203-R206 PolarHBondContact O-N 3.4Å; L203-V207 HydrophobicContact CD1-CG2 4.04Å; L203-V207 HydrophobicContact CG-CG2 4.25Å; L203-V207 WeakPolarHBondContact O-CB 3.37Å; L203-V207 VanDerWaalsContact O-CG2 3.25Å; L203-V207 WeakPolarHBondContact O-CG2 3.27Å; L203-V207 PolarHBondContact O-N 3.22Å
204H93.1Very high94.2Very high49 Ų4953.8 Ų53.823%0.22728%0.281CS..Hα-helixtrans-57.5-45.8177.2-178.374.1000112Q200 G201 F202 V207 Q208Q200-H204 WeakPolarHBondContact O-CB 3.37Å; Q200-H204 PolarHBondContact O-N 3.34Å; G201-H204 PolarHBondContact O-N 3.41Å; F202-H204 VanDerWaalsContact C-N 3.34Å; F202-H204 PolarHBondContact O-N 3.37Å; H204-V207 PolarHBondContact O-N 2.7Å; H204-Q208 PolarHBondContact CE1-NE2 2.98Å; H204-Q208 PolarHBondContact NE2-NE2 3.02Å; H204-Q208 WeakPolarHBondContact O-CG 3.25Å; H204-Q208 PolarHBondContact O-N 2.95Å
205E93.1Very high94.3Very high76 Ų7655.2 Ų55.236%0.35530%0.297SS..Hα-helixtrans-62.6-44178.6-166.5-172.9149.600112.3Q116 G201 F202 L203 Q208 G209Q116-E205 PolarHBondContact NE2-OE2 2.87Å; G201-E205 PolarHBondContact O-N 2.64Å; F202-E205 PolarHBondContact O-N 3.03Å; L203-E205 VanDerWaalsContact C-N 3.33Å; L203-E205 PolarHBondContact O-N 3.13Å; E205-Q208 PolarHBondContact O-N 2.89Å; E205-G209 PolarHBondContact O-N 3.03Å
206R93.7Very high94.3Very high76 Ų7662.1 Ų62.129%0.28733%0.327SS..Hα-helixtrans-73.9-31.6179.8-54.1-43.4152-157.7-13.1113.5F202 L203 G209 I210 E222F202-R206 HydrophobicContact CD1-CG 4.13Å; F202-R206 HydrophobicContact CD2-CG 4.42Å; F202-R206 HydrophobicContact CE1-CG 3.7Å; F202-R206 HydrophobicContact CE2-CG 4.08Å; F202-R206 HydrophobicContact CG-CG 4.49Å; F202-R206 HydrophobicContact CZ-CG 3.69Å; F202-R206 WeakPolarHBondContact O-CG 3.43Å; F202-R206 PolarHBondContact O-N 3.11Å; L203-R206 PolarHBondContact O-N 3.4Å; R206-G209 CarbonylContact O-C 3.59Å; R206-G209 PolarHBondContact O-N 3.09Å; R206-I210 WeakPolarHBondContact O-CA 3.4Å; R206-I210 PolarHBondContact O-N 2.95Å; R206-E222 WeakPolarHBondContact CD-OE2 3.45Å; R206-E222 IonicContact NE-OE2 2.79Å
207V92.3Very high94.4Very high93 Ų9362.9 Ų62.956%0.56434%0.342SS*.Hα-helixtrans-66.9-42.3173.7170.90000110.4L203 H204 G209 I210L203-V207 HydrophobicContact CD1-CG2 4.04Å; L203-V207 HydrophobicContact CG-CG2 4.25Å; L203-V207 WeakPolarHBondContact O-CB 3.37Å; L203-V207 VanDerWaalsContact O-CG2 3.25Å; L203-V207 WeakPolarHBondContact O-CG2 3.27Å; L203-V207 PolarHBondContact O-N 3.22Å; H204-V207 PolarHBondContact O-N 2.7Å; V207-G209 VanDerWaalsContact C-N 3.34Å; V207-I210 WeakPolarHBondContact O-CG2 3.15Å; V207-I210 PolarHBondContact O-N 3.21Å
208Q88.4Confident94.5Very high71 Ų7165.9 Ų65.933%0.33236%0.357SS..Hα-helixtrans-65.4-37.2174.1-75-174.4-15.600112.6H204 E205H204-Q208 PolarHBondContact CE1-NE2 2.98Å; H204-Q208 PolarHBondContact NE2-NE2 3.02Å; H204-Q208 WeakPolarHBondContact O-CG 3.25Å; H204-Q208 PolarHBondContact O-N 2.95Å; E205-Q208 PolarHBondContact O-N 2.89Å
209G91.2Very high94.6Very high25 Ų2567.2 Ų67.226%0.25836%0.363SS..THydrogen-bonded Turntrans-9318.2179.600000115.2E205 R206 V207 S211 V212 V213E205-G209 PolarHBondContact O-N 3.03Å; R206-G209 CarbonylContact O-C 3.59Å; R206-G209 PolarHBondContact O-N 3.09Å; V207-G209 VanDerWaalsContact C-N 3.34Å; G209-S211 PolarHBondContact O-N 3.4Å; G209-V212 WeakPolarHBondContact O-CB 3.2Å; G209-V212 PolarHBondContact O-N 3.17Å; G209-V213 PolarHBondContact O-N 3.23Å
210I94.3Very high94.6Very high82 Ų8272.9 Ų72.942%0.42139%0.393SS..Hα-helixtrans-62.3-31-168.5-169.660.3000113.4R206 V207 V212 V213 K214R206-I210 WeakPolarHBondContact O-CA 3.4Å; R206-I210 PolarHBondContact O-N 2.95Å; V207-I210 WeakPolarHBondContact O-CG2 3.15Å; V207-I210 PolarHBondContact O-N 3.21Å; I210-V212 VanDerWaalsContact C-N 3.27Å; I210-V212 PolarHBondContact O-N 3.28Å; I210-V213 HydrophobicContact CD1-CB 4.33Å; I210-V213 PolarHBondContact O-N 3.29Å; I210-K214 WeakPolarHBondContact O-CG 3.41Å; I210-K214 PolarHBondContact O-N 2.99Å
211S92.9Very high94.7Very high80 Ų8074 Ų7456%0.55940%0.401SS*.Hα-helixtrans-61.3-37.2175.852.20000112G209 K214 S215G209-S211 PolarHBondContact O-N 3.4Å; S211-K214 PolarHBondContact O-N 3.41Å; S211-S215 WeakPolarHBondContact O-CB 3.47Å; S211-S215 PolarHBondContact O-N 3.49Å; S211-S215 PolarHBondContact O-OG 3.09Å
212V95.2Very high94.8Very high78 Ų7875.4 Ų75.447%0.47341%0.407SS..Hα-helixtrans-68.6-43.6177.1-179.70000110.4G209 I210 K214 S215 F216G209-V212 WeakPolarHBondContact O-CB 3.2Å; G209-V212 PolarHBondContact O-N 3.17Å; I210-V212 VanDerWaalsContact C-N 3.27Å; I210-V212 PolarHBondContact O-N 3.28Å; V212-K214 VanDerWaalsContact C-N 3.26Å; V212-K214 PolarHBondContact O-N 2.91Å; V212-S215 WeakPolarHBondContact CA-OG 3.42Å; V212-S215 PolarHBondContact O-N 3.17Å; V212-S215 PolarHBondContact O-OG 3.44Å; V212-F216 HydrophobicContact CG1-CD2 3.75Å; V212-F216 HydrophobicContact CG1-CE2 3.86Å; V212-F216 VanDerWaalsContact O-CD2 3.28Å; V212-F216 WeakPolarHBondContact O-CD2 3.35Å; V212-F216 PolarHBondContact O-N 3.36Å; V212-F216 VanDerWaalsContact O-N 3.14Å
213V95.9Very high94.9Very high13 Ų1377.5 Ų77.58%0.07943%0.427CS..Hα-helixtrans-57.4-44.9176.5179.40000110.4G209 I210 A217 I218 E219 E222G209-V213 PolarHBondContact O-N 3.23Å; I210-V213 HydrophobicContact CD1-CB 4.33Å; I210-V213 PolarHBondContact O-N 3.29Å; V213-A217 PolarHBondContact O-N 3.27Å; V213-I218 HydrophobicContact CG1-CG1 4.16Å; V213-I218 WeakPolarHBondContact O-CG1 3.37Å; V213-I218 PolarHBondContact O-N 3.02Å; V213-I218 VanDerWaalsContact O-N 3.11Å; V213-E219 HydrophobicContact CG1-CG 4.02Å; V213-E222 HydrophobicContact CG1-CB 4.24Å; V213-E222 HydrophobicContact CG1-CG 3.87Å; V213-E222 HydrophobicContact CG2-CG 4.01Å
214K96.9Very high95.1Very high138 Ų13880.1 Ų80.160%0.643%0.434SS*.Hα-helixtrans-69.1-41.4177.2-71.1-177.6174.8-175.10113.4I210 S211 V212 F216 A217I210-K214 WeakPolarHBondContact O-CG 3.41Å; I210-K214 PolarHBondContact O-N 2.99Å; S211-K214 PolarHBondContact O-N 3.41Å; V212-K214 VanDerWaalsContact C-N 3.26Å; V212-K214 PolarHBondContact O-N 2.91Å; K214-F216 PolarHBondContact O-N 3.26Å; K214-A217 PolarHBondContact O-N 3.19Å; K214-A217 VanDerWaalsContact O-N 3.08Å
215S97.5Very high95.3Very high85 Ų8580.7 Ų80.759%0.59444%0.439SS*.Hα-helixtrans-64.7-31.1-177.666.50000112.3S211 V212S211-S215 WeakPolarHBondContact O-CB 3.47Å; S211-S215 PolarHBondContact O-N 3.49Å; S211-S215 PolarHBondContact O-OG 3.09Å; V212-S215 WeakPolarHBondContact CA-OG 3.42Å; V212-S215 PolarHBondContact O-N 3.17Å; V212-S215 PolarHBondContact O-OG 3.44Å
216F97Very high95.5Very high147 Ų14780.4 Ų80.465%0.64544%0.437SS*.THydrogen-bonded Turntrans-94.60.3175.7-69.1-74000113.5V212 K214 I218V212-F216 HydrophobicContact CG1-CD2 3.75Å; V212-F216 HydrophobicContact CG1-CE2 3.86Å; V212-F216 VanDerWaalsContact O-CD2 3.28Å; V212-F216 WeakPolarHBondContact O-CD2 3.35Å; V212-F216 PolarHBondContact O-N 3.36Å; V212-F216 VanDerWaalsContact O-N 3.14Å; K214-F216 PolarHBondContact O-N 3.26Å; F216-I218 HydrophobicContact CB-CD1 4.41Å; F216-I218 HydrophobicContact CB-CG1 4.13Å; F216-I218 HydrophobicContact CB-CG2 4.01Å; F216-I218 WeakPolarHBondContact O-CG2 3.36Å; F216-I218 PolarHBondContact O-N 3.21Å
217A96.7Very high95.7Very high77 Ų7781 Ų8164%0.63645%0.446SS*.THydrogen-bonded Turntrans49.441.5-177.100000113.1V213 K214 E219V213-A217 PolarHBondContact O-N 3.27Å; K214-A217 PolarHBondContact O-N 3.19Å; K214-A217 VanDerWaalsContact O-N 3.08Å; A217-E219 VanDerWaalsContact CA-OE2 3.22Å; A217-E219 WeakPolarHBondContact CA-OE2 3.47Å
218I96.2Very high95.9Very high63 Ų6384.2 Ų84.232%0.32345%0.452SS..  trans-103.421-175.858.1167.6000113.1V213 F216 D220 N221 E222V213-I218 HydrophobicContact CG1-CG1 4.16Å; V213-I218 WeakPolarHBondContact O-CG1 3.37Å; V213-I218 PolarHBondContact O-N 3.02Å; V213-I218 VanDerWaalsContact O-N 3.11Å; F216-I218 HydrophobicContact CB-CD1 4.41Å; F216-I218 HydrophobicContact CB-CG1 4.13Å; F216-I218 HydrophobicContact CB-CG2 4.01Å; F216-I218 WeakPolarHBondContact O-CG2 3.36Å; F216-I218 PolarHBondContact O-N 3.21Å; I218-D220 VanDerWaalsContact C-N 3.27Å; I218-D220 PolarHBondContact O-N 3.49Å; I218-N221 HydrophobicContact CB-CB 4.24Å; I218-N221 WeakPolarHBondContact O-CB 3.46Å; I218-N221 PolarHBondContact O-N 2.96Å; I218-E222 HydrophobicContact CD1-CG 4.25Å; I218-E222 HydrophobicContact CG1-CG 4.33Å; I218-E222 PolarHBondContact O-N 2.94Å
219E97.2Very high96.3Very high86 Ų8684.1 Ų84.140%0.40245%0.45SS..Hα-helixtrans-53.5-43.2-178.9-67.986.3162.700112.2V213 A217 N221 E222 A223V213-E219 HydrophobicContact CG1-CG 4.02Å; A217-E219 VanDerWaalsContact CA-OE2 3.22Å; A217-E219 WeakPolarHBondContact CA-OE2 3.47Å; E219-N221 VanDerWaalsContact C-N 3.33Å; E219-N221 PolarHBondContact O-N 2.87Å; E219-E222 PolarHBondContact O-N 2.8Å; E219-A223 WeakPolarHBondContact O-CB 3.31Å; E219-A223 PolarHBondContact O-N 2.96Å
220D97.3Very high96.6Very high134 Ų13485.8 Ų85.872%0.71745%0.454SS*.Hα-helixtrans-66.8-34.5178.6-72-26.5000112.6I218 K224I218-D220 VanDerWaalsContact C-N 3.27Å; I218-D220 PolarHBondContact O-N 3.49Å; D220-K224 WeakPolarHBondContact O-CG 3.35Å; D220-K224 PolarHBondContact O-N 2.98Å
221N97Very high96.8Very high78 Ų7884.8 Ų84.842%0.41745%0.451SS..Hα-helixtrans-70.8-42.9175.3-175.971.5000110.8I218 E219 A223 K224 N225I218-N221 HydrophobicContact CB-CB 4.24Å; I218-N221 WeakPolarHBondContact O-CB 3.46Å; I218-N221 PolarHBondContact O-N 2.96Å; E219-N221 VanDerWaalsContact C-N 3.33Å; E219-N221 PolarHBondContact O-N 2.87Å; N221-A223 VanDerWaalsContact C-N 3.29Å; N221-A223 PolarHBondContact O-N 2.79Å; N221-K224 WeakPolarHBondContact O-CB 3.34Å; N221-K224 PolarHBondContact O-N 3.06Å; N221-K224 VanDerWaalsContact O-N 3.16Å; N221-N225 PolarHBondContact ND2-ND2 3.49Å; N221-N225 PolarHBondContact O-N 3.24Å
222E96.3Very high97.1Very high31 Ų3183.6 Ų83.615%0.14544%0.439CS..Hα-helixtrans-65.1-34174.9-73.5-53.811100112.2R206 V213 I218 E219 K224 N225 F226R206-E222 WeakPolarHBondContact CD-OE2 3.45Å; R206-E222 IonicContact NE-OE2 2.79Å; V213-E222 HydrophobicContact CG1-CB 4.24Å; V213-E222 HydrophobicContact CG1-CG 3.87Å; V213-E222 HydrophobicContact CG2-CG 4.01Å; I218-E222 HydrophobicContact CD1-CG 4.25Å; I218-E222 HydrophobicContact CG1-CG 4.33Å; I218-E222 PolarHBondContact O-N 2.94Å; E219-E222 PolarHBondContact O-N 2.8Å; E222-K224 VanDerWaalsContact C-N 3.33Å; E222-K224 PolarHBondContact O-N 3.06Å; E222-N225 PolarHBondContact O-N 3Å; E222-N225 PolarHBondContact OE1-ND2 2.91Å; E222-F226 WeakPolarHBondContact O-CB 3.44Å; E222-F226 PolarHBondContact O-N 3.43Å
223A96.8Very high97.2Very high55 Ų5582.2 Ų82.246%0.45543%0.426SS..Hα-helixtrans-61-40.9171.900000111.7E219 N221 F226 D227E219-A223 WeakPolarHBondContact O-CB 3.31Å; E219-A223 PolarHBondContact O-N 2.96Å; N221-A223 VanDerWaalsContact C-N 3.29Å; N221-A223 PolarHBondContact O-N 2.79Å; A223-F226 PolarHBondContact O-N 2.94Å; A223-D227 WeakPolarHBondContact O-CB 3.33Å; A223-D227 PolarHBondContact O-N 2.8Å
224K97.8Very high97.4Very high146 Ų14685.9 Ų85.964%0.63545%0.445SS*.Hα-helixtrans-66.1-40.6173.7-67.8169.7-174.8172.10112.2D220 N221 E222 F226 D227 K228D220-K224 WeakPolarHBondContact O-CG 3.35Å; D220-K224 PolarHBondContact O-N 2.98Å; N221-K224 WeakPolarHBondContact O-CB 3.34Å; N221-K224 PolarHBondContact O-N 3.06Å; N221-K224 VanDerWaalsContact O-N 3.16Å; E222-K224 VanDerWaalsContact C-N 3.33Å; E222-K224 PolarHBondContact O-N 3.06Å; K224-F226 VanDerWaalsContact C-N 3.34Å; K224-D227 PolarHBondContact O-N 3.45Å; K224-K228 PolarHBondContact O-N 3.24Å
225N96.8Very high97.5Very high61 Ų6183.1 Ų83.133%0.32644%0.44SS..Hα-helixtrans-63.1-41.8175.9-73.5-28.1000111.7F202 N221 E222 K228 K229F202-N225 HydrophobicContact CE2-CB 4.27Å; F202-N225 HydrophobicContact CZ-CB 3.84Å; N221-N225 PolarHBondContact ND2-ND2 3.49Å; N221-N225 PolarHBondContact O-N 3.24Å; E222-N225 PolarHBondContact O-N 3Å; E222-N225 PolarHBondContact OE1-ND2 2.91Å; N225-K228 PolarHBondContact O-N 3.36Å; N225-K229 PolarHBondContact O-N 2.92Å
226F97.1Very high97.5Very high69 Ų6983.2 Ų83.230%0.30343%0.427SS..Hα-helixtrans-61.8-48.4172.6-178.5-100000111.2V199 F202 E222 A223 K224 K228 K229 N230V199-F226 HydrophobicContact CG1-CE2 3.94Å; V199-F226 HydrophobicContact CG1-CZ 4.32Å; F202-F226 AromaticContact CD1-CD2 3.94Å; F202-F226 HydrophobicContact CD1-CD2 3.94Å; F202-F226 HydrophobicContact CE1-CB 3.84Å; F202-F226 HydrophobicContact CE1-CD2 4Å; F202-F226 HydrophobicContact CE1-CG 4.44Å; E222-F226 WeakPolarHBondContact O-CB 3.44Å; E222-F226 PolarHBondContact O-N 3.43Å; A223-F226 PolarHBondContact O-N 2.94Å; K224-F226 VanDerWaalsContact C-N 3.34Å; F226-K228 VanDerWaalsContact C-N 3.26Å; F226-K228 PolarHBondContact O-N 3.45Å; F226-K229 PolarHBondContact O-N 3.02Å; F226-N230 HydrophobicContact CD1-CB 4.37Å; F226-N230 HydrophobicContact CE1-CB 4.09Å; F226-N230 HydrophobicContact CZ-CB 4.5Å; F226-N230 WeakPolarHBondContact O-CB 3.31Å; F226-N230 PolarHBondContact O-N 3.2Å
227D97.9Very high97.6Very high89 Ų8977 Ų7748%0.47640%0.403SS..Hα-helixtrans-58.1-37.9-179.7-175.463.7000112.2A223 K224 K229 N230 T231A223-D227 WeakPolarHBondContact O-CB 3.33Å; A223-D227 PolarHBondContact O-N 2.8Å; K224-D227 PolarHBondContact O-N 3.45Å; D227-K229 PolarHBondContact O-N 3.22Å; D227-N230 PolarHBondContact O-N 3.4Å; D227-T231 WeakPolarHBondContact O-CB 3.41Å; D227-T231 PolarHBondContact O-N 3.47Å; D227-T231 PolarHBondContact O-OG1 3.13Å
228K98Very high97.6Very high160 Ų16078.3 Ų78.370%0.69640%0.399SS*.Hα-helixtrans-59.6-45.6174.1-172.6178.4-177.9177.60112.5K224 N225 F226 N232K224-K228 PolarHBondContact O-N 3.24Å; N225-K228 PolarHBondContact O-N 3.36Å; F226-K228 VanDerWaalsContact C-N 3.26Å; F226-K228 PolarHBondContact O-N 3.45Å; K228-N232 PolarHBondContact O-N 3.28Å; K228-N232 VanDerWaalsContact O-N 3.07Å
229K96.9Very high97.7Very high69 Ų6978.3 Ų78.330%0.340%0.397SS..Hα-helixtrans-70.3-40.1178-70.4179.2179.7-78.10111.5V199 F202 N225 F226 D227 N232 F233V199-K229 HydrophobicContact CG2-CB 4.17Å; F202-K229 HydrophobicContact CB-CD 3.43Å; F202-K229 VanDerWaalsContact CB-CD 3.43Å; F202-K229 HydrophobicContact CD1-CD 4.06Å; F202-K229 HydrophobicContact CD2-CD 3.61Å; F202-K229 HydrophobicContact CE2-CD 4.31Å; F202-K229 HydrophobicContact CG-CD 3.41Å; F202-K229 VanDerWaalsContact CG-CD 3.41Å; N225-K229 PolarHBondContact O-N 2.92Å; F226-K229 PolarHBondContact O-N 3.02Å; D227-K229 PolarHBondContact O-N 3.22Å; K229-N232 WeakPolarHBondContact O-CB 3.4Å; K229-N232 PolarHBondContact O-N 2.97Å; K229-F233 PolarHBondContact O-N 3.03Å
230N97.8Very high97.7Very high61 Ų6175 Ų7533%0.32638%0.381SS..Hα-helixtrans-65.2-40.2177.2-164.936.4000111.6F226 D227 F233 L234F226-N230 HydrophobicContact CD1-CB 4.37Å; F226-N230 HydrophobicContact CE1-CB 4.09Å; F226-N230 HydrophobicContact CZ-CB 4.5Å; F226-N230 WeakPolarHBondContact O-CB 3.31Å; F226-N230 PolarHBondContact O-N 3.2Å; D227-N230 PolarHBondContact O-N 3.4Å; N230-F233 WeakPolarHBondContact O-CB 3.45Å; N230-F233 PolarHBondContact O-N 3.3Å; N230-L234 WeakPolarHBondContact O-CB 3.36Å; N230-L234 PolarHBondContact O-N 2.78Å
231T98.5Very high97.7Very high61 Ų6172.3 Ų72.337%0.37437%0.369SS..Hα-helixtrans-65.3-38.5174.1-69.20000111.7D227 L234 T235D227-T231 WeakPolarHBondContact O-CB 3.41Å; D227-T231 PolarHBondContact O-N 3.47Å; D227-T231 PolarHBondContact O-OG1 3.13Å; T231-L234 PolarHBondContact O-N 3.04Å; T231-T235 WeakPolarHBondContact O-CB 3.43Å; T231-T235 PolarHBondContact O-N 3.37Å; T231-T235 PolarHBondContact O-OG1 3.36Å
232N98.4Very high97.7Very high54 Ų5475.2 Ų75.229%0.28938%0.375SS..Hα-helixtrans-60.7-48.1171.217751.8000110.8K228 K229 L234 T235 R236K228-N232 PolarHBondContact O-N 3.28Å; K228-N232 VanDerWaalsContact O-N 3.07Å; K229-N232 WeakPolarHBondContact O-CB 3.4Å; K229-N232 PolarHBondContact O-N 2.97Å; N232-L234 PolarHBondContact O-N 3.48Å; N232-T235 PolarHBondContact O-N 2.8Å; N232-R236 WeakPolarHBondContact O-CG 3.45Å; N232-R236 PolarHBondContact O-N 2.91Å
233F98.2Very high97.7Very high50 Ų5076.9 Ų76.922%0.21938%0.38CS..Hα-helixtrans-57.8-48.2174.6171.3-108.6000112.1R192 A195 L196 V199 K229 N230 T235 R236 A237R192-F233 HydrophobicContact CG-CE2 3.96Å; A195-F233 HydrophobicContact CB-CB 4.17Å; A195-F233 HydrophobicContact CB-CD2 4.13Å; L196-F233 HydrophobicContact CB-CD2 4.02Å; L196-F233 HydrophobicContact CB-CE2 3.76Å; L196-F233 HydrophobicContact CD1-CE2 4.18Å; L196-F233 HydrophobicContact CD1-CZ 4.24Å; L196-F233 HydrophobicContact CG-CE2 4.44Å; V199-F233 HydrophobicContact CG2-CB 4.05Å; K229-F233 PolarHBondContact O-N 3.03Å; N230-F233 WeakPolarHBondContact O-CB 3.45Å; N230-F233 PolarHBondContact O-N 3.3Å; F233-T235 VanDerWaalsContact C-N 3.34Å; F233-T235 PolarHBondContact O-N 3.16Å; F233-R236 PolarHBondContact O-N 3.27Å; F233-A237 VanDerWaalsContact O-CB 3.31Å; F233-A237 WeakPolarHBondContact O-CB 3.41Å; F233-A237 PolarHBondContact O-N 3.02Å
234L98.6Very high97.6Very high90 Ų9076.6 Ų76.647%0.47137%0.37SS..Hα-helixtrans-58-45177.3178.762000111.6N230 T231 N232 R236 A237 L238N230-L234 WeakPolarHBondContact O-CB 3.36Å; N230-L234 PolarHBondContact O-N 2.78Å; T231-L234 PolarHBondContact O-N 3.04Å; N232-L234 PolarHBondContact O-N 3.48Å; L234-R236 PolarHBondContact O-N 3.01Å; L234-A237 PolarHBondContact O-N 3.14Å; L234-L238 HydrophobicContact CD1-CD1 4.05Å; L234-L238 HydrophobicContact CD1-CD2 4.48Å; L234-L238 HydrophobicContact CD1-CG 3.96Å; L234-L238 HydrophobicContact CG-CD1 4Å; L234-L238 HydrophobicContact CG-CG 4.3Å; L234-L238 WeakPolarHBondContact O-CB 3.46Å; L234-L238 WeakPolarHBondContact O-CG 3.44Å; L234-L238 PolarHBondContact O-N 3.23Å
235T98.7Very high97.5Very high80 Ų8072.2 Ų72.249%0.49136%0.362SS..Hα-helixtrans-62.1-43.4178.9-59.50000111.3T231 N232 F233 K239T231-T235 WeakPolarHBondContact O-CB 3.43Å; T231-T235 PolarHBondContact O-N 3.37Å; T231-T235 PolarHBondContact O-OG1 3.36Å; N232-T235 PolarHBondContact O-N 2.8Å; F233-T235 VanDerWaalsContact C-N 3.34Å; F233-T235 PolarHBondContact O-N 3.16Å; T235-K239 WeakPolarHBondContact O-CB 3.39Å; T235-K239 PolarHBondContact O-N 3.06Å
236R98.3Very high97.5Very high86 Ų8675.7 Ų75.733%0.32537%0.371SS..Hα-helixtrans-66.4-39.8175-61.4-60.8175.6163.9-2.2111.6E191 A195 N232 F233 L234 K239 H240E191-R236 IonicContact OE2-CZ 3.85Å; E191-R236 IonicContact OE2-NH1 3.09Å; E191-R236 PolarHBondContact OE2-NH1 3.07Å; A195-R236 HydrophobicContact CB-CG 4.23Å; N232-R236 WeakPolarHBondContact O-CG 3.45Å; N232-R236 PolarHBondContact O-N 2.91Å; F233-R236 PolarHBondContact O-N 3.27Å; L234-R236 PolarHBondContact O-N 3.01Å; R236-K239 PolarHBondContact O-N 3.02Å; R236-H240 WeakPolarHBondContact O-CB 3.46Å; R236-H240 PolarHBondContact O-N 2.94Å
237A98.2Very high97.3Very high17 Ų1772.7 Ų72.714%0.1436%0.359CS..Hα-helixtrans-63.9-48.5176.900000111.7R192 F233 L234 K239 H240 T241R192-A237 HydrophobicContact CG-CB 4.22Å; F233-A237 VanDerWaalsContact O-CB 3.31Å; F233-A237 WeakPolarHBondContact O-CB 3.41Å; F233-A237 PolarHBondContact O-N 3.02Å; L234-A237 PolarHBondContact O-N 3.14Å; A237-K239 VanDerWaalsContact C-N 3.33Å; A237-K239 PolarHBondContact O-N 3.07Å; A237-H240 WeakPolarHBondContact O-CB 3.47Å; A237-H240 PolarHBondContact O-N 3.31Å; A237-T241 WeakPolarHBondContact O-CB 3.29Å; A237-T241 PolarHBondContact O-N 3.36Å; A237-T241 PolarHBondContact O-OG1 3.46Å
238L98.5Very high97.1Very high104 Ų10473.4 Ų73.455%0.54536%0.358SS..Hα-helixtrans-63.2-38.7177.1-71.1176.8000112L234 T241 R242L234-L238 HydrophobicContact CD1-CD1 4.05Å; L234-L238 HydrophobicContact CD1-CD2 4.48Å; L234-L238 HydrophobicContact CD1-CG 3.96Å; L234-L238 HydrophobicContact CG-CD1 4Å; L234-L238 HydrophobicContact CG-CG 4.3Å; L234-L238 WeakPolarHBondContact O-CB 3.46Å; L234-L238 WeakPolarHBondContact O-CG 3.44Å; L234-L238 PolarHBondContact O-N 3.23Å; L238-T241 PolarHBondContact O-N 2.96Å; L238-R242 WeakPolarHBondContact O-CB 3.36Å; L238-R242 PolarHBondContact O-N 3.35Å
239K98.3Very high97Very high64 Ų6468.3 Ų68.328%0.27835%0.345SS..Hα-helixtrans-62.6-44.6174-169.4-178.8-179-168.90111.4L188 T235 R236 A237 W243L188-K239 HydrophobicContact CD1-CG 4.41Å; L188-K239 HydrophobicContact CD2-CD 3.6Å; L188-K239 HydrophobicContact CD2-CG 3.81Å; T235-K239 WeakPolarHBondContact O-CB 3.39Å; T235-K239 PolarHBondContact O-N 3.06Å; R236-K239 PolarHBondContact O-N 3.02Å; A237-K239 VanDerWaalsContact C-N 3.33Å; A237-K239 PolarHBondContact O-N 3.07Å; K239-W243 VanDerWaalsContact O-CD1 3.32Å; K239-W243 PolarHBondContact O-N 3.39Å
240H96.7Very high96.9Very high15 Ų1566.5 Ų66.57%0.06934%0.344CS..Hα-helixtrans-60-50.1172.5167-82.9000111.2L188 T189 R192 R236 A237 R242 W243 N244L188-H240 HydrophobicContact CB-CB 4.24Å; T189-H240 PolarHBondContact OG1-CD2 3.46Å; T189-H240 PolarHBondContact OG1-NE2 3.43Å; R192-H240 PolarHBondContact NH1-CD2 2.98Å; R192-H240 PolarHBondContact NH1-CE1 3.46Å; R192-H240 PolarHBondContact NH1-ND1 2.92Å; R192-H240 PolarHBondContact NH1-NE2 3.15Å; R192-H240 VanDerWaalsContact NH1-NE2 3.11Å; R236-H240 WeakPolarHBondContact O-CB 3.46Å; R236-H240 PolarHBondContact O-N 2.94Å; A237-H240 WeakPolarHBondContact O-CB 3.47Å; A237-H240 PolarHBondContact O-N 3.31Å; H240-R242 VanDerWaalsContact C-N 3.34Å; H240-R242 PolarHBondContact O-N 3.47Å; H240-W243 PolarHBondContact O-N 3.43Å; H240-N244 WeakPolarHBondContact O-CB 3.26Å; H240-N244 PolarHBondContact O-N 3.49Å
241T97.1Very high96.7Very high78 Ų7863.7 Ų63.748%0.47933%0.328SS..Hα-helixtrans-58.2-42.9-179.5-63.70000112.1A237 L238 W243 N244 A245A237-T241 WeakPolarHBondContact O-CB 3.29Å; A237-T241 PolarHBondContact O-N 3.36Å; A237-T241 PolarHBondContact O-OG1 3.46Å; L238-T241 PolarHBondContact O-N 2.96Å; T241-W243 PolarHBondContact O-N 3.11Å; T241-N244 PolarHBondContact O-N 3.24Å; T241-A245 WeakPolarHBondContact O-CB 3.5Å; T241-A245 PolarHBondContact O-N 3.04Å
242R97.7Very high96.4Very high140 Ų14062.4 Ų62.453%0.52832%0.319SS..Hα-helixtrans-60.8-46.1177.1-175.4175.868.3-179.82.3112.1L238 H240 N244 A245 Y246L238-R242 WeakPolarHBondContact O-CB 3.36Å; L238-R242 PolarHBondContact O-N 3.35Å; H240-R242 VanDerWaalsContact C-N 3.34Å; H240-R242 PolarHBondContact O-N 3.47Å; R242-N244 VanDerWaalsContact C-N 3.34Å; R242-A245 PolarHBondContact O-N 2.93Å; R242-Y246 HydrophobicContact CG-CD2 3.99Å; R242-Y246 HydrophobicContact CG-CE2 3.48Å; R242-Y246 VanDerWaalsContact CG-CE2 3.48Å; R242-Y246 VanDerWaalsContact O-CD2 3.25Å; R242-Y246 WeakPolarHBondContact O-CD2 3.49Å; R242-Y246 PolarHBondContact O-N 3.46Å
243W95.7Very high96.2Very high66 Ų6663.7 Ų63.725%0.2533%0.329CS..Hα-helixtrans-68.3-35.2177.4-83.691.9000112.4F181 R184 L185 L188 K239 H240 T241 Y246 S247F181-W243 AromaticContact CD1-CE3 3.7Å; F181-W243 HydrophobicContact CD1-CE3 3.7Å; F181-W243 AromaticContact CD1-CZ3 3.92Å; F181-W243 HydrophobicContact CD1-CZ3 3.92Å; F181-W243 AromaticContact CE1-CE3 3.74Å; F181-W243 HydrophobicContact CE1-CE3 3.74Å; F181-W243 AromaticContact CE1-CZ3 3.78Å; F181-W243 HydrophobicContact CE1-CZ3 3.78Å; R184-W243 HydrophobicContact CB-CE3 4.35Å; R184-W243 HydrophobicContact CB-CZ3 4.44Å; R184-W243 HydrophobicContact CG-CD2 3.76Å; R184-W243 HydrophobicContact CG-CE3 3.87Å; R184-W243 HydrophobicContact CG-CG 4.34Å; R184-W243 HydrophobicContact CG-CH2 4.15Å; R184-W243 HydrophobicContact CG-CZ2 4.04Å; R184-W243 HydrophobicContact CG-CZ3 4.07Å; L185-W243 HydrophobicContact CD2-CB 3.89Å; L188-W243 HydrophobicContact CD1-CB 3.72Å; L188-W243 HydrophobicContact CD1-CD2 4.37Å; L188-W243 HydrophobicContact CD1-CG 3.5Å; K239-W243 VanDerWaalsContact O-CD1 3.32Å; K239-W243 PolarHBondContact O-N 3.39Å; H240-W243 PolarHBondContact O-N 3.43Å; T241-W243 PolarHBondContact O-N 3.11Å; W243-Y246 PolarHBondContact O-N 3.49Å; W243-S247 WeakPolarHBondContact O-CB 3.45Å; W243-S247 PolarHBondContact O-N 2.95Å
244N94.4Very high96Very high48 Ų4862.4 Ų62.426%0.25733%0.325SS..Hα-helixtrans-64.8-43.2173.7-171.744.1000111.3L185 H240 T241 R242 S247 F248 T302L185-N244 HydrophobicContact CD2-CB 4.19Å; H240-N244 WeakPolarHBondContact O-CB 3.26Å; H240-N244 PolarHBondContact O-N 3.49Å; T241-N244 PolarHBondContact O-N 3.24Å; R242-N244 VanDerWaalsContact C-N 3.34Å; N244-S247 PolarHBondContact O-N 3.42Å; N244-F248 WeakPolarHBondContact O-CB 3.49Å; N244-F248 PolarHBondContact O-N 3.09Å; N244-T302 VanDerWaalsContact OD1-CG2 3.3Å; N244-T302 WeakPolarHBondContact OD1-CG2 3.44Å; N244-T302 PolarHBondContact OD1-OG1 3.17Å; N244-T302 VanDerWaalsContact OD1-OG1 3.12Å
245A96Very high95.8Very high55 Ų5558.1 Ų58.146%0.45530%0.303SS..Hα-helixtrans-62.8-44.1176.100000112T241 R242 F248 A249T241-A245 WeakPolarHBondContact O-CB 3.5Å; T241-A245 PolarHBondContact O-N 3.04Å; R242-A245 PolarHBondContact O-N 2.93Å; A245-F248 PolarHBondContact O-N 3.01Å; A245-A249 VanDerWaalsContact O-CB 3.3Å; A245-A249 WeakPolarHBondContact O-CB 3.48Å; A245-A249 PolarHBondContact O-N 3.47Å
246Y95.7Very high95.5Very high134 Ų13457.7 Ų57.753%0.52530%0.297SS..Hα-helixtrans-62.1-42.7174.1-71.6-44.5000112.5R242 W243 A250R242-Y246 HydrophobicContact CG-CD2 3.99Å; R242-Y246 HydrophobicContact CG-CE2 3.48Å; R242-Y246 VanDerWaalsContact CG-CE2 3.48Å; R242-Y246 VanDerWaalsContact O-CD2 3.25Å; R242-Y246 WeakPolarHBondContact O-CD2 3.49Å; R242-Y246 PolarHBondContact O-N 3.46Å; W243-Y246 PolarHBondContact O-N 3.49Å; Y246-A250 WeakPolarHBondContact O-CB 3.32Å; Y246-A250 PolarHBondContact O-N 2.72Å
247S93.6Very high95.3Very high6 Ų657.2 Ų57.24%0.04230%0.301CS..Hα-helixtrans-60.8-45.7176.1-175.90000111.3W243 N244 I251W243-S247 WeakPolarHBondContact O-CB 3.45Å; W243-S247 PolarHBondContact O-N 2.95Å; N244-S247 PolarHBondContact O-N 3.42Å; S247-I251 WeakPolarHBondContact O-CB 3.3Å; S247-I251 WeakPolarHBondContact O-CD1 3.4Å; S247-I251 VanDerWaalsContact O-CG1 3.24Å; S247-I251 WeakPolarHBondContact O-CG1 3.21Å; S247-I251 PolarHBondContact O-N 3.12Å
248F93.7Very high95Very high104 Ų10456.4 Ų56.446%0.45629%0.294SS..Hα-helixtrans-65.7-46.1179.9-166.6-102.7000111.9N244 A245 N252 V298N244-F248 WeakPolarHBondContact O-CB 3.49Å; N244-F248 PolarHBondContact O-N 3.09Å; A245-F248 PolarHBondContact O-N 3.01Å; F248-N252 WeakPolarHBondContact CD1-ND2 3.38Å; F248-N252 WeakPolarHBondContact CE1-ND2 3.29Å; F248-N252 VanDerWaalsContact CZ-ND2 3.26Å; F248-N252 WeakPolarHBondContact CZ-ND2 3.22Å; F248-N252 WeakPolarHBondContact O-CB 3.33Å; F248-N252 PolarHBondContact O-N 3.04Å; F248-N252 PolarHBondContact O-ND2 3.38Å; F248-V298 HydrophobicContact CD2-CG1 4.05Å
249A95.3Very high94.7Very high52 Ų5252.7 Ų52.743%0.4328%0.276SS..Hα-helixtrans-61.3-50.3177.300000111.6A245 I251 N252 T253A245-A249 VanDerWaalsContact O-CB 3.3Å; A245-A249 WeakPolarHBondContact O-CB 3.48Å; A245-A249 PolarHBondContact O-N 3.47Å; A249-I251 PolarHBondContact O-N 3.25Å; A249-N252 PolarHBondContact O-N 3.06Å; A249-T253 WeakPolarHBondContact O-CB 3.43Å; A249-T253 PolarHBondContact O-N 3.49Å; A249-T253 PolarHBondContact O-OG1 3.26Å
250A95.1Very high94.4Very high32 Ų3255.4 Ų55.426%0.26429%0.293SS..Hα-helixtrans-59.6-45.9-179.400000111.7T177 F181 Y246 V254T177-A250 HydrophobicContact CG2-CB 3.72Å; F181-A250 HydrophobicContact CE2-CB 3.85Å; F181-A250 HydrophobicContact CZ-CB 4.33Å; Y246-A250 WeakPolarHBondContact O-CB 3.32Å; Y246-A250 PolarHBondContact O-N 2.72Å; A250-V254 WeakPolarHBondContact O-CB 3.33Å; A250-V254 VanDerWaalsContact O-CG2 3.22Å; A250-V254 WeakPolarHBondContact O-CG2 3.48Å; A250-V254 PolarHBondContact O-N 3.3Å
251I93.1Very high94.3Very high1 Ų157 Ų571%0.00530%0.301CS..Hα-helixtrans-72.6-41.2-176.7-60.9166000111.5Y174 T177 V178 S247 A249 T253 V254 T255 V298Y174-I251 HydrophobicContact CD2-CG2 3.62Å; Y174-I251 HydrophobicContact CE2-CG2 3.43Å; Y174-I251 VanDerWaalsContact CE2-CG2 3.43Å; T177-I251 HydrophobicContact CG2-CD1 4.32Å; T177-I251 HydrophobicContact CG2-CG1 3.43Å; T177-I251 VanDerWaalsContact CG2-CG1 3.43Å; V178-I251 HydrophobicContact CG2-CD1 3.85Å; S247-I251 WeakPolarHBondContact O-CB 3.3Å; S247-I251 WeakPolarHBondContact O-CD1 3.4Å; S247-I251 VanDerWaalsContact O-CG1 3.24Å; S247-I251 WeakPolarHBondContact O-CG1 3.21Å; S247-I251 PolarHBondContact O-N 3.12Å; A249-I251 PolarHBondContact O-N 3.25Å; I251-T253 PolarHBondContact O-N 3.28Å; I251-V254 PolarHBondContact O-N 3.16Å; I251-T255 HydrophobicContact CG2-CG2 4.18Å; I251-T255 WeakPolarHBondContact O-CG2 3.41Å; I251-T255 PolarHBondContact O-N 3.39Å; I251-T255 PolarHBondContact O-OG1 2.72Å; I251-T255 VanDerWaalsContact O-OG1 3.13Å; I251-V298 HydrophobicContact CB-CG1 4.45Å; I251-V298 HydrophobicContact CB-CG2 3.54Å; I251-V298 HydrophobicContact CD1-CB 4.17Å; I251-V298 HydrophobicContact CD1-CG1 3.7Å; I251-V298 HydrophobicContact CD1-CG2 3.59Å; I251-V298 HydrophobicContact CG1-CG2 4.12Å; I251-V298 HydrophobicContact CG2-CG2 3.13Å
252N93.2Very high94Very high34 Ų3453.3 Ų53.318%0.18228%0.278CS..Hα-helixtrans-59.3-48.2175.1-76.4-17.3000111F248 A249 V254 T255 D256F248-N252 WeakPolarHBondContact CD1-ND2 3.38Å; F248-N252 WeakPolarHBondContact CE1-ND2 3.29Å; F248-N252 VanDerWaalsContact CZ-ND2 3.26Å; F248-N252 WeakPolarHBondContact CZ-ND2 3.22Å; F248-N252 WeakPolarHBondContact O-CB 3.33Å; F248-N252 PolarHBondContact O-N 3.04Å; F248-N252 PolarHBondContact O-ND2 3.38Å; A249-N252 PolarHBondContact O-N 3.06Å; N252-V254 VanDerWaalsContact C-N 3.33Å; N252-V254 PolarHBondContact O-N 2.82Å; N252-T255 WeakPolarHBondContact CA-OG1 3.26Å; N252-T255 CarbonylContact O-C 3.54Å; N252-T255 PolarHBondContact O-N 3.26Å; N252-T255 VanDerWaalsContact O-N 3.1Å; N252-T255 PolarHBondContact O-OG1 3.05Å; N252-D256 WeakPolarHBondContact O-CB 3.23Å; N252-D256 PolarHBondContact O-N 3.36Å
253T94.4Very high93.7Very high82 Ų8250.7 Ų50.750%0.50327%0.274SS..Hα-helixtrans-56.5-46.1175.9-60.60000111.9A249 I251 T255 D256 I257A249-T253 WeakPolarHBondContact O-CB 3.43Å; A249-T253 PolarHBondContact O-N 3.49Å; A249-T253 PolarHBondContact O-OG1 3.26Å; I251-T253 PolarHBondContact O-N 3.28Å; T253-T255 VanDerWaalsContact C-N 3.34Å; T253-T255 PolarHBondContact O-N 3.36Å; T253-D256 PolarHBondContact O-N 2.9Å; T253-I257 HydrophobicContact CG2-CD1 4.14Å; T253-I257 VanDerWaalsContact O-CG1 3.28Å; T253-I257 WeakPolarHBondContact O-CG1 3.43Å; T253-I257 PolarHBondContact O-N 3.23Å; T253-I257 VanDerWaalsContact O-N 3.13Å
254V94Very high93.6Very high23 Ų2349.7 Ų49.714%0.13928%0.284CS..Hα-helixtrans-60-44.3176.7169.10000111.2I170 F173 A250 I251 N252I170-V254 HydrophobicContact CG2-CG1 3.67Å; I170-V254 VanDerWaalsContact CG2-O 3.24Å; I170-V254 WeakPolarHBondContact CG2-O 3.46Å; F173-V254 HydrophobicContact CB-CG1 4.04Å; A250-V254 WeakPolarHBondContact O-CB 3.33Å; A250-V254 VanDerWaalsContact O-CG2 3.22Å; A250-V254 WeakPolarHBondContact O-CG2 3.48Å; A250-V254 PolarHBondContact O-N 3.3Å; I251-V254 PolarHBondContact O-N 3.16Å; N252-V254 VanDerWaalsContact C-N 3.33Å; N252-V254 PolarHBondContact O-N 2.82Å
255T93.2Very high93.6Very high0 Ų050 Ų500%029%0.288CS..Hα-helixtrans-72.1-27.2178.657.80000113.8Y174 I251 N252 T253 G258 P259 L294 R295Y174-T255 HydrophobicContact CD2-CG2 3.97Å; Y174-T255 HydrophobicContact CE2-CG2 4.31Å; I251-T255 HydrophobicContact CG2-CG2 4.18Å; I251-T255 WeakPolarHBondContact O-CG2 3.41Å; I251-T255 PolarHBondContact O-N 3.39Å; I251-T255 PolarHBondContact O-OG1 2.72Å; I251-T255 VanDerWaalsContact O-OG1 3.13Å; N252-T255 WeakPolarHBondContact CA-OG1 3.26Å; N252-T255 CarbonylContact O-C 3.54Å; N252-T255 PolarHBondContact O-N 3.26Å; N252-T255 VanDerWaalsContact O-N 3.1Å; N252-T255 PolarHBondContact O-OG1 3.05Å; T253-T255 VanDerWaalsContact C-N 3.34Å; T253-T255 PolarHBondContact O-N 3.36Å; T255-G258 PolarHBondContact O-N 3.09Å; T255-P259 WeakPolarHBondContact O-CD 3.41Å; T255-L294 HydrophobicContact CG2-CB 4.09Å; T255-R295 HydrophobicContact CG2-CG 4.13Å; T255-R295 VanDerWaalsContact OG1-CG 3.25Å; T255-R295 WeakPolarHBondContact OG1-CG 3.38Å; T255-R295 PolarHBondContact OG1-NE 3.02Å
256D92.9Very high93.4Very high70 Ų7047.3 Ų47.337%0.37427%0.266SS..Hα-helixtrans-78.3-28.1-179.4-68-14.8000112N252 T253 G258 P259 R295N252-D256 WeakPolarHBondContact O-CB 3.23Å; N252-D256 PolarHBondContact O-N 3.36Å; T253-D256 PolarHBondContact O-N 2.9Å; D256-G258 VanDerWaalsContact C-N 3.26Å; D256-G258 PolarHBondContact O-N 3.38Å; D256-P259 WeakPolarHBondContact O-CD 3.47Å; D256-R295 IonicContact OD1-CZ 2.72Å; D256-R295 VanDerWaalsContact OD1-CZ 3.25Å; D256-R295 IonicContact OD1-NE 2.78Å; D256-R295 PolarHBondContact OD1-NE 3.37Å; D256-R295 VanDerWaalsContact OD1-NE 3.17Å; D256-R295 IonicContact OD1-NH2 3.85Å; D256-R295 PolarHBondContact OD1-NH2 3.32Å
257I94Very high93.2Very high76 Ų7642.8 Ų42.839%0.3926%0.256SS..Hα-helixtrans-66.3-31.7172.1-67165000110.9I170 T253 I260 I261I170-I257 HydrophobicContact CD1-CB 4.32Å; I170-I257 HydrophobicContact CD1-CG2 3.94Å; T253-I257 HydrophobicContact CG2-CD1 4.14Å; T253-I257 VanDerWaalsContact O-CG1 3.28Å; T253-I257 WeakPolarHBondContact O-CG1 3.43Å; T253-I257 PolarHBondContact O-N 3.23Å; T253-I257 VanDerWaalsContact O-N 3.13Å; I257-I260 WeakPolarHBondContact O-CB 3.44Å; I257-I260 PolarHBondContact O-N 3.46Å; I257-I261 HydrophobicContact CG2-CD1 3.7Å; I257-I261 HydrophobicContact CG2-CG1 4.04Å; I257-I261 WeakPolarHBondContact O-CG1 3.32Å; I257-I261 PolarHBondContact O-N 3.19Å
258G91.6Very high93.2Very high0 Ų050.3 Ų50.30%029%0.285CS..Hα-helixtrans-55.1-55.9-178.400000114T255 D256 I260 I261 V262 F291T255-G258 PolarHBondContact O-N 3.09Å; D256-G258 VanDerWaalsContact C-N 3.26Å; D256-G258 PolarHBondContact O-N 3.38Å; G258-I260 VanDerWaalsContact C-N 3.28Å; G258-I260 PolarHBondContact O-N 2.95Å; G258-I261 PolarHBondContact O-N 2.85Å; G258-V262 WeakPolarHBondContact O-CG2 3.4Å; G258-V262 PolarHBondContact O-N 2.78Å; G258-F291 VanDerWaalsContact CA-CZ 3.48Å
259P92.3Very high93.1Very high26 Ų2646.1 Ų46.117%0.16927%0.267CS..Hα-helixtrans-57.4-37.4175-28.234.6000114.2T255 D256 V262 I263 L287 F291T255-P259 WeakPolarHBondContact O-CD 3.41Å; D256-P259 WeakPolarHBondContact O-CD 3.47Å; P259-V262 PolarHBondContact O-N 3.14Å; P259-I263 WeakPolarHBondContact O-CB 3.35Å; P259-I263 WeakPolarHBondContact O-CD1 3.45Å; P259-I263 WeakPolarHBondContact O-CG1 3.41Å; P259-I263 PolarHBondContact O-N 2.98Å; P259-L287 HydrophobicContact CB-CD1 4Å; P259-F291 HydrophobicContact CG-CD2 3.69Å; P259-F291 HydrophobicContact CG-CE2 3.99Å; P259-F291 HydrophobicContact CG-CG 4.34Å
260I93.5Very high92.8Very high122 Ų12245 Ų4563%0.62626%0.257SS*.Hα-helixtrans-62.6-45.3178.3-60.5172.2000110.6I257 G258 I263 G264I257-I260 WeakPolarHBondContact O-CB 3.44Å; I257-I260 PolarHBondContact O-N 3.46Å; G258-I260 VanDerWaalsContact C-N 3.28Å; G258-I260 PolarHBondContact O-N 2.95Å; I260-I263 PolarHBondContact O-N 3.33Å; I260-G264 PolarHBondContact O-N 3.48Å
261I92.7Very high92.6Very high47 Ų4750.5 Ų50.524%0.24128%0.281CS..Hα-helixtrans-60.9-47.3176.3-67.3173.9000110.4A166 F169 I170 I257 G258 I263 G264 V265A166-I261 HydrophobicContact CB-CG2 4.41Å; F169-I261 HydrophobicContact CD1-CD1 3.89Å; F169-I261 HydrophobicContact CE1-CD1 4.35Å; I170-I261 HydrophobicContact CD1-CD1 3.84Å; I170-I261 HydrophobicContact CG1-CD1 4.15Å; I257-I261 HydrophobicContact CG2-CD1 3.7Å; I257-I261 HydrophobicContact CG2-CG1 4.04Å; I257-I261 WeakPolarHBondContact O-CG1 3.32Å; I257-I261 PolarHBondContact O-N 3.19Å; G258-I261 PolarHBondContact O-N 2.85Å; I261-I263 PolarHBondContact O-N 2.98Å; I261-G264 PolarHBondContact O-N 3.31Å; I261-V265 HydrophobicContact CG2-CG2 4.32Å; I261-V265 WeakPolarHBondContact O-CB 3.43Å; I261-V265 WeakPolarHBondContact O-CG2 3.25Å; I261-V265 PolarHBondContact O-N 2.73Å
262V91.6Very high92.5Very high1 Ų153.4 Ų53.41%0.00630%0.302CS..Hα-helixtrans-66-40.1-178.1176.90000111.5L163 A167 G258 P259 G266 F283 L287L163-V262 HydrophobicContact CD1-CG1 3.8Å; L163-V262 WeakPolarHBondContact CD1-O 3.43Å; L163-V262 HydrophobicContact CG-CG1 4.03Å; A167-V262 VanDerWaalsContact CA-CG2 3.47Å; A167-V262 HydrophobicContact CB-CG2 3.53Å; G258-V262 WeakPolarHBondContact O-CG2 3.4Å; G258-V262 PolarHBondContact O-N 2.78Å; P259-V262 PolarHBondContact O-N 3.14Å; V262-G266 WeakPolarHBondContact O-CA 3.4Å; V262-G266 PolarHBondContact O-N 2.91Å; V262-F283 HydrophobicContact CG1-CD1 4.48Å; V262-L287 HydrophobicContact CB-CD1 4.05Å; V262-L287 HydrophobicContact CB-CD2 4.01Å; V262-L287 HydrophobicContact CG1-CD1 3.98Å; V262-L287 HydrophobicContact CG1-CD2 3.83Å; V262-L287 HydrophobicContact CG1-CG 4.34Å; V262-L287 HydrophobicContact CG2-CD2 3.98Å
263I92.1Very high92.1Very high85 Ų8555 Ų5544%0.43633%0.325SS..Hα-helixtrans-63.9-44.8175.4-69.6166000110.4P259 I260 I261 G266 A267 V284P259-I263 WeakPolarHBondContact O-CB 3.35Å; P259-I263 WeakPolarHBondContact O-CD1 3.45Å; P259-I263 WeakPolarHBondContact O-CG1 3.41Å; P259-I263 PolarHBondContact O-N 2.98Å; I260-I263 PolarHBondContact O-N 3.33Å; I261-I263 PolarHBondContact O-N 2.98Å; I263-G266 PolarHBondContact O-N 2.61Å; I263-A267 VanDerWaalsContact O-CB 3.26Å; I263-A267 WeakPolarHBondContact O-CB 3.27Å; I263-A267 PolarHBondContact O-N 2.99Å; I263-V284 HydrophobicContact CG1-CG2 4.47Å
264G93.3Very high91.7Very high46 Ų4654.3 Ų54.347%0.47432%0.324SS..Hα-helixtrans-63.4-49.6179.100000113.2I260 I261 Y268I260-G264 PolarHBondContact O-N 3.48Å; I261-G264 PolarHBondContact O-N 3.31Å; G264-Y268 PolarHBondContact O-N 2.63Å; G264-Y268 VanDerWaalsContact O-N 3.14Å
265V93.4Very high91.4Very high53 Ų5354 Ų5432%0.32132%0.322SS..Hα-helixtrans-66.9-40.1177.4175.60000111L163 A166 I261 Y268 L269L163-V265 HydrophobicContact CD1-CB 4.29Å; L163-V265 HydrophobicContact CD1-CG1 4.15Å; A166-V265 HydrophobicContact CB-CB 4.16Å; A166-V265 HydrophobicContact CB-CG1 4.04Å; A166-V265 HydrophobicContact CB-CG2 4.13Å; I261-V265 HydrophobicContact CG2-CG2 4.32Å; I261-V265 WeakPolarHBondContact O-CB 3.43Å; I261-V265 WeakPolarHBondContact O-CG2 3.25Å; I261-V265 PolarHBondContact O-N 2.73Å; V265-Y268 PolarHBondContact O-N 3.44Å; V265-L269 HydrophobicContact CG1-CD1 4.01Å; V265-L269 HydrophobicContact CG1-CG 4.35Å; V265-L269 WeakPolarHBondContact O-CG 3.29Å; V265-L269 PolarHBondContact O-N 3.43Å
266G92.8Very high91.1Very high0 Ų057.6 Ų57.60%034%0.344CS..Hα-helixtrans-64.1-42.6177.900000112.6V262 I263 Y268 L269 A270 I275V262-G266 WeakPolarHBondContact O-CA 3.4Å; V262-G266 PolarHBondContact O-N 2.91Å; I263-G266 PolarHBondContact O-N 2.61Å; G266-Y268 PolarHBondContact O-N 2.79Å; G266-L269 PolarHBondContact O-N 3.06Å; G266-A270 WeakPolarHBondContact O-CB 3.46Å; G266-A270 PolarHBondContact O-N 2.99Å; G266-I275 WeakPolarHBondContact O-CD1 3.43Å
267A91.9Very high90.7Very high38 Ų3859.9 Ų59.931%0.31436%0.36SS..Hα-helixtrans-61.5-43.5173.700000111.5I263 A270 I271I263-A267 VanDerWaalsContact O-CB 3.26Å; I263-A267 WeakPolarHBondContact O-CB 3.27Å; I263-A267 PolarHBondContact O-N 2.99Å; A267-A270 PolarHBondContact O-N 3.36Å; A267-I271 WeakPolarHBondContact O-CD1 3.22Å; A267-I271 VanDerWaalsContact O-CG1 3.25Å; A267-I271 WeakPolarHBondContact O-CG1 3.44Å; A267-I271 PolarHBondContact O-N 2.88Å
268Y93.3Very high90.2Very high165 Ų16556.5 Ų56.565%0.64734%0.343SS*.Hα-helixtrans-60.8-46175.5177.7-98.7000112.4G264 V265 G266 A270 I271 S272G264-Y268 PolarHBondContact O-N 2.63Å; G264-Y268 VanDerWaalsContact O-N 3.14Å; V265-Y268 PolarHBondContact O-N 3.44Å; G266-Y268 PolarHBondContact O-N 2.79Å; Y268-A270 VanDerWaalsContact C-N 3.3Å; Y268-A270 PolarHBondContact O-N 3.28Å; Y268-I271 PolarHBondContact O-N 3.07Å; Y268-S272 PolarHBondContact O-N 3.32Å; Y268-S272 PolarHBondContact O-OG 3.18Å
269L91.2Very high89.9Confident15 Ų1557.5 Ų57.58%0.07935%0.35CS..Hα-helixtrans-66.4-30.6177.6-70.4174.9000113K162 L163 V265 G266 S272 G273 S274 I275K162-L269 HydrophobicContact CB-CD1 4.24Å; L163-L269 HydrophobicContact CB-CD1 4.32Å; L163-L269 HydrophobicContact CD1-CD1 4.48Å; V265-L269 HydrophobicContact CG1-CD1 4.01Å; V265-L269 HydrophobicContact CG1-CG 4.35Å; V265-L269 WeakPolarHBondContact O-CG 3.29Å; V265-L269 PolarHBondContact O-N 3.43Å; G266-L269 PolarHBondContact O-N 3.06Å; L269-S272 WeakPolarHBondContact CA-OG 3.16Å; L269-S272 PolarHBondContact O-OG 3.06Å; L269-S272 VanDerWaalsContact O-OG 3.07Å; L269-G273 PolarHBondContact O-N 2.9Å; L269-S274 WeakPolarHBondContact O-CB 3.42Å; L269-S274 PolarHBondContact O-N 3.26Å; L269-I275 HydrophobicContact CB-CD1 3.96Å; L269-I275 HydrophobicContact CB-CG1 3.93Å; L269-I275 HydrophobicContact CB-CG2 4.42Å; L269-I275 PolarHBondContact O-N 3.12Å
270A88.9Confident89.7Confident28 Ų2857.9 Ų57.923%0.23135%0.35CS..Hα-helixtrans-71.7-41.7174.500000111.2G266 A267 Y268 S272 G273 I275G266-A270 WeakPolarHBondContact O-CB 3.46Å; G266-A270 PolarHBondContact O-N 2.99Å; A267-A270 PolarHBondContact O-N 3.36Å; Y268-A270 VanDerWaalsContact C-N 3.3Å; Y268-A270 PolarHBondContact O-N 3.28Å; A270-S272 VanDerWaalsContact C-N 3.33Å; A270-S272 PolarHBondContact O-N 2.97Å; A270-G273 PolarHBondContact O-N 3.06Å; A270-G273 VanDerWaalsContact O-N 3.1Å; A270-I275 HydrophobicContact CB-CD1 4.49Å; A270-I275 HydrophobicContact CB-CG1 4.01Å
271I91.7Very high89.3Confident148 Ų14853.9 Ų53.976%0.75934%0.335SS*.Hα-helixtrans-63.8-39.1175.5-67.5163.6000111A267 Y268 G273A267-I271 WeakPolarHBondContact O-CD1 3.22Å; A267-I271 VanDerWaalsContact O-CG1 3.25Å; A267-I271 WeakPolarHBondContact O-CG1 3.44Å; A267-I271 PolarHBondContact O-N 2.88Å; Y268-I271 PolarHBondContact O-N 3.07Å; I271-G273 PolarHBondContact O-N 3.33Å
272S90.7Very high89Confident63 Ų6351.8 Ų51.844%0.44133%0.325SS..THydrogen-bonded Turntrans-742176.168.30000113.9Y268 L269 A270 S274Y268-S272 PolarHBondContact O-N 3.32Å; Y268-S272 PolarHBondContact O-OG 3.18Å; L269-S272 WeakPolarHBondContact CA-OG 3.16Å; L269-S272 PolarHBondContact O-OG 3.06Å; L269-S272 VanDerWaalsContact O-OG 3.07Å; A270-S272 VanDerWaalsContact C-N 3.33Å; A270-S272 PolarHBondContact O-N 2.97Å; S272-S274 PolarHBondContact O-N 3.46Å; S272-S274 PolarHBondContact OG-OG 3.27Å
273G85Confident88.8Confident66 Ų6651.7 Ų51.768%0.6832%0.324SS*.THydrogen-bonded Turntrans69.215.9-178.900000114.3L269 A270 I271L269-G273 PolarHBondContact O-N 2.9Å; A270-G273 PolarHBondContact O-N 3.06Å; A270-G273 VanDerWaalsContact O-N 3.1Å; I271-G273 PolarHBondContact O-N 3.33Å
274S85.7Confident88.6Confident69 Ų6951.1 Ų51.148%0.48333%0.325SS..SBendtrans-82.4-27.5-178.5-56.70000113L269 S272L269-S274 WeakPolarHBondContact O-CB 3.42Å; L269-S274 PolarHBondContact O-N 3.26Å; S272-S274 PolarHBondContact O-N 3.46Å; S272-S274 PolarHBondContact OG-OG 3.27Å
275I87.2Confident88.4Confident16 Ų1650.1 Ų50.18%0.08231%0.314CS..SBendtrans-132.6154.2175.766.2174.2000110.8D160 L163 G266 L269 A270 T279 L280D160-I275 HydrophobicContact CB-CG2 4.31Å; L163-I275 HydrophobicContact CD2-CD1 4.04Å; G266-I275 WeakPolarHBondContact O-CD1 3.43Å; L269-I275 HydrophobicContact CB-CD1 3.96Å; L269-I275 HydrophobicContact CB-CG1 3.93Å; L269-I275 HydrophobicContact CB-CG2 4.42Å; L269-I275 PolarHBondContact O-N 3.12Å; A270-I275 HydrophobicContact CB-CD1 4.49Å; A270-I275 HydrophobicContact CB-CG1 4.01Å; I275-T279 HydrophobicContact CB-CG2 4.37Å; I275-L280 HydrophobicContact CD1-CB 4.32Å
276T87.2Confident88.2Confident76 Ų7647.6 Ų47.647%0.46630%0.299SS..  trans-82.8157174.468.70000111.5G278 T279 L280T276-G278 PolarHBondContact O-N 3.42Å; T276-T279 WeakPolarHBondContact O-CB 3.45Å; T276-T279 PolarHBondContact O-N 2.93Å; T276-T279 PolarHBondContact OG1-N 3.21Å; T276-T279 VanDerWaalsContact OG1-N 3.1Å; T276-T279 PolarHBondContact OG1-OG1 3.02Å; T276-L280 PolarHBondContact O-N 3.42Å
277V85Confident88.1Confident118 Ų11848 Ų4872%0.71530%0.301SS*.Hα-helixtrans-57.7-36.2172-178.40000111.2T279 L280 A281V277-T279 VanDerWaalsContact C-N 3.35Å; V277-T279 PolarHBondContact O-N 3.39Å; V277-L280 PolarHBondContact O-N 3.22Å; V277-A281 WeakPolarHBondContact O-CB 3.4Å; V277-A281 PolarHBondContact O-N 3.34Å
278G82.9Confident88Confident4 Ų451.6 Ų51.64%0.04131%0.311CS..Hα-helixtrans-62.8-37.8174.300000113.2T276 A281 A282T276-G278 PolarHBondContact O-N 3.42Å; G278-A281 PolarHBondContact O-N 2.99Å; G278-A282 WeakPolarHBondContact O-CB 3.49Å; G278-A282 PolarHBondContact O-N 3.2Å
279T85.6Confident87.8Confident21 Ų2145.1 Ų45.113%0.12929%0.287CS..Hα-helixtrans-67.6-43.8174.9-58.90000110.6L159 I275 T276 V277 A281 A282 F283L159-T279 HydrophobicContact CB-CG2 4.44Å; I275-T279 HydrophobicContact CB-CG2 4.37Å; T276-T279 WeakPolarHBondContact O-CB 3.45Å; T276-T279 PolarHBondContact O-N 2.93Å; T276-T279 PolarHBondContact OG1-N 3.21Å; T276-T279 VanDerWaalsContact OG1-N 3.1Å; T276-T279 PolarHBondContact OG1-OG1 3.02Å; V277-T279 VanDerWaalsContact C-N 3.35Å; V277-T279 PolarHBondContact O-N 3.39Å; T279-A281 PolarHBondContact O-N 2.78Å; T279-A282 PolarHBondContact O-N 3.42Å; T279-F283 HydrophobicContact CG2-CD2 3.99Å; T279-F283 HydrophobicContact CG2-CE2 4.04Å; T279-F283 WeakPolarHBondContact O-CD2 3.35Å; T279-F283 PolarHBondContact O-N 2.58Å
280L87.4Confident87.9Confident35 Ų3544.4 Ų44.418%0.18328%0.284CS..Hα-helixtrans-59.2-44.8174.1-177.660.6000111.8I275 T276 V277 A282 F283 V284I275-L280 HydrophobicContact CD1-CB 4.32Å; T276-L280 PolarHBondContact O-N 3.42Å; V277-L280 PolarHBondContact O-N 3.22Å; L280-A282 PolarHBondContact O-N 3.43Å; L280-F283 WeakPolarHBondContact O-CB 3.34Å; L280-F283 PolarHBondContact O-N 2.86Å; L280-V284 WeakPolarHBondContact O-CG2 3.38Å; L280-V284 PolarHBondContact O-N 2.82Å
281A86.6Confident88.1Confident37 Ų3743.1 Ų43.131%0.30627%0.273SS..Hα-helixtrans-62.2-42.6177.200000112.4I41 V277 G278 T279 F283 V284 G285I41-A281 HydrophobicContact CD1-CB 4.42Å; V277-A281 WeakPolarHBondContact O-CB 3.4Å; V277-A281 PolarHBondContact O-N 3.34Å; G278-A281 PolarHBondContact O-N 2.99Å; T279-A281 PolarHBondContact O-N 2.78Å; A281-F283 VanDerWaalsContact C-N 3.34Å; A281-F283 PolarHBondContact O-N 3.06Å; A281-V284 PolarHBondContact O-N 3.28Å; A281-G285 PolarHBondContact O-N 3.2Å; A281-G285 VanDerWaalsContact O-N 3.13Å
282A85.3Confident88Confident3 Ų336.2 Ų36.23%0.02524%0.239CC..Hα-helixtrans-61.2-43.6174.400000111.4K38 L159 G278 T279 L280 G285 Y286K38-A282 HydrophobicContact CB-CB 4.47Å; L159-A282 HydrophobicContact CD1-CB 4.16Å; G278-A282 WeakPolarHBondContact O-CB 3.49Å; G278-A282 PolarHBondContact O-N 3.2Å; T279-A282 PolarHBondContact O-N 3.42Å; L280-A282 PolarHBondContact O-N 3.43Å; A282-G285 PolarHBondContact O-N 3.31Å; A282-Y286 WeakPolarHBondContact O-CD2 3.37Å; A282-Y286 PolarHBondContact O-N 3.38Å
283F87.8Confident88.1Confident0 Ų033.3 Ų33.30%022%0.218CC..Hα-helixtrans-58.7-48.3175.4-98.2-98.2000111.8M156 L159 D160 L163 V262 T279 L280 A281 G285 Y286 L287M156-F283 HydrophobicContact CB-CE1 3.93Å; M156-F283 HydrophobicContact CB-CZ 4.14Å; M156-F283 HydrophobicContact CE-CD1 3.63Å; M156-F283 HydrophobicContact CE-CE1 3.61Å; M156-F283 HydrophobicContact CG-CD1 4.4Å; M156-F283 HydrophobicContact CG-CE1 4.11Å; M156-F283 WeakPolarHBondContact O-CZ 3.45Å; L159-F283 HydrophobicContact CB-CD2 4.22Å; L159-F283 HydrophobicContact CB-CE2 3.43Å; L159-F283 VanDerWaalsContact CB-CE2 3.43Å; L159-F283 HydrophobicContact CB-CZ 4.13Å; L159-F283 HydrophobicContact CD1-CD2 4.19Å; L159-F283 HydrophobicContact CD1-CE2 4.15Å; L159-F283 HydrophobicContact CG-CE2 4.45Å; D160-F283 HydrophobicContact CB-CE2 3.93Å; D160-F283 HydrophobicContact CB-CZ 3.97Å; L163-F283 HydrophobicContact CB-CD1 4.3Å; L163-F283 HydrophobicContact CB-CE1 3.79Å; L163-F283 HydrophobicContact CB-CE2 4.5Å; L163-F283 HydrophobicContact CB-CZ 3.9Å; L163-F283 HydrophobicContact CD2-CB 3.95Å; L163-F283 HydrophobicContact CD2-CD1 3.46Å; L163-F283 VanDerWaalsContact CD2-CD1 3.46Å; L163-F283 HydrophobicContact CD2-CD2 3.68Å; L163-F283 HydrophobicContact CD2-CE1 3.77Å; L163-F283 HydrophobicContact CD2-CE2 3.93Å; L163-F283 HydrophobicContact CD2-CG 3.41Å; L163-F283 VanDerWaalsContact CD2-CG 3.41Å; L163-F283 HydrophobicContact CD2-CZ 3.99Å; L163-F283 HydrophobicContact CG-CD1 3.64Å; L163-F283 HydrophobicContact CG-CE1 3.64Å; L163-F283 HydrophobicContact CG-CG 4.14Å; L163-F283 HydrophobicContact CG-CZ 4.13Å; V262-F283 HydrophobicContact CG1-CD1 4.48Å; T279-F283 HydrophobicContact CG2-CD2 3.99Å; T279-F283 HydrophobicContact CG2-CE2 4.04Å; T279-F283 WeakPolarHBondContact O-CD2 3.35Å; T279-F283 PolarHBondContact O-N 2.58Å; L280-F283 WeakPolarHBondContact O-CB 3.34Å; L280-F283 PolarHBondContact O-N 2.86Å; A281-F283 VanDerWaalsContact C-N 3.34Å; A281-F283 PolarHBondContact O-N 3.06Å; F283-G285 PolarHBondContact O-N 2.98Å; F283-Y286 CarbonylContact O-C 3.59Å; F283-Y286 WeakPolarHBondContact O-CA 3.47Å; F283-Y286 PolarHBondContact O-N 3Å; F283-L287 WeakPolarHBondContact O-CG 3.43Å; F283-L287 PolarHBondContact O-N 3.14Å
284V88Confident88.4Confident73 Ų7330.4 Ų30.444%0.44219%0.187SC..Hα-helixtrans-55.2-40.7176.41730000111.4I263 L280 A281 L287I263-V284 HydrophobicContact CG1-CG2 4.47Å; L280-V284 WeakPolarHBondContact O-CG2 3.38Å; L280-V284 PolarHBondContact O-N 2.82Å; A281-V284 PolarHBondContact O-N 3.28Å; V284-L287 WeakPolarHBondContact O-CB 3.03Å; V284-L287 PolarHBondContact O-N 3.48Å
285G87.9Confident88.7Confident24 Ų2430.2 Ų30.225%0.24718%0.176CC..Hα-helixtrans-62.7-40.5172.900000113.5A281 A282 F283 L287A281-G285 PolarHBondContact O-N 3.2Å; A281-G285 VanDerWaalsContact O-N 3.13Å; A282-G285 PolarHBondContact O-N 3.31Å; F283-G285 PolarHBondContact O-N 2.98Å; G285-L287 VanDerWaalsContact C-N 3.34Å
286Y90.6Very high88.8Confident1 Ų134.5 Ų34.50%0.00419%0.191CC..Hα-helixtrans-73.4-21.3176.2-75.6-62.8000114.1P34 L35 I155 M156 L159 A282 F283 E288 L289 L290P34-Y286 HydrophobicContact CB-CD2 4.3Å; P34-Y286 HydrophobicContact CB-CE1 4.23Å; P34-Y286 HydrophobicContact CB-CE2 3.93Å; P34-Y286 HydrophobicContact CG-CD1 4.41Å; P34-Y286 HydrophobicContact CG-CE1 4.22Å; L35-Y286 VanDerWaalsContact CD2-OH 3.31Å; L35-Y286 WeakPolarHBondContact CD2-OH 3.49Å; L35-Y286 VanDerWaalsContact CG-OH 3.24Å; L35-Y286 WeakPolarHBondContact CG-OH 3.21Å; I155-Y286 HydrophobicContact CB-CE1 4.33Å; I155-Y286 HydrophobicContact CD1-CE1 3.82Å; I155-Y286 HydrophobicContact CG2-CD2 4.33Å; I155-Y286 HydrophobicContact CG2-CE1 4.07Å; I155-Y286 HydrophobicContact CG2-CE2 3.58Å; I155-Y286 VanDerWaalsContact CG2-CZ 3.43Å; I155-Y286 WeakPolarHBondContact CG2-OH 3.3Å; M156-Y286 HydrophobicContact CG-CG 4.3Å; L159-Y286 HydrophobicContact CD1-CD2 4.05Å; L159-Y286 HydrophobicContact CD1-CE2 3.92Å; A282-Y286 WeakPolarHBondContact O-CD2 3.37Å; A282-Y286 PolarHBondContact O-N 3.38Å; F283-Y286 CarbonylContact O-C 3.59Å; F283-Y286 WeakPolarHBondContact O-CA 3.47Å; F283-Y286 PolarHBondContact O-N 3Å; Y286-E288 VanDerWaalsContact C-N 3.26Å; Y286-E288 PolarHBondContact O-N 3.44Å; Y286-L289 HydrophobicContact CD1-CB 4.49Å; Y286-L289 HydrophobicContact CD1-CD2 4.07Å; Y286-L289 HydrophobicContact CE1-CD2 4.22Å; Y286-L289 CarbonylContact O-C 3.59Å; Y286-L289 WeakPolarHBondContact O-CA 3.42Å; Y286-L289 WeakPolarHBondContact O-CB 3.47Å; Y286-L289 PolarHBondContact O-N 3.16Å; Y286-L289 VanDerWaalsContact O-N 3.07Å; Y286-L290 WeakPolarHBondContact O-CB 3.25Å; Y286-L290 PolarHBondContact O-N 3.14Å
287L90.9Very high89Confident8 Ų831.3 Ų31.34%0.04217%0.171CC..Hα-helixtrans-59.4-39.5175.5-67.2-178.5000111.8M156 P259 V262 F283 V284 G285 L289 L290 F291M156-L287 HydrophobicContact CE-CD2 4.23Å; P259-L287 HydrophobicContact CB-CD1 4Å; V262-L287 HydrophobicContact CB-CD1 4.05Å; V262-L287 HydrophobicContact CB-CD2 4.01Å; V262-L287 HydrophobicContact CG1-CD1 3.98Å; V262-L287 HydrophobicContact CG1-CD2 3.83Å; V262-L287 HydrophobicContact CG1-CG 4.34Å; V262-L287 HydrophobicContact CG2-CD2 3.98Å; F283-L287 WeakPolarHBondContact O-CG 3.43Å; F283-L287 PolarHBondContact O-N 3.14Å; V284-L287 WeakPolarHBondContact O-CB 3.03Å; V284-L287 PolarHBondContact O-N 3.48Å; G285-L287 VanDerWaalsContact C-N 3.34Å; L287-L289 VanDerWaalsContact C-N 3.31Å; L287-L289 PolarHBondContact O-N 3.11Å; L287-L290 PolarHBondContact O-N 3.37Å; L287-F291 HydrophobicContact CB-CD2 4.22Å; L287-F291 HydrophobicContact CD2-CD2 4.18Å; L287-F291 HydrophobicContact CD2-CE2 3.78Å; L287-F291 WeakPolarHBondContact O-CB 3.08Å; L287-F291 WeakPolarHBondContact O-CD2 3.33Å; L287-F291 PolarHBondContact O-N 2.87Å
288E89.2Confident89.1Confident113 Ų11325.7 Ų25.753%0.52814%0.137SC..Hα-helixtrans-68.3-34.2176.5-172.555.9-152.400111.6Y286 L290 G292 R295Y286-E288 VanDerWaalsContact C-N 3.26Å; Y286-E288 PolarHBondContact O-N 3.44Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 PolarHBondContact O-N 3.48Å; E288-G292 VanDerWaalsContact O-CA 3.24Å; E288-G292 WeakPolarHBondContact O-CA 3.36Å; E288-G292 PolarHBondContact O-N 3.43Å; E288-R295 IonicContact OE2-NH1 2.71Å
289L89.4Confident89.3Confident29 Ų2928 Ų2815%0.15216%0.155CC..Hα-helixtrans-72.9-20.6174.4-87.867.2000113.3M31 A152 Y286 L287 P293M31-L289 HydrophobicContact CB-CD2 3.98Å; M31-L289 HydrophobicContact CG-CD2 3.64Å; A152-L289 HydrophobicContact CB-CB 4.26Å; Y286-L289 HydrophobicContact CD1-CB 4.49Å; Y286-L289 HydrophobicContact CD1-CD2 4.07Å; Y286-L289 HydrophobicContact CE1-CD2 4.22Å; Y286-L289 CarbonylContact O-C 3.59Å; Y286-L289 WeakPolarHBondContact O-CA 3.42Å; Y286-L289 WeakPolarHBondContact O-CB 3.47Å; Y286-L289 PolarHBondContact O-N 3.16Å; Y286-L289 VanDerWaalsContact O-N 3.07Å; L287-L289 VanDerWaalsContact C-N 3.31Å; L287-L289 PolarHBondContact O-N 3.11Å; L289-P293 WeakPolarHBondContact O-CD 3.33Å; L289-P293 WeakPolarHBondContact O-CG 3.45Å
290L92.6Very high89.6Confident0 Ų027.6 Ų27.60%015%0.153CC..Hα-helixtrans-90-56.8176.5-173.967000111.3I149 L153 M156 A167 F171 Y286 L287 E288 L294I149-L290 HydrophobicContact CG2-CD1 4Å; L153-L290 HydrophobicContact CD1-CD1 4.42Å; L153-L290 HydrophobicContact CD2-CD1 3.7Å; L153-L290 HydrophobicContact CD2-CD2 4.32Å; L153-L290 HydrophobicContact CG-CD1 3.73Å; M156-L290 HydrophobicContact CE-CD2 4.08Å; M156-L290 HydrophobicContact SD-CB 4.48Å; M156-L290 HydrophobicContact SD-CD2 4.02Å; A167-L290 HydrophobicContact CB-CD2 4.01Å; F171-L290 HydrophobicContact CE2-CD1 4.26Å; F171-L290 HydrophobicContact CE2-CD2 4.28Å; F171-L290 HydrophobicContact CE2-CG 4.31Å; F171-L290 HydrophobicContact CZ-CD1 3.82Å; F171-L290 HydrophobicContact CZ-CG 4.32Å; Y286-L290 WeakPolarHBondContact O-CB 3.25Å; Y286-L290 PolarHBondContact O-N 3.14Å; L287-L290 PolarHBondContact O-N 3.37Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 PolarHBondContact O-N 3.48Å; L290-L294 WeakPolarHBondContact O-CG 3.25Å
291F92.6Very high89.7Confident1 Ų128.3 Ų28.30%0.00416%0.155CC..Hα-helixtrans-82-28.1-174-67.4-67.6000113.2I170 G258 P259 L287 L294 R295I170-F291 HydrophobicContact CB-CE1 4.42Å; I170-F291 HydrophobicContact CG2-CE1 4.18Å; G258-F291 VanDerWaalsContact CA-CZ 3.48Å; P259-F291 HydrophobicContact CG-CD2 3.69Å; P259-F291 HydrophobicContact CG-CE2 3.99Å; P259-F291 HydrophobicContact CG-CG 4.34Å; L287-F291 HydrophobicContact CB-CD2 4.22Å; L287-F291 HydrophobicContact CD2-CD2 4.18Å; L287-F291 HydrophobicContact CD2-CE2 3.78Å; L287-F291 WeakPolarHBondContact O-CB 3.08Å; L287-F291 WeakPolarHBondContact O-CD2 3.33Å; L287-F291 PolarHBondContact O-N 2.87Å; F291-L294 HydrophobicContact CD1-CD1 3.85Å; F291-L294 HydrophobicContact CE1-CD1 4.27Å; F291-L294 WeakPolarHBondContact O-CB 3.3Å; F291-L294 PolarHBondContact O-N 3.27Å; F291-R295 WeakPolarHBondContact O-CG 3.41Å; F291-R295 PolarHBondContact O-N 3.31Å
292G91.3Very high89.8Confident4 Ų427.6 Ų27.64%0.04115%0.147CC..Hα-helixtrans-58.2-53.7175.100000113E288 L294 R295 R296E288-G292 VanDerWaalsContact O-CA 3.24Å; E288-G292 WeakPolarHBondContact O-CA 3.36Å; E288-G292 PolarHBondContact O-N 3.43Å; G292-L294 VanDerWaalsContact C-N 3.34Å; G292-L294 PolarHBondContact O-N 3.06Å; G292-R295 PolarHBondContact O-N 2.87Å; G292-R296 PolarHBondContact O-N 2.87Å
293P91.3Very high90.1Very high1 Ų129.5 Ų29.51%0.00616%0.158CC..Hα-helixtrans-57.7-41.5171.4-2331.4000113.4D145 T148 I149 L289 R295 R296 L297D145-P293 HydrophobicContact CB-CB 3.92Å; T148-P293 HydrophobicContact CG2-CG 3.84Å; I149-P293 HydrophobicContact CD1-CB 3.94Å; I149-P293 HydrophobicContact CG1-CB 3.83Å; I149-P293 HydrophobicContact CG1-CG 4.25Å; L289-P293 WeakPolarHBondContact O-CD 3.33Å; L289-P293 WeakPolarHBondContact O-CG 3.45Å; P293-R295 VanDerWaalsContact C-N 3.32Å; P293-R295 PolarHBondContact O-N 3.16Å; P293-R296 PolarHBondContact O-N 2.84Å; P293-R296 VanDerWaalsContact O-N 3.13Å; P293-L297 WeakPolarHBondContact O-CG 3.34Å; P293-L297 PolarHBondContact O-N 3.25Å
294L91.9Very high90.4Very high5 Ų530.2 Ų30.23%0.02616%0.162CC..Hα-helixtrans-58.3-42.5176.4-72.3172000112.1I149 F171 Y174 T255 L290 F291 G292 L297I149-L294 HydrophobicContact CD1-CD2 3.86Å; I149-L294 HydrophobicContact CD1-CG 4.03Å; F171-L294 HydrophobicContact CD2-CD1 4.42Å; F171-L294 HydrophobicContact CE2-CD1 3.72Å; F171-L294 HydrophobicContact CZ-CD1 3.85Å; Y174-L294 HydrophobicContact CD1-CD2 3.94Å; Y174-L294 HydrophobicContact CD2-CB 4.48Å; Y174-L294 HydrophobicContact CD2-CD2 4.44Å; Y174-L294 HydrophobicContact CE1-CD2 3.61Å; Y174-L294 HydrophobicContact CE2-CB 4.02Å; Y174-L294 HydrophobicContact CE2-CD2 4.13Å; Y174-L294 WeakPolarHBondContact CE2-O 3.32Å; Y174-L294 HydrophobicContact CG-CD2 4.36Å; Y174-L294 PolarHBondContact OH-O 2.9Å; Y174-L294 VanDerWaalsContact OH-O 3.1Å; T255-L294 HydrophobicContact CG2-CB 4.09Å; L290-L294 WeakPolarHBondContact O-CG 3.25Å; F291-L294 HydrophobicContact CD1-CD1 3.85Å; F291-L294 HydrophobicContact CE1-CD1 4.27Å; F291-L294 WeakPolarHBondContact O-CB 3.3Å; F291-L294 PolarHBondContact O-N 3.27Å; G292-L294 VanDerWaalsContact C-N 3.34Å; G292-L294 PolarHBondContact O-N 3.06Å; L294-L297 HydrophobicContact CD2-CD1 4.47Å; L294-L297 PolarHBondContact O-N 3.11Å
295R91.1Very high90.6Very high65 Ų6526.8 Ų26.825%0.24514%0.141CC..Hα-helixtrans-64-42.4174-69.6-179.8-167.8136.2-2.5112T255 D256 E288 F291 G292 P293 L297 V298T255-R295 HydrophobicContact CG2-CG 4.13Å; T255-R295 VanDerWaalsContact OG1-CG 3.25Å; T255-R295 WeakPolarHBondContact OG1-CG 3.38Å; T255-R295 PolarHBondContact OG1-NE 3.02Å; D256-R295 IonicContact OD1-CZ 2.72Å; D256-R295 VanDerWaalsContact OD1-CZ 3.25Å; D256-R295 IonicContact OD1-NE 2.78Å; D256-R295 PolarHBondContact OD1-NE 3.37Å; D256-R295 VanDerWaalsContact OD1-NE 3.17Å; D256-R295 IonicContact OD1-NH2 3.85Å; D256-R295 PolarHBondContact OD1-NH2 3.32Å; E288-R295 IonicContact OE2-NH1 2.71Å; F291-R295 WeakPolarHBondContact O-CG 3.41Å; F291-R295 PolarHBondContact O-N 3.31Å; G292-R295 PolarHBondContact O-N 2.87Å; P293-R295 VanDerWaalsContact C-N 3.32Å; P293-R295 PolarHBondContact O-N 3.16Å; R295-L297 VanDerWaalsContact C-N 3.29Å; R295-L297 PolarHBondContact O-N 3.17Å; R295-V298 VanDerWaalsContact O-CB 3.31Å; R295-V298 WeakPolarHBondContact O-CB 3.41Å; R295-V298 WeakPolarHBondContact O-CG2 3.22Å; R295-V298 PolarHBondContact O-N 3.05Å
296R90.9Very high90.8Very high106 Ų10626.4 Ų26.440%0.413%0.133SC..Hα-helixtrans-65.2-31.6177.4-72.1-166.8-60.1-89.75.8113.3D145 G292 P293 V298 A299 S300D145-R296 IonicContact OD1-CZ 3.51Å; D145-R296 IonicContact OD1-NE 3.61Å; D145-R296 PolarHBondContact OD1-NE 3.48Å; D145-R296 IonicContact OD1-NH2 2.74Å; D145-R296 PolarHBondContact OD1-NH2 3.18Å; D145-R296 IonicContact OD2-NE 3.42Å; G292-R296 PolarHBondContact O-N 2.87Å; P293-R296 PolarHBondContact O-N 2.84Å; P293-R296 VanDerWaalsContact O-N 3.13Å; R296-V298 PolarHBondContact O-N 3.19Å; R296-A299 PolarHBondContact O-N 2.88Å; R296-S300 PolarHBondContact O-N 3.13Å; R296-S300 PolarHBondContact O-OG 3.39Å
297L90.7Very high91.1Very high9 Ų926.3 Ų26.35%0.04713%0.133CC..Hα-helixtrans-61.1-29.2176.6-76.1177.2000111.6I142 D145 I149 Y174 P293 L294 R295 S300 F301I142-L297 HydrophobicContact CB-CD2 4.21Å; I142-L297 HydrophobicContact CG1-CD2 3.81Å; I142-L297 HydrophobicContact CG2-CD2 4.05Å; D145-L297 HydrophobicContact CB-CD2 4.07Å; D145-L297 HydrophobicContact CB-CG 4.29Å; I149-L297 HydrophobicContact CD1-CD1 4.15Å; Y174-L297 WeakPolarHBondContact OH-CB 3.3Å; P293-L297 WeakPolarHBondContact O-CG 3.34Å; P293-L297 PolarHBondContact O-N 3.25Å; L294-L297 HydrophobicContact CD2-CD1 4.47Å; L294-L297 PolarHBondContact O-N 3.11Å; R295-L297 VanDerWaalsContact C-N 3.29Å; R295-L297 PolarHBondContact O-N 3.17Å; L297-S300 CarbonylContact O-C 3.51Å; L297-S300 WeakPolarHBondContact O-CA 3.47Å; L297-S300 WeakPolarHBondContact O-CB 3.33Å; L297-S300 PolarHBondContact O-N 3.3Å; L297-F301 VanDerWaalsContact C-CD2 3.5Å; L297-F301 HydrophobicContact CB-CD2 4.41Å; L297-F301 HydrophobicContact CB-CE2 3.86Å; L297-F301 HydrophobicContact CB-CZ 4.41Å; L297-F301 WeakPolarHBondContact O-CD2 3.27Å; L297-F301 VanDerWaalsContact O-CG 3.28Å; L297-F301 WeakPolarHBondContact O-CG 3.41Å; L297-F301 PolarHBondContact O-N 2.74Å
298V86.8Confident91.2Very high1 Ų126.9 Ų26.91%0.00614%0.135CC..Hα-helixtrans-59-52.5173.8-174.80000112.8F248 I251 R295 R296 S300 F301 T302F248-V298 HydrophobicContact CD2-CG1 4.05Å; I251-V298 HydrophobicContact CB-CG1 4.45Å; I251-V298 HydrophobicContact CB-CG2 3.54Å; I251-V298 HydrophobicContact CD1-CB 4.17Å; I251-V298 HydrophobicContact CD1-CG1 3.7Å; I251-V298 HydrophobicContact CD1-CG2 3.59Å; I251-V298 HydrophobicContact CG1-CG2 4.12Å; I251-V298 HydrophobicContact CG2-CG2 3.13Å; R295-V298 VanDerWaalsContact O-CB 3.31Å; R295-V298 WeakPolarHBondContact O-CB 3.41Å; R295-V298 WeakPolarHBondContact O-CG2 3.22Å; R295-V298 PolarHBondContact O-N 3.05Å; R296-V298 PolarHBondContact O-N 3.19Å; V298-S300 PolarHBondContact O-N 3.4Å; V298-F301 PolarHBondContact O-N 3.03Å; V298-T302 PolarHBondContact O-N 3.33Å; V298-T302 VanDerWaalsContact O-N 3.12Å; V298-T302 PolarHBondContact O-OG1 2.74Å
299A87.5Confident91.4Very high51 Ų5121.5 Ų21.542%0.42111%0.11SC..Hα-helixtrans-60.4-42.4176.300000109.5R296 F301 T302 T303R296-A299 PolarHBondContact O-N 2.88Å; A299-F301 VanDerWaalsContact C-N 3.35Å; A299-F301 PolarHBondContact O-N 3.47Å; A299-T302 PolarHBondContact O-N 3.18Å; A299-T303 PolarHBondContact O-N 3.01Å; A299-T303 PolarHBondContact O-OG1 3.41Å
300S91.7Very high91.6Very high13 Ų1320.1 Ų20.19%0.09110%0.103CC..Hα-helixtrans-60-41.1177.3-58.90000112.9R296 L297 V298 T303 L304R296-S300 PolarHBondContact O-N 3.13Å; R296-S300 PolarHBondContact O-OG 3.39Å; L297-S300 CarbonylContact O-C 3.51Å; L297-S300 WeakPolarHBondContact O-CA 3.47Å; L297-S300 WeakPolarHBondContact O-CB 3.33Å; L297-S300 PolarHBondContact O-N 3.3Å; V298-S300 PolarHBondContact O-N 3.4Å; S300-T303 PolarHBondContact O-N 3.45Å; S300-L304 WeakPolarHBondContact O-CB 3.4Å; S300-L304 WeakPolarHBondContact O-CG 3.46Å; S300-L304 PolarHBondContact O-N 3.34Å
301F89.3Confident91.8Very high51 Ų5120.1 Ų20.122%0.22410%0.103CC..Hα-helixtrans-63.7-44.3175.9-70.2-55.8000111.5V178 F182 L297 V298 A299 T303 L304 T305V178-F301 HydrophobicContact CB-CE2 4.34Å; V178-F301 HydrophobicContact CG1-CD1 4.36Å; V178-F301 HydrophobicContact CG1-CD2 3.76Å; V178-F301 HydrophobicContact CG1-CE1 4.18Å; V178-F301 HydrophobicContact CG1-CE2 3.56Å; V178-F301 HydrophobicContact CG1-CG 4.19Å; V178-F301 HydrophobicContact CG1-CZ 3.8Å; V178-F301 HydrophobicContact CG2-CD2 4.09Å; V178-F301 HydrophobicContact CG2-CE2 3.76Å; F182-F301 HydrophobicContact CD2-CD1 4.4Å; F182-F301 HydrophobicContact CE2-CD1 4.41Å; L297-F301 VanDerWaalsContact C-CD2 3.5Å; L297-F301 HydrophobicContact CB-CD2 4.41Å; L297-F301 HydrophobicContact CB-CE2 3.86Å; L297-F301 HydrophobicContact CB-CZ 4.41Å; L297-F301 WeakPolarHBondContact O-CD2 3.27Å; L297-F301 VanDerWaalsContact O-CG 3.28Å; L297-F301 WeakPolarHBondContact O-CG 3.41Å; L297-F301 PolarHBondContact O-N 2.74Å; V298-F301 PolarHBondContact O-N 3.03Å; A299-F301 VanDerWaalsContact C-N 3.35Å; A299-F301 PolarHBondContact O-N 3.47Å; F301-T303 PolarHBondContact O-N 3.42Å; F301-L304 WeakPolarHBondContact O-CB 3.06Å; F301-L304 PolarHBondContact O-N 2.98Å; F301-L304 VanDerWaalsContact O-N 3.16Å; F301-T305 WeakPolarHBondContact O-CG2 3.35Å; F301-T305 PolarHBondContact O-N 3.4Å
302T88.4Confident91.8Very high22 Ų2222 Ų2214%0.13511%0.112CC..Hα-helixtrans-60.1-48.6177.1-570000110.6N244 V298 A299 L304 T305 Q306N244-T302 VanDerWaalsContact OD1-CG2 3.3Å; N244-T302 WeakPolarHBondContact OD1-CG2 3.44Å; N244-T302 PolarHBondContact OD1-OG1 3.17Å; N244-T302 VanDerWaalsContact OD1-OG1 3.12Å; V298-T302 PolarHBondContact O-N 3.33Å; V298-T302 VanDerWaalsContact O-N 3.12Å; V298-T302 PolarHBondContact O-OG1 2.74Å; A299-T302 PolarHBondContact O-N 3.18Å; T302-L304 VanDerWaalsContact C-N 3.28Å; T302-L304 PolarHBondContact O-N 3.31Å; T302-T305 PolarHBondContact O-N 3.4Å; T302-T305 VanDerWaalsContact O-N 3.14Å; T302-T305 PolarHBondContact O-OG1 2.93Å; T302-Q306 PolarHBondContact O-N 3.01Å; T302-Q306 VanDerWaalsContact O-N 3.08Å
303T92.8Very high91.9Very high43 Ų4321.9 Ų21.926%0.26411%0.111SC..Hα-helixtrans-60.3-37.8175.2-50.70000111.9D133 A299 S300 F301 Q306 S307D133-T303 HydrophobicContact CB-CG2 3.48Å; D133-T303 VanDerWaalsContact CB-CG2 3.48Å; D133-T303 WeakPolarHBondContact OD2-CG2 3.44Å; A299-T303 PolarHBondContact O-N 3.01Å; A299-T303 PolarHBondContact O-OG1 3.41Å; S300-T303 PolarHBondContact O-N 3.45Å; F301-T303 PolarHBondContact O-N 3.42Å; T303-Q306 WeakPolarHBondContact O-CB 3.49Å; T303-Q306 PolarHBondContact O-N 3.37Å; T303-S307 PolarHBondContact O-N 3.31Å
304L93.4Very high92.1Very high14 Ų1422 Ų227%0.07311%0.111CC..Hα-helixtrans-67.3-38.8174.5-81.6-171.3000113.4F134 T137 I142 S300 F301 T302 Q306 S307 F308F134-L304 HydrophobicContact CD2-CD2 3.87Å; T137-L304 HydrophobicContact CG2-CG 4.37Å; I142-L304 HydrophobicContact CD1-CD1 3.31Å; I142-L304 HydrophobicContact CD1-CG 4.15Å; S300-L304 WeakPolarHBondContact O-CB 3.4Å; S300-L304 WeakPolarHBondContact O-CG 3.46Å; S300-L304 PolarHBondContact O-N 3.34Å; F301-L304 WeakPolarHBondContact O-CB 3.06Å; F301-L304 PolarHBondContact O-N 2.98Å; F301-L304 VanDerWaalsContact O-N 3.16Å; T302-L304 VanDerWaalsContact C-N 3.28Å; T302-L304 PolarHBondContact O-N 3.31Å; L304-Q306 PolarHBondContact O-N 2.81Å; L304-S307 PolarHBondContact O-N 2.89Å; L304-F308 HydrophobicContact CB-CD2 4.43Å; L304-F308 HydrophobicContact CB-CE2 4.16Å; L304-F308 HydrophobicContact CD1-CE2 4.49Å; L304-F308 HydrophobicContact CD2-CZ 4.5Å; L304-F308 WeakPolarHBondContact O-CB 3.33Å; L304-F308 WeakPolarHBondContact O-CD2 3.23Å; L304-F308 WeakPolarHBondContact O-CG 3.42Å; L304-F308 PolarHBondContact O-N 3.08Å
305T92.6Very high92.2Very high1 Ų122.1 Ų22.11%0.00611%0.112CC..Hα-helixtrans-62.1-36.617565.50000111.2F182 L185 R186 F301 T302 A309F182-T305 HydrophobicContact CD2-CG2 3.81Å; F182-T305 HydrophobicContact CE2-CG2 3.66Å; F182-T305 HydrophobicContact CG-CG2 4.41Å; F182-T305 HydrophobicContact CZ-CG2 4.14Å; L185-T305 HydrophobicContact CB-CG2 4.17Å; R186-T305 HydrophobicContact CB-CG2 4.11Å; F301-T305 WeakPolarHBondContact O-CG2 3.35Å; F301-T305 PolarHBondContact O-N 3.4Å; T302-T305 PolarHBondContact O-N 3.4Å; T302-T305 VanDerWaalsContact O-N 3.14Å; T302-T305 PolarHBondContact O-OG1 2.93Å; T305-A309 VanDerWaalsContact O-CB 3.29Å; T305-A309 WeakPolarHBondContact O-CB 3.32Å; T305-A309 PolarHBondContact O-N 2.87Å
306Q92.9Very high92.3Very high16 Ų1623.2 Ų23.28%0.07512%0.12CC..Hα-helixtrans-61.9-50.6171.2-178.46547.700112.2Q130 T189 R192 S193 T302 T303 L304 F308 A309 S310Q130-Q306 HydrophobicContact CB-CG 4.39Å; Q130-Q306 HydrophobicContact CG-CG 4.36Å; T189-Q306 HydrophobicContact CG2-CB 4.07Å; T189-Q306 VanDerWaalsContact CG2-CD 3.49Å; T189-Q306 HydrophobicContact CG2-CG 4.41Å; R192-Q306 VanDerWaalsContact CZ-OE1 3.25Å; S193-Q306 PolarHBondContact OG-NE2 3.31Å; T302-Q306 PolarHBondContact O-N 3.01Å; T302-Q306 VanDerWaalsContact O-N 3.08Å; T303-Q306 WeakPolarHBondContact O-CB 3.49Å; T303-Q306 PolarHBondContact O-N 3.37Å; L304-Q306 PolarHBondContact O-N 2.81Å; Q306-F308 PolarHBondContact O-N 2.92Å; Q306-A309 PolarHBondContact O-N 2.86Å; Q306-S310 PolarHBondContact NE2-OG 3.49Å; Q306-S310 WeakPolarHBondContact O-CB 3.34Å; Q306-S310 PolarHBondContact O-N 3.45Å; Q306-S310 PolarHBondContact O-OG 2.66Å
307S95.2Very high92.4Very high0 Ų018.1 Ų18.10%010%0.1CC..Hα-helixtrans-61.5-47.7-179.2-155.30000111.1Q130 T131 F134 T303 L304 A309 S310 M311Q130-S307 WeakPolarHBondContact O-CA 3.27Å; Q130-S307 WeakPolarHBondContact O-CB 3.01Å; Q130-S307 PolarHBondContact O-OG 3.27Å; T131-S307 WeakPolarHBondContact CA-OG 3.43Å; T131-S307 PolarHBondContact O-OG 3.49Å; F134-S307 VanDerWaalsContact CB-OG 3.29Å; F134-S307 WeakPolarHBondContact CB-OG 3.2Å; F134-S307 PolarHBondContact N-OG 3.43Å; T303-S307 PolarHBondContact O-N 3.31Å; L304-S307 PolarHBondContact O-N 2.89Å; S307-A309 PolarHBondContact O-N 3.22Å; S307-S310 PolarHBondContact O-N 3Å; S307-M311 WeakPolarHBondContact O-CB 3.39Å; S307-M311 WeakPolarHBondContact O-CG 3.24Å; S307-M311 PolarHBondContact O-N 2.87Å
308F94.6Very high92.5Very high20 Ų2018.7 Ų18.79%0.08810%0.103CC..Hα-helixtrans-62.3-42.7177.4-68.6-38.9000113.5M1 I2 F134 F182 L304 Q306 S310 M311 D312M1-F308 HydrophobicContact CE-CB 3.95Å; M1-F308 HydrophobicContact CE-CD1 3.9Å; M1-F308 HydrophobicContact CE-CG 4.29Å; M1-F308 WeakPolarHBondContact CE-O 3.14Å; M1-F308 HydrophobicContact SD-CD1 4.35Å; I2-F308 HydrophobicContact CD1-CD1 4.39Å; I2-F308 HydrophobicContact CD1-CE1 3.61Å; I2-F308 HydrophobicContact CD1-CZ 3.85Å; I2-F308 HydrophobicContact CG1-CD1 4.32Å; I2-F308 HydrophobicContact CG1-CE1 3.79Å; F134-F308 HydrophobicContact CD2-CD1 4.33Å; F134-F308 AromaticContact CD2-CE1 3.47Å; F134-F308 HydrophobicContact CD2-CE1 3.47Å; F134-F308 VanDerWaalsContact CD2-CE1 3.47Å; F134-F308 AromaticContact CD2-CZ 3.92Å; F134-F308 HydrophobicContact CD2-CZ 3.92Å; F134-F308 AromaticContact CE2-CE1 3.47Å; F134-F308 HydrophobicContact CE2-CE1 3.47Å; F134-F308 VanDerWaalsContact CE2-CE1 3.47Å; F134-F308 AromaticContact CE2-CZ 3.77Å; F134-F308 HydrophobicContact CE2-CZ 3.77Å; F134-F308 HydrophobicContact CZ-CE1 4.49Å; F182-F308 HydrophobicContact CZ-CD2 4.17Å; F182-F308 HydrophobicContact CZ-CE2 4.15Å; L304-F308 HydrophobicContact CB-CD2 4.43Å; L304-F308 HydrophobicContact CB-CE2 4.16Å; L304-F308 HydrophobicContact CD1-CE2 4.49Å; L304-F308 HydrophobicContact CD2-CZ 4.5Å; L304-F308 WeakPolarHBondContact O-CB 3.33Å; L304-F308 WeakPolarHBondContact O-CD2 3.23Å; L304-F308 WeakPolarHBondContact O-CG 3.42Å; L304-F308 PolarHBondContact O-N 3.08Å; Q306-F308 PolarHBondContact O-N 2.92Å; F308-S310 VanDerWaalsContact C-N 3.27Å; F308-S310 PolarHBondContact O-N 3.29Å; F308-M311 HydrophobicContact CD1-SD 3.7Å; F308-M311 HydrophobicContact CE1-SD 4.28Å; F308-M311 PolarHBondContact O-N 3.34Å; F308-D312 VanDerWaalsContact O-CG 3.31Å; F308-D312 PolarHBondContact O-N 2.82Å
309A92.4Very high92.8Very high0 Ų023 Ų230%013%0.127CC..Hα-helixtrans-61.8-37.8176.500000112.1T189 R190 T305 Q306 S307 R313T189-A309 HydrophobicContact CG2-CB 4.05Å; R190-A309 HydrophobicContact CB-CB 3.94Å; T305-A309 VanDerWaalsContact O-CB 3.29Å; T305-A309 WeakPolarHBondContact O-CB 3.32Å; T305-A309 PolarHBondContact O-N 2.87Å; Q306-A309 PolarHBondContact O-N 2.86Å; S307-A309 PolarHBondContact O-N 3.22Å; A309-R313 WeakPolarHBondContact O-CG 3.41Å; A309-R313 PolarHBondContact O-N 3.45Å
310S94.3Very high92.9Very high0 Ų024.4 Ų24.40%012%0.124CC..Hα-helixtrans-74.2-40178.6-47.60000111.2D127 Q130 Q306 S307 F308 D312 R313 V314D127-S310 WeakPolarHBondContact O-CB 3.29Å; Q130-S310 WeakPolarHBondContact CB-OG 3.31Å; Q306-S310 PolarHBondContact NE2-OG 3.49Å; Q306-S310 WeakPolarHBondContact O-CB 3.34Å; Q306-S310 PolarHBondContact O-N 3.45Å; Q306-S310 PolarHBondContact O-OG 2.66Å; S307-S310 PolarHBondContact O-N 3Å; F308-S310 VanDerWaalsContact C-N 3.27Å; F308-S310 PolarHBondContact O-N 3.29Å; S310-D312 VanDerWaalsContact C-N 3.33Å; S310-D312 PolarHBondContact O-N 3.27Å; S310-R313 WeakPolarHBondContact O-CB 3.2Å; S310-R313 PolarHBondContact O-N 3.04Å; S310-R313 VanDerWaalsContact O-N 3.16Å; S310-V314 WeakPolarHBondContact O-CG2 3.35Å; S310-V314 PolarHBondContact O-N 2.79Å
311M95.2Very high92.5Very high0 Ų028.4 Ų28.40%015%0.145CC..Hα-helixtrans-59.2-42.1171.9-67160.793.100111.7M1 Y5 T131 F134 S307 F308 R313 V314 F315M1-M311 HydrophobicContact CE-CB 3.94Å; M1-M311 HydrophobicContact CG-CB 4.12Å; M1-M311 HydrophobicContact SD-CB 3.57Å; M1-M311 VanDerWaalsContact SD-CB 3.57Å; M1-M311 HydrophobicContact SD-CE 3.76Å; M1-M311 HydrophobicContact SD-CG 4.31Å; M1-M311 HydrophobicContact SD-SD 3.92Å; Y5-M311 HydrophobicContact CD1-CE 3.67Å; Y5-M311 HydrophobicContact CD2-CE 3.4Å; Y5-M311 HydrophobicContact CD2-CG 4.29Å; Y5-M311 HydrophobicContact CE1-CE 4.31Å; Y5-M311 HydrophobicContact CE2-CE 4.05Å; Y5-M311 HydrophobicContact CE2-CG 4.47Å; Y5-M311 HydrophobicContact CG-CE 3.16Å; T131-M311 HydrophobicContact CG2-CB 4.31Å; T131-M311 HydrophobicContact CG2-CG 3.5Å; T131-M311 VanDerWaalsContact CG2-CG 3.5Å; F134-M311 HydrophobicContact CB-CE 4.39Å; F134-M311 HydrophobicContact CB-SD 4.06Å; F134-M311 HydrophobicContact CD1-CE 3.96Å; F134-M311 HydrophobicContact CE1-CE 4.39Å; F134-M311 HydrophobicContact CG-CE 4.04Å; F134-M311 HydrophobicContact CG-SD 4.16Å; S307-M311 WeakPolarHBondContact O-CB 3.39Å; S307-M311 WeakPolarHBondContact O-CG 3.24Å; S307-M311 PolarHBondContact O-N 2.87Å; F308-M311 HydrophobicContact CD1-SD 3.7Å; F308-M311 HydrophobicContact CE1-SD 4.28Å; F308-M311 PolarHBondContact O-N 3.34Å; M311-R313 VanDerWaalsContact C-N 3.27Å; M311-R313 PolarHBondContact O-N 3.07Å; M311-V314 PolarHBondContact O-N 2.96Å; M311-F315 HydrophobicContact CB-CD2 4.43Å; M311-F315 WeakPolarHBondContact O-CB 3.35Å; M311-F315 WeakPolarHBondContact O-CD2 3.46Å; M311-F315 PolarHBondContact O-N 2.88Å
312D93.4Very high92.1Very high39 Ų3929.9 Ų29.921%0.20915%0.149CC..Hα-helixtrans-57.9-41.2176.4-73.1-30.5000111.1M1 R186 F308 S310 Q316M1-D312 WeakPolarHBondContact CE-OD1 3.24Å; R186-D312 IonicContact CZ-OD2 3.17Å; R186-D312 IonicContact NE-OD2 3.41Å; R186-D312 IonicContact NH2-OD1 3.7Å; R186-D312 PolarHBondContact NH2-OD1 3.45Å; R186-D312 IonicContact NH2-OD2 3.74Å; R186-D312 PolarHBondContact NH2-OD2 3.22Å; F308-D312 VanDerWaalsContact O-CG 3.31Å; F308-D312 PolarHBondContact O-N 2.82Å; S310-D312 VanDerWaalsContact C-N 3.33Å; S310-D312 PolarHBondContact O-N 3.27Å; D312-Q316 VanDerWaalsContact O-CB 3.3Å; D312-Q316 WeakPolarHBondContact O-CB 3.39Å; D312-Q316 PolarHBondContact O-N 3.26Å
313R93.1Very high91.5Very high2 Ų232 Ų321%0.00816%0.16CC..Hα-helixtrans-70.6-41.3177.8-65168.759.579.17.9112.9D127 A309 S310 M311 Q316 L317D127-R313 VanDerWaalsContact CG-NE 3.34Å; D127-R313 IonicContact OD1-NE 3.64Å; D127-R313 PolarHBondContact OD1-NE 3.44Å; D127-R313 IonicContact OD2-CZ 3.52Å; D127-R313 IonicContact OD2-NE 3.78Å; D127-R313 PolarHBondContact OD2-NE 2.96Å; D127-R313 IonicContact OD2-NH2 3.63Å; D127-R313 PolarHBondContact OD2-NH2 3.3Å; A309-R313 WeakPolarHBondContact O-CG 3.41Å; A309-R313 PolarHBondContact O-N 3.45Å; S310-R313 WeakPolarHBondContact O-CB 3.2Å; S310-R313 PolarHBondContact O-N 3.04Å; S310-R313 VanDerWaalsContact O-N 3.16Å; M311-R313 VanDerWaalsContact C-N 3.27Å; M311-R313 PolarHBondContact O-N 3.07Å; R313-Q316 PolarHBondContact O-N 3.35Å; R313-L317 PolarHBondContact O-N 3.08Å; R313-L317 VanDerWaalsContact O-N 3.09Å
314V95.4Very high90.9Very high3 Ų330.9 Ų30.92%0.01815%0.152CC..Hα-helixtrans-61.6-46.7175167.90000110.5I96 L100 D127 V128 T131 S310 M311 L317 I318I96-V314 HydrophobicContact CG2-CG1 4.18Å; L100-V314 HydrophobicContact CD1-CG1 4.09Å; D127-V314 HydrophobicContact CB-CG2 3.75Å; V128-V314 HydrophobicContact CG2-CG1 4.25Å; V128-V314 HydrophobicContact CG2-CG2 3.64Å; T131-V314 HydrophobicContact CG2-CG2 4.26Å; S310-V314 WeakPolarHBondContact O-CG2 3.35Å; S310-V314 PolarHBondContact O-N 2.79Å; M311-V314 PolarHBondContact O-N 2.96Å; V314-L317 WeakPolarHBondContact O-CB 3.24Å; V314-L317 PolarHBondContact O-N 2.91Å; V314-I318 HydrophobicContact CG1-CD1 3.88Å; V314-I318 WeakPolarHBondContact O-CG1 3.43Å; V314-I318 PolarHBondContact O-N 2.9Å
315F95.2Very high90.3Very high9 Ų935.1 Ų35.14%0.03917%0.17CC..Hα-helixtrans-70.7-32.5178.7-78.5-63.6000112.7M1 R4 Y5 F8 M311 L317 I318 D319M1-F315 HydrophobicContact CG-CD2 3.55Å; M1-F315 HydrophobicContact CG-CE2 4.03Å; M1-F315 HydrophobicContact CG-CG 4.49Å; R4-F315 HydrophobicContact CB-CD1 4.33Å; R4-F315 HydrophobicContact CB-CE1 3.65Å; R4-F315 HydrophobicContact CB-CE2 4.41Å; R4-F315 HydrophobicContact CB-CZ 3.71Å; Y5-F315 HydrophobicContact CD2-CE2 4.21Å; Y5-F315 HydrophobicContact CD2-CZ 4.41Å; F8-F315 HydrophobicContact CE2-CE1 4.2Å; F8-F315 HydrophobicContact CE2-CZ 4.21Å; M311-F315 HydrophobicContact CB-CD2 4.43Å; M311-F315 WeakPolarHBondContact O-CB 3.35Å; M311-F315 WeakPolarHBondContact O-CD2 3.46Å; M311-F315 PolarHBondContact O-N 2.88Å; F315-L317 PolarHBondContact O-N 3.22Å; F315-I318 HydrophobicContact CD1-CB 4.41Å; F315-I318 HydrophobicContact CD1-CD1 3.9Å; F315-I318 HydrophobicContact CE1-CD1 4.02Å; F315-I318 CarbonylContact O-C 3.54Å; F315-I318 PolarHBondContact O-N 3.12Å; F315-I318 VanDerWaalsContact O-N 3.14Å; F315-D319 WeakPolarHBondContact O-CB 3.47Å; F315-D319 PolarHBondContact O-N 2.68Å
316Q92.4Very high89.8Confident87 Ų8738.8 Ų38.841%0.40719%0.189SC..Hα-helixtrans-58.2-38.4169.9-174.7178.25.400111.6D312 R313 E320D312-Q316 VanDerWaalsContact O-CB 3.3Å; D312-Q316 WeakPolarHBondContact O-CB 3.39Å; D312-Q316 PolarHBondContact O-N 3.26Å; R313-Q316 PolarHBondContact O-N 3.35Å; Q316-E320 PolarHBondContact O-N 3.14Å
317L93.4Very high89.1Confident0 Ų039.9 Ų39.90%021%0.205CC..Hα-helixtrans-70.3-39.6173.2179.860.1000112.5L100 H103 L104 L107 F111 R123 V124 R313 V314 F315 D319 E320L100-L317 HydrophobicContact CD2-CB 4.46Å; L100-L317 HydrophobicContact CD2-CD2 3.86Å; L100-L317 HydrophobicContact CD2-CG 4.05Å; H103-L317 PolarHBondContact CD2-O 3.49Å; H103-L317 PolarHBondContact NE2-O 3.39Å; L104-L317 HydrophobicContact CD2-CD1 4.08Å; L104-L317 HydrophobicContact CD2-CD2 4.36Å; L107-L317 HydrophobicContact CD1-CD1 4.44Å; F111-L317 HydrophobicContact CE1-CD1 4.39Å; F111-L317 HydrophobicContact CE2-CD1 4.2Å; F111-L317 HydrophobicContact CZ-CD1 3.59Å; R123-L317 HydrophobicContact CB-CD2 3.89Å; V124-L317 HydrophobicContact CG2-CD2 4.08Å; R313-L317 PolarHBondContact O-N 3.08Å; R313-L317 VanDerWaalsContact O-N 3.09Å; V314-L317 WeakPolarHBondContact O-CB 3.24Å; V314-L317 PolarHBondContact O-N 2.91Å; F315-L317 PolarHBondContact O-N 3.22Å; L317-D319 VanDerWaalsContact C-N 3.26Å; L317-D319 PolarHBondContact O-N 3.31Å; L317-E320 WeakPolarHBondContact O-CB 3.47Å; L317-E320 PolarHBondContact O-N 3.05Å
318I93.2Very high88.2Confident20 Ų2047.7 Ų47.710%0.10325%0.252CS..Hα-helixtrans-68.1-28.2176.8-66.6169.9000112.1L100 H103 V314 F315 E320L100-I318 HydrophobicContact CD2-CD1 4.1Å; L100-I318 HydrophobicContact CD2-CG1 3.45Å; L100-I318 VanDerWaalsContact CD2-CG1 3.45Å; L100-I318 HydrophobicContact CG-CD1 4.42Å; L100-I318 HydrophobicContact CG-CG1 4.23Å; H103-I318 PolarHBondContact CE1-O 3.27Å; V314-I318 HydrophobicContact CG1-CD1 3.88Å; V314-I318 WeakPolarHBondContact O-CG1 3.43Å; V314-I318 PolarHBondContact O-N 2.9Å; F315-I318 HydrophobicContact CD1-CB 4.41Å; F315-I318 HydrophobicContact CD1-CD1 3.9Å; F315-I318 HydrophobicContact CE1-CD1 4.02Å; F315-I318 CarbonylContact O-C 3.54Å; F315-I318 PolarHBondContact O-N 3.12Å; F315-I318 VanDerWaalsContact O-N 3.14Å; I318-E320 VanDerWaalsContact C-N 3.31Å
319D92.2Very high87.6Confident93 Ų9349.5 Ų49.550%0.49728%0.276SS..THydrogen-bonded Turntrans-84.8-6179.5-70.5-31.5000112.7R4 F315 L317 D321R4-D319 IonicContact CZ-OD1 2.58Å; R4-D319 IonicContact CZ-OD2 2.96Å; R4-D319 IonicContact NH1-OD1 2.74Å; R4-D319 PolarHBondContact NH1-OD1 3.37Å; R4-D319 IonicContact NH1-OD2 3.67Å; R4-D319 PolarHBondContact NH1-OD2 3.25Å; R4-D319 IonicContact NH2-OD1 3.25Å; R4-D319 PolarHBondContact NH2-OD1 3.39Å; R4-D319 IonicContact NH2-OD2 2.66Å; F315-D319 WeakPolarHBondContact O-CB 3.47Å; F315-D319 PolarHBondContact O-N 2.68Å; L317-D319 VanDerWaalsContact C-N 3.26Å; L317-D319 PolarHBondContact O-N 3.31Å; D319-D321 PolarHBondContact O-N 2.77Å
320E90.1Very high87.3Confident79 Ų7950.1 Ų50.137%0.36928%0.282SS..PPolyproline II helixtrans-59.4123.7171-166.870.8-166.100108H103 L107 F111 Q316 L317 I318H103-E320 PolarHBondContact CE1-O 3.17Å; H103-E320 PolarHBondContact NE2-O 3.43Å; L107-E320 HydrophobicContact CD1-CB 4.47Å; L107-E320 HydrophobicContact CD1-CG 4.36Å; L107-E320 HydrophobicContact CD2-CB 4.01Å; L107-E320 HydrophobicContact CD2-CG 3.79Å; F111-E320 HydrophobicContact CD2-CG 3.61Å; F111-E320 HydrophobicContact CE2-CG 3.79Å; Q316-E320 PolarHBondContact O-N 3.14Å; L317-E320 WeakPolarHBondContact O-CB 3.47Å; L317-E320 PolarHBondContact O-N 3.05Å; I318-E320 VanDerWaalsContact C-N 3.31Å
321D83.5Confident87.1Confident98 Ų9855.5 Ų55.552%0.52431%0.307SS..PPolyproline II helixtrans-77.1153.4-175.6-155.77.5000110.7D319 D323 K325D319-D321 PolarHBondContact O-N 2.77Å; D321-D323 PolarHBondContact O-N 3.23Å; D321-K325 WeakPolarHBondContact OD1-CE 3.4Å; D321-K325 IonicContact OD1-NZ 3.94Å; D321-K325 PolarHBondContact OD1-NZ 3.34Å; D321-K325 IonicContact OD2-NZ 2.66Å; D321-K325 PolarHBondContact OD2-NZ 3.39Å
322Y80.5Confident86.9Confident81 Ų8159.6 Ų59.632%0.31833%0.333SS..PPolyproline II helixtrans-79.2119.7171-50.6-61.5000108.6H103 A106 L107 I324 K325H103-Y322 AromaticContact CE1-CE1 3.39Å; H103-Y322 WeakPolarHBondContact CE1-CE1 3.43Å; H103-Y322 AromaticContact CE1-CZ 3.66Å; H103-Y322 AromaticContact ND1-CE1 3.15Å; H103-Y322 WeakPolarHBondContact ND1-CE1 2.93Å; H103-Y322 AromaticContact ND1-CZ 3.22Å; H103-Y322 PolarHBondContact ND1-OH 3.29Å; A106-Y322 HydrophobicContact CB-CD1 3.76Å; A106-Y322 HydrophobicContact CB-CE1 3.35Å; A106-Y322 WeakPolarHBondContact O-CD1 2.89Å; L107-Y322 HydrophobicContact CD2-CD1 4.02Å; L107-Y322 HydrophobicContact CD2-CE1 4.36Å; Y322-I324 PolarHBondContact O-N 3.5Å; Y322-K325 WeakPolarHBondContact O-CE 3.48Å
323D76.8Confident86.8Confident66 Ų6659.4 Ų59.435%0.35333%0.332SS..SBendtrans-61.1-32.1171.7-66.7-38.3000111.3S108 R110 D321S108-D323 VanDerWaalsContact CB-OD2 3.29Å; S108-D323 WeakPolarHBondContact CB-OD2 3.38Å; S108-D323 PolarHBondContact OG-OD2 2.81Å; R110-D323 VanDerWaalsContact CB-OD2 3.31Å; R110-D323 WeakPolarHBondContact CB-OD2 3.36Å; R110-D323 IonicContact NE-OD2 3.03Å; R110-D323 IonicContact NH1-OD1 3.17Å; D321-D323 PolarHBondContact O-N 3.23Å
324I79.5Confident86.8Confident20 Ų2066.2 Ų66.210%0.10336%0.364CS..SBendtrans-113.4109.8-179.5-62.1154.8000108.7Y322 R389 F390 T410Y322-I324 PolarHBondContact O-N 3.5Å; I324-R389 WeakPolarHBondContact CD1-O 3.42Å; I324-R389 HydrophobicContact CG2-CG 4.35Å; I324-F390 VanDerWaalsContact CD1-C 3.43Å; I324-F390 WeakPolarHBondContact CD1-O 3.44Å; I324-T410 HydrophobicContact CG2-CG2 4.39Å
325K80Confident86.7Confident103 Ų10366.5 Ų66.545%0.44837%0.365SS..  trans-110.5137.1171.1-65.5173.9-174.2166.50108.8D321 Y322 G327 R389D321-K325 WeakPolarHBondContact OD1-CE 3.4Å; D321-K325 IonicContact OD1-NZ 3.94Å; D321-K325 PolarHBondContact OD1-NZ 3.34Å; D321-K325 IonicContact OD2-NZ 2.66Å; D321-K325 PolarHBondContact OD2-NZ 3.39Å; Y322-K325 WeakPolarHBondContact O-CE 3.48Å; K325-G327 PolarHBondContact O-N 2.67Å; K325-R389 PolarHBondContact O-NH2 2.8Å
326N82.5Confident86.4Confident78 Ų7874 Ų7442%0.41740%0.398SS..  trans-60.7127.1163.6-67-29.8000107.5A330 L409 T410N326-A330 HydrophobicContact CB-CB 3.97Å; N326-L409 HydrophobicContact CB-CD2 4.28Å; N326-T410 WeakPolarHBondContact OD1-CB 3.42Å; N326-T410 PolarHBondContact OD1-N 2.97Å; N326-T410 PolarHBondContact OD1-OG1 3.33Å
327G77.7Confident86.3Confident39 Ų3975.1 Ų75.140%0.40240%0.403SS..  trans-61.4160.317700000111.8K325 G329 A330K325-G327 PolarHBondContact O-N 2.67Å; G327-G329 PolarHBondContact O-N 3.34Å; G327-A330 WeakPolarHBondContact O-CB 3.22Å; G327-A330 PolarHBondContact O-N 3.37Å; G327-A330 VanDerWaalsContact O-N 3.09Å
328V77.5Confident86.3Confident165 Ų16575.1 Ų75.1100%140%0.403SS*.THydrogen-bonded Turntrans-62.4110.4170.1179.80000107.6
329G81.3Confident86.4Confident57 Ų5777.8 Ų77.859%0.58841%0.412SS*.THydrogen-bonded Turntrans102.81.5-17800000115.7G327 Q331G327-G329 PolarHBondContact O-N 3.34Å; G329-Q331 WeakPolarHBondContact O-CG 3.48Å; G329-Q331 PolarHBondContact O-N 2.91Å; G329-Q331 PolarHBondContact O-NE2 3.49Å
330A87Confident86.7Confident14 Ų1473.4 Ų73.412%0.11639%0.388CS..  trans-55132.9176.200000112.1N326 G327 D407 L409N326-A330 HydrophobicContact CB-CB 3.97Å; G327-A330 WeakPolarHBondContact O-CB 3.22Å; G327-A330 PolarHBondContact O-N 3.37Å; G327-A330 VanDerWaalsContact O-N 3.09Å; A330-D407 CarbonylContact C-O 3.59Å; A330-D407 WeakPolarHBondContact CA-O 2.97Å; A330-L409 HydrophobicContact CB-CD2 4.01Å
331Q90.2Very high87Confident113 Ų11370.6 Ų70.653%0.52838%0.376SS..BIsolated β-bridgetrans-117.2155.3-173.9-62.8-56.2-43.100112G329 I333 D407 F408 L409G329-Q331 WeakPolarHBondContact O-CG 3.48Å; G329-Q331 PolarHBondContact O-N 2.91Å; G329-Q331 PolarHBondContact O-NE2 3.49Å; Q331-I333 VanDerWaalsContact C-N 3.28Å; Q331-I333 HydrophobicContact CB-CG1 3.98Å; Q331-I333 PolarHBondContact O-N 3.47Å; Q331-D407 PolarHBondContact N-O 3.4Å; Q331-F408 WeakPolarHBondContact O-CA 3.42Å; Q331-L409 PolarHBondContact O-N 2.96Å
332P90.6Very high87.7Confident86 Ų8666.1 Ų66.156%0.55835%0.352SS*.  trans-7483.6166.731-31.5000109.4L409 S412P332-L409 HydrophobicContact CB-CD1 4.1Å; P332-L409 HydrophobicContact CG-CD1 4.3Å; P332-S412 WeakPolarHBondContact CA-OG 3.21Å
333I90.6Very high88.5Confident34 Ų3465 Ų6517%0.17435%0.351CS..PPolyproline II helixtrans-85.2128.5179.8-57.8170.5000108.9Q331 H403 D407 F408 S412 Q416Q331-I333 VanDerWaalsContact C-N 3.28Å; Q331-I333 HydrophobicContact CB-CG1 3.98Å; Q331-I333 PolarHBondContact O-N 3.47Å; I333-H403 HydrophobicContact CD1-CB 4.26Å; I333-D407 HydrophobicContact CD1-CB 4.39Å; I333-F408 HydrophobicContact CB-CD1 3.7Å; I333-F408 HydrophobicContact CB-CE1 3.49Å; I333-F408 VanDerWaalsContact CB-CE1 3.49Å; I333-F408 HydrophobicContact CB-CG 4.3Å; I333-F408 HydrophobicContact CB-CZ 3.94Å; I333-F408 HydrophobicContact CD1-CD2 4.13Å; I333-F408 HydrophobicContact CD1-CE2 4.15Å; I333-F408 HydrophobicContact CD1-CG 4.36Å; I333-F408 HydrophobicContact CD1-CZ 4.37Å; I333-F408 HydrophobicContact CG2-CD1 4.37Å; I333-F408 HydrophobicContact CG2-CE1 3.65Å; I333-F408 HydrophobicContact CG2-CZ 3.74Å; I333-F408 WeakPolarHBondContact O-CE1 3.49Å; I333-S412 PolarHBondContact O-OG 3.27Å; I333-Q416 PolarHBondContact O-NE2 3.26Å
334E93.1Very high89.4Confident145 Ų14566.3 Ų66.368%0.67836%0.355SS*.PPolyproline II helixtrans-85.7127.9174-172.5-179.3-169.500110.3
335I92.9Very high90.3Very high10 Ų1065.4 Ų65.45%0.05135%0.35CS..PPolyproline II helixtrans-81.5118.9175.7-60.3172.7000107.6I400 F408 L413 Q416 P497 I498I335-I400 HydrophobicContact CB-CG2 4.46Å; I335-I400 HydrophobicContact CD1-CD1 4.29Å; I335-I400 HydrophobicContact CD1-CG2 3.86Å; I335-I400 HydrophobicContact CG1-CG2 3.86Å; I335-I400 HydrophobicContact CG2-CG2 3.82Å; I335-F408 HydrophobicContact CD1-CE1 4.43Å; I335-F408 HydrophobicContact CG1-CE1 3.93Å; I335-F408 HydrophobicContact CG1-CZ 4.41Å; I335-L413 HydrophobicContact CD1-CD1 4.37Å; I335-Q416 HydrophobicContact CD1-CB 3.76Å; I335-Q416 HydrophobicContact CG1-CB 4.42Å; I335-P497 HydrophobicContact CB-CG 4.07Å; I335-P497 HydrophobicContact CG2-CB 4.44Å; I335-P497 HydrophobicContact CG2-CG 3.95Å; I335-I498 HydrophobicContact CD1-CD1 3.97Å; I335-I498 HydrophobicContact CG2-CD1 4.21Å
336K90.6Very high91Very high166 Ų16661.5 Ų61.572%0.72234%0.336SS*.SBendtrans-102.5-39.6-174.9-64.7-177-179.9179.70112.6D401K336-D401 PolarHBondContact N-OD2 2.9Å
337Q89.8Confident91.6Very high111 Ų11157.9 Ų57.952%0.51932%0.317SS..SBendtrans-108.3-30.8-175.3-64.6-176.2-10.800111.5R339 K366 D401Q337-R339 VanDerWaalsContact C-N 3.28Å; Q337-K366 HydrophobicContact CB-CB 4.27Å; Q337-K366 HydrophobicContact CB-CD 3.93Å; Q337-K366 HydrophobicContact CB-CG 4.44Å; Q337-K366 HydrophobicContact CG-CD 4.2Å; Q337-K366 WeakPolarHBondContact O-CB 3.34Å; Q337-K366 WeakPolarHBondContact O-CG 3.46Å; Q337-D401 WeakPolarHBondContact CB-OD1 3.33Å; Q337-D401 PolarHBondContact N-OD2 3.46Å
338G92.1Very high92.3Very high0 Ų057.9 Ų57.90%031%0.307CS..  trans72.122.7-177.100000113D401 T528G338-D401 PolarHBondContact N-OD1 2.96Å; G338-D401 PolarHBondContact N-OD2 3.26Å; G338-T528 WeakPolarHBondContact O-CB 3.39Å; G338-T528 VanDerWaalsContact O-CG2 3.32Å; G338-T528 WeakPolarHBondContact O-CG2 3.47Å; G338-T528 PolarHBondContact O-OG1 3.38Å
339R96.2Very high92.7Very high76 Ų7652.8 Ų52.829%0.28727%0.27SS..  trans-71.4135172.1174.3-176.8167.3121.26.5108.8Q337 D341 I364 E365 I400 D401Q337-R339 VanDerWaalsContact C-N 3.28Å; R339-D341 IonicContact CZ-OD1 2.63Å; R339-D341 IonicContact CZ-OD2 3.3Å; R339-D341 IonicContact NE-OD1 3Å; R339-D341 IonicContact NE-OD2 3.6Å; R339-D341 PolarHBondContact NE-OD2 3.49Å; R339-D341 IonicContact NH2-OD1 3.71Å; R339-D341 PolarHBondContact NH2-OD1 3.35Å; R339-D341 IonicContact NH2-OD2 2.72Å; R339-D341 PolarHBondContact NH2-OD2 3.33Å; R339-I364 WeakPolarHBondContact CA-O 3.45Å; R339-I364 WeakPolarHBondContact CG-O 3.4Å; R339-E365 IonicContact CZ-OE1 2.95Å; R339-E365 IonicContact CZ-OE2 2.72Å; R339-E365 IonicContact NH1-OE1 3.61Å; R339-E365 PolarHBondContact NH1-OE1 3.26Å; R339-E365 VanDerWaalsContact NH1-OE1 3.09Å; R339-E365 IonicContact NH1-OE2 3.49Å; R339-E365 PolarHBondContact NH1-OE2 3.42Å; R339-E365 IonicContact NH2-OE1 3.5Å; R339-I400 CarbonylContact O-C 3.51Å; R339-I400 VanDerWaalsContact O-CA 3.26Å; R339-I400 WeakPolarHBondContact O-CA 3.37Å; R339-D401 PolarHBondContact N-OD1 3.46Å; R339-D401 PolarHBondContact O-N 3.35Å
340I97.5Very high92.9Very high0 Ų052.1 Ų52.10%025%0.253CS..EExtended strand (participates in β ladder)trans-122.1124-179.9-50177.9000109.2I342 I364 I387 I398 L399 I400 I498 T528 L530I340-I342 HydrophobicContact CG2-CG1 4.25Å; I340-I364 HydrophobicContact CB-CB 4.17Å; I340-I364 HydrophobicContact CB-CD1 4.43Å; I340-I364 PolarHBondContact N-O 2.96Å; I340-I364 PolarHBondContact O-N 3.47Å; I340-I387 HydrophobicContact CD1-CG2 4.25Å; I340-I398 HydrophobicContact CG2-CG2 4.07Å; I340-L399 CarbonylContact C-O 3.58Å; I340-L399 WeakPolarHBondContact CA-O 3.39Å; I340-I400 HydrophobicContact CG1-CG1 4.38Å; I340-I498 HydrophobicContact CD1-CD1 4.07Å; I340-I498 HydrophobicContact CD1-CG2 3.98Å; I340-I498 HydrophobicContact CG1-CD1 4.16Å; I340-T528 HydrophobicContact CD1-CG2 4.32Å; I340-L530 HydrophobicContact CD1-CD1 3.7Å; I340-L530 HydrophobicContact CD1-CD2 4.31Å
341D97.7Very high92.6Very high21 Ų2158.1 Ų58.111%0.11228%0.283CS..EExtended strand (participates in β ladder)trans-115.9119.1172.9-61.9-75.2000109.2R339 S363 I398 L399R339-D341 IonicContact CZ-OD1 2.63Å; R339-D341 IonicContact CZ-OD2 3.3Å; R339-D341 IonicContact NE-OD1 3Å; R339-D341 IonicContact NE-OD2 3.6Å; R339-D341 PolarHBondContact NE-OD2 3.49Å; R339-D341 IonicContact NH2-OD1 3.71Å; R339-D341 PolarHBondContact NH2-OD1 3.35Å; R339-D341 IonicContact NH2-OD2 2.72Å; R339-D341 PolarHBondContact NH2-OD2 3.33Å; D341-S363 VanDerWaalsContact OD1-CB 3.3Å; D341-S363 WeakPolarHBondContact OD1-CB 3.42Å; D341-S363 PolarHBondContact OD1-OG 3.45Å; D341-I398 CarbonylContact O-C 3.56Å; D341-I398 WeakPolarHBondContact O-CA 2.88Å; D341-L399 HydrophobicContact CB-CB 4.23Å; D341-L399 HydrophobicContact CB-CD1 4.34Å; D341-L399 PolarHBondContact N-O 3.21Å; D341-L399 PolarHBondContact O-N 3.26Å
342I97.4Very high92.4Very high4 Ų460.7 Ų60.72%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-101.2113.4174.9-53.6-175.2000106.6I340 V345 I360 N361 L362 L383 I398I340-I342 HydrophobicContact CG2-CG1 4.25Å; I342-V345 HydrophobicContact CG2-CB 3.67Å; I342-V345 HydrophobicContact CG2-CG1 4.46Å; I342-V345 HydrophobicContact CG2-CG2 3.51Å; I342-I360 HydrophobicContact CG2-CB 4.41Å; I342-I360 HydrophobicContact CG2-CG2 3.96Å; I342-N361 CarbonylContact O-C 3.02Å; I342-N361 VanDerWaalsContact O-CA 3.32Å; I342-N361 WeakPolarHBondContact O-CA 3.36Å; I342-L362 HydrophobicContact CB-CB 4.24Å; I342-L362 WeakPolarHBondContact CB-O 3.28Å; I342-L362 HydrophobicContact CD1-CB 4.45Å; I342-L362 HydrophobicContact CD1-CD2 4.4Å; I342-L362 PolarHBondContact N-O 3.41Å; I342-L362 PolarHBondContact O-N 3.45Å; I342-L383 HydrophobicContact CD1-CD1 3.88Å; I342-L383 HydrophobicContact CD1-CD2 4.49Å; I342-L383 HydrophobicContact CD1-CG 4.35Å; I342-I398 HydrophobicContact CG2-CG1 4.49Å
343D97Very high92.2Very high56 Ų5661 Ų6130%0.29929%0.294SS..EExtended strand (participates in β ladder)trans-119.7109.2-168.8177.129.4000110.4V345 G396 Q397D343-V345 VanDerWaalsContact C-N 3.25Å; D343-V345 PolarHBondContact O-N 3.38Å; D343-V345 VanDerWaalsContact O-N 3.16Å; D343-G396 CarbonylContact O-C 3.52Å; D343-G396 WeakPolarHBondContact O-CA 3.45Å; D343-Q397 HydrophobicContact CB-CG 3.9Å; D343-Q397 PolarHBondContact N-O 2.64Å; D343-Q397 PolarHBondContact O-N 3.06Å; D343-Q397 PolarHBondContact OD2-NE2 2.7Å
344H96.9Very high92.1Very high95 Ų9563 Ų6344%0.4432%0.316SS..EExtended strand (participates in β ladder)trans47.641.4179.4-69.9-74.1000114.6S346 D359 I360 N361 G396H344-S346 PolarHBondContact O-N 3.02Å; H344-D359 WeakPolarHBondContact CA-OD1 3.46Å; H344-D359 VanDerWaalsContact CB-OD1 3.29Å; H344-D359 WeakPolarHBondContact CB-OD1 3.28Å; H344-D359 IonicContact CE1-OD1 3.46Å; H344-D359 IonicContact CE1-OD2 2.77Å; H344-D359 IonicContact CG-OD1 3.29Å; H344-D359 IonicContact ND1-OD1 3.81Å; H344-D359 PolarHBondContact ND1-OD1 3.04Å; H344-D359 IonicContact ND1-OD2 2.7Å; H344-D359 PolarHBondContact ND1-OD2 2.93Å; H344-I360 PolarHBondContact N-O 3.06Å; H344-N361 PolarHBondContact CE1-ND2 3.01Å; H344-N361 PolarHBondContact N-OD1 2.98Å; H344-N361 PolarHBondContact ND1-ND2 3.18Å; H344-N361 VanDerWaalsContact ND1-ND2 3.14Å; H344-G396 VanDerWaalsContact O-CA 3.26Å; H344-G396 WeakPolarHBondContact O-CA 3.45Å; H344-G396 PolarHBondContact O-N 3.09Å
345V97.1Very high92Very high0 Ų058.7 Ų58.70%030%0.301CS..EExtended strand (participates in β ladder)trans-78.2122.7-172.6169.20000111.8I342 D343 D359 I360 L386 V393 S395 Q397 I398I342-V345 HydrophobicContact CG2-CB 3.67Å; I342-V345 HydrophobicContact CG2-CG1 4.46Å; I342-V345 HydrophobicContact CG2-CG2 3.51Å; D343-V345 VanDerWaalsContact C-N 3.25Å; D343-V345 PolarHBondContact O-N 3.38Å; D343-V345 VanDerWaalsContact O-N 3.16Å; V345-D359 PolarHBondContact O-N 3.22Å; V345-I360 HydrophobicContact CB-CB 4.43Å; V345-I360 PolarHBondContact N-O 2.93Å; V345-I360 PolarHBondContact O-N 3.1Å; V345-L386 HydrophobicContact CG1-CD1 4.15Å; V345-V393 HydrophobicContact CG1-CB 4.16Å; V345-V393 HydrophobicContact CG1-CG1 3.61Å; V345-V393 HydrophobicContact CG2-CG1 4.22Å; V345-S395 WeakPolarHBondContact CA-O 3.34Å; V345-Q397 VanDerWaalsContact CG2-O 3.28Å; V345-Q397 WeakPolarHBondContact CG2-O 3.49Å; V345-I398 HydrophobicContact CG2-CG1 3.89Å
346S96.1Very high92Very high22 Ų2260.5 Ų60.515%0.15431%0.31CS..EExtended strand (participates in β ladder)trans-120.2149.2166.1-53.80000110.8H344 L357 D359 T394 S395H344-S346 PolarHBondContact O-N 3.02Å; S346-L357 CarbonylContact C-O 3.58Å; S346-L357 VanDerWaalsContact CA-O 3.23Å; S346-L357 WeakPolarHBondContact CA-O 3.41Å; S346-L357 WeakPolarHBondContact CB-O 3.26Å; S346-D359 PolarHBondContact OG-N 3.02Å; S346-T394 WeakPolarHBondContact O-CA 3.39Å; S346-T394 WeakPolarHBondContact O-CB 3.08Å; S346-T394 PolarHBondContact O-N 2.84Å; S346-S395 VanDerWaalsContact CB-OG 3.29Å; S346-S395 WeakPolarHBondContact CB-OG 3.38Å; S346-S395 PolarHBondContact N-O 3.16Å; S346-S395 PolarHBondContact O-N 2.82Å; S346-S395 PolarHBondContact OG-OG 3.25Å
347F94.8Very high92.3Very high1 Ų152.6 Ų52.60%0.00428%0.275CS..EExtended strand (participates in β ladder)trans-148.5139.3-177.7-179.9-100.5000113.6Y349 P355 I356 L357 T382 L386 Y391 D392 T394F347-Y349 AromaticContact CE1-CD1 3.68Å; F347-Y349 HydrophobicContact CE1-CD1 3.68Å; F347-Y349 HydrophobicContact CE1-CD2 4.19Å; F347-Y349 AromaticContact CE1-CE1 3.7Å; F347-Y349 HydrophobicContact CE1-CE1 3.7Å; F347-Y349 HydrophobicContact CE1-CE2 4.2Å; F347-Y349 AromaticContact CE1-CG 3.9Å; F347-Y349 HydrophobicContact CE1-CG 3.9Å; F347-Y349 AromaticContact CE1-CZ 3.95Å; F347-Y349 AromaticContact CZ-CD1 3.75Å; F347-Y349 HydrophobicContact CZ-CD1 3.75Å; F347-Y349 AromaticContact CZ-CE1 3.98Å; F347-Y349 HydrophobicContact CZ-CE1 3.98Å; F347-Y349 HydrophobicContact CZ-CG 4.26Å; F347-P355 CarbonylContact O-C 3.56Å; F347-P355 WeakPolarHBondContact O-CA 3.15Å; F347-I356 PolarHBondContact O-N 3.37Å; F347-L357 HydrophobicContact CB-CB 4.19Å; F347-L357 HydrophobicContact CB-CD1 4.25Å; F347-L357 PolarHBondContact N-O 3.46Å; F347-L357 PolarHBondContact O-N 2.98Å; F347-T382 HydrophobicContact CD1-CG2 3.32Å; F347-T382 HydrophobicContact CE1-CG2 3.62Å; F347-T382 HydrophobicContact CG-CG2 4.35Å; F347-L386 HydrophobicContact CB-CD1 4.03Å; F347-L386 HydrophobicContact CD2-CD2 3.64Å; F347-L386 HydrophobicContact CE2-CD2 3.9Å; F347-L386 HydrophobicContact CG-CD1 4.22Å; F347-L386 HydrophobicContact CG-CD2 3.97Å; F347-L386 HydrophobicContact CZ-CD2 4.43Å; F347-Y391 HydrophobicContact CE2-CG 4.27Å; F347-Y391 AromaticContact CZ-CD1 3.99Å; F347-Y391 HydrophobicContact CZ-CD1 3.99Å; F347-Y391 AromaticContact CZ-CG 3.8Å; F347-Y391 HydrophobicContact CZ-CG 3.8Å; F347-D392 WeakPolarHBondContact CD2-O 3.37Å; F347-D392 WeakPolarHBondContact CE2-O 3.47Å; F347-T394 WeakPolarHBondContact CA-OG1 3.35Å
348Q91Very high92.6Very high40 Ų4051 Ų5119%0.18727%0.267CS..  trans-133.5144.3168.570-166.417.900110.4D351 T394Q348-D351 PolarHBondContact NE2-OD1 3.25Å; Q348-T394 HydrophobicContact CG-CG2 4.45Å; Q348-T394 PolarHBondContact N-OG1 3.32Å; Q348-T394 VanDerWaalsContact N-OG1 3.15Å
349Y87.2Confident92.7Very high57 Ų5755 Ų5522%0.22429%0.288CS..SBendtrans-72.3-40.1179.3-78.1-70.3000112.4R110 F347 I356 T382 Y391R110-Y349 PolarHBondContact NE-O 3.01Å; R110-Y349 PolarHBondContact NH2-O 3.02Å; F347-Y349 AromaticContact CE1-CD1 3.68Å; F347-Y349 HydrophobicContact CE1-CD1 3.68Å; F347-Y349 HydrophobicContact CE1-CD2 4.19Å; F347-Y349 AromaticContact CE1-CE1 3.7Å; F347-Y349 HydrophobicContact CE1-CE1 3.7Å; F347-Y349 HydrophobicContact CE1-CE2 4.2Å; F347-Y349 AromaticContact CE1-CG 3.9Å; F347-Y349 HydrophobicContact CE1-CG 3.9Å; F347-Y349 AromaticContact CE1-CZ 3.95Å; F347-Y349 AromaticContact CZ-CD1 3.75Å; F347-Y349 HydrophobicContact CZ-CD1 3.75Å; F347-Y349 AromaticContact CZ-CE1 3.98Å; F347-Y349 HydrophobicContact CZ-CE1 3.98Å; F347-Y349 HydrophobicContact CZ-CG 4.26Å; Y349-I356 HydrophobicContact CD2-CD1 3.23Å; Y349-I356 HydrophobicContact CE2-CD1 3.24Å; Y349-I356 HydrophobicContact CG-CD1 4.47Å; Y349-T382 HydrophobicContact CE2-CG2 4.41Å; Y349-T382 PolarHBondContact OH-OG1 3.21Å; Y349-Y391 HydrophobicContact CD1-CD1 4.19Å; Y349-Y391 AromaticContact CD1-CE1 3.82Å; Y349-Y391 HydrophobicContact CD1-CE1 3.82Å; Y349-Y391 HydrophobicContact CE1-CD1 4.23Å; Y349-Y391 HydrophobicContact CE1-CD2 4.32Å; Y349-Y391 AromaticContact CE1-CE1 3.79Å; Y349-Y391 HydrophobicContact CE1-CE1 3.79Å; Y349-Y391 AromaticContact CE1-CE2 3.92Å; Y349-Y391 HydrophobicContact CE1-CE2 3.92Å; Y349-Y391 HydrophobicContact CE1-CG 4.47Å; Y349-Y391 AromaticContact CE1-CZ 3.63Å
350N84.8Confident92.7Very high43 Ų4351.5 Ų51.523%0.2328%0.275CS..SBendtrans-133.5152.4179.1-62.5-53.4000110.1N352 E353N350-N352 PolarHBondContact O-N 3.03Å; N350-N352 VanDerWaalsContact O-N 3.11Å; N350-E353 HydrophobicContact CB-CG 4.1Å; N350-E353 PolarHBondContact ND2-OE1 3.3Å; N350-E353 PolarHBondContact O-N 3.42Å
351D81.9Confident92.6Very high141 Ų14154.9 Ų54.975%0.75429%0.293SS*.THydrogen-bonded Turntrans-63.4-20.5-177.4-65-28.9000114.4Q348Q348-D351 PolarHBondContact NE2-OD1 3.25Å
352N84.3Confident92.6Very high166 Ų16654.5 Ų54.589%0.88829%0.291SS*.THydrogen-bonded Turntrans-94.93.7-179.9-58.6-27.3000112.9N350N350-N352 PolarHBondContact O-N 3.03Å; N350-N352 VanDerWaalsContact O-N 3.11Å
353E86.5Confident92.6Very high93 Ų9356.9 Ų56.944%0.43531%0.308SS..SBendtrans-108.6157.6-178-70.8173-16500111.4N350N350-E353 HydrophobicContact CB-CG 4.1Å; N350-E353 PolarHBondContact ND2-OE1 3.3Å; N350-E353 PolarHBondContact O-N 3.42Å
354A89.5Confident92.5Very high76 Ų7654.2 Ų54.263%0.62829%0.294SS*.  trans-70.6148.9174.800000111.1I356A354-I356 PolarHBondContact O-N 2.94Å
355P91.2Very high92.5Very high55 Ų5553.8 Ų53.836%0.35729%0.292SS..  trans-64.3130.7175.525.8-33.5000111F347 K358F347-P355 CarbonylContact O-C 3.56Å; F347-P355 WeakPolarHBondContact O-CA 3.15Å; P355-K358 HydrophobicContact CB-CG 4.15Å; P355-K358 HydrophobicContact CG-CG 4.11Å; P355-K358 WeakPolarHBondContact O-CE 3.4Å
356I93.3Very high92.3Very high47 Ų4760.1 Ų60.124%0.24132%0.32CS..SBendtrans-84.9-35.8177.3-66.5175.2000110.5F347 Y349 A354 T382 G551F347-I356 PolarHBondContact O-N 3.37Å; Y349-I356 HydrophobicContact CD2-CD1 3.23Å; Y349-I356 HydrophobicContact CE2-CD1 3.24Å; Y349-I356 HydrophobicContact CG-CD1 4.47Å; A354-I356 PolarHBondContact O-N 2.94Å; I356-T382 HydrophobicContact CG2-CG2 4.15Å; I356-G551 WeakPolarHBondContact O-CA 3.48Å
357L95.5Very high92.2Very high0 Ų060.5 Ų60.50%033%0.326CS..EExtended strand (participates in β ladder)trans-116135.2173.3-61.8174000108.7S346 F347 I360 T382 L383 L386S346-L357 CarbonylContact C-O 3.58Å; S346-L357 VanDerWaalsContact CA-O 3.23Å; S346-L357 WeakPolarHBondContact CA-O 3.41Å; S346-L357 WeakPolarHBondContact CB-O 3.26Å; F347-L357 HydrophobicContact CB-CB 4.19Å; F347-L357 HydrophobicContact CB-CD1 4.25Å; F347-L357 PolarHBondContact N-O 3.46Å; F347-L357 PolarHBondContact O-N 2.98Å; L357-I360 HydrophobicContact CB-CG1 4.04Å; L357-I360 HydrophobicContact CD2-CG1 4.23Å; L357-T382 HydrophobicContact CD1-CG2 3.98Å; L357-T382 HydrophobicContact CG-CG2 4.27Å; L357-L383 HydrophobicContact CD1-CB 3.98Å; L357-L383 HydrophobicContact CD1-CD1 3.96Å; L357-L383 HydrophobicContact CD2-CB 4.44Å; L357-L386 HydrophobicContact CD1-CD1 3.57Å
358K95.6Very high92.2Very high78 Ų7861.6 Ų61.634%0.33933%0.332SS..EExtended strand (participates in β ladder)trans-132.5108.3-172.3-65.2165.2-174.8163.40108.9P355 I360 N550 G551 H552P355-K358 HydrophobicContact CB-CG 4.15Å; P355-K358 HydrophobicContact CG-CG 4.11Å; P355-K358 WeakPolarHBondContact O-CE 3.4Å; K358-I360 VanDerWaalsContact C-N 3.33Å; K358-I360 PolarHBondContact O-N 3.4Å; K358-N550 PolarHBondContact NZ-O 3.34Å; K358-G551 PolarHBondContact N-O 2.8Å; K358-H552 WeakPolarHBondContact CB-NE2 3.31Å; K358-H552 WeakPolarHBondContact CD-CE1 3.36Å; K358-H552 PolarHBondContact O-CD2 3.49Å
359D94.9Very high92.3Very high85 Ų8561 Ų6146%0.45533%0.33SS..EExtended strand (participates in β ladder)trans50.946.7173.1-160.441.4000114.7H344 V345 S346 N361H344-D359 WeakPolarHBondContact CA-OD1 3.46Å; H344-D359 VanDerWaalsContact CB-OD1 3.29Å; H344-D359 WeakPolarHBondContact CB-OD1 3.28Å; H344-D359 IonicContact CE1-OD1 3.46Å; H344-D359 IonicContact CE1-OD2 2.77Å; H344-D359 IonicContact CG-OD1 3.29Å; H344-D359 IonicContact ND1-OD1 3.81Å; H344-D359 PolarHBondContact ND1-OD1 3.04Å; H344-D359 IonicContact ND1-OD2 2.7Å; H344-D359 PolarHBondContact ND1-OD2 2.93Å; V345-D359 PolarHBondContact O-N 3.22Å; S346-D359 PolarHBondContact OG-N 3.02Å; D359-N361 PolarHBondContact O-N 2.96Å; D359-N361 PolarHBondContact O-ND2 3.32Å
360I96.4Very high92.7Very high2 Ų258.2 Ų58.21%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-71.6126.6-179.2-58.8-58.8000110.3I342 H344 V345 L357 K358 L383 G551 I553I342-I360 HydrophobicContact CG2-CB 4.41Å; I342-I360 HydrophobicContact CG2-CG2 3.96Å; H344-I360 PolarHBondContact N-O 3.06Å; V345-I360 HydrophobicContact CB-CB 4.43Å; V345-I360 PolarHBondContact N-O 2.93Å; V345-I360 PolarHBondContact O-N 3.1Å; L357-I360 HydrophobicContact CB-CG1 4.04Å; L357-I360 HydrophobicContact CD2-CG1 4.23Å; K358-I360 VanDerWaalsContact C-N 3.33Å; K358-I360 PolarHBondContact O-N 3.4Å; I360-L383 HydrophobicContact CG2-CD1 4.25Å; I360-G551 WeakPolarHBondContact CD1-O 3.3Å; I360-I553 HydrophobicContact CD1-CG1 4.22Å; I360-I553 HydrophobicContact CG2-CD1 3.72Å; I360-I553 HydrophobicContact CG2-CG1 4.3Å
361N96.4Very high93.1Very high70 Ų7056.2 Ų56.237%0.37431%0.309SS..EExtended strand (participates in β ladder)trans-123.9121.1173.5-73.9-78.2000109.9I342 H344 D359 I553I342-N361 CarbonylContact O-C 3.02Å; I342-N361 VanDerWaalsContact O-CA 3.32Å; I342-N361 WeakPolarHBondContact O-CA 3.36Å; H344-N361 PolarHBondContact CE1-ND2 3.01Å; H344-N361 PolarHBondContact N-OD1 2.98Å; H344-N361 PolarHBondContact ND1-ND2 3.18Å; H344-N361 VanDerWaalsContact ND1-ND2 3.14Å; D359-N361 PolarHBondContact O-N 2.96Å; D359-N361 PolarHBondContact O-ND2 3.32Å; N361-I553 WeakPolarHBondContact O-CD1 3.19Å
362L96.4Very high93.6Very high13 Ų1349.5 Ų49.57%0.06827%0.273CS..EExtended strand (participates in β ladder)trans-157127.7-179179.665.5000111.3I342 I364 F372 K544 V546 I553I342-L362 HydrophobicContact CB-CB 4.24Å; I342-L362 WeakPolarHBondContact CB-O 3.28Å; I342-L362 HydrophobicContact CD1-CB 4.45Å; I342-L362 HydrophobicContact CD1-CD2 4.4Å; I342-L362 PolarHBondContact N-O 3.41Å; I342-L362 PolarHBondContact O-N 3.45Å; L362-I364 HydrophobicContact CD2-CD1 4.15Å; L362-I364 HydrophobicContact CD2-CG1 4.15Å; L362-I364 HydrophobicContact CG-CG1 4.11Å; L362-F372 HydrophobicContact CD2-CE1 3.57Å; L362-F372 HydrophobicContact CD2-CZ 3.72Å; L362-K544 HydrophobicContact CD1-CD 4.33Å; L362-V546 HydrophobicContact CD1-CG2 3.77Å; L362-V546 HydrophobicContact CD2-CG2 4.06Å; L362-I553 HydrophobicContact CB-CD1 3.96Å
363S96.8Very high93.9Very high54 Ų5441.9 Ų41.938%0.37823%0.233SC..EExtended strand (participates in β ladder)trans-106.7131.2169-68.20000110.6D341 K544D341-S363 VanDerWaalsContact OD1-CB 3.3Å; D341-S363 WeakPolarHBondContact OD1-CB 3.42Å; D341-S363 PolarHBondContact OD1-OG 3.45Å; S363-K544 PolarHBondContact O-NZ 2.86Å
364I96.7Very high94Very high0 Ų038 Ų380%022%0.217CC..EExtended strand (participates in β ladder)trans-117.9117.4178-53.1-179000107.7R339 I340 L362 E368 V370 F372 T528 L530R339-I364 WeakPolarHBondContact CA-O 3.45Å; R339-I364 WeakPolarHBondContact CG-O 3.4Å; I340-I364 HydrophobicContact CB-CB 4.17Å; I340-I364 HydrophobicContact CB-CD1 4.43Å; I340-I364 PolarHBondContact N-O 2.96Å; I340-I364 PolarHBondContact O-N 3.47Å; L362-I364 HydrophobicContact CD2-CD1 4.15Å; L362-I364 HydrophobicContact CD2-CG1 4.15Å; L362-I364 HydrophobicContact CG-CG1 4.11Å; I364-E368 WeakPolarHBondContact CA-OE2 3.26Å; I364-E368 HydrophobicContact CG2-CB 4.19Å; I364-V370 HydrophobicContact CB-CG2 4.26Å; I364-V370 HydrophobicContact CD1-CB 4.38Å; I364-V370 HydrophobicContact CD1-CG2 4.17Å; I364-V370 HydrophobicContact CG1-CG2 4Å; I364-V370 HydrophobicContact CG2-CG2 3.54Å; I364-F372 HydrophobicContact CD1-CZ 4.43Å; I364-T528 HydrophobicContact CG2-CG2 3.51Å; I364-L530 HydrophobicContact CD1-CD2 3.57Å; I364-L530 HydrophobicContact CD1-CG 4Å
365E96Very high93.8Very high86 Ų8640.5 Ų40.540%0.40222%0.218SC..  trans-78.4162.9-177.6-64.8-60.7156.700111.8R339 G367 E368R339-E365 IonicContact CZ-OE1 2.95Å; R339-E365 IonicContact CZ-OE2 2.72Å; R339-E365 IonicContact NH1-OE1 3.61Å; R339-E365 PolarHBondContact NH1-OE1 3.26Å; R339-E365 VanDerWaalsContact NH1-OE1 3.09Å; R339-E365 IonicContact NH1-OE2 3.49Å; R339-E365 PolarHBondContact NH1-OE2 3.42Å; R339-E365 IonicContact NH2-OE1 3.5Å; E365-G367 PolarHBondContact O-N 3.06Å; E365-E368 HydrophobicContact CB-CB 4.37Å; E365-E368 PolarHBondContact N-OE2 3.26Å; E365-E368 WeakPolarHBondContact O-CB 3.43Å; E365-E368 PolarHBondContact O-N 3.24Å; E365-E368 VanDerWaalsContact O-N 3.16Å
366K94Very high93.5Very high134 Ų13443.2 Ų43.258%0.58324%0.238SC*.THydrogen-bonded Turntrans-56128.5177.2163.3173.4-175-173.80110.8Q337 E368Q337-K366 HydrophobicContact CB-CB 4.27Å; Q337-K366 HydrophobicContact CB-CD 3.93Å; Q337-K366 HydrophobicContact CB-CG 4.44Å; Q337-K366 HydrophobicContact CG-CD 4.2Å; Q337-K366 WeakPolarHBondContact O-CB 3.34Å; Q337-K366 WeakPolarHBondContact O-CG 3.46Å; K366-E368 PolarHBondContact O-N 3.12Å
367G92.3Very high93Very high29 Ų2944.4 Ų44.430%0.29926%0.261SS..THydrogen-bonded Turntrans744.5174.900000113.9E365 R527 T528E365-G367 PolarHBondContact O-N 3.06Å; G367-R527 CarbonylContact C-O 3.58Å; G367-T528 PolarHBondContact N-OG1 2.94Å
368E94.6Very high92.6Very high25 Ų2544.7 Ų44.712%0.11726%0.264CS..  trans-76.1136.7179.5-169.3179-158.500110.5I364 E365 K366 V370 T529 D543 K544I364-E368 WeakPolarHBondContact CA-OE2 3.26Å; I364-E368 HydrophobicContact CG2-CB 4.19Å; E365-E368 HydrophobicContact CB-CB 4.37Å; E365-E368 PolarHBondContact N-OE2 3.26Å; E365-E368 WeakPolarHBondContact O-CB 3.43Å; E365-E368 PolarHBondContact O-N 3.24Å; E365-E368 VanDerWaalsContact O-N 3.16Å; K366-E368 PolarHBondContact O-N 3.12Å; E368-V370 HydrophobicContact CB-CG2 4.49Å; E368-V370 HydrophobicContact CG-CG2 3.91Å; E368-T529 PolarHBondContact O-N 3.1Å; E368-D543 HydrophobicContact CG-CB 3.8Å; E368-K544 VanDerWaalsContact OE1-CB 3.3Å; E368-K544 WeakPolarHBondContact OE1-CB 3.44Å; E368-K544 WeakPolarHBondContact OE1-CE 3.43Å; E368-K544 IonicContact OE1-NZ 3.41Å; E368-K544 PolarHBondContact OE1-NZ 3.18Å; E368-K544 IonicContact OE2-NZ 3.97Å; E368-K544 PolarHBondContact OE2-NZ 3.26Å
369T94.1Very high92.4Very high26 Ų2641.1 Ų41.116%0.1625%0.25CS..EExtended strand (participates in β ladder)trans-95.9113.1170.1-59.50000110T529 I531 A542 D543 K544T369-T529 CarbonylContact C-O 3.58Å; T369-T529 WeakPolarHBondContact CA-O 2.9Å; T369-T529 HydrophobicContact CG2-CG2 4.43Å; T369-I531 HydrophobicContact CG2-CD1 3.66Å; T369-I531 HydrophobicContact CG2-CG1 4.28Å; T369-A542 HydrophobicContact CG2-CB 4.36Å; T369-D543 PolarHBondContact N-OD2 2.95Å; T369-D543 PolarHBondContact O-N 3.43Å; T369-K544 PolarHBondContact O-N 3.3Å
370V94.9Very high92.2Very high0 Ų037.5 Ų37.50%023%0.23CC..EExtended strand (participates in β ladder)trans-112.1121.3-177.4-174.60000110.9I364 E368 F372 T529 L530 I531 K544 V546I364-V370 HydrophobicContact CB-CG2 4.26Å; I364-V370 HydrophobicContact CD1-CB 4.38Å; I364-V370 HydrophobicContact CD1-CG2 4.17Å; I364-V370 HydrophobicContact CG1-CG2 4Å; I364-V370 HydrophobicContact CG2-CG2 3.54Å; E368-V370 HydrophobicContact CB-CG2 4.49Å; E368-V370 HydrophobicContact CG-CG2 3.91Å; V370-F372 HydrophobicContact CG1-CE2 4.24Å; V370-F372 HydrophobicContact CG1-CZ 4.09Å; V370-T529 PolarHBondContact N-O 3.43Å; V370-L530 WeakPolarHBondContact O-CA 3.34Å; V370-I531 PolarHBondContact O-N 3.49Å; V370-K544 CarbonylContact C-O 3.58Å; V370-K544 VanDerWaalsContact CA-O 3.28Å; V370-K544 WeakPolarHBondContact CA-O 3.39Å; V370-K544 HydrophobicContact CG1-CD 4.47Å; V370-K544 HydrophobicContact CG1-CG 4.5Å; V370-K544 HydrophobicContact CG2-CB 4.26Å; V370-K544 HydrophobicContact CG2-CD 4.4Å; V370-V546 HydrophobicContact CG1-CG2 3.72Å
371A93.4Very high91.9Very high0 Ų039.3 Ų39.30%024%0.243CC..EExtended strand (participates in β ladder)trans-100.2125.9176.500000111.8I531 I539 A542 K544 I545 V546A371-I531 CarbonylContact C-O 3.55Å; A371-I531 WeakPolarHBondContact CA-O 3.28Å; A371-I539 HydrophobicContact CB-CG2 4.26Å; A371-A542 HydrophobicContact CB-CB 3.67Å; A371-K544 PolarHBondContact N-O 3.11Å; A371-I545 HydrophobicContact CB-CG1 4.4Å; A371-I545 CarbonylContact O-C 3.39Å; A371-I545 WeakPolarHBondContact O-CA 3.27Å; A371-V546 PolarHBondContact O-N 2.98Å
372F93.5Very high91.7Very high0 Ų036.7 Ų36.70%023%0.23CC..EExtended strand (participates in β ladder)trans-95.8121.4172.5-61.9-80000110.4L362 I364 V370 K380 L383 I384 L530 I531 V532 V546 I548L362-F372 HydrophobicContact CD2-CE1 3.57Å; L362-F372 HydrophobicContact CD2-CZ 3.72Å; I364-F372 HydrophobicContact CD1-CZ 4.43Å; V370-F372 HydrophobicContact CG1-CE2 4.24Å; V370-F372 HydrophobicContact CG1-CZ 4.09Å; F372-K380 HydrophobicContact CB-CB 4.5Å; F372-L383 HydrophobicContact CD1-CD2 4.03Å; F372-L383 HydrophobicContact CE1-CD2 3.53Å; F372-L383 HydrophobicContact CZ-CD2 4.08Å; F372-I384 HydrophobicContact CD2-CG2 4.21Å; F372-I384 HydrophobicContact CE2-CG2 4.29Å; F372-L530 HydrophobicContact CE2-CB 4.02Å; F372-L530 HydrophobicContact CE2-CD2 3.8Å; F372-L530 HydrophobicContact CE2-CG 4.22Å; F372-L530 HydrophobicContact CZ-CD2 4.15Å; F372-I531 PolarHBondContact N-O 3.29Å; F372-V532 HydrophobicContact CB-CG2 4.32Å; F372-V546 WeakPolarHBondContact CA-O 3.45Å; F372-V546 HydrophobicContact CD1-CB 3.84Å; F372-V546 HydrophobicContact CD1-CG1 4.01Å; F372-V546 HydrophobicContact CE1-CB 4.03Å; F372-V546 HydrophobicContact CE1-CG1 4.09Å; F372-V546 HydrophobicContact CE1-CG2 4.3Å; F372-I548 HydrophobicContact CD1-CD1 3.65Å; F372-I548 HydrophobicContact CD1-CG1 4.38Å; F372-I548 HydrophobicContact CE1-CD1 4.32Å; F372-I548 HydrophobicContact CG-CD1 4.47Å
373V90.2Very high91.6Very high7 Ų736 Ų364%0.04223%0.226CC..EExtended strand (participates in β ladder)trans-128.7157.9-178.2-58.10000110.3I539 I545 V546 V547 I548 Y569V373-I539 HydrophobicContact CG1-CD1 3.5Å; V373-I539 VanDerWaalsContact CG1-CD1 3.5Å; V373-I539 HydrophobicContact CG1-CG1 3.81Å; V373-I539 HydrophobicContact CG1-CG2 3.97Å; V373-I545 HydrophobicContact CG1-CG2 4.26Å; V373-I545 HydrophobicContact CG2-CG2 3.67Å; V373-V546 PolarHBondContact N-O 3.49Å; V373-V547 HydrophobicContact CG2-CB 4.2Å; V373-V547 HydrophobicContact CG2-CG1 4.37Å; V373-V547 HydrophobicContact CG2-CG2 3.72Å; V373-V547 CarbonylContact O-C 3.59Å; V373-V547 WeakPolarHBondContact O-CA 3.39Å; V373-I548 PolarHBondContact O-N 3.2Å; V373-Y569 HydrophobicContact CG2-CD2 4.01Å; V373-Y569 HydrophobicContact CG2-CE2 4.36Å
374G88.8Confident91.4Very high11 Ų1133.5 Ų33.511%0.11321%0.208CC..  trans147.3170.9-177.700000112.3K380G374-K380 PolarHBondContact O-NZ 3.4Å
375M85.2Confident91.2Very high129 Ų12934.7 Ų34.764%0.63522%0.215SC*.SBendtrans-59.6157.5180-58.4-177.286.600112.1G378 K380M375-G378 PolarHBondContact O-N 3.09Å; M375-K380 PolarHBondContact O-NZ 3.02Å
376S83.8Confident91.2Very high112 Ų11230.6 Ų30.678%0.78320%0.196SC*.THydrogen-bonded Turntrans-59.3141.7171.1-172.30000110.1G378S376-G378 PolarHBondContact O-N 3.47Å
377G84.1Confident91.2Very high71 Ų7124.2 Ų24.273%0.73217%0.168SC*.THydrogen-bonded Turntrans75.31.7-174.800000115.5G379G377-G379 PolarHBondContact O-N 3.18Å
378G85.9Confident91.3Very high6 Ų623 Ų236%0.06215%0.154CC..SBendtrans-66.1-14.4178.600000115.5M375 S376 I548 G551M375-G378 PolarHBondContact O-N 3.09Å; S376-G378 PolarHBondContact O-N 3.47Å; G378-I548 WeakPolarHBondContact O-CG2 3.16Å; G378-G551 PolarHBondContact O-N 2.86Å
379G90.9Very high91.2Very high4 Ų422 Ų224%0.04115%0.15CC..SBendtrans1084.5179.700000115.6G377 T382 L383G377-G379 PolarHBondContact O-N 3.18Å; G379-T382 WeakPolarHBondContact O-CB 3.33Å; G379-T382 PolarHBondContact O-N 3.09Å; G379-L383 PolarHBondContact O-N 3.5Å
380K91.7Very high91Very high9 Ų923.1 Ų23.14%0.03915%0.153CC..Hα-helixtrans-55.5-59.7-177.8-51.8-176.5-60-81.40113.3F372 G374 M375 T382 L383 I384 V532 I548F372-K380 HydrophobicContact CB-CB 4.5Å; G374-K380 PolarHBondContact O-NZ 3.4Å; M375-K380 PolarHBondContact O-NZ 3.02Å; K380-T382 PolarHBondContact O-N 3.02Å; K380-L383 WeakPolarHBondContact O-CB 3.31Å; K380-L383 PolarHBondContact O-N 3.45Å; K380-L383 VanDerWaalsContact O-N 3.1Å; K380-I384 PolarHBondContact O-N 3.26Å; K380-V532 HydrophobicContact CB-CG1 3.96Å; K380-V532 HydrophobicContact CB-CG2 4.28Å; K380-V532 HydrophobicContact CD-CG1 4.2Å; K380-I548 HydrophobicContact CG-CB 4.43Å; K380-I548 HydrophobicContact CG-CD1 4.49Å
381S90.1Very high90.8Very high40 Ų4024.5 Ų24.528%0.2816%0.158SC..Hα-helixtrans-64.1-29.7179-49.20000111.9I384 N385 D502S381-I384 VanDerWaalsContact O-CG1 3.22Å; S381-I384 WeakPolarHBondContact O-CG1 3.45Å; S381-N385 WeakPolarHBondContact O-CB 3.41Å; S381-N385 VanDerWaalsContact O-CG 3.26Å; S381-N385 PolarHBondContact O-N 3.49Å; S381-N385 PolarHBondContact O-ND2 3Å; S381-D502 PolarHBondContact OG-OD1 3.27Å
382T91.9Very high90.6Very high14 Ų1426.6 Ų26.69%0.08617%0.169CC..Hα-helixtrans-64.7-46.5172.9-54.20000110.8F347 Y349 I356 L357 G379 K380 N385 L386F347-T382 HydrophobicContact CD1-CG2 3.32Å; F347-T382 HydrophobicContact CE1-CG2 3.62Å; F347-T382 HydrophobicContact CG-CG2 4.35Å; Y349-T382 HydrophobicContact CE2-CG2 4.41Å; Y349-T382 PolarHBondContact OH-OG1 3.21Å; I356-T382 HydrophobicContact CG2-CG2 4.15Å; L357-T382 HydrophobicContact CD1-CG2 3.98Å; L357-T382 HydrophobicContact CG-CG2 4.27Å; G379-T382 WeakPolarHBondContact O-CB 3.33Å; G379-T382 PolarHBondContact O-N 3.09Å; K380-T382 PolarHBondContact O-N 3.02Å; T382-N385 PolarHBondContact O-N 2.77Å; T382-L386 WeakPolarHBondContact O-CG 3.25Å; T382-L386 PolarHBondContact O-N 3.37Å
383L94.6Very high90.6Very high0 Ų027.3 Ų27.30%017%0.173CC..Hα-helixtrans-60-49.3-179.2-177.162.7000112I342 L357 I360 F372 G379 K380 N385 L386 I548I342-L383 HydrophobicContact CD1-CD1 3.88Å; I342-L383 HydrophobicContact CD1-CD2 4.49Å; I342-L383 HydrophobicContact CD1-CG 4.35Å; L357-L383 HydrophobicContact CD1-CB 3.98Å; L357-L383 HydrophobicContact CD1-CD1 3.96Å; L357-L383 HydrophobicContact CD2-CB 4.44Å; I360-L383 HydrophobicContact CG2-CD1 4.25Å; F372-L383 HydrophobicContact CD1-CD2 4.03Å; F372-L383 HydrophobicContact CE1-CD2 3.53Å; F372-L383 HydrophobicContact CZ-CD2 4.08Å; G379-L383 PolarHBondContact O-N 3.5Å; K380-L383 WeakPolarHBondContact O-CB 3.31Å; K380-L383 PolarHBondContact O-N 3.45Å; K380-L383 VanDerWaalsContact O-N 3.1Å; L383-N385 VanDerWaalsContact C-N 3.27Å; L383-N385 PolarHBondContact O-N 2.83Å; L383-L386 WeakPolarHBondContact O-CB 3.24Å; L383-L386 PolarHBondContact O-N 3.07Å; L383-I548 HydrophobicContact CD2-CD1 3.7Å
384I93.5Very high90.7Very high0 Ų030.6 Ų30.60%019%0.194CC..Hα-helixtrans-64.8-30.5-18058.6162.9000112.8F372 K380 S381 L386 I387 P388 I500 D502 V532F372-I384 HydrophobicContact CD2-CG2 4.21Å; F372-I384 HydrophobicContact CE2-CG2 4.29Å; K380-I384 PolarHBondContact O-N 3.26Å; S381-I384 VanDerWaalsContact O-CG1 3.22Å; S381-I384 WeakPolarHBondContact O-CG1 3.45Å; I384-L386 VanDerWaalsContact C-N 3.26Å; I384-L386 PolarHBondContact O-N 2.96Å; I384-I387 PolarHBondContact O-N 3.35Å; I384-P388 WeakPolarHBondContact O-CD 3.2Å; I384-I500 HydrophobicContact CB-CG2 3.75Å; I384-I500 HydrophobicContact CD1-CG2 3.77Å; I384-I500 HydrophobicContact CG1-CG2 4.28Å; I384-I500 HydrophobicContact CG2-CG2 4.2Å; I384-D502 HydrophobicContact CD1-CB 3.55Å; I384-D502 VanDerWaalsContact CD1-CG 3.42Å; I384-V532 HydrophobicContact CD1-CG2 3.7Å; I384-V532 HydrophobicContact CG1-CG2 4.21Å; I384-V532 HydrophobicContact CG2-CG2 3.8Å
385N92.5Very high91Very high25 Ų2532.8 Ų32.813%0.13421%0.207CC..Hα-helixtrans-73.8-15.1178.7-80-43.8000113.4S381 T382 L383 F390 Y391S381-N385 WeakPolarHBondContact O-CB 3.41Å; S381-N385 VanDerWaalsContact O-CG 3.26Å; S381-N385 PolarHBondContact O-N 3.49Å; S381-N385 PolarHBondContact O-ND2 3Å; T382-N385 PolarHBondContact O-N 2.77Å; L383-N385 VanDerWaalsContact C-N 3.27Å; L383-N385 PolarHBondContact O-N 2.83Å; N385-F390 HydrophobicContact CB-CD2 4.36Å; N385-F390 WeakPolarHBondContact O-CB 3.42Å; N385-F390 PolarHBondContact O-N 3.2Å; N385-F390 VanDerWaalsContact O-N 3.17Å; N385-F390 WeakPolarHBondContact OD1-CD2 3.28Å; N385-Y391 HydrophobicContact CB-CD2 4.36Å; N385-Y391 HydrophobicContact CB-CE2 4.47Å
386L94.2Very high91.5Very high0 Ų028.3 Ų28.30%019%0.194CC..Hα-helixtrans-76.7-27.6174.3-63.7168.5000112.3V345 F347 L357 T382 L383 I384 R389 V393 I398 I405V345-L386 HydrophobicContact CG1-CD1 4.15Å; F347-L386 HydrophobicContact CB-CD1 4.03Å; F347-L386 HydrophobicContact CD2-CD2 3.64Å; F347-L386 HydrophobicContact CE2-CD2 3.9Å; F347-L386 HydrophobicContact CG-CD1 4.22Å; F347-L386 HydrophobicContact CG-CD2 3.97Å; F347-L386 HydrophobicContact CZ-CD2 4.43Å; L357-L386 HydrophobicContact CD1-CD1 3.57Å; T382-L386 WeakPolarHBondContact O-CG 3.25Å; T382-L386 PolarHBondContact O-N 3.37Å; L383-L386 WeakPolarHBondContact O-CB 3.24Å; L383-L386 PolarHBondContact O-N 3.07Å; I384-L386 VanDerWaalsContact C-N 3.26Å; I384-L386 PolarHBondContact O-N 2.96Å; L386-R389 WeakPolarHBondContact O-CA 3.45Å; L386-R389 PolarHBondContact O-N 2.95Å; L386-V393 HydrophobicContact CD1-CG1 4.21Å; L386-V393 HydrophobicContact CD2-CG1 4.27Å; L386-I398 HydrophobicContact CB-CD1 3.66Å; L386-I405 WeakPolarHBondContact O-CD1 3.4Å
387I95.4Very high92.1Very high0 Ų026.1 Ų26.10%017%0.172CC..THydrogen-bonded Turntrans-66.7-50.5-177.1-57.7172.2000112.9I340 I384 R389 I400 I417 I500 L530I340-I387 HydrophobicContact CD1-CG2 4.25Å; I384-I387 PolarHBondContact O-N 3.35Å; I387-R389 PolarHBondContact O-N 3.03Å; I387-I400 HydrophobicContact CG2-CD1 4.48Å; I387-I417 HydrophobicContact CG2-CD1 4.09Å; I387-I500 HydrophobicContact CB-CD1 4.02Å; I387-I500 HydrophobicContact CD1-CD1 4.45Å; I387-I500 HydrophobicContact CG2-CD1 4.19Å; I387-L530 HydrophobicContact CD1-CD2 3.21Å
388P93.5Very high92.7Very high3 Ų322.8 Ų22.82%0.01914%0.137CC..THydrogen-bonded Turntrans-73.26.3171.633.2-36.4000112.5I384 F390 R414 I417 I500I384-P388 WeakPolarHBondContact O-CD 3.2Å; P388-F390 HydrophobicContact CB-CD1 4.31Å; P388-F390 HydrophobicContact CB-CE1 3.98Å; P388-F390 HydrophobicContact CB-CE2 4.27Å; P388-F390 HydrophobicContact CB-CZ 3.96Å; P388-F390 HydrophobicContact CG-CD1 4.21Å; P388-F390 HydrophobicContact CG-CD2 3.69Å; P388-F390 HydrophobicContact CG-CE1 4.12Å; P388-F390 HydrophobicContact CG-CE2 3.59Å; P388-F390 HydrophobicContact CG-CG 4Å; P388-F390 HydrophobicContact CG-CZ 3.81Å; P388-F390 PolarHBondContact O-N 3.15Å; P388-R414 HydrophobicContact CB-CG 4.48Å; P388-R414 WeakPolarHBondContact O-CG 3.42Å; P388-R414 PolarHBondContact O-NE 3.25Å; P388-I417 HydrophobicContact CB-CD1 4.18Å; P388-I417 HydrophobicContact CB-CG2 4.46Å; P388-I500 HydrophobicContact CG-CD1 4.45Å
389R92.8Very high93.2Very high6 Ų624.1 Ų24.12%0.02314%0.142CC..THydrogen-bonded Turntrans54.153-179.2-161.1-179.7174-156-9.5110.6I324 K325 L386 I387 Y391 D392 I405 K406 L413 R414I324-R389 WeakPolarHBondContact CD1-O 3.42Å; I324-R389 HydrophobicContact CG2-CG 4.35Å; K325-R389 PolarHBondContact O-NH2 2.8Å; L386-R389 WeakPolarHBondContact O-CA 3.45Å; L386-R389 PolarHBondContact O-N 2.95Å; I387-R389 PolarHBondContact O-N 3.03Å; R389-Y391 VanDerWaalsContact C-N 3.28Å; R389-D392 VanDerWaalsContact CG-OD1 3.27Å; R389-D392 WeakPolarHBondContact CG-OD1 3.32Å; R389-D392 IonicContact CZ-OD1 3.69Å; R389-D392 IonicContact CZ-OD2 2.73Å; R389-D392 IonicContact NE-OD1 2.74Å; R389-D392 PolarHBondContact NE-OD1 3.12Å; R389-D392 IonicContact NE-OD2 3.63Å; R389-D392 IonicContact NH2-OD1 3.43Å; R389-D392 PolarHBondContact NH2-OD1 3.46Å; R389-D392 IonicContact NH2-OD2 2.61Å; R389-D392 PolarHBondContact NH2-OD2 3.22Å; R389-D392 VanDerWaalsContact NH2-OD2 3.11Å; R389-I405 HydrophobicContact CB-CD1 4.3Å; R389-I405 HydrophobicContact CG-CD1 4.41Å; R389-K406 PolarHBondContact NH1-O 3.46Å; R389-L413 HydrophobicContact CB-CD2 3.8Å; R389-R414 PolarHBondContact O-NH2 3.13Å
390F89.7Confident93.5Very high49 Ų4923.9 Ų23.922%0.21514%0.14CC..SBendtrans-79.1-19.8166.3-62.8-29.2000112.1I324 N385 P388 L419I324-F390 VanDerWaalsContact CD1-C 3.43Å; I324-F390 WeakPolarHBondContact CD1-O 3.44Å; N385-F390 HydrophobicContact CB-CD2 4.36Å; N385-F390 WeakPolarHBondContact O-CB 3.42Å; N385-F390 PolarHBondContact O-N 3.2Å; N385-F390 VanDerWaalsContact O-N 3.17Å; N385-F390 WeakPolarHBondContact OD1-CD2 3.28Å; P388-F390 HydrophobicContact CB-CD1 4.31Å; P388-F390 HydrophobicContact CB-CE1 3.98Å; P388-F390 HydrophobicContact CB-CE2 4.27Å; P388-F390 HydrophobicContact CB-CZ 3.96Å; P388-F390 HydrophobicContact CG-CD1 4.21Å; P388-F390 HydrophobicContact CG-CD2 3.69Å; P388-F390 HydrophobicContact CG-CE1 4.12Å; P388-F390 HydrophobicContact CG-CE2 3.59Å; P388-F390 HydrophobicContact CG-CG 4Å; P388-F390 HydrophobicContact CG-CZ 3.81Å; P388-F390 PolarHBondContact O-N 3.15Å; F390-L419 HydrophobicContact CE2-CD2 3.52Å; F390-L419 HydrophobicContact CZ-CD2 3.81Å
391Y90.3Very high93.7Very high28 Ų2825.1 Ų25.111%0.1115%0.147CC..SBendtrans-137.7150.2167.1-54.6-89.8000108.6A109 R110 F347 Y349 N385 R389A109-Y391 HydrophobicContact CB-CE2 4.42Å; A109-Y391 WeakPolarHBondContact CB-OH 3.49Å; R110-Y391 HydrophobicContact CB-CE1 3.96Å; F347-Y391 HydrophobicContact CE2-CG 4.27Å; F347-Y391 AromaticContact CZ-CD1 3.99Å; F347-Y391 HydrophobicContact CZ-CD1 3.99Å; F347-Y391 AromaticContact CZ-CG 3.8Å; F347-Y391 HydrophobicContact CZ-CG 3.8Å; Y349-Y391 HydrophobicContact CD1-CD1 4.19Å; Y349-Y391 AromaticContact CD1-CE1 3.82Å; Y349-Y391 HydrophobicContact CD1-CE1 3.82Å; Y349-Y391 HydrophobicContact CE1-CD1 4.23Å; Y349-Y391 HydrophobicContact CE1-CD2 4.32Å; Y349-Y391 AromaticContact CE1-CE1 3.79Å; Y349-Y391 HydrophobicContact CE1-CE1 3.79Å; Y349-Y391 AromaticContact CE1-CE2 3.92Å; Y349-Y391 HydrophobicContact CE1-CE2 3.92Å; Y349-Y391 HydrophobicContact CE1-CG 4.47Å; Y349-Y391 AromaticContact CE1-CZ 3.63Å; N385-Y391 HydrophobicContact CB-CD2 4.36Å; N385-Y391 HydrophobicContact CB-CE2 4.47Å; R389-Y391 VanDerWaalsContact C-N 3.28Å
392D90.5Very high93.8Very high44 Ų4425.6 Ų25.624%0.23516%0.159CC..  trans-87.1143.8169.6-85.1-11000110F347 R389F347-D392 WeakPolarHBondContact CD2-O 3.37Å; F347-D392 WeakPolarHBondContact CE2-O 3.47Å; R389-D392 VanDerWaalsContact CG-OD1 3.27Å; R389-D392 WeakPolarHBondContact CG-OD1 3.32Å; R389-D392 IonicContact CZ-OD1 3.69Å; R389-D392 IonicContact CZ-OD2 2.73Å; R389-D392 IonicContact NE-OD1 2.74Å; R389-D392 PolarHBondContact NE-OD1 3.12Å; R389-D392 IonicContact NE-OD2 3.63Å; R389-D392 IonicContact NH2-OD1 3.43Å; R389-D392 PolarHBondContact NH2-OD1 3.46Å; R389-D392 IonicContact NH2-OD2 2.61Å; R389-D392 PolarHBondContact NH2-OD2 3.22Å; R389-D392 VanDerWaalsContact NH2-OD2 3.11Å
393V93.1Very high94Very high15 Ų1529.3 Ų29.39%0.09118%0.175CC..  trans-64.5144.3175-590000111.3V345 L386 G396 I398V345-V393 HydrophobicContact CG1-CB 4.16Å; V345-V393 HydrophobicContact CG1-CG1 3.61Å; V345-V393 HydrophobicContact CG2-CG1 4.22Å; L386-V393 HydrophobicContact CD1-CG1 4.21Å; L386-V393 HydrophobicContact CD2-CG1 4.27Å; V393-G396 WeakPolarHBondContact CG2-O 3.33Å; V393-I398 HydrophobicContact CG1-CD1 3.98Å; V393-I398 HydrophobicContact CG1-CG1 4.23Å
394T92Very high94Very high77 Ų7730.5 Ų30.547%0.47218%0.181SC..SBendtrans-73.6-42.5177.1-55.90000111.1S346 F347 Q348S346-T394 WeakPolarHBondContact O-CA 3.39Å; S346-T394 WeakPolarHBondContact O-CB 3.08Å; S346-T394 PolarHBondContact O-N 2.84Å; F347-T394 WeakPolarHBondContact CA-OG1 3.35Å; Q348-T394 HydrophobicContact CG-CG2 4.45Å; Q348-T394 PolarHBondContact N-OG1 3.32Å; Q348-T394 VanDerWaalsContact N-OG1 3.15Å
395S94.3Very high94Very high56 Ų5630.9 Ų30.939%0.39218%0.183SC..EExtended strand (participates in β ladder)trans-145165.2171.970.40000110V345 S346V345-S395 WeakPolarHBondContact CA-O 3.34Å; S346-S395 VanDerWaalsContact CB-OG 3.29Å; S346-S395 WeakPolarHBondContact CB-OG 3.38Å; S346-S395 PolarHBondContact N-O 3.16Å; S346-S395 PolarHBondContact O-N 2.82Å; S346-S395 PolarHBondContact OG-OG 3.25Å
396G95.8Very high94Very high35 Ų3533.2 Ų33.236%0.36119%0.192SC..EExtended strand (participates in β ladder)trans77-166-173.500000112.6D343 H344 V393D343-G396 CarbonylContact O-C 3.52Å; D343-G396 WeakPolarHBondContact O-CA 3.45Å; H344-G396 VanDerWaalsContact O-CA 3.26Å; H344-G396 WeakPolarHBondContact O-CA 3.45Å; H344-G396 PolarHBondContact O-N 3.09Å; V393-G396 WeakPolarHBondContact CG2-O 3.33Å
397Q96.2Very high93.9Very high67 Ų6737.3 Ų37.331%0.31321%0.214SC..EExtended strand (participates in β ladder)trans-151.4154.2-177.758.2-171.2-9.500112.1D343 V345 L399 N404D343-Q397 HydrophobicContact CB-CG 3.9Å; D343-Q397 PolarHBondContact N-O 2.64Å; D343-Q397 PolarHBondContact O-N 3.06Å; D343-Q397 PolarHBondContact OD2-NE2 2.7Å; V345-Q397 VanDerWaalsContact CG2-O 3.28Å; V345-Q397 WeakPolarHBondContact CG2-O 3.49Å; Q397-L399 HydrophobicContact CG-CD2 4.49Å; Q397-L399 HydrophobicContact CG-CG 4.47Å; Q397-N404 WeakPolarHBondContact CB-ND2 3.49Å; Q397-N404 PolarHBondContact OE1-ND2 2.78Å; Q397-N404 VanDerWaalsContact OE1-ND2 3.17Å
398I97.2Very high93.8Very high1 Ų137.4 Ų37.41%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-114.8125.9170.3-59.4174.3000106.3I340 D341 I342 V345 L386 V393 I405I340-I398 HydrophobicContact CG2-CG2 4.07Å; D341-I398 CarbonylContact O-C 3.56Å; D341-I398 WeakPolarHBondContact O-CA 2.88Å; I342-I398 HydrophobicContact CG2-CG1 4.49Å; V345-I398 HydrophobicContact CG2-CG1 3.89Å; L386-I398 HydrophobicContact CB-CD1 3.66Å; V393-I398 HydrophobicContact CG1-CD1 3.98Å; V393-I398 HydrophobicContact CG1-CG1 4.23Å; I398-I405 HydrophobicContact CB-CD1 3.75Å; I398-I405 HydrophobicContact CB-CG1 4.02Å; I398-I405 HydrophobicContact CB-CG2 4.37Å; I398-I405 HydrophobicContact CD1-CD1 4.11Å; I398-I405 HydrophobicContact CG1-CD1 4.39Å; I398-I405 HydrophobicContact CG2-CD1 4.17Å; I398-I405 HydrophobicContact CG2-CG2 4.02Å; I398-I405 PolarHBondContact O-N 2.95Å
399L97Very high93.8Very high33 Ų3340 Ų4017%0.17323%0.228CC..EExtended strand (participates in β ladder)trans-110.2138.2178.2-53165.3000108.5I340 D341 Q397 H403 N404I340-L399 CarbonylContact C-O 3.58Å; I340-L399 WeakPolarHBondContact CA-O 3.39Å; D341-L399 HydrophobicContact CB-CB 4.23Å; D341-L399 HydrophobicContact CB-CD1 4.34Å; D341-L399 PolarHBondContact N-O 3.21Å; D341-L399 PolarHBondContact O-N 3.26Å; Q397-L399 HydrophobicContact CG-CD2 4.49Å; Q397-L399 HydrophobicContact CG-CG 4.47Å; L399-H403 CarbonylContact C-O 3.53Å; L399-H403 VanDerWaalsContact CA-O 3.24Å; L399-H403 WeakPolarHBondContact CA-O 3.37Å; L399-N404 HydrophobicContact CD2-CB 3.86Å
400I96.7Very high93.6Very high0 Ų040.5 Ų40.50%023%0.232CC..EExtended strand (participates in β ladder)trans-120.1124.1167.6-60.5177000107.8I335 R339 I340 I387 G402 H403 I405 F408 L413 I498I335-I400 HydrophobicContact CB-CG2 4.46Å; I335-I400 HydrophobicContact CD1-CD1 4.29Å; I335-I400 HydrophobicContact CD1-CG2 3.86Å; I335-I400 HydrophobicContact CG1-CG2 3.86Å; I335-I400 HydrophobicContact CG2-CG2 3.82Å; R339-I400 CarbonylContact O-C 3.51Å; R339-I400 VanDerWaalsContact O-CA 3.26Å; R339-I400 WeakPolarHBondContact O-CA 3.37Å; I340-I400 HydrophobicContact CG1-CG1 4.38Å; I387-I400 HydrophobicContact CG2-CD1 4.48Å; I400-G402 PolarHBondContact O-N 3.36Å; I400-G402 VanDerWaalsContact O-N 3.17Å; I400-H403 PolarHBondContact N-O 3.45Å; I400-H403 PolarHBondContact O-N 2.87Å; I400-I405 HydrophobicContact CD1-CG2 3.66Å; I400-I405 HydrophobicContact CG1-CG2 3.71Å; I400-F408 HydrophobicContact CB-CZ 4.34Å; I400-L413 HydrophobicContact CD1-CD1 3.7Å; I400-I498 HydrophobicContact CD1-CD1 3.94Å; I400-I498 HydrophobicContact CG1-CD1 4.48Å; I400-I498 HydrophobicContact CG2-CD1 3.85Å
401D95.4Very high93.6Very high35 Ų3540.8 Ų40.819%0.18725%0.248CC..THydrogen-bonded Turntrans50.835.5-173.1-63.6-11.7000112.7K336 Q337 G338 R339 H403K336-D401 PolarHBondContact N-OD2 2.9Å; Q337-D401 WeakPolarHBondContact CB-OD1 3.33Å; Q337-D401 PolarHBondContact N-OD2 3.46Å; G338-D401 PolarHBondContact N-OD1 2.96Å; G338-D401 PolarHBondContact N-OD2 3.26Å; R339-D401 PolarHBondContact N-OD1 3.46Å; R339-D401 PolarHBondContact O-N 3.35Å; D401-H403 VanDerWaalsContact C-N 3.27Å; D401-H403 PolarHBondContact O-N 2.76Å
402G93.9Very high93.7Very high50 Ų5040.8 Ų40.852%0.51525%0.252SS..THydrogen-bonded Turntrans79.2-2.5-177.600000115.6I400I400-G402 PolarHBondContact O-N 3.36Å; I400-G402 VanDerWaalsContact O-N 3.17Å
403H94.7Very high93.9Very high92 Ų9238.7 Ų38.743%0.42624%0.241SC..EExtended strand (participates in β ladder)trans-97.7133.6175.9-66.9-77.9000111.1I333 L399 I400 D401 I405 F408I333-H403 HydrophobicContact CD1-CB 4.26Å; L399-H403 CarbonylContact C-O 3.53Å; L399-H403 VanDerWaalsContact CA-O 3.24Å; L399-H403 WeakPolarHBondContact CA-O 3.37Å; I400-H403 PolarHBondContact N-O 3.45Å; I400-H403 PolarHBondContact O-N 2.87Å; D401-H403 VanDerWaalsContact C-N 3.27Å; D401-H403 PolarHBondContact O-N 2.76Å; H403-I405 PolarHBondContact O-N 3.1Å; H403-F408 HydrophobicContact CB-CE2 3.66Å; H403-F408 HydrophobicContact CB-CZ 4.03Å
404N94.8Very high93.9Very high25 Ų2542.3 Ų42.313%0.13425%0.253CS..EExtended strand (participates in β ladder)trans-66.8132.2177.3-168.9-42.9000110.5Q397 L399 K406 D407 F408Q397-N404 WeakPolarHBondContact CB-ND2 3.49Å; Q397-N404 PolarHBondContact OE1-ND2 2.78Å; Q397-N404 VanDerWaalsContact OE1-ND2 3.17Å; L399-N404 HydrophobicContact CD2-CB 3.86Å; N404-K406 PolarHBondContact O-N 3.21Å; N404-K406 WeakPolarHBondContact OD1-CB 3.46Å; N404-K406 WeakPolarHBondContact OD1-CG 3.46Å; N404-K406 PolarHBondContact OD1-N 3.4Å; N404-D407 WeakPolarHBondContact O-CB 3.18Å; N404-D407 PolarHBondContact O-N 3.47Å; N404-F408 VanDerWaalsContact O-CD2 3.31Å; N404-F408 WeakPolarHBondContact O-CD2 3.47Å
405I94.3Very high94Very high7 Ų743.3 Ų43.34%0.03626%0.255CS..G310 helixtrans-58.1-20.517963.8168.8000113.1L386 R389 I398 I400 H403 D407 F408 L413L386-I405 WeakPolarHBondContact O-CD1 3.4Å; R389-I405 HydrophobicContact CB-CD1 4.3Å; R389-I405 HydrophobicContact CG-CD1 4.41Å; I398-I405 HydrophobicContact CB-CD1 3.75Å; I398-I405 HydrophobicContact CB-CG1 4.02Å; I398-I405 HydrophobicContact CB-CG2 4.37Å; I398-I405 HydrophobicContact CD1-CD1 4.11Å; I398-I405 HydrophobicContact CG1-CD1 4.39Å; I398-I405 HydrophobicContact CG2-CD1 4.17Å; I398-I405 HydrophobicContact CG2-CG2 4.02Å; I398-I405 PolarHBondContact O-N 2.95Å; I400-I405 HydrophobicContact CD1-CG2 3.66Å; I400-I405 HydrophobicContact CG1-CG2 3.71Å; H403-I405 PolarHBondContact O-N 3.1Å; I405-D407 VanDerWaalsContact C-N 3.27Å; I405-D407 PolarHBondContact O-N 3.35Å; I405-F408 PolarHBondContact O-N 2.83Å; I405-L413 HydrophobicContact CB-CD2 4.04Å; I405-L413 HydrophobicContact CG2-CD1 4.41Å; I405-L413 HydrophobicContact CG2-CD2 4.44Å
406K91.7Very high94.1Very high74 Ų7441.8 Ų41.832%0.32224%0.242SC..G310 helixtrans-68.2-25.1173.5-69-178.3177.31760113.3R389 N404 F408R389-K406 PolarHBondContact NH1-O 3.46Å; N404-K406 PolarHBondContact O-N 3.21Å; N404-K406 WeakPolarHBondContact OD1-CB 3.46Å; N404-K406 WeakPolarHBondContact OD1-CG 3.46Å; N404-K406 PolarHBondContact OD1-N 3.4Å; K406-F408 VanDerWaalsContact C-N 3.33Å
407D92.8Very high94.1Very high86 Ų8640.7 Ų40.746%0.4623%0.228SC..G310 helixtrans-83.5-10.7179.2-57.4-29.6000112.5A330 Q331 I333 N404 I405A330-D407 CarbonylContact C-O 3.59Å; A330-D407 WeakPolarHBondContact CA-O 2.97Å; Q331-D407 PolarHBondContact N-O 3.4Å; I333-D407 HydrophobicContact CD1-CB 4.39Å; N404-D407 WeakPolarHBondContact O-CB 3.18Å; N404-D407 PolarHBondContact O-N 3.47Å; I405-D407 VanDerWaalsContact C-N 3.27Å; I405-D407 PolarHBondContact O-N 3.35Å
408F93.1Very high94Very high2 Ų237.6 Ų37.61%0.00921%0.214CC..BIsolated β-bridgetrans-80.5144.7174.8-69.9-113000110.7Q331 I333 I335 I400 H403 N404 I405 K406 T410 L413Q331-F408 WeakPolarHBondContact O-CA 3.42Å; I333-F408 HydrophobicContact CB-CD1 3.7Å; I333-F408 HydrophobicContact CB-CE1 3.49Å; I333-F408 VanDerWaalsContact CB-CE1 3.49Å; I333-F408 HydrophobicContact CB-CG 4.3Å; I333-F408 HydrophobicContact CB-CZ 3.94Å; I333-F408 HydrophobicContact CD1-CD2 4.13Å; I333-F408 HydrophobicContact CD1-CE2 4.15Å; I333-F408 HydrophobicContact CD1-CG 4.36Å; I333-F408 HydrophobicContact CD1-CZ 4.37Å; I333-F408 HydrophobicContact CG2-CD1 4.37Å; I333-F408 HydrophobicContact CG2-CE1 3.65Å; I333-F408 HydrophobicContact CG2-CZ 3.74Å; I333-F408 WeakPolarHBondContact O-CE1 3.49Å; I335-F408 HydrophobicContact CD1-CE1 4.43Å; I335-F408 HydrophobicContact CG1-CE1 3.93Å; I335-F408 HydrophobicContact CG1-CZ 4.41Å; I400-F408 HydrophobicContact CB-CZ 4.34Å; H403-F408 HydrophobicContact CB-CE2 3.66Å; H403-F408 HydrophobicContact CB-CZ 4.03Å; N404-F408 VanDerWaalsContact O-CD2 3.31Å; N404-F408 WeakPolarHBondContact O-CD2 3.47Å; I405-F408 PolarHBondContact O-N 2.83Å; K406-F408 VanDerWaalsContact C-N 3.33Å; F408-T410 PolarHBondContact O-N 3.46Å; F408-L413 HydrophobicContact CB-CB 3.93Å; F408-L413 HydrophobicContact CD1-CB 4.28Å; F408-L413 HydrophobicContact CD1-CD1 4.19Å; F408-L413 HydrophobicContact CG-CB 4.34Å; F408-L413 HydrophobicContact CG-CD1 4.34Å
409L92.8Very high93.8Very high59 Ų5939.6 Ų39.631%0.30923%0.225SC..  trans-62.6125.3156.7-71.4177.4000108.7N326 A330 Q331 P332 G411 S412 L413N326-L409 HydrophobicContact CB-CD2 4.28Å; A330-L409 HydrophobicContact CB-CD2 4.01Å; Q331-L409 PolarHBondContact O-N 2.96Å; P332-L409 HydrophobicContact CB-CD1 4.1Å; P332-L409 HydrophobicContact CG-CD1 4.3Å; L409-G411 PolarHBondContact O-N 3.01Å; L409-G411 VanDerWaalsContact O-N 3.11Å; L409-S412 WeakPolarHBondContact O-CA 3.21Å; L409-S412 WeakPolarHBondContact O-CB 3.35Å; L409-S412 PolarHBondContact O-N 3.41Å; L409-L413 PolarHBondContact O-N 3.44Å
410T89.8Confident93.5Very high16 Ų1638 Ų3810%0.09822%0.216CC..Hα-helixtrans-51.8-40.6-175.4-580000113.2I324 N326 F408 R414I324-T410 HydrophobicContact CG2-CG2 4.39Å; N326-T410 WeakPolarHBondContact OD1-CB 3.42Å; N326-T410 PolarHBondContact OD1-N 2.97Å; N326-T410 PolarHBondContact OD1-OG1 3.33Å; F408-T410 PolarHBondContact O-N 3.46Å; T410-R414 VanDerWaalsContact CG2-NE 3.33Å; T410-R414 VanDerWaalsContact CG2-NH2 3.29Å; T410-R414 WeakPolarHBondContact O-CB 3.24Å; T410-R414 VanDerWaalsContact O-CG 3.31Å; T410-R414 WeakPolarHBondContact O-CG 3.43Å; T410-R414 PolarHBondContact O-N 2.87Å
411G89.9Confident93Very high55 Ų5541.9 Ų41.957%0.56723%0.234SC*.Hα-helixtrans-67.7-36.7176.400000113.5L409 N415L409-G411 PolarHBondContact O-N 3.01Å; L409-G411 VanDerWaalsContact O-N 3.11Å; G411-N415 VanDerWaalsContact O-CB 3.32Å; G411-N415 WeakPolarHBondContact O-CB 3.16Å; G411-N415 PolarHBondContact O-N 3.13Å
412S92.3Very high92.3Very high28 Ų2845 Ų4520%0.19625%0.248CC..Hα-helixtrans-68.7-40.7176.7173.10000111.4P332 I333 L409 Q416P332-S412 WeakPolarHBondContact CA-OG 3.21Å; I333-S412 PolarHBondContact O-OG 3.27Å; L409-S412 WeakPolarHBondContact O-CA 3.21Å; L409-S412 WeakPolarHBondContact O-CB 3.35Å; L409-S412 PolarHBondContact O-N 3.41Å; S412-Q416 WeakPolarHBondContact O-CG 3.24Å; S412-Q416 PolarHBondContact O-NE2 3.38Å; S412-Q416 PolarHBondContact OG-NE2 2.89Å
413L94.9Very high91.5Very high0 Ų047.9 Ų47.90%025%0.252CS..Hα-helixtrans-61.2-53174178.363000111.4I335 R389 I400 I405 F408 L409 N415 Q416 I417I335-L413 HydrophobicContact CD1-CD1 4.37Å; R389-L413 HydrophobicContact CB-CD2 3.8Å; I400-L413 HydrophobicContact CD1-CD1 3.7Å; I405-L413 HydrophobicContact CB-CD2 4.04Å; I405-L413 HydrophobicContact CG2-CD1 4.41Å; I405-L413 HydrophobicContact CG2-CD2 4.44Å; F408-L413 HydrophobicContact CB-CB 3.93Å; F408-L413 HydrophobicContact CD1-CB 4.28Å; F408-L413 HydrophobicContact CD1-CD1 4.19Å; F408-L413 HydrophobicContact CG-CB 4.34Å; F408-L413 HydrophobicContact CG-CD1 4.34Å; L409-L413 PolarHBondContact O-N 3.44Å; L413-N415 VanDerWaalsContact C-N 3.33Å; L413-N415 PolarHBondContact O-N 2.9Å; L413-Q416 PolarHBondContact O-N 3.38Å; L413-I417 HydrophobicContact CD1-CD1 3.77Å; L413-I417 HydrophobicContact CG-CD1 3.96Å
414R93.6Very high90.8Very high91 Ų9144.1 Ų44.134%0.34324%0.235SC..Hα-helixtrans-66.3-31.8-176.1-69.7174.1-173.6167.84.5113.3P388 R389 T410 Q416 I417P388-R414 HydrophobicContact CB-CG 4.48Å; P388-R414 WeakPolarHBondContact O-CG 3.42Å; P388-R414 PolarHBondContact O-NE 3.25Å; R389-R414 PolarHBondContact O-NH2 3.13Å; T410-R414 VanDerWaalsContact CG2-NE 3.33Å; T410-R414 VanDerWaalsContact CG2-NH2 3.29Å; T410-R414 WeakPolarHBondContact O-CB 3.24Å; T410-R414 VanDerWaalsContact O-CG 3.31Å; T410-R414 WeakPolarHBondContact O-CG 3.43Å; T410-R414 PolarHBondContact O-N 2.87Å; R414-Q416 PolarHBondContact O-N 3.28Å; R414-I417 PolarHBondContact O-N 3.13Å
415N93.1Very high90.2Very high97 Ų9746.7 Ų46.752%0.51925%0.248SC..Hα-helixtrans-65.6-18.6175-163.774.6000112.8G411 L413 N494G411-N415 VanDerWaalsContact O-CB 3.32Å; G411-N415 WeakPolarHBondContact O-CB 3.16Å; G411-N415 PolarHBondContact O-N 3.13Å; L413-N415 VanDerWaalsContact C-N 3.33Å; L413-N415 PolarHBondContact O-N 2.9Å; N415-N494 PolarHBondContact O-ND2 3.33Å
416Q95.6Very high90Very high24 Ų2446.4 Ų46.411%0.11225%0.246CC..THydrogen-bonded Turntrans-106.39.7-177.6-62.5175.988.400112.8I333 I335 S412 L413 R414 P496 P497I333-Q416 PolarHBondContact O-NE2 3.26Å; I335-Q416 HydrophobicContact CD1-CB 3.76Å; I335-Q416 HydrophobicContact CG1-CB 4.42Å; S412-Q416 WeakPolarHBondContact O-CG 3.24Å; S412-Q416 PolarHBondContact O-NE2 3.38Å; S412-Q416 PolarHBondContact OG-NE2 2.89Å; L413-Q416 PolarHBondContact O-N 3.38Å; R414-Q416 PolarHBondContact O-N 3.28Å; Q416-P496 VanDerWaalsContact C-CB 3.48Å; Q416-P496 WeakPolarHBondContact O-CB 3.38Å; Q416-P497 HydrophobicContact CB-CG 4.29Å; Q416-P497 VanDerWaalsContact O-CD 3.27Å; Q416-P497 WeakPolarHBondContact O-CD 3.29Å
417I96Very high89.9Confident12 Ų1248.4 Ų48.46%0.06226%0.255CS..EExtended strand (participates in β ladder)trans-124.5118.2175.7-63165.6000108.1I387 P388 L413 R414 I498 I500I387-I417 HydrophobicContact CG2-CD1 4.09Å; P388-I417 HydrophobicContact CB-CD1 4.18Å; P388-I417 HydrophobicContact CB-CG2 4.46Å; L413-I417 HydrophobicContact CD1-CD1 3.77Å; L413-I417 HydrophobicContact CG-CD1 3.96Å; R414-I417 PolarHBondContact O-N 3.13Å; I417-I498 CarbonylContact C-O 3.59Å; I417-I498 WeakPolarHBondContact CA-O 3.35Å; I417-I498 HydrophobicContact CG1-CB 4.19Å; I417-I498 HydrophobicContact CG1-CG2 4.36Å; I417-I498 HydrophobicContact CG2-CG2 4.45Å; I417-I500 HydrophobicContact CG2-CD1 3.73Å; I417-I500 HydrophobicContact CG2-CG1 4.03Å
418G94.5Very high89.7Confident3 Ų347.6 Ų47.63%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-83.1127.7170.400000109.7P496 I498 L499 I500G418-P496 VanDerWaalsContact CA-CG 3.45Å; G418-I498 PolarHBondContact N-O 3.27Å; G418-L499 CarbonylContact O-C 3.55Å; G418-L499 WeakPolarHBondContact O-CA 3.45Å; G418-I500 PolarHBondContact O-N 2.91Å
419L92.7Very high89.7Confident42 Ų4251.6 Ų51.622%0.2228%0.278CS..EExtended strand (participates in β ladder)trans-122.6118.8178177.566.3000110F390 Q421 I500F390-L419 HydrophobicContact CE2-CD2 3.52Å; F390-L419 HydrophobicContact CZ-CD2 3.81Å; L419-Q421 HydrophobicContact CD1-CG 4.3Å; L419-Q421 HydrophobicContact CD2-CG 3.7Å; L419-Q421 HydrophobicContact CG-CG 3.71Å; L419-I500 WeakPolarHBondContact CA-O 3.16Å; L419-I500 HydrophobicContact CD1-CB 3.68Å; L419-I500 HydrophobicContact CD1-CG2 3.46Å; L419-I500 VanDerWaalsContact CD1-CG2 3.46Å
420V90.3Very high89.9Confident0 Ų050 Ų500%027%0.271CS..EExtended strand (participates in β ladder)trans-101.2113165.5-175.50000107.3I488 I491 I500 L501 D502 A504V420-I488 HydrophobicContact CG2-CG1 4.22Å; V420-I491 HydrophobicContact CB-CD1 4.37Å; V420-I491 HydrophobicContact CG2-CD1 3.19Å; V420-I500 PolarHBondContact N-O 3.49Å; V420-L501 HydrophobicContact CB-CD2 3.81Å; V420-L501 HydrophobicContact CG2-CD2 3.52Å; V420-D502 PolarHBondContact O-N 3.13Å; V420-A504 HydrophobicContact CB-CB 4.37Å; V420-A504 HydrophobicContact CG1-CB 3.73Å
421Q86.8Confident90.2Very high81 Ų8149.3 Ų49.338%0.37927%0.266SS..  trans-89.5163177.5-59.5-171.7-62.200111L419 N424 D502L419-Q421 HydrophobicContact CD1-CG 4.3Å; L419-Q421 HydrophobicContact CD2-CG 3.7Å; L419-Q421 HydrophobicContact CG-CG 3.71Å; Q421-N424 PolarHBondContact O-ND2 3.06Å; Q421-N424 VanDerWaalsContact O-ND2 3.16Å; Q421-N424 PolarHBondContact O-OD1 3.1Å; Q421-D502 CarbonylContact C-O 3.55Å
422Q80.7Confident90.5Very high101 Ų10148.6 Ų48.647%0.47225%0.247SC..SBendtrans-64.5-50.7172.9-176.4175.728.100112D502 E503 S506Q422-D502 PolarHBondContact N-O 3.01Å; Q422-D502 VanDerWaalsContact N-O 3.13Å; Q422-E503 HydrophobicContact CB-CB 4.24Å; Q422-E503 VanDerWaalsContact CD-OE2 3.24Å; Q422-E503 HydrophobicContact CG-CB 4.2Å; Q422-E503 PolarHBondContact NE2-OE2 3.31Å; Q422-E503 PolarHBondContact OE1-OE2 3.5Å; Q422-S506 PolarHBondContact NE2-OG 3.36Å; Q422-S506 VanDerWaalsContact NE2-OG 3.12Å
423D77.4Confident90.7Very high111 Ų11151.7 Ų51.759%0.59426%0.258SS*.SBendtrans-96.596.3175.3-173.418.3000110.4I425D423-I425 PolarHBondContact O-N 3.03Å
424N79.9Confident90.7Very high13 Ų1351.7 Ų51.77%0.0726%0.259CS..  trans-79.5101.8180-79-51.1000111.9Q421 L426 K483 Q484 S487Q421-N424 PolarHBondContact O-ND2 3.06Å; Q421-N424 VanDerWaalsContact O-ND2 3.16Å; Q421-N424 PolarHBondContact O-OD1 3.1Å; N424-L426 PolarHBondContact O-N 3.38Å; N424-K483 HydrophobicContact CB-CB 4.49Å; N424-Q484 PolarHBondContact ND2-NE2 3.17Å; N424-Q484 VanDerWaalsContact ND2-NE2 3.14Å; N424-Q484 PolarHBondContact ND2-OE1 3.38Å; N424-S487 VanDerWaalsContact CB-OG 3.3Å; N424-S487 WeakPolarHBondContact CB-OG 3.45Å; N424-S487 WeakPolarHBondContact OD1-CB 3.43Å; N424-S487 PolarHBondContact OD1-OG 3.37Å
425I82.7Confident90.9Very high79 Ų7947.4 Ų47.441%0.40524%0.242SC..PPolyproline II helixtrans-74.7118.9172.6-57.6175.9000109.3D423 R490D423-I425 PolarHBondContact O-N 3.03Å; I425-R490 PolarHBondContact O-NH1 3.01Å; I425-R490 PolarHBondContact O-NH2 3.47Å
426L89Confident91.1Very high1 Ų143.5 Ų43.51%0.00522%0.222CC..PPolyproline II helixtrans-98.7139.6164.4-54.9-174.5000109.5N424 N434 V471 R474 L478 K483 L486N424-L426 PolarHBondContact O-N 3.38Å; L426-N434 WeakPolarHBondContact CA-OD1 3.42Å; L426-N434 WeakPolarHBondContact CB-OD1 3.42Å; L426-V471 HydrophobicContact CB-CG2 3.96Å; L426-V471 HydrophobicContact CD1-CB 4.47Å; L426-V471 HydrophobicContact CD1-CG2 4.23Å; L426-R474 WeakPolarHBondContact O-CA 3.48Å; L426-R474 PolarHBondContact O-N 3.07Å; L426-L478 HydrophobicContact CD1-CD1 3.71Å; L426-K483 HydrophobicContact CD1-CB 4.18Å; L426-K483 HydrophobicContact CD1-CG 3.87Å; L426-K483 HydrophobicContact CG-CB 4.47Å; L426-K483 HydrophobicContact CG-CG 4.4Å; L426-L486 HydrophobicContact CD1-CD1 3.78Å; L426-L486 HydrophobicContact CD2-CB 4.35Å
427F89.8Confident91Very high116 Ų11646.5 Ų46.551%0.50924%0.238SC..PPolyproline II helixtrans-80153.4174.1-66.2-87.1000109.7D429 N434 L437 V471F427-D429 PolarHBondContact O-N 3.27Å; F427-N434 PolarHBondContact N-OD1 3.07Å; F427-N434 PolarHBondContact O-ND2 3.34Å; F427-L437 HydrophobicContact CD2-CD1 3.48Å; F427-L437 VanDerWaalsContact CD2-CD1 3.48Å; F427-L437 HydrophobicContact CE2-CD1 3.77Å; F427-V471 VanDerWaalsContact O-CG2 3.27Å; F427-V471 WeakPolarHBondContact O-CG2 3.29Å
428S88.7Confident90.8Very high68 Ų6846.7 Ų46.748%0.47624%0.242SC..SBendtrans-75.661.1-179.3-172.40000111.8
429D93.6Very high90.8Very high87 Ų8750.3 Ų50.347%0.46526%0.255SS..SBendtrans-131.6-174.4177.1-82.6-54.7000109.3F427 E433 E470 V471F427-D429 PolarHBondContact O-N 3.27Å; D429-E433 HydrophobicContact CB-CB 3.87Å; D429-E470 WeakPolarHBondContact O-CA 3.39Å; D429-V471 PolarHBondContact O-N 3.46Å
430T95.8Very high90.9Very high26 Ų2653.4 Ų53.416%0.1628%0.278CS..BIsolated β-bridgetrans-64.6161.1175.8720000111.8K432 E433 N434 D468 T469 E470T430-K432 PolarHBondContact O-N 3.01Å; T430-E433 PolarHBondContact O-N 3.45Å; T430-E433 WeakPolarHBondContact OG1-CG 3.42Å; T430-E433 PolarHBondContact OG1-N 3.19Å; T430-E433 VanDerWaalsContact OG1-N 3.12Å; T430-N434 PolarHBondContact O-N 2.95Å; T430-N434 PolarHBondContact O-ND2 3.33Å; T430-D468 VanDerWaalsContact CG2-O 3.25Å; T430-D468 WeakPolarHBondContact CG2-O 3.27Å; T430-T469 CarbonylContact C-O 3.49Å; T430-T469 WeakPolarHBondContact CA-O 3.43Å; T430-E470 HydrophobicContact CG2-CG 4.41Å
431V96.4Very high91.1Very high0 Ų059.1 Ų59.10%031%0.313CS..Hα-helixtrans-56.2-43.5171.1169.40000110.6N434 I435 I460 L463 Y467 T469 V471 L486V431-N434 WeakPolarHBondContact O-CB 3.39Å; V431-N434 PolarHBondContact O-N 2.86Å; V431-I435 HydrophobicContact CG1-CD1 3.97Å; V431-I435 WeakPolarHBondContact O-CG1 3.4Å; V431-I435 PolarHBondContact O-N 2.66Å; V431-I460 HydrophobicContact CG1-CD1 3.76Å; V431-I460 HydrophobicContact CG1-CG1 3.88Å; V431-I460 HydrophobicContact CG1-CG2 4.03Å; V431-L463 HydrophobicContact CG2-CD1 3.76Å; V431-Y467 WeakPolarHBondContact CB-O 3.29Å; V431-Y467 HydrophobicContact CG1-CD1 4.41Å; V431-Y467 PolarHBondContact N-O 3.43Å; V431-T469 PolarHBondContact N-O 3.25Å; V431-V471 HydrophobicContact CG2-CG1 3.53Å; V431-L486 HydrophobicContact CG1-CD1 4.24Å; V431-L486 HydrophobicContact CG1-CD2 3.69Å; V431-L486 HydrophobicContact CG2-CD1 4.39Å
432K97.1Very high91.5Very high40 Ų4055.8 Ų55.817%0.17430%0.299CS..Hα-helixtrans-55.1-53.8177-178.2179.2175175.50112T430 N434 I435 L436 D444 Y467T430-K432 PolarHBondContact O-N 3.01Å; K432-N434 PolarHBondContact O-N 3.06Å; K432-I435 PolarHBondContact O-N 3.17Å; K432-L436 HydrophobicContact CG-CD1 3.97Å; K432-L436 WeakPolarHBondContact O-CG 3.49Å; K432-L436 PolarHBondContact O-N 3.21Å; K432-D444 WeakPolarHBondContact CE-OD1 3.35Å; K432-D444 IonicContact NZ-OD1 3.83Å; K432-D444 PolarHBondContact NZ-OD1 3.37Å; K432-D444 IonicContact NZ-OD2 3.72Å; K432-D444 PolarHBondContact NZ-OD2 3.48Å; K432-Y467 WeakPolarHBondContact CB-O 3.38Å; K432-Y467 PolarHBondContact N-O 3.25Å
433E96.5Very high92.3Very high93 Ų9354.4 Ų54.444%0.43530%0.298SS..Hα-helixtrans-62.3-35.5-179.7-70-55.214100111.7D429 T430 I435 L436 L437D429-E433 HydrophobicContact CB-CB 3.87Å; T430-E433 PolarHBondContact O-N 3.45Å; T430-E433 WeakPolarHBondContact OG1-CG 3.42Å; T430-E433 PolarHBondContact OG1-N 3.19Å; T430-E433 VanDerWaalsContact OG1-N 3.12Å; E433-I435 VanDerWaalsContact C-N 3.34Å; E433-I435 PolarHBondContact O-N 3.38Å; E433-L436 PolarHBondContact O-N 3.34Å; E433-L437 PolarHBondContact O-N 3Å
434N95.4Very high93.2Very high1 Ų153.7 Ų53.71%0.00529%0.294CS..Hα-helixtrans-64.6-35174.2-88.9-82.8000113.4L426 F427 T430 V431 K432 R490L426-N434 WeakPolarHBondContact CA-OD1 3.42Å; L426-N434 WeakPolarHBondContact CB-OD1 3.42Å; F427-N434 PolarHBondContact N-OD1 3.07Å; F427-N434 PolarHBondContact O-ND2 3.34Å; T430-N434 PolarHBondContact O-N 2.95Å; T430-N434 PolarHBondContact O-ND2 3.33Å; V431-N434 WeakPolarHBondContact O-CB 3.39Å; V431-N434 PolarHBondContact O-N 2.86Å; K432-N434 PolarHBondContact O-N 3.06Å; N434-R490 WeakPolarHBondContact O-CG 3.46Å; N434-R490 PolarHBondContact O-NE 3.04Å; N434-R490 PolarHBondContact OD1-NH2 2.88Å
435I96.6Very high94Very high0 Ų060.7 Ų60.70%033%0.326CS..Hα-helixtrans-74.6-40.8175.6-64.8168.2000110.3V431 K432 E433 L437 G438 V447 A451 I460 Y467 L486 A489 L493V431-I435 HydrophobicContact CG1-CD1 3.97Å; V431-I435 WeakPolarHBondContact O-CG1 3.4Å; V431-I435 PolarHBondContact O-N 2.66Å; K432-I435 PolarHBondContact O-N 3.17Å; E433-I435 VanDerWaalsContact C-N 3.34Å; E433-I435 PolarHBondContact O-N 3.38Å; I435-L437 PolarHBondContact O-N 3.43Å; I435-G438 PolarHBondContact O-N 2.84Å; I435-V447 HydrophobicContact CB-CG1 4.2Å; I435-V447 HydrophobicContact CD1-CG1 4.15Å; I435-V447 HydrophobicContact CG2-CG1 3.95Å; I435-A451 HydrophobicContact CD1-CB 4.24Å; I435-I460 HydrophobicContact CD1-CD1 4.19Å; I435-Y467 HydrophobicContact CD1-CD1 4.44Å; I435-Y467 HydrophobicContact CD1-CE1 4.14Å; I435-L486 HydrophobicContact CD1-CD2 4.04Å; I435-L486 HydrophobicContact CG1-CD2 4.19Å; I435-A489 HydrophobicContact CD1-CB 4.39Å; I435-A489 HydrophobicContact CG1-CB 4.2Å; I435-A489 HydrophobicContact CG2-CB 4.29Å; I435-L493 HydrophobicContact CG2-CD2 4.1Å; I435-L493 WeakPolarHBondContact O-CD2 3.26Å
436L97.3Very high94.7Very high16 Ų1659.6 Ų59.68%0.08432%0.32CS..Hα-helixtrans-60.2-17.2178.4-77.3171.1000114K432 E433 G438 R439 P440 A442 V447 L493K432-L436 HydrophobicContact CG-CD1 3.97Å; K432-L436 WeakPolarHBondContact O-CG 3.49Å; K432-L436 PolarHBondContact O-N 3.21Å; E433-L436 PolarHBondContact O-N 3.34Å; L436-G438 PolarHBondContact O-N 3.17Å; L436-G438 VanDerWaalsContact O-N 3.14Å; L436-R439 CarbonylContact O-C 3.6Å; L436-R439 PolarHBondContact O-N 3.32Å; L436-P440 VanDerWaalsContact O-CA 3.26Å; L436-P440 WeakPolarHBondContact O-CA 3.47Å; L436-P440 WeakPolarHBondContact O-CD 3.19Å; L436-A442 HydrophobicContact CD2-CB 4.08Å; L436-V447 HydrophobicContact CD2-CG2 3.61Å; L436-V447 HydrophobicContact CG-CG2 3.98Å; L436-L493 HydrophobicContact CD2-CD2 4.49Å
437L93.1Very high95.1Very high87 Ų8759.7 Ų59.746%0.45532%0.32SS..THydrogen-bonded Turntrans-54.9-29169.7-64.7173.8000113.2F427 E433 I435F427-L437 HydrophobicContact CD2-CD1 3.48Å; F427-L437 VanDerWaalsContact CD2-CD1 3.48Å; F427-L437 HydrophobicContact CE2-CD1 3.77Å; E433-L437 PolarHBondContact O-N 3Å; I435-L437 PolarHBondContact O-N 3.43Å
438G92.1Very high95.5Very high15 Ų1556.1 Ų56.116%0.15531%0.308CS..SBendtrans-67.1-41.6174.900000112.8I435 L436 R490 N494I435-G438 PolarHBondContact O-N 2.84Å; L436-G438 PolarHBondContact O-N 3.17Å; L436-G438 VanDerWaalsContact O-N 3.14Å; G438-R490 WeakPolarHBondContact CA-O 3.4Å; G438-N494 WeakPolarHBondContact O-CB 3.46Å; G438-N494 PolarHBondContact O-OD1 3.41Å
439R95Very high95.9Very high79 Ų7958.6 Ų58.630%0.29831%0.312SS..  trans-154.396177-176.2163.456.6117.80.2109.5L436 T441 A442 E446 L493L436-R439 CarbonylContact O-C 3.6Å; L436-R439 PolarHBondContact O-N 3.32Å; R439-T441 PolarHBondContact O-N 3.24Å; R439-A442 HydrophobicContact CB-CB 4.34Å; R439-A442 HydrophobicContact CG-CB 4.35Å; R439-A442 VanDerWaalsContact O-CB 3.27Å; R439-A442 WeakPolarHBondContact O-CB 3.38Å; R439-A442 PolarHBondContact O-N 3.46Å; R439-E446 IonicContact CZ-OE1 3.62Å; R439-E446 VanDerWaalsContact CZ-OE1 3.29Å; R439-E446 IonicContact CZ-OE2 3.85Å; R439-E446 IonicContact NH1-OE1 2.94Å; R439-E446 PolarHBondContact NH1-OE1 3.43Å; R439-E446 IonicContact NH1-OE2 3.64Å; R439-E446 IonicContact NH2-OE1 2.86Å; R439-E446 PolarHBondContact NH2-OE1 3.02Å; R439-E446 IonicContact NH2-OE2 3.48Å; R439-E446 PolarHBondContact NH2-OE2 2.91Å; R439-L493 HydrophobicContact CB-CD2 4.08Å; R439-L493 HydrophobicContact CB-CG 4.08Å; R439-L493 PolarHBondContact NE-O 3.41Å; R439-L493 PolarHBondContact NH2-O 2.93Å
440P94.5Very high96.1Very high107 Ų10754.6 Ų54.670%0.69529%0.291SS*.THydrogen-bonded Turntrans-63.7-17.3-171.9-2835.8000115.4L436L436-P440 VanDerWaalsContact O-CA 3.26Å; L436-P440 WeakPolarHBondContact O-CA 3.47Å; L436-P440 WeakPolarHBondContact O-CD 3.19Å
441T94.3Very high96.2Very high121 Ų12153.4 Ų53.474%0.74228%0.283SS*.THydrogen-bonded Turntrans-91.51.7178.959.50000113.3R439R439-T441 PolarHBondContact O-N 3.24Å
442A96.2Very high96.2Very high11 Ų1159 Ų599%0.09131%0.308CS..  trans-69.6149.3-177.400000111.8L436 R439 E446 L493L436-A442 HydrophobicContact CD2-CB 4.08Å; R439-A442 HydrophobicContact CB-CB 4.34Å; R439-A442 HydrophobicContact CG-CB 4.35Å; R439-A442 VanDerWaalsContact O-CB 3.27Å; R439-A442 WeakPolarHBondContact O-CB 3.38Å; R439-A442 PolarHBondContact O-N 3.46Å; A442-E446 WeakPolarHBondContact CA-OE2 3.36Å; A442-E446 HydrophobicContact CB-CB 4.19Å; A442-E446 WeakPolarHBondContact CB-OE2 3.33Å; A442-L493 HydrophobicContact CB-CD1 3.7Å; A442-L493 HydrophobicContact CB-CD2 3.86Å; A442-L493 HydrophobicContact CB-CG 3.97Å
443T96.9Very high96.2Very high71 Ų7160.8 Ų60.844%0.43632%0.318SS..  trans-78.3161.517670.50000111.2E445 E446 V447T443-E445 PolarHBondContact O-N 3.42Å; T443-E446 PolarHBondContact N-OE2 3.46Å; T443-E446 PolarHBondContact O-N 3.25Å; T443-E446 VanDerWaalsContact O-N 3.14Å; T443-E446 WeakPolarHBondContact OG1-CG 3.26Å; T443-E446 PolarHBondContact OG1-N 2.73Å; T443-V447 WeakPolarHBondContact O-CG2 3.48Å; T443-V447 PolarHBondContact O-N 3.03Å
444D96.3Very high96.1Very high96 Ų9656.4 Ų56.451%0.51330%0.297SS..Hα-helixtrans-57.8-33175.4-70.116.3000112K432 V447 V448K432-D444 WeakPolarHBondContact CE-OD1 3.35Å; K432-D444 IonicContact NZ-OD1 3.83Å; K432-D444 PolarHBondContact NZ-OD1 3.37Å; K432-D444 IonicContact NZ-OD2 3.72Å; K432-D444 PolarHBondContact NZ-OD2 3.48Å; D444-V447 PolarHBondContact O-N 2.72Å; D444-V448 WeakPolarHBondContact O-CG2 3.18Å; D444-V448 PolarHBondContact O-N 3.23Å
445E97.3Very high96.1Very high160 Ų16058.8 Ų58.875%0.74831%0.31SS*.Hα-helixtrans-66.4-46.1176.2-64.1177.7174.700111.6T443 V447 V448 E449T443-E445 PolarHBondContact O-N 3.42Å; E445-V447 VanDerWaalsContact C-N 3.3Å; E445-V447 PolarHBondContact O-N 2.93Å; E445-V448 PolarHBondContact O-N 3.04Å; E445-E449 PolarHBondContact O-N 2.86Å
446E97.4Very high96Very high57 Ų5758.8 Ų58.827%0.26631%0.31SS..Hα-helixtrans-63.2-36.4176-68.5175.612300111.4R439 A442 T443 E449 A450 L493R439-E446 IonicContact CZ-OE1 3.62Å; R439-E446 VanDerWaalsContact CZ-OE1 3.29Å; R439-E446 IonicContact CZ-OE2 3.85Å; R439-E446 IonicContact NH1-OE1 2.94Å; R439-E446 PolarHBondContact NH1-OE1 3.43Å; R439-E446 IonicContact NH1-OE2 3.64Å; R439-E446 IonicContact NH2-OE1 2.86Å; R439-E446 PolarHBondContact NH2-OE1 3.02Å; R439-E446 IonicContact NH2-OE2 3.48Å; R439-E446 PolarHBondContact NH2-OE2 2.91Å; A442-E446 WeakPolarHBondContact CA-OE2 3.36Å; A442-E446 HydrophobicContact CB-CB 4.19Å; A442-E446 WeakPolarHBondContact CB-OE2 3.33Å; T443-E446 PolarHBondContact N-OE2 3.46Å; T443-E446 PolarHBondContact O-N 3.25Å; T443-E446 VanDerWaalsContact O-N 3.14Å; T443-E446 WeakPolarHBondContact OG1-CG 3.26Å; T443-E446 PolarHBondContact OG1-N 2.73Å; E446-E449 PolarHBondContact O-N 3.41Å; E446-A450 WeakPolarHBondContact O-CB 3.37Å; E446-A450 PolarHBondContact O-N 2.91Å; E446-L493 HydrophobicContact CB-CD1 3.93Å; E446-L493 WeakPolarHBondContact O-CD1 3.2Å
447V97.6Very high96Very high2 Ų259.9 Ų59.91%0.01232%0.315CS..Hα-helixtrans-63.7-43.9174.5170.20000111.2I435 L436 T443 D444 E445 A451 Y467 L493I435-V447 HydrophobicContact CB-CG1 4.2Å; I435-V447 HydrophobicContact CD1-CG1 4.15Å; I435-V447 HydrophobicContact CG2-CG1 3.95Å; L436-V447 HydrophobicContact CD2-CG2 3.61Å; L436-V447 HydrophobicContact CG-CG2 3.98Å; T443-V447 WeakPolarHBondContact O-CG2 3.48Å; T443-V447 PolarHBondContact O-N 3.03Å; D444-V447 PolarHBondContact O-N 2.72Å; E445-V447 VanDerWaalsContact C-N 3.3Å; E445-V447 PolarHBondContact O-N 2.93Å; V447-A451 VanDerWaalsContact O-CB 3.31Å; V447-A451 WeakPolarHBondContact O-CB 3.43Å; V447-A451 PolarHBondContact O-N 2.92Å; V447-Y467 HydrophobicContact CG1-CD1 4.16Å; V447-Y467 HydrophobicContact CG1-CE1 4.07Å; V447-L493 HydrophobicContact CG2-CD1 4.36Å; V447-L493 HydrophobicContact CG2-CD2 4.36Å
448V97.9Very high96.1Very high41 Ų4161.3 Ų61.325%0.24832%0.323CS..Hα-helixtrans-65.8-41.7177.3170.80000111D444 E445 A451 K452 Y467D444-V448 WeakPolarHBondContact O-CG2 3.18Å; D444-V448 PolarHBondContact O-N 3.23Å; E445-V448 PolarHBondContact O-N 3.04Å; V448-A451 PolarHBondContact O-N 3.26Å; V448-K452 HydrophobicContact CG1-CD 4.28Å; V448-K452 WeakPolarHBondContact O-CG 3.3Å; V448-K452 PolarHBondContact O-N 3.47Å; V448-Y467 HydrophobicContact CG2-CE1 4.44Å; V448-Y467 HydrophobicContact CG2-CE2 3.98Å
449E97.4Very high96.3Very high120 Ų12061.4 Ų61.456%0.56132%0.319SS*.Hα-helixtrans-61.4-50.2176.5-174.4177.3-16700111.6E445 E446 A451 K452 M453E445-E449 PolarHBondContact O-N 2.86Å; E446-E449 PolarHBondContact O-N 3.41Å; E449-A451 VanDerWaalsContact C-N 3.27Å; E449-A451 PolarHBondContact O-N 3.27Å; E449-K452 WeakPolarHBondContact O-CB 3.39Å; E449-K452 PolarHBondContact O-N 3.14Å; E449-M453 WeakPolarHBondContact O-CG 3.36Å; E449-M453 PolarHBondContact O-N 3.36Å
450A96.9Very high96.4Very high4 Ų457.6 Ų57.63%0.03331%0.305CS..Hα-helixtrans-59.2-39.317700000112.1E446 M453 A454 F492 L493E446-A450 WeakPolarHBondContact O-CB 3.37Å; E446-A450 PolarHBondContact O-N 2.91Å; A450-M453 PolarHBondContact O-N 3.32Å; A450-A454 WeakPolarHBondContact O-CB 3.21Å; A450-A454 PolarHBondContact O-N 3.38Å; A450-F492 HydrophobicContact CB-CB 3.99Å; A450-L493 HydrophobicContact CB-CB 3.88Å; A450-L493 HydrophobicContact CB-CD1 3.95Å
451A97.3Very high96.5Very high0 Ų057.5 Ų57.50%030%0.296CS..Hα-helixtrans-67.1-34.217500000113I435 V447 V448 E449 N455 A456 H457 I460 Y467I435-A451 HydrophobicContact CD1-CB 4.24Å; V447-A451 VanDerWaalsContact O-CB 3.31Å; V447-A451 WeakPolarHBondContact O-CB 3.43Å; V447-A451 PolarHBondContact O-N 2.92Å; V448-A451 PolarHBondContact O-N 3.26Å; E449-A451 VanDerWaalsContact C-N 3.27Å; E449-A451 PolarHBondContact O-N 3.27Å; A451-N455 PolarHBondContact O-N 3.13Å; A451-A456 HydrophobicContact CB-CB 4.33Å; A451-A456 WeakPolarHBondContact O-CA 3.31Å; A451-A456 WeakPolarHBondContact O-CB 3.39Å; A451-A456 PolarHBondContact O-N 3.42Å; A451-H457 PolarHBondContact O-N 3.06Å; A451-H457 VanDerWaalsContact O-N 3.14Å; A451-I460 HydrophobicContact CB-CD1 4.05Å; A451-Y467 HydrophobicContact CB-CE1 3.95Å; A451-Y467 WeakPolarHBondContact CB-OH 3.34Å
452K97.5Very high96.6Very high117 Ų11758.6 Ų58.651%0.50930%0.297SS..Hα-helixtrans-67.9-46.2174-75.2174179177.90111.2V448 E449 A454 N455 H457V448-K452 HydrophobicContact CG1-CD 4.28Å; V448-K452 WeakPolarHBondContact O-CG 3.3Å; V448-K452 PolarHBondContact O-N 3.47Å; E449-K452 WeakPolarHBondContact O-CB 3.39Å; E449-K452 PolarHBondContact O-N 3.14Å; K452-A454 PolarHBondContact O-N 3.26Å; K452-N455 PolarHBondContact O-N 3.45Å; K452-H457 HydrophobicContact CB-CB 4.46Å; K452-H457 HydrophobicContact CG-CB 3.61Å
453M95.7Very high96.5Very high79 Ų7959.5 Ų59.539%0.38930%0.3SS..Hα-helixtrans-60.6-32.6176.5-64.7-178.678.500112.6E449 A450 N455 F492 V522E449-M453 WeakPolarHBondContact O-CG 3.36Å; E449-M453 PolarHBondContact O-N 3.36Å; A450-M453 PolarHBondContact O-N 3.32Å; M453-N455 PolarHBondContact O-N 2.87Å; M453-F492 HydrophobicContact CB-CD1 3.9Å; M453-F492 HydrophobicContact CB-CD2 3.9Å; M453-F492 HydrophobicContact CB-CE1 3.98Å; M453-F492 HydrophobicContact CB-CE2 3.95Å; M453-F492 HydrophobicContact CB-CG 3.86Å; M453-F492 HydrophobicContact CB-CZ 3.98Å; M453-F492 HydrophobicContact CE-CD1 3.63Å; M453-F492 HydrophobicContact CE-CE1 3.59Å; M453-F492 WeakPolarHBondContact O-CE2 3.37Å; M453-F492 HydrophobicContact SD-CD1 3.93Å; M453-F492 HydrophobicContact SD-CE1 4.39Å; M453-F492 HydrophobicContact SD-CG 4.44Å; M453-V522 HydrophobicContact CE-CG1 4.34Å
454A94.7Very high96.3Very high0 Ų062.1 Ų62.10%032%0.319CS..THydrogen-bonded Turntrans-82.37.7174.900000114.5A450 K452 A456 R485 I488 A489 F492A450-A454 WeakPolarHBondContact O-CB 3.21Å; A450-A454 PolarHBondContact O-N 3.38Å; K452-A454 PolarHBondContact O-N 3.26Å; A454-A456 HydrophobicContact CB-CB 4.26Å; A454-A456 PolarHBondContact O-N 2.69Å; A454-A456 VanDerWaalsContact O-N 3.08Å; A454-R485 WeakPolarHBondContact CB-O 3.42Å; A454-R485 WeakPolarHBondContact O-CG 3.49Å; A454-I488 HydrophobicContact CB-CB 4.31Å; A454-I488 HydrophobicContact CB-CG2 3.91Å; A454-A489 HydrophobicContact CB-CB 3.71Å; A454-F492 HydrophobicContact CB-CD2 3.95Å; A454-F492 HydrophobicContact CB-CE2 4.2Å
455N95.6Very high96.3Very high52 Ų5263.6 Ų63.628%0.27832%0.322SS..THydrogen-bonded Turntrans5230.1-172.9-70.6-31.4000113.3A451 K452 M453 R485 I515 E518A451-N455 PolarHBondContact O-N 3.13Å; K452-N455 PolarHBondContact O-N 3.45Å; M453-N455 PolarHBondContact O-N 2.87Å; N455-R485 VanDerWaalsContact O-CD 3.26Å; N455-R485 WeakPolarHBondContact O-CD 3.25Å; N455-R485 PolarHBondContact O-NH1 2.93Å; N455-I515 HydrophobicContact CB-CG2 3.42Å; N455-I515 VanDerWaalsContact CB-CG2 3.42Å; N455-I515 PolarHBondContact ND2-O 3.36Å; N455-E518 PolarHBondContact ND2-OE2 2.92Å
456A95.6Very high96.2Very high0 Ų056.6 Ų56.60%029%0.293CS..  trans-97.6-27-175.800000112.9A451 A454 D458 F459 I460 R485 L486A451-A456 HydrophobicContact CB-CB 4.33Å; A451-A456 WeakPolarHBondContact O-CA 3.31Å; A451-A456 WeakPolarHBondContact O-CB 3.39Å; A451-A456 PolarHBondContact O-N 3.42Å; A454-A456 HydrophobicContact CB-CB 4.26Å; A454-A456 PolarHBondContact O-N 2.69Å; A454-A456 VanDerWaalsContact O-N 3.08Å; A456-D458 PolarHBondContact O-N 2.84Å; A456-F459 VanDerWaalsContact CA-CE1 3.43Å; A456-F459 HydrophobicContact CB-CD1 4.24Å; A456-F459 HydrophobicContact CB-CE1 3.55Å; A456-F459 HydrophobicContact CB-CZ 4.27Å; A456-F459 WeakPolarHBondContact O-CD1 3.48Å; A456-F459 WeakPolarHBondContact O-CE1 3.37Å; A456-F459 PolarHBondContact O-N 3.39Å; A456-I460 HydrophobicContact CB-CD1 3.8Å; A456-I460 WeakPolarHBondContact O-CD1 3.47Å; A456-I460 WeakPolarHBondContact O-CG1 3.33Å; A456-I460 PolarHBondContact O-N 3.15Å; A456-I460 VanDerWaalsContact O-N 3.09Å; A456-R485 HydrophobicContact CB-CB 4.06Å; A456-L486 HydrophobicContact CB-CD2 4.44Å
457H97.3Very high96.2Very high39 Ų3955.2 Ų55.218%0.18129%0.286CS..Hα-helixtrans-51.6-49.5-172-17767.2000113.8A451 K452 F459 I460 M461 Y467A451-H457 PolarHBondContact O-N 3.06Å; A451-H457 VanDerWaalsContact O-N 3.14Å; K452-H457 HydrophobicContact CB-CB 4.46Å; K452-H457 HydrophobicContact CG-CB 3.61Å; H457-F459 PolarHBondContact O-N 3Å; H457-I460 WeakPolarHBondContact O-CB 3.37Å; H457-I460 PolarHBondContact O-N 3.08Å; H457-I460 VanDerWaalsContact O-N 3.17Å; H457-M461 WeakPolarHBondContact O-CG 3.49Å; H457-M461 PolarHBondContact O-N 3.45Å; H457-Y467 AromaticContact ND1-CE2 3.78Å; H457-Y467 AromaticContact ND1-CZ 3.76Å; H457-Y467 PolarHBondContact ND1-OH 2.69Å
458D95.3Very high96.1Very high117 Ų11759.6 Ų59.663%0.62631%0.309SS*.Hα-helixtrans-65.4-42.7-172.9-61.8-21000112.5A456 I460 M461 N462A456-D458 PolarHBondContact O-N 2.84Å; D458-I460 VanDerWaalsContact C-N 3.31Å; D458-I460 PolarHBondContact O-N 3.14Å; D458-M461 PolarHBondContact O-N 3.32Å; D458-N462 VanDerWaalsContact O-CG 3.3Å; D458-N462 PolarHBondContact O-N 3.14Å; D458-N462 VanDerWaalsContact O-N 3.17Å; D458-N462 PolarHBondContact O-ND2 3.27Å
459F94.7Very high96Very high16 Ų1658.4 Ų58.47%0.0730%0.302CS..Hα-helixtrans-70.1-34177.288.9-103.9000111.2A456 H457 M461 N462 L463 L478 Q482 R485 L486A456-F459 VanDerWaalsContact CA-CE1 3.43Å; A456-F459 HydrophobicContact CB-CD1 4.24Å; A456-F459 HydrophobicContact CB-CE1 3.55Å; A456-F459 HydrophobicContact CB-CZ 4.27Å; A456-F459 WeakPolarHBondContact O-CD1 3.48Å; A456-F459 WeakPolarHBondContact O-CE1 3.37Å; A456-F459 PolarHBondContact O-N 3.39Å; H457-F459 PolarHBondContact O-N 3Å; F459-M461 VanDerWaalsContact C-N 3.34Å; F459-N462 PolarHBondContact O-N 3.41Å; F459-L463 PolarHBondContact O-N 3.35Å; F459-L478 HydrophobicContact CE2-CD2 4.41Å; F459-Q482 HydrophobicContact CD1-CG 4.09Å; F459-Q482 HydrophobicContact CD2-CB 4.2Å; F459-Q482 HydrophobicContact CD2-CG 3.6Å; F459-Q482 HydrophobicContact CE1-CB 4.25Å; F459-Q482 HydrophobicContact CE1-CG 4.13Å; F459-Q482 HydrophobicContact CE2-CB 3.75Å; F459-Q482 HydrophobicContact CE2-CG 3.69Å; F459-Q482 HydrophobicContact CG-CG 3.83Å; F459-Q482 HydrophobicContact CZ-CB 3.77Å; F459-Q482 HydrophobicContact CZ-CG 3.95Å; F459-R485 VanDerWaalsContact CD1-CZ 3.46Å; F459-R485 HydrophobicContact CE1-CB 4.07Å; F459-L486 HydrophobicContact CZ-CD2 3.81Å; F459-L486 HydrophobicContact CZ-CG 3.94Å
460I97.1Very high95.9Very high0 Ų057.9 Ų57.90%030%0.3CS..Hα-helixtrans-62.4-45.8176.7-66.5166.6000109.3V431 I435 A451 A456 H457 D458 N462 L463 G466 Y467 L486V431-I460 HydrophobicContact CG1-CD1 3.76Å; V431-I460 HydrophobicContact CG1-CG1 3.88Å; V431-I460 HydrophobicContact CG1-CG2 4.03Å; I435-I460 HydrophobicContact CD1-CD1 4.19Å; A451-I460 HydrophobicContact CB-CD1 4.05Å; A456-I460 HydrophobicContact CB-CD1 3.8Å; A456-I460 WeakPolarHBondContact O-CD1 3.47Å; A456-I460 WeakPolarHBondContact O-CG1 3.33Å; A456-I460 PolarHBondContact O-N 3.15Å; A456-I460 VanDerWaalsContact O-N 3.09Å; H457-I460 WeakPolarHBondContact O-CB 3.37Å; H457-I460 PolarHBondContact O-N 3.08Å; H457-I460 VanDerWaalsContact O-N 3.17Å; D458-I460 VanDerWaalsContact C-N 3.31Å; D458-I460 PolarHBondContact O-N 3.14Å; I460-N462 PolarHBondContact O-N 3.17Å; I460-L463 VanDerWaalsContact O-CB 3.23Å; I460-L463 WeakPolarHBondContact O-CB 3.48Å; I460-L463 WeakPolarHBondContact O-CG 3.49Å; I460-L463 PolarHBondContact O-N 2.94Å; I460-G466 VanDerWaalsContact O-CA 3.26Å; I460-G466 WeakPolarHBondContact O-CA 3.32Å; I460-Y467 HydrophobicContact CD1-CD1 4.49Å; I460-Y467 HydrophobicContact CD1-CE1 3.9Å; I460-Y467 HydrophobicContact CG2-CD1 3.86Å; I460-Y467 HydrophobicContact CG2-CD2 3.72Å; I460-Y467 HydrophobicContact CG2-CE1 4.01Å; I460-Y467 HydrophobicContact CG2-CE2 3.85Å; I460-Y467 HydrophobicContact CG2-CG 3.72Å; I460-L486 HydrophobicContact CD1-CD2 3.75Å; I460-L486 HydrophobicContact CG1-CD2 4.2Å
461M97.3Very high95.6Very high105 Ų10557.8 Ų57.852%0.51730%0.298SS..Hα-helixtrans-64.8-24.6177.9-68.7-56.4-6200113.4H457 D458 F459 L463 Y467H457-M461 WeakPolarHBondContact O-CG 3.49Å; H457-M461 PolarHBondContact O-N 3.45Å; D458-M461 PolarHBondContact O-N 3.32Å; F459-M461 VanDerWaalsContact C-N 3.34Å; M461-L463 VanDerWaalsContact C-N 3.29Å; M461-Y467 HydrophobicContact SD-CD2 4.22Å; M461-Y467 HydrophobicContact SD-CE2 4.03Å
462N95.6Very high95.2Very high143 Ų14358.2 Ų58.277%0.76530%0.303SS*.THydrogen-bonded Turntrans-79.7-7.7173.1-69.4-28.4000113.7D458 F459 I460D458-N462 VanDerWaalsContact O-CG 3.3Å; D458-N462 PolarHBondContact O-N 3.14Å; D458-N462 VanDerWaalsContact O-N 3.17Å; D458-N462 PolarHBondContact O-ND2 3.27Å; F459-N462 PolarHBondContact O-N 3.41Å; I460-N462 PolarHBondContact O-N 3.17Å
463L95.2Very high94.5Very high30 Ų3058.4 Ų58.416%0.15731%0.306CS..SBendtrans-74.1152.3173.5-61174.3000110.8V431 F459 I460 M461 Q465 G466 T469 L478V431-L463 HydrophobicContact CG2-CD1 3.76Å; F459-L463 PolarHBondContact O-N 3.35Å; I460-L463 VanDerWaalsContact O-CB 3.23Å; I460-L463 WeakPolarHBondContact O-CB 3.48Å; I460-L463 WeakPolarHBondContact O-CG 3.49Å; I460-L463 PolarHBondContact O-N 2.94Å; M461-L463 VanDerWaalsContact C-N 3.29Å; L463-Q465 PolarHBondContact O-N 2.88Å; L463-G466 PolarHBondContact O-N 2.94Å; L463-T469 HydrophobicContact CB-CG2 4.06Å; L463-T469 VanDerWaalsContact CB-OG1 3.22Å; L463-T469 WeakPolarHBondContact CB-OG1 3.44Å; L463-T469 HydrophobicContact CD1-CG2 4.19Å; L463-L478 HydrophobicContact CD1-CD2 4.34Å; L463-L478 HydrophobicContact CD2-CD2 4.12Å
464P92.6Very high93.8Very high126 Ų12659.7 Ų59.782%0.81831%0.307SS*.THydrogen-bonded Turntrans-54.1-28.7-174.8-28.235.2000115.7
465Q95.4Very high93.2Very high127 Ų12759.7 Ų59.759%0.59331%0.307SS*.THydrogen-bonded Turntrans-126.521.2-179.9-64.6175.4-11.600111.9L463 Y467 D468 T469L463-Q465 PolarHBondContact O-N 2.88Å; Q465-Y467 PolarHBondContact O-N 3.49Å; Q465-D468 HydrophobicContact CB-CB 4.39Å; Q465-D468 PolarHBondContact O-N 2.92Å; Q465-D468 PolarHBondContact OE1-O 2.87Å; Q465-T469 VanDerWaalsContact C-OG1 3.27Å; Q465-T469 WeakPolarHBondContact CA-OG1 3.31Å; Q465-T469 PolarHBondContact N-OG1 3.38Å; Q465-T469 VanDerWaalsContact N-OG1 3.07Å
466G95.9Very high92.6Very high13 Ų1362.5 Ų62.513%0.13433%0.325CS..G310 helixtrans56.2-131.1-178.600000112.2I460 L463 D468 T469I460-G466 VanDerWaalsContact O-CA 3.26Å; I460-G466 WeakPolarHBondContact O-CA 3.32Å; L463-G466 PolarHBondContact O-N 2.94Å; G466-D468 PolarHBondContact O-N 2.78Å; G466-T469 PolarHBondContact N-OG1 2.83Å; G466-T469 VanDerWaalsContact O-CB 3.29Å; G466-T469 WeakPolarHBondContact O-CB 3.36Å; G466-T469 PolarHBondContact O-N 2.74Å; G466-T469 PolarHBondContact O-OG1 3.49Å
467Y97Very high92.2Very high29 Ų2968.8 Ų68.811%0.11435%0.353CS..G310 helixtrans-62.9-24.6176.1-76.9-89.3000114.4V431 K432 I435 V447 V448 A451 H457 I460 M461 Q465 T469V431-Y467 WeakPolarHBondContact CB-O 3.29Å; V431-Y467 HydrophobicContact CG1-CD1 4.41Å; V431-Y467 PolarHBondContact N-O 3.43Å; K432-Y467 WeakPolarHBondContact CB-O 3.38Å; K432-Y467 PolarHBondContact N-O 3.25Å; I435-Y467 HydrophobicContact CD1-CD1 4.44Å; I435-Y467 HydrophobicContact CD1-CE1 4.14Å; V447-Y467 HydrophobicContact CG1-CD1 4.16Å; V447-Y467 HydrophobicContact CG1-CE1 4.07Å; V448-Y467 HydrophobicContact CG2-CE1 4.44Å; V448-Y467 HydrophobicContact CG2-CE2 3.98Å; A451-Y467 HydrophobicContact CB-CE1 3.95Å; A451-Y467 WeakPolarHBondContact CB-OH 3.34Å; H457-Y467 AromaticContact ND1-CE2 3.78Å; H457-Y467 AromaticContact ND1-CZ 3.76Å; H457-Y467 PolarHBondContact ND1-OH 2.69Å; I460-Y467 HydrophobicContact CD1-CD1 4.49Å; I460-Y467 HydrophobicContact CD1-CE1 3.9Å; I460-Y467 HydrophobicContact CG2-CD1 3.86Å; I460-Y467 HydrophobicContact CG2-CD2 3.72Å; I460-Y467 HydrophobicContact CG2-CE1 4.01Å; I460-Y467 HydrophobicContact CG2-CE2 3.85Å; I460-Y467 HydrophobicContact CG2-CG 3.72Å; M461-Y467 HydrophobicContact SD-CD2 4.22Å; M461-Y467 HydrophobicContact SD-CE2 4.03Å; Q465-Y467 PolarHBondContact O-N 3.49Å; Y467-T469 VanDerWaalsContact C-N 3.25Å; Y467-T469 PolarHBondContact O-N 2.91Å
468D96.8Very high91.8Very high94 Ų9467.6 Ų67.650%0.50335%0.347SS..G310 helixtrans-85.50.8179.4-62.6-45.7000112.5T430 Q465 G466 E470T430-D468 VanDerWaalsContact CG2-O 3.25Å; T430-D468 WeakPolarHBondContact CG2-O 3.27Å; Q465-D468 HydrophobicContact CB-CB 4.39Å; Q465-D468 PolarHBondContact O-N 2.92Å; Q465-D468 PolarHBondContact OE1-O 2.87Å; G466-D468 PolarHBondContact O-N 2.78Å; D468-E470 PolarHBondContact O-N 3.38Å
469T96.1Very high91.5Very high16 Ų1664.8 Ų64.810%0.09834%0.337CS..  trans-65.5121.8177.6-54.30000111.1T430 V431 L463 Q465 G466 Y467 V471T430-T469 CarbonylContact C-O 3.49Å; T430-T469 WeakPolarHBondContact CA-O 3.43Å; V431-T469 PolarHBondContact N-O 3.25Å; L463-T469 HydrophobicContact CB-CG2 4.06Å; L463-T469 VanDerWaalsContact CB-OG1 3.22Å; L463-T469 WeakPolarHBondContact CB-OG1 3.44Å; L463-T469 HydrophobicContact CD1-CG2 4.19Å; Q465-T469 VanDerWaalsContact C-OG1 3.27Å; Q465-T469 WeakPolarHBondContact CA-OG1 3.31Å; Q465-T469 PolarHBondContact N-OG1 3.38Å; Q465-T469 VanDerWaalsContact N-OG1 3.07Å; G466-T469 PolarHBondContact N-OG1 2.83Å; G466-T469 VanDerWaalsContact O-CB 3.29Å; G466-T469 WeakPolarHBondContact O-CB 3.36Å; G466-T469 PolarHBondContact O-N 2.74Å; G466-T469 PolarHBondContact O-OG1 3.49Å; Y467-T469 VanDerWaalsContact C-N 3.25Å; Y467-T469 PolarHBondContact O-N 2.91Å; T469-V471 PolarHBondContact O-N 2.84Å
470E94.9Very high91.2Very high109 Ų10966.1 Ų66.151%0.50936%0.355SS..BIsolated β-bridgetrans-70.2121.7171-68.7-177.9-179.700112.2D429 T430 D468 G472 K477D429-E470 WeakPolarHBondContact O-CA 3.39Å; T430-E470 HydrophobicContact CG2-CG 4.41Å; D468-E470 PolarHBondContact O-N 3.38Å; E470-G472 VanDerWaalsContact C-N 3.32Å; E470-G472 PolarHBondContact O-N 2.96Å; E470-K477 WeakPolarHBondContact O-CD 2.76Å; E470-K477 PolarHBondContact O-NZ 2.99Å
471V90.9Very high90.9Very high1 Ų166.2 Ų66.21%0.00636%0.356CS..  trans-79.4-14.7-175.3-56.30000113.8L426 F427 D429 V431 T469 G475 V476 K477 L478L426-V471 HydrophobicContact CB-CG2 3.96Å; L426-V471 HydrophobicContact CD1-CB 4.47Å; L426-V471 HydrophobicContact CD1-CG2 4.23Å; F427-V471 VanDerWaalsContact O-CG2 3.27Å; F427-V471 WeakPolarHBondContact O-CG2 3.29Å; D429-V471 PolarHBondContact O-N 3.46Å; V431-V471 HydrophobicContact CG2-CG1 3.53Å; T469-V471 PolarHBondContact O-N 2.84Å; V471-G475 CarbonylContact O-C 3.52Å; V471-G475 WeakPolarHBondContact O-CA 3.44Å; V471-V476 PolarHBondContact O-N 2.79Å; V471-K477 WeakPolarHBondContact O-CB 3.11Å; V471-K477 WeakPolarHBondContact O-CG 3.49Å; V471-K477 PolarHBondContact O-N 3.49Å; V471-L478 HydrophobicContact CB-CD1 4.08Å; V471-L478 HydrophobicContact CB-CG 4.37Å; V471-L478 HydrophobicContact CG1-CD1 3.64Å; V471-L478 HydrophobicContact CG1-CG 4.24Å
472G87.8Confident90.7Very high10 Ų1063.1 Ų63.110%0.10334%0.34CS..  trans76.7175.5-175.600000113.6E470 R474 G475E470-G472 VanDerWaalsContact C-N 3.32Å; E470-G472 PolarHBondContact O-N 2.96Å; G472-R474 PolarHBondContact O-N 3.46Å; G472-G475 PolarHBondContact O-N 3.22Å
473E82.2Confident90.5Very high121 Ų12158.4 Ų58.457%0.56531%0.313SS*.G310 helixtrans-54.7126.1179.8-172.6177.7-178.900111.1G475 V476E473-G475 PolarHBondContact O-N 3.31Å; E473-V476 VanDerWaalsContact O-CG1 3.26Å; E473-V476 WeakPolarHBondContact O-CG1 3.45Å; E473-V476 WeakPolarHBondContact O-CG2 3.4Å; E473-V476 PolarHBondContact O-N 3.49Å
474R81.2Confident90.3Very high106 Ų10657.5 Ų57.540%0.431%0.308SS..G310 helixtrans53.723.4-176.5-62-178174.5170.60.7114.2L426 G472 V476 K483L426-R474 WeakPolarHBondContact O-CA 3.48Å; L426-R474 PolarHBondContact O-N 3.07Å; G472-R474 PolarHBondContact O-N 3.46Å; R474-V476 VanDerWaalsContact C-N 3.31Å; R474-V476 PolarHBondContact O-N 3.36Å; R474-K483 PolarHBondContact O-NZ 3.46Å
475G82.7Confident90.3Very high0 Ų052.9 Ų52.90%027%0.274CS..G310 helixtrans63.232.6-179.700000114V471 G472 E473 K477 L478 K483V471-G475 CarbonylContact O-C 3.52Å; V471-G475 WeakPolarHBondContact O-CA 3.44Å; G472-G475 PolarHBondContact O-N 3.22Å; E473-G475 PolarHBondContact O-N 3.31Å; G475-K477 PolarHBondContact O-N 2.91Å; G475-L478 PolarHBondContact O-N 2.91Å; G475-K483 WeakPolarHBondContact O-CE 3.36Å; G475-K483 PolarHBondContact O-NZ 3.46Å
476V83.1Confident90.3Very high110 Ų11046.9 Ų46.967%0.66725%0.246SC*.THydrogen-bonded Turntrans-53.8-21.2-177.6-75.70000114.8V471 E473 R474 L478V471-V476 PolarHBondContact O-N 2.79Å; E473-V476 VanDerWaalsContact O-CG1 3.26Å; E473-V476 WeakPolarHBondContact O-CG1 3.45Å; E473-V476 WeakPolarHBondContact O-CG2 3.4Å; E473-V476 PolarHBondContact O-N 3.49Å; R474-V476 VanDerWaalsContact C-N 3.31Å; R474-V476 PolarHBondContact O-N 3.36Å; V476-L478 VanDerWaalsContact C-N 3.3Å
477K86.1Confident90.1Very high133 Ų13346.4 Ų46.458%0.57824%0.241SC*.THydrogen-bonded Turntrans-80.8-7.5177-59.5-177.1-167.71650114E470 V471 G475E470-K477 WeakPolarHBondContact O-CD 2.76Å; E470-K477 PolarHBondContact O-NZ 2.99Å; V471-K477 WeakPolarHBondContact O-CB 3.11Å; V471-K477 WeakPolarHBondContact O-CG 3.49Å; V471-K477 PolarHBondContact O-N 3.49Å; G475-K477 PolarHBondContact O-N 2.91Å
478L90Very high90Very high13 Ų1345 Ų457%0.06824%0.236CC..SBendtrans-111.2144.8-176.6-61.2-177.3000111.3L426 F459 L463 V471 G475 V476 Q482 K483 L486L426-L478 HydrophobicContact CD1-CD1 3.71Å; F459-L478 HydrophobicContact CE2-CD2 4.41Å; L463-L478 HydrophobicContact CD1-CD2 4.34Å; L463-L478 HydrophobicContact CD2-CD2 4.12Å; V471-L478 HydrophobicContact CB-CD1 4.08Å; V471-L478 HydrophobicContact CB-CG 4.37Å; V471-L478 HydrophobicContact CG1-CD1 3.64Å; V471-L478 HydrophobicContact CG1-CG 4.24Å; G475-L478 PolarHBondContact O-N 2.91Å; V476-L478 VanDerWaalsContact C-N 3.3Å; L478-Q482 HydrophobicContact CB-CB 4.06Å; L478-Q482 HydrophobicContact CD2-CB 4.49Å; L478-K483 HydrophobicContact CB-CG 3.93Å; L478-K483 WeakPolarHBondContact O-CE 3.06Å; L478-L486 HydrophobicContact CD1-CD1 3.5Å; L478-L486 VanDerWaalsContact CD1-CD1 3.5Å
479S89.5Confident90Very high58 Ų5840.6 Ų40.641%0.40621%0.212SC..  trans-65.6159.7168.9630000111.6G481 Q482 K483S479-G481 VanDerWaalsContact C-N 3.34Å; S479-G481 PolarHBondContact O-N 2.79Å; S479-Q482 WeakPolarHBondContact O-CB 3.13Å; S479-Q482 PolarHBondContact O-N 2.89Å; S479-Q482 VanDerWaalsContact O-N 3.11Å; S479-Q482 WeakPolarHBondContact OG-CB 3.43Å; S479-Q482 WeakPolarHBondContact OG-CG 3.44Å; S479-Q482 PolarHBondContact OG-N 3.34Å; S479-Q482 PolarHBondContact OG-OE1 3.31Å; S479-K483 WeakPolarHBondContact O-CG 3.47Å; S479-K483 PolarHBondContact O-N 3.14Å
480G88.2Confident89.9Confident44 Ų4441.7 Ų41.745%0.45421%0.214SC..Hα-helixtrans-53.5-47.9177.900000112.8Q482 K483 Q484G480-Q482 VanDerWaalsContact C-N 3.31Å; G480-Q482 PolarHBondContact O-N 2.7Å; G480-K483 PolarHBondContact O-N 3.49Å; G480-Q484 PolarHBondContact O-N 3.1Å
481G90Very high89.9Confident2 Ų236.9 Ų36.92%0.02119%0.192CC..Hα-helixtrans-63.4-33.2178.100000113.7S479 R485S479-G481 VanDerWaalsContact C-N 3.34Å; S479-G481 PolarHBondContact O-N 2.79Å; G481-R485 WeakPolarHBondContact O-CG 3.49Å; G481-R485 PolarHBondContact O-N 3.12Å; G481-R485 VanDerWaalsContact O-N 3.11Å; G481-R485 PolarHBondContact O-NE 3.29Å
482Q92.5Very high90.2Very high40 Ų4037.5 Ų37.519%0.18719%0.194CC..Hα-helixtrans-68.2-43.8173.5-73.2167.3-32.300111.8F459 L478 S479 G480 Q484 R485 L486F459-Q482 HydrophobicContact CD1-CG 4.09Å; F459-Q482 HydrophobicContact CD2-CB 4.2Å; F459-Q482 HydrophobicContact CD2-CG 3.6Å; F459-Q482 HydrophobicContact CE1-CB 4.25Å; F459-Q482 HydrophobicContact CE1-CG 4.13Å; F459-Q482 HydrophobicContact CE2-CB 3.75Å; F459-Q482 HydrophobicContact CE2-CG 3.69Å; F459-Q482 HydrophobicContact CG-CG 3.83Å; F459-Q482 HydrophobicContact CZ-CB 3.77Å; F459-Q482 HydrophobicContact CZ-CG 3.95Å; L478-Q482 HydrophobicContact CB-CB 4.06Å; L478-Q482 HydrophobicContact CD2-CB 4.49Å; S479-Q482 WeakPolarHBondContact O-CB 3.13Å; S479-Q482 PolarHBondContact O-N 2.89Å; S479-Q482 VanDerWaalsContact O-N 3.11Å; S479-Q482 WeakPolarHBondContact OG-CB 3.43Å; S479-Q482 WeakPolarHBondContact OG-CG 3.44Å; S479-Q482 PolarHBondContact OG-N 3.34Å; S479-Q482 PolarHBondContact OG-OE1 3.31Å; G480-Q482 VanDerWaalsContact C-N 3.31Å; G480-Q482 PolarHBondContact O-N 2.7Å; Q482-Q484 VanDerWaalsContact C-N 3.29Å; Q482-Q484 PolarHBondContact O-N 2.81Å; Q482-R485 PolarHBondContact O-N 2.87Å; Q482-L486 WeakPolarHBondContact O-CG 3.47Å; Q482-L486 PolarHBondContact O-N 3.2Å
483K92.3Very high90.6Very high45 Ų4537.3 Ų37.320%0.19619%0.191CC..Hα-helixtrans-62-39.1176.6-59.6-175.5-151.3-1680112.1N424 L426 R474 G475 L478 S479 G480 L486 S487N424-K483 HydrophobicContact CB-CB 4.49Å; L426-K483 HydrophobicContact CD1-CB 4.18Å; L426-K483 HydrophobicContact CD1-CG 3.87Å; L426-K483 HydrophobicContact CG-CB 4.47Å; L426-K483 HydrophobicContact CG-CG 4.4Å; R474-K483 PolarHBondContact O-NZ 3.46Å; G475-K483 WeakPolarHBondContact O-CE 3.36Å; G475-K483 PolarHBondContact O-NZ 3.46Å; L478-K483 HydrophobicContact CB-CG 3.93Å; L478-K483 WeakPolarHBondContact O-CE 3.06Å; S479-K483 WeakPolarHBondContact O-CG 3.47Å; S479-K483 PolarHBondContact O-N 3.14Å; G480-K483 PolarHBondContact O-N 3.49Å; K483-L486 PolarHBondContact O-N 3.45Å; K483-S487 PolarHBondContact O-N 2.87Å; K483-S487 PolarHBondContact O-OG 3.39Å
484Q91.1Very high91.1Very high11 Ų1133 Ų335%0.05117%0.172CC..Hα-helixtrans-61.1-49.8176.4-156.871.718.700111.1N424 G480 Q482 L486 S487 I488 A504 I516N424-Q484 PolarHBondContact ND2-NE2 3.17Å; N424-Q484 VanDerWaalsContact ND2-NE2 3.14Å; N424-Q484 PolarHBondContact ND2-OE1 3.38Å; G480-Q484 PolarHBondContact O-N 3.1Å; Q482-Q484 VanDerWaalsContact C-N 3.29Å; Q482-Q484 PolarHBondContact O-N 2.81Å; Q484-L486 VanDerWaalsContact C-N 3.33Å; Q484-L486 PolarHBondContact O-N 3.41Å; Q484-S487 WeakPolarHBondContact O-CA 3.45Å; Q484-S487 WeakPolarHBondContact O-CB 3.46Å; Q484-S487 PolarHBondContact O-N 2.89Å; Q484-I488 HydrophobicContact CG-CD1 4.31Å; Q484-I488 WeakPolarHBondContact O-CG1 3.14Å; Q484-I488 PolarHBondContact O-N 3.48Å; Q484-A504 WeakPolarHBondContact CG-O 3.47Å; Q484-A504 PolarHBondContact NE2-O 3.3Å; Q484-I516 HydrophobicContact CB-CD1 3.65Å; Q484-I516 HydrophobicContact CB-CG1 4.48Å; Q484-I516 HydrophobicContact CG-CD1 3.89Å; Q484-I516 HydrophobicContact CG-CG1 4.47Å; Q484-I516 HydrophobicContact CG-CG2 4.26Å
485R93.4Very high91.7Very high29 Ų2932.8 Ų32.811%0.10918%0.179CC..Hα-helixtrans-61.1-38.3178.8-74.6-173.1-72.5-174.5-11.3112.8A454 N455 A456 F459 G481 Q482 S487 I488 A489 I516A454-R485 WeakPolarHBondContact CB-O 3.42Å; A454-R485 WeakPolarHBondContact O-CG 3.49Å; N455-R485 VanDerWaalsContact O-CD 3.26Å; N455-R485 WeakPolarHBondContact O-CD 3.25Å; N455-R485 PolarHBondContact O-NH1 2.93Å; A456-R485 HydrophobicContact CB-CB 4.06Å; F459-R485 VanDerWaalsContact CD1-CZ 3.46Å; F459-R485 HydrophobicContact CE1-CB 4.07Å; G481-R485 WeakPolarHBondContact O-CG 3.49Å; G481-R485 PolarHBondContact O-N 3.12Å; G481-R485 VanDerWaalsContact O-N 3.11Å; G481-R485 PolarHBondContact O-NE 3.29Å; Q482-R485 PolarHBondContact O-N 2.87Å; R485-S487 VanDerWaalsContact C-N 3.3Å; R485-S487 PolarHBondContact O-N 3.23Å; R485-I488 PolarHBondContact O-N 3.34Å; R485-A489 WeakPolarHBondContact O-CB 3.25Å; R485-A489 PolarHBondContact O-N 2.87Å; R485-I516 HydrophobicContact CG-CD1 4.22Å; R485-I516 HydrophobicContact CG-CG1 3.75Å
486L94.5Very high92.3Very high0 Ų033 Ų330%018%0.18CC..Hα-helixtrans-63.7-37.3172.2-66-174.8000112.3L426 V431 I435 A456 F459 I460 L478 Q482 K483 Q484 A489 R490L426-L486 HydrophobicContact CD1-CD1 3.78Å; L426-L486 HydrophobicContact CD2-CB 4.35Å; V431-L486 HydrophobicContact CG1-CD1 4.24Å; V431-L486 HydrophobicContact CG1-CD2 3.69Å; V431-L486 HydrophobicContact CG2-CD1 4.39Å; I435-L486 HydrophobicContact CD1-CD2 4.04Å; I435-L486 HydrophobicContact CG1-CD2 4.19Å; A456-L486 HydrophobicContact CB-CD2 4.44Å; F459-L486 HydrophobicContact CZ-CD2 3.81Å; F459-L486 HydrophobicContact CZ-CG 3.94Å; I460-L486 HydrophobicContact CD1-CD2 3.75Å; I460-L486 HydrophobicContact CG1-CD2 4.2Å; L478-L486 HydrophobicContact CD1-CD1 3.5Å; L478-L486 VanDerWaalsContact CD1-CD1 3.5Å; Q482-L486 WeakPolarHBondContact O-CG 3.47Å; Q482-L486 PolarHBondContact O-N 3.2Å; K483-L486 PolarHBondContact O-N 3.45Å; Q484-L486 VanDerWaalsContact C-N 3.33Å; Q484-L486 PolarHBondContact O-N 3.41Å; L486-A489 WeakPolarHBondContact O-CB 3.26Å; L486-A489 PolarHBondContact O-N 3.37Å; L486-R490 WeakPolarHBondContact O-CG 3.36Å; L486-R490 PolarHBondContact O-N 3.27Å; L486-R490 VanDerWaalsContact O-N 3.15Å
487S92.5Very high92.9Very high4 Ų429.6 Ų29.63%0.02816%0.16CC..Hα-helixtrans-69.9-37.5178.7-560000111.8N424 K483 Q484 R485 R490N424-S487 VanDerWaalsContact CB-OG 3.3Å; N424-S487 WeakPolarHBondContact CB-OG 3.45Å; N424-S487 WeakPolarHBondContact OD1-CB 3.43Å; N424-S487 PolarHBondContact OD1-OG 3.37Å; K483-S487 PolarHBondContact O-N 2.87Å; K483-S487 PolarHBondContact O-OG 3.39Å; Q484-S487 WeakPolarHBondContact O-CA 3.45Å; Q484-S487 WeakPolarHBondContact O-CB 3.46Å; Q484-S487 PolarHBondContact O-N 2.89Å; R485-S487 VanDerWaalsContact C-N 3.3Å; R485-S487 PolarHBondContact O-N 3.23Å; S487-R490 WeakPolarHBondContact O-CB 3.29Å; S487-R490 PolarHBondContact O-N 2.9Å
488I94Very high93.4Very high0 Ų023.3 Ų23.30%013%0.133CC..Hα-helixtrans-64-41.3170.9-68.1167.9000110.9V420 A454 Q484 R485 R490 I491 F492 I516 A519 L520 L523V420-I488 HydrophobicContact CG2-CG1 4.22Å; A454-I488 HydrophobicContact CB-CB 4.31Å; A454-I488 HydrophobicContact CB-CG2 3.91Å; Q484-I488 HydrophobicContact CG-CD1 4.31Å; Q484-I488 WeakPolarHBondContact O-CG1 3.14Å; Q484-I488 PolarHBondContact O-N 3.48Å; R485-I488 PolarHBondContact O-N 3.34Å; I488-R490 VanDerWaalsContact C-N 3.27Å; I488-R490 PolarHBondContact O-N 3.41Å; I488-I491 WeakPolarHBondContact O-CB 3.36Å; I488-I491 PolarHBondContact O-N 3.28Å; I488-F492 HydrophobicContact CG2-CD2 3.68Å; I488-F492 HydrophobicContact CG2-CE2 3.45Å; I488-F492 VanDerWaalsContact CG2-CE2 3.45Å; I488-F492 PolarHBondContact O-N 2.96Å; I488-I516 HydrophobicContact CD1-CG1 4.46Å; I488-I516 HydrophobicContact CD1-CG2 3.81Å; I488-A519 HydrophobicContact CG2-CB 4.33Å; I488-L520 HydrophobicContact CD1-CD2 3.84Å; I488-L520 HydrophobicContact CD1-CG 4.12Å; I488-L520 HydrophobicContact CG1-CD2 4.1Å; I488-L523 HydrophobicContact CG2-CD2 4.3Å
489A96.1Very high93.6Very high0 Ų022.7 Ų22.70%013%0.13CC..Hα-helixtrans-59.2-36.3175.900000112.6I435 A454 R485 L486 I491 F492 L493I435-A489 HydrophobicContact CD1-CB 4.39Å; I435-A489 HydrophobicContact CG1-CB 4.2Å; I435-A489 HydrophobicContact CG2-CB 4.29Å; A454-A489 HydrophobicContact CB-CB 3.71Å; R485-A489 WeakPolarHBondContact O-CB 3.25Å; R485-A489 PolarHBondContact O-N 2.87Å; L486-A489 WeakPolarHBondContact O-CB 3.26Å; L486-A489 PolarHBondContact O-N 3.37Å; A489-I491 PolarHBondContact O-N 2.95Å; A489-F492 PolarHBondContact O-N 3.01Å; A489-L493 WeakPolarHBondContact O-CB 3.45Å; A489-L493 PolarHBondContact O-N 3.33Å
490R95.3Very high93.9Very high39 Ų3919.9 Ų19.915%0.14711%0.11CC..Hα-helixtrans-57.1-38.7173-63.9167.3-179.4167.7-9.9111.6I425 N434 G438 L486 S487 I488 N494I425-R490 PolarHBondContact O-NH1 3.01Å; I425-R490 PolarHBondContact O-NH2 3.47Å; N434-R490 WeakPolarHBondContact O-CG 3.46Å; N434-R490 PolarHBondContact O-NE 3.04Å; N434-R490 PolarHBondContact OD1-NH2 2.88Å; G438-R490 WeakPolarHBondContact CA-O 3.4Å; L486-R490 WeakPolarHBondContact O-CG 3.36Å; L486-R490 PolarHBondContact O-N 3.27Å; L486-R490 VanDerWaalsContact O-N 3.15Å; S487-R490 WeakPolarHBondContact O-CB 3.29Å; S487-R490 PolarHBondContact O-N 2.9Å; I488-R490 VanDerWaalsContact C-N 3.27Å; I488-R490 PolarHBondContact O-N 3.41Å; R490-N494 PolarHBondContact O-N 2.91Å; R490-N494 VanDerWaalsContact O-N 3.15Å
491I94.9Very high94.1Very high8 Ų818 Ų184%0.0419%0.09CC..Hα-helixtrans-77.7-40.4-177.8-56.3179000111.1V420 I488 A489 L493 N494 N495 P496 L499 L523V420-I491 HydrophobicContact CB-CD1 4.37Å; V420-I491 HydrophobicContact CG2-CD1 3.19Å; I488-I491 WeakPolarHBondContact O-CB 3.36Å; I488-I491 PolarHBondContact O-N 3.28Å; A489-I491 PolarHBondContact O-N 2.95Å; I491-L493 VanDerWaalsContact C-N 3.25Å; I491-L493 PolarHBondContact O-N 2.84Å; I491-N494 PolarHBondContact O-N 2.75Å; I491-N495 WeakPolarHBondContact O-CA 3.39Å; I491-N495 PolarHBondContact O-N 3.37Å; I491-P496 HydrophobicContact CG2-CG 3.69Å; I491-P496 VanDerWaalsContact O-CD 3.29Å; I491-P496 WeakPolarHBondContact O-CD 3.35Å; I491-L499 HydrophobicContact CG2-CD2 3.56Å; I491-L523 HydrophobicContact CB-CD2 4.24Å; I491-L523 HydrophobicContact CG2-CD1 3.98Å; I491-L523 HydrophobicContact CG2-CD2 4Å; I491-L523 HydrophobicContact CG2-CG 4.5Å
492F96Very high94.1Very high14 Ų1418.7 Ų18.76%0.0619%0.093CC..Hα-helixtrans-57.4-42.1171.2-81.6-63.3000111.5A450 M453 A454 I488 A489 N494 N495 A519 V522 L523A450-F492 HydrophobicContact CB-CB 3.99Å; M453-F492 HydrophobicContact CB-CD1 3.9Å; M453-F492 HydrophobicContact CB-CD2 3.9Å; M453-F492 HydrophobicContact CB-CE1 3.98Å; M453-F492 HydrophobicContact CB-CE2 3.95Å; M453-F492 HydrophobicContact CB-CG 3.86Å; M453-F492 HydrophobicContact CB-CZ 3.98Å; M453-F492 HydrophobicContact CE-CD1 3.63Å; M453-F492 HydrophobicContact CE-CE1 3.59Å; M453-F492 WeakPolarHBondContact O-CE2 3.37Å; M453-F492 HydrophobicContact SD-CD1 3.93Å; M453-F492 HydrophobicContact SD-CE1 4.39Å; M453-F492 HydrophobicContact SD-CG 4.44Å; A454-F492 HydrophobicContact CB-CD2 3.95Å; A454-F492 HydrophobicContact CB-CE2 4.2Å; I488-F492 HydrophobicContact CG2-CD2 3.68Å; I488-F492 HydrophobicContact CG2-CE2 3.45Å; I488-F492 VanDerWaalsContact CG2-CE2 3.45Å; I488-F492 PolarHBondContact O-N 2.96Å; A489-F492 PolarHBondContact O-N 3.01Å; F492-N494 PolarHBondContact O-N 2.68Å; F492-N495 PolarHBondContact O-N 2.97Å; F492-A519 WeakPolarHBondContact CZ-O 3.38Å; F492-V522 HydrophobicContact CE1-CG1 4.19Å; F492-V522 HydrophobicContact CZ-CB 4.41Å; F492-V522 HydrophobicContact CZ-CG1 4.18Å; F492-L523 HydrophobicContact CD1-CD1 3.57Å; F492-L523 HydrophobicContact CD2-CD1 4.31Å; F492-L523 HydrophobicContact CE1-CB 3.85Å; F492-L523 HydrophobicContact CE1-CD1 3.49Å; F492-L523 VanDerWaalsContact CE1-CD1 3.49Å; F492-L523 HydrophobicContact CE1-CG 4.26Å; F492-L523 HydrophobicContact CE2-CB 4.2Å; F492-L523 HydrophobicContact CE2-CD1 4.27Å; F492-L523 HydrophobicContact CG-CD1 3.98Å; F492-L523 HydrophobicContact CZ-CB 3.56Å; F492-L523 HydrophobicContact CZ-CD1 3.89Å; F492-L523 HydrophobicContact CZ-CG 4.24Å
493L96.4Very high93.7Very high6 Ų618.3 Ų18.33%0.0319%0.091CC..Hα-helixtrans-65.4-38.1179.6-167.572.6000113.4I435 L436 R439 A442 E446 V447 A450 A489 I491I435-L493 HydrophobicContact CG2-CD2 4.1Å; I435-L493 WeakPolarHBondContact O-CD2 3.26Å; L436-L493 HydrophobicContact CD2-CD2 4.49Å; R439-L493 HydrophobicContact CB-CD2 4.08Å; R439-L493 HydrophobicContact CB-CG 4.08Å; R439-L493 PolarHBondContact NE-O 3.41Å; R439-L493 PolarHBondContact NH2-O 2.93Å; A442-L493 HydrophobicContact CB-CD1 3.7Å; A442-L493 HydrophobicContact CB-CD2 3.86Å; A442-L493 HydrophobicContact CB-CG 3.97Å; E446-L493 HydrophobicContact CB-CD1 3.93Å; E446-L493 WeakPolarHBondContact O-CD1 3.2Å; V447-L493 HydrophobicContact CG2-CD1 4.36Å; V447-L493 HydrophobicContact CG2-CD2 4.36Å; A450-L493 HydrophobicContact CB-CB 3.88Å; A450-L493 HydrophobicContact CB-CD1 3.95Å; A489-L493 WeakPolarHBondContact O-CB 3.45Å; A489-L493 PolarHBondContact O-N 3.33Å; I491-L493 VanDerWaalsContact C-N 3.25Å; I491-L493 PolarHBondContact O-N 2.84Å
494N94.1Very high92.8Very high31 Ų3116.5 Ų16.517%0.1669%0.085CC..Hα-helixtrans-80.7-28.4177.9-173.242.6000112.8N415 G438 R490 I491 F492N415-N494 PolarHBondContact O-ND2 3.33Å; G438-N494 WeakPolarHBondContact O-CB 3.46Å; G438-N494 PolarHBondContact O-OD1 3.41Å; R490-N494 PolarHBondContact O-N 2.91Å; R490-N494 VanDerWaalsContact O-N 3.15Å; I491-N494 PolarHBondContact O-N 2.75Å; F492-N494 PolarHBondContact O-N 2.68Å
495N93.3Very high92.1Very high102 Ų10216.5 Ų16.555%0.5459%0.085SC..  trans51.156.2179.9-164.537.9000115.8I491 F492 R527I491-N495 WeakPolarHBondContact O-CA 3.39Å; I491-N495 PolarHBondContact O-N 3.37Å; F492-N495 PolarHBondContact O-N 2.97Å; N495-R527 PolarHBondContact OD1-NH1 3.48Å; N495-R527 PolarHBondContact OD1-NH2 2.93Å
496P95.1Very high90.9Very high3 Ų316.5 Ų16.52%0.0199%0.09CC..  trans-78.6151.8-177.330.8-32.9000113.3Q416 G418 I491 L499 R527Q416-P496 VanDerWaalsContact C-CB 3.48Å; Q416-P496 WeakPolarHBondContact O-CB 3.38Å; G418-P496 VanDerWaalsContact CA-CG 3.45Å; I491-P496 HydrophobicContact CG2-CG 3.69Å; I491-P496 VanDerWaalsContact O-CD 3.29Å; I491-P496 WeakPolarHBondContact O-CD 3.35Å; P496-L499 HydrophobicContact CG-CD2 4.02Å; P496-R527 WeakPolarHBondContact O-CD 3.33Å; P496-R527 PolarHBondContact O-NH1 3.5Å; P496-R527 VanDerWaalsContact O-NH1 3.11Å
497P95Very high89.8Confident40 Ų4021.4 Ų21.426%0.2613%0.131SC..SBendtrans-75-24.417928.9-36.8000115I335 Q416 T528I335-P497 HydrophobicContact CB-CG 4.07Å; I335-P497 HydrophobicContact CG2-CB 4.44Å; I335-P497 HydrophobicContact CG2-CG 3.95Å; Q416-P497 HydrophobicContact CB-CG 4.29Å; Q416-P497 VanDerWaalsContact O-CD 3.27Å; Q416-P497 WeakPolarHBondContact O-CD 3.29Å; P497-T528 PolarHBondContact O-N 3.3Å
498I97Very high89.1Confident0 Ų022.1 Ų22.10%013%0.134CC..EExtended strand (participates in β ladder)trans-113.8135.8178.1-61.4172.9000108.8I335 I340 I400 I417 G418 T528 L530I335-I498 HydrophobicContact CD1-CD1 3.97Å; I335-I498 HydrophobicContact CG2-CD1 4.21Å; I340-I498 HydrophobicContact CD1-CD1 4.07Å; I340-I498 HydrophobicContact CD1-CG2 3.98Å; I340-I498 HydrophobicContact CG1-CD1 4.16Å; I400-I498 HydrophobicContact CD1-CD1 3.94Å; I400-I498 HydrophobicContact CG1-CD1 4.48Å; I400-I498 HydrophobicContact CG2-CD1 3.85Å; I417-I498 CarbonylContact C-O 3.59Å; I417-I498 WeakPolarHBondContact CA-O 3.35Å; I417-I498 HydrophobicContact CG1-CB 4.19Å; I417-I498 HydrophobicContact CG1-CG2 4.36Å; I417-I498 HydrophobicContact CG2-CG2 4.45Å; G418-I498 PolarHBondContact N-O 3.27Å; I498-T528 CarbonylContact C-O 3.57Å; I498-T528 WeakPolarHBondContact CA-O 3.31Å; I498-L530 HydrophobicContact CG2-CD1 3.94Å
499L95.5Very high88.5Confident0 Ų026.2 Ų26.20%016%0.156CC..EExtended strand (participates in β ladder)trans-121.5138.5178.2-61.3177.4000111.1G418 I491 P496 L523 R527 T528 T529 L530G418-L499 CarbonylContact O-C 3.55Å; G418-L499 WeakPolarHBondContact O-CA 3.45Å; I491-L499 HydrophobicContact CG2-CD2 3.56Å; P496-L499 HydrophobicContact CG-CD2 4.02Å; L499-L523 HydrophobicContact CD1-CD2 4.24Å; L499-L523 HydrophobicContact CD1-CG 3.73Å; L499-L523 WeakPolarHBondContact CD1-O 3.2Å; L499-L523 HydrophobicContact CD2-CD2 4.35Å; L499-L523 HydrophobicContact CD2-CG 4.31Å; L499-R527 HydrophobicContact CD1-CB 4.2Å; L499-R527 HydrophobicContact CG-CB 4.4Å; L499-T528 PolarHBondContact N-O 2.95Å; L499-T529 HydrophobicContact CB-CG2 4.12Å; L499-L530 WeakPolarHBondContact O-CD1 3.47Å; L499-L530 PolarHBondContact O-N 3.46Å
500I95.1Very high87.9Confident0 Ų033 Ų330%019%0.191CC..EExtended strand (participates in β ladder)trans-124.4119.4172.6-58.8178000107.6I384 I387 P388 I417 G418 L419 V420 L530I384-I500 HydrophobicContact CB-CG2 3.75Å; I384-I500 HydrophobicContact CD1-CG2 3.77Å; I384-I500 HydrophobicContact CG1-CG2 4.28Å; I384-I500 HydrophobicContact CG2-CG2 4.2Å; I387-I500 HydrophobicContact CB-CD1 4.02Å; I387-I500 HydrophobicContact CD1-CD1 4.45Å; I387-I500 HydrophobicContact CG2-CD1 4.19Å; P388-I500 HydrophobicContact CG-CD1 4.45Å; I417-I500 HydrophobicContact CG2-CD1 3.73Å; I417-I500 HydrophobicContact CG2-CG1 4.03Å; G418-I500 PolarHBondContact O-N 2.91Å; L419-I500 WeakPolarHBondContact CA-O 3.16Å; L419-I500 HydrophobicContact CD1-CB 3.68Å; L419-I500 HydrophobicContact CD1-CG2 3.46Å; L419-I500 VanDerWaalsContact CD1-CG2 3.46Å; V420-I500 PolarHBondContact N-O 3.49Å; I500-L530 CarbonylContact C-O 3.42Å; I500-L530 WeakPolarHBondContact CA-O 3.35Å; I500-L530 HydrophobicContact CG1-CB 4.43Å
501L92Very high87.4Confident5 Ų538.2 Ų38.23%0.02622%0.217CC..EExtended strand (participates in β ladder)trans-115.497.9-179.6-53.5-178.7000108.5V420 A504 L520 T529 L530 I531 V532V420-L501 HydrophobicContact CB-CD2 3.81Å; V420-L501 HydrophobicContact CG2-CD2 3.52Å; L501-A504 HydrophobicContact CB-CB 4.4Å; L501-L520 HydrophobicContact CD1-CD1 4.37Å; L501-L520 HydrophobicContact CD1-CD2 3.94Å; L501-L520 HydrophobicContact CD2-CD2 3.78Å; L501-T529 HydrophobicContact CD1-CG2 3.97Å; L501-T529 HydrophobicContact CG-CG2 4.34Å; L501-L530 PolarHBondContact N-O 3.19Å; L501-I531 HydrophobicContact CB-CG1 4.41Å; L501-I531 HydrophobicContact CB-CG2 4.35Å; L501-I531 HydrophobicContact CD1-CD1 4.24Å; L501-I531 HydrophobicContact CD1-CG1 4.12Å; L501-I531 WeakPolarHBondContact O-CA 3.47Å; L501-V532 PolarHBondContact O-N 2.88Å
502D90.6Very high86.9Confident16 Ų1638.4 Ų38.49%0.08622%0.22CC..EExtended strand (participates in β ladder)trans-9499.6179.9-165.819.8000110.2S381 I384 V420 Q421 Q422 A504S381-D502 PolarHBondContact OG-OD1 3.27Å; I384-D502 HydrophobicContact CD1-CB 3.55Å; I384-D502 VanDerWaalsContact CD1-CG 3.42Å; V420-D502 PolarHBondContact O-N 3.13Å; Q421-D502 CarbonylContact C-O 3.55Å; Q422-D502 PolarHBondContact N-O 3.01Å; Q422-D502 VanDerWaalsContact N-O 3.13Å; D502-A504 PolarHBondContact O-N 2.96Å; D502-A504 VanDerWaalsContact O-N 3.09Å
503E82.8Confident86.4Confident31 Ų3138.6 Ų38.615%0.14522%0.221CC..SBendtrans51.236.6178-56.8-172.6-169.700114.4Q422 T505 S506 V532 H534Q422-E503 HydrophobicContact CB-CB 4.24Å; Q422-E503 VanDerWaalsContact CD-OE2 3.24Å; Q422-E503 HydrophobicContact CG-CB 4.2Å; Q422-E503 PolarHBondContact NE2-OE2 3.31Å; Q422-E503 PolarHBondContact OE1-OE2 3.5Å; E503-T505 PolarHBondContact O-N 2.86Å; E503-S506 WeakPolarHBondContact CB-OG 3.41Å; E503-S506 WeakPolarHBondContact O-CB 3.37Å; E503-S506 PolarHBondContact O-N 2.91Å; E503-S506 PolarHBondContact O-OG 3.49Å; E503-V532 WeakPolarHBondContact CA-O 3.44Å; E503-V532 HydrophobicContact CG-CG1 4.21Å; E503-V532 PolarHBondContact N-O 3.32Å; E503-H534 IonicContact OE1-CD2 2.7Å; E503-H534 PolarHBondContact OE1-CD2 3.07Å; E503-H534 IonicContact OE1-NE2 2.76Å; E503-H534 PolarHBondContact OE1-NE2 2.95Å; E503-H534 IonicContact OE2-CD2 3.87Å
504A74.4Confident85.9Confident7 Ų742.3 Ų42.36%0.05825%0.247CC..THydrogen-bonded Turntrans-59.6-15.7-168.700000115.8V420 Q484 L501 D502 L520V420-A504 HydrophobicContact CB-CB 4.37Å; V420-A504 HydrophobicContact CG1-CB 3.73Å; Q484-A504 WeakPolarHBondContact CG-O 3.47Å; Q484-A504 PolarHBondContact NE2-O 3.3Å; L501-A504 HydrophobicContact CB-CB 4.4Å; D502-A504 PolarHBondContact O-N 2.96Å; D502-A504 VanDerWaalsContact O-N 3.09Å; A504-L520 HydrophobicContact CB-CD1 4.09Å
505T75.9Confident85.6Confident11 Ų1142.9 Ų42.97%0.06725%0.249CC..THydrogen-bonded Turntrans-115.12.3177.857.50000114.3E503 E513 I516 Q517 L520E503-T505 PolarHBondContact O-N 2.86Å; T505-E513 HydrophobicContact CG2-CG 4.45Å; T505-I516 HydrophobicContact CG2-CG2 3.92Å; T505-Q517 HydrophobicContact CG2-CG 4.26Å; T505-L520 HydrophobicContact CG2-CD1 4.29Å
506S69.2Low85.4Confident30 Ų3038 Ų3821%0.2122%0.223CC..THydrogen-bonded Turntrans-67.1142.2175.868.70000110.3Q422 E503 L508Q422-S506 PolarHBondContact NE2-OG 3.36Å; Q422-S506 VanDerWaalsContact NE2-OG 3.12Å; E503-S506 WeakPolarHBondContact CB-OG 3.41Å; E503-S506 WeakPolarHBondContact O-CB 3.37Å; E503-S506 PolarHBondContact O-N 2.91Å; E503-S506 PolarHBondContact O-OG 3.49Å; S506-L508 PolarHBondContact O-N 3.36Å
507A71.5Confident85Confident103 Ų10339.4 Ų39.485%0.85123%0.23SC*.THydrogen-bonded Turntrans69.616.1-178.600000118
508L76.7Confident84.8Confident18 Ų1843 Ų439%0.09424%0.243CC..  trans-100.1150.9176.1-58177.5000113.1S506 E513 I516S506-L508 PolarHBondContact O-N 3.36Å; L508-E513 HydrophobicContact CB-CB 4.45Å; L508-I516 HydrophobicContact CD1-CD1 3.34Å
509D82.4Confident84.5Confident87 Ų8743 Ų4347%0.46524%0.243SC..  trans-68.7158.1165.966.589.8000111.2E511 S512 E513D509-E511 VanDerWaalsContact C-N 3.28Å; D509-E511 PolarHBondContact O-N 3.29Å; D509-E511 WeakPolarHBondContact OD1-CB 3.37Å; D509-E511 PolarHBondContact OD1-N 2.87Å; D509-S512 PolarHBondContact O-N 3.39Å; D509-S512 PolarHBondContact OD1-N 2.98Å; D509-S512 PolarHBondContact OD1-OG 2.87Å; D509-S512 WeakPolarHBondContact OD2-CB 3.47Å; D509-S512 PolarHBondContact OD2-OG 2.94Å; D509-E513 WeakPolarHBondContact O-CB 3.46Å; D509-E513 PolarHBondContact O-N 3.32Å
510L83.1Confident84.2Confident142 Ų14243.3 Ų43.374%0.74325%0.245SC*.Hα-helixtrans-60-34.2-173.3-68.3173000113.5S514L510-S514 PolarHBondContact O-N 2.99Å; L510-S514 VanDerWaalsContact O-N 3.12Å
511E84.2Confident83.9Confident148 Ų14848 Ų4869%0.69227%0.27SS*.Hα-helixtrans-71.2-51.9179.3-175.1-176.3173.200110.2D509 E513 S514 I515D509-E511 VanDerWaalsContact C-N 3.28Å; D509-E511 PolarHBondContact O-N 3.29Å; D509-E511 WeakPolarHBondContact OD1-CB 3.37Å; D509-E511 PolarHBondContact OD1-N 2.87Å; E511-E513 VanDerWaalsContact C-N 3.25Å; E511-E513 PolarHBondContact O-N 3.46Å; E511-S514 PolarHBondContact O-N 3.12Å; E511-I515 HydrophobicContact CG-CD1 4.26Å; E511-I515 WeakPolarHBondContact O-CG1 3.4Å; E511-I515 PolarHBondContact O-N 2.97Å
512S85Confident83.9Confident13 Ų1350.7 Ų50.79%0.09129%0.287CS..Hα-helixtrans-56.8-40.6174.8-68.10000111.9D509 I515 I516D509-S512 PolarHBondContact O-N 3.39Å; D509-S512 PolarHBondContact OD1-N 2.98Å; D509-S512 PolarHBondContact OD1-OG 2.87Å; D509-S512 WeakPolarHBondContact OD2-CB 3.47Å; D509-S512 PolarHBondContact OD2-OG 2.94Å; S512-I515 PolarHBondContact O-N 3.33Å; S512-I516 WeakPolarHBondContact O-CB 3.29Å; S512-I516 WeakPolarHBondContact O-CD1 3.37Å; S512-I516 WeakPolarHBondContact O-CG1 3.45Å; S512-I516 PolarHBondContact O-N 2.97Å
513E84.5Confident83.9Confident18 Ų1850 Ų508%0.08428%0.283CS..Hα-helixtrans-61.1-48.6177.8177.5-178.6-159.900112.1T505 L508 D509 E511 I515 I516 Q517 R535T505-E513 HydrophobicContact CG2-CG 4.45Å; L508-E513 HydrophobicContact CB-CB 4.45Å; D509-E513 WeakPolarHBondContact O-CB 3.46Å; D509-E513 PolarHBondContact O-N 3.32Å; E511-E513 VanDerWaalsContact C-N 3.25Å; E511-E513 PolarHBondContact O-N 3.46Å; E513-I515 VanDerWaalsContact C-N 3.29Å; E513-I515 PolarHBondContact O-N 3.3Å; E513-I516 PolarHBondContact O-N 3.43Å; E513-Q517 HydrophobicContact CG-CG 4.3Å; E513-Q517 WeakPolarHBondContact O-CG 3.44Å; E513-Q517 PolarHBondContact O-N 3.23Å; E513-R535 WeakPolarHBondContact OE1-CD 3.43Å; E513-R535 IonicContact OE1-CZ 3.35Å; E513-R535 IonicContact OE1-NE 2.81Å; E513-R535 IonicContact OE1-NH1 3.93Å; E513-R535 PolarHBondContact OE1-NH1 3.1Å; E513-R535 IonicContact OE2-CZ 3.93Å; E513-R535 IonicContact OE2-NH1 3.48Å; E513-R535 PolarHBondContact OE2-NH1 3.3Å
514S87Confident84.2Confident83 Ų8349.3 Ų49.358%0.5828%0.281SS*.Hα-helixtrans-59.2-42.7179.6-1730000111.6L510 E511 I516 Q517 E518L510-S514 PolarHBondContact O-N 2.99Å; L510-S514 VanDerWaalsContact O-N 3.12Å; E511-S514 PolarHBondContact O-N 3.12Å; S514-I516 VanDerWaalsContact C-N 3.32Å; S514-I516 PolarHBondContact O-N 2.93Å; S514-Q517 PolarHBondContact O-N 3.28Å; S514-E518 PolarHBondContact O-N 3.27Å; S514-E518 VanDerWaalsContact O-N 3.08Å
515I88.3Confident84.9Confident43 Ų4355.6 Ų55.622%0.22131%0.307CS..Hα-helixtrans-64.4-39.3178.7-64.7167.9000111.1N455 E511 S512 E513 A519N455-I515 HydrophobicContact CB-CG2 3.42Å; N455-I515 VanDerWaalsContact CB-CG2 3.42Å; N455-I515 PolarHBondContact ND2-O 3.36Å; E511-I515 HydrophobicContact CG-CD1 4.26Å; E511-I515 WeakPolarHBondContact O-CG1 3.4Å; E511-I515 PolarHBondContact O-N 2.97Å; S512-I515 PolarHBondContact O-N 3.33Å; E513-I515 VanDerWaalsContact C-N 3.29Å; E513-I515 PolarHBondContact O-N 3.3Å; I515-A519 PolarHBondContact O-N 3.07Å
516I88.8Confident85.5Confident0 Ų062.7 Ų62.70%035%0.345CS..Hα-helixtrans-74-40.3-179.8-76.6159.2000111.1Q484 R485 I488 T505 L508 S512 E513 S514 E518 A519 L520Q484-I516 HydrophobicContact CB-CD1 3.65Å; Q484-I516 HydrophobicContact CB-CG1 4.48Å; Q484-I516 HydrophobicContact CG-CD1 3.89Å; Q484-I516 HydrophobicContact CG-CG1 4.47Å; Q484-I516 HydrophobicContact CG-CG2 4.26Å; R485-I516 HydrophobicContact CG-CD1 4.22Å; R485-I516 HydrophobicContact CG-CG1 3.75Å; I488-I516 HydrophobicContact CD1-CG1 4.46Å; I488-I516 HydrophobicContact CD1-CG2 3.81Å; T505-I516 HydrophobicContact CG2-CG2 3.92Å; L508-I516 HydrophobicContact CD1-CD1 3.34Å; S512-I516 WeakPolarHBondContact O-CB 3.29Å; S512-I516 WeakPolarHBondContact O-CD1 3.37Å; S512-I516 WeakPolarHBondContact O-CG1 3.45Å; S512-I516 PolarHBondContact O-N 2.97Å; E513-I516 PolarHBondContact O-N 3.43Å; S514-I516 VanDerWaalsContact C-N 3.32Å; S514-I516 PolarHBondContact O-N 2.93Å; I516-E518 VanDerWaalsContact C-N 3.33Å; I516-E518 PolarHBondContact O-N 3.02Å; I516-A519 PolarHBondContact O-N 3.35Å; I516-L520 HydrophobicContact CG2-CD1 3.86Å; I516-L520 HydrophobicContact CG2-CG 4.17Å; I516-L520 WeakPolarHBondContact O-CB 3.31Å; I516-L520 VanDerWaalsContact O-CG 3.26Å; I516-L520 WeakPolarHBondContact O-CG 3.24Å; I516-L520 PolarHBondContact O-N 2.9Å
517Q87Confident86.7Confident32 Ų3262.7 Ų62.715%0.1534%0.34CS..Hα-helixtrans-59.1-44.9173.9-75-63.9-13.100111.2T505 E513 S514 A519 L520 D521 T538T505-Q517 HydrophobicContact CG2-CG 4.26Å; E513-Q517 HydrophobicContact CG-CG 4.3Å; E513-Q517 WeakPolarHBondContact O-CG 3.44Å; E513-Q517 PolarHBondContact O-N 3.23Å; S514-Q517 PolarHBondContact O-N 3.28Å; Q517-A519 VanDerWaalsContact C-N 3.31Å; Q517-A519 PolarHBondContact O-N 3.2Å; Q517-L520 PolarHBondContact O-N 3.3Å; Q517-L520 VanDerWaalsContact O-N 3.11Å; Q517-D521 WeakPolarHBondContact O-CB 3.42Å; Q517-D521 VanDerWaalsContact O-CG 3.3Å; Q517-D521 PolarHBondContact O-N 3.47Å; Q517-T538 PolarHBondContact NE2-OG1 3.01Å
518E89.1Confident87.9Confident115 Ų11557.9 Ų57.954%0.53730%0.3SS..Hα-helixtrans-57.3-45175.4-175.9-177.8-159.700111.9N455 S514 I516 D521 V522N455-E518 PolarHBondContact ND2-OE2 2.92Å; S514-E518 PolarHBondContact O-N 3.27Å; S514-E518 VanDerWaalsContact O-N 3.08Å; I516-E518 VanDerWaalsContact C-N 3.33Å; I516-E518 PolarHBondContact O-N 3.02Å; E518-D521 PolarHBondContact O-N 3.19Å; E518-V522 WeakPolarHBondContact O-CG2 3.29Å; E518-V522 PolarHBondContact O-N 3.12Å; E518-V522 VanDerWaalsContact O-N 3.12Å
519A90.7Very high88.8Confident1 Ų157 Ų571%0.00830%0.296CS..Hα-helixtrans-64.9-39.3176.700000112.1I488 F492 I515 I516 Q517 V522 L523I488-A519 HydrophobicContact CG2-CB 4.33Å; F492-A519 WeakPolarHBondContact CZ-O 3.38Å; I515-A519 PolarHBondContact O-N 3.07Å; I516-A519 PolarHBondContact O-N 3.35Å; Q517-A519 VanDerWaalsContact C-N 3.31Å; Q517-A519 PolarHBondContact O-N 3.2Å; A519-V522 PolarHBondContact O-N 3.13Å; A519-L523 VanDerWaalsContact O-CB 3.27Å; A519-L523 WeakPolarHBondContact O-CB 3.5Å; A519-L523 PolarHBondContact O-N 3.01Å
520L89.5Confident89.4Confident6 Ų652.9 Ų52.93%0.03127%0.274CS..Hα-helixtrans-69.1-37.4177.6-70.3176.5000112.1I488 L501 A504 T505 I516 Q517 V522 L523 S524I488-L520 HydrophobicContact CD1-CD2 3.84Å; I488-L520 HydrophobicContact CD1-CG 4.12Å; I488-L520 HydrophobicContact CG1-CD2 4.1Å; L501-L520 HydrophobicContact CD1-CD1 4.37Å; L501-L520 HydrophobicContact CD1-CD2 3.94Å; L501-L520 HydrophobicContact CD2-CD2 3.78Å; A504-L520 HydrophobicContact CB-CD1 4.09Å; T505-L520 HydrophobicContact CG2-CD1 4.29Å; I516-L520 HydrophobicContact CG2-CD1 3.86Å; I516-L520 HydrophobicContact CG2-CG 4.17Å; I516-L520 WeakPolarHBondContact O-CB 3.31Å; I516-L520 VanDerWaalsContact O-CG 3.26Å; I516-L520 WeakPolarHBondContact O-CG 3.24Å; I516-L520 PolarHBondContact O-N 2.9Å; Q517-L520 PolarHBondContact O-N 3.3Å; Q517-L520 VanDerWaalsContact O-N 3.11Å; L520-V522 VanDerWaalsContact C-N 3.35Å; L520-L523 HydrophobicContact CD2-CD2 4.38Å; L520-L523 PolarHBondContact O-N 2.97Å; L520-S524 VanDerWaalsContact O-CB 3.29Å; L520-S524 WeakPolarHBondContact O-CB 3.41Å; L520-S524 PolarHBondContact O-N 3.11Å; L520-S524 PolarHBondContact O-OG 3.45Å
521D89.2Confident89.8Confident100 Ų10046.8 Ų46.854%0.53524%0.242SC..Hα-helixtrans-63-43.5175.2-73.5-19.5000110.7Q517 E518 S524 K525Q517-D521 WeakPolarHBondContact O-CB 3.42Å; Q517-D521 VanDerWaalsContact O-CG 3.3Å; Q517-D521 PolarHBondContact O-N 3.47Å; E518-D521 PolarHBondContact O-N 3.19Å; D521-S524 PolarHBondContact O-N 2.87Å; D521-K525 PolarHBondContact O-N 3.43Å
522V91.1Very high90.2Very high61 Ų6139.9 Ų39.937%0.3721%0.21SC..Hα-helixtrans-64.7-42.7173.9174.60000111M453 F492 E518 A519 L520 S524M453-V522 HydrophobicContact CE-CG1 4.34Å; F492-V522 HydrophobicContact CE1-CG1 4.19Å; F492-V522 HydrophobicContact CZ-CB 4.41Å; F492-V522 HydrophobicContact CZ-CG1 4.18Å; E518-V522 WeakPolarHBondContact O-CG2 3.29Å; E518-V522 PolarHBondContact O-N 3.12Å; E518-V522 VanDerWaalsContact O-N 3.12Å; A519-V522 PolarHBondContact O-N 3.13Å; L520-V522 VanDerWaalsContact C-N 3.35Å; V522-S524 VanDerWaalsContact C-N 3.33Å; V522-S524 PolarHBondContact O-N 2.9Å
523L90.5Very high89.9Confident0 Ų039.7 Ų39.70%021%0.209CC..Hα-helixtrans-64.5-38-179.8-174.562.7000111.9I488 I491 F492 L499 A519 L520 K525 R527I488-L523 HydrophobicContact CG2-CD2 4.3Å; I491-L523 HydrophobicContact CB-CD2 4.24Å; I491-L523 HydrophobicContact CG2-CD1 3.98Å; I491-L523 HydrophobicContact CG2-CD2 4Å; I491-L523 HydrophobicContact CG2-CG 4.5Å; F492-L523 HydrophobicContact CD1-CD1 3.57Å; F492-L523 HydrophobicContact CD2-CD1 4.31Å; F492-L523 HydrophobicContact CE1-CB 3.85Å; F492-L523 HydrophobicContact CE1-CD1 3.49Å; F492-L523 VanDerWaalsContact CE1-CD1 3.49Å; F492-L523 HydrophobicContact CE1-CG 4.26Å; F492-L523 HydrophobicContact CE2-CB 4.2Å; F492-L523 HydrophobicContact CE2-CD1 4.27Å; F492-L523 HydrophobicContact CG-CD1 3.98Å; F492-L523 HydrophobicContact CZ-CB 3.56Å; F492-L523 HydrophobicContact CZ-CD1 3.89Å; F492-L523 HydrophobicContact CZ-CG 4.24Å; L499-L523 HydrophobicContact CD1-CD2 4.24Å; L499-L523 HydrophobicContact CD1-CG 3.73Å; L499-L523 WeakPolarHBondContact CD1-O 3.2Å; L499-L523 HydrophobicContact CD2-CD2 4.35Å; L499-L523 HydrophobicContact CD2-CG 4.31Å; A519-L523 VanDerWaalsContact O-CB 3.27Å; A519-L523 WeakPolarHBondContact O-CB 3.5Å; A519-L523 PolarHBondContact O-N 3.01Å; L520-L523 HydrophobicContact CD2-CD2 4.38Å; L520-L523 PolarHBondContact O-N 2.97Å; L523-K525 VanDerWaalsContact C-N 3.34Å; L523-K525 PolarHBondContact O-N 3.24Å; L523-R527 WeakPolarHBondContact O-CD 3.23Å; L523-R527 PolarHBondContact O-NE 3.17Å
524S90.5Very high89.5Confident17 Ų1742.6 Ų42.612%0.11922%0.222CC..Hα-helixtrans-79.1-13.7-173.8-53.20000113.8L520 D521 V522 D526 R527L520-S524 VanDerWaalsContact O-CB 3.29Å; L520-S524 WeakPolarHBondContact O-CB 3.41Å; L520-S524 PolarHBondContact O-N 3.11Å; L520-S524 PolarHBondContact O-OG 3.45Å; D521-S524 PolarHBondContact O-N 2.87Å; V522-S524 VanDerWaalsContact C-N 3.33Å; V522-S524 PolarHBondContact O-N 2.9Å; S524-D526 PolarHBondContact O-N 3.5Å; S524-R527 PolarHBondContact O-N 3.31Å
525K89.4Confident88.8Confident139 Ų13942.5 Ų42.560%0.60421%0.209SC*.THydrogen-bonded Turntrans-57.1131.7177.1-79.5175.7-177.5175.80111.6D521 L523 R527D521-K525 PolarHBondContact O-N 3.43Å; L523-K525 VanDerWaalsContact C-N 3.34Å; L523-K525 PolarHBondContact O-N 3.24Å; K525-R527 PolarHBondContact O-N 3.03Å
526D88.4Confident87.8Confident160 Ų16041.7 Ų41.786%0.85621%0.205SC*.THydrogen-bonded Turntrans59.923.2176.5-55.5-52.1000114.9S524S524-D526 PolarHBondContact O-N 3.5Å
527R93.3Very high86.8Confident30 Ų3044.7 Ų44.711%0.11323%0.226CC..SBendtrans-131.2147.5-177.8-64.3175.4-152.8-1509.4111.9G367 N495 P496 L499 L523 S524 K525 T529G367-R527 CarbonylContact C-O 3.58Å; N495-R527 PolarHBondContact OD1-NH1 3.48Å; N495-R527 PolarHBondContact OD1-NH2 2.93Å; P496-R527 WeakPolarHBondContact O-CD 3.33Å; P496-R527 PolarHBondContact O-NH1 3.5Å; P496-R527 VanDerWaalsContact O-NH1 3.11Å; L499-R527 HydrophobicContact CD1-CB 4.2Å; L499-R527 HydrophobicContact CG-CB 4.4Å; L523-R527 WeakPolarHBondContact O-CD 3.23Å; L523-R527 PolarHBondContact O-NE 3.17Å; S524-R527 PolarHBondContact O-N 3.31Å; K525-R527 PolarHBondContact O-N 3.03Å; R527-T529 PolarHBondContact O-N 3.18Å; R527-T529 PolarHBondContact O-OG1 3.1Å
528T96.6Very high86.1Confident2 Ų244 Ų441%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-72.4118.4172-56.90000108.8G338 I340 I364 G367 P497 I498 L499 L530G338-T528 WeakPolarHBondContact O-CB 3.39Å; G338-T528 VanDerWaalsContact O-CG2 3.32Å; G338-T528 WeakPolarHBondContact O-CG2 3.47Å; G338-T528 PolarHBondContact O-OG1 3.38Å; I340-T528 HydrophobicContact CD1-CG2 4.32Å; I364-T528 HydrophobicContact CG2-CG2 3.51Å; G367-T528 PolarHBondContact N-OG1 2.94Å; P497-T528 PolarHBondContact O-N 3.3Å; I498-T528 CarbonylContact C-O 3.57Å; I498-T528 WeakPolarHBondContact CA-O 3.31Å; L499-T528 PolarHBondContact N-O 2.95Å; T528-L530 HydrophobicContact CG2-CD1 4.23Å
529T95.4Very high85.5Confident0 Ų038.7 Ų38.70%020%0.199CC..EExtended strand (participates in β ladder)trans-124.3125.4-169.3-57.40000110.6E368 T369 V370 L499 L501 R527 I531E368-T529 PolarHBondContact O-N 3.1Å; T369-T529 CarbonylContact C-O 3.58Å; T369-T529 WeakPolarHBondContact CA-O 2.9Å; T369-T529 HydrophobicContact CG2-CG2 4.43Å; V370-T529 PolarHBondContact N-O 3.43Å; L499-T529 HydrophobicContact CB-CG2 4.12Å; L501-T529 HydrophobicContact CD1-CG2 3.97Å; L501-T529 HydrophobicContact CG-CG2 4.34Å; R527-T529 PolarHBondContact O-N 3.18Å; R527-T529 PolarHBondContact O-OG1 3.1Å; T529-I531 HydrophobicContact CG2-CD1 4.08Å; T529-I531 HydrophobicContact CG2-CG1 3.79Å
530L95.4Very high84.9Confident0 Ų040.9 Ų40.90%021%0.212CC..EExtended strand (participates in β ladder)trans-112.8118.3179.9-6690.6000108.7I340 I364 V370 F372 I387 I498 L499 I500 L501 T528I340-L530 HydrophobicContact CD1-CD1 3.7Å; I340-L530 HydrophobicContact CD1-CD2 4.31Å; I364-L530 HydrophobicContact CD1-CD2 3.57Å; I364-L530 HydrophobicContact CD1-CG 4Å; V370-L530 WeakPolarHBondContact O-CA 3.34Å; F372-L530 HydrophobicContact CE2-CB 4.02Å; F372-L530 HydrophobicContact CE2-CD2 3.8Å; F372-L530 HydrophobicContact CE2-CG 4.22Å; F372-L530 HydrophobicContact CZ-CD2 4.15Å; I387-L530 HydrophobicContact CD1-CD2 3.21Å; I498-L530 HydrophobicContact CG2-CD1 3.94Å; L499-L530 WeakPolarHBondContact O-CD1 3.47Å; L499-L530 PolarHBondContact O-N 3.46Å; I500-L530 CarbonylContact C-O 3.42Å; I500-L530 WeakPolarHBondContact CA-O 3.35Å; I500-L530 HydrophobicContact CG1-CB 4.43Å; L501-L530 PolarHBondContact N-O 3.19Å; T528-L530 HydrophobicContact CG2-CD1 4.23Å
531I92.5Very high84.5Confident15 Ų1547.9 Ų47.98%0.07725%0.245CC..EExtended strand (participates in β ladder)trans-117.9122.9-172.7-49.2-174.7000109.1T369 V370 A371 F372 L501 T529 A533 T538T369-I531 HydrophobicContact CG2-CD1 3.66Å; T369-I531 HydrophobicContact CG2-CG1 4.28Å; V370-I531 PolarHBondContact O-N 3.49Å; A371-I531 CarbonylContact C-O 3.55Å; A371-I531 WeakPolarHBondContact CA-O 3.28Å; F372-I531 PolarHBondContact N-O 3.29Å; L501-I531 HydrophobicContact CB-CG1 4.41Å; L501-I531 HydrophobicContact CB-CG2 4.35Å; L501-I531 HydrophobicContact CD1-CD1 4.24Å; L501-I531 HydrophobicContact CD1-CG1 4.12Å; L501-I531 WeakPolarHBondContact O-CA 3.47Å; T529-I531 HydrophobicContact CG2-CD1 4.08Å; T529-I531 HydrophobicContact CG2-CG1 3.79Å; I531-A533 HydrophobicContact CG2-CB 3.98Å; I531-T538 HydrophobicContact CD1-CG2 4.34Å; I531-T538 HydrophobicContact CG2-CG2 3.91Å
532V91Very high84.5Confident2 Ų243.5 Ų43.51%0.01222%0.223CC..EExtended strand (participates in β ladder)trans-94.4107162.1-178.80000106.7F372 K380 I384 L501 E503F372-V532 HydrophobicContact CB-CG2 4.32Å; K380-V532 HydrophobicContact CB-CG1 3.96Å; K380-V532 HydrophobicContact CB-CG2 4.28Å; K380-V532 HydrophobicContact CD-CG1 4.2Å; I384-V532 HydrophobicContact CD1-CG2 3.7Å; I384-V532 HydrophobicContact CG1-CG2 4.21Å; I384-V532 HydrophobicContact CG2-CG2 3.8Å; L501-V532 PolarHBondContact O-N 2.88Å; E503-V532 WeakPolarHBondContact CA-O 3.44Å; E503-V532 HydrophobicContact CG-CG1 4.21Å; E503-V532 PolarHBondContact N-O 3.32Å
533A78.7Confident84.6Confident9 Ų944.9 Ų44.97%0.07423%0.228CC..  trans-116138-175.500000111.3I531 T538 I539I531-A533 HydrophobicContact CG2-CB 3.98Å; A533-T538 HydrophobicContact CB-CG2 4.43Å; A533-I539 HydrophobicContact CB-CD1 3.98Å; A533-I539 HydrophobicContact CB-CG1 3.49Å; A533-I539 VanDerWaalsContact CB-CG1 3.49Å
534H76.6Confident84.8Confident80 Ų8046.7 Ų46.737%0.3724%0.236SC..SBendtrans-100.8-12168.6-99.9-84000112.9E503 Q576E503-H534 IonicContact OE1-CD2 2.7Å; E503-H534 PolarHBondContact OE1-CD2 3.07Å; E503-H534 IonicContact OE1-NE2 2.76Å; E503-H534 PolarHBondContact OE1-NE2 2.95Å; E503-H534 IonicContact OE2-CD2 3.87Å; H534-Q576 PolarHBondContact O-NE2 3.34Å; H534-Q576 PolarHBondContact O-OE1 3.16Å
535R72.7Confident85Confident81 Ų8145.9 Ų45.931%0.30623%0.23SC..SBendtrans-112.5138.2-176.4-64.2-169.7-178.9-168.15.4111.9E513 S537 T538 I539E513-R535 WeakPolarHBondContact OE1-CD 3.43Å; E513-R535 IonicContact OE1-CZ 3.35Å; E513-R535 IonicContact OE1-NE 2.81Å; E513-R535 IonicContact OE1-NH1 3.93Å; E513-R535 PolarHBondContact OE1-NH1 3.1Å; E513-R535 IonicContact OE2-CZ 3.93Å; E513-R535 IonicContact OE2-NH1 3.48Å; E513-R535 PolarHBondContact OE2-NH1 3.3Å; R535-S537 VanDerWaalsContact C-N 3.35Å; R535-S537 PolarHBondContact O-N 3.36Å; R535-T538 PolarHBondContact O-N 3.04Å; R535-I539 VanDerWaalsContact O-CD1 3.32Å; R535-I539 WeakPolarHBondContact O-CD1 3.35Å; R535-I539 WeakPolarHBondContact O-CG1 3.4Å
536L68Low85.2Confident26 Ų2639.3 Ų39.314%0.13620%0.201CC..Hα-helixtrans-56.6-41.5-178.6-62.8-175.7000114.2T538 I539 T540 Y573 Q576 N577L536-T538 PolarHBondContact O-N 2.88Å; L536-I539 PolarHBondContact O-N 2.84Å; L536-T540 WeakPolarHBondContact O-CG2 3.32Å; L536-T540 PolarHBondContact O-N 3.25Å; L536-T540 PolarHBondContact O-OG1 3.42Å; L536-Y573 HydrophobicContact CB-CE2 4.42Å; L536-Y573 HydrophobicContact CD1-CD2 3.82Å; L536-Y573 HydrophobicContact CD1-CE2 3.59Å; L536-Y573 HydrophobicContact CD1-CG 4.49Å; L536-Y573 HydrophobicContact CD2-CD2 3.43Å; L536-Y573 VanDerWaalsContact CD2-CD2 3.43Å; L536-Y573 HydrophobicContact CD2-CE2 3.87Å; L536-Y573 HydrophobicContact CD2-CG 4.32Å; L536-Y573 HydrophobicContact CG-CD2 4.17Å; L536-Y573 HydrophobicContact CG-CE2 4.15Å; L536-Q576 HydrophobicContact CD1-CB 3.76Å; L536-Q576 HydrophobicContact CD2-CB 4.11Å; L536-Q576 HydrophobicContact CD2-CG 4.5Å; L536-Q576 VanDerWaalsContact CD2-OE1 3.3Å; L536-Q576 HydrophobicContact CG-CB 3.82Å; L536-N577 WeakPolarHBondContact CD1-OD1 3.44Å
537S68Low85.4Confident62 Ų6231.7 Ų31.743%0.43416%0.161SC..Hα-helixtrans-58.1-33.1-174.950.20000113.6R535 T540 H541R535-S537 VanDerWaalsContact C-N 3.35Å; R535-S537 PolarHBondContact O-N 3.36Å; S537-T540 PolarHBondContact O-OG1 2.91Å; S537-H541 PolarHBondContact O-ND1 3.44Å
538T71.7Confident85.4Confident17 Ų1730.2 Ų30.210%0.10416%0.155CC..Hα-helixtrans-80.9-25.8178-40.50000112.1Q517 I531 A533 R535 L536Q517-T538 PolarHBondContact NE2-OG1 3.01Å; I531-T538 HydrophobicContact CD1-CG2 4.34Å; I531-T538 HydrophobicContact CG2-CG2 3.91Å; A533-T538 HydrophobicContact CB-CG2 4.43Å; R535-T538 PolarHBondContact O-N 3.04Å; L536-T538 PolarHBondContact O-N 2.88Å
539I75.9Confident85.2Confident5 Ų532.8 Ų32.83%0.02617%0.167CC..Hα-helixtrans-85-35.7-174.7-60.8159.3000111.3A371 V373 A533 R535 L536 H541 A542 I545 Y569A371-I539 HydrophobicContact CB-CG2 4.26Å; V373-I539 HydrophobicContact CG1-CD1 3.5Å; V373-I539 VanDerWaalsContact CG1-CD1 3.5Å; V373-I539 HydrophobicContact CG1-CG1 3.81Å; V373-I539 HydrophobicContact CG1-CG2 3.97Å; A533-I539 HydrophobicContact CB-CD1 3.98Å; A533-I539 HydrophobicContact CB-CG1 3.49Å; A533-I539 VanDerWaalsContact CB-CG1 3.49Å; R535-I539 VanDerWaalsContact O-CD1 3.32Å; R535-I539 WeakPolarHBondContact O-CD1 3.35Å; R535-I539 WeakPolarHBondContact O-CG1 3.4Å; L536-I539 PolarHBondContact O-N 2.84Å; I539-H541 PolarHBondContact O-N 3.42Å; I539-A542 WeakPolarHBondContact O-CB 3.32Å; I539-A542 PolarHBondContact O-N 2.92Å; I539-A542 VanDerWaalsContact O-N 3.14Å; I539-I545 HydrophobicContact CG2-CD1 3.57Å; I539-I545 HydrophobicContact CG2-CG1 3.84Å; I539-I545 HydrophobicContact CG2-CG2 4.21Å; I539-Y569 HydrophobicContact CG2-CE2 3.97Å
540T78.7Confident85Confident46 Ų4638.9 Ų38.928%0.28220%0.199SC..THydrogen-bonded Turntrans-64.1-23.3-173.548.70000114.3L536 S537L536-T540 WeakPolarHBondContact O-CG2 3.32Å; L536-T540 PolarHBondContact O-N 3.25Å; L536-T540 PolarHBondContact O-OG1 3.42Å; S537-T540 PolarHBondContact O-OG1 2.91Å
541H82Confident84.8Confident154 Ų15438.9 Ų38.971%0.71320%0.2SC*.THydrogen-bonded Turntrans-94.3-1.8-179.3-58.198.3000113.3S537 I539S537-H541 PolarHBondContact O-ND1 3.44Å; I539-H541 PolarHBondContact O-N 3.42Å
542A89.1Confident84.9Confident8 Ų842.1 Ų42.17%0.06622%0.215CC..  trans-72.5139.7178.400000111.3T369 A371 I539 K544 I545T369-A542 HydrophobicContact CG2-CB 4.36Å; A371-A542 HydrophobicContact CB-CB 3.67Å; I539-A542 WeakPolarHBondContact O-CB 3.32Å; I539-A542 PolarHBondContact O-N 2.92Å; I539-A542 VanDerWaalsContact O-N 3.14Å; A542-K544 PolarHBondContact O-N 2.86Å; A542-I545 HydrophobicContact CB-CG1 4.25Å
543D92.6Very high85Confident90 Ų9044.1 Ų44.148%0.48122%0.224SC..SBendtrans-64.3-34.9175-59.3-56.2000111E368 T369E368-D543 HydrophobicContact CG-CB 3.8Å; T369-D543 PolarHBondContact N-OD2 2.95Å; T369-D543 PolarHBondContact O-N 3.43Å
544K94.6Very high85.7Confident38 Ų3846.9 Ų46.917%0.16524%0.241CC..EExtended strand (participates in β ladder)trans-141.1134180-179.3-174.5-71.21490110.6L362 S363 E368 T369 V370 A371 A542 V546 T556L362-K544 HydrophobicContact CD1-CD 4.33Å; S363-K544 PolarHBondContact O-NZ 2.86Å; E368-K544 VanDerWaalsContact OE1-CB 3.3Å; E368-K544 WeakPolarHBondContact OE1-CB 3.44Å; E368-K544 WeakPolarHBondContact OE1-CE 3.43Å; E368-K544 IonicContact OE1-NZ 3.41Å; E368-K544 PolarHBondContact OE1-NZ 3.18Å; E368-K544 IonicContact OE2-NZ 3.97Å; E368-K544 PolarHBondContact OE2-NZ 3.26Å; T369-K544 PolarHBondContact O-N 3.3Å; V370-K544 CarbonylContact C-O 3.58Å; V370-K544 VanDerWaalsContact CA-O 3.28Å; V370-K544 WeakPolarHBondContact CA-O 3.39Å; V370-K544 HydrophobicContact CG1-CD 4.47Å; V370-K544 HydrophobicContact CG1-CG 4.5Å; V370-K544 HydrophobicContact CG2-CB 4.26Å; V370-K544 HydrophobicContact CG2-CD 4.4Å; A371-K544 PolarHBondContact N-O 3.11Å; A542-K544 PolarHBondContact O-N 2.86Å; K544-V546 HydrophobicContact CD-CG2 4.44Å; K544-V546 HydrophobicContact CG-CG2 4.34Å; K544-T556 HydrophobicContact CD-CG2 3.88Å; K544-T556 HydrophobicContact CG-CG2 3.74Å
545I94.1Very high86.5Confident0 Ų044.6 Ų44.60%023%0.23CC..EExtended strand (participates in β ladder)trans-112.9132.3175.2-59.5166.2000107.9A371 V373 I539 A542 T556 G557 H559 L562 Y569A371-I545 HydrophobicContact CB-CG1 4.4Å; A371-I545 CarbonylContact O-C 3.39Å; A371-I545 WeakPolarHBondContact O-CA 3.27Å; V373-I545 HydrophobicContact CG1-CG2 4.26Å; V373-I545 HydrophobicContact CG2-CG2 3.67Å; I539-I545 HydrophobicContact CG2-CD1 3.57Å; I539-I545 HydrophobicContact CG2-CG1 3.84Å; I539-I545 HydrophobicContact CG2-CG2 4.21Å; A542-I545 HydrophobicContact CB-CG1 4.25Å; I545-T556 VanDerWaalsContact O-CA 3.29Å; I545-T556 WeakPolarHBondContact O-CA 3.47Å; I545-G557 WeakPolarHBondContact CB-O 3.39Å; I545-G557 PolarHBondContact N-O 2.88Å; I545-G557 PolarHBondContact O-N 2.92Å; I545-G557 VanDerWaalsContact O-N 3.1Å; I545-H559 HydrophobicContact CD1-CB 3.87Å; I545-L562 HydrophobicContact CB-CD1 3.64Å; I545-L562 HydrophobicContact CD1-CD1 4.46Å; I545-L562 HydrophobicContact CG2-CD1 3.71Å; I545-Y569 HydrophobicContact CD1-CE2 3.94Å; I545-Y569 HydrophobicContact CG2-CD2 3.88Å; I545-Y569 HydrophobicContact CG2-CE2 3.75Å
546V94.5Very high87.5Confident0 Ų043.4 Ų43.40%023%0.232CC..EExtended strand (participates in β ladder)trans-119.8114.1-179.8-178.70000108.5L362 V370 A371 F372 V373 K544 I548 I553 T556L362-V546 HydrophobicContact CD1-CG2 3.77Å; L362-V546 HydrophobicContact CD2-CG2 4.06Å; V370-V546 HydrophobicContact CG1-CG2 3.72Å; A371-V546 PolarHBondContact O-N 2.98Å; F372-V546 WeakPolarHBondContact CA-O 3.45Å; F372-V546 HydrophobicContact CD1-CB 3.84Å; F372-V546 HydrophobicContact CD1-CG1 4.01Å; F372-V546 HydrophobicContact CE1-CB 4.03Å; F372-V546 HydrophobicContact CE1-CG1 4.09Å; F372-V546 HydrophobicContact CE1-CG2 4.3Å; V373-V546 PolarHBondContact N-O 3.49Å; K544-V546 HydrophobicContact CD-CG2 4.44Å; K544-V546 HydrophobicContact CG-CG2 4.34Å; V546-I548 HydrophobicContact CG1-CG1 4.12Å; V546-I553 HydrophobicContact CG1-CB 4.38Å; V546-I553 HydrophobicContact CG1-CD1 3.8Å; V546-I553 HydrophobicContact CG1-CG1 3.66Å; V546-I553 HydrophobicContact CG1-CG2 3.86Å; V546-T556 HydrophobicContact CG2-CG2 4.17Å
547V93.1Very high88.8Confident0 Ų042.6 Ų42.60%023%0.23CC..EExtended strand (participates in β ladder)trans-90.1120176.9-169.20000108.9V373 I553 V554 E555 L562 A568 Y569 L572V373-V547 HydrophobicContact CG2-CB 4.2Å; V373-V547 HydrophobicContact CG2-CG1 4.37Å; V373-V547 HydrophobicContact CG2-CG2 3.72Å; V373-V547 CarbonylContact O-C 3.59Å; V373-V547 WeakPolarHBondContact O-CA 3.39Å; V547-I553 WeakPolarHBondContact O-CA 3.43Å; V547-V554 HydrophobicContact CB-CG2 3.78Å; V547-V554 HydrophobicContact CG1-CG2 3.59Å; V547-V554 WeakPolarHBondContact O-CG2 3.07Å; V547-V554 PolarHBondContact O-N 3.47Å; V547-E555 HydrophobicContact CB-CB 4.01Å; V547-E555 HydrophobicContact CG2-CB 3.78Å; V547-E555 PolarHBondContact N-O 2.96Å; V547-L562 HydrophobicContact CG2-CD1 4.41Å; V547-A568 HydrophobicContact CG1-CB 4.06Å; V547-Y569 HydrophobicContact CG2-CD2 4.23Å; V547-Y569 HydrophobicContact CG2-CG 4.49Å; V547-L572 HydrophobicContact CG1-CD1 4.22Å
548I92.9Very high89.9Confident0 Ų042 Ų420%022%0.224CC..EExtended strand (participates in β ladder)trans-110.9123.2178.9-55.3-179.9000110F372 V373 G378 K380 L383 V546 H552 I553F372-I548 HydrophobicContact CD1-CD1 3.65Å; F372-I548 HydrophobicContact CD1-CG1 4.38Å; F372-I548 HydrophobicContact CE1-CD1 4.32Å; F372-I548 HydrophobicContact CG-CD1 4.47Å; V373-I548 PolarHBondContact O-N 3.2Å; G378-I548 WeakPolarHBondContact O-CG2 3.16Å; K380-I548 HydrophobicContact CG-CB 4.43Å; K380-I548 HydrophobicContact CG-CD1 4.49Å; L383-I548 HydrophobicContact CD2-CD1 3.7Å; V546-I548 HydrophobicContact CG1-CG1 4.12Å; I548-H552 WeakPolarHBondContact CA-O 3.38Å; I548-I553 HydrophobicContact CG1-CG1 4.37Å
549E91.2Very high90.8Very high55 Ų5543.2 Ų43.226%0.25723%0.228SC..EExtended strand (participates in β ladder)trans-132134.5173.5-66.3-170.917100111.5G551 H552 V554E549-G551 PolarHBondContact O-N 3.3Å; E549-H552 PolarHBondContact N-O 3.28Å; E549-H552 PolarHBondContact O-N 2.84Å; E549-V554 HydrophobicContact CB-CG1 3.92Å; E549-V554 HydrophobicContact CB-CG2 4.34Å; E549-V554 HydrophobicContact CG-CG1 4.41Å; E549-V554 HydrophobicContact CG-CG2 3.97Å
550N90.9Very high91.5Very high128 Ų12853 Ų5368%0.68427%0.265SS*.THydrogen-bonded Turntrans49.932.4174.8-61.4-51.1000114.5K358 H552K358-N550 PolarHBondContact NZ-O 3.34Å; N550-H552 PolarHBondContact O-ND1 3.21Å
551G92.1Very high92.2Very high1 Ų155.8 Ų55.81%0.0127%0.274CS..THydrogen-bonded Turntrans83.612.2-179.500000116.3I356 K358 I360 G378 E549I356-G551 WeakPolarHBondContact O-CA 3.48Å; K358-G551 PolarHBondContact N-O 2.8Å; I360-G551 WeakPolarHBondContact CD1-O 3.3Å; G378-G551 PolarHBondContact O-N 2.86Å; E549-G551 PolarHBondContact O-N 3.3Å
552H94.8Very high92.6Very high83 Ų8348.5 Ų48.538%0.38424%0.241SC..EExtended strand (participates in β ladder)trans-125.1152.1176.7-52.290.6000110.9K358 I548 E549 N550 V554K358-H552 WeakPolarHBondContact CB-NE2 3.31Å; K358-H552 WeakPolarHBondContact CD-CE1 3.36Å; K358-H552 PolarHBondContact O-CD2 3.49Å; I548-H552 WeakPolarHBondContact CA-O 3.38Å; E549-H552 PolarHBondContact N-O 3.28Å; E549-H552 PolarHBondContact O-N 2.84Å; N550-H552 PolarHBondContact O-ND1 3.21Å; H552-V554 PolarHBondContact O-N 3.35Å
553I94Very high92.6Very high43 Ų4350.6 Ų50.622%0.22125%0.25CS..EExtended strand (participates in β ladder)trans-78.9116.1165.6-66.8170.1000107.8I360 N361 L362 V546 V547 I548 T556I360-I553 HydrophobicContact CD1-CG1 4.22Å; I360-I553 HydrophobicContact CG2-CD1 3.72Å; I360-I553 HydrophobicContact CG2-CG1 4.3Å; N361-I553 WeakPolarHBondContact O-CD1 3.19Å; L362-I553 HydrophobicContact CB-CD1 3.96Å; V546-I553 HydrophobicContact CG1-CB 4.38Å; V546-I553 HydrophobicContact CG1-CD1 3.8Å; V546-I553 HydrophobicContact CG1-CG1 3.66Å; V546-I553 HydrophobicContact CG1-CG2 3.86Å; V547-I553 WeakPolarHBondContact O-CA 3.43Å; I548-I553 HydrophobicContact CG1-CG1 4.37Å; I553-T556 WeakPolarHBondContact CG2-OG1 3.32Å
554V93.3Very high92.5Very high68 Ų6850.1 Ų50.141%0.41226%0.259SS..EExtended strand (participates in β ladder)trans-94.8-33.4179.5-65.10000112.1V547 E549 H552 A568V547-V554 HydrophobicContact CB-CG2 3.78Å; V547-V554 HydrophobicContact CG1-CG2 3.59Å; V547-V554 WeakPolarHBondContact O-CG2 3.07Å; V547-V554 PolarHBondContact O-N 3.47Å; E549-V554 HydrophobicContact CB-CG1 3.92Å; E549-V554 HydrophobicContact CB-CG2 4.34Å; E549-V554 HydrophobicContact CG-CG1 4.41Å; E549-V554 HydrophobicContact CG-CG2 3.97Å; H552-V554 PolarHBondContact O-N 3.35Å; V554-A568 HydrophobicContact CG2-CB 4.14Å
555E93.3Very high92.3Very high32 Ų3254.2 Ų54.215%0.1528%0.277CS..EExtended strand (participates in β ladder)trans-145.2143.5180-62.8178.5176.500111.2V547 L562 G567 A568 Y569V547-E555 HydrophobicContact CB-CB 4.01Å; V547-E555 HydrophobicContact CG2-CB 3.78Å; V547-E555 PolarHBondContact N-O 2.96Å; E555-L562 HydrophobicContact CB-CD2 3.89Å; E555-G567 WeakPolarHBondContact OE1-CA 3.48Å; E555-A568 PolarHBondContact OE1-N 3Å; E555-A568 PolarHBondContact OE2-N 3.35Å; E555-Y569 WeakPolarHBondContact OE2-CB 3.46Å; E555-Y569 PolarHBondContact OE2-N 3.41Å
556T93.9Very high91.9Very high55 Ų5561.7 Ų61.734%0.33731%0.312SS..EExtended strand (participates in β ladder)trans-138.4139.6171.7-550000109.2K544 I545 V546 I553 K565K544-T556 HydrophobicContact CD-CG2 3.88Å; K544-T556 HydrophobicContact CG-CG2 3.74Å; I545-T556 VanDerWaalsContact O-CA 3.29Å; I545-T556 WeakPolarHBondContact O-CA 3.47Å; V546-T556 HydrophobicContact CG2-CG2 4.17Å; I553-T556 WeakPolarHBondContact CG2-OG1 3.32Å; T556-K565 PolarHBondContact O-NZ 2.86Å
557G93.7Very high91.6Very high9 Ų962.7 Ų62.79%0.09332%0.322CS..EExtended strand (participates in β ladder)trans164.4-177.9175.300000112.8I545 E561I545-G557 WeakPolarHBondContact CB-O 3.39Å; I545-G557 PolarHBondContact N-O 2.88Å; I545-G557 PolarHBondContact O-N 2.92Å; I545-G557 VanDerWaalsContact O-N 3.1Å; G557-E561 WeakPolarHBondContact CA-OE2 3.38Å
558T92.5Very high91.4Very high51 Ų5163.7 Ų63.731%0.31333%0.33SS..  trans-74.5162.8170.568.80000110.9R560 E561 L562T558-R560 VanDerWaalsContact C-N 3.27Å; T558-R560 PolarHBondContact O-N 3Å; T558-E561 PolarHBondContact N-OE2 2.89Å; T558-E561 PolarHBondContact O-N 2.92Å; T558-E561 VanDerWaalsContact O-N 3.14Å; T558-E561 VanDerWaalsContact OG1-CG 3.27Å; T558-E561 WeakPolarHBondContact OG1-CG 3.36Å; T558-E561 PolarHBondContact OG1-N 3.24Å; T558-E561 PolarHBondContact OG1-OE2 3.44Å; T558-L562 WeakPolarHBondContact O-CG 3.45Å; T558-L562 PolarHBondContact O-N 2.84Å
559H90.5Very high91.2Very high42 Ų4264 Ų6419%0.19433%0.331CS..Hα-helixtrans-49.7-47.5175.8174.366.8000112.6I545 E561 L562 I563 Y569 Y573I545-H559 HydrophobicContact CD1-CB 3.87Å; H559-E561 PolarHBondContact O-N 2.84Å; H559-L562 PolarHBondContact O-N 3.39Å; H559-I563 VanDerWaalsContact O-CG1 3.31Å; H559-I563 WeakPolarHBondContact O-CG1 3.46Å; H559-I563 PolarHBondContact O-N 3.33Å; H559-Y569 AromaticContact ND1-CE1 3.5Å; H559-Y569 AromaticContact ND1-CZ 3.6Å; H559-Y569 PolarHBondContact ND1-OH 3.15Å; H559-Y573 AromaticContact CE1-CD2 3.98Å; H559-Y573 AromaticContact CE1-CE2 3.57Å; H559-Y573 AromaticContact CE1-CZ 3.97Å
560R90.3Very high91.1Very high211 Ų21164.3 Ų64.380%0.79633%0.333SS*.Hα-helixtrans-65.6-40.4-178.5-67.9-179.1177.4169.40.6112.5T558 A564T558-R560 VanDerWaalsContact C-N 3.27Å; T558-R560 PolarHBondContact O-N 3Å; R560-A564 WeakPolarHBondContact O-CB 3.34Å; R560-A564 PolarHBondContact O-N 3.26Å
561E92.3Very high90.9Very high104 Ų10463.6 Ų63.649%0.48633%0.325SS..Hα-helixtrans-65.9-41.7178.4-71.6167.1173.500111.8G557 T558 H559 A564 K565G557-E561 WeakPolarHBondContact CA-OE2 3.38Å; T558-E561 PolarHBondContact N-OE2 2.89Å; T558-E561 PolarHBondContact O-N 2.92Å; T558-E561 VanDerWaalsContact O-N 3.14Å; T558-E561 VanDerWaalsContact OG1-CG 3.27Å; T558-E561 WeakPolarHBondContact OG1-CG 3.36Å; T558-E561 PolarHBondContact OG1-N 3.24Å; T558-E561 PolarHBondContact OG1-OE2 3.44Å; H559-E561 PolarHBondContact O-N 2.84Å; E561-A564 PolarHBondContact O-N 3.04Å; E561-K565 WeakPolarHBondContact O-CG 3.18Å; E561-K565 PolarHBondContact O-N 3.45Å
562L90.7Very high90.5Very high0 Ų065.3 Ų65.30%033%0.334CS..Hα-helixtrans-73.3-37.8-177.8-67.5-176.7000112.7I545 V547 E555 T558 H559 A564 K565 Y569I545-L562 HydrophobicContact CB-CD1 3.64Å; I545-L562 HydrophobicContact CD1-CD1 4.46Å; I545-L562 HydrophobicContact CG2-CD1 3.71Å; V547-L562 HydrophobicContact CG2-CD1 4.41Å; E555-L562 HydrophobicContact CB-CD2 3.89Å; T558-L562 WeakPolarHBondContact O-CG 3.45Å; T558-L562 PolarHBondContact O-N 2.84Å; H559-L562 PolarHBondContact O-N 3.39Å; L562-A564 VanDerWaalsContact C-N 3.32Å; L562-A564 PolarHBondContact O-N 2.86Å; L562-K565 HydrophobicContact CD2-CD 4.29Å; L562-K565 PolarHBondContact O-N 3Å; L562-Y569 HydrophobicContact CB-CD1 3.31Å; L562-Y569 HydrophobicContact CB-CE1 4.04Å; L562-Y569 HydrophobicContact CB-CG 3.64Å; L562-Y569 HydrophobicContact CD1-CD1 4.14Å; L562-Y569 HydrophobicContact CD1-CD2 4.01Å; L562-Y569 HydrophobicContact CD1-CG 3.75Å; L562-Y569 HydrophobicContact CG-CD1 4.38Å; L562-Y569 HydrophobicContact CG-CG 4.34Å
563I89.3Confident90Very high52 Ų5264.1 Ų64.127%0.26733%0.326SS..Hα-helixtrans-61.5-42.5171.5-66.8-63.4000110.8H559 K565 Q566 Y569 E570 Y573H559-I563 VanDerWaalsContact O-CG1 3.31Å; H559-I563 WeakPolarHBondContact O-CG1 3.46Å; H559-I563 PolarHBondContact O-N 3.33Å; I563-K565 VanDerWaalsContact C-N 3.26Å; I563-K565 PolarHBondContact O-N 3.48Å; I563-Q566 PolarHBondContact O-N 3.17Å; I563-Y569 HydrophobicContact CD1-CD1 3.99Å; I563-Y569 HydrophobicContact CD1-CE1 3.74Å; I563-Y569 HydrophobicContact CG1-CD1 4.32Å; I563-Y569 HydrophobicContact CG1-CE1 3.95Å; I563-E570 HydrophobicContact CD1-CB 4.43Å; I563-E570 HydrophobicContact CD1-CG 4.27Å; I563-Y573 HydrophobicContact CD1-CD1 3.58Å; I563-Y573 HydrophobicContact CD1-CD2 4.23Å; I563-Y573 HydrophobicContact CD1-CE1 4.13Å; I563-Y573 HydrophobicContact CD1-CG 3.66Å
564A90.4Very high89.5Confident80 Ų8064 Ų6466%0.66133%0.329SS*.Hα-helixtrans-65.1-28179.200000113.4R560 E561 L562 Q566R560-A564 WeakPolarHBondContact O-CB 3.34Å; R560-A564 PolarHBondContact O-N 3.26Å; E561-A564 PolarHBondContact O-N 3.04Å; L562-A564 VanDerWaalsContact C-N 3.32Å; L562-A564 PolarHBondContact O-N 2.86Å; A564-Q566 VanDerWaalsContact C-N 3.28Å; A564-Q566 PolarHBondContact O-N 3.39Å
565K90.1Very high88.8Confident125 Ų12565 Ų6554%0.54333%0.332SS..Hα-helixtrans-71.9-17.5176.8-76.6176.2-176.3175.70113.7T556 E561 L562 I563 G567T556-K565 PolarHBondContact O-NZ 2.86Å; E561-K565 WeakPolarHBondContact O-CG 3.18Å; E561-K565 PolarHBondContact O-N 3.45Å; L562-K565 HydrophobicContact CD2-CD 4.29Å; L562-K565 PolarHBondContact O-N 3Å; I563-K565 VanDerWaalsContact C-N 3.26Å; I563-K565 PolarHBondContact O-N 3.48Å; K565-G567 PolarHBondContact O-N 3.22Å
566Q85.6Confident87.6Confident157 Ų15767.5 Ų67.573%0.73434%0.343SS*.THydrogen-bonded Turntrans50.538.7-176.6-62.6-174.8-2700113.3I563 A564I563-Q566 PolarHBondContact O-N 3.17Å; A564-Q566 VanDerWaalsContact C-N 3.28Å; A564-Q566 PolarHBondContact O-N 3.39Å
567G89.8Confident86.2Confident21 Ų2169.7 Ų69.722%0.21635%0.353CS..SBendtrans-102.9-151.4-176.400000113.5E555 K565 Y569 E570 H571E555-G567 WeakPolarHBondContact OE1-CA 3.48Å; K565-G567 PolarHBondContact O-N 3.22Å; G567-Y569 VanDerWaalsContact C-N 3.29Å; G567-Y569 PolarHBondContact O-N 3.47Å; G567-E570 PolarHBondContact O-N 2.91Å; G567-H571 PolarHBondContact O-N 3.3Å
568A87.9Confident83.9Confident21 Ų2178.8 Ų78.817%0.17440%0.398CS..Hα-helixtrans-58.1-39.6-177.600000112.3V547 V554 E555 H571 L572V547-A568 HydrophobicContact CG1-CB 4.06Å; V554-A568 HydrophobicContact CG2-CB 4.14Å; E555-A568 PolarHBondContact OE1-N 3Å; E555-A568 PolarHBondContact OE2-N 3.35Å; A568-H571 PolarHBondContact O-N 3.26Å; A568-L572 WeakPolarHBondContact O-CG 2.96Å; A568-L572 PolarHBondContact O-N 3.27Å
569Y89.6Confident83.5Confident5 Ų580.2 Ų80.22%0.0240%0.403CS..Hα-helixtrans-62.7-47.6175.7-178.9-103.7000113V373 I539 I545 V547 E555 H559 L562 I563 G567 H571 L572 Y573V373-Y569 HydrophobicContact CG2-CD2 4.01Å; V373-Y569 HydrophobicContact CG2-CE2 4.36Å; I539-Y569 HydrophobicContact CG2-CE2 3.97Å; I545-Y569 HydrophobicContact CD1-CE2 3.94Å; I545-Y569 HydrophobicContact CG2-CD2 3.88Å; I545-Y569 HydrophobicContact CG2-CE2 3.75Å; V547-Y569 HydrophobicContact CG2-CD2 4.23Å; V547-Y569 HydrophobicContact CG2-CG 4.49Å; E555-Y569 WeakPolarHBondContact OE2-CB 3.46Å; E555-Y569 PolarHBondContact OE2-N 3.41Å; H559-Y569 AromaticContact ND1-CE1 3.5Å; H559-Y569 AromaticContact ND1-CZ 3.6Å; H559-Y569 PolarHBondContact ND1-OH 3.15Å; L562-Y569 HydrophobicContact CB-CD1 3.31Å; L562-Y569 HydrophobicContact CB-CE1 4.04Å; L562-Y569 HydrophobicContact CB-CG 3.64Å; L562-Y569 HydrophobicContact CD1-CD1 4.14Å; L562-Y569 HydrophobicContact CD1-CD2 4.01Å; L562-Y569 HydrophobicContact CD1-CG 3.75Å; L562-Y569 HydrophobicContact CG-CD1 4.38Å; L562-Y569 HydrophobicContact CG-CG 4.34Å; I563-Y569 HydrophobicContact CD1-CD1 3.99Å; I563-Y569 HydrophobicContact CD1-CE1 3.74Å; I563-Y569 HydrophobicContact CG1-CD1 4.32Å; I563-Y569 HydrophobicContact CG1-CE1 3.95Å; G567-Y569 VanDerWaalsContact C-N 3.29Å; G567-Y569 PolarHBondContact O-N 3.47Å; Y569-H571 VanDerWaalsContact C-N 3.28Å; Y569-H571 PolarHBondContact O-N 2.69Å; Y569-L572 PolarHBondContact O-N 2.94Å; Y569-Y573 VanDerWaalsContact O-CB 3.32Å; Y569-Y573 WeakPolarHBondContact O-CB 3.49Å; Y569-Y573 PolarHBondContact O-N 3.34Å
570E88.9Confident83.1Confident62 Ų6282.2 Ų82.229%0.2941%0.414SS..Hα-helixtrans-62.9-39.8179.9-171.1-79.6164.800110.4I563 G567 Y573 S574I563-E570 HydrophobicContact CD1-CB 4.43Å; I563-E570 HydrophobicContact CD1-CG 4.27Å; G567-E570 PolarHBondContact O-N 2.91Å; E570-Y573 CarbonylContact O-C 3.5Å; E570-Y573 WeakPolarHBondContact O-CB 3.37Å; E570-Y573 PolarHBondContact O-N 3.41Å; E570-Y573 VanDerWaalsContact O-N 3.17Å; E570-S574 WeakPolarHBondContact O-CB 3.29Å; E570-S574 PolarHBondContact O-N 3.01Å
571H86.8Confident82.7Confident113 Ų11375.1 Ų75.152%0.52339%0.392SS..Hα-helixtrans-60.6-48.9175-173.254000111.8G567 A568 Y569 Y573 S574 I575G567-H571 PolarHBondContact O-N 3.3Å; A568-H571 PolarHBondContact O-N 3.26Å; Y569-H571 VanDerWaalsContact C-N 3.28Å; Y569-H571 PolarHBondContact O-N 2.69Å; H571-Y573 VanDerWaalsContact C-N 3.27Å; H571-Y573 PolarHBondContact O-N 3.22Å; H571-S574 PolarHBondContact O-N 3.48Å; H571-S574 PolarHBondContact O-OG 3.35Å; H571-I575 WeakPolarHBondContact O-CG1 3.39Å; H571-I575 PolarHBondContact O-N 2.87Å
572L83.8Confident82.1Confident38 Ų3873.4 Ų73.420%0.19939%0.387CS..Hα-helixtrans-59.3-39.6174.7-71.1169.9000112V547 A568 Y569 Q576V547-L572 HydrophobicContact CG1-CD1 4.22Å; A568-L572 WeakPolarHBondContact O-CG 2.96Å; A568-L572 PolarHBondContact O-N 3.27Å; Y569-L572 PolarHBondContact O-N 2.94Å; L572-Q576 PolarHBondContact O-N 3.31Å
573Y83.5Confident81.6Confident58 Ų5877.9 Ų77.923%0.22741%0.411CS..Hα-helixtrans-65.4-43.8178.4-173.1-95.9000111.9L536 H559 I563 Y569 E570 H571 I575 Q576 N577L536-Y573 HydrophobicContact CB-CE2 4.42Å; L536-Y573 HydrophobicContact CD1-CD2 3.82Å; L536-Y573 HydrophobicContact CD1-CE2 3.59Å; L536-Y573 HydrophobicContact CD1-CG 4.49Å; L536-Y573 HydrophobicContact CD2-CD2 3.43Å; L536-Y573 VanDerWaalsContact CD2-CD2 3.43Å; L536-Y573 HydrophobicContact CD2-CE2 3.87Å; L536-Y573 HydrophobicContact CD2-CG 4.32Å; L536-Y573 HydrophobicContact CG-CD2 4.17Å; L536-Y573 HydrophobicContact CG-CE2 4.15Å; H559-Y573 AromaticContact CE1-CD2 3.98Å; H559-Y573 AromaticContact CE1-CE2 3.57Å; H559-Y573 AromaticContact CE1-CZ 3.97Å; I563-Y573 HydrophobicContact CD1-CD1 3.58Å; I563-Y573 HydrophobicContact CD1-CD2 4.23Å; I563-Y573 HydrophobicContact CD1-CE1 4.13Å; I563-Y573 HydrophobicContact CD1-CG 3.66Å; Y569-Y573 VanDerWaalsContact O-CB 3.32Å; Y569-Y573 WeakPolarHBondContact O-CB 3.49Å; Y569-Y573 PolarHBondContact O-N 3.34Å; E570-Y573 CarbonylContact O-C 3.5Å; E570-Y573 WeakPolarHBondContact O-CB 3.37Å; E570-Y573 PolarHBondContact O-N 3.41Å; E570-Y573 VanDerWaalsContact O-N 3.17Å; H571-Y573 VanDerWaalsContact C-N 3.27Å; H571-Y573 PolarHBondContact O-N 3.22Å; Y573-I575 VanDerWaalsContact C-N 3.32Å; Y573-I575 PolarHBondContact O-N 2.9Å; Y573-Q576 PolarHBondContact O-N 2.96Å; Y573-N577 WeakPolarHBondContact CE1-ND2 3.19Å; Y573-N577 VanDerWaalsContact CZ-ND2 3.26Å; Y573-N577 PolarHBondContact O-N 3.14Å; Y573-N577 PolarHBondContact OH-ND2 2.84Å
574S82.9Confident81.1Confident40 Ų4079.7 Ų79.728%0.2842%0.421SS..Hα-helixtrans-62.4-37.2178.874.80000112.4E570 H571 Q576 N577 L578E570-S574 WeakPolarHBondContact O-CB 3.29Å; E570-S574 PolarHBondContact O-N 3.01Å; H571-S574 PolarHBondContact O-N 3.48Å; H571-S574 PolarHBondContact O-OG 3.35Å; S574-Q576 VanDerWaalsContact C-N 3.33Å; S574-Q576 PolarHBondContact O-N 3.47Å; S574-N577 PolarHBondContact O-N 3.33Å; S574-L578 PolarHBondContact O-N 2.84Å
575I79.2Confident80.4Confident90 Ų9079.6 Ų79.646%0.46240%0.403SS..Hα-helixtrans-66.2-34.7178.5-66.9166000111.8H571 Y573H571-I575 WeakPolarHBondContact O-CG1 3.39Å; H571-I575 PolarHBondContact O-N 2.87Å; Y573-I575 VanDerWaalsContact C-N 3.32Å; Y573-I575 PolarHBondContact O-N 2.9Å
576Q69.1Low79.7Confident83 Ų8376.2 Ų76.239%0.38839%0.393SS..Hα-helixtrans-83.8-16.1-178.7-67.5-167.111.200114H534 L536 L572 Y573 S574H534-Q576 PolarHBondContact O-NE2 3.34Å; H534-Q576 PolarHBondContact O-OE1 3.16Å; L536-Q576 HydrophobicContact CD1-CB 3.76Å; L536-Q576 HydrophobicContact CD2-CB 4.11Å; L536-Q576 HydrophobicContact CD2-CG 4.5Å; L536-Q576 VanDerWaalsContact CD2-OE1 3.3Å; L536-Q576 HydrophobicContact CG-CB 3.82Å; L572-Q576 PolarHBondContact O-N 3.31Å; Y573-Q576 PolarHBondContact O-N 2.96Å; S574-Q576 VanDerWaalsContact C-N 3.33Å; S574-Q576 PolarHBondContact O-N 3.47Å
577N63.7Low79.2Confident102 Ų10269.4 Ų69.455%0.54536%0.364SS..  trans-93.2-4.1174.3-86.8-20.8000113.6L536 Y573 S574L536-N577 WeakPolarHBondContact CD1-OD1 3.44Å; Y573-N577 WeakPolarHBondContact CE1-ND2 3.19Å; Y573-N577 VanDerWaalsContact CZ-ND2 3.26Å; Y573-N577 PolarHBondContact O-N 3.14Å; Y573-N577 PolarHBondContact OH-ND2 2.84Å; S574-N577 PolarHBondContact O-N 3.33Å
578L44.9Very low78.2Confident200 Ų20073.8 Ų73.8100%1.04738%0.378SS*.  trans-78.40166-78.8163000109.9S574S574-L578 PolarHBondContact O-N 2.84Å

Retrieved 578 of 578 residues in 117.4 ms (Link to these results)

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