A0A093HXN7_STRCA Loading...

IST1 homolog

ESCRT-III-like protein involved in cytokinesis, nuclear envelope reassembly and endosomal tubulation. Is required for efficient abscission during cytokinesis. Involved in recruiting VPS4A and/or VPS4B to the midbody of dividing cells. During late anaphase, involved in nuclear envelope reassembly and mitotic spindle disassembly together with the ESCRT-III complex: IST1 acts by mediating the recruitment of SPAST to the nuclear membrane, leading to microtubule severing. Recruited to the reforming nuclear envelope (NE) during anaphase by LEMD2. Regulates early endosomal tubulation together with the ESCRT-III complex by mediating the recruitment of SPAST.

AlphaFold DB , UniProt , Accession A0A093HXN7, Species STRCA (Struthio camelus australis), Gene n/a, Length 367 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
1M37Very low78.2Confident242 Ų24294.4 Ų94.4100%1.19253%0.529SS*.  0105.90-74-177.7162.900107.7G3M1-G3 PolarHBondContact O-N 2.71Å
2L49.4Very low79.6Confident180 Ų18092.8 Ų92.894%0.94251%0.509SS*.  trans-69.6111.1173.9-88.677.7000107.5S4L2-S4 PolarHBondContact O-N 3.33Å
3G52.5Low81Confident72 Ų7291.1 Ų91.174%0.74250%0.502SS*.  trans-58.2131.9174.200000109.9M1 G5M1-G3 PolarHBondContact O-N 2.71Å; G3-G5 PolarHBondContact O-N 3.42Å
4S67.4Low82.2Confident84 Ų8485.7 Ų85.759%0.58747%0.472SS*.  trans-57.7127172.9179.30000108.7L2 F6L2-S4 PolarHBondContact O-N 3.33Å; S4-F6 PolarHBondContact O-N 2.96Å; S4-F6 VanDerWaalsContact O-N 3.08Å; S4-F6 WeakPolarHBondContact OG-CB 3.36Å; S4-F6 PolarHBondContact OG-N 2.81Å
5G84.9Confident83.2Confident52 Ų5280 Ų8054%0.53644%0.441SS..SBendtrans-67.1-2.8176.400000113.8G3G3-G5 PolarHBondContact O-N 3.42Å
6F92.6Very high84.1Confident32 Ų3284.5 Ų84.514%0.1445%0.449CS..  trans-77.3127.2178.6175.9-111.3000111.8S4 A8 L11 I86 Q123 A126 K127S4-F6 PolarHBondContact O-N 2.96Å; S4-F6 VanDerWaalsContact O-N 3.08Å; S4-F6 WeakPolarHBondContact OG-CB 3.36Å; S4-F6 PolarHBondContact OG-N 2.81Å; F6-A8 HydrophobicContact CE1-CB 3.8Å; F6-A8 HydrophobicContact CZ-CB 3.93Å; F6-L11 HydrophobicContact CE2-CB 4.19Å; F6-L11 HydrophobicContact CE2-CD2 3.75Å; F6-L11 HydrophobicContact CZ-CD2 4.19Å; F6-I86 HydrophobicContact CZ-CG2 4.43Å; F6-Q123 HydrophobicContact CD2-CB 4.4Å; F6-Q123 WeakPolarHBondContact CD2-O 3.46Å; F6-A126 HydrophobicContact CB-CB 4.2Å; F6-K127 HydrophobicContact CB-CB 4.39Å; F6-K127 HydrophobicContact CD1-CD 3.69Å; F6-K127 HydrophobicContact CD2-CB 3.69Å; F6-K127 HydrophobicContact CD2-CD 4.31Å; F6-K127 HydrophobicContact CD2-CG 4.42Å; F6-K127 HydrophobicContact CE1-CD 3.73Å; F6-K127 HydrophobicContact CE2-CB 4.02Å; F6-K127 HydrophobicContact CE2-CD 4.34Å; F6-K127 HydrophobicContact CE2-CG 4.4Å; F6-K127 HydrophobicContact CG-CB 3.95Å; F6-K127 HydrophobicContact CG-CD 3.98Å; F6-K127 HydrophobicContact CG-CG 4.5Å; F6-K127 HydrophobicContact CZ-CD 4.05Å; F6-K127 HydrophobicContact CZ-CG 4.49Å
7K94.8Very high84.9Confident132 Ų13284.2 Ų84.257%0.57445%0.447SS*.  trans-121.9102175.4-65.6-175.6178.7-173.20108.4E9 R10 L11 Q123K7-E9 PolarHBondContact O-N 3.25Å; K7-R10 HydrophobicContact CB-CB 3.74Å; K7-R10 WeakPolarHBondContact O-CB 3.48Å; K7-R10 PolarHBondContact O-N 3.37Å; K7-R10 VanDerWaalsContact O-N 3.13Å; K7-L11 PolarHBondContact O-N 3.21Å; K7-Q123 PolarHBondContact O-OE1 3.28Å
8A94Very high85.6Confident19 Ų1979.6 Ų79.616%0.15742%0.423CS..Hα-helixtrans-55.3-50.5-175.200000112.6F6 R10 L11 R12 F83 Q87F6-A8 HydrophobicContact CE1-CB 3.8Å; F6-A8 HydrophobicContact CZ-CB 3.93Å; A8-R10 PolarHBondContact O-N 3.41Å; A8-L11 WeakPolarHBondContact O-CB 3.34Å; A8-L11 PolarHBondContact O-N 3.04Å; A8-R12 PolarHBondContact O-N 3.05Å; A8-F83 HydrophobicContact CB-CE1 4.2Å; A8-F83 HydrophobicContact CB-CZ 4.13Å; A8-F83 WeakPolarHBondContact O-CZ 3.38Å; A8-Q87 HydrophobicContact CB-CG 4.34Å
9E95.3Very high86.2Confident106 Ų10676.1 Ų76.150%0.49540%0.404SS..Hα-helixtrans-64-33.7-178.3-162.854.8-142.900112.2K7 L11 R12 V13K7-E9 PolarHBondContact O-N 3.25Å; E9-L11 PolarHBondContact O-N 3.05Å; E9-R12 PolarHBondContact O-N 3.12Å; E9-R12 IonicContact OE2-CZ 3.92Å; E9-R12 IonicContact OE2-NH1 3.04Å; E9-R12 PolarHBondContact OE2-NH1 2.8Å; E9-V13 WeakPolarHBondContact O-CG2 3.42Å; E9-V13 PolarHBondContact O-N 2.91Å
10R95.4Very high86.7Confident119 Ų11977.5 Ų77.545%0.44941%0.412SS..Hα-helixtrans-62.4-44.6172.9-172.3178.3179.8175.54.2111.2K7 A8 N14K7-R10 HydrophobicContact CB-CB 3.74Å; K7-R10 WeakPolarHBondContact O-CB 3.48Å; K7-R10 PolarHBondContact O-N 3.37Å; K7-R10 VanDerWaalsContact O-N 3.13Å; A8-R10 PolarHBondContact O-N 3.41Å; R10-N14 WeakPolarHBondContact O-CB 3.41Å; R10-N14 PolarHBondContact O-N 3.38Å; R10-N14 VanDerWaalsContact O-N 3.07Å; R10-N14 PolarHBondContact O-ND2 3.04Å
11L96.4Very high87.2Confident0 Ų078.6 Ų78.60%041%0.41CS..Hα-helixtrans-60.1-48.3175.4175.363.2000110.9F6 K7 A8 E9 V13 N14 L15 F83 I86 V120 Q123 L124F6-L11 HydrophobicContact CE2-CB 4.19Å; F6-L11 HydrophobicContact CE2-CD2 3.75Å; F6-L11 HydrophobicContact CZ-CD2 4.19Å; K7-L11 PolarHBondContact O-N 3.21Å; A8-L11 WeakPolarHBondContact O-CB 3.34Å; A8-L11 PolarHBondContact O-N 3.04Å; E9-L11 PolarHBondContact O-N 3.05Å; L11-V13 PolarHBondContact O-N 3.34Å; L11-N14 PolarHBondContact O-N 3.03Å; L11-L15 HydrophobicContact CD1-CD1 4.03Å; L11-L15 HydrophobicContact CD1-CG 4.03Å; L11-L15 HydrophobicContact CG-CD1 3.93Å; L11-L15 HydrophobicContact CG-CG 4.37Å; L11-L15 WeakPolarHBondContact O-CG 3.21Å; L11-L15 PolarHBondContact O-N 3.17Å; L11-F83 HydrophobicContact CB-CE2 4.26Å; L11-F83 HydrophobicContact CB-CZ 4.43Å; L11-F83 HydrophobicContact CD2-CE2 3.77Å; L11-F83 HydrophobicContact CD2-CZ 4.39Å; L11-F83 HydrophobicContact CG-CE2 3.89Å; L11-I86 HydrophobicContact CD2-CG2 4.21Å; L11-V120 HydrophobicContact CD1-CB 4.29Å; L11-V120 HydrophobicContact CD1-CG1 3.82Å; L11-V120 HydrophobicContact CD1-CG2 4.37Å; L11-Q123 HydrophobicContact CB-CB 4.06Å; L11-Q123 HydrophobicContact CB-CG 4.3Å; L11-Q123 HydrophobicContact CD1-CB 4.01Å; L11-Q123 HydrophobicContact CG-CB 4.49Å; L11-L124 HydrophobicContact CD1-CD2 4.4Å; L11-L124 HydrophobicContact CD1-CG 4.28Å; L11-L124 HydrophobicContact CD2-CD2 3.94Å
12R96.1Very high90.1Very high76 Ų7667.1 Ų67.129%0.28735%0.354SS..Hα-helixtrans-58.4-48.7-179.4179.2-176.7-79.7165.4-13112.5A8 E9 L15 R16 L80 F83A8-R12 PolarHBondContact O-N 3.05Å; E9-R12 PolarHBondContact O-N 3.12Å; E9-R12 IonicContact OE2-CZ 3.92Å; E9-R12 IonicContact OE2-NH1 3.04Å; E9-R12 PolarHBondContact OE2-NH1 2.8Å; R12-L15 PolarHBondContact O-N 3.04Å; R12-R16 PolarHBondContact O-N 3.03Å; R12-L80 HydrophobicContact CG-CD2 4Å; R12-F83 HydrophobicContact CB-CD2 4.49Å; R12-F83 HydrophobicContact CB-CE1 4.16Å; R12-F83 HydrophobicContact CB-CE2 3.98Å; R12-F83 HydrophobicContact CB-CZ 3.82Å
13V97.6Very high92.3Very high70 Ų7063.5 Ų63.542%0.42433%0.33SS..Hα-helixtrans-62.7-45178.9172.50000110.6E9 L11 L15 R16 L17E9-V13 WeakPolarHBondContact O-CG2 3.42Å; E9-V13 PolarHBondContact O-N 2.91Å; L11-V13 PolarHBondContact O-N 3.34Å; V13-L15 PolarHBondContact O-N 3.49Å; V13-R16 PolarHBondContact O-N 3.21Å; V13-L17 HydrophobicContact CG1-CD1 4.24Å; V13-L17 WeakPolarHBondContact O-CG 3.28Å; V13-L17 PolarHBondContact O-N 2.95Å
14N97.2Very high94.4Very high16 Ų1665.2 Ų65.29%0.08632%0.322CS..Hα-helixtrans-67.8-35.3-179.6-77.7-88.2000112.6R10 L11 R16 L17 V18 I119 V120R10-N14 WeakPolarHBondContact O-CB 3.41Å; R10-N14 PolarHBondContact O-N 3.38Å; R10-N14 VanDerWaalsContact O-N 3.07Å; R10-N14 PolarHBondContact O-ND2 3.04Å; L11-N14 PolarHBondContact O-N 3.03Å; N14-R16 VanDerWaalsContact C-N 3.32Å; N14-R16 PolarHBondContact O-N 3.38Å; N14-L17 PolarHBondContact O-N 3.24Å; N14-V18 VanDerWaalsContact O-CG2 3.3Å; N14-V18 WeakPolarHBondContact O-CG2 3.5Å; N14-V18 PolarHBondContact O-N 3.29Å; N14-I119 HydrophobicContact CB-CG2 4.46Å; N14-I119 WeakPolarHBondContact OD1-CD1 3.28Å; N14-V120 HydrophobicContact CB-CG2 3.76Å
15L97.5Very high95.7Very high0 Ų061.4 Ų61.40%030%0.295CS..Hα-helixtrans-59-43.2172.9-77.5168.8000111.7L11 R12 V13 V18 I19 C76 L79 L80 F83 V120L11-L15 HydrophobicContact CD1-CD1 4.03Å; L11-L15 HydrophobicContact CD1-CG 4.03Å; L11-L15 HydrophobicContact CG-CD1 3.93Å; L11-L15 HydrophobicContact CG-CG 4.37Å; L11-L15 WeakPolarHBondContact O-CG 3.21Å; L11-L15 PolarHBondContact O-N 3.17Å; R12-L15 PolarHBondContact O-N 3.04Å; V13-L15 PolarHBondContact O-N 3.49Å; L15-V18 PolarHBondContact O-N 3.25Å; L15-I19 WeakPolarHBondContact O-CG1 3.15Å; L15-I19 PolarHBondContact O-N 2.9Å; L15-C76 HydrophobicContact CD2-CB 4.11Å; L15-L79 HydrophobicContact CD1-CB 4.03Å; L15-L79 HydrophobicContact CD2-CB 4.46Å; L15-L79 HydrophobicContact CD2-CD1 4.41Å; L15-L80 HydrophobicContact CB-CD1 4.11Å; L15-L80 HydrophobicContact CB-CD2 3.77Å; L15-L80 HydrophobicContact CB-CG 3.81Å; L15-L80 HydrophobicContact CD1-CD2 3.94Å; L15-L80 HydrophobicContact CD1-CG 4.13Å; L15-F83 HydrophobicContact CD1-CD2 4.36Å; L15-F83 HydrophobicContact CD1-CE2 4.38Å; L15-V120 HydrophobicContact CD2-CG1 3.73Å; L15-V120 HydrophobicContact CD2-CG2 4.17Å; L15-V120 HydrophobicContact CG-CG1 4.38Å; L15-V120 HydrophobicContact CG-CG2 4.29Å
16R97.5Very high96.2Very high152 Ų15260 Ų6057%0.57427%0.274SS*.Hα-helixtrans-64.2-40.9175.9-68.4176.4177.9-122.6-1.2112.3R12 V13 N14 I19 N20 L80R12-R16 PolarHBondContact O-N 3.03Å; V13-R16 PolarHBondContact O-N 3.21Å; N14-R16 VanDerWaalsContact C-N 3.32Å; N14-R16 PolarHBondContact O-N 3.38Å; R16-I19 PolarHBondContact O-N 2.81Å; R16-N20 PolarHBondContact O-N 3.38Å; R16-N20 VanDerWaalsContact O-N 3.09Å; R16-N20 PolarHBondContact O-ND2 2.9Å; R16-L80 HydrophobicContact CG-CD1 3.7Å; R16-L80 HydrophobicContact CG-CD2 4.31Å
17L97.1Very high96.4Very high80 Ų8065.5 Ų65.542%0.41930%0.298SS..Hα-helixtrans-63.9-41.7175.8-68.1175000111.6V13 N14 N20 R21 E116V13-L17 HydrophobicContact CG1-CD1 4.24Å; V13-L17 WeakPolarHBondContact O-CG 3.28Å; V13-L17 PolarHBondContact O-N 2.95Å; N14-L17 PolarHBondContact O-N 3.24Å; L17-N20 PolarHBondContact O-N 3.39Å; L17-R21 VanDerWaalsContact O-CB 3.25Å; L17-R21 WeakPolarHBondContact O-CB 3.22Å; L17-R21 PolarHBondContact O-N 3.06Å; L17-E116 HydrophobicContact CB-CG 4.09Å; L17-E116 HydrophobicContact CD1-CG 4.44Å
18V97.8Very high96.4Very high0 Ų065.3 Ų65.30%030%0.297CS..Hα-helixtrans-59.5-49.7175.4169.80000110.6N14 L15 N20 R21 L22 V114 E116 L117 V120N14-V18 VanDerWaalsContact O-CG2 3.3Å; N14-V18 WeakPolarHBondContact O-CG2 3.5Å; N14-V18 PolarHBondContact O-N 3.29Å; L15-V18 PolarHBondContact O-N 3.25Å; V18-N20 PolarHBondContact O-N 3.4Å; V18-R21 WeakPolarHBondContact O-CB 3.43Å; V18-R21 PolarHBondContact O-N 3Å; V18-R21 VanDerWaalsContact O-N 3.12Å; V18-L22 HydrophobicContact CG1-CD1 3.62Å; V18-L22 HydrophobicContact CG1-CG 4.06Å; V18-L22 WeakPolarHBondContact O-CB 3.35Å; V18-L22 VanDerWaalsContact O-CG 3.29Å; V18-L22 WeakPolarHBondContact O-CG 3.39Å; V18-L22 PolarHBondContact O-N 3Å; V18-V114 HydrophobicContact CG1-CG1 4.3Å; V18-V114 HydrophobicContact CG2-CG1 4.13Å; V18-E116 HydrophobicContact CG2-CB 3.61Å; V18-L117 HydrophobicContact CG1-CD1 4.36Å; V18-L117 HydrophobicContact CG2-CB 4.37Å; V18-V120 HydrophobicContact CG2-CG2 3.97Å
19I97.3Very high96.5Very high13 Ų1365.7 Ų65.77%0.06730%0.296CS..Hα-helixtrans-55.9-50.2177.7-69.4167.7000111.1L15 R16 R21 L22 K23 E73 C76 D77 L80L15-I19 WeakPolarHBondContact O-CG1 3.15Å; L15-I19 PolarHBondContact O-N 2.9Å; R16-I19 PolarHBondContact O-N 2.81Å; I19-R21 VanDerWaalsContact C-N 3.27Å; I19-R21 PolarHBondContact O-N 2.91Å; I19-L22 PolarHBondContact O-N 3.41Å; I19-K23 HydrophobicContact CG2-CD 4.39Å; I19-K23 WeakPolarHBondContact O-CG 3.5Å; I19-K23 PolarHBondContact O-N 3.11Å; I19-K23 VanDerWaalsContact O-N 3.09Å; I19-E73 HydrophobicContact CG1-CG 4.34Å; I19-E73 HydrophobicContact CG2-CG 4.05Å; I19-C76 HydrophobicContact CD1-CB 3.93Å; I19-C76 HydrophobicContact CG1-CB 3.55Å; I19-D77 HydrophobicContact CD1-CB 4.21Å; I19-L80 HydrophobicContact CD1-CD1 3.47Å; I19-L80 VanDerWaalsContact CD1-CD1 3.47Å
20N97.1Very high96.5Very high105 Ų10563.3 Ų63.356%0.56129%0.288SS*.Hα-helixtrans-62.6-36.3179.8-69.1-25.8000112.3R16 L17 V18 L24R16-N20 PolarHBondContact O-N 3.38Å; R16-N20 VanDerWaalsContact O-N 3.09Å; R16-N20 PolarHBondContact O-ND2 2.9Å; L17-N20 PolarHBondContact O-N 3.39Å; V18-N20 PolarHBondContact O-N 3.4Å; N20-L24 PolarHBondContact O-N 2.96Å
21R96.8Very high96.5Very high100 Ų10062 Ų6238%0.37729%0.287SS..Hα-helixtrans-69.7-44178.2-178.960.5175.3-169.2-0.7111.7L17 V18 I19 L24 L25 E113 V114L17-R21 VanDerWaalsContact O-CB 3.25Å; L17-R21 WeakPolarHBondContact O-CB 3.22Å; L17-R21 PolarHBondContact O-N 3.06Å; V18-R21 WeakPolarHBondContact O-CB 3.43Å; V18-R21 PolarHBondContact O-N 3Å; V18-R21 VanDerWaalsContact O-N 3.12Å; I19-R21 VanDerWaalsContact C-N 3.27Å; I19-R21 PolarHBondContact O-N 2.91Å; R21-L24 PolarHBondContact O-N 3.26Å; R21-L25 HydrophobicContact CG-CD1 4.03Å; R21-L25 WeakPolarHBondContact O-CG 3.3Å; R21-L25 PolarHBondContact O-N 3.5Å; R21-E113 PolarHBondContact NE-O 3.4Å; R21-E113 PolarHBondContact NH2-O 3.48Å; R21-V114 HydrophobicContact CG-CG1 4.11Å; R21-V114 HydrophobicContact CG-CG2 4.17Å
22L96.6Very high96.4Very high1 Ų166.3 Ų66.31%0.00531%0.31CS..Hα-helixtrans-59.7-50.9177.8-70.3172.1000110.4V18 I19 L24 L25 E26 M69 L72 E73 V114V18-L22 HydrophobicContact CG1-CD1 3.62Å; V18-L22 HydrophobicContact CG1-CG 4.06Å; V18-L22 WeakPolarHBondContact O-CB 3.35Å; V18-L22 VanDerWaalsContact O-CG 3.29Å; V18-L22 WeakPolarHBondContact O-CG 3.39Å; V18-L22 PolarHBondContact O-N 3Å; I19-L22 PolarHBondContact O-N 3.41Å; L22-L24 VanDerWaalsContact C-N 3.28Å; L22-L24 PolarHBondContact O-N 2.74Å; L22-L25 CarbonylContact O-C 3.59Å; L22-L25 WeakPolarHBondContact O-CA 3.43Å; L22-L25 PolarHBondContact O-N 3.12Å; L22-E26 WeakPolarHBondContact O-CB 3.31Å; L22-E26 WeakPolarHBondContact O-CG 3.27Å; L22-E26 PolarHBondContact O-N 3.33Å; L22-M69 HydrophobicContact CD2-CB 3.85Å; L22-M69 HydrophobicContact CD2-CG 3.79Å; L22-M69 HydrophobicContact CD2-SD 4.05Å; L22-L72 HydrophobicContact CD1-CB 4.03Å; L22-E73 HydrophobicContact CD1-CB 4.09Å; L22-V114 HydrophobicContact CD2-CG2 3.93Å
23K96.3Very high96.3Very high105 Ų10563 Ų6346%0.45730%0.298SS..Hα-helixtrans-51.2-44.1174.7-71.6-176.8-179.5-172.50114I19 K27 E73I19-K23 HydrophobicContact CG2-CD 4.39Å; I19-K23 WeakPolarHBondContact O-CG 3.5Å; I19-K23 PolarHBondContact O-N 3.11Å; I19-K23 VanDerWaalsContact O-N 3.09Å; K23-K27 PolarHBondContact O-N 3.04Å; K23-E73 WeakPolarHBondContact CE-OE1 3.19Å; K23-E73 WeakPolarHBondContact CE-OE2 3.31Å; K23-E73 WeakPolarHBondContact CG-OE2 3.31Å; K23-E73 IonicContact NZ-OE1 3.12Å; K23-E73 PolarHBondContact NZ-OE1 2.96Å; K23-E73 VanDerWaalsContact NZ-OE1 3.12Å
24L96.2Very high96Very high107 Ų10763.5 Ų63.556%0.5630%0.296SS*.Hα-helixtrans-68.1-40.8179.4-178.564.4000111.4N20 R21 L22 K28N20-L24 PolarHBondContact O-N 2.96Å; R21-L24 PolarHBondContact O-N 3.26Å; L22-L24 VanDerWaalsContact C-N 3.28Å; L22-L24 PolarHBondContact O-N 2.74Å; L24-K28 VanDerWaalsContact O-CB 3.29Å; L24-K28 WeakPolarHBondContact O-CB 3.48Å; L24-K28 PolarHBondContact O-N 2.78Å
25L95.9Very high95.9Very high5 Ų569.2 Ų69.23%0.02632%0.32CS..Hα-helixtrans-70.1-43.7179.6-73.2173.2000111.9R21 L22 K27 K28 K29 M69 E113 V114R21-L25 HydrophobicContact CG-CD1 4.03Å; R21-L25 WeakPolarHBondContact O-CG 3.3Å; R21-L25 PolarHBondContact O-N 3.5Å; L22-L25 CarbonylContact O-C 3.59Å; L22-L25 WeakPolarHBondContact O-CA 3.43Å; L22-L25 PolarHBondContact O-N 3.12Å; L25-K27 PolarHBondContact O-N 3.26Å; L25-K28 PolarHBondContact O-N 3.42Å; L25-K29 WeakPolarHBondContact O-CB 3.32Å; L25-K29 WeakPolarHBondContact O-CG 3.04Å; L25-K29 PolarHBondContact O-N 3.44Å; L25-M69 HydrophobicContact CB-CE 4.28Å; L25-M69 HydrophobicContact CB-SD 3.62Å; L25-M69 HydrophobicContact CD1-SD 4.13Å; L25-E113 HydrophobicContact CD1-CB 4.05Å; L25-V114 HydrophobicContact CD1-CG2 3.62Å
26E95.8Very high95.8Very high22 Ų2269.6 Ų69.610%0.10332%0.323CS..Hα-helixtrans-54.1-52174.7-73.1160.6-161.900110.6L22 K28 K29 T30 V66 M69 E70L22-E26 WeakPolarHBondContact O-CB 3.31Å; L22-E26 WeakPolarHBondContact O-CG 3.27Å; L22-E26 PolarHBondContact O-N 3.33Å; E26-K28 PolarHBondContact O-N 3.06Å; E26-K29 PolarHBondContact O-N 3.38Å; E26-T30 VanDerWaalsContact O-CB 3.32Å; E26-T30 WeakPolarHBondContact O-CB 3.45Å; E26-T30 PolarHBondContact O-N 2.99Å; E26-T30 PolarHBondContact O-OG1 3.09Å; E26-V66 HydrophobicContact CB-CG1 4.4Å; E26-V66 HydrophobicContact CG-CG1 4.38Å; E26-M69 HydrophobicContact CG-CB 3.75Å; E26-M69 VanDerWaalsContact OE1-C 3.25Å; E26-E70 HydrophobicContact CG-CG 4.3Å; E26-E70 PolarHBondContact OE1-N 3.03Å
27K95.8Very high95.7Very high148 Ų14864 Ų6464%0.64330%0.302SS*.Hα-helixtrans-59.7-48.3176.2-174173-176.4171.70111.8K23 L25 K29 E31K23-K27 PolarHBondContact O-N 3.04Å; L25-K27 PolarHBondContact O-N 3.26Å; K27-K29 PolarHBondContact O-N 3.41Å; K27-E31 VanDerWaalsContact O-CG 3.26Å; K27-E31 WeakPolarHBondContact O-CG 3.42Å; K27-E31 PolarHBondContact O-N 3.43Å; K27-E31 VanDerWaalsContact O-N 3.13Å
28K96Very high95.6Very high128 Ų12866 Ų6656%0.55731%0.307SS*.Hα-helixtrans-61.9-43.8-179.1-179.8-174.7174.7-170.90112L24 L25 E26 L32L24-K28 VanDerWaalsContact O-CB 3.29Å; L24-K28 WeakPolarHBondContact O-CB 3.48Å; L24-K28 PolarHBondContact O-N 2.78Å; L25-K28 PolarHBondContact O-N 3.42Å; E26-K28 PolarHBondContact O-N 3.06Å; K28-L32 HydrophobicContact CG-CD1 4.29Å; K28-L32 WeakPolarHBondContact O-CG 3.47Å; K28-L32 PolarHBondContact O-N 3.33Å; K28-L32 VanDerWaalsContact O-N 3.12Å
29K95.3Very high95.5Very high27 Ų2769.9 Ų69.912%0.11733%0.326CS..Hα-helixtrans-70.6-41.2-177.1-72.5-88.3-173.1175.50110.9L25 E26 K27 E31 L32 A33 E62 L65 V66 E113L25-K29 WeakPolarHBondContact O-CB 3.32Å; L25-K29 WeakPolarHBondContact O-CG 3.04Å; L25-K29 PolarHBondContact O-N 3.44Å; E26-K29 PolarHBondContact O-N 3.38Å; K27-K29 PolarHBondContact O-N 3.41Å; K29-E31 PolarHBondContact O-N 3.09Å; K29-L32 PolarHBondContact O-N 2.98Å; K29-A33 WeakPolarHBondContact O-CB 3.29Å; K29-A33 PolarHBondContact O-N 2.84Å; K29-E62 WeakPolarHBondContact CD-OE2 3.29Å; K29-E62 WeakPolarHBondContact CE-OE2 3.35Å; K29-E62 IonicContact NZ-OE1 3.76Å; K29-E62 IonicContact NZ-OE2 3.64Å; K29-E62 PolarHBondContact NZ-OE2 3.5Å; K29-L65 HydrophobicContact CD-CD2 4.47Å; K29-V66 HydrophobicContact CB-CG2 3.48Å; K29-V66 VanDerWaalsContact CB-CG2 3.48Å; K29-V66 HydrophobicContact CG-CG2 4.48Å; K29-E113 IonicContact NZ-OE1 2.72Å; K29-E113 PolarHBondContact NZ-OE1 3.11Å
30T94.2Very high95.5Very high56 Ų5669.2 Ų69.234%0.34432%0.322SS..Hα-helixtrans-59-45.3174.2-56.70000111.7E26 L32 A33 Q34E26-T30 VanDerWaalsContact O-CB 3.32Å; E26-T30 WeakPolarHBondContact O-CB 3.45Å; E26-T30 PolarHBondContact O-N 2.99Å; E26-T30 PolarHBondContact O-OG1 3.09Å; T30-L32 PolarHBondContact O-N 3.28Å; T30-A33 WeakPolarHBondContact O-CB 3.5Å; T30-A33 PolarHBondContact O-N 3.38Å; T30-Q34 WeakPolarHBondContact O-CG 3.46Å; T30-Q34 PolarHBondContact O-N 3.47Å
31E95.4Very high95.4Very high92 Ų9264.4 Ų64.443%0.4330%0.297SS..Hα-helixtrans-63.3-40176.2-71.4-68.4153.200112.8K27 K29 K35K27-E31 VanDerWaalsContact O-CG 3.26Å; K27-E31 WeakPolarHBondContact O-CG 3.42Å; K27-E31 PolarHBondContact O-N 3.43Å; K27-E31 VanDerWaalsContact O-N 3.13Å; K29-E31 PolarHBondContact O-N 3.09Å; E31-K35 WeakPolarHBondContact O-CG 3.46Å; E31-K35 PolarHBondContact O-N 3.46Å
32L94.9Very high95.4Very high89 Ų8964.2 Ų64.247%0.46630%0.304SS..Hα-helixtrans-67.5-38.5175.4-72.5172.8000111.8K28 K29 T30 K35 A36K28-L32 HydrophobicContact CG-CD1 4.29Å; K28-L32 WeakPolarHBondContact O-CG 3.47Å; K28-L32 PolarHBondContact O-N 3.33Å; K28-L32 VanDerWaalsContact O-N 3.12Å; K29-L32 PolarHBondContact O-N 2.98Å; T30-L32 PolarHBondContact O-N 3.28Å; L32-K35 PolarHBondContact O-N 3.38Å; L32-A36 WeakPolarHBondContact O-CB 3.38Å; L32-A36 PolarHBondContact O-N 2.78Å
33A93.3Very high95.4Very high6 Ų667.1 Ų67.15%0.0532%0.315CS..Hα-helixtrans-62.7-44.1175.900000111.1K29 T30 K35 A36 R37K29-A33 WeakPolarHBondContact O-CB 3.29Å; K29-A33 PolarHBondContact O-N 2.84Å; T30-A33 WeakPolarHBondContact O-CB 3.5Å; T30-A33 PolarHBondContact O-N 3.38Å; A33-K35 VanDerWaalsContact C-N 3.34Å; A33-K35 PolarHBondContact O-N 2.95Å; A33-A36 PolarHBondContact O-N 2.7Å; A33-R37 WeakPolarHBondContact O-CG 3.12Å; A33-R37 PolarHBondContact O-N 2.89Å
34Q93Very high95.3Very high82 Ų8262.4 Ų62.438%0.38330%0.295SS..Hα-helixtrans-59.5-42.6175.1-71.8-174.47.500112.5T30 R37 K38T30-Q34 WeakPolarHBondContact O-CG 3.46Å; T30-Q34 PolarHBondContact O-N 3.47Å; Q34-R37 PolarHBondContact O-N 2.91Å; Q34-K38 PolarHBondContact O-N 3.31Å
35K95.3Very high95.3Very high136 Ų13660.7 Ų60.759%0.59130%0.296SS*.Hα-helixtrans-63.7-42.8175-70178.2-174.9-179.40111.9E31 L32 A33 R37 K38 E39E31-K35 WeakPolarHBondContact O-CG 3.46Å; E31-K35 PolarHBondContact O-N 3.46Å; L32-K35 PolarHBondContact O-N 3.38Å; A33-K35 VanDerWaalsContact C-N 3.34Å; A33-K35 PolarHBondContact O-N 2.95Å; K35-R37 VanDerWaalsContact C-N 3.32Å; K35-R37 PolarHBondContact O-N 3.45Å; K35-K38 WeakPolarHBondContact O-CB 2.71Å; K35-K38 PolarHBondContact O-N 2.93Å; K35-E39 PolarHBondContact O-N 3.11Å; K35-E39 VanDerWaalsContact O-N 3.13Å
36A95.1Very high95.2Very high7 Ų763.4 Ų63.46%0.05832%0.319CS..Hα-helixtrans-65.2-34.9177.400000112.2L32 A33 K38 E39 I40 I59L32-A36 WeakPolarHBondContact O-CB 3.38Å; L32-A36 PolarHBondContact O-N 2.78Å; A33-A36 PolarHBondContact O-N 2.7Å; A36-K38 VanDerWaalsContact C-N 3.31Å; A36-K38 PolarHBondContact O-N 2.99Å; A36-E39 WeakPolarHBondContact O-CB 3.38Å; A36-E39 PolarHBondContact O-N 2.75Å; A36-I40 WeakPolarHBondContact O-CG1 3.42Å; A36-I40 PolarHBondContact O-N 3.01Å; A36-I59 VanDerWaalsContact C-CD1 3.41Å; A36-I59 HydrophobicContact CB-CD1 3.47Å; A36-I59 VanDerWaalsContact CB-CD1 3.47Å; A36-I59 HydrophobicContact CB-CG1 3.89Å
37R95.3Very high95.1Very high35 Ų3565 Ų6513%0.13234%0.342CS..Hα-helixtrans-63.1-37.3174.1-70.9174.2-167.7171.81.9111.6A33 Q34 K35 I40 A41 I59 D63 I169 Y173A33-R37 WeakPolarHBondContact O-CG 3.12Å; A33-R37 PolarHBondContact O-N 2.89Å; Q34-R37 PolarHBondContact O-N 2.91Å; K35-R37 VanDerWaalsContact C-N 3.32Å; K35-R37 PolarHBondContact O-N 3.45Å; R37-I40 WeakPolarHBondContact O-CB 3.38Å; R37-I40 PolarHBondContact O-N 3.42Å; R37-A41 PolarHBondContact O-N 3.3Å; R37-A41 VanDerWaalsContact O-N 3.09Å; R37-I59 HydrophobicContact CB-CD1 4.44Å; R37-I59 HydrophobicContact CG-CD1 3.81Å; R37-I59 HydrophobicContact CG-CG2 4.16Å; R37-D63 IonicContact CZ-OD2 2.76Å; R37-D63 VanDerWaalsContact NH2-CG 3.29Å; R37-D63 IonicContact NH2-OD1 3.19Å; R37-D63 PolarHBondContact NH2-OD1 3.14Å; R37-D63 IonicContact NH2-OD2 2.75Å; R37-D63 PolarHBondContact NH2-OD2 3.31Å; R37-I169 HydrophobicContact CB-CD1 4.38Å; R37-I169 HydrophobicContact CB-CG1 4.44Å; R37-I169 HydrophobicContact CG-CD1 4.06Å; R37-I169 HydrophobicContact CG-CG1 4.32Å; R37-Y173 HydrophobicContact CB-CE2 4.41Å
38K95.3Very high95.1Very high121 Ų12163.8 Ų63.853%0.52634%0.336SS..Hα-helixtrans-63.2-44.1171.5-173.6178.1177.7177.90112.2Q34 K35 A36 I40 A41 D42 Y173Q34-K38 PolarHBondContact O-N 3.31Å; K35-K38 WeakPolarHBondContact O-CB 2.71Å; K35-K38 PolarHBondContact O-N 2.93Å; A36-K38 VanDerWaalsContact C-N 3.31Å; A36-K38 PolarHBondContact O-N 2.99Å; K38-I40 PolarHBondContact O-N 3.49Å; K38-A41 WeakPolarHBondContact O-CB 3.4Å; K38-A41 PolarHBondContact O-N 2.83Å; K38-A41 VanDerWaalsContact O-N 3.12Å; K38-D42 PolarHBondContact O-N 3.29Å; K38-D42 VanDerWaalsContact O-N 3.07Å; K38-Y173 HydrophobicContact CB-CE1 4.04Å; K38-Y173 HydrophobicContact CG-CE1 4Å
39E95.6Very high94.9Very high82 Ų8260.3 Ų60.338%0.38332%0.324SS..Hα-helixtrans-59.5-35.4175.2-64.8171.6174.500112.2K35 A36 D42 Y43 R55K35-E39 PolarHBondContact O-N 3.11Å; K35-E39 VanDerWaalsContact O-N 3.13Å; A36-E39 WeakPolarHBondContact O-CB 3.38Å; A36-E39 PolarHBondContact O-N 2.75Å; E39-D42 PolarHBondContact O-N 3.06Å; E39-Y43 WeakPolarHBondContact O-CD2 3.05Å; E39-Y43 PolarHBondContact O-N 2.94Å; E39-Y43 VanDerWaalsContact O-N 3.07Å; E39-R55 IonicContact OE2-CZ 3.79Å; E39-R55 IonicContact OE2-NE 3.17Å; E39-R55 IonicContact OE2-NH2 3.05Å; E39-R55 PolarHBondContact OE2-NH2 3.05Å
40I96.1Very high94.7Very high0 Ų064.7 Ų64.70%035%0.345CS..Hα-helixtrans-65.4-44.7174.5-69.5178.8000110.9A36 R37 K38 D42 Y43 L44 A52 R55 V56 I59 L166 I169A36-I40 WeakPolarHBondContact O-CG1 3.42Å; A36-I40 PolarHBondContact O-N 3.01Å; R37-I40 WeakPolarHBondContact O-CB 3.38Å; R37-I40 PolarHBondContact O-N 3.42Å; K38-I40 PolarHBondContact O-N 3.49Å; I40-D42 PolarHBondContact O-N 2.9Å; I40-Y43 WeakPolarHBondContact O-CA 3.32Å; I40-Y43 WeakPolarHBondContact O-CB 3.43Å; I40-Y43 PolarHBondContact O-N 2.95Å; I40-L44 HydrophobicContact CG2-CD1 4.21Å; I40-L44 HydrophobicContact CG2-CG 4.32Å; I40-L44 WeakPolarHBondContact O-CG 3.43Å; I40-L44 PolarHBondContact O-N 2.98Å; I40-A52 HydrophobicContact CG2-CB 4.17Å; I40-R55 HydrophobicContact CD1-CB 4.3Å; I40-R55 HydrophobicContact CD1-CG 4.03Å; I40-R55 HydrophobicContact CG1-CB 4.02Å; I40-R55 HydrophobicContact CG1-CG 3.63Å; I40-V56 HydrophobicContact CD1-CB 3.7Å; I40-V56 HydrophobicContact CD1-CG2 3.81Å; I40-I59 HydrophobicContact CD1-CD1 3.25Å; I40-I59 HydrophobicContact CD1-CG1 4.03Å; I40-I59 HydrophobicContact CG1-CD1 4.1Å; I40-L166 HydrophobicContact CG2-CD2 3.73Å; I40-I169 HydrophobicContact CB-CD1 4.41Å; I40-I169 HydrophobicContact CB-CG2 4.32Å; I40-I169 HydrophobicContact CD1-CD1 3.98Å; I40-I169 HydrophobicContact CG2-CD1 4.07Å; I40-I169 HydrophobicContact CG2-CG2 3.99Å
41A96.1Very high94.7Very high3 Ų368.5 Ų68.53%0.02535%0.353CS..Hα-helixtrans-57.6-39.3175.700000111.7R37 K38 Y43 L44 A45 I169 Y173 V175R37-A41 PolarHBondContact O-N 3.3Å; R37-A41 VanDerWaalsContact O-N 3.09Å; K38-A41 WeakPolarHBondContact O-CB 3.4Å; K38-A41 PolarHBondContact O-N 2.83Å; K38-A41 VanDerWaalsContact O-N 3.12Å; A41-Y43 VanDerWaalsContact C-N 3.35Å; A41-Y43 PolarHBondContact O-N 3.18Å; A41-L44 PolarHBondContact O-N 3.47Å; A41-A45 WeakPolarHBondContact O-CB 3.45Å; A41-A45 PolarHBondContact O-N 3.2Å; A41-I169 HydrophobicContact CB-CG2 4.24Å; A41-Y173 HydrophobicContact CB-CD1 4.06Å; A41-Y173 HydrophobicContact CB-CD2 3.68Å; A41-Y173 HydrophobicContact CB-CE2 4.38Å; A41-Y173 HydrophobicContact CB-CG 3.49Å; A41-Y173 VanDerWaalsContact CB-CG 3.49Å; A41-V175 HydrophobicContact CB-CG2 4.32Å
42D96.3Very high94.7Very high97 Ų9764.1 Ų64.152%0.51933%0.332SS..Hα-helixtrans-64.2-37.1174.5-63.5-30.5000112.2K38 E39 I40 A46K38-D42 PolarHBondContact O-N 3.29Å; K38-D42 VanDerWaalsContact O-N 3.07Å; E39-D42 PolarHBondContact O-N 3.06Å; I40-D42 PolarHBondContact O-N 2.9Å; D42-A46 WeakPolarHBondContact O-CB 3.37Å; D42-A46 PolarHBondContact O-N 3.29Å; D42-A46 VanDerWaalsContact O-N 3.11Å
43Y96.3Very high94.7Very high61 Ų6162.4 Ų62.424%0.23932%0.32CS..Hα-helixtrans-67.1-41.7174.1-70.2-38.9000113E39 I40 A41 A46 G47 K48 R51 R55E39-Y43 WeakPolarHBondContact O-CD2 3.05Å; E39-Y43 PolarHBondContact O-N 2.94Å; E39-Y43 VanDerWaalsContact O-N 3.07Å; I40-Y43 WeakPolarHBondContact O-CA 3.32Å; I40-Y43 WeakPolarHBondContact O-CB 3.43Å; I40-Y43 PolarHBondContact O-N 2.95Å; A41-Y43 VanDerWaalsContact C-N 3.35Å; A41-Y43 PolarHBondContact O-N 3.18Å; Y43-A46 CarbonylContact O-C 3.6Å; Y43-A46 PolarHBondContact O-N 3.2Å; Y43-G47 PolarHBondContact O-N 3.09Å; Y43-K48 HydrophobicContact CD1-CD 4.43Å; Y43-K48 PolarHBondContact O-N 3.33Å; Y43-R51 HydrophobicContact CD1-CG 4.17Å; Y43-R51 HydrophobicContact CD2-CG 3.98Å; Y43-R51 HydrophobicContact CE1-CG 4.06Å; Y43-R51 HydrophobicContact CE2-CG 3.84Å; Y43-R51 HydrophobicContact CG-CG 4.14Å; Y43-R55 HydrophobicContact CE2-CB 4.42Å; Y43-R55 HydrophobicContact CE2-CG 4.31Å
44L95.1Very high94.7Very high7 Ų766.4 Ų66.44%0.03734%0.339CS..Hα-helixtrans-63.6-43.1175.7-66.1179.5000110.8I40 A41 A46 G47 A52 L166 A170 V175 Y177I40-L44 HydrophobicContact CG2-CD1 4.21Å; I40-L44 HydrophobicContact CG2-CG 4.32Å; I40-L44 WeakPolarHBondContact O-CG 3.43Å; I40-L44 PolarHBondContact O-N 2.98Å; A41-L44 PolarHBondContact O-N 3.47Å; L44-A46 PolarHBondContact O-N 3.48Å; L44-G47 PolarHBondContact O-N 3.32Å; L44-A52 HydrophobicContact CD2-CB 3.55Å; L44-A52 HydrophobicContact CG-CB 4.05Å; L44-L166 HydrophobicContact CD1-CD2 4.42Å; L44-L166 HydrophobicContact CD2-CD2 4.45Å; L44-A170 HydrophobicContact CD1-CB 4.02Å; L44-V175 HydrophobicContact CB-CG1 3.78Å; L44-Y177 HydrophobicContact CD1-CD2 4.47Å; L44-Y177 HydrophobicContact CD1-CG 4.48Å; L44-Y177 HydrophobicContact CD2-CD2 3.58Å; L44-Y177 HydrophobicContact CD2-CE2 3.85Å; L44-Y177 HydrophobicContact CD2-CG 4.36Å
45A94.9Very high94.7Very high70 Ų7065.7 Ų65.758%0.57933%0.333SS*.Hα-helixtrans-64.2-28.4177.200000112.7A41 G47 V175A41-A45 WeakPolarHBondContact O-CB 3.45Å; A41-A45 PolarHBondContact O-N 3.2Å; A45-G47 VanDerWaalsContact C-N 3.31Å; A45-V175 HydrophobicContact CB-CG1 3.94Å; A45-V175 HydrophobicContact CB-CG2 4.38Å
46A95.3Very high94.8Very high62 Ų6259.2 Ų59.251%0.51231%0.305SS..THydrogen-bonded Turntrans-84.61.6174.500000114D42 Y43 L44 K48D42-A46 WeakPolarHBondContact O-CB 3.37Å; D42-A46 PolarHBondContact O-N 3.29Å; D42-A46 VanDerWaalsContact O-N 3.11Å; Y43-A46 CarbonylContact O-C 3.6Å; Y43-A46 PolarHBondContact O-N 3.2Å; L44-A46 PolarHBondContact O-N 3.48Å; A46-K48 VanDerWaalsContact C-N 3.33Å; A46-K48 HydrophobicContact CB-CD 4.36Å; A46-K48 HydrophobicContact CB-CG 4.27Å; A46-K48 PolarHBondContact O-N 3.02Å
47G92.7Very high94.8Very high57 Ų5761.9 Ų61.959%0.58832%0.316SS*.THydrogen-bonded Turntrans68.426.4-177.600000114.2Y43 L44 A45Y43-G47 PolarHBondContact O-N 3.09Å; L44-G47 PolarHBondContact O-N 3.32Å; A45-G47 VanDerWaalsContact C-N 3.31Å
48K95.2Very high94.7Very high121 Ų12163.5 Ų63.553%0.52633%0.325SS..  trans-101.258.8-178.1-63.9-179.9-178.6173.70111.5Y43 A46 E50 R51 A52Y43-K48 HydrophobicContact CD1-CD 4.43Å; Y43-K48 PolarHBondContact O-N 3.33Å; A46-K48 VanDerWaalsContact C-N 3.33Å; A46-K48 HydrophobicContact CB-CD 4.36Å; A46-K48 HydrophobicContact CB-CG 4.27Å; A46-K48 PolarHBondContact O-N 3.02Å; K48-E50 VanDerWaalsContact C-N 3.34Å; K48-E50 PolarHBondContact O-N 3.45Å; K48-R51 HydrophobicContact CB-CB 4.15Å; K48-R51 WeakPolarHBondContact O-CB 3.43Å; K48-R51 PolarHBondContact O-N 3.33Å; K48-R51 VanDerWaalsContact O-N 3.09Å; K48-A52 PolarHBondContact O-N 2.88Å
49D92.3Very high94.7Very high56 Ų5657.9 Ų57.930%0.29930%0.301SS..Hα-helixtrans-61.2-39.6-169.9-57-18.5000113.2R51 A52 R53D49-R51 VanDerWaalsContact C-N 3.29Å; D49-R51 PolarHBondContact O-N 3.48Å; D49-A52 WeakPolarHBondContact O-CB 3.38Å; D49-A52 PolarHBondContact O-N 3.44Å; D49-A52 VanDerWaalsContact O-N 3.1Å; D49-R53 PolarHBondContact O-N 3.34Å
50E92.3Very high94.6Very high118 Ų11854 Ų5455%0.55128%0.282SS*.Hα-helixtrans-65-36.4178.8-16857.2-156.600112.2K48 A52 R53 I54K48-E50 VanDerWaalsContact C-N 3.34Å; K48-E50 PolarHBondContact O-N 3.45Å; E50-A52 VanDerWaalsContact C-N 3.34Å; E50-R53 PolarHBondContact O-N 3.44Å; E50-R53 IonicContact OE2-NH1 2.74Å; E50-R53 PolarHBondContact OE2-NH1 3.08Å; E50-I54 WeakPolarHBondContact O-CG1 3.38Å; E50-I54 PolarHBondContact O-N 3.27Å
51R94.1Very high94.5Very high136 Ų13659.6 Ų59.651%0.51330%0.304SS..Hα-helixtrans-68.3-37.7174.3-177.260.2175.9-174.71.4111Y43 K48 D49 R55Y43-R51 HydrophobicContact CD1-CG 4.17Å; Y43-R51 HydrophobicContact CD2-CG 3.98Å; Y43-R51 HydrophobicContact CE1-CG 4.06Å; Y43-R51 HydrophobicContact CE2-CG 3.84Å; Y43-R51 HydrophobicContact CG-CG 4.14Å; K48-R51 HydrophobicContact CB-CB 4.15Å; K48-R51 WeakPolarHBondContact O-CB 3.43Å; K48-R51 PolarHBondContact O-N 3.33Å; K48-R51 VanDerWaalsContact O-N 3.09Å; D49-R51 VanDerWaalsContact C-N 3.29Å; D49-R51 PolarHBondContact O-N 3.48Å; R51-R55 WeakPolarHBondContact O-CB 3.44Å; R51-R55 PolarHBondContact O-N 3.4Å
52A95.2Very high94.4Very high0 Ų061.5 Ų61.50%031%0.312CS..Hα-helixtrans-64.4-43.8175.900000111.7I40 L44 K48 D49 E50 R55 V56 L166I40-A52 HydrophobicContact CG2-CB 4.17Å; L44-A52 HydrophobicContact CD2-CB 3.55Å; L44-A52 HydrophobicContact CG-CB 4.05Å; K48-A52 PolarHBondContact O-N 2.88Å; D49-A52 WeakPolarHBondContact O-CB 3.38Å; D49-A52 PolarHBondContact O-N 3.44Å; D49-A52 VanDerWaalsContact O-N 3.1Å; E50-A52 VanDerWaalsContact C-N 3.34Å; A52-R55 PolarHBondContact O-N 3.29Å; A52-V56 WeakPolarHBondContact O-CB 3.32Å; A52-V56 PolarHBondContact O-N 3.47Å; A52-L166 HydrophobicContact CB-CD2 4.03Å
53R93.5Very high94.3Very high53 Ų5357.7 Ų57.720%0.229%0.292CS..Hα-helixtrans-57.5-51.2174.9-73.3-175.6-168.7103.87.8112.5D49 E50 R55 V56 E57 V162 E163 L166D49-R53 PolarHBondContact O-N 3.34Å; E50-R53 PolarHBondContact O-N 3.44Å; E50-R53 IonicContact OE2-NH1 2.74Å; E50-R53 PolarHBondContact OE2-NH1 3.08Å; R53-R55 VanDerWaalsContact C-N 3.26Å; R53-R55 PolarHBondContact O-N 3.17Å; R53-V56 VanDerWaalsContact O-CG1 3.29Å; R53-V56 WeakPolarHBondContact O-CG1 3.4Å; R53-V56 PolarHBondContact O-N 3.28Å; R53-E57 PolarHBondContact O-N 3.39Å; R53-V162 HydrophobicContact CB-CG1 4.3Å; R53-V162 HydrophobicContact CG-CG1 4.21Å; R53-E163 IonicContact CZ-OE1 3.67Å; R53-E163 IonicContact NE-OE1 3.52Å; R53-E163 PolarHBondContact NE-OE1 3.08Å; R53-E163 IonicContact NH2-OE1 2.92Å; R53-L166 HydrophobicContact CB-CD1 4.43Å; R53-L166 HydrophobicContact CG-CD1 3.56Å
54I93.5Very high94.2Very high91 Ų9156.6 Ų56.647%0.46729%0.287SS..Hα-helixtrans-62.4-38.1178.4-63.4168000110.9E50E50-I54 WeakPolarHBondContact O-CG1 3.38Å; E50-I54 PolarHBondContact O-N 3.27Å
55R94.7Very high94.2Very high67 Ų6757.6 Ų57.625%0.25329%0.293SS..Hα-helixtrans-69.4-37.4179-172.957.7169.7151.2-0.1111.9E39 I40 Y43 R51 A52 R53 H58 I59E39-R55 IonicContact OE2-CZ 3.79Å; E39-R55 IonicContact OE2-NE 3.17Å; E39-R55 IonicContact OE2-NH2 3.05Å; E39-R55 PolarHBondContact OE2-NH2 3.05Å; I40-R55 HydrophobicContact CD1-CB 4.3Å; I40-R55 HydrophobicContact CD1-CG 4.03Å; I40-R55 HydrophobicContact CG1-CB 4.02Å; I40-R55 HydrophobicContact CG1-CG 3.63Å; Y43-R55 HydrophobicContact CE2-CB 4.42Å; Y43-R55 HydrophobicContact CE2-CG 4.31Å; R51-R55 WeakPolarHBondContact O-CB 3.44Å; R51-R55 PolarHBondContact O-N 3.4Å; A52-R55 PolarHBondContact O-N 3.29Å; R53-R55 VanDerWaalsContact C-N 3.26Å; R53-R55 PolarHBondContact O-N 3.17Å; R55-H58 PolarHBondContact NH1-CD2 3.05Å; R55-H58 WeakPolarHBondContact O-CB 3.45Å; R55-H58 PolarHBondContact O-N 3.09Å; R55-I59 PolarHBondContact O-N 3.43Å
56V96.1Very high94.2Very high0 Ų054.8 Ų54.80%027%0.268CS..Hα-helixtrans-70.5-34.1-178.786.40000112.3I40 A52 R53 H58 I59 I60 V162 Y165 L166 I169I40-V56 HydrophobicContact CD1-CB 3.7Å; I40-V56 HydrophobicContact CD1-CG2 3.81Å; A52-V56 WeakPolarHBondContact O-CB 3.32Å; A52-V56 PolarHBondContact O-N 3.47Å; R53-V56 VanDerWaalsContact O-CG1 3.29Å; R53-V56 WeakPolarHBondContact O-CG1 3.4Å; R53-V56 PolarHBondContact O-N 3.28Å; V56-H58 PolarHBondContact O-N 3.23Å; V56-I59 WeakPolarHBondContact O-CA 3.15Å; V56-I59 PolarHBondContact O-N 3.25Å; V56-I60 HydrophobicContact CG1-CD1 4.42Å; V56-I60 WeakPolarHBondContact O-CG1 3.45Å; V56-I60 PolarHBondContact O-N 3.05Å; V56-V162 HydrophobicContact CG1-CB 4.19Å; V56-V162 HydrophobicContact CG1-CG1 3.58Å; V56-V162 HydrophobicContact CG1-CG2 4.3Å; V56-Y165 HydrophobicContact CG2-CD1 3.96Å; V56-Y165 HydrophobicContact CG2-CG 4.2Å; V56-L166 HydrophobicContact CB-CD2 3.97Å; V56-L166 HydrophobicContact CB-CG 4.41Å; V56-L166 HydrophobicContact CG1-CD1 4.38Å; V56-L166 HydrophobicContact CG1-CD2 4.06Å; V56-L166 HydrophobicContact CG1-CG 4.01Å; V56-L166 HydrophobicContact CG2-CD2 4.23Å; V56-I169 HydrophobicContact CG2-CD1 3.95Å
57E94.4Very high94.2Very high63 Ų6353 Ų5329%0.29425%0.249SC..Hα-helixtrans-57.3-33.7172.4-74.4-179.6-155.600112.8R53 R61 V162R53-E57 PolarHBondContact O-N 3.39Å; E57-R61 WeakPolarHBondContact O-CG 3.31Å; E57-R61 PolarHBondContact O-N 3.13Å; E57-R61 PolarHBondContact O-NE 3.01Å; E57-V162 HydrophobicContact CG-CG2 3.66Å
58H93.7Very high94.3Very high69 Ų6950.2 Ų50.232%0.31922%0.221SC..Hα-helixtrans-71.6-40.9174.2-178.670.3000111.5R55 V56 R61 E62R55-H58 PolarHBondContact NH1-CD2 3.05Å; R55-H58 WeakPolarHBondContact O-CB 3.45Å; R55-H58 PolarHBondContact O-N 3.09Å; V56-H58 PolarHBondContact O-N 3.23Å; H58-R61 PolarHBondContact O-N 3.46Å; H58-E62 IonicContact CE1-OE1 2.92Å; H58-E62 PolarHBondContact CE1-OE1 3.28Å; H58-E62 IonicContact NE2-OE1 3.79Å; H58-E62 WeakPolarHBondContact O-CG 3.38Å; H58-E62 PolarHBondContact O-N 3.23Å
59I95.1Very high94.3Very high2 Ų244.5 Ų44.51%0.0120%0.196CC..Hα-helixtrans-62.3-44.5176-60.5-168.1000111.1A36 R37 I40 R55 V56 R61 E62 D63 Y165A36-I59 VanDerWaalsContact C-CD1 3.41Å; A36-I59 HydrophobicContact CB-CD1 3.47Å; A36-I59 VanDerWaalsContact CB-CD1 3.47Å; A36-I59 HydrophobicContact CB-CG1 3.89Å; R37-I59 HydrophobicContact CB-CD1 4.44Å; R37-I59 HydrophobicContact CG-CD1 3.81Å; R37-I59 HydrophobicContact CG-CG2 4.16Å; I40-I59 HydrophobicContact CD1-CD1 3.25Å; I40-I59 HydrophobicContact CD1-CG1 4.03Å; I40-I59 HydrophobicContact CG1-CD1 4.1Å; R55-I59 PolarHBondContact O-N 3.43Å; V56-I59 WeakPolarHBondContact O-CA 3.15Å; V56-I59 PolarHBondContact O-N 3.25Å; I59-R61 VanDerWaalsContact C-N 3.26Å; I59-R61 PolarHBondContact O-N 2.85Å; I59-E62 PolarHBondContact O-N 3.07Å; I59-E62 VanDerWaalsContact O-N 3.09Å; I59-D63 PolarHBondContact O-N 2.76Å; I59-Y165 HydrophobicContact CG2-CE1 4.49Å
60I94.8Very high94.5Very high0 Ų046.6 Ų46.60%020%0.204CC..Hα-helixtrans-57.7-41.8178.1-66.5164.3000110.7V56 D63 Y64 P157 L161 V162 Y165V56-I60 HydrophobicContact CG1-CD1 4.42Å; V56-I60 WeakPolarHBondContact O-CG1 3.45Å; V56-I60 PolarHBondContact O-N 3.05Å; I60-D63 PolarHBondContact O-N 3.26Å; I60-Y64 HydrophobicContact CG2-CD2 4Å; I60-Y64 HydrophobicContact CG2-CE2 3.69Å; I60-Y64 WeakPolarHBondContact O-CD2 3.32Å; I60-Y64 PolarHBondContact O-N 3.3Å; I60-P157 HydrophobicContact CB-CG 4.19Å; I60-P157 HydrophobicContact CD1-CB 4.28Å; I60-P157 HydrophobicContact CG2-CB 3.96Å; I60-P157 HydrophobicContact CG2-CG 3.81Å; I60-L161 HydrophobicContact CD1-CG 4.28Å; I60-L161 HydrophobicContact CG2-CD2 3.87Å; I60-V162 HydrophobicContact CD1-CG2 3.87Å; I60-Y165 HydrophobicContact CD1-CD1 4.47Å; I60-Y165 HydrophobicContact CD1-CD2 4.01Å; I60-Y165 HydrophobicContact CD1-CE2 4.48Å; I60-Y165 HydrophobicContact CD1-CG 4.01Å; I60-Y165 HydrophobicContact CG1-CD1 3.81Å; I60-Y165 HydrophobicContact CG1-CD2 3.8Å; I60-Y165 HydrophobicContact CG1-CE1 3.85Å; I60-Y165 HydrophobicContact CG1-CE2 3.86Å; I60-Y165 HydrophobicContact CG1-CG 3.77Å
61R93.4Very high94.7Very high118 Ų11842.4 Ų42.445%0.44519%0.185SC..Hα-helixtrans-66.5-39176.3-76.3-177.3-75.5175.2-8.1113E57 H58 I59 L65 P157E57-R61 WeakPolarHBondContact O-CG 3.31Å; E57-R61 PolarHBondContact O-N 3.13Å; E57-R61 PolarHBondContact O-NE 3.01Å; H58-R61 PolarHBondContact O-N 3.46Å; I59-R61 VanDerWaalsContact C-N 3.26Å; I59-R61 PolarHBondContact O-N 2.85Å; R61-L65 WeakPolarHBondContact O-CB 3.38Å; R61-L65 PolarHBondContact O-N 2.71Å; R61-P157 HydrophobicContact CG-CG 4.42Å
62E93.1Very high94.8Very high43 Ų4336 Ų3620%0.20116%0.161CC..Hα-helixtrans-68.2-36.8175.5-66.6-69.5159.100111.6K29 H58 I59 L65 V66K29-E62 WeakPolarHBondContact CD-OE2 3.29Å; K29-E62 WeakPolarHBondContact CE-OE2 3.35Å; K29-E62 IonicContact NZ-OE1 3.76Å; K29-E62 IonicContact NZ-OE2 3.64Å; K29-E62 PolarHBondContact NZ-OE2 3.5Å; H58-E62 IonicContact CE1-OE1 2.92Å; H58-E62 PolarHBondContact CE1-OE1 3.28Å; H58-E62 IonicContact NE2-OE1 3.79Å; H58-E62 WeakPolarHBondContact O-CG 3.38Å; H58-E62 PolarHBondContact O-N 3.23Å; I59-E62 PolarHBondContact O-N 3.07Å; I59-E62 VanDerWaalsContact O-N 3.09Å; E62-L65 WeakPolarHBondContact O-CB 3.32Å; E62-L65 PolarHBondContact O-N 3.46Å; E62-V66 WeakPolarHBondContact O-CG2 3.47Å; E62-V66 PolarHBondContact O-N 3.19Å
63D94.7Very high94.9Very high17 Ų1737.7 Ų37.79%0.09117%0.169CC..Hα-helixtrans-64.6-46.7174.7-72.3-8.9000111R37 I59 I60 L65 V66 E67 Y165R37-D63 IonicContact CZ-OD2 2.76Å; R37-D63 VanDerWaalsContact NH2-CG 3.29Å; R37-D63 IonicContact NH2-OD1 3.19Å; R37-D63 PolarHBondContact NH2-OD1 3.14Å; R37-D63 IonicContact NH2-OD2 2.75Å; R37-D63 PolarHBondContact NH2-OD2 3.31Å; I59-D63 PolarHBondContact O-N 2.76Å; I60-D63 PolarHBondContact O-N 3.26Å; D63-L65 PolarHBondContact O-N 3.35Å; D63-V66 PolarHBondContact O-N 3.49Å; D63-V66 VanDerWaalsContact O-N 3.12Å; D63-E67 PolarHBondContact O-N 3.2Å; D63-Y165 VanDerWaalsContact OD2-CE1 3.3Å; D63-Y165 WeakPolarHBondContact OD2-CE1 3.47Å; D63-Y165 PolarHBondContact OD2-OH 2.95Å
64Y95.1Very high95.1Very high38 Ų3840.7 Ų40.715%0.14919%0.189CC..Hα-helixtrans-59.8-35.4173.3-77.6-36.7000113I60 A68 K151 L161 I196I60-Y64 HydrophobicContact CG2-CD2 4Å; I60-Y64 HydrophobicContact CG2-CE2 3.69Å; I60-Y64 WeakPolarHBondContact O-CD2 3.32Å; I60-Y64 PolarHBondContact O-N 3.3Å; Y64-A68 VanDerWaalsContact O-CB 3.3Å; Y64-A68 WeakPolarHBondContact O-CB 3.31Å; Y64-A68 PolarHBondContact O-N 3.45Å; Y64-K151 HydrophobicContact CD1-CG 4Å; Y64-L161 HydrophobicContact CE2-CD2 4.45Å; Y64-L161 VanDerWaalsContact OH-CD2 3.3Å; Y64-L161 WeakPolarHBondContact OH-CD2 3.42Å; Y64-I196 HydrophobicContact CD1-CD1 4.15Å; Y64-I196 HydrophobicContact CE1-CD1 3.92Å
65L93.8Very high95.3Very high28 Ų2837.3 Ų37.315%0.14717%0.17CC..Hα-helixtrans-65.2-41.9176.2-17866.4000111.1K29 R61 E62 D63 A68 M69 L110 L152K29-L65 HydrophobicContact CD-CD2 4.47Å; R61-L65 WeakPolarHBondContact O-CB 3.38Å; R61-L65 PolarHBondContact O-N 2.71Å; E62-L65 WeakPolarHBondContact O-CB 3.32Å; E62-L65 PolarHBondContact O-N 3.46Å; D63-L65 PolarHBondContact O-N 3.35Å; L65-A68 PolarHBondContact O-N 3.34Å; L65-M69 HydrophobicContact CD1-CE 4.07Å; L65-M69 HydrophobicContact CD2-CE 3.79Å; L65-M69 HydrophobicContact CG-CE 3.58Å; L65-M69 WeakPolarHBondContact O-CG 3.5Å; L65-M69 PolarHBondContact O-N 2.91Å; L65-L110 HydrophobicContact CD1-CD2 3.46Å; L65-L110 VanDerWaalsContact CD1-CD2 3.46Å; L65-L152 HydrophobicContact CD1-CD2 3.86Å
66V95.5Very high95.4Very high11 Ų1134.1 Ų34.17%0.06716%0.158CC..Hα-helixtrans-61.1-50.8175.2172.60000110.6E26 K29 E62 D63 A68 M69 E70E26-V66 HydrophobicContact CB-CG1 4.4Å; E26-V66 HydrophobicContact CG-CG1 4.38Å; K29-V66 HydrophobicContact CB-CG2 3.48Å; K29-V66 VanDerWaalsContact CB-CG2 3.48Å; K29-V66 HydrophobicContact CG-CG2 4.48Å; E62-V66 WeakPolarHBondContact O-CG2 3.47Å; E62-V66 PolarHBondContact O-N 3.19Å; D63-V66 PolarHBondContact O-N 3.49Å; D63-V66 VanDerWaalsContact O-N 3.12Å; V66-A68 VanDerWaalsContact C-N 3.26Å; V66-A68 PolarHBondContact O-N 3.18Å; V66-M69 WeakPolarHBondContact O-CA 3.41Å; V66-M69 WeakPolarHBondContact O-CB 3.48Å; V66-M69 PolarHBondContact O-N 3.36Å; V66-E70 PolarHBondContact O-N 3.25Å
67E94.8Very high95.4Very high24 Ų2438.4 Ų38.411%0.11218%0.181CC..Hα-helixtrans-60.8-35.5177.3-72-175.9-81.200112.7D63 M69 E70 I71 K151 I196D63-E67 PolarHBondContact O-N 3.2Å; E67-M69 VanDerWaalsContact C-N 3.34Å; E67-E70 PolarHBondContact O-N 3.22Å; E67-I71 WeakPolarHBondContact O-CG1 3.48Å; E67-I71 PolarHBondContact O-N 3.02Å; E67-K151 HydrophobicContact CB-CD 3.79Å; E67-K151 IonicContact OE1-NZ 3.7Å; E67-K151 PolarHBondContact OE1-NZ 2.97Å; E67-K151 VanDerWaalsContact OE2-CE 3.26Å; E67-K151 WeakPolarHBondContact OE2-CE 3.41Å; E67-K151 IonicContact OE2-NZ 2.71Å; E67-K151 PolarHBondContact OE2-NZ 3.39Å; E67-I196 VanDerWaalsContact CD-CG2 3.49Å; E67-I196 HydrophobicContact CG-CG2 4.19Å; E67-I196 WeakPolarHBondContact OE1-CD1 3.4Å; E67-I196 VanDerWaalsContact OE1-CG1 3.25Å; E67-I196 WeakPolarHBondContact OE1-CG1 3.4Å
68A96.1Very high95.5Very high0 Ų038 Ų380%018%0.18CC..Hα-helixtrans-66.7-35.2174.200000112.3Y64 L65 V66 L72 K151 L152Y64-A68 VanDerWaalsContact O-CB 3.3Å; Y64-A68 WeakPolarHBondContact O-CB 3.31Å; Y64-A68 PolarHBondContact O-N 3.45Å; L65-A68 PolarHBondContact O-N 3.34Å; V66-A68 VanDerWaalsContact C-N 3.26Å; V66-A68 PolarHBondContact O-N 3.18Å; A68-L72 VanDerWaalsContact O-CG 3.31Å; A68-L72 WeakPolarHBondContact O-CG 3.49Å; A68-L72 PolarHBondContact O-N 3.29Å; A68-L72 VanDerWaalsContact O-N 3.13Å; A68-K151 HydrophobicContact CB-CB 4.17Å; A68-L152 HydrophobicContact CB-CD1 4.37Å; A68-L152 HydrophobicContact CB-CD2 3.6Å; A68-L152 HydrophobicContact CB-CG 3.77Å
69M95.1Very high95.7Very high0 Ų034.7 Ų34.70%017%0.165CC..Hα-helixtrans-64.6-42.2173.9-70.6-166.8-146.800111.4L22 L25 E26 L65 V66 E67 I71 L72 E73L22-M69 HydrophobicContact CD2-CB 3.85Å; L22-M69 HydrophobicContact CD2-CG 3.79Å; L22-M69 HydrophobicContact CD2-SD 4.05Å; L25-M69 HydrophobicContact CB-CE 4.28Å; L25-M69 HydrophobicContact CB-SD 3.62Å; L25-M69 HydrophobicContact CD1-SD 4.13Å; E26-M69 HydrophobicContact CG-CB 3.75Å; E26-M69 VanDerWaalsContact OE1-C 3.25Å; L65-M69 HydrophobicContact CD1-CE 4.07Å; L65-M69 HydrophobicContact CD2-CE 3.79Å; L65-M69 HydrophobicContact CG-CE 3.58Å; L65-M69 WeakPolarHBondContact O-CG 3.5Å; L65-M69 PolarHBondContact O-N 2.91Å; V66-M69 WeakPolarHBondContact O-CA 3.41Å; V66-M69 WeakPolarHBondContact O-CB 3.48Å; V66-M69 PolarHBondContact O-N 3.36Å; E67-M69 VanDerWaalsContact C-N 3.34Å; M69-I71 PolarHBondContact O-N 2.75Å; M69-L72 CarbonylContact O-C 3.53Å; M69-L72 WeakPolarHBondContact O-CB 3.49Å; M69-L72 PolarHBondContact O-N 2.93Å; M69-L72 VanDerWaalsContact O-N 3.09Å; M69-E73 PolarHBondContact O-N 2.65Å
70E95.7Very high95.7Very high101 Ų10136.1 Ų36.147%0.47217%0.173SC..Hα-helixtrans-61.4-42.4177.9-66.4173.2158.300111.9E26 V66 E67 L72 E73 L74E26-E70 HydrophobicContact CG-CG 4.3Å; E26-E70 PolarHBondContact OE1-N 3.03Å; V66-E70 PolarHBondContact O-N 3.25Å; E67-E70 PolarHBondContact O-N 3.22Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 3.16Å; E70-E73 WeakPolarHBondContact O-CB 3.49Å; E70-E73 PolarHBondContact O-N 2.89Å; E70-L74 PolarHBondContact O-N 3.13Å
71I96.6Very high95.8Very high29 Ų2940 Ų4015%0.14921%0.205CC..Hα-helixtrans-62.5-41174.8-65.7168.2000110.7E67 M69 L74 Y75 R147 L148 K151E67-I71 WeakPolarHBondContact O-CG1 3.48Å; E67-I71 PolarHBondContact O-N 3.02Å; M69-I71 PolarHBondContact O-N 2.75Å; I71-L74 PolarHBondContact O-N 3.18Å; I71-Y75 HydrophobicContact CG2-CD2 3.93Å; I71-Y75 HydrophobicContact CG2-CE2 3.44Å; I71-Y75 VanDerWaalsContact CG2-CE2 3.44Å; I71-Y75 VanDerWaalsContact O-CD2 3.31Å; I71-Y75 WeakPolarHBondContact O-CD2 3.29Å; I71-Y75 PolarHBondContact O-N 3.22Å; I71-Y75 VanDerWaalsContact O-N 3.14Å; I71-R147 HydrophobicContact CD1-CG 4.22Å; I71-L148 HydrophobicContact CB-CD1 4.08Å; I71-L148 HydrophobicContact CD1-CB 4.42Å; I71-L148 HydrophobicContact CG2-CB 4.24Å; I71-L148 HydrophobicContact CG2-CD1 3.68Å; I71-K151 HydrophobicContact CD1-CD 4.16Å
72L96.6Very high95.9Very high1 Ų139.9 Ų39.91%0.00520%0.204CC..Hα-helixtrans-68.5-36.8177.4-69.3171.3000112.4L22 A68 M69 E70 L74 Y75 C76 T102 L103 A106 L110 L117 L148L22-L72 HydrophobicContact CD1-CB 4.03Å; A68-L72 VanDerWaalsContact O-CG 3.31Å; A68-L72 WeakPolarHBondContact O-CG 3.49Å; A68-L72 PolarHBondContact O-N 3.29Å; A68-L72 VanDerWaalsContact O-N 3.13Å; M69-L72 CarbonylContact O-C 3.53Å; M69-L72 WeakPolarHBondContact O-CB 3.49Å; M69-L72 PolarHBondContact O-N 2.93Å; M69-L72 VanDerWaalsContact O-N 3.09Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 3.16Å; L72-L74 VanDerWaalsContact C-N 3.33Å; L72-Y75 PolarHBondContact O-N 3.09Å; L72-C76 PolarHBondContact O-N 3.42Å; L72-C76 PolarHBondContact O-SG 3.13Å; L72-T102 HydrophobicContact CD2-CG2 4.3Å; L72-L103 HydrophobicContact CD2-CD2 3.91Å; L72-A106 HydrophobicContact CD1-CB 3.92Å; L72-A106 HydrophobicContact CD2-CB 3.67Å; L72-A106 HydrophobicContact CG-CB 4.45Å; L72-L110 HydrophobicContact CD1-CD1 3.17Å; L72-L117 HydrophobicContact CD1-CD2 4.5Å; L72-L148 HydrophobicContact CD1-CD1 4.4Å; L72-L148 HydrophobicContact CD2-CD1 3.55Å; L72-L148 HydrophobicContact CG-CD1 3.63Å
73E96.5Very high96Very high36 Ų3638 Ų3817%0.16820%0.196CC..Hα-helixtrans-57.7-50.5173.8-173.9-170.3140.200109.8I19 L22 K23 M69 E70 Y75 C76 D77I19-E73 HydrophobicContact CG1-CG 4.34Å; I19-E73 HydrophobicContact CG2-CG 4.05Å; L22-E73 HydrophobicContact CD1-CB 4.09Å; K23-E73 WeakPolarHBondContact CE-OE1 3.19Å; K23-E73 WeakPolarHBondContact CE-OE2 3.31Å; K23-E73 WeakPolarHBondContact CG-OE2 3.31Å; K23-E73 IonicContact NZ-OE1 3.12Å; K23-E73 PolarHBondContact NZ-OE1 2.96Å; K23-E73 VanDerWaalsContact NZ-OE1 3.12Å; M69-E73 PolarHBondContact O-N 2.65Å; E70-E73 WeakPolarHBondContact O-CB 3.49Å; E70-E73 PolarHBondContact O-N 2.89Å; E73-Y75 VanDerWaalsContact C-N 3.29Å; E73-Y75 PolarHBondContact O-N 3.46Å; E73-C76 WeakPolarHBondContact O-CB 3.46Å; E73-C76 PolarHBondContact O-N 3.42Å; E73-D77 PolarHBondContact O-N 2.86Å
74L97.3Very high96Very high117 Ų11739.5 Ų39.561%0.61321%0.214SC*.Hα-helixtrans-55.2-44.4178177.465000111.7E70 I71 L72 D77 L78E70-L74 PolarHBondContact O-N 3.13Å; I71-L74 PolarHBondContact O-N 3.18Å; L72-L74 VanDerWaalsContact C-N 3.33Å; L74-D77 PolarHBondContact O-N 3.26Å; L74-L78 WeakPolarHBondContact O-CB 3.41Å; L74-L78 PolarHBondContact O-N 3.14Å
75Y97.6Very high95.8Very high20 Ų2040.5 Ų40.58%0.07822%0.222CC..Hα-helixtrans-67.9-37.2176.6-70.7-42.4000113.3I71 L72 E73 D77 L78 L79 E98 A99 T102 N145I71-Y75 HydrophobicContact CG2-CD2 3.93Å; I71-Y75 HydrophobicContact CG2-CE2 3.44Å; I71-Y75 VanDerWaalsContact CG2-CE2 3.44Å; I71-Y75 VanDerWaalsContact O-CD2 3.31Å; I71-Y75 WeakPolarHBondContact O-CD2 3.29Å; I71-Y75 PolarHBondContact O-N 3.22Å; I71-Y75 VanDerWaalsContact O-N 3.14Å; L72-Y75 PolarHBondContact O-N 3.09Å; E73-Y75 VanDerWaalsContact C-N 3.29Å; E73-Y75 PolarHBondContact O-N 3.46Å; Y75-D77 VanDerWaalsContact C-N 3.31Å; Y75-L78 HydrophobicContact CD1-CD2 4.44Å; Y75-L78 PolarHBondContact O-N 3.3Å; Y75-L79 WeakPolarHBondContact O-CG 3.5Å; Y75-L79 PolarHBondContact O-N 3.43Å; Y75-E98 PolarHBondContact OH-OE1 2.98Å; Y75-A99 HydrophobicContact CD1-CB 3.53Å; Y75-A99 HydrophobicContact CE1-CB 4.28Å; Y75-A99 HydrophobicContact CG-CB 3.91Å; Y75-T102 HydrophobicContact CD2-CG2 3.97Å; Y75-T102 HydrophobicContact CE2-CG2 3.74Å; Y75-N145 HydrophobicContact CE2-CB 4.15Å; Y75-N145 VanDerWaalsContact OH-CB 3.31Å; Y75-N145 WeakPolarHBondContact OH-CB 3.36Å; Y75-N145 VanDerWaalsContact OH-CG 3.31Å; Y75-N145 PolarHBondContact OH-ND2 3.17Å
76C97.3Very high95.7Very high0 Ų039.2 Ų39.20%022%0.215CC..Hα-helixtrans-63.1-41.4174.8-68.30000111.3L15 I19 L72 E73 L79 L80 L103L15-C76 HydrophobicContact CD2-CB 4.11Å; I19-C76 HydrophobicContact CD1-CB 3.93Å; I19-C76 HydrophobicContact CG1-CB 3.55Å; L72-C76 PolarHBondContact O-N 3.42Å; L72-C76 PolarHBondContact O-SG 3.13Å; E73-C76 WeakPolarHBondContact O-CB 3.46Å; E73-C76 PolarHBondContact O-N 3.42Å; C76-L79 PolarHBondContact O-N 3.45Å; C76-L80 PolarHBondContact O-N 3.36Å; C76-L103 WeakPolarHBondContact SG-CD2 3.3Å
77D97.2Very high95.5Very high90 Ų9043.8 Ų43.848%0.48124%0.236SC..Hα-helixtrans-67.9-41177.5-162.744.7000111.5I19 E73 L74 Y75 L79 L80 A81I19-D77 HydrophobicContact CD1-CB 4.21Å; E73-D77 PolarHBondContact O-N 2.86Å; L74-D77 PolarHBondContact O-N 3.26Å; Y75-D77 VanDerWaalsContact C-N 3.31Å; D77-L79 VanDerWaalsContact C-N 3.34Å; D77-L79 PolarHBondContact O-N 3.46Å; D77-L80 PolarHBondContact O-N 2.93Å; D77-L80 VanDerWaalsContact O-N 3.11Å; D77-A81 WeakPolarHBondContact O-CB 3.25Å; D77-A81 PolarHBondContact O-N 3.13Å
78L96.4Very high95.3Very high53 Ų5346.9 Ų46.928%0.27726%0.26SS..Hα-helixtrans-57-45.2172.6176.361.8000112.1L74 Y75 L80 A81 R82 L96 A99L74-L78 WeakPolarHBondContact O-CB 3.41Å; L74-L78 PolarHBondContact O-N 3.14Å; Y75-L78 HydrophobicContact CD1-CD2 4.44Å; Y75-L78 PolarHBondContact O-N 3.3Å; L78-L80 VanDerWaalsContact C-N 3.32Å; L78-L80 PolarHBondContact O-N 3.47Å; L78-A81 PolarHBondContact O-N 3.43Å; L78-R82 HydrophobicContact CD1-CG 4.48Å; L78-R82 PolarHBondContact O-N 3.3Å; L78-L96 HydrophobicContact CG-CD2 4.24Å; L78-A99 HydrophobicContact CD2-CB 4.07Å
79L96Very high95Very high0 Ų051.1 Ų51.10%028%0.281CS..Hα-helixtrans-65.3-35.3176.9-67.5-160.5000112.2L15 Y75 C76 D77 R82 F83 I86 L96 A99 V100 L103 L124L15-L79 HydrophobicContact CD1-CB 4.03Å; L15-L79 HydrophobicContact CD2-CB 4.46Å; L15-L79 HydrophobicContact CD2-CD1 4.41Å; Y75-L79 WeakPolarHBondContact O-CG 3.5Å; Y75-L79 PolarHBondContact O-N 3.43Å; C76-L79 PolarHBondContact O-N 3.45Å; D77-L79 VanDerWaalsContact C-N 3.34Å; D77-L79 PolarHBondContact O-N 3.46Å; L79-R82 CarbonylContact O-C 2.95Å; L79-F83 VanDerWaalsContact O-CA 3.28Å; L79-F83 WeakPolarHBondContact O-CA 3.47Å; L79-F83 WeakPolarHBondContact O-CB 3.42Å; L79-F83 PolarHBondContact O-N 3.1Å; L79-I86 HydrophobicContact CB-CD1 4.01Å; L79-I86 HydrophobicContact CD2-CD1 4.02Å; L79-I86 HydrophobicContact CG-CD1 4.39Å; L79-L96 HydrophobicContact CD2-CB 4.41Å; L79-L96 HydrophobicContact CD2-CD2 3.98Å; L79-A99 HydrophobicContact CD2-CB 3.85Å; L79-A99 HydrophobicContact CG-CB 4.37Å; L79-V100 HydrophobicContact CD1-CG2 4.15Å; L79-V100 HydrophobicContact CD2-CG2 3.89Å; L79-L103 HydrophobicContact CD1-CD1 3.43Å; L79-L103 VanDerWaalsContact CD1-CD1 3.43Å; L79-L103 HydrophobicContact CG-CD1 4.06Å; L79-L124 HydrophobicContact CD1-CD1 4.12Å; L79-L124 HydrophobicContact CD1-CD2 4.27Å
80L96.4Very high94.6Very high33 Ų3360.2 Ų60.217%0.17332%0.321CS..Hα-helixtrans-69.7-43.7175-78.8178.4000112.2R12 L15 R16 I19 C76 D77 L78 R82 F83R12-L80 HydrophobicContact CG-CD2 4Å; L15-L80 HydrophobicContact CB-CD1 4.11Å; L15-L80 HydrophobicContact CB-CD2 3.77Å; L15-L80 HydrophobicContact CB-CG 3.81Å; L15-L80 HydrophobicContact CD1-CD2 3.94Å; L15-L80 HydrophobicContact CD1-CG 4.13Å; R16-L80 HydrophobicContact CG-CD1 3.7Å; R16-L80 HydrophobicContact CG-CD2 4.31Å; I19-L80 HydrophobicContact CD1-CD1 3.47Å; I19-L80 VanDerWaalsContact CD1-CD1 3.47Å; C76-L80 PolarHBondContact O-N 3.36Å; D77-L80 PolarHBondContact O-N 2.93Å; D77-L80 VanDerWaalsContact O-N 3.11Å; L78-L80 VanDerWaalsContact C-N 3.32Å; L78-L80 PolarHBondContact O-N 3.47Å; L80-R82 VanDerWaalsContact C-N 3.26Å; L80-R82 PolarHBondContact O-N 3.05Å; L80-F83 VanDerWaalsContact O-CB 3.28Å; L80-F83 WeakPolarHBondContact O-CB 3.49Å; L80-F83 PolarHBondContact O-N 3.45Å
81A97Very high94.2Very high81 Ų8163.3 Ų63.367%0.66934%0.335SS*.Hα-helixtrans-60.5-38177.800000111.6D77 L78D77-A81 WeakPolarHBondContact O-CB 3.25Å; D77-A81 PolarHBondContact O-N 3.13Å; L78-A81 PolarHBondContact O-N 3.43Å
82R95.3Very high93.9Very high116 Ų11664 Ų6444%0.43834%0.339SS..THydrogen-bonded Turntrans-103.223.2179.2-64.8-171.6178.6-170.25.6113.7L78 L79 L80 G84 L85 L96L78-R82 HydrophobicContact CD1-CG 4.48Å; L78-R82 PolarHBondContact O-N 3.3Å; L79-R82 CarbonylContact O-C 2.95Å; L80-R82 VanDerWaalsContact C-N 3.26Å; L80-R82 PolarHBondContact O-N 3.05Å; R82-G84 PolarHBondContact O-N 2.86Å; R82-G84 VanDerWaalsContact O-N 3.12Å; R82-L85 HydrophobicContact CB-CD1 4.36Å; R82-L85 WeakPolarHBondContact O-CB 3.19Å; R82-L85 PolarHBondContact O-N 2.93Å; R82-L96 HydrophobicContact CB-CD1 4.32Å; R82-L96 HydrophobicContact CB-CD2 3.95Å; R82-L96 HydrophobicContact CG-CD2 4.44Å
83F95.2Very high93.7Very high4 Ų466.3 Ų66.32%0.01835%0.351CS..Hα-helixtrans-60.4-30-174.3-164.4-94.3000113.8A8 L11 R12 L15 L79 L80 L85 I86 Q87A8-F83 HydrophobicContact CB-CE1 4.2Å; A8-F83 HydrophobicContact CB-CZ 4.13Å; A8-F83 WeakPolarHBondContact O-CZ 3.38Å; L11-F83 HydrophobicContact CB-CE2 4.26Å; L11-F83 HydrophobicContact CB-CZ 4.43Å; L11-F83 HydrophobicContact CD2-CE2 3.77Å; L11-F83 HydrophobicContact CD2-CZ 4.39Å; L11-F83 HydrophobicContact CG-CE2 3.89Å; R12-F83 HydrophobicContact CB-CD2 4.49Å; R12-F83 HydrophobicContact CB-CE1 4.16Å; R12-F83 HydrophobicContact CB-CE2 3.98Å; R12-F83 HydrophobicContact CB-CZ 3.82Å; L15-F83 HydrophobicContact CD1-CD2 4.36Å; L15-F83 HydrophobicContact CD1-CE2 4.38Å; L79-F83 VanDerWaalsContact O-CA 3.28Å; L79-F83 WeakPolarHBondContact O-CA 3.47Å; L79-F83 WeakPolarHBondContact O-CB 3.42Å; L79-F83 PolarHBondContact O-N 3.1Å; L80-F83 VanDerWaalsContact O-CB 3.28Å; L80-F83 WeakPolarHBondContact O-CB 3.49Å; L80-F83 PolarHBondContact O-N 3.45Å; F83-L85 VanDerWaalsContact C-N 3.27Å; F83-L85 PolarHBondContact O-N 2.96Å; F83-I86 HydrophobicContact CD2-CD1 4.41Å; F83-I86 PolarHBondContact O-N 3.43Å; F83-Q87 PolarHBondContact O-N 3.08Å
84G93.9Very high93.4Very high47 Ų4769.8 Ų69.849%0.48538%0.38SS..Hα-helixtrans-58.9-35.5175.900000113.4R82 S88R82-G84 PolarHBondContact O-N 2.86Å; R82-G84 VanDerWaalsContact O-N 3.12Å; G84-S88 WeakPolarHBondContact O-CB 3.27Å; G84-S88 PolarHBondContact O-N 3.38Å; G84-S88 PolarHBondContact O-OG 2.8Å
85L92Very high93.1Very high60 Ų6066 Ų6631%0.31437%0.369SS..Hα-helixtrans-69.7-44175.9-65.2176.1000111R82 F83 Q87 S88 M89 L96R82-L85 HydrophobicContact CB-CD1 4.36Å; R82-L85 WeakPolarHBondContact O-CB 3.19Å; R82-L85 PolarHBondContact O-N 2.93Å; F83-L85 VanDerWaalsContact C-N 3.27Å; F83-L85 PolarHBondContact O-N 2.96Å; L85-Q87 PolarHBondContact O-N 3.21Å; L85-S88 PolarHBondContact O-N 3.46Å; L85-M89 HydrophobicContact CD2-CE 3.58Å; L85-M89 HydrophobicContact CD2-SD 4.07Å; L85-M89 WeakPolarHBondContact O-CB 3.37Å; L85-M89 PolarHBondContact O-N 2.96Å; L85-L96 HydrophobicContact CB-CD1 4.4Å
86I91.7Very high92.9Very high0 Ų065 Ų650%037%0.365CS..Hα-helixtrans-60.6-36.1178-56.4174.2000111F6 L11 L79 F83 L96 K127F6-I86 HydrophobicContact CZ-CG2 4.43Å; L11-I86 HydrophobicContact CD2-CG2 4.21Å; L79-I86 HydrophobicContact CB-CD1 4.01Å; L79-I86 HydrophobicContact CD2-CD1 4.02Å; L79-I86 HydrophobicContact CG-CD1 4.39Å; F83-I86 HydrophobicContact CD2-CD1 4.41Å; F83-I86 PolarHBondContact O-N 3.43Å; I86-L96 HydrophobicContact CD1-CD1 4.26Å; I86-L96 HydrophobicContact CG1-CD1 3.7Å; I86-K127 WeakPolarHBondContact O-CE 3.49Å; I86-K127 PolarHBondContact O-NZ 2.97Å
87Q90.4Very high92.8Very high108 Ų10865.9 Ų65.951%0.50537%0.372SS..Hα-helixtrans-76.5-45.8179.5-171.6172.2000112.6A8 F83 L85A8-Q87 HydrophobicContact CB-CG 4.34Å; F83-Q87 PolarHBondContact O-N 3.08Å; L85-Q87 PolarHBondContact O-N 3.21Å
88S89.9Confident92.7Very high89 Ų8965.7 Ų65.762%0.62237%0.368SS*.Hα-helixtrans-80.8-37.6-172.657.20000113.8G84 L85G84-S88 WeakPolarHBondContact O-CB 3.27Å; G84-S88 PolarHBondContact O-N 3.38Å; G84-S88 PolarHBondContact O-OG 2.8Å; L85-S88 PolarHBondContact O-N 3.46Å
89M90.3Very high92.7Very high88 Ų8863.2 Ų63.243%0.43336%0.355SS..  trans-89.2144.9-176.8-60.2-174.3174.900111.5L85 K127L85-M89 HydrophobicContact CD2-CE 3.58Å; L85-M89 HydrophobicContact CD2-SD 4.07Å; L85-M89 WeakPolarHBondContact O-CB 3.37Å; L85-M89 PolarHBondContact O-N 2.96Å; M89-K127 WeakPolarHBondContact O-CE 3.29Å; M89-K127 PolarHBondContact O-NZ 3.17Å
90K86.7Confident92.7Very high191 Ų19163.2 Ų63.283%0.8336%0.355SS*.SBendtrans-87.8-32.3173.8-69.5-177.5-178.81770111.9
91E88.6Confident92.7Very high166 Ų16661.6 Ų61.678%0.77635%0.347SS*.SBendtrans-88.9155.8178.6-63.4-176.7175.300110.8
92L89Confident92.7Very high43 Ų4357.8 Ų57.823%0.22532%0.315CS..PPolyproline II helixtrans-80.8120.9178.2-179.862.3000109.4L96 A97 V100 Y128 Y132L92-L96 HydrophobicContact CD1-CB 4.28Å; L92-A97 HydrophobicContact CD2-CB 3.87Å; L92-A97 HydrophobicContact CG-CB 4.1Å; L92-V100 HydrophobicContact CD1-CB 4.08Å; L92-V100 HydrophobicContact CD1-CG1 4.31Å; L92-V100 HydrophobicContact CD1-CG2 3.81Å; L92-Y128 HydrophobicContact CB-CD1 3.81Å; L92-Y128 HydrophobicContact CB-CE1 3.71Å; L92-Y128 HydrophobicContact CD1-CD1 4.34Å; L92-Y128 HydrophobicContact CD1-CD2 4.3Å; L92-Y128 HydrophobicContact CD1-CE1 3.83Å; L92-Y128 HydrophobicContact CD1-CE2 3.79Å; L92-Y128 HydrophobicContact CG-CE1 4.36Å; L92-Y132 HydrophobicContact CD2-CE1 4.08Å; L92-Y132 HydrophobicContact CD2-CE2 3.86Å; L92-Y132 VanDerWaalsContact CD2-CZ 3.4Å; L92-Y132 WeakPolarHBondContact CD2-OH 3.38Å
93D92.1Very high92.8Very high50 Ų5052.2 Ų52.227%0.26729%0.294SS..PPolyproline II helixtrans-65.1137.1173.7-178.6-106.9000110.7G95 L96 A97D93-G95 PolarHBondContact O-N 3.4Å; D93-G95 WeakPolarHBondContact OD1-CA 3.03Å; D93-G95 PolarHBondContact OD1-N 2.82Å; D93-L96 HydrophobicContact CB-CB 4.35Å; D93-L96 HydrophobicContact CB-CD1 4.24Å; D93-L96 HydrophobicContact CB-CG 4.17Å; D93-L96 CarbonylContact O-C 3.59Å; D93-L96 PolarHBondContact O-N 3.46Å; D93-A97 PolarHBondContact O-N 3.34Å
94S90.4Very high92.8Very high110 Ų11052 Ų5277%0.76929%0.293SS*.Hα-helixtrans-57.8-35.2-179.260.50000113.1L96 A97S94-L96 PolarHBondContact O-N 3.35Å; S94-A97 PolarHBondContact O-N 3.12Å
95G91.4Very high92.9Very high37 Ų3750.3 Ų50.338%0.38127%0.272SS..Hα-helixtrans-76.3-9.7177.500000114.2D93D93-G95 PolarHBondContact O-N 3.4Å; D93-G95 WeakPolarHBondContact OD1-CA 3.03Å; D93-G95 PolarHBondContact OD1-N 2.82Å
96L94.1Very high93.1Very high0 Ų047.4 Ų47.40%026%0.257CS..Hα-helixtrans-106.8-12.6174.2-61-177.1000112.5L78 L79 R82 L85 I86 L92 D93 S94 E98 A99 V100L78-L96 HydrophobicContact CG-CD2 4.24Å; L79-L96 HydrophobicContact CD2-CB 4.41Å; L79-L96 HydrophobicContact CD2-CD2 3.98Å; R82-L96 HydrophobicContact CB-CD1 4.32Å; R82-L96 HydrophobicContact CB-CD2 3.95Å; R82-L96 HydrophobicContact CG-CD2 4.44Å; L85-L96 HydrophobicContact CB-CD1 4.4Å; I86-L96 HydrophobicContact CD1-CD1 4.26Å; I86-L96 HydrophobicContact CG1-CD1 3.7Å; L92-L96 HydrophobicContact CD1-CB 4.28Å; D93-L96 HydrophobicContact CB-CB 4.35Å; D93-L96 HydrophobicContact CB-CD1 4.24Å; D93-L96 HydrophobicContact CB-CG 4.17Å; D93-L96 CarbonylContact O-C 3.59Å; D93-L96 PolarHBondContact O-N 3.46Å; S94-L96 PolarHBondContact O-N 3.35Å; L96-E98 VanDerWaalsContact C-N 3.34Å; L96-E98 PolarHBondContact O-N 2.99Å; L96-A99 PolarHBondContact O-N 3.32Å; L96-V100 WeakPolarHBondContact O-CB 3.25Å; L96-V100 VanDerWaalsContact O-CG2 3.32Å; L96-V100 WeakPolarHBondContact O-CG2 3.26Å; L96-V100 PolarHBondContact O-N 3.2Å
97A94.1Very high93.3Very high18 Ų1847.6 Ų47.615%0.14926%0.259CS..Hα-helixtrans-59-45.6-173.300000112.1L92 D93 S94 V100 S101L92-A97 HydrophobicContact CD2-CB 3.87Å; L92-A97 HydrophobicContact CG-CB 4.1Å; D93-A97 PolarHBondContact O-N 3.34Å; S94-A97 PolarHBondContact O-N 3.12Å; A97-V100 PolarHBondContact O-N 3.35Å; A97-S101 VanDerWaalsContact O-CB 3.3Å; A97-S101 WeakPolarHBondContact O-CB 3.35Å; A97-S101 PolarHBondContact O-N 3.3Å; A97-S101 PolarHBondContact O-OG 2.97Å
98E95.8Very high93.5Very high85 Ų8545 Ų4540%0.39725%0.251SS..Hα-helixtrans-60.9-49.1178.3-173.3-173.6174.800112.1Y75 L96 V100 S101 T102 T143 N145Y75-E98 PolarHBondContact OH-OE1 2.98Å; L96-E98 VanDerWaalsContact C-N 3.34Å; L96-E98 PolarHBondContact O-N 2.99Å; E98-V100 PolarHBondContact O-N 3.41Å; E98-S101 PolarHBondContact O-N 3.36Å; E98-T102 WeakPolarHBondContact O-CB 3.48Å; E98-T102 PolarHBondContact O-N 2.91Å; E98-T102 PolarHBondContact O-OG1 3.2Å; E98-T143 VanDerWaalsContact CA-O 3.31Å; E98-T143 WeakPolarHBondContact CA-O 3.45Å; E98-N145 HydrophobicContact CG-CB 4.48Å; E98-N145 PolarHBondContact OE1-ND2 3.32Å
99A96.4Very high93.7Very high1 Ų146 Ų461%0.00824%0.241CC..Hα-helixtrans-62.2-44.9-18000000112Y75 L78 L79 L96 T102 L103Y75-A99 HydrophobicContact CD1-CB 3.53Å; Y75-A99 HydrophobicContact CE1-CB 4.28Å; Y75-A99 HydrophobicContact CG-CB 3.91Å; L78-A99 HydrophobicContact CD2-CB 4.07Å; L79-A99 HydrophobicContact CD2-CB 3.85Å; L79-A99 HydrophobicContact CG-CB 4.37Å; L96-A99 PolarHBondContact O-N 3.32Å; A99-T102 PolarHBondContact O-N 2.9Å; A99-L103 WeakPolarHBondContact O-CB 3.3Å; A99-L103 WeakPolarHBondContact O-CD1 3.35Å; A99-L103 VanDerWaalsContact O-CG 3.27Å; A99-L103 WeakPolarHBondContact O-CG 3.36Å; A99-L103 PolarHBondContact O-N 3.36Å
100V96.3Very high93.9Very high0 Ų042 Ų420%022%0.222CC..Hα-helixtrans-65.2-48.3179.1171.40000111L79 L92 L96 A97 E98 T102 I104 L124 Y128 Y132L79-V100 HydrophobicContact CD1-CG2 4.15Å; L79-V100 HydrophobicContact CD2-CG2 3.89Å; L92-V100 HydrophobicContact CD1-CB 4.08Å; L92-V100 HydrophobicContact CD1-CG1 4.31Å; L92-V100 HydrophobicContact CD1-CG2 3.81Å; L96-V100 WeakPolarHBondContact O-CB 3.25Å; L96-V100 VanDerWaalsContact O-CG2 3.32Å; L96-V100 WeakPolarHBondContact O-CG2 3.26Å; L96-V100 PolarHBondContact O-N 3.2Å; A97-V100 PolarHBondContact O-N 3.35Å; E98-V100 PolarHBondContact O-N 3.41Å; V100-T102 VanDerWaalsContact C-N 3.32Å; V100-T102 PolarHBondContact O-N 2.79Å; V100-I104 HydrophobicContact CG1-CD1 3.88Å; V100-I104 VanDerWaalsContact O-CG1 3.29Å; V100-I104 WeakPolarHBondContact O-CG1 3.37Å; V100-I104 PolarHBondContact O-N 2.95Å; V100-I104 VanDerWaalsContact O-N 3.13Å; V100-L124 HydrophobicContact CG1-CB 4.31Å; V100-L124 HydrophobicContact CG1-CD1 4.26Å; V100-L124 HydrophobicContact CG1-CD2 4.29Å; V100-L124 HydrophobicContact CG2-CD2 4.18Å; V100-Y128 HydrophobicContact CG1-CD2 3.93Å; V100-Y128 HydrophobicContact CG1-CE2 4.08Å; V100-Y128 HydrophobicContact CG2-CE2 4.21Å; V100-Y132 HydrophobicContact CG1-CE1 4.06Å
101S95.9Very high94.1Very high0 Ų038.5 Ų38.50%021%0.209CC..Hα-helixtrans-59.6-45.2177.8-67.60000111.5A97 E98 I104 W105 Y132 T143A97-S101 VanDerWaalsContact O-CB 3.3Å; A97-S101 WeakPolarHBondContact O-CB 3.35Å; A97-S101 PolarHBondContact O-N 3.3Å; A97-S101 PolarHBondContact O-OG 2.97Å; E98-S101 PolarHBondContact O-N 3.36Å; S101-I104 PolarHBondContact O-N 3.22Å; S101-W105 WeakPolarHBondContact O-CB 3.45Å; S101-W105 PolarHBondContact O-N 2.83Å; S101-Y132 PolarHBondContact OG-OH 3.47Å; S101-T143 WeakPolarHBondContact CB-OG1 3.48Å; S101-T143 PolarHBondContact OG-OG1 3.47Å
102T96.8Very high94.3Very high0 Ų035.6 Ų35.60%021%0.206CC..Hα-helixtrans-66-43.9-177.4-57.20000112.2L72 Y75 E98 A99 V100 I104 W105 A106 V144 N145 L148L72-T102 HydrophobicContact CD2-CG2 4.3Å; Y75-T102 HydrophobicContact CD2-CG2 3.97Å; Y75-T102 HydrophobicContact CE2-CG2 3.74Å; E98-T102 WeakPolarHBondContact O-CB 3.48Å; E98-T102 PolarHBondContact O-N 2.91Å; E98-T102 PolarHBondContact O-OG1 3.2Å; A99-T102 PolarHBondContact O-N 2.9Å; V100-T102 VanDerWaalsContact C-N 3.32Å; V100-T102 PolarHBondContact O-N 2.79Å; T102-I104 PolarHBondContact O-N 3.49Å; T102-W105 PolarHBondContact O-N 3.1Å; T102-A106 WeakPolarHBondContact O-CB 3.46Å; T102-A106 PolarHBondContact O-N 2.79Å; T102-V144 HydrophobicContact CG2-CG1 4.28Å; T102-N145 HydrophobicContact CG2-CB 4.18Å; T102-N145 PolarHBondContact OG1-N 3.18Å; T102-L148 HydrophobicContact CG2-CB 4.41Å; T102-L148 HydrophobicContact CG2-CD1 3.69Å; T102-L148 HydrophobicContact CG2-CD2 3.8Å; T102-L148 HydrophobicContact CG2-CG 4.19Å
103L96.7Very high94.5Very high0 Ų036.1 Ų36.10%021%0.208CC..Hα-helixtrans-63-40.5176.2-73.4166.7000112.4L72 C76 L79 A99 A107 L117 L124L72-L103 HydrophobicContact CD2-CD2 3.91Å; C76-L103 WeakPolarHBondContact SG-CD2 3.3Å; L79-L103 HydrophobicContact CD1-CD1 3.43Å; L79-L103 VanDerWaalsContact CD1-CD1 3.43Å; L79-L103 HydrophobicContact CG-CD1 4.06Å; A99-L103 WeakPolarHBondContact O-CB 3.3Å; A99-L103 WeakPolarHBondContact O-CD1 3.35Å; A99-L103 VanDerWaalsContact O-CG 3.27Å; A99-L103 WeakPolarHBondContact O-CG 3.36Å; A99-L103 PolarHBondContact O-N 3.36Å; L103-A107 WeakPolarHBondContact O-CB 3.46Å; L103-A107 PolarHBondContact O-N 3.13Å; L103-A107 VanDerWaalsContact O-N 3.1Å; L103-L117 HydrophobicContact CD2-CD1 3.76Å; L103-L124 HydrophobicContact CB-CD1 4.35Å
104I96.3Very high94.6Very high0 Ų033.8 Ų33.80%020%0.195CC..Hα-helixtrans-65.9-41176.4-66.8167.5000111V100 S101 T102 P108 A121 L124 Y132 C136 R137V100-I104 HydrophobicContact CG1-CD1 3.88Å; V100-I104 VanDerWaalsContact O-CG1 3.29Å; V100-I104 WeakPolarHBondContact O-CG1 3.37Å; V100-I104 PolarHBondContact O-N 2.95Å; V100-I104 VanDerWaalsContact O-N 3.13Å; S101-I104 PolarHBondContact O-N 3.22Å; T102-I104 PolarHBondContact O-N 3.49Å; I104-P108 WeakPolarHBondContact O-CD 3.45Å; I104-A121 HydrophobicContact CG1-CB 4.31Å; I104-L124 HydrophobicContact CD1-CB 3.92Å; I104-L124 HydrophobicContact CG1-CB 4.08Å; I104-L124 HydrophobicContact CG1-CD1 4.33Å; I104-Y132 HydrophobicContact CD1-CD1 4.31Å; I104-Y132 HydrophobicContact CD1-CE1 4.21Å; I104-C136 HydrophobicContact CB-CB 3.96Å; I104-C136 HydrophobicContact CD1-CB 4.47Å; I104-C136 HydrophobicContact CG2-CB 3.68Å; I104-R137 HydrophobicContact CG2-CG 4.05Å
105W96.4Very high94.8Very high10 Ų1031.5 Ų31.54%0.03818%0.183CC..Hα-helixtrans-67.6-39.8178.4-178.295.1000112.3S101 T102 P108 R109 R137 V144 L148 M149 L152S101-W105 WeakPolarHBondContact O-CB 3.45Å; S101-W105 PolarHBondContact O-N 2.83Å; T102-W105 PolarHBondContact O-N 3.1Å; W105-P108 WeakPolarHBondContact O-CD 3.33Å; W105-R109 VanDerWaalsContact CE2-NH1 3.33Å; W105-R109 VanDerWaalsContact CE2-NH2 3.33Å; W105-R109 VanDerWaalsContact CH2-CD 3.49Å; W105-R109 VanDerWaalsContact CH2-NE 3.25Å; W105-R109 VanDerWaalsContact CZ3-CD 3.43Å; W105-R109 PolarHBondContact O-NH1 3.15Å; W105-R137 VanDerWaalsContact CD1-O 3.3Å; W105-V144 HydrophobicContact CB-CG1 4.06Å; W105-V144 HydrophobicContact CB-CG2 3.83Å; W105-V144 HydrophobicContact CD2-CG1 3.98Å; W105-V144 HydrophobicContact CE3-CG1 4.23Å; W105-V144 HydrophobicContact CG-CG1 3.93Å; W105-V144 HydrophobicContact CG-CG2 4.05Å; W105-L148 HydrophobicContact CE3-CD2 3.72Å; W105-L148 HydrophobicContact CZ3-CD2 3.5Å; W105-L148 VanDerWaalsContact CZ3-CD2 3.5Å; W105-M149 HydrophobicContact CD2-CG 4.3Å; W105-M149 HydrophobicContact CE3-CG 4.33Å; W105-M149 HydrophobicContact CH2-CB 4Å; W105-M149 HydrophobicContact CH2-CG 3.74Å; W105-M149 HydrophobicContact CZ2-CB 4.14Å; W105-M149 HydrophobicContact CZ2-CE 4.01Å; W105-M149 HydrophobicContact CZ2-CG 3.64Å; W105-M149 HydrophobicContact CZ2-SD 4.33Å; W105-M149 HydrophobicContact CZ3-CG 4.08Å; W105-L152 HydrophobicContact CH2-CB 4.1Å; W105-L152 HydrophobicContact CZ3-CB 4.01Å; W105-L152 HydrophobicContact CZ3-CD1 3.97Å
106A96.3Very high95Very high0 Ų032.5 Ų32.50%018%0.178CC..Hα-helixtrans-74.9-28-178.800000113.5L72 T102 R109 L110 L117 L148 L152L72-A106 HydrophobicContact CD1-CB 3.92Å; L72-A106 HydrophobicContact CD2-CB 3.67Å; L72-A106 HydrophobicContact CG-CB 4.45Å; T102-A106 WeakPolarHBondContact O-CB 3.46Å; T102-A106 PolarHBondContact O-N 2.79Å; A106-R109 WeakPolarHBondContact O-CA 3.49Å; A106-R109 WeakPolarHBondContact O-CB 3.26Å; A106-R109 PolarHBondContact O-N 3.35Å; A106-L110 PolarHBondContact O-N 3.16Å; A106-L117 HydrophobicContact CB-CD2 4.45Å; A106-L148 HydrophobicContact CB-CD2 4.49Å; A106-L152 HydrophobicContact CB-CD1 4.32Å
107A95.7Very high95.1Very high4 Ų432.6 Ų32.63%0.03318%0.178CC..THydrogen-bonded Turntrans-49.2-50.8-17700000116L103 R109 Q111 L117 A121L103-A107 WeakPolarHBondContact O-CB 3.46Å; L103-A107 PolarHBondContact O-N 3.13Å; L103-A107 VanDerWaalsContact O-N 3.1Å; A107-R109 VanDerWaalsContact C-N 3.25Å; A107-R109 PolarHBondContact O-N 2.97Å; A107-Q111 PolarHBondContact O-N 2.8Å; A107-L117 HydrophobicContact CB-CD2 4.49Å; A107-L117 HydrophobicContact CB-CG 4.08Å; A107-A121 HydrophobicContact CB-CB 3.47Å; A107-A121 VanDerWaalsContact CB-CB 3.47Å
108P94.4Very high95.2Very high54 Ų5436.8 Ų36.835%0.35119%0.193SC..THydrogen-bonded Turntrans-67.8-23.3177.326.9-36000113.7I104 W105 Q111I104-P108 WeakPolarHBondContact O-CD 3.45Å; W105-P108 WeakPolarHBondContact O-CD 3.33Å; P108-Q111 WeakPolarHBondContact O-CG 3.32Å
109R94Very high95.2Very high108 Ų10835 Ų3541%0.40819%0.186SC..THydrogen-bonded Turntrans-82.2-32.3-176.7-68.1160.5171.288.91112.1W105 A106 A107W105-R109 VanDerWaalsContact CE2-NH1 3.33Å; W105-R109 VanDerWaalsContact CE2-NH2 3.33Å; W105-R109 VanDerWaalsContact CH2-CD 3.49Å; W105-R109 VanDerWaalsContact CH2-NE 3.25Å; W105-R109 VanDerWaalsContact CZ3-CD 3.43Å; W105-R109 PolarHBondContact O-NH1 3.15Å; A106-R109 WeakPolarHBondContact O-CA 3.49Å; A106-R109 WeakPolarHBondContact O-CB 3.26Å; A106-R109 PolarHBondContact O-N 3.35Å; A107-R109 VanDerWaalsContact C-N 3.25Å; A107-R109 PolarHBondContact O-N 2.97Å
110L93.8Very high95.2Very high6 Ų635 Ų353%0.03119%0.186CC..SBendtrans-106.512179.2-62.6-177.9000114.2L65 L72 A106 S112 E113 V114 L117 L152L65-L110 HydrophobicContact CD1-CD2 3.46Å; L65-L110 VanDerWaalsContact CD1-CD2 3.46Å; L72-L110 HydrophobicContact CD1-CD1 3.17Å; A106-L110 PolarHBondContact O-N 3.16Å; L110-S112 PolarHBondContact O-N 2.59Å; L110-S112 VanDerWaalsContact O-N 3.08Å; L110-E113 PolarHBondContact O-N 2.76Å; L110-V114 PolarHBondContact O-N 3.11Å; L110-L117 HydrophobicContact CB-CD2 4.08Å; L110-L117 HydrophobicContact CD1-CD2 4.34Å; L110-L152 HydrophobicContact CD1-CD1 4.48Å; L110-L152 HydrophobicContact CD2-CD2 4.16Å; L110-L152 HydrophobicContact CG-CD1 4.43Å
111Q91.6Very high95.2Very high117 Ų11735 Ų3555%0.54719%0.186SC..THydrogen-bonded Turntrans-58.4-26.6-175.369.5175.69.200114.1A107 P108A107-Q111 PolarHBondContact O-N 2.8Å; P108-Q111 WeakPolarHBondContact O-CG 3.32Å
112S93.1Very high95.2Very high104 Ų10437.9 Ų37.973%0.72720%0.201SC*.THydrogen-bonded Turntrans-77.1-27.5179.950.90000113.2L110L110-S112 PolarHBondContact O-N 2.59Å; L110-S112 VanDerWaalsContact O-N 3.08Å
113E92.1Very high95.1Very high54 Ų5438.4 Ų38.425%0.25220%0.204SC..THydrogen-bonded Turntrans-99.4-35.6-175.9-62.4-75.5-168.100111.2R21 L25 K29 L110R21-E113 PolarHBondContact NE-O 3.4Å; R21-E113 PolarHBondContact NH2-O 3.48Å; L25-E113 HydrophobicContact CD1-CB 4.05Å; K29-E113 IonicContact NZ-OE1 2.72Å; K29-E113 PolarHBondContact NZ-OE1 3.11Å; L110-E113 PolarHBondContact O-N 2.76Å
114V94.9Very high95Very high1 Ų138.4 Ų38.41%0.00620%0.204CC..  trans-132.988.9-175.2-1680000110.6V18 R21 L22 L25 L110 E116 L117V18-V114 HydrophobicContact CG1-CG1 4.3Å; V18-V114 HydrophobicContact CG2-CG1 4.13Å; R21-V114 HydrophobicContact CG-CG1 4.11Å; R21-V114 HydrophobicContact CG-CG2 4.17Å; L22-V114 HydrophobicContact CD2-CG2 3.93Å; L25-V114 HydrophobicContact CD1-CG2 3.62Å; L110-V114 PolarHBondContact O-N 3.11Å; V114-E116 VanDerWaalsContact C-N 3.29Å; V114-E116 PolarHBondContact O-N 3.31Å; V114-L117 HydrophobicContact CB-CB 4.19Å; V114-L117 HydrophobicContact CG1-CB 3.87Å; V114-L117 WeakPolarHBondContact O-CB 3.35Å; V114-L117 PolarHBondContact O-N 3.11Å
115A94.9Very high94.9Very high63 Ų6338.8 Ų38.852%0.52121%0.207SC..Hα-helixtrans-67.2-30.6-178.500000112.7L117 K118A115-L117 PolarHBondContact O-N 3.14Å; A115-K118 WeakPolarHBondContact O-CB 3.45Å; A115-K118 PolarHBondContact O-N 3.36Å
116E95.4Very high94.7Very high57 Ų5740 Ų4027%0.26622%0.218SC..Hα-helixtrans-65.8-28.3179.9-62.578.2-172.800112.1L17 V18 V114 K118 I119 V120L17-E116 HydrophobicContact CB-CG 4.09Å; L17-E116 HydrophobicContact CD1-CG 4.44Å; V18-E116 HydrophobicContact CG2-CB 3.61Å; V114-E116 VanDerWaalsContact C-N 3.29Å; V114-E116 PolarHBondContact O-N 3.31Å; E116-K118 PolarHBondContact O-N 3.44Å; E116-I119 WeakPolarHBondContact O-CA 3.21Å; E116-I119 WeakPolarHBondContact O-CB 3.15Å; E116-I119 PolarHBondContact O-N 3.49Å; E116-V120 PolarHBondContact O-N 2.97Å
117L96.3Very high94.6Very high2 Ų241.9 Ų41.91%0.0123%0.227CC..Hα-helixtrans-62.4-33.8178.2-173.762.7000111.3V18 L72 L103 A106 A107 L110 V114 A115 I119 V120 A121V18-L117 HydrophobicContact CG1-CD1 4.36Å; V18-L117 HydrophobicContact CG2-CB 4.37Å; L72-L117 HydrophobicContact CD1-CD2 4.5Å; L103-L117 HydrophobicContact CD2-CD1 3.76Å; A106-L117 HydrophobicContact CB-CD2 4.45Å; A107-L117 HydrophobicContact CB-CD2 4.49Å; A107-L117 HydrophobicContact CB-CG 4.08Å; L110-L117 HydrophobicContact CB-CD2 4.08Å; L110-L117 HydrophobicContact CD1-CD2 4.34Å; V114-L117 HydrophobicContact CB-CB 4.19Å; V114-L117 HydrophobicContact CG1-CB 3.87Å; V114-L117 WeakPolarHBondContact O-CB 3.35Å; V114-L117 PolarHBondContact O-N 3.11Å; A115-L117 PolarHBondContact O-N 3.14Å; L117-I119 VanDerWaalsContact C-N 3.32Å; L117-I119 PolarHBondContact O-N 3.35Å; L117-V120 PolarHBondContact O-N 3.21Å; L117-A121 WeakPolarHBondContact O-CB 3.37Å; L117-A121 PolarHBondContact O-N 3.12Å
118K95.9Very high94.4Very high106 Ų10642.9 Ų42.946%0.46123%0.23SC..Hα-helixtrans-60.9-42.8171.8-175.2-174.6178.1-61.40111.4A115 E116 A121 D122A115-K118 WeakPolarHBondContact O-CB 3.45Å; A115-K118 PolarHBondContact O-N 3.36Å; E116-K118 PolarHBondContact O-N 3.44Å; K118-A121 PolarHBondContact O-N 3.06Å; K118-D122 IonicContact NZ-OD2 2.59Å; K118-D122 PolarHBondContact NZ-OD2 3.36Å; K118-D122 WeakPolarHBondContact O-CB 3.48Å; K118-D122 VanDerWaalsContact O-CG 3.22Å; K118-D122 PolarHBondContact O-N 2.91Å
119I95.9Very high94.2Very high48 Ų4843.1 Ų43.125%0.24623%0.233CC..Hα-helixtrans-65.4-43.1179.8-55173.4000109.8N14 E116 L117 D122 Q123N14-I119 HydrophobicContact CB-CG2 4.46Å; N14-I119 WeakPolarHBondContact OD1-CD1 3.28Å; E116-I119 WeakPolarHBondContact O-CA 3.21Å; E116-I119 WeakPolarHBondContact O-CB 3.15Å; E116-I119 PolarHBondContact O-N 3.49Å; L117-I119 VanDerWaalsContact C-N 3.32Å; L117-I119 PolarHBondContact O-N 3.35Å; I119-D122 PolarHBondContact O-N 3.3Å; I119-Q123 VanDerWaalsContact O-CG 3.32Å; I119-Q123 WeakPolarHBondContact O-CG 3.29Å; I119-Q123 PolarHBondContact O-N 3.02Å
120V96.9Very high94Very high0 Ų045.7 Ų45.70%025%0.247CC..Hα-helixtrans-57.6-51174.51710000110.7L11 N14 L15 V18 E116 L117 D122 Q123 L124L11-V120 HydrophobicContact CD1-CB 4.29Å; L11-V120 HydrophobicContact CD1-CG1 3.82Å; L11-V120 HydrophobicContact CD1-CG2 4.37Å; N14-V120 HydrophobicContact CB-CG2 3.76Å; L15-V120 HydrophobicContact CD2-CG1 3.73Å; L15-V120 HydrophobicContact CD2-CG2 4.17Å; L15-V120 HydrophobicContact CG-CG1 4.38Å; L15-V120 HydrophobicContact CG-CG2 4.29Å; V18-V120 HydrophobicContact CG2-CG2 3.97Å; E116-V120 PolarHBondContact O-N 2.97Å; L117-V120 PolarHBondContact O-N 3.21Å; V120-D122 PolarHBondContact O-N 3.12Å; V120-Q123 PolarHBondContact O-N 3.25Å; V120-L124 HydrophobicContact CG1-CD1 3.92Å; V120-L124 HydrophobicContact CG1-CG 4.49Å; V120-L124 WeakPolarHBondContact O-CG 3.49Å; V120-L124 PolarHBondContact O-N 2.77Å
121A96Very high93.8Very high1 Ų150.6 Ų50.61%0.00827%0.27CS..Hα-helixtrans-61.1-41.7178.600000112.5I104 A107 L117 K118 Q123 L124 C125I104-A121 HydrophobicContact CG1-CB 4.31Å; A107-A121 HydrophobicContact CB-CB 3.47Å; A107-A121 VanDerWaalsContact CB-CB 3.47Å; L117-A121 WeakPolarHBondContact O-CB 3.37Å; L117-A121 PolarHBondContact O-N 3.12Å; K118-A121 PolarHBondContact O-N 3.06Å; A121-Q123 VanDerWaalsContact C-N 3.33Å; A121-Q123 PolarHBondContact O-N 3.35Å; A121-L124 PolarHBondContact O-N 3.33Å; A121-C125 WeakPolarHBondContact O-CB 3.29Å; A121-C125 PolarHBondContact O-N 3.19Å; A121-C125 PolarHBondContact O-SG 3.04Å
122D95Very high93.8Very high60 Ų6046.5 Ų46.532%0.32125%0.25SC..Hα-helixtrans-63.7-38.3177.3-72.4-21.5000111.7K118 I119 V120 A126K118-D122 IonicContact NZ-OD2 2.59Å; K118-D122 PolarHBondContact NZ-OD2 3.36Å; K118-D122 WeakPolarHBondContact O-CB 3.48Å; K118-D122 VanDerWaalsContact O-CG 3.22Å; K118-D122 PolarHBondContact O-N 2.91Å; I119-D122 PolarHBondContact O-N 3.3Å; V120-D122 PolarHBondContact O-N 3.12Å; D122-A126 WeakPolarHBondContact O-CB 3.26Å; D122-A126 PolarHBondContact O-N 2.75Å
123Q95.4Very high93.7Very high12 Ų1241.6 Ų41.66%0.05622%0.215CC..Hα-helixtrans-66.4-43.7173.9-70.4-57.3-56.100112.1F6 K7 L11 I119 V120 A121 A126 K127F6-Q123 HydrophobicContact CD2-CB 4.4Å; F6-Q123 WeakPolarHBondContact CD2-O 3.46Å; K7-Q123 PolarHBondContact O-OE1 3.28Å; L11-Q123 HydrophobicContact CB-CB 4.06Å; L11-Q123 HydrophobicContact CB-CG 4.3Å; L11-Q123 HydrophobicContact CD1-CB 4.01Å; L11-Q123 HydrophobicContact CG-CB 4.49Å; I119-Q123 VanDerWaalsContact O-CG 3.32Å; I119-Q123 WeakPolarHBondContact O-CG 3.29Å; I119-Q123 PolarHBondContact O-N 3.02Å; V120-Q123 PolarHBondContact O-N 3.25Å; A121-Q123 VanDerWaalsContact C-N 3.33Å; A121-Q123 PolarHBondContact O-N 3.35Å; Q123-A126 PolarHBondContact O-N 3.34Å; Q123-K127 PolarHBondContact O-N 2.75Å
124L94.4Very high93.8Very high0 Ų044.5 Ų44.50%023%0.227CC..Hα-helixtrans-64.3-39.8176.8-67.6170.7000111.8L11 L79 V100 L103 I104 V120 A121 A126 K127 Y128L11-L124 HydrophobicContact CD1-CD2 4.4Å; L11-L124 HydrophobicContact CD1-CG 4.28Å; L11-L124 HydrophobicContact CD2-CD2 3.94Å; L79-L124 HydrophobicContact CD1-CD1 4.12Å; L79-L124 HydrophobicContact CD1-CD2 4.27Å; V100-L124 HydrophobicContact CG1-CB 4.31Å; V100-L124 HydrophobicContact CG1-CD1 4.26Å; V100-L124 HydrophobicContact CG1-CD2 4.29Å; V100-L124 HydrophobicContact CG2-CD2 4.18Å; L103-L124 HydrophobicContact CB-CD1 4.35Å; I104-L124 HydrophobicContact CD1-CB 3.92Å; I104-L124 HydrophobicContact CG1-CB 4.08Å; I104-L124 HydrophobicContact CG1-CD1 4.33Å; V120-L124 HydrophobicContact CG1-CD1 3.92Å; V120-L124 HydrophobicContact CG1-CG 4.49Å; V120-L124 WeakPolarHBondContact O-CG 3.49Å; V120-L124 PolarHBondContact O-N 2.77Å; A121-L124 PolarHBondContact O-N 3.33Å; L124-A126 VanDerWaalsContact C-N 3.34Å; L124-A126 PolarHBondContact O-N 3.25Å; L124-K127 PolarHBondContact O-N 2.99Å; L124-Y128 HydrophobicContact CD2-CE2 4.17Å; L124-Y128 WeakPolarHBondContact O-CD2 3.49Å; L124-Y128 PolarHBondContact O-N 3.36Å
125C94.1Very high93.7Very high8 Ų847.6 Ų47.65%0.05424%0.243CC..Hα-helixtrans-63.6-38.4172.6-66.50000112A121 K127 S129 K130 G133 R137A121-C125 WeakPolarHBondContact O-CB 3.29Å; A121-C125 PolarHBondContact O-N 3.19Å; A121-C125 PolarHBondContact O-SG 3.04Å; C125-K127 VanDerWaalsContact C-N 3.28Å; C125-K127 PolarHBondContact O-N 3.01Å; C125-S129 CarbonylContact O-C 3.57Å; C125-S129 VanDerWaalsContact O-CA 3.31Å; C125-S129 WeakPolarHBondContact O-CA 3.29Å; C125-S129 PolarHBondContact O-N 3.18Å; C125-S129 VanDerWaalsContact O-N 3.11Å; C125-S129 VanDerWaalsContact O-O 3.07Å; C125-K130 PolarHBondContact O-N 3.13Å; C125-G133 VanDerWaalsContact SG-CA 3.52Å; C125-R137 PolarHBondContact SG-NH2 3.04Å; C125-R137 VanDerWaalsContact SG-NH2 3.43Å
126A93.2Very high93.6Very high35 Ų3544.6 Ų44.629%0.28922%0.218SC..Hα-helixtrans-68-29.9175.900000112.4F6 D122 Q123 L124F6-A126 HydrophobicContact CB-CB 4.2Å; D122-A126 WeakPolarHBondContact O-CB 3.26Å; D122-A126 PolarHBondContact O-N 2.75Å; Q123-A126 PolarHBondContact O-N 3.34Å; L124-A126 VanDerWaalsContact C-N 3.34Å; L124-A126 PolarHBondContact O-N 3.25Å
127K93.1Very high93.4Very high39 Ų3946.2 Ų46.217%0.1722%0.222CC..Hα-helixtrans-76.4-50.6177.7179.969.5-169.2-158.40112.7F6 I86 M89 Q123 L124 C125F6-K127 HydrophobicContact CB-CB 4.39Å; F6-K127 HydrophobicContact CD1-CD 3.69Å; F6-K127 HydrophobicContact CD2-CB 3.69Å; F6-K127 HydrophobicContact CD2-CD 4.31Å; F6-K127 HydrophobicContact CD2-CG 4.42Å; F6-K127 HydrophobicContact CE1-CD 3.73Å; F6-K127 HydrophobicContact CE2-CB 4.02Å; F6-K127 HydrophobicContact CE2-CD 4.34Å; F6-K127 HydrophobicContact CE2-CG 4.4Å; F6-K127 HydrophobicContact CG-CB 3.95Å; F6-K127 HydrophobicContact CG-CD 3.98Å; F6-K127 HydrophobicContact CG-CG 4.5Å; F6-K127 HydrophobicContact CZ-CD 4.05Å; F6-K127 HydrophobicContact CZ-CG 4.49Å; I86-K127 WeakPolarHBondContact O-CE 3.49Å; I86-K127 PolarHBondContact O-NZ 2.97Å; M89-K127 WeakPolarHBondContact O-CE 3.29Å; M89-K127 PolarHBondContact O-NZ 3.17Å; Q123-K127 PolarHBondContact O-N 2.75Å; L124-K127 PolarHBondContact O-N 2.99Å; C125-K127 VanDerWaalsContact C-N 3.28Å; C125-K127 PolarHBondContact O-N 3.01Å
128Y91.3Very high93.2Very high25 Ų2550.1 Ų50.110%0.09825%0.246CC..Hα-helixtrans-102.39.4-169.8-61.9-65.4000114.8L92 V100 L124 Y132L92-Y128 HydrophobicContact CB-CD1 3.81Å; L92-Y128 HydrophobicContact CB-CE1 3.71Å; L92-Y128 HydrophobicContact CD1-CD1 4.34Å; L92-Y128 HydrophobicContact CD1-CD2 4.3Å; L92-Y128 HydrophobicContact CD1-CE1 3.83Å; L92-Y128 HydrophobicContact CD1-CE2 3.79Å; L92-Y128 HydrophobicContact CG-CE1 4.36Å; V100-Y128 HydrophobicContact CG1-CD2 3.93Å; V100-Y128 HydrophobicContact CG1-CE2 4.08Å; V100-Y128 HydrophobicContact CG2-CE2 4.21Å; L124-Y128 HydrophobicContact CD2-CE2 4.17Å; L124-Y128 WeakPolarHBondContact O-CD2 3.49Å; L124-Y128 PolarHBondContact O-N 3.36Å; Y128-Y132 VanDerWaalsContact O-CB 3.29Å; Y128-Y132 WeakPolarHBondContact O-CB 3.3Å
129S90.3Very high92.9Very high60 Ų6046.8 Ų46.842%0.4223%0.233SC..  trans91.9147.3-175.384.30000115.3C125 E131 Y132 G133C125-S129 CarbonylContact O-C 3.57Å; C125-S129 VanDerWaalsContact O-CA 3.31Å; C125-S129 WeakPolarHBondContact O-CA 3.29Å; C125-S129 PolarHBondContact O-N 3.18Å; C125-S129 VanDerWaalsContact O-N 3.11Å; C125-S129 VanDerWaalsContact O-O 3.07Å; S129-E131 VanDerWaalsContact C-N 3.3Å; S129-E131 PolarHBondContact O-N 2.94Å; S129-Y132 PolarHBondContact O-N 3.05Å; S129-Y132 WeakPolarHBondContact OG-CB 3.3Å; S129-Y132 PolarHBondContact OG-N 2.92Å; S129-Y132 VanDerWaalsContact OG-N 3.13Å; S129-G133 PolarHBondContact O-N 3.4Å; S129-G133 VanDerWaalsContact O-N 3.14Å
130K89.8Confident92.4Very high162 Ų16251.2 Ų51.270%0.70425%0.253SS*.Hα-helixtrans-65.6-33.7176.2-67.7-173.6178.2-177.50112.2C125 G133 K134C125-K130 PolarHBondContact O-N 3.13Å; K130-G133 PolarHBondContact O-N 2.77Å; K130-K134 WeakPolarHBondContact O-CG 3.43Å; K130-K134 PolarHBondContact O-N 3Å
131E91.3Very high91.7Very high109 Ų10954 Ų5451%0.50927%0.267SS..Hα-helixtrans-67.5-43.4177.9-60.4-48.2121.900111S129 G133 K134 L135S129-E131 VanDerWaalsContact C-N 3.3Å; S129-E131 PolarHBondContact O-N 2.94Å; E131-G133 VanDerWaalsContact C-N 3.28Å; E131-G133 PolarHBondContact O-N 3.45Å; E131-K134 WeakPolarHBondContact O-CB 3.4Å; E131-K134 PolarHBondContact O-N 3.26Å; E131-K134 IonicContact OE1-NZ 3.46Å; E131-K134 PolarHBondContact OE1-NZ 3.39Å; E131-K134 IonicContact OE2-NZ 3.39Å; E131-K134 PolarHBondContact OE2-NZ 3.46Å; E131-L135 WeakPolarHBondContact O-CG 3.32Å; E131-L135 PolarHBondContact O-N 2.72Å
132Y91Very high91.3Very high31 Ų3156.7 Ų56.712%0.12230%0.295CS..Hα-helixtrans-55-46.5170.7-175.7-92.9000111.5L92 V100 S101 I104 Y128 S129 K134 L135 C136 I141L92-Y132 HydrophobicContact CD2-CE1 4.08Å; L92-Y132 HydrophobicContact CD2-CE2 3.86Å; L92-Y132 VanDerWaalsContact CD2-CZ 3.4Å; L92-Y132 WeakPolarHBondContact CD2-OH 3.38Å; V100-Y132 HydrophobicContact CG1-CE1 4.06Å; S101-Y132 PolarHBondContact OG-OH 3.47Å; I104-Y132 HydrophobicContact CD1-CD1 4.31Å; I104-Y132 HydrophobicContact CD1-CE1 4.21Å; Y128-Y132 VanDerWaalsContact O-CB 3.29Å; Y128-Y132 WeakPolarHBondContact O-CB 3.3Å; S129-Y132 PolarHBondContact O-N 3.05Å; S129-Y132 WeakPolarHBondContact OG-CB 3.3Å; S129-Y132 PolarHBondContact OG-N 2.92Å; S129-Y132 VanDerWaalsContact OG-N 3.13Å; Y132-K134 VanDerWaalsContact C-N 3.28Å; Y132-K134 PolarHBondContact O-N 3.46Å; Y132-L135 PolarHBondContact O-N 3.01Å; Y132-C136 VanDerWaalsContact CD1-SG 3.59Å; Y132-C136 WeakPolarHBondContact CE1-SG 3.42Å; Y132-C136 VanDerWaalsContact CZ-SG 3.51Å; Y132-C136 PolarHBondContact O-N 3.2Å; Y132-C136 PolarHBondContact O-SG 3.42Å; Y132-I141 HydrophobicContact CD2-CD1 3.86Å; Y132-I141 HydrophobicContact CE2-CD1 3.22Å
133G91.4Very high91.2Very high0 Ų056.2 Ų56.20%029%0.294CS..Hα-helixtrans-60.5-31.4176.700000114.7C125 S129 K130 E131 R137C125-G133 VanDerWaalsContact SG-CA 3.52Å; S129-G133 PolarHBondContact O-N 3.4Å; S129-G133 VanDerWaalsContact O-N 3.14Å; K130-G133 PolarHBondContact O-N 2.77Å; E131-G133 VanDerWaalsContact C-N 3.28Å; E131-G133 PolarHBondContact O-N 3.45Å; G133-R137 WeakPolarHBondContact O-CG 3.5Å; G133-R137 PolarHBondContact O-N 3.19Å; G133-R137 PolarHBondContact O-NE 3.36Å
134K92.4Very high91.1Very high115 Ų11555.9 Ų55.950%0.529%0.293SS..Hα-helixtrans-72.8-46.4174-69.8171.3-173.71650111.1K130 E131 Y132 C136 R137 T138K130-K134 WeakPolarHBondContact O-CG 3.43Å; K130-K134 PolarHBondContact O-N 3Å; E131-K134 WeakPolarHBondContact O-CB 3.4Å; E131-K134 PolarHBondContact O-N 3.26Å; E131-K134 IonicContact OE1-NZ 3.46Å; E131-K134 PolarHBondContact OE1-NZ 3.39Å; E131-K134 IonicContact OE2-NZ 3.39Å; E131-K134 PolarHBondContact OE2-NZ 3.46Å; Y132-K134 VanDerWaalsContact C-N 3.28Å; Y132-K134 PolarHBondContact O-N 3.46Å; K134-C136 VanDerWaalsContact C-N 3.27Å; K134-C136 PolarHBondContact O-N 3.19Å; K134-R137 PolarHBondContact O-N 2.96Å; K134-R137 VanDerWaalsContact O-N 3.12Å; K134-T138 PolarHBondContact O-N 3.34Å; K134-T138 PolarHBondContact O-OG1 3.25Å
135L93.3Very high91.1Very high67 Ų6757.3 Ų57.335%0.35130%0.301SS..Hα-helixtrans-60-37.7178-67171.8000112E131 Y132 T138 N139 Q140 I141E131-L135 WeakPolarHBondContact O-CG 3.32Å; E131-L135 PolarHBondContact O-N 2.72Å; Y132-L135 PolarHBondContact O-N 3.01Å; L135-T138 PolarHBondContact O-OG1 3.21Å; L135-N139 PolarHBondContact O-N 2.93Å; L135-N139 VanDerWaalsContact O-N 3.14Å; L135-Q140 HydrophobicContact CD2-CB 3.87Å; L135-Q140 VanDerWaalsContact CD2-OE1 3.3Å; L135-Q140 PolarHBondContact O-N 3.37Å; L135-I141 HydrophobicContact CB-CB 4.47Å
136C93.7Very high91Very high0 Ų062.7 Ų62.70%033%0.329CS..Hα-helixtrans-65-43.9174.4-660000111.8I104 Y132 K134 T138 N139I104-C136 HydrophobicContact CB-CB 3.96Å; I104-C136 HydrophobicContact CD1-CB 4.47Å; I104-C136 HydrophobicContact CG2-CB 3.68Å; Y132-C136 VanDerWaalsContact CD1-SG 3.59Å; Y132-C136 WeakPolarHBondContact CE1-SG 3.42Å; Y132-C136 VanDerWaalsContact CZ-SG 3.51Å; Y132-C136 PolarHBondContact O-N 3.2Å; Y132-C136 PolarHBondContact O-SG 3.42Å; K134-C136 VanDerWaalsContact C-N 3.27Å; K134-C136 PolarHBondContact O-N 3.19Å; C136-T138 VanDerWaalsContact C-N 3.3Å; C136-T138 PolarHBondContact O-N 3.41Å; C136-N139 PolarHBondContact O-N 3.02Å; C136-N139 VanDerWaalsContact O-N 3.11Å
137R91.3Very high91Very high91 Ų9166.7 Ų66.734%0.34334%0.337SS..Hα-helixtrans-63.2-34.3-178.9-76.8178.8-124.5-113.52.7113.5I104 W105 C125 G133 K134I104-R137 HydrophobicContact CG2-CG 4.05Å; W105-R137 VanDerWaalsContact CD1-O 3.3Å; C125-R137 PolarHBondContact SG-NH2 3.04Å; C125-R137 VanDerWaalsContact SG-NH2 3.43Å; G133-R137 WeakPolarHBondContact O-CG 3.5Å; G133-R137 PolarHBondContact O-N 3.19Å; G133-R137 PolarHBondContact O-NE 3.36Å; K134-R137 PolarHBondContact O-N 2.96Å; K134-R137 VanDerWaalsContact O-N 3.12Å
138T91.1Very high91.1Very high84 Ų8464.8 Ų64.852%0.51533%0.328SS..THydrogen-bonded Turntrans-90.81.4177.355.20000113.4K134 L135 C136 Q140K134-T138 PolarHBondContact O-N 3.34Å; K134-T138 PolarHBondContact O-OG1 3.25Å; L135-T138 PolarHBondContact O-OG1 3.21Å; C136-T138 VanDerWaalsContact C-N 3.3Å; C136-T138 PolarHBondContact O-N 3.41Å; T138-Q140 PolarHBondContact O-N 3.47Å; T138-Q140 VanDerWaalsContact O-N 3.16Å; T138-Q140 WeakPolarHBondContact OG1-CG 3.39Å; T138-Q140 PolarHBondContact OG1-NE2 3.3Å
139N89.6Confident91.1Very high35 Ų3565.9 Ų65.919%0.18734%0.335CS..THydrogen-bonded Turntrans50.129.2-171.1-165.135.6000114.4L135 C136 I141 G142 V144 M149L135-N139 PolarHBondContact O-N 2.93Å; L135-N139 VanDerWaalsContact O-N 3.14Å; C136-N139 PolarHBondContact O-N 3.02Å; C136-N139 VanDerWaalsContact O-N 3.11Å; N139-I141 PolarHBondContact O-N 3.45Å; N139-G142 PolarHBondContact O-N 2.72Å; N139-V144 HydrophobicContact CB-CG2 4.33Å; N139-V144 VanDerWaalsContact OD1-CB 3.27Å; N139-V144 WeakPolarHBondContact OD1-CB 3.41Å; N139-V144 WeakPolarHBondContact OD1-CG2 3.08Å; N139-M149 HydrophobicContact CB-CE 4.11Å; N139-M149 HydrophobicContact CB-SD 4.16Å; N139-M149 VanDerWaalsContact CG-SD 3.59Å; N139-M149 WeakPolarHBondContact ND2-CE 3.34Å; N139-M149 PolarHBondContact ND2-SD 3.48Å
140Q85.8Confident91.2Very high141 Ų14168.4 Ų68.466%0.65934%0.34SS*.THydrogen-bonded Turntrans-71-19.8176-77.1174.923.300112.6L135 T138L135-Q140 HydrophobicContact CD2-CB 3.87Å; L135-Q140 VanDerWaalsContact CD2-OE1 3.3Å; L135-Q140 PolarHBondContact O-N 3.37Å; T138-Q140 PolarHBondContact O-N 3.47Å; T138-Q140 VanDerWaalsContact O-N 3.16Å; T138-Q140 WeakPolarHBondContact OG1-CG 3.39Å; T138-Q140 PolarHBondContact OG1-NE2 3.3Å
141I82.7Confident91.3Very high59 Ų5961.7 Ų61.730%0.30331%0.311SS..THydrogen-bonded Turntrans-79-19.3177.7-164.6156.7000113Y132 L135 N139 T143Y132-I141 HydrophobicContact CD2-CD1 3.86Å; Y132-I141 HydrophobicContact CE2-CD1 3.22Å; L135-I141 HydrophobicContact CB-CB 4.47Å; N139-I141 PolarHBondContact O-N 3.45Å; I141-T143 HydrophobicContact CG1-CG2 4.2Å; I141-T143 VanDerWaalsContact CG2-OG1 3.32Å; I141-T143 WeakPolarHBondContact CG2-OG1 3.47Å; I141-T143 PolarHBondContact O-N 3.43Å
142G88.3Confident91.4Very high58 Ų5857.6 Ų57.660%0.59829%0.292SS*.SBendtrans63.820.1178.400000115N139N139-G142 PolarHBondContact O-N 2.72Å
143T91.2Very high91.3Very high49 Ų4958.4 Ų58.430%0.30130%0.302SS..  trans-109.46178.158.10000112.8E98 S101 I141E98-T143 VanDerWaalsContact CA-O 3.31Å; E98-T143 WeakPolarHBondContact CA-O 3.45Å; S101-T143 WeakPolarHBondContact CB-OG1 3.48Å; S101-T143 PolarHBondContact OG-OG1 3.47Å; I141-T143 HydrophobicContact CG1-CG2 4.2Å; I141-T143 VanDerWaalsContact CG2-OG1 3.32Å; I141-T143 WeakPolarHBondContact CG2-OG1 3.47Å; I141-T143 PolarHBondContact O-N 3.43Å
144V93.8Very high90.9Very high5 Ų565 Ų653%0.0334%0.343CS..SBendtrans-75.9142.7172.31800000108.6T102 W105 N139 D146 M149T102-V144 HydrophobicContact CG2-CG1 4.28Å; W105-V144 HydrophobicContact CB-CG1 4.06Å; W105-V144 HydrophobicContact CB-CG2 3.83Å; W105-V144 HydrophobicContact CD2-CG1 3.98Å; W105-V144 HydrophobicContact CE3-CG1 4.23Å; W105-V144 HydrophobicContact CG-CG1 3.93Å; W105-V144 HydrophobicContact CG-CG2 4.05Å; N139-V144 HydrophobicContact CB-CG2 4.33Å; N139-V144 VanDerWaalsContact OD1-CB 3.27Å; N139-V144 WeakPolarHBondContact OD1-CB 3.41Å; N139-V144 WeakPolarHBondContact OD1-CG2 3.08Å; V144-D146 PolarHBondContact O-N 3.18Å; V144-M149 HydrophobicContact CB-CG 4.38Å; V144-M149 HydrophobicContact CB-SD 3.81Å; V144-M149 HydrophobicContact CG1-CG 3.54Å; V144-M149 HydrophobicContact CG1-SD 3.63Å
145N94.6Very high90.7Very high30 Ų3066.6 Ų66.616%0.1635%0.352CS..  trans-63.6116.4177.7-175.7-86.1000112Y75 E98 T102 R147 L148 M149Y75-N145 HydrophobicContact CE2-CB 4.15Å; Y75-N145 VanDerWaalsContact OH-CB 3.31Å; Y75-N145 WeakPolarHBondContact OH-CB 3.36Å; Y75-N145 VanDerWaalsContact OH-CG 3.31Å; Y75-N145 PolarHBondContact OH-ND2 3.17Å; E98-N145 HydrophobicContact CG-CB 4.48Å; E98-N145 PolarHBondContact OE1-ND2 3.32Å; T102-N145 HydrophobicContact CG2-CB 4.18Å; T102-N145 PolarHBondContact OG1-N 3.18Å; N145-R147 VanDerWaalsContact C-N 3.32Å; N145-R147 PolarHBondContact O-N 3.17Å; N145-R147 WeakPolarHBondContact OD1-CB 3.25Å; N145-R147 PolarHBondContact OD1-N 2.74Å; N145-L148 HydrophobicContact CB-CB 4.18Å; N145-L148 PolarHBondContact O-N 3.05Å; N145-L148 PolarHBondContact OD1-N 3.03Å; N145-M149 WeakPolarHBondContact O-CG 3.35Å; N145-M149 PolarHBondContact O-N 3.49Å
146D92.6Very high90.4Very high122 Ų12267.3 Ų67.365%0.65237%0.367SS*.Hα-helixtrans-63-36.3-176.1-66.5-45.5000112.9V144 L148 M149 H150V144-D146 PolarHBondContact O-N 3.18Å; D146-L148 PolarHBondContact O-N 2.95Å; D146-M149 WeakPolarHBondContact O-CB 3.32Å; D146-M149 PolarHBondContact O-N 3.37Å; D146-H150 PolarHBondContact O-N 3.46Å
147R92.6Very high90.3Very high118 Ų11867.9 Ų67.945%0.44537%0.371SS..Hα-helixtrans-63.3-44.1178175.7179.1-104.6-129.61.8110.8I71 N145 M149 H150 K151 D194I71-R147 HydrophobicContact CD1-CG 4.22Å; N145-R147 VanDerWaalsContact C-N 3.32Å; N145-R147 PolarHBondContact O-N 3.17Å; N145-R147 WeakPolarHBondContact OD1-CB 3.25Å; N145-R147 PolarHBondContact OD1-N 2.74Å; R147-M149 VanDerWaalsContact C-N 3.34Å; R147-H150 PolarHBondContact O-N 2.8Å; R147-K151 HydrophobicContact CG-CD 4.45Å; R147-K151 WeakPolarHBondContact O-CG 3.38Å; R147-K151 PolarHBondContact O-N 3.01Å; R147-K151 VanDerWaalsContact O-N 3.11Å; R147-D194 IonicContact CZ-OD2 3.18Å; R147-D194 IonicContact NH2-OD1 3.74Å; R147-D194 PolarHBondContact NH2-OD1 3.12Å; R147-D194 IonicContact NH2-OD2 2.73Å; R147-D194 PolarHBondContact NH2-OD2 3.27Å
148L94.6Very high90.2Very high0 Ų067 Ų670%038%0.377CS..Hα-helixtrans-65.6-38.5175.2-179146.1000111.7I71 L72 T102 W105 A106 N145 D146 H150 K151 L152I71-L148 HydrophobicContact CB-CD1 4.08Å; I71-L148 HydrophobicContact CD1-CB 4.42Å; I71-L148 HydrophobicContact CG2-CB 4.24Å; I71-L148 HydrophobicContact CG2-CD1 3.68Å; L72-L148 HydrophobicContact CD1-CD1 4.4Å; L72-L148 HydrophobicContact CD2-CD1 3.55Å; L72-L148 HydrophobicContact CG-CD1 3.63Å; T102-L148 HydrophobicContact CG2-CB 4.41Å; T102-L148 HydrophobicContact CG2-CD1 3.69Å; T102-L148 HydrophobicContact CG2-CD2 3.8Å; T102-L148 HydrophobicContact CG2-CG 4.19Å; W105-L148 HydrophobicContact CE3-CD2 3.72Å; W105-L148 HydrophobicContact CZ3-CD2 3.5Å; W105-L148 VanDerWaalsContact CZ3-CD2 3.5Å; A106-L148 HydrophobicContact CB-CD2 4.49Å; N145-L148 HydrophobicContact CB-CB 4.18Å; N145-L148 PolarHBondContact O-N 3.05Å; N145-L148 PolarHBondContact OD1-N 3.03Å; D146-L148 PolarHBondContact O-N 2.95Å; L148-H150 VanDerWaalsContact C-N 3.34Å; L148-H150 PolarHBondContact O-N 2.84Å; L148-K151 PolarHBondContact O-N 3.27Å; L148-L152 HydrophobicContact CD2-CD1 3.82Å; L148-L152 HydrophobicContact CD2-CG 4.43Å; L148-L152 HydrophobicContact CG-CD1 4.3Å; L148-L152 PolarHBondContact O-N 3.31Å
149M92.9Very high90.2Very high47 Ų4770.6 Ų70.623%0.23239%0.386CS..Hα-helixtrans-61.7-43.3176.8-72-173.951.300112.5W105 N139 V144 N145 D146 R147 L152 S153W105-M149 HydrophobicContact CD2-CG 4.3Å; W105-M149 HydrophobicContact CE3-CG 4.33Å; W105-M149 HydrophobicContact CH2-CB 4Å; W105-M149 HydrophobicContact CH2-CG 3.74Å; W105-M149 HydrophobicContact CZ2-CB 4.14Å; W105-M149 HydrophobicContact CZ2-CE 4.01Å; W105-M149 HydrophobicContact CZ2-CG 3.64Å; W105-M149 HydrophobicContact CZ2-SD 4.33Å; W105-M149 HydrophobicContact CZ3-CG 4.08Å; N139-M149 HydrophobicContact CB-CE 4.11Å; N139-M149 HydrophobicContact CB-SD 4.16Å; N139-M149 VanDerWaalsContact CG-SD 3.59Å; N139-M149 WeakPolarHBondContact ND2-CE 3.34Å; N139-M149 PolarHBondContact ND2-SD 3.48Å; V144-M149 HydrophobicContact CB-CG 4.38Å; V144-M149 HydrophobicContact CB-SD 3.81Å; V144-M149 HydrophobicContact CG1-CG 3.54Å; V144-M149 HydrophobicContact CG1-SD 3.63Å; N145-M149 WeakPolarHBondContact O-CG 3.35Å; N145-M149 PolarHBondContact O-N 3.49Å; D146-M149 WeakPolarHBondContact O-CB 3.32Å; D146-M149 PolarHBondContact O-N 3.37Å; R147-M149 VanDerWaalsContact C-N 3.34Å; M149-L152 PolarHBondContact O-N 3.03Å; M149-S153 PolarHBondContact O-N 2.86Å
150H91.6Very high90.3Very high114 Ų11470.8 Ų70.853%0.52839%0.386SS..Hα-helixtrans-61.6-45.8175.7-178.9-90.7000111.2D146 R147 L148 L152 S153D146-H150 PolarHBondContact O-N 3.46Å; R147-H150 PolarHBondContact O-N 2.8Å; L148-H150 VanDerWaalsContact C-N 3.34Å; L148-H150 PolarHBondContact O-N 2.84Å; H150-L152 PolarHBondContact O-N 2.97Å; H150-S153 VanDerWaalsContact O-CB 3.29Å; H150-S153 WeakPolarHBondContact O-CB 3.49Å; H150-S153 PolarHBondContact O-N 3.09Å; H150-S153 PolarHBondContact O-OG 3.19Å
151K92.6Very high90.6Very high20 Ų2065.8 Ų65.89%0.08736%0.364CS..Hα-helixtrans-65.2-34.3179.8-70.6-179.3-178.8-59.30114Y64 E67 A68 I71 R147 L148Y64-K151 HydrophobicContact CD1-CG 4Å; E67-K151 HydrophobicContact CB-CD 3.79Å; E67-K151 IonicContact OE1-NZ 3.7Å; E67-K151 PolarHBondContact OE1-NZ 2.97Å; E67-K151 VanDerWaalsContact OE2-CE 3.26Å; E67-K151 WeakPolarHBondContact OE2-CE 3.41Å; E67-K151 IonicContact OE2-NZ 2.71Å; E67-K151 PolarHBondContact OE2-NZ 3.39Å; A68-K151 HydrophobicContact CB-CB 4.17Å; I71-K151 HydrophobicContact CD1-CD 4.16Å; R147-K151 HydrophobicContact CG-CD 4.45Å; R147-K151 WeakPolarHBondContact O-CG 3.38Å; R147-K151 PolarHBondContact O-N 3.01Å; R147-K151 VanDerWaalsContact O-N 3.11Å; L148-K151 PolarHBondContact O-N 3.27Å
152L91.8Very high91.1Very high24 Ų2463.2 Ų63.213%0.12635%0.351CS..THydrogen-bonded Turntrans-91.35.5176.1-68-175000113.6L65 A68 W105 A106 L110 L148 M149 H150L65-L152 HydrophobicContact CD1-CD2 3.86Å; A68-L152 HydrophobicContact CB-CD1 4.37Å; A68-L152 HydrophobicContact CB-CD2 3.6Å; A68-L152 HydrophobicContact CB-CG 3.77Å; W105-L152 HydrophobicContact CH2-CB 4.1Å; W105-L152 HydrophobicContact CZ3-CB 4.01Å; W105-L152 HydrophobicContact CZ3-CD1 3.97Å; A106-L152 HydrophobicContact CB-CD1 4.32Å; L110-L152 HydrophobicContact CD1-CD1 4.48Å; L110-L152 HydrophobicContact CD2-CD2 4.16Å; L110-L152 HydrophobicContact CG-CD1 4.43Å; L148-L152 HydrophobicContact CD2-CD1 3.82Å; L148-L152 HydrophobicContact CD2-CG 4.43Å; L148-L152 HydrophobicContact CG-CD1 4.3Å; L148-L152 PolarHBondContact O-N 3.31Å; M149-L152 PolarHBondContact O-N 3.03Å; H150-L152 PolarHBondContact O-N 2.97Å
153S88.6Confident91.3Very high47 Ų4760.7 Ų60.733%0.32932%0.323SS..  trans-67.8148.2173.775.70000110.5M149 H150 E155M149-S153 PolarHBondContact O-N 2.86Å; H150-S153 VanDerWaalsContact O-CB 3.29Å; H150-S153 WeakPolarHBondContact O-CB 3.49Å; H150-S153 PolarHBondContact O-N 3.09Å; H150-S153 PolarHBondContact O-OG 3.19Å; S153-E155 PolarHBondContact O-N 3.4Å
154V84.8Confident91.4Very high140 Ų14062.3 Ų62.385%0.84832%0.324SS*.  trans-9114.3179.7-164.80000110.7
155E88.1Confident91.5Very high148 Ų14863 Ų6369%0.69233%0.326SS*.PPolyproline II helixtrans-72.1146.3-178.2-64.8-172.2177.400111S153S153-E155 PolarHBondContact O-N 3.4Å
156A86.8Confident91.5Very high82 Ų8261.6 Ų61.668%0.67832%0.319SS*.PPolyproline II helixtrans-66.3133177.300000109.3
157P90.3Very high91.6Very high12 Ų1258.5 Ų58.58%0.07830%0.302CS..PPolyproline II helixtrans-55.7141.6174.4-24.634000110.9I60 R61 K159 L161 V162I60-P157 HydrophobicContact CB-CG 4.19Å; I60-P157 HydrophobicContact CD1-CB 4.28Å; I60-P157 HydrophobicContact CG2-CB 3.96Å; I60-P157 HydrophobicContact CG2-CG 3.81Å; R61-P157 HydrophobicContact CG-CG 4.42Å; P157-K159 PolarHBondContact O-N 2.73Å; P157-L161 HydrophobicContact CB-CD2 4.49Å; P157-V162 HydrophobicContact CB-CG2 4.39Å
158P90.4Very high91.7Very high73 Ų7356.3 Ų56.347%0.47430%0.296SS..PPolyproline II helixtrans-63.3140.5178.826.5-33.5000110I160 L161 V162P158-I160 HydrophobicContact CB-CG2 4.19Å; P158-I160 PolarHBondContact O-N 2.84Å; P158-I160 VanDerWaalsContact O-N 3.09Å; P158-L161 HydrophobicContact CG-CB 3.89Å; P158-L161 WeakPolarHBondContact O-CA 3.25Å; P158-L161 WeakPolarHBondContact O-CB 3.45Å; P158-L161 PolarHBondContact O-N 2.93Å; P158-V162 PolarHBondContact O-N 3.2Å
159K90.1Very high91.7Very high159 Ų15956.6 Ų56.669%0.69130%0.298SS*.Hα-helixtrans-55.8-32.7-175.1-64.5-174.5178.3-176.90113.2P157 L161 V162 E163 V183P157-K159 PolarHBondContact O-N 2.73Å; K159-L161 VanDerWaalsContact C-N 3.3Å; K159-L161 PolarHBondContact O-N 3.2Å; K159-V162 WeakPolarHBondContact O-CB 3.5Å; K159-V162 PolarHBondContact O-N 3.32Å; K159-E163 WeakPolarHBondContact O-CG 3.19Å; K159-E163 PolarHBondContact O-N 3.12Å; K159-V183 HydrophobicContact CB-CG1 3.82Å; K159-V183 HydrophobicContact CB-CG2 4.49Å
160I91.5Very high91.7Very high39 Ų3954.6 Ų54.620%0.229%0.289CS..Hα-helixtrans-62.9-35.4175-172.856.7000112.8P158 R164 V183 M184 A187P158-I160 HydrophobicContact CB-CG2 4.19Å; P158-I160 PolarHBondContact O-N 2.84Å; P158-I160 VanDerWaalsContact O-N 3.09Å; I160-R164 WeakPolarHBondContact O-CB 3.36Å; I160-R164 VanDerWaalsContact O-CG 3.26Å; I160-R164 WeakPolarHBondContact O-CG 3.44Å; I160-R164 PolarHBondContact O-N 2.98Å; I160-V183 HydrophobicContact CB-CG1 4.43Å; I160-M184 HydrophobicContact CD1-SD 3.59Å; I160-M184 VanDerWaalsContact CD1-SD 3.59Å; I160-A187 HydrophobicContact CD1-CB 3.67Å; I160-A187 HydrophobicContact CG1-CB 3.82Å
161L92.1Very high91.9Very high36 Ų3656.9 Ų56.919%0.18830%0.297CS..Hα-helixtrans-71-38.8176.6-176.364000110.8I60 Y64 P157 P158 K159 R164 Y165I60-L161 HydrophobicContact CD1-CG 4.28Å; I60-L161 HydrophobicContact CG2-CD2 3.87Å; Y64-L161 HydrophobicContact CE2-CD2 4.45Å; Y64-L161 VanDerWaalsContact OH-CD2 3.3Å; Y64-L161 WeakPolarHBondContact OH-CD2 3.42Å; P157-L161 HydrophobicContact CB-CD2 4.49Å; P158-L161 HydrophobicContact CG-CB 3.89Å; P158-L161 WeakPolarHBondContact O-CA 3.25Å; P158-L161 WeakPolarHBondContact O-CB 3.45Å; P158-L161 PolarHBondContact O-N 2.93Å; K159-L161 VanDerWaalsContact C-N 3.3Å; K159-L161 PolarHBondContact O-N 3.2Å; L161-R164 PolarHBondContact O-N 3.41Å; L161-Y165 HydrophobicContact CD1-CD2 4Å; L161-Y165 HydrophobicContact CD1-CE2 4.03Å; L161-Y165 HydrophobicContact CG-CD2 4.16Å; L161-Y165 HydrophobicContact CG-CE2 4.33Å; L161-Y165 WeakPolarHBondContact O-CB 3.34Å; L161-Y165 WeakPolarHBondContact O-CD2 3.5Å; L161-Y165 PolarHBondContact O-N 3.26Å
162V93.8Very high92Very high5 Ų560.4 Ų60.43%0.0332%0.317CS..Hα-helixtrans-57.6-51.3173.2163.70000111.1R53 V56 E57 I60 P157 P158 K159 Y165 L166R53-V162 HydrophobicContact CB-CG1 4.3Å; R53-V162 HydrophobicContact CG-CG1 4.21Å; V56-V162 HydrophobicContact CG1-CB 4.19Å; V56-V162 HydrophobicContact CG1-CG1 3.58Å; V56-V162 HydrophobicContact CG1-CG2 4.3Å; E57-V162 HydrophobicContact CG-CG2 3.66Å; I60-V162 HydrophobicContact CD1-CG2 3.87Å; P157-V162 HydrophobicContact CB-CG2 4.39Å; P158-V162 PolarHBondContact O-N 3.2Å; K159-V162 WeakPolarHBondContact O-CB 3.5Å; K159-V162 PolarHBondContact O-N 3.32Å; V162-Y165 PolarHBondContact O-N 3.28Å; V162-L166 HydrophobicContact CG1-CD1 4.31Å; V162-L166 WeakPolarHBondContact O-CG 3.29Å; V162-L166 PolarHBondContact O-N 2.85Å
163E93.1Very high92.2Very high4 Ų463.9 Ų63.92%0.01933%0.329CS..Hα-helixtrans-63.8-42.3179.4-67.1-70.8141.300111.5R53 K159 Y165 L166 I167 Y177 P179 D180 V183 M184R53-E163 IonicContact CZ-OE1 3.67Å; R53-E163 IonicContact NE-OE1 3.52Å; R53-E163 PolarHBondContact NE-OE1 3.08Å; R53-E163 IonicContact NH2-OE1 2.92Å; K159-E163 WeakPolarHBondContact O-CG 3.19Å; K159-E163 PolarHBondContact O-N 3.12Å; E163-Y165 PolarHBondContact O-N 3.18Å; E163-L166 PolarHBondContact O-N 3.06Å; E163-I167 VanDerWaalsContact O-CG1 3.25Å; E163-I167 WeakPolarHBondContact O-CG1 3.41Å; E163-I167 PolarHBondContact O-N 3.21Å; E163-Y177 PolarHBondContact OE1-OH 3.02Å; E163-Y177 PolarHBondContact OE2-OH 3.41Å; E163-P179 WeakPolarHBondContact OE2-CA 3.33Å; E163-D180 PolarHBondContact OE2-N 3.09Å; E163-V183 HydrophobicContact CG-CB 4.23Å; E163-V183 HydrophobicContact CG-CG1 3.84Å; E163-M184 HydrophobicContact CB-SD 4.13Å
164R93.3Very high92.5Very high84 Ų8468.8 Ų68.832%0.31735%0.351SS..Hα-helixtrans-58.3-45.7174.1-75.5176.5-175.1-168.22.2112.4I160 L161 L166 I167 E168I160-R164 WeakPolarHBondContact O-CB 3.36Å; I160-R164 VanDerWaalsContact O-CG 3.26Å; I160-R164 WeakPolarHBondContact O-CG 3.44Å; I160-R164 PolarHBondContact O-N 2.98Å; L161-R164 PolarHBondContact O-N 3.41Å; R164-L166 VanDerWaalsContact C-N 3.34Å; R164-L166 PolarHBondContact O-N 2.85Å; R164-I167 PolarHBondContact O-N 3.09Å; R164-E168 WeakPolarHBondContact O-CG 3.47Å; R164-E168 PolarHBondContact O-N 3.02Å
165Y95.1Very high92.9Very high20 Ų2063.2 Ų63.28%0.07832%0.318CS..Hα-helixtrans-60.5-42.3176.2-103.9-105.3000112.1V56 I59 I60 D63 L161 V162 E163 E168 I169V56-Y165 HydrophobicContact CG2-CD1 3.96Å; V56-Y165 HydrophobicContact CG2-CG 4.2Å; I59-Y165 HydrophobicContact CG2-CE1 4.49Å; I60-Y165 HydrophobicContact CD1-CD1 4.47Å; I60-Y165 HydrophobicContact CD1-CD2 4.01Å; I60-Y165 HydrophobicContact CD1-CE2 4.48Å; I60-Y165 HydrophobicContact CD1-CG 4.01Å; I60-Y165 HydrophobicContact CG1-CD1 3.81Å; I60-Y165 HydrophobicContact CG1-CD2 3.8Å; I60-Y165 HydrophobicContact CG1-CE1 3.85Å; I60-Y165 HydrophobicContact CG1-CE2 3.86Å; I60-Y165 HydrophobicContact CG1-CG 3.77Å; D63-Y165 VanDerWaalsContact OD2-CE1 3.3Å; D63-Y165 WeakPolarHBondContact OD2-CE1 3.47Å; D63-Y165 PolarHBondContact OD2-OH 2.95Å; L161-Y165 HydrophobicContact CD1-CD2 4Å; L161-Y165 HydrophobicContact CD1-CE2 4.03Å; L161-Y165 HydrophobicContact CG-CD2 4.16Å; L161-Y165 HydrophobicContact CG-CE2 4.33Å; L161-Y165 WeakPolarHBondContact O-CB 3.34Å; L161-Y165 WeakPolarHBondContact O-CD2 3.5Å; L161-Y165 PolarHBondContact O-N 3.26Å; V162-Y165 PolarHBondContact O-N 3.28Å; E163-Y165 PolarHBondContact O-N 3.18Å; Y165-E168 PolarHBondContact O-N 3.3Å; Y165-I169 VanDerWaalsContact O-CG1 3.25Å; Y165-I169 WeakPolarHBondContact O-CG1 3.49Å; Y165-I169 PolarHBondContact O-N 3.49Å
166L94.9Very high93.1Very high0 Ų061.8 Ų61.80%032%0.322CS..Hα-helixtrans-65.4-40.9177.7-69.6173.6000112I40 L44 A52 R53 V56 V162 E163 R164 E168 I169 A170 Y177I40-L166 HydrophobicContact CG2-CD2 3.73Å; L44-L166 HydrophobicContact CD1-CD2 4.42Å; L44-L166 HydrophobicContact CD2-CD2 4.45Å; A52-L166 HydrophobicContact CB-CD2 4.03Å; R53-L166 HydrophobicContact CB-CD1 4.43Å; R53-L166 HydrophobicContact CG-CD1 3.56Å; V56-L166 HydrophobicContact CB-CD2 3.97Å; V56-L166 HydrophobicContact CB-CG 4.41Å; V56-L166 HydrophobicContact CG1-CD1 4.38Å; V56-L166 HydrophobicContact CG1-CD2 4.06Å; V56-L166 HydrophobicContact CG1-CG 4.01Å; V56-L166 HydrophobicContact CG2-CD2 4.23Å; V162-L166 HydrophobicContact CG1-CD1 4.31Å; V162-L166 WeakPolarHBondContact O-CG 3.29Å; V162-L166 PolarHBondContact O-N 2.85Å; E163-L166 PolarHBondContact O-N 3.06Å; R164-L166 VanDerWaalsContact C-N 3.34Å; R164-L166 PolarHBondContact O-N 2.85Å; L166-E168 VanDerWaalsContact C-N 3.35Å; L166-E168 PolarHBondContact O-N 2.94Å; L166-I169 PolarHBondContact O-N 3.42Å; L166-A170 WeakPolarHBondContact O-CB 3.42Å; L166-A170 PolarHBondContact O-N 2.97Å; L166-Y177 HydrophobicContact CB-CD1 4.13Å; L166-Y177 HydrophobicContact CB-CE1 3.49Å; L166-Y177 VanDerWaalsContact CB-CE1 3.49Å; L166-Y177 HydrophobicContact CB-CE2 4.48Å; L166-Y177 HydrophobicContact CD1-CE1 4.43Å; L166-Y177 HydrophobicContact CD1-CE2 4.37Å; L166-Y177 WeakPolarHBondContact CD1-OH 3.44Å
167I93.9Very high93.3Very high57 Ų5759.4 Ų59.429%0.29230%0.295SS..Hα-helixtrans-59.2-46.3174.7-66.8162.5000110.6E163 R164 A170 K171 Y177 P179 M184E163-I167 VanDerWaalsContact O-CG1 3.25Å; E163-I167 WeakPolarHBondContact O-CG1 3.41Å; E163-I167 PolarHBondContact O-N 3.21Å; R164-I167 PolarHBondContact O-N 3.09Å; I167-A170 PolarHBondContact O-N 3.44Å; I167-K171 VanDerWaalsContact O-CB 3.29Å; I167-K171 WeakPolarHBondContact O-CB 3.41Å; I167-K171 PolarHBondContact O-N 3.44Å; I167-Y177 HydrophobicContact CG1-CD1 4.17Å; I167-Y177 HydrophobicContact CG1-CE1 4.13Å; I167-P179 HydrophobicContact CD1-CB 3.9Å; I167-P179 HydrophobicContact CD1-CG 4.11Å; I167-P179 HydrophobicContact CG1-CB 4.08Å; I167-P179 HydrophobicContact CG1-CG 4.34Å; I167-M184 HydrophobicContact CD1-CE 3.81Å; I167-M184 HydrophobicContact CD1-SD 4.15Å
168E94.7Very high93.3Very high72 Ų7267 Ų6734%0.33633%0.33SS..Hα-helixtrans-65.5-43.4179.7-73.7-179-174.500112.5R164 Y165 L166 K171 N172R164-E168 WeakPolarHBondContact O-CG 3.47Å; R164-E168 PolarHBondContact O-N 3.02Å; Y165-E168 PolarHBondContact O-N 3.3Å; L166-E168 VanDerWaalsContact C-N 3.35Å; L166-E168 PolarHBondContact O-N 2.94Å; E168-K171 PolarHBondContact O-N 3.34Å; E168-N172 WeakPolarHBondContact O-CB 3.39Å; E168-N172 VanDerWaalsContact O-CG 3.23Å; E168-N172 PolarHBondContact O-N 2.86Å; E168-N172 PolarHBondContact O-ND2 3.3Å
169I94.8Very high93.1Very high6 Ų665.8 Ų65.83%0.03132%0.322CS..Hα-helixtrans-63.2-48.2175.9-66.9167.1000110.1R37 I40 A41 V56 Y165 L166 K171 N172 Y173R37-I169 HydrophobicContact CB-CD1 4.38Å; R37-I169 HydrophobicContact CB-CG1 4.44Å; R37-I169 HydrophobicContact CG-CD1 4.06Å; R37-I169 HydrophobicContact CG-CG1 4.32Å; I40-I169 HydrophobicContact CB-CD1 4.41Å; I40-I169 HydrophobicContact CB-CG2 4.32Å; I40-I169 HydrophobicContact CD1-CD1 3.98Å; I40-I169 HydrophobicContact CG2-CD1 4.07Å; I40-I169 HydrophobicContact CG2-CG2 3.99Å; A41-I169 HydrophobicContact CB-CG2 4.24Å; V56-I169 HydrophobicContact CG2-CD1 3.95Å; Y165-I169 VanDerWaalsContact O-CG1 3.25Å; Y165-I169 WeakPolarHBondContact O-CG1 3.49Å; Y165-I169 PolarHBondContact O-N 3.49Å; L166-I169 PolarHBondContact O-N 3.42Å; I169-K171 VanDerWaalsContact C-N 3.29Å; I169-K171 PolarHBondContact O-N 2.9Å; I169-N172 PolarHBondContact O-N 2.99Å; I169-Y173 HydrophobicContact CG2-CD2 3.91Å; I169-Y173 HydrophobicContact CG2-CE2 4.21Å; I169-Y173 WeakPolarHBondContact O-CD2 3.43Å; I169-Y173 PolarHBondContact O-N 3.21Å
170A94.4Very high92.8Very high5 Ų561.3 Ų61.34%0.04131%0.305CS..Hα-helixtrans-57.5-43.6178.500000111.6L44 L166 I167 N174 V175 Y177L44-A170 HydrophobicContact CD1-CB 4.02Å; L166-A170 WeakPolarHBondContact O-CB 3.42Å; L166-A170 PolarHBondContact O-N 2.97Å; I167-A170 PolarHBondContact O-N 3.44Å; A170-N174 WeakPolarHBondContact O-CA 3.22Å; A170-N174 PolarHBondContact O-N 3.24Å; A170-V175 WeakPolarHBondContact CB-O 3.45Å; A170-V175 PolarHBondContact O-N 3.3Å; A170-Y177 VanDerWaalsContact CB-CB 3.49Å; A170-Y177 HydrophobicContact CB-CD1 4.44Å; A170-Y177 HydrophobicContact CB-CG 4.25Å
171K94.9Very high92.2Very high161 Ų16163.9 Ų63.970%0.733%0.327SS*.Hα-helixtrans-62.7-45.1176.1-174.4-179.7177.3-174.20112.3I167 E168 I169 Y173 N174I167-K171 VanDerWaalsContact O-CB 3.29Å; I167-K171 WeakPolarHBondContact O-CB 3.41Å; I167-K171 PolarHBondContact O-N 3.44Å; E168-K171 PolarHBondContact O-N 3.34Å; I169-K171 VanDerWaalsContact C-N 3.29Å; I169-K171 PolarHBondContact O-N 2.9Å; K171-Y173 PolarHBondContact O-N 3.25Å; K171-N174 PolarHBondContact O-N 2.98Å
172N95.1Very high91.6Very high95 Ų9566.6 Ų66.651%0.50834%0.344SS..Hα-helixtrans-68.3-32.6-177.4-74.7-13000113.3E168 I169E168-N172 WeakPolarHBondContact O-CB 3.39Å; E168-N172 VanDerWaalsContact O-CG 3.23Å; E168-N172 PolarHBondContact O-N 2.86Å; E168-N172 PolarHBondContact O-ND2 3.3Å; I169-N172 PolarHBondContact O-N 2.99Å
173Y95.2Very high91Very high97 Ų9767.2 Ų67.238%0.3835%0.349SS..THydrogen-bonded Turntrans-99.56.3178.1-69.1-87000113.5R37 K38 A41 I169 K171 V175R37-Y173 HydrophobicContact CB-CE2 4.41Å; K38-Y173 HydrophobicContact CB-CE1 4.04Å; K38-Y173 HydrophobicContact CG-CE1 4Å; A41-Y173 HydrophobicContact CB-CD1 4.06Å; A41-Y173 HydrophobicContact CB-CD2 3.68Å; A41-Y173 HydrophobicContact CB-CE2 4.38Å; A41-Y173 HydrophobicContact CB-CG 3.49Å; A41-Y173 VanDerWaalsContact CB-CG 3.49Å; I169-Y173 HydrophobicContact CG2-CD2 3.91Å; I169-Y173 HydrophobicContact CG2-CE2 4.21Å; I169-Y173 WeakPolarHBondContact O-CD2 3.43Å; I169-Y173 PolarHBondContact O-N 3.21Å; K171-Y173 PolarHBondContact O-N 3.25Å; Y173-V175 VanDerWaalsContact C-N 3.29Å; Y173-V175 PolarHBondContact O-N 3.3Å
174N94.5Very high90.4Very high149 Ų14970.4 Ų70.480%0.79736%0.364SS*.THydrogen-bonded Turntrans54.739.1-179.1-57.3108000114.2A170 K171A170-N174 WeakPolarHBondContact O-CA 3.22Å; A170-N174 PolarHBondContact O-N 3.24Å; K171-N174 PolarHBondContact O-N 2.98Å
175V95.1Very high89.4Confident24 Ų2470.5 Ų70.515%0.14538%0.383CS..  trans-99.3135.2177.7-177.70000109.2A41 L44 A45 A170 Y173 Y177A41-V175 HydrophobicContact CB-CG2 4.32Å; L44-V175 HydrophobicContact CB-CG1 3.78Å; A45-V175 HydrophobicContact CB-CG1 3.94Å; A45-V175 HydrophobicContact CB-CG2 4.38Å; A170-V175 WeakPolarHBondContact CB-O 3.45Å; A170-V175 PolarHBondContact O-N 3.3Å; Y173-V175 VanDerWaalsContact C-N 3.29Å; Y173-V175 PolarHBondContact O-N 3.3Å; V175-Y177 PolarHBondContact O-N 3.12Å
176P91Very high88.1Confident118 Ų11877 Ų7777%0.76641%0.414SS*.  trans-67129.7173.428.2-33.7000110
177Y92.1Very high86.2Confident32 Ų3278.2 Ų78.213%0.12542%0.424CS..  trans-142.7130.9176175.7-114.8000109.5L44 E163 L166 I167 A170 V175 P179L44-Y177 HydrophobicContact CD1-CD2 4.47Å; L44-Y177 HydrophobicContact CD1-CG 4.48Å; L44-Y177 HydrophobicContact CD2-CD2 3.58Å; L44-Y177 HydrophobicContact CD2-CE2 3.85Å; L44-Y177 HydrophobicContact CD2-CG 4.36Å; E163-Y177 PolarHBondContact OE1-OH 3.02Å; E163-Y177 PolarHBondContact OE2-OH 3.41Å; L166-Y177 HydrophobicContact CB-CD1 4.13Å; L166-Y177 HydrophobicContact CB-CE1 3.49Å; L166-Y177 VanDerWaalsContact CB-CE1 3.49Å; L166-Y177 HydrophobicContact CB-CE2 4.48Å; L166-Y177 HydrophobicContact CD1-CE1 4.43Å; L166-Y177 HydrophobicContact CD1-CE2 4.37Å; L166-Y177 WeakPolarHBondContact CD1-OH 3.44Å; I167-Y177 HydrophobicContact CG1-CD1 4.17Å; I167-Y177 HydrophobicContact CG1-CE1 4.13Å; A170-Y177 VanDerWaalsContact CB-CB 3.49Å; A170-Y177 HydrophobicContact CB-CD1 4.44Å; A170-Y177 HydrophobicContact CB-CG 4.25Å; V175-Y177 PolarHBondContact O-N 3.12Å; Y177-P179 HydrophobicContact CE1-CB 4.06Å
178E89.5Confident84.1Confident172 Ų17280.6 Ų80.680%0.80444%0.443SS*.  trans-104.9112.7174.3-68.3-171.8168.300108.9
179P86.5Confident82Confident47 Ų4782.8 Ų82.831%0.30547%0.474SS..  trans-72.4156.5179.930-34.4000111.7E163 I167 Y177 S181 M184E163-P179 WeakPolarHBondContact OE2-CA 3.33Å; I167-P179 HydrophobicContact CD1-CB 3.9Å; I167-P179 HydrophobicContact CD1-CG 4.11Å; I167-P179 HydrophobicContact CG1-CB 4.08Å; I167-P179 HydrophobicContact CG1-CG 4.34Å; Y177-P179 HydrophobicContact CE1-CB 4.06Å; P179-S181 PolarHBondContact O-N 3.21Å; P179-S181 VanDerWaalsContact O-N 3.09Å; P179-M184 HydrophobicContact CB-CG 4.05Å; P179-M184 HydrophobicContact CG-CG 4.43Å
180D83.3Confident79.6Confident64 Ų6486.1 Ų86.134%0.34251%0.509SS..  trans-67112176.6-171.3-20.7000110.6E163 V182 V183 M184E163-D180 PolarHBondContact OE2-N 3.09Å; D180-V182 PolarHBondContact O-N 3.22Å; D180-V182 PolarHBondContact OD1-N 3.45Å; D180-V183 HydrophobicContact CB-CB 4.18Å; D180-V183 HydrophobicContact CB-CG2 4Å; D180-V183 PolarHBondContact O-N 3.07Å; D180-M184 WeakPolarHBondContact O-CG 3.19Å; D180-M184 PolarHBondContact O-N 3.32Å
181S78.9Confident77.2Confident94 Ų9488 Ų8866%0.65753%0.53SS*.Hα-helixtrans-62.3-29.3-175.9-54.80000112.9P179 A185P179-S181 PolarHBondContact O-N 3.21Å; P179-S181 VanDerWaalsContact O-N 3.09Å; S181-A185 VanDerWaalsContact O-CB 3.22Å; S181-A185 WeakPolarHBondContact O-CB 3.38Å; S181-A185 PolarHBondContact O-N 3.46Å
182V80.4Confident75.1Confident92 Ų9289.8 Ų89.856%0.55854%0.54SS*.Hα-helixtrans-72.2-45.9178.9-178.90000109.8D180 M184 A185 E186D180-V182 PolarHBondContact O-N 3.22Å; D180-V182 PolarHBondContact OD1-N 3.45Å; V182-M184 VanDerWaalsContact C-N 3.33Å; V182-M184 PolarHBondContact O-N 3.29Å; V182-A185 PolarHBondContact O-N 3.34Å; V182-E186 WeakPolarHBondContact O-CG 3.42Å; V182-E186 PolarHBondContact O-N 3Å; V182-E186 VanDerWaalsContact O-N 3.12Å
183V79.9Confident72.9Confident19 Ų1988.2 Ų88.212%0.11554%0.541CS..Hα-helixtrans-65.5-38178.4179.50000111.3K159 I160 E163 D180K159-V183 HydrophobicContact CB-CG1 3.82Å; K159-V183 HydrophobicContact CB-CG2 4.49Å; I160-V183 HydrophobicContact CB-CG1 4.43Å; E163-V183 HydrophobicContact CG-CB 4.23Å; E163-V183 HydrophobicContact CG-CG1 3.84Å; D180-V183 HydrophobicContact CB-CB 4.18Å; D180-V183 HydrophobicContact CB-CG2 4Å; D180-V183 PolarHBondContact O-N 3.07Å
184M80.5Confident70.9Confident71 Ų7189.5 Ų89.535%0.3555%0.554SS.*Hα-helixtrans-71.6-30.1177.3-66.3-61.9-72.500113I160 E163 I167 P179 D180 V182I160-M184 HydrophobicContact CD1-SD 3.59Å; I160-M184 VanDerWaalsContact CD1-SD 3.59Å; E163-M184 HydrophobicContact CB-SD 4.13Å; I167-M184 HydrophobicContact CD1-CE 3.81Å; I167-M184 HydrophobicContact CD1-SD 4.15Å; P179-M184 HydrophobicContact CB-CG 4.05Å; P179-M184 HydrophobicContact CG-CG 4.43Å; D180-M184 WeakPolarHBondContact O-CG 3.19Å; D180-M184 PolarHBondContact O-N 3.32Å; V182-M184 VanDerWaalsContact C-N 3.33Å; V182-M184 PolarHBondContact O-N 3.29Å
185A73.6Confident69.1Low85 Ų8588.7 Ų88.770%0.70255%0.549SS*.Hα-helixtrans-78.1-26.6177.500000113.5S181 V182 A187S181-A185 VanDerWaalsContact O-CB 3.22Å; S181-A185 WeakPolarHBondContact O-CB 3.38Å; S181-A185 PolarHBondContact O-N 3.46Å; V182-A185 PolarHBondContact O-N 3.34Å; A185-A187 VanDerWaalsContact C-N 3.28Å
186E66.2Low66.9Low157 Ų15789.6 Ų89.673%0.73455%0.552SS**SBendtrans-79.6-6.5175.9-71.9-178.1166.200113.5V182 P188V182-E186 WeakPolarHBondContact O-CG 3.42Å; V182-E186 PolarHBondContact O-N 3Å; V182-E186 VanDerWaalsContact O-N 3.12Å; E186-P188 WeakPolarHBondContact O-CD 3.45Å
187A56.3Low64.9Low25 Ų2590.2 Ų90.221%0.20755%0.549CS..SBendtrans-69.8122.217700000110.8I160 A185 A189I160-A187 HydrophobicContact CD1-CB 3.67Å; I160-A187 HydrophobicContact CG1-CB 3.82Å; A185-A187 VanDerWaalsContact C-N 3.28Å; A187-A189 PolarHBondContact O-N 3.2Å
188P50.1Low62.8Low108 Ų10890.9 Ų90.970%0.70156%0.557SS**  trans-63.1124.2177.124.3-31.4000109.7E186 G190E186-P188 WeakPolarHBondContact O-CD 3.45Å; P188-G190 PolarHBondContact O-N 3.17Å
189A49.4Very low60.7Low118 Ų11886 Ų8698%0.97555%0.552SS**THydrogen-bonded Turntrans-69.224-173.300000115.4A187A187-A189 PolarHBondContact O-N 3.2Å
190G45.1Very low59Low76 Ų7690 Ų9078%0.78457%0.565SS**THydrogen-bonded Turntrans-156.113.4-169.900000117.6P188P188-G190 PolarHBondContact O-N 3.17Å
191G43.4Very low57Low45 Ų4592.7 Ų92.746%0.46458%0.584SS.*  trans-115.1108.8173.600000110.5A193G191-A193 PolarHBondContact O-N 3.13Å
192E50.1Low55.3Low197 Ų19795.1 Ų95.192%0.92159%0.59SS**  trans-61.487.2157.4-63.8-155.616400107.4D194E192-D194 PolarHBondContact O-N 3.39Å; E192-D194 VanDerWaalsContact O-N 3.1Å
193A50.3Low53.8Low63 Ų6398.5 Ų98.552%0.52161%0.605SS.*  trans-63.8109.7163.800000105.4G191 L195G191-A193 PolarHBondContact O-N 3.13Å; A193-L195 PolarHBondContact O-N 3.05Å
194D51.7Low52.1Low123 Ų123103.4 Ų103.466%0.65863%0.634SS**  trans-18.591.6173.4-97.7-22.7000111.1R147 E192 I196R147-D194 IonicContact CZ-OD2 3.18Å; R147-D194 IonicContact NH2-OD1 3.74Å; R147-D194 PolarHBondContact NH2-OD1 3.12Å; R147-D194 IonicContact NH2-OD2 2.73Å; R147-D194 PolarHBondContact NH2-OD2 3.27Å; E192-D194 PolarHBondContact O-N 3.39Å; E192-D194 VanDerWaalsContact O-N 3.1Å; D194-I196 PolarHBondContact O-N 3.49Å; D194-I196 VanDerWaalsContact O-N 3.13Å
195L56.7Low50.8Low133 Ų133110.1 Ų110.170%0.69666%0.662SS**  trans-64.7115.8169-79.8160.4000105A193 D197A193-L195 PolarHBondContact O-N 3.05Å; L195-D197 PolarHBondContact O-N 3.24Å
196I50.5Low49.2Very low42 Ų42115.3 Ų115.322%0.21567%0.668CS.*  trans-59120.9163.4-54.5162.7000104.6Y64 E67 D194 V198Y64-I196 HydrophobicContact CD1-CD1 4.15Å; Y64-I196 HydrophobicContact CE1-CD1 3.92Å; E67-I196 VanDerWaalsContact CD-CG2 3.49Å; E67-I196 HydrophobicContact CG-CG2 4.19Å; E67-I196 WeakPolarHBondContact OE1-CD1 3.4Å; E67-I196 VanDerWaalsContact OE1-CG1 3.25Å; E67-I196 WeakPolarHBondContact OE1-CG1 3.4Å; D194-I196 PolarHBondContact O-N 3.49Å; D194-I196 VanDerWaalsContact O-N 3.13Å; I196-V198 VanDerWaalsContact O-CG2 3.29Å; I196-V198 WeakPolarHBondContact O-CG2 3.5Å; I196-V198 PolarHBondContact O-N 3.45Å
197D47.4Very low47.7Very low131 Ų131110.9 Ų110.970%0.70167%0.665SS**  trans-62.294.6170.4-177.425.3000107.1L195 G199L195-D197 PolarHBondContact O-N 3.24Å; D197-G199 VanDerWaalsContact C-N 3.32Å; D197-G199 PolarHBondContact O-N 2.98Å
198V49.4Very low46.5Very low46 Ų46113.6 Ų113.628%0.27970%0.695SS.*  trans-67.697.3179.9-138.90000105.2I196 F200I196-V198 VanDerWaalsContact O-CG2 3.29Å; I196-V198 WeakPolarHBondContact O-CG2 3.5Å; I196-V198 PolarHBondContact O-N 3.45Å; V198-F200 VanDerWaalsContact C-N 3.25Å; V198-F200 HydrophobicContact CB-CD2 4.1Å; V198-F200 HydrophobicContact CB-CE2 4.43Å; V198-F200 HydrophobicContact CG1-CD2 4.27Å; V198-F200 HydrophobicContact CG1-CE2 4.12Å; V198-F200 WeakPolarHBondContact O-CD2 3.46Å; V198-F200 PolarHBondContact O-N 3.09Å
199G45.3Very low46Very low69 Ų69118.1 Ų118.171%0.71171%0.707SS**SBendtrans-50.881-175.100000114.4D197D197-G199 VanDerWaalsContact C-N 3.32Å; D197-G199 PolarHBondContact O-N 2.98Å
200F49.8Very low45.3Very low131 Ų131116 Ų11658%0.57570%0.696SS**  trans-117.113174.2-83.5-77.5000111.4V198 D202V198-F200 VanDerWaalsContact C-N 3.25Å; V198-F200 HydrophobicContact CB-CD2 4.1Å; V198-F200 HydrophobicContact CB-CE2 4.43Å; V198-F200 HydrophobicContact CG1-CD2 4.27Å; V198-F200 HydrophobicContact CG1-CE2 4.12Å; V198-F200 WeakPolarHBondContact O-CD2 3.46Å; V198-F200 PolarHBondContact O-N 3.09Å; F200-D202 VanDerWaalsContact C-N 3.34Å; F200-D202 PolarHBondContact O-N 2.99Å; F200-D202 VanDerWaalsContact O-N 3.16Å
201T42.4Very low44.7Very low122 Ų122116.2 Ų116.275%0.74870%0.699SS**  trans-86.780169.3590000109.8
202D42.7Very low44.1Very low145 Ų145118.3 Ų118.378%0.77572%0.72SS**  trans-72.9140.3151.2-132.3-64.4000108F200 V204F200-D202 VanDerWaalsContact C-N 3.34Å; F200-D202 PolarHBondContact O-N 2.99Å; F200-D202 VanDerWaalsContact O-N 3.16Å; D202-V204 PolarHBondContact O-N 3.23Å
203D48.5Very low43.2Very low162 Ų162112.9 Ų112.987%0.86672%0.717SS**  trans-51.683.5-173.4-75.2-88.9000115.4
204V43.8Very low42.3Very low122 Ų122113.9 Ų113.974%0.73973%0.734SS**  trans-106.889.7163.3-179.20000110.1D202 K206D202-V204 PolarHBondContact O-N 3.23Å; V204-K206 HydrophobicContact CG1-CB 4.31Å; V204-K206 PolarHBondContact O-N 2.91Å
205K53.8Low41.3Very low212 Ų212112.3 Ų112.392%0.92275%0.746SS**  trans-51.894.4160.1-160177.9-170174.10110.3
206K40Very low40.1Very low194 Ų194109 Ų10984%0.84374%0.744SS**  trans-164105.2166.4-132.1178.4-179.1179.80106.5V204V204-K206 HydrophobicContact CG1-CB 4.31Å; V204-K206 PolarHBondContact O-N 2.91Å
207G34.3Very low39.3Very low64 Ų64116.9 Ų116.966%0.6678%0.777SS**  cis133.190.948.200000104.3H209G207-H209 PolarHBondContact O-N 2.92Å
208G32.6Very low38.5Very low82 Ų82116.5 Ų116.585%0.84578%0.78SS**  trans-59.4130.1-177.400000111.2G210G208-G210 PolarHBondContact O-N 2.92Å
209H37.9Very low37.9Very low204 Ų204118.6 Ų118.694%0.94480%0.802SS**  trans-75109.3165.7-78.472.4000108.2G207G207-H209 PolarHBondContact O-N 2.92Å
210G35.1Very low37.8Very low73 Ų73121.1 Ų121.175%0.75381%0.805SS**  trans-155.4104.5175.100000111.5G208G208-G210 PolarHBondContact O-N 2.92Å
211G32.2Very low37.1Very low81 Ų81122.5 Ų122.584%0.83582%0.818SS**  trans57.5109.3140.300000120.6
212G30.7Very low36.8Very low88 Ų88123.5 Ų123.591%0.90782%0.824SS**  64.6124.2118.100000121.2
213G31.1Very low36.4Very low84 Ų84119.2 Ų119.287%0.86681%0.814SS**  trans123.5103.3137.800000118.4
214G31.4Very low35.6Very low84 Ų84119.8 Ų119.887%0.86681%0.811SS**  78.2118121.900000122
215G31.9Very low35Very low89 Ų89121.1 Ų121.192%0.91881%0.814SS**  trans84.2136.7151.400000115.4
216G31.3Very low34Very low63 Ų63114 Ų11465%0.64980%0.801SS**  cis147.2128.510.500000107.3
217F32.7Very low33.8Very low208 Ų208113 Ų11391%0.91280%0.803SS**  trans64.1139.4165.7-75.5-98.4000116.3
218T31.4Very low34.1Very low124 Ų124116.9 Ų116.976%0.76181%0.806SS**  cis-155.8151.216.939.50000109.1
219A37.4Very low34.7Very low89 Ų89118.9 Ų118.974%0.73680%0.804SS**  trans-70.9171.915900000110.9
220P42.7Very low35.4Very low122 Ų122116.6 Ų116.679%0.79280%0.795SS**  -146.4136.764.733.9-12000117.3
221L36.3Very low36Very low160 Ų160119 Ų11984%0.83880%0.798SS**  24.9114.9120.7-148.4140000120.6
222V35.1Very low37.1Very low144 Ų144123.6 Ų123.687%0.87380%0.799SS**  trans-164.2136138.7-176.60000105
223G33.8Very low38.1Very low55 Ų55125.3 Ų125.357%0.56780%0.795SS**  cis135122.411.500000109.3
224H31.5Very low39.2Very low173 Ų173129.4 Ų129.480%0.80179%0.793SS**  trans90.7113.3156.1-69.168000121.9
225D31.6Very low40.1Very low151 Ų151131.1 Ų131.181%0.80779%0.789SS**  53126.7124.4-70.1-46000121.9
226G32.2Very low41.2Very low63 Ų63133 Ų13365%0.64978%0.783SS**  119.893.9128.900000117.8
227I37.4Very low42.2Very low172 Ų172136 Ų13688%0.88279%0.79SS**  61.2120.8129.6-53.2161.4000118.5
228M40.5Very low43.3Very low146 Ų146134.6 Ų134.672%0.71979%0.789SS**  trans-58.4163.3175-61.8-116.7-88.800114.4M230M228-M230 HydrophobicContact CE-CG 4.29Å
229P43.7Very low44.1Very low124 Ų124134.4 Ų134.481%0.80579%0.79SS**  -139.8144.998.732.6-16.8000114.8
230M53.8Low45.1Very low155 Ų155135.1 Ų135.176%0.76479%0.79SS**PPolyproline II helixtrans-64.6144.6168.6-81.1-155-179.900111.9M228M228-M230 HydrophobicContact CE-CG 4.29Å
231P47.5Very low45.6Very low124 Ų124135.4 Ų135.481%0.80579%0.791SS**PPolyproline II helixtrans-80.9125.7164.431.1-28.4000110.8
232M55.9Low46.4Very low177 Ų177135 Ų13587%0.87279%0.79SS**PPolyproline II helixtrans-62.9141.9170.7-71.6-105.1-101.400111.2
233P51.8Low47.7Very low124 Ų124133.6 Ų133.681%0.80578%0.784SS**PPolyproline II helixtrans-78.6129.9173.729.8-30.4000111.4
234M53.1Low48.5Very low170 Ų170136.8 Ų136.884%0.83780%0.795SS**PPolyproline II helixtrans-66.3146.5170.3-67.2-80.1-86.700110.7V236M234-V236 PolarHBondContact O-N 3.46Å
235P51Low49.3Very low120 Ų120137.1 Ų137.178%0.77979%0.794SS**PPolyproline II helixtrans-77.4120.7-179.730.1-31.2000110.8
236V55.2Low50.3Low130 Ų130135.3 Ų135.379%0.78879%0.793SS**PPolyproline II helixtrans-77.9136.8168.8-73.50000110.3M234M234-V236 PolarHBondContact O-N 3.46Å
237P52Low51.2Low124 Ų124141.4 Ų141.481%0.80580%0.798SS**PPolyproline II helixtrans-72.9130176.4-11.226.6000111.2
238M56.2Low52.2Low180 Ų180138.5 Ų138.589%0.88779%0.79SS**PPolyproline II helixtrans-66.6131.3170.1-78-92.1-82.100110.9
239P46.7Very low53.1Low120 Ų120136.9 Ų136.978%0.77979%0.79SS**PPolyproline II helixtrans-79.6126164.829.7-27.5000109.9
240S60Low53.5Low104 Ų104136.9 Ų136.973%0.72779%0.791SS**PPolyproline II helixtrans-62.3150.2173.8310000112.7
241P51.6Low53.4Low127 Ų127139.3 Ų139.383%0.82580%0.797SS**PPolyproline II helixtrans-74.2129.2-17728.9-33000111.9
242N53.7Low53.6Low153 Ų153136.1 Ų136.182%0.81879%0.787SS**PPolyproline II helixtrans-64.7142169.9-78.6-20.5000110.8
243P62.2Low53.2Low113 Ų113134 Ų13473%0.73479%0.786SS**PPolyproline II helixtrans-69.6150.9174.428.9-33.2000111.5
244P50.3Low52.9Low123 Ų123137.3 Ų137.380%0.79979%0.791SS**PPolyproline II helixtrans-68.3141.8178.427.4-32.6000111.7S246P244-S246 PolarHBondContact O-N 3.43Å
245F49.6Very low52.5Low180 Ų180137 Ų13779%0.78979%0.793SS**PPolyproline II helixtrans-61.5118.4177.5-157.2-97.7000110.4Y247F245-Y247 HydrophobicContact CD1-CE2 4.47Å
246S52.3Low51.9Low112 Ų112140.5 Ų140.578%0.78380%0.796SS**PPolyproline II helixtrans-92.3117.6179.3-161.40000109.8P244P244-S246 PolarHBondContact O-N 3.43Å
247Y50.8Low51.2Low192 Ų192140.9 Ų140.975%0.75379%0.794SS**PPolyproline II helixtrans-74.1138.8174.3-77.3-91.3000111F245F245-Y247 HydrophobicContact CD1-CE2 4.47Å
248P58.4Low51Low110 Ų110138.9 Ų138.971%0.71480%0.795SS**PPolyproline II helixtrans-70.4146.1168.528.2-31.1000110.6
249P59.1Low50.3Low112 Ų112137.5 Ų137.573%0.72779%0.791SS**PPolyproline II helixtrans-66.1148.3-179.826.6-33.1000111.4K251P249-K251 PolarHBondContact O-N 2.91Å
250P52Low49.8Very low125 Ų125138 Ų13881%0.81279%0.794SS**PPolyproline II helixtrans-64.7128.7178.526.3-31.4000109.7G252P250-G252 PolarHBondContact O-N 2.92Å
251K51.2Low48.9Very low205 Ų205139.8 Ų139.889%0.89180%0.8SS**PPolyproline II helixtrans-63.7133.1169-71.2-178.1176.5179.10108.3P249P249-K251 PolarHBondContact O-N 2.91Å
252G53.1Low48.3Very low58 Ų58137.1 Ų137.160%0.59880%0.796SS**PPolyproline II helixtrans-58.1168.1177.100000112.8P250 E254P250-G252 PolarHBondContact O-N 2.92Å; G252-E254 PolarHBondContact O-N 3.34Å
253P47.9Very low47.6Very low133 Ų133136.2 Ų136.286%0.86480%0.796SS**  trans-70.3115.8-169.527.7-32.1000110.9
254E44.1Very low46.4Very low192 Ų192141.1 Ų141.190%0.89780%0.801SS**  trans-77.2126.6161.7-70.2-163.7150.400109.3G252 F256G252-E254 PolarHBondContact O-N 3.34Å; E254-F256 PolarHBondContact O-N 3.48Å
255N46.3Very low46Very low165 Ų165143 Ų14388%0.88280%0.799SS**  trans-67.7121.4177.9-86.1-41.9000111
256F37.7Very low45.4Very low192 Ų192140.1 Ų140.184%0.84280%0.799SS**  trans-136.8114.6158.2-153.5-97.8000110E254E254-F256 PolarHBondContact O-N 3.48Å
257N39.8Very low44.6Very low139 Ų139143.9 Ų143.974%0.74380%0.802SS**SBendtrans66.366.5171.8-84.64.8000120L259N257-L259 PolarHBondContact O-N 2.87Å
258G47.9Very low44.1Very low81 Ų81139.2 Ų139.284%0.83580%0.802SS**  5546.9118.600000121.8
259L41.4Very low43.7Very low151 Ų151138.4 Ų138.479%0.79181%0.805SS**  trans-141.8137.7161.5-74.3170.8000110.7N257 V261N257-L259 PolarHBondContact O-N 2.87Å; L259-V261 PolarHBondContact O-N 2.83Å
260P36.3Very low43.3Very low132 Ų132140.5 Ų140.586%0.85781%0.81SS**  trans-79110.2-175.231.1-31.3000110.5
261V40.5Very low43Very low141 Ų141142.6 Ų142.686%0.85581%0.813SS**PPolyproline II helixtrans-96.5126.41691760000108.5L259L259-V261 PolarHBondContact O-N 2.83Å
262G39.2Very low43.2Very low70 Ų70141.3 Ų141.372%0.72281%0.809SS**PPolyproline II helixtrans-60132.3-164.300000115.8
263T39.6Very low43.1Very low135 Ų135143.6 Ų143.683%0.82881%0.814SS**PPolyproline II helixtrans-59.1128.7165.9-40.70000110.8Q265T263-Q265 PolarHBondContact O-N 3.21Å
264Y36.9Very low43.2Very low215 Ų215142.7 Ų142.784%0.84381%0.808SS**  trans-64.4115.2167.2-105.9-100000109.6
265Q42.5Very low43.9Very low163 Ų163139.5 Ų139.576%0.76280%0.804SS**  trans-88.5139.4163.5-79.2-173.8-70.600109.9T263T263-Q265 PolarHBondContact O-N 3.21Å
266P35.9Very low44.1Very low120 Ų120139.2 Ų139.278%0.77980%0.801SS**  trans-74.8125.5167.531.1-28.8000108.5A268P266-A268 PolarHBondContact O-N 3.18Å; P266-A268 VanDerWaalsContact O-N 3.15Å
267F36.8Very low44.7Very low191 Ų191135.5 Ų135.584%0.83880%0.796SS**  trans-69.1113.3-179.5-3.8-83.3000109.7
268A39.4Very low45.3Very low93 Ų93133.5 Ų133.577%0.76980%0.799SS**  trans-65.7153.2161.600000110.4P266P266-A268 PolarHBondContact O-N 3.18Å; P266-A268 VanDerWaalsContact O-N 3.15Å
269A49.8Very low45.7Very low93 Ų93136.4 Ų136.477%0.76980%0.795SS**SBendtrans-52151.8177.100000113.7
270N50.4Low46.2Very low156 Ų156134.6 Ų134.683%0.83479%0.792SS**  trans92.270.1173.4-71-2.6000119
271I46.9Very low46.8Very low169 Ų169134.4 Ų134.487%0.86779%0.791SS**  trans-136.1117.4148.9-54.4-178.6000109.3
272H54.6Low47.1Very low178 Ų178134.3 Ų134.382%0.82479%0.791SS**PPolyproline II helixtrans-70.9141.7173.2-97.4-98.1000111
273P50.7Low47.2Very low106 Ų106140 Ų14069%0.68879%0.792SS**PPolyproline II helixtrans-70.9149.5167.729.1-31.6000110.9
274P50.8Low47.2Very low114 Ų114142.2 Ų142.274%0.7479%0.793SS**PPolyproline II helixtrans-69147.2178.229.4-32.7000110.9
275P57.8Low47.2Very low126 Ų126137 Ų13782%0.81879%0.788SS**PPolyproline II helixtrans-73.2137.7-178.529-32.5000111.7
276I51Low47Very low158 Ų158135.7 Ų135.781%0.8179%0.785SS**PPolyproline II helixtrans-77.9134.2173.2-52.5169.2000108.2
277P51.4Low47Very low115 Ų115137.2 Ų137.275%0.74779%0.786SS**PPolyproline II helixtrans-63.9135.8175.1-17.630.2000111.7N279P277-N279 PolarHBondContact O-N 3.23Å
278A51.8Low46.9Very low97 Ų97136.7 Ų136.780%0.80279%0.787SS**SBendtrans-89.916.7-171.100000115.6
279N56.3Low46.9Very low141 Ų141138.2 Ų138.275%0.75479%0.789SS**SBendtrans-131.8130.8-179.1-71.139.1000111.3P277P277-N279 PolarHBondContact O-N 3.23Å
280P52.1Low46.1Very low113 Ų113139.7 Ų139.773%0.73479%0.793SS**PPolyproline II helixtrans-68.6153.2171.130-33.3000110.5T282P280-T282 PolarHBondContact O-N 3.31Å
281P48.9Very low45.3Very low129 Ų129136.8 Ų136.884%0.83879%0.791SS**PPolyproline II helixtrans-63127.9175.525.6-31.9000110.3Y283P281-Y283 PolarHBondContact O-N 3.04Å
282T47.1Very low44.7Very low139 Ų139136.1 Ų136.185%0.85379%0.79SS**PPolyproline II helixtrans-67.9120.8171.4-14.30000108.8P280 E284P280-T282 PolarHBondContact O-N 3.31Å; T282-E284 PolarHBondContact O-N 3.18Å
283Y39.7Very low43.7Very low189 Ų189137.3 Ų137.374%0.74179%0.792SS**PPolyproline II helixtrans-74.3118.5172.1-169.7-95.5000108.3P281 S285P281-Y283 PolarHBondContact O-N 3.04Å; Y283-S285 PolarHBondContact O-N 3.11Å
284E40.8Very low42.7Very low181 Ų181139.9 Ų139.985%0.84680%0.8SS**PPolyproline II helixtrans-69.3119.8167.8-79.7-159.5151.800109.1T282 I286T282-E284 PolarHBondContact O-N 3.18Å; E284-I286 PolarHBondContact O-N 3.48Å
285S36.4Very low41.7Very low105 Ų105140.8 Ų140.873%0.73480%0.803SS**PPolyproline II helixtrans-56.1122.8172.8-49.90000110.6Y283 D287Y283-S285 PolarHBondContact O-N 3.11Å; S285-D287 PolarHBondContact O-N 3.02Å
286I37.6Very low40.4Very low136 Ų136140 Ų14070%0.69780%0.801SS**PPolyproline II helixtrans-77.4116.1165.3-63.3163.4000106.6E284 E288E284-I286 PolarHBondContact O-N 3.48Å; I286-E288 PolarHBondContact O-N 3.07Å
287D37.6Very low39.5Very low152 Ų152137.9 Ų137.981%0.81380%0.8SS**  trans-62115.5168.7-88.1-52.6000110S285S285-D287 PolarHBondContact O-N 3.02Å
288E34Very low38.6Very low180 Ų180136.8 Ų136.884%0.84180%0.801SS**PPolyproline II helixtrans-79129.2162.3-81.4-171.4121.300109.8I286I286-E288 PolarHBondContact O-N 3.07Å
289P39.3Very low37.7Very low126 Ų126141.7 Ų141.782%0.81881%0.807SS**PPolyproline II helixtrans-83.5118.5162.230.2-27.6000110.2
290S33.1Very low36.4Very low123 Ų123141.4 Ų141.486%0.8681%0.81SS**PPolyproline II helixtrans-52.9136.5170.5-490000113
291A34Very low35.3Very low96 Ų96141.5 Ų141.579%0.79381%0.814SS**  trans-149.2112.4153.300000110.2
292D33.2Very low34.4Very low155 Ų155139 Ų13983%0.82981%0.81SS**  trans-49.7138.1173.8-60.9-64.6000113.6
293K33.4Very low34.2Very low202 Ų202138.6 Ų138.688%0.87881%0.81SS**  trans-147.393.5145.7-78-161.5178.5170.60111.3
294D30.5Very low33.7Very low160 Ų160133.2 Ų133.286%0.85681%0.812SS**  trans-66.3135146.5-90.6-49000109.9
295V30.4Very low33.7Very low133 Ų133130.9 Ų130.981%0.80681%0.813SS**  trans-134.1112.4156.6-177.30000108.3
296S30.8Very low33.7Very low110 Ų110135.2 Ų135.277%0.76982%0.819SS**  trans-93.5138.3162.1-83.20000111.1
297S31.7Very low33.8Very low114 Ų114133.6 Ų133.680%0.79782%0.817SS**  trans5.1128.9150.6-48.90000121.5
298A32.5Very low33.4Very low91 Ų91135.3 Ų135.375%0.75282%0.82SS**  trans52.1115.9135.700000121.4
299Q31.6Very low33.2Very low201 Ų201131 Ų13194%0.93982%0.815SS**  -179.3155112.4-103.4179-6100113.2
300V30.7Very low33.1Very low135 Ų135130.5 Ų130.582%0.81882%0.815SS**  trans-81.6143.7-170.8172.50000112.7
301S29.3Very low33.5Very low115 Ų115130.6 Ų130.680%0.80481%0.812SS**  trans162.4131.3132.2-69.70000112
302G29.4Very low33.6Very low75 Ų75135.6 Ų135.677%0.77382%0.817SS**  trans-82.8-151.4176.700000114
303P43.4Very low33.8Very low131 Ų131134.5 Ų134.585%0.85182%0.818SS**  cis-133.2149.8-16.537.6-20.2000115.7
304G28.9Very low33.7Very low76 Ų76134.5 Ų134.578%0.78482%0.818SS**  trans51.3174.4152.400000121.6
305P41Very low33.9Very low133 Ų133131.5 Ų131.586%0.86482%0.815SS**  cis-129.8177.4-6.537.8-18.3000115.7
306K34.6Very low33.9Very low195 Ų195132.2 Ų132.285%0.84882%0.82SS**  trans-51.2167.6165-86.3176.71781770113.9
307P41.1Very low34Very low103 Ų103131.1 Ų131.167%0.66982%0.817SS**  cis-151.2177.741.240.5-17.8000119.2
308E28.4Very low34.6Very low187 Ų187130.8 Ų130.887%0.87481%0.812SS**  trans47.7147.7145.2-84.7171.1114.300121.7
309A31Very low34.6Very low89 Ų89133.7 Ų133.774%0.73682%0.815SS**  cis-161.2161.210.700000110
310S37.1Very low34.7Very low116 Ų116128.7 Ų128.781%0.81180%0.798SS**  trans-66.5162.2170.3-52.30000112.6
311P39.9Very low34.8Very low125 Ų125132 Ų13281%0.81280%0.798SS**  -149.4161.986.333.6-12.8000116.9
312K36.1Very low35Very low202 Ų202133.4 Ų133.488%0.87880%0.796SS**  trans-71.6163.2167.1-84.9175.6170.3174.10112.1
313P38.7Very low35.3Very low132 Ų132135.9 Ų135.986%0.85779%0.791SS**  -144.9-172.4104.533.4-13000115.8
314K31.1Very low35.1Very low202 Ų202139.9 Ų139.988%0.87880%0.796SS**  trans-94.3154.1-149.8-69.6166.4168.21760117.5
315A33.8Very low35.8Very low97 Ų97142.2 Ų142.280%0.80280%0.795SS**  trans41.1128.6132.200000123.5
316V30.3Very low35.9Very low148 Ų148143.5 Ų143.590%0.89779%0.794SS**  trans-155.5139.9143.6178.50000110.1
317A34Very low36.5Very low87 Ų87140 Ų14072%0.71979%0.79SS**  trans-117.7167.9158.500000106.7
318P44.6Very low37Very low107 Ų107144.4 Ų144.470%0.69580%0.802SS**  cis-147.1173.838.438.1-15.4000116.6
319D31.8Very low37.9Very low152 Ų152143.3 Ų143.381%0.81380%0.801SS**  175.2129.7124-93.6-28.2000115.7
320T33.2Very low38.8Very low95 Ų95144.8 Ų144.858%0.58380%0.803SS**  trans-17.2160.9160.9-37.80000123.7
321Y33.2Very low39.4Very low206 Ų206145 Ų14581%0.80881%0.805SS**  trans89.1127.9167.8-44.8-77.8000115.3
322D34.6Very low39.6Very low144 Ų144145.4 Ų145.477%0.7781%0.805SS**  cis-159.3164.832.1-132.5-29.8000114.7
323N35.2Very low39.9Very low126 Ų126141.2 Ų141.267%0.67480%0.799SS**  trans-75.9141-167.9-69.7-90.4000115.8
324F38.3Very low40.4Very low216 Ų216142.8 Ų142.895%0.94780%0.8SS**  trans-134107.1150.9-110.1-90.7000109.3
325V44.1Very low41Very low125 Ų125139.3 Ų139.376%0.75880%0.795SS**PPolyproline II helixtrans-96.3120.8178.2176.20000108.4
326L43.3Very low41.3Very low160 Ų160142.4 Ų142.484%0.83880%0.798SS**PPolyproline II helixtrans-82.9141172.7-82.9150.9000110.3
327P47.8Very low41.8Very low120 Ų120141.5 Ų141.578%0.77980%0.795SS**PPolyproline II helixtrans-70.6137.7175.4-12.226.6000112.3
328E51.3Low41.9Very low197 Ų197143.6 Ų143.692%0.92180%0.799SS**PPolyproline II helixtrans-70.3137.4169.5-93.6-179.614600111.7
329L46.9Very low41.5Very low163 Ų163143 Ų14385%0.85380%0.803SS**PPolyproline II helixtrans-80.5142.1176-68.6166.8000110.8
330P49.4Very low41.8Very low120 Ų120141.2 Ų141.278%0.77980%0.802SS**PPolyproline II helixtrans-70.4141.4-179.627.7-33.6000112.9
331S50.2Low42Very low122 Ų122141.6 Ų141.685%0.85382%0.815SS**PPolyproline II helixtrans-65.7136.9178.5-56.70000113.2
332V43.5Very low42Very low133 Ų133135.3 Ų135.381%0.80681%0.813SS**PPolyproline II helixtrans-76.7132.7-179.7-156.50000110.2
333P43.2Very low42Very low114 Ų114133.1 Ų133.174%0.7482%0.815SS**PPolyproline II helixtrans-75.4126.717825.7-30.1000112.8T335P333-T335 PolarHBondContact O-N 3.32Å
334D49.1Very low42Very low164 Ų164135.1 Ų135.188%0.87783%0.826SS**  trans-74.8101.7168.6-94.1-41.4000111
335T43.3Very low41.8Very low129 Ų129130.2 Ų130.279%0.79182%0.818SS**  trans-148.787.6160.149.80000111.7P333P333-T335 PolarHBondContact O-N 3.32Å
336L39.9Very low41.8Very low163 Ų163130.1 Ų130.185%0.85382%0.823SS**PPolyproline II helixtrans-88.6136.4160.4-72.9171000109.6T338L336-T338 PolarHBondContact O-N 3.37Å
337P40.8Very low41.7Very low128 Ų128126.2 Ų126.283%0.83181%0.814SS**PPolyproline II helixtrans-80.5117.4161.317.3-4.7000109.9
338T37.2Very low41.9Very low132 Ų132125.9 Ų125.981%0.8181%0.814SS**PPolyproline II helixtrans-72.2125.1165.3-65.40000110.6L336L336-T338 PolarHBondContact O-N 3.37Å
339A35.6Very low41.7Very low95 Ų95125.1 Ų125.179%0.78581%0.811SS**  trans-142.496.3147.700000105.6
340S37Very low42Very low113 Ų113124.6 Ų124.679%0.7981%0.809SS**  50.28177.7-175.30000114.2
341A38.5Very low42.6Very low104 Ų104125 Ų12586%0.8680%0.803SS**  trans-141.6113.6138.400000107.5
342G33.3Very low43.7Very low74 Ų74124.7 Ų124.776%0.76379%0.792SS**  trans-99.1-177.3-179.300000113.5
343A33.4Very low44.7Very low97 Ų97125.6 Ų125.680%0.80279%0.785SS**  trans86.398.3159.900000118.4
344N37Very low46.3Very low169 Ų169126.4 Ų126.490%0.90478%0.783SS**  trans34.5114.4132.9-65.6-1.9000119.1
345S34.1Very low47.9Very low113 Ų113122.9 Ų122.979%0.7977%0.765SS**  -148.2121125.160.50000110.6
346S43.7Very low49.6Very low123 Ų123120.8 Ų120.886%0.8675%0.748SS**  trans-77.2105.7163.639.70000108.5
347A41.2Very low51.4Low78 Ų78116 Ų11665%0.64573%0.728SS**  trans-163139.8156.900000108.4E349A347-E349 PolarHBondContact O-N 2.92Å
348S51.9Low53.6Low112 Ų112117.8 Ų117.878%0.78372%0.718SS**  trans-44.9114.5170.546.30000112.9D350S348-D350 PolarHBondContact O-N 3.4Å
349E47.5Very low55.6Low182 Ų182119.5 Ų119.585%0.8571%0.71SS**  trans-95.784.2166-70.6-174.5163.500108.8A347 I351A347-E349 PolarHBondContact O-N 2.92Å; E349-I351 PolarHBondContact O-N 2.97Å
350D53.1Low57.8Low151 Ų151121.8 Ų121.881%0.80770%0.702SS**  trans-65.2118.7150.9-87.8-49.7000106.6S348 D352S348-D350 PolarHBondContact O-N 3.4Å; D350-D352 PolarHBondContact O-N 3.05Å
351I60.8Low59.9Low128 Ų128122.8 Ų122.866%0.65669%0.694SS**  trans-69.1103.9177.8-61.9170.7000107.4E349 F353 L356E349-I351 PolarHBondContact O-N 2.97Å; I351-F353 PolarHBondContact O-N 3.28Å; I351-F353 VanDerWaalsContact O-N 3.17Å; I351-L356 HydrophobicContact CG2-CD1 3.68Å
352D74.3Confident61.9Low116 Ų116123.3 Ų123.362%0.6268%0.679SS**  trans-76.6103.8-176.7-137.8-28.7000110.4D350 D354 D355 L356D350-D352 PolarHBondContact O-N 3.05Å; D352-D354 PolarHBondContact O-N 3.26Å; D352-D355 PolarHBondContact O-N 3.09Å; D352-D355 VanDerWaalsContact O-N 3.11Å; D352-L356 PolarHBondContact O-N 3.3Å
353F65Low63.7Low153 Ų153126.1 Ų126.167%0.67168%0.676SS**Hα-helixtrans-63.9-23.2-173.6-108.5-96.2000113.2I351 S357I351-F353 PolarHBondContact O-N 3.28Å; I351-F353 VanDerWaalsContact O-N 3.17Å; F353-S357 WeakPolarHBondContact O-CB 3.33Å; F353-S357 PolarHBondContact O-N 3.26Å; F353-S357 PolarHBondContact O-OG 3.3Å
354D75.1Confident65.5Low131 Ų131128.8 Ų128.870%0.70167%0.669SS**Hα-helixtrans-72.4-34175.4-85.7-15.7000112.2D352 S357 R358D352-D354 PolarHBondContact O-N 3.26Å; D354-S357 PolarHBondContact O-N 3.1Å; D354-R358 WeakPolarHBondContact O-CB 3.42Å; D354-R358 PolarHBondContact O-N 3.05Å
355D83.3Confident67.1Low90 Ų90129.7 Ų129.748%0.48167%0.665SS.*Hα-helixtrans-69.8-38.3176.3-170.254.5000111.4D352 R358 R359D352-D355 PolarHBondContact O-N 3.09Å; D352-D355 VanDerWaalsContact O-N 3.11Å; D355-R358 PolarHBondContact O-N 3.48Å; D355-R359 WeakPolarHBondContact O-CB 3.45Å; D355-R359 PolarHBondContact O-N 3.45Å
356L78.8Confident68.5Low85 Ų85133.4 Ų133.445%0.44567%0.667SS.*Hα-helixtrans-65.2-41.3174-68.8177.5000112.2I351 D352 R358 R359 F360I351-L356 HydrophobicContact CG2-CD1 3.68Å; D352-L356 PolarHBondContact O-N 3.3Å; L356-R358 VanDerWaalsContact C-N 3.35Å; L356-R359 PolarHBondContact O-N 2.92Å; L356-F360 WeakPolarHBondContact O-CB 3.42Å; L356-F360 PolarHBondContact O-N 3.48Å
357S77.4Confident68.5Low61 Ų61136.3 Ų136.343%0.42768%0.68SS.*Hα-helixtrans-65.5-40.3178-60.10000111.4F353 D354 F360 E361F353-S357 WeakPolarHBondContact O-CB 3.33Å; F353-S357 PolarHBondContact O-N 3.26Å; F353-S357 PolarHBondContact O-OG 3.3Å; D354-S357 PolarHBondContact O-N 3.1Å; S357-F360 PolarHBondContact O-N 3.37Å; S357-E361 PolarHBondContact O-N 3.3Å; S357-E361 VanDerWaalsContact O-N 3.09Å
358R86.5Confident69.9Low166 Ų166139.3 Ų139.363%0.62668%0.682SS**Hα-helixtrans-65.7-44.6176.4-167.5-179.8-172.8-1754.1112.3D354 D355 L356 F360 E361 E362D354-R358 WeakPolarHBondContact O-CB 3.42Å; D354-R358 PolarHBondContact O-N 3.05Å; D355-R358 PolarHBondContact O-N 3.48Å; L356-R358 VanDerWaalsContact C-N 3.35Å; R358-F360 VanDerWaalsContact C-N 3.27Å; R358-F360 PolarHBondContact O-N 3.34Å; R358-E361 PolarHBondContact O-N 3.37Å; R358-E362 PolarHBondContact O-N 3.35Å; R358-E362 VanDerWaalsContact O-N 3.09Å
359R79.5Confident70.9Confident169 Ų169140.7 Ų140.764%0.63868%0.676SS**Hα-helixtrans-62.2-34175.1-92.2178.7139.1-173.9-2.5112.8D355 L356 L363D355-R359 WeakPolarHBondContact O-CB 3.45Å; D355-R359 PolarHBondContact O-N 3.45Å; L356-R359 PolarHBondContact O-N 2.92Å; R359-L363 PolarHBondContact O-N 3.46Å
360F82Confident72.1Confident143 Ų143138.4 Ų138.463%0.62767%0.667SS**Hα-helixtrans-69.4-40.4176.3-173.7-100.9000112.3L356 S357 R358 E362 L363 K364L356-F360 WeakPolarHBondContact O-CB 3.42Å; L356-F360 PolarHBondContact O-N 3.48Å; S357-F360 PolarHBondContact O-N 3.37Å; R358-F360 VanDerWaalsContact C-N 3.27Å; R358-F360 PolarHBondContact O-N 3.34Å; F360-E362 VanDerWaalsContact C-N 3.35Å; F360-E362 PolarHBondContact O-N 3.24Å; F360-L363 PolarHBondContact O-N 3.19Å; F360-K364 HydrophobicContact CE1-CD 4.18Å; F360-K364 PolarHBondContact O-N 3.44Å
361E82.1Confident73.3Confident134 Ų134137.6 Ų137.663%0.62666%0.658SS**Hα-helixtrans-66.3-35.2175-78.3-166.7148.700113.1S357 R358 L363 K364 K365S357-E361 PolarHBondContact O-N 3.3Å; S357-E361 VanDerWaalsContact O-N 3.09Å; R358-E361 PolarHBondContact O-N 3.37Å; E361-L363 VanDerWaalsContact C-N 3.29Å; E361-L363 PolarHBondContact O-N 3.41Å; E361-K364 PolarHBondContact O-N 3.33Å; E361-K365 PolarHBondContact O-N 3.25Å
362E80.4Confident74Confident115 Ų115138.3 Ų138.354%0.53766%0.659SS.*Hα-helixtrans-65.9-32.2175.3-75-178.4176.500112.5R358 F360 K365R358-E362 PolarHBondContact O-N 3.35Å; R358-E362 VanDerWaalsContact O-N 3.09Å; F360-E362 VanDerWaalsContact C-N 3.35Å; F360-E362 PolarHBondContact O-N 3.24Å; E362-K365 PolarHBondContact O-N 3.42Å
363L69.7Low74Confident133 Ų133139.7 Ų139.770%0.69666%0.661SS**Hα-helixtrans-71.1-38.7176.3-132.992.4000112R359 F360 E361 K365 K366R359-L363 PolarHBondContact O-N 3.46Å; F360-L363 PolarHBondContact O-N 3.19Å; E361-L363 VanDerWaalsContact C-N 3.29Å; E361-L363 PolarHBondContact O-N 3.41Å; L363-K365 VanDerWaalsContact C-N 3.25Å; L363-K365 PolarHBondContact O-N 3.25Å; L363-K366 PolarHBondContact O-N 3.15Å
364K72.3Confident74.7Confident153 Ų153138.8 Ų138.867%0.66566%0.66SS**Hα-helixtrans-66.4-23.9176.5-95.3-174.469.2-179.80113.8F360 E361 K366F360-K364 HydrophobicContact CE1-CD 4.18Å; F360-K364 PolarHBondContact O-N 3.44Å; E361-K364 PolarHBondContact O-N 3.33Å; K364-K366 VanDerWaalsContact C-N 3.31Å
365K71.3Confident74.6Confident187 Ų187139.4 Ų139.481%0.81366%0.657SS**THydrogen-bonded Turntrans-82.6-6.8176.5-84.2179.4176.11700113.8E361 E362 L363E361-K365 PolarHBondContact O-N 3.25Å; E362-K365 PolarHBondContact O-N 3.42Å; L363-K365 VanDerWaalsContact C-N 3.25Å; L363-K365 PolarHBondContact O-N 3.25Å
366K63.1Low73.9Confident192 Ų192143.5 Ų143.584%0.83567%0.672SS**THydrogen-bonded Turntrans-106.68.3-176-122.7177.2-176.4176.20114.3L363 K364L363-K366 PolarHBondContact O-N 3.15Å; K364-K366 VanDerWaalsContact C-N 3.31Å
367T43.9Very low73.5Confident184 Ų184148.8 Ų148.8100%1.12969%0.693SS**  trans-121.70167.8-53.60000107.7

Retrieved 367 of 367 residues in 355.8 ms (Link to these results)