G4VCC1_SCHMA Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession G4VCC1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 302 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M81.7Confident91Very high113 Ų11370.6 Ų70.656%0.55734%0.344SS*.  0106.70178.5176-57.400105.6L3 W6 K23 Y27M1-L3 HydrophobicContact CG-CD2 3.86Å; M1-L3 HydrophobicContact CG-CG 4.17Å; M1-L3 HydrophobicContact SD-CD2 3.72Å; M1-L3 HydrophobicContact SD-CG 4.33Å; M1-W6 HydrophobicContact CB-CH2 4.42Å; M1-W6 HydrophobicContact CE-CH2 3.74Å; M1-W6 HydrophobicContact CE-CZ3 4Å; M1-W6 HydrophobicContact CG-CE3 4.06Å; M1-W6 HydrophobicContact CG-CH2 3.45Å; M1-W6 VanDerWaalsContact CG-CH2 3.45Å; M1-W6 HydrophobicContact CG-CZ2 4.04Å; M1-W6 HydrophobicContact CG-CZ3 3.42Å; M1-W6 VanDerWaalsContact CG-CZ3 3.42Å; M1-W6 HydrophobicContact SD-CE3 4.48Å; M1-W6 HydrophobicContact SD-CH2 3.83Å; M1-W6 HydrophobicContact SD-CZ3 3.54Å; M1-W6 VanDerWaalsContact SD-CZ3 3.54Å; M1-K23 HydrophobicContact CE-CB 4.32Å; M1-Y27 HydrophobicContact CE-CD1 4.3Å; M1-Y27 HydrophobicContact CE-CG 3.89Å; M1-Y27 HydrophobicContact SD-CD1 3.86Å; M1-Y27 HydrophobicContact SD-CE1 4.42Å; M1-Y27 HydrophobicContact SD-CG 4.04Å
2D89.6Confident91Very high81 Ų8170.6 Ų70.643%0.43335%0.351SS..  trans-9794.9176.4-170-29000108.3D4 E5 W6D2-D4 PolarHBondContact O-N 3.07Å; D2-D4 WeakPolarHBondContact OD1-CB 3.32Å; D2-D4 PolarHBondContact OD1-N 3.18Å; D2-E5 HydrophobicContact CB-CB 3.89Å; D2-E5 PolarHBondContact O-N 3.12Å; D2-E5 PolarHBondContact OD1-N 3.44Å; D2-W6 PolarHBondContact O-N 3.48Å
3L91.8Very high91.1Very high36 Ų3666.3 Ų66.319%0.18833%0.332CS..Hα-helixtrans-67-25.8-178.7-67.5176.9000112.1M1 W6 M7 A98 K99M1-L3 HydrophobicContact CG-CD2 3.86Å; M1-L3 HydrophobicContact CG-CG 4.17Å; M1-L3 HydrophobicContact SD-CD2 3.72Å; M1-L3 HydrophobicContact SD-CG 4.33Å; L3-W6 HydrophobicContact CD2-CE3 3.77Å; L3-W6 HydrophobicContact CD2-CZ3 4.01Å; L3-M7 WeakPolarHBondContact O-CB 3.22Å; L3-M7 PolarHBondContact O-N 2.87Å; L3-A98 HydrophobicContact CD1-CB 4.28Å; L3-A98 HydrophobicContact CD2-CB 3.77Å; L3-K99 HydrophobicContact CD1-CB 4.31Å
4D92.1Very high91.1Very high99 Ų9970.6 Ų70.653%0.52935%0.347SS..Hα-helixtrans-74.3-43.3178.9-73.3-34.7000111D2 M7 F8 K99D2-D4 PolarHBondContact O-N 3.07Å; D2-D4 WeakPolarHBondContact OD1-CB 3.32Å; D2-D4 PolarHBondContact OD1-N 3.18Å; D4-M7 PolarHBondContact O-N 2.84Å; D4-F8 WeakPolarHBondContact O-CB 3.43Å; D4-F8 PolarHBondContact O-N 3.42Å; D4-K99 IonicContact OD1-NZ 3.6Å; D4-K99 PolarHBondContact OD1-NZ 2.68Å
5E92.4Very high91.2Very high128 Ų12872.1 Ų72.160%0.59835%0.349SS*.Hα-helixtrans-61.6-48.2172.7-173.9-176.9-172.600111.3D2 M7 F8 C9D2-E5 HydrophobicContact CB-CB 3.89Å; D2-E5 PolarHBondContact O-N 3.12Å; D2-E5 PolarHBondContact OD1-N 3.44Å; E5-M7 VanDerWaalsContact C-N 3.34Å; E5-M7 PolarHBondContact O-N 3Å; E5-F8 PolarHBondContact O-N 3.27Å; E5-C9 PolarHBondContact O-N 3.41Å
6W93.1Very high91.5Very high9 Ų967.8 Ų67.83%0.03433%0.328CS..Hα-helixtrans-58.7-47.2176.6-71.5-2.4000111.1M1 D2 L3 F8 C9 V10 L16 E20 K23 L24 V95M1-W6 HydrophobicContact CB-CH2 4.42Å; M1-W6 HydrophobicContact CE-CH2 3.74Å; M1-W6 HydrophobicContact CE-CZ3 4Å; M1-W6 HydrophobicContact CG-CE3 4.06Å; M1-W6 HydrophobicContact CG-CH2 3.45Å; M1-W6 VanDerWaalsContact CG-CH2 3.45Å; M1-W6 HydrophobicContact CG-CZ2 4.04Å; M1-W6 HydrophobicContact CG-CZ3 3.42Å; M1-W6 VanDerWaalsContact CG-CZ3 3.42Å; M1-W6 HydrophobicContact SD-CE3 4.48Å; M1-W6 HydrophobicContact SD-CH2 3.83Å; M1-W6 HydrophobicContact SD-CZ3 3.54Å; M1-W6 VanDerWaalsContact SD-CZ3 3.54Å; D2-W6 PolarHBondContact O-N 3.48Å; L3-W6 HydrophobicContact CD2-CE3 3.77Å; L3-W6 HydrophobicContact CD2-CZ3 4.01Å; W6-F8 VanDerWaalsContact C-N 3.31Å; W6-F8 PolarHBondContact O-N 3.43Å; W6-C9 WeakPolarHBondContact O-CB 3.28Å; W6-C9 PolarHBondContact O-N 3.49Å; W6-C9 VanDerWaalsContact O-N 3.14Å; W6-V10 VanDerWaalsContact O-CG2 3.3Å; W6-V10 WeakPolarHBondContact O-CG2 3.02Å; W6-V10 PolarHBondContact O-N 3.29Å; W6-L16 HydrophobicContact CB-CD1 4.41Å; W6-L16 HydrophobicContact CB-CD2 4.14Å; W6-L16 HydrophobicContact CD2-CD1 4.01Å; W6-L16 HydrophobicContact CE3-CD1 4.37Å; W6-L16 HydrophobicContact CG-CD1 4.04Å; W6-L16 HydrophobicContact CG-CD2 3.99Å; W6-E20 HydrophobicContact CZ2-CB 3.83Å; W6-E20 HydrophobicContact CZ2-CG 4.42Å; W6-E20 WeakPolarHBondContact CZ2-OE2 3.33Å; W6-E20 PolarHBondContact NE1-OE2 2.86Å; W6-K23 HydrophobicContact CH2-CB 4.02Å; W6-K23 HydrophobicContact CZ2-CB 4.42Å; W6-L24 HydrophobicContact CE3-CB 4.26Å; W6-L24 HydrophobicContact CE3-CD1 4.04Å; W6-L24 HydrophobicContact CH2-CB 3.89Å; W6-L24 HydrophobicContact CZ3-CB 3.55Å; W6-L24 HydrophobicContact CZ3-CD1 3.7Å; W6-L24 HydrophobicContact CZ3-CG 4.14Å; W6-V95 HydrophobicContact CB-CG1 4.3Å; W6-V95 HydrophobicContact CB-CG2 4.16Å; W6-V95 HydrophobicContact CE3-CG2 4.43Å
7M92.9Very high91.7Very high10 Ų1068.8 Ų68.85%0.04934%0.341CS..Hα-helixtrans-56.8-44.1177.3-17762.97300112L3 D4 E5 V10 K11 F92 V95 L96 K99L3-M7 WeakPolarHBondContact O-CB 3.22Å; L3-M7 PolarHBondContact O-N 2.87Å; D4-M7 PolarHBondContact O-N 2.84Å; E5-M7 VanDerWaalsContact C-N 3.34Å; E5-M7 PolarHBondContact O-N 3Å; M7-V10 WeakPolarHBondContact O-CG2 3.41Å; M7-K11 HydrophobicContact CG-CD 4.18Å; M7-K11 WeakPolarHBondContact O-CB 3.43Å; M7-K11 VanDerWaalsContact O-CG 3.23Å; M7-K11 WeakPolarHBondContact O-CG 3.24Å; M7-K11 PolarHBondContact O-N 3.11Å; M7-K11 VanDerWaalsContact O-N 3.1Å; M7-K11 HydrophobicContact SD-CD 4.31Å; M7-K11 HydrophobicContact SD-CG 4.32Å; M7-F92 HydrophobicContact SD-CD2 4.09Å; M7-F92 HydrophobicContact SD-CE2 3.66Å; M7-V95 HydrophobicContact CB-CG1 4.05Å; M7-V95 HydrophobicContact CE-CB 4.36Å; M7-V95 HydrophobicContact CE-CG1 3.66Å; M7-V95 HydrophobicContact SD-CG1 4.36Å; M7-L96 HydrophobicContact CE-CD2 3.34Å; M7-L96 HydrophobicContact CE-CG 3.83Å; M7-L96 HydrophobicContact SD-CD2 4.16Å; M7-K99 HydrophobicContact CE-CD 4.24Å
8F91.5Very high92.1Very high155 Ų15567.8 Ų67.868%0.6834%0.335SS*.Hα-helixtrans-62.1-45.9176.4178.8-97.1000111.3D4 E5 W6D4-F8 WeakPolarHBondContact O-CB 3.43Å; D4-F8 PolarHBondContact O-N 3.42Å; E5-F8 PolarHBondContact O-N 3.27Å; W6-F8 VanDerWaalsContact C-N 3.31Å; W6-F8 PolarHBondContact O-N 3.43Å
9C90.9Very high92.3Very high33 Ų3369.2 Ų69.222%0.22334%0.344CS..Hα-helixtrans-59.8-54.4178.3-171.20000111.7E5 W6 K11 T12 L16E5-C9 PolarHBondContact O-N 3.41Å; W6-C9 WeakPolarHBondContact O-CB 3.28Å; W6-C9 PolarHBondContact O-N 3.49Å; W6-C9 VanDerWaalsContact O-N 3.14Å; C9-K11 VanDerWaalsContact C-N 3.32Å; C9-K11 PolarHBondContact O-N 3.22Å; C9-T12 PolarHBondContact O-N 3Å; C9-T12 PolarHBondContact O-OG1 3.2Å; C9-L16 HydrophobicContact CB-CD2 4.34Å
10V92Very high92.6Very high0 Ų068.1 Ų68.10%034%0.338CS..Hα-helixtrans-65.9-33.3-175.2-62.80000112.5W6 M7 T12 C13 L16 F55 T91 F92 V95W6-V10 VanDerWaalsContact O-CG2 3.3Å; W6-V10 WeakPolarHBondContact O-CG2 3.02Å; W6-V10 PolarHBondContact O-N 3.29Å; M7-V10 WeakPolarHBondContact O-CG2 3.41Å; V10-T12 PolarHBondContact O-N 2.78Å; V10-T12 VanDerWaalsContact O-N 3.13Å; V10-C13 PolarHBondContact O-N 3.36Å; V10-L16 HydrophobicContact CG1-CD2 4.13Å; V10-L16 HydrophobicContact CG1-CG 4.16Å; V10-F55 WeakPolarHBondContact O-CZ 3.4Å; V10-T91 HydrophobicContact CG1-CG2 3.69Å; V10-F92 HydrophobicContact CB-CB 4.44Å; V10-F92 HydrophobicContact CB-CD2 4.49Å; V10-F92 HydrophobicContact CG2-CB 4.29Å; V10-F92 HydrophobicContact CG2-CD2 3.67Å; V10-F92 HydrophobicContact CG2-CG 4.47Å; V10-V95 HydrophobicContact CG1-CG2 4.49Å; V10-V95 HydrophobicContact CG2-CG2 4.42Å
11K92.7Very high92.8Very high113 Ų11364.9 Ų64.949%0.49132%0.322SS..Hα-helixtrans-60.2-22.7174.4-82.2179.1175.9-179.80113.6M7 C9 C13 F92M7-K11 HydrophobicContact CG-CD 4.18Å; M7-K11 WeakPolarHBondContact O-CB 3.43Å; M7-K11 VanDerWaalsContact O-CG 3.23Å; M7-K11 WeakPolarHBondContact O-CG 3.24Å; M7-K11 PolarHBondContact O-N 3.11Å; M7-K11 VanDerWaalsContact O-N 3.1Å; M7-K11 HydrophobicContact SD-CD 4.31Å; M7-K11 HydrophobicContact SD-CG 4.32Å; C9-K11 VanDerWaalsContact C-N 3.32Å; C9-K11 PolarHBondContact O-N 3.22Å; K11-C13 VanDerWaalsContact C-N 3.25Å; K11-C13 PolarHBondContact O-N 3.3Å; K11-F92 HydrophobicContact CG-CD2 4.39Å; K11-F92 HydrophobicContact CG-CE2 3.73Å
12T91.1Very high93.6Very high70 Ų7064.1 Ų64.143%0.42931%0.313SS..THydrogen-bonded Turntrans-89.116175.1670000113.4C9 V10 K14C9-T12 PolarHBondContact O-N 3Å; C9-T12 PolarHBondContact O-OG1 3.2Å; V10-T12 PolarHBondContact O-N 2.78Å; V10-T12 VanDerWaalsContact O-N 3.13Å; T12-K14 VanDerWaalsContact C-N 3.28Å; T12-K14 PolarHBondContact O-N 2.91Å
13C92Very high94Very high15 Ų1564.5 Ų64.510%0.10131%0.311CS..THydrogen-bonded Turntrans60.236-177.2-162.20000112.8V10 K11 F55 Y85V10-C13 PolarHBondContact O-N 3.36Å; K11-C13 VanDerWaalsContact C-N 3.25Å; K11-C13 PolarHBondContact O-N 3.3Å; C13-F55 HydrophobicContact CB-CD1 3.7Å; C13-F55 HydrophobicContact CB-CE1 3.55Å; C13-F55 HydrophobicContact CB-CZ 4.41Å; C13-F55 VanDerWaalsContact SG-CD1 3.55Å; C13-Y85 WeakPolarHBondContact SG-CD1 3.07Å; C13-Y85 VanDerWaalsContact SG-CE1 3.51Å
14K92Very high94.3Very high126 Ų12662.8 Ų62.855%0.54830%0.302SS..  trans-107.6139.6174-66.4-178.6-177.7178.10109.9T12T12-K14 VanDerWaalsContact C-N 3.28Å; T12-K14 PolarHBondContact O-N 2.91Å
15Y92.2Very high94.6Very high94 Ų9458.2 Ų58.237%0.36928%0.278SS..PPolyproline II helixtrans-83.5151.8170.661.2-90.3000111.4L87 K129 Y130Y15-L87 VanDerWaalsContact CB-CD2 3.46Å; Y15-L87 HydrophobicContact CD1-CD2 4.36Å; Y15-L87 HydrophobicContact CD2-CD2 4.33Å; Y15-L87 HydrophobicContact CG-CD2 3.84Å; Y15-K129 HydrophobicContact CD1-CD 3.98Å; Y15-K129 HydrophobicContact CD1-CG 4.46Å; Y15-K129 HydrophobicContact CE1-CB 4.08Å; Y15-K129 HydrophobicContact CE1-CD 4.14Å; Y15-K129 HydrophobicContact CE1-CG 4.12Å; Y15-K129 HydrophobicContact CE2-CB 4.37Å; Y15-K129 PolarHBondContact OH-O 3.23Å; Y15-Y130 HydrophobicContact CD2-CD1 4.46Å; Y15-Y130 AromaticContact CD2-CE1 3.7Å; Y15-Y130 HydrophobicContact CD2-CE1 3.7Å; Y15-Y130 HydrophobicContact CD2-CE2 4.03Å; Y15-Y130 AromaticContact CD2-CZ 3.45Å; Y15-Y130 VanDerWaalsContact CD2-CZ 3.45Å; Y15-Y130 WeakPolarHBondContact CD2-OH 3.44Å; Y15-Y130 HydrophobicContact CE2-CD1 4.24Å; Y15-Y130 AromaticContact CE2-CE1 3.91Å; Y15-Y130 HydrophobicContact CE2-CE1 3.91Å; Y15-Y130 HydrophobicContact CE2-CE2 4.45Å
16L95.5Very high94.9Very high3 Ų355 Ų552%0.01627%0.269CS..PPolyproline II helixtrans-74.6154.9179.8-62.8178.3000111.1W6 C9 V10 E20 L21 L24 T91 Y130W6-L16 HydrophobicContact CB-CD1 4.41Å; W6-L16 HydrophobicContact CB-CD2 4.14Å; W6-L16 HydrophobicContact CD2-CD1 4.01Å; W6-L16 HydrophobicContact CE3-CD1 4.37Å; W6-L16 HydrophobicContact CG-CD1 4.04Å; W6-L16 HydrophobicContact CG-CD2 3.99Å; C9-L16 HydrophobicContact CB-CD2 4.34Å; V10-L16 HydrophobicContact CG1-CD2 4.13Å; V10-L16 HydrophobicContact CG1-CG 4.16Å; L16-E20 HydrophobicContact CB-CB 4.21Å; L16-L21 HydrophobicContact CB-CB 4.46Å; L16-L24 HydrophobicContact CD1-CD2 4Å; L16-T91 HydrophobicContact CD1-CG2 3.71Å; L16-T91 HydrophobicContact CG-CG2 3.9Å; L16-Y130 VanDerWaalsContact O-CE1 3.24Å; L16-Y130 WeakPolarHBondContact O-CE1 3.22Å; L16-Y130 PolarHBondContact O-OH 2.88Å
17P96Very high95.2Very high85 Ų8558.3 Ų58.355%0.55228%0.282SS*.PPolyproline II helixtrans-55.9147.3166.2-23.834.2000111.6N19 E20 L21P17-N19 VanDerWaalsContact C-N 3.26Å; P17-N19 PolarHBondContact O-N 3.26Å; P17-N19 VanDerWaalsContact O-N 3.11Å; P17-E20 HydrophobicContact CB-CG 4.36Å; P17-E20 HydrophobicContact CG-CG 4.41Å; P17-E20 WeakPolarHBondContact O-CA 3.31Å; P17-E20 WeakPolarHBondContact O-CB 3.32Å; P17-E20 PolarHBondContact O-N 2.91Å; P17-L21 PolarHBondContact O-N 2.84Å
18E97.6Very high95.4Very high50 Ų5057.9 Ų57.923%0.23428%0.28CS..Hα-helixtrans-52.6-41.5-172.8-176.1176.8147.800113E20 L21 R22 Y130 N132 N134 P135 Y138E18-E20 VanDerWaalsContact C-N 3.34Å; E18-E20 PolarHBondContact O-N 3.29Å; E18-L21 PolarHBondContact O-N 2.85Å; E18-R22 WeakPolarHBondContact O-CB 3.5Å; E18-R22 PolarHBondContact O-N 3.25Å; E18-Y130 HydrophobicContact CB-CD1 3.92Å; E18-Y130 HydrophobicContact CB-CE1 4.08Å; E18-N132 PolarHBondContact OE2-ND2 3.47Å; E18-N134 WeakPolarHBondContact OE1-CB 3.33Å; E18-N134 PolarHBondContact OE1-ND2 3.07Å; E18-P135 HydrophobicContact CG-CG 4.36Å; E18-Y138 HydrophobicContact CG-CE2 4.11Å
19N97Very high95.8Very high95 Ų9551.3 Ų51.351%0.50825%0.253SS..Hα-helixtrans-64.8-35.1177.3-83.3-42.1000113.5P17 R22 K23P17-N19 VanDerWaalsContact C-N 3.26Å; P17-N19 PolarHBondContact O-N 3.26Å; P17-N19 VanDerWaalsContact O-N 3.11Å; N19-R22 PolarHBondContact OD1-NH2 2.98Å; N19-K23 VanDerWaalsContact O-CG 3.31Å; N19-K23 WeakPolarHBondContact O-CG 3.34Å; N19-K23 PolarHBondContact O-N 3.11Å
20E97.2Very high96.1Very high47 Ų4755.5 Ų55.522%0.2227%0.27CS..Hα-helixtrans-76.4-40.4177.9-61-55.9113.500110.5W6 L16 P17 E18 R22 K23 L24W6-E20 HydrophobicContact CZ2-CB 3.83Å; W6-E20 HydrophobicContact CZ2-CG 4.42Å; W6-E20 WeakPolarHBondContact CZ2-OE2 3.33Å; W6-E20 PolarHBondContact NE1-OE2 2.86Å; L16-E20 HydrophobicContact CB-CB 4.21Å; P17-E20 HydrophobicContact CB-CG 4.36Å; P17-E20 HydrophobicContact CG-CG 4.41Å; P17-E20 WeakPolarHBondContact O-CA 3.31Å; P17-E20 WeakPolarHBondContact O-CB 3.32Å; P17-E20 PolarHBondContact O-N 2.91Å; E18-E20 VanDerWaalsContact C-N 3.34Å; E18-E20 PolarHBondContact O-N 3.29Å; E20-R22 VanDerWaalsContact C-N 3.32Å; E20-R22 PolarHBondContact O-N 3.14Å; E20-K23 PolarHBondContact O-N 3.26Å; E20-K23 IonicContact OE1-NZ 2.71Å; E20-K23 PolarHBondContact OE1-NZ 2.87Å; E20-K23 IonicContact OE2-NZ 3.9Å; E20-L24 PolarHBondContact O-N 3.29Å
21L98Very high96.4Very high0 Ų057.3 Ų57.30%028%0.279CS..Hα-helixtrans-58.3-44.2171.6177.364.4000111.5L16 P17 E18 K23 L24 C25 L87 T91 Y130 P135L16-L21 HydrophobicContact CB-CB 4.46Å; P17-L21 PolarHBondContact O-N 2.84Å; E18-L21 PolarHBondContact O-N 2.85Å; L21-K23 PolarHBondContact O-N 2.84Å; L21-L24 WeakPolarHBondContact O-CB 3.41Å; L21-L24 PolarHBondContact O-N 3.37Å; L21-C25 PolarHBondContact O-N 2.59Å; L21-C25 PolarHBondContact O-SG 2.89Å; L21-L87 HydrophobicContact CD2-CD1 4.16Å; L21-T91 HydrophobicContact CD1-CG2 4.37Å; L21-Y130 HydrophobicContact CD2-CE2 4.23Å; L21-Y130 WeakPolarHBondContact CD2-OH 3.22Å; L21-P135 HydrophobicContact CD2-CB 3.73Å
22R98.3Very high96.7Very high98 Ų9852 Ų5237%0.3726%0.256SS..Hα-helixtrans-58.5-46.5176.1-177.2175.759.285.8-2.9111.6E18 N19 E20 C25 S26 Y138E18-R22 WeakPolarHBondContact O-CB 3.5Å; E18-R22 PolarHBondContact O-N 3.25Å; N19-R22 PolarHBondContact OD1-NH2 2.98Å; E20-R22 VanDerWaalsContact C-N 3.32Å; E20-R22 PolarHBondContact O-N 3.14Å; R22-C25 PolarHBondContact O-N 2.93Å; R22-S26 PolarHBondContact O-N 2.77Å; R22-S26 PolarHBondContact O-OG 2.92Å; R22-Y138 HydrophobicContact CB-CD2 3.84Å; R22-Y138 HydrophobicContact CB-CE2 3.71Å; R22-Y138 HydrophobicContact CB-CG 4.42Å; R22-Y138 HydrophobicContact CG-CD1 4.35Å; R22-Y138 HydrophobicContact CG-CD2 4.2Å; R22-Y138 HydrophobicContact CG-CE1 4.12Å; R22-Y138 HydrophobicContact CG-CE2 3.95Å; R22-Y138 HydrophobicContact CG-CG 4.4Å
23K98Very high97Very high88 Ų8853.5 Ų53.538%0.38326%0.261SS..Hα-helixtrans-61.5-43.6176.7-72.4169.1-173.7168.50111.6M1 W6 N19 E20 L21 S26 Y27M1-K23 HydrophobicContact CE-CB 4.32Å; W6-K23 HydrophobicContact CH2-CB 4.02Å; W6-K23 HydrophobicContact CZ2-CB 4.42Å; N19-K23 VanDerWaalsContact O-CG 3.31Å; N19-K23 WeakPolarHBondContact O-CG 3.34Å; N19-K23 PolarHBondContact O-N 3.11Å; E20-K23 PolarHBondContact O-N 3.26Å; E20-K23 IonicContact OE1-NZ 2.71Å; E20-K23 PolarHBondContact OE1-NZ 2.87Å; E20-K23 IonicContact OE2-NZ 3.9Å; L21-K23 PolarHBondContact O-N 2.84Å; K23-S26 PolarHBondContact O-N 2.84Å; K23-Y27 WeakPolarHBondContact O-CB 3.45Å; K23-Y27 PolarHBondContact O-N 2.9Å
24L98.2Very high97.2Very high0 Ų060.7 Ų60.70%029%0.292CS..Hα-helixtrans-59.9-49.5176.7176.662.4000111.1W6 L16 E20 L21 S26 Y27 V28 T91 L94 V95 A98W6-L24 HydrophobicContact CE3-CB 4.26Å; W6-L24 HydrophobicContact CE3-CD1 4.04Å; W6-L24 HydrophobicContact CH2-CB 3.89Å; W6-L24 HydrophobicContact CZ3-CB 3.55Å; W6-L24 HydrophobicContact CZ3-CD1 3.7Å; W6-L24 HydrophobicContact CZ3-CG 4.14Å; L16-L24 HydrophobicContact CD1-CD2 4Å; E20-L24 PolarHBondContact O-N 3.29Å; L21-L24 WeakPolarHBondContact O-CB 3.41Å; L21-L24 PolarHBondContact O-N 3.37Å; L24-S26 PolarHBondContact O-N 3.37Å; L24-Y27 PolarHBondContact O-N 3.49Å; L24-V28 HydrophobicContact CD1-CG2 3.96Å; L24-V28 WeakPolarHBondContact O-CG2 3.46Å; L24-V28 PolarHBondContact O-N 3.2Å; L24-T91 HydrophobicContact CD2-CG2 3.79Å; L24-L94 HydrophobicContact CD1-CB 4.32Å; L24-L94 HydrophobicContact CD2-CB 3.86Å; L24-L94 HydrophobicContact CG-CB 4.07Å; L24-V95 HydrophobicContact CD1-CG2 4.13Å; L24-V95 HydrophobicContact CD2-CG2 3.6Å; L24-A98 HydrophobicContact CD1-CB 4.03Å
25C98.6Very high97.5Very high4 Ų455.8 Ų55.83%0.02727%0.272CS..Hα-helixtrans-59.4-47.6178.9-67.40000111.1L21 R22 Y27 V28 S29 V142L21-C25 PolarHBondContact O-N 2.59Å; L21-C25 PolarHBondContact O-SG 2.89Å; R22-C25 PolarHBondContact O-N 2.93Å; C25-Y27 PolarHBondContact O-N 2.84Å; C25-V28 PolarHBondContact O-N 2.97Å; C25-S29 WeakPolarHBondContact O-CB 3.19Å; C25-S29 PolarHBondContact O-N 3.29Å; C25-S29 PolarHBondContact O-OG 3.13Å; C25-V142 HydrophobicContact CB-CG2 3.62Å
26S98.3Very high97.7Very high60 Ų6053.6 Ų53.642%0.4227%0.269SS..Hα-helixtrans-58.5-45.8177.2-660000112.6R22 K23 L24 S29 E30R22-S26 PolarHBondContact O-N 2.77Å; R22-S26 PolarHBondContact O-OG 2.92Å; K23-S26 PolarHBondContact O-N 2.84Å; L24-S26 PolarHBondContact O-N 3.37Å; S26-S29 WeakPolarHBondContact O-CB 3.37Å; S26-S29 PolarHBondContact O-N 3.11Å; S26-E30 WeakPolarHBondContact O-CG 3.26Å; S26-E30 PolarHBondContact O-N 2.86Å; S26-E30 VanDerWaalsContact O-N 3.1Å
27Y98.2Very high97.8Very high79 Ų7954.2 Ų54.231%0.3127%0.273SS..Hα-helixtrans-66.6-42.1179.4-179.3-110.9000112.7M1 K23 L24 C25 S29 E30 L31 A98M1-Y27 HydrophobicContact CE-CD1 4.3Å; M1-Y27 HydrophobicContact CE-CG 3.89Å; M1-Y27 HydrophobicContact SD-CD1 3.86Å; M1-Y27 HydrophobicContact SD-CE1 4.42Å; M1-Y27 HydrophobicContact SD-CG 4.04Å; K23-Y27 WeakPolarHBondContact O-CB 3.45Å; K23-Y27 PolarHBondContact O-N 2.9Å; L24-Y27 PolarHBondContact O-N 3.49Å; C25-Y27 PolarHBondContact O-N 2.84Å; Y27-S29 VanDerWaalsContact C-N 3.33Å; Y27-E30 WeakPolarHBondContact O-CB 3.33Å; Y27-E30 PolarHBondContact O-N 3.38Å; Y27-L31 HydrophobicContact CD1-CD1 4.27Å; Y27-L31 HydrophobicContact CE1-CD1 3.87Å; Y27-L31 PolarHBondContact O-N 3.45Å; Y27-A98 HydrophobicContact CD1-CB 3.76Å; Y27-A98 HydrophobicContact CE1-CB 3.77Å
28V98.5Very high97.9Very high0 Ų050.1 Ų50.10%025%0.246CC..Hα-helixtrans-67.9-35.4176.2177.10000111.4L24 C25 E30 L31 L32 L94 K97 A98 V142L24-V28 HydrophobicContact CD1-CG2 3.96Å; L24-V28 WeakPolarHBondContact O-CG2 3.46Å; L24-V28 PolarHBondContact O-N 3.2Å; C25-V28 PolarHBondContact O-N 2.97Å; V28-E30 VanDerWaalsContact C-N 3.33Å; V28-E30 PolarHBondContact O-N 3.01Å; V28-L31 WeakPolarHBondContact O-CB 3.18Å; V28-L31 PolarHBondContact O-N 3.35Å; V28-L32 HydrophobicContact CG1-CD1 3.84Å; V28-L32 HydrophobicContact CG1-CG 4.03Å; V28-L32 WeakPolarHBondContact O-CB 3.17Å; V28-L32 VanDerWaalsContact O-CG 3.32Å; V28-L32 WeakPolarHBondContact O-CG 3.02Å; V28-L32 PolarHBondContact O-N 2.93Å; V28-L94 HydrophobicContact CB-CD2 4.45Å; V28-L94 HydrophobicContact CG1-CD2 3.86Å; V28-L94 HydrophobicContact CG2-CB 4.23Å; V28-L94 WeakPolarHBondContact CG2-O 3.4Å; V28-K97 HydrophobicContact CG1-CB 4.47Å; V28-K97 HydrophobicContact CG1-CG 3.87Å; V28-A98 HydrophobicContact CG2-CB 4.06Å; V28-V142 HydrophobicContact CG1-CG1 4.3Å
29S98.5Very high98Very high17 Ų1749.3 Ų49.312%0.11924%0.243CC..Hα-helixtrans-58.2-43.2171.9-69.60000112.1C25 S26 Y27 L31 L32 I33 L145C25-S29 WeakPolarHBondContact O-CB 3.19Å; C25-S29 PolarHBondContact O-N 3.29Å; C25-S29 PolarHBondContact O-OG 3.13Å; S26-S29 WeakPolarHBondContact O-CB 3.37Å; S26-S29 PolarHBondContact O-N 3.11Å; Y27-S29 VanDerWaalsContact C-N 3.33Å; S29-L31 VanDerWaalsContact C-N 3.32Å; S29-L31 PolarHBondContact O-N 3.25Å; S29-L32 PolarHBondContact O-N 2.82Å; S29-I33 WeakPolarHBondContact O-CD1 3.5Å; S29-I33 VanDerWaalsContact O-CG1 3.25Å; S29-I33 WeakPolarHBondContact O-CG1 3.3Å; S29-I33 PolarHBondContact O-N 3.48Å; S29-L145 VanDerWaalsContact CB-CD1 3.45Å
30E98.1Very high98Very high121 Ų12149 Ų4957%0.56525%0.246SC*.Hα-helixtrans-58.9-43.1175-70.1167.3-167.600111.6S26 Y27 V28S26-E30 WeakPolarHBondContact O-CG 3.26Å; S26-E30 PolarHBondContact O-N 2.86Å; S26-E30 VanDerWaalsContact O-N 3.1Å; Y27-E30 WeakPolarHBondContact O-CB 3.33Å; Y27-E30 PolarHBondContact O-N 3.38Å; V28-E30 VanDerWaalsContact C-N 3.33Å; V28-E30 PolarHBondContact O-N 3.01Å
31L98.3Very high98.1Very high39 Ų3947.3 Ų47.320%0.20424%0.239CC..Hα-helixtrans-63.7-45.1175.9-64.4172.5000112.1Y27 V28 S29 I33 E34 P101Y27-L31 HydrophobicContact CD1-CD1 4.27Å; Y27-L31 HydrophobicContact CE1-CD1 3.87Å; Y27-L31 PolarHBondContact O-N 3.45Å; V28-L31 WeakPolarHBondContact O-CB 3.18Å; V28-L31 PolarHBondContact O-N 3.35Å; S29-L31 VanDerWaalsContact C-N 3.32Å; S29-L31 PolarHBondContact O-N 3.25Å; L31-I33 VanDerWaalsContact C-N 3.34Å; L31-I33 PolarHBondContact O-N 3.04Å; L31-E34 PolarHBondContact O-N 3.5Å; L31-P101 HydrophobicContact CD1-CB 4.14Å; L31-P101 HydrophobicContact CD2-CB 4.26Å
32L98.4Very high98Very high0 Ų050.4 Ų50.40%026%0.26CS..Hα-helixtrans-70-28.4-176.5-71.3174000112.8V28 S29 E34 E35 V142 L145 L146 R178V28-L32 HydrophobicContact CG1-CD1 3.84Å; V28-L32 HydrophobicContact CG1-CG 4.03Å; V28-L32 WeakPolarHBondContact O-CB 3.17Å; V28-L32 VanDerWaalsContact O-CG 3.32Å; V28-L32 WeakPolarHBondContact O-CG 3.02Å; V28-L32 PolarHBondContact O-N 2.93Å; S29-L32 PolarHBondContact O-N 2.82Å; L32-E34 PolarHBondContact O-N 2.84Å; L32-E35 WeakPolarHBondContact CD2-OE2 3.3Å; L32-E35 PolarHBondContact O-N 3.48Å; L32-V142 HydrophobicContact CD1-CG1 3.77Å; L32-L145 HydrophobicContact CB-CB 3.82Å; L32-L145 HydrophobicContact CD1-CB 4.1Å; L32-L146 HydrophobicContact CD1-CD2 4.06Å; L32-R178 PolarHBondContact O-NH2 3.2Å
33I97.3Very high97.9Very high103 Ų10348.1 Ų48.153%0.52825%0.253SS..Hα-helixtrans-61.6-34175.6-74.9162.4000111.4S29 L31 E35 L145S29-I33 WeakPolarHBondContact O-CD1 3.5Å; S29-I33 VanDerWaalsContact O-CG1 3.25Å; S29-I33 WeakPolarHBondContact O-CG1 3.3Å; S29-I33 PolarHBondContact O-N 3.48Å; L31-I33 VanDerWaalsContact C-N 3.34Å; L31-I33 PolarHBondContact O-N 3.04Å; I33-E35 VanDerWaalsContact C-N 3.32Å; I33-L145 HydrophobicContact CD1-CD1 4.22Å; I33-L145 HydrophobicContact CG1-CD1 3.97Å; I33-L145 HydrophobicContact CG1-CD2 3.75Å; I33-L145 HydrophobicContact CG1-CG 4.47Å
34E96.5Very high97.8Very high165 Ų16546.1 Ų46.177%0.77125%0.249SC*.THydrogen-bonded Turntrans-81.5-10179.3-59.8-62.1140.900113.2L31 L32L31-E34 PolarHBondContact O-N 3.5Å; L32-E34 PolarHBondContact O-N 2.84Å
35E97.7Very high97.7Very high23 Ų2346.1 Ų46.111%0.10725%0.249CC..SBendtrans-85.5139179.4-60.7-158.2133.200112L32 I33 Q39 K97 T147 R178L32-E35 WeakPolarHBondContact CD2-OE2 3.3Å; L32-E35 PolarHBondContact O-N 3.48Å; I33-E35 VanDerWaalsContact C-N 3.32Å; E35-Q39 PolarHBondContact OE1-NE2 2.74Å; E35-K97 IonicContact OE1-NZ 3.29Å; E35-K97 PolarHBondContact OE1-NZ 3.23Å; E35-K97 IonicContact OE2-NZ 3.47Å; E35-K97 PolarHBondContact OE2-NZ 3.49Å; E35-T147 HydrophobicContact CB-CG2 3.72Å; E35-T147 WeakPolarHBondContact OE2-CG2 3.43Å; E35-R178 PolarHBondContact O-NH1 3.17Å; E35-R178 PolarHBondContact O-NH2 3.48Å
36C97Very high97.7Very high48 Ų4845.9 Ų45.932%0.32425%0.248SC..  trans-76.9164175.968.90000111.7V38 Q39 T147 R178C36-V38 VanDerWaalsContact C-N 3.26Å; C36-V38 PolarHBondContact O-N 2.84Å; C36-V38 VanDerWaalsContact SG-C 3.52Å; C36-V38 PolarHBondContact SG-O 2.8Å; C36-Q39 PolarHBondContact SG-OE1 3.12Å; C36-T147 WeakPolarHBondContact O-CG2 3.07Å; C36-R178 PolarHBondContact O-NH1 2.82Å; C36-R178 VanDerWaalsContact O-NH1 3.07Å
37N98.2Very high97.7Very high16 Ų1643 Ų439%0.08623%0.228CC..SBendtrans-66.1-28.3179.9-77.4-9.4000114I148 A149 I173 R174 I176 R178N37-I148 HydrophobicContact CB-CB 4.41Å; N37-I148 HydrophobicContact CB-CD1 4.23Å; N37-I148 HydrophobicContact CB-CG1 4.36Å; N37-I148 PolarHBondContact O-N 3.46Å; N37-A149 PolarHBondContact O-N 2.67Å; N37-A149 VanDerWaalsContact O-O 3.07Å; N37-I173 WeakPolarHBondContact CB-O 3.23Å; N37-I173 PolarHBondContact ND2-O 3.46Å; N37-I173 VanDerWaalsContact ND2-O 3.1Å; N37-R174 PolarHBondContact ND2-O 2.8Å; N37-I176 PolarHBondContact ND2-O 2.98Å; N37-R178 VanDerWaalsContact CA-NH1 3.31Å; N37-R178 VanDerWaalsContact OD1-CD 3.23Å; N37-R178 WeakPolarHBondContact OD1-CD 3.29Å; N37-R178 WeakPolarHBondContact OD1-CG 3.41Å; N37-R178 PolarHBondContact OD1-NH1 2.82Å
38V98.6Very high97.8Very high0 Ų039.3 Ų39.30%021%0.213CC..EExtended strand (participates in β ladder)trans-116.583.2177.9-1750000107.4C36 P40 A149 L151 I173 R174C36-V38 VanDerWaalsContact C-N 3.26Å; C36-V38 PolarHBondContact O-N 2.84Å; C36-V38 VanDerWaalsContact SG-C 3.52Å; C36-V38 PolarHBondContact SG-O 2.8Å; V38-P40 WeakPolarHBondContact O-CD 3.18Å; V38-A149 CarbonylContact C-O 3.55Å; V38-A149 WeakPolarHBondContact CA-O 3.33Å; V38-A149 HydrophobicContact CG1-CB 4.48Å; V38-A149 HydrophobicContact CG2-CB 4.32Å; V38-L151 HydrophobicContact CG1-CB 3.82Å; V38-I173 HydrophobicContact CG2-CB 3.68Å; V38-I173 HydrophobicContact CG2-CG2 3.63Å; V38-R174 HydrophobicContact CB-CG 4.04Å; V38-R174 HydrophobicContact CG2-CG 3.7Å
39Q98.3Very high97.8Very high33 Ų3339.3 Ų39.315%0.15421%0.213CC..EExtended strand (participates in β ladder)trans-72.1121.5-168.8-16965.3-9.900110.8E35 C36 T105 T147 A149 A150 L151E35-Q39 PolarHBondContact OE1-NE2 2.74Å; C36-Q39 PolarHBondContact SG-OE1 3.12Å; Q39-T105 HydrophobicContact CB-CG2 4.05Å; Q39-T105 HydrophobicContact CG-CG2 4.1Å; Q39-T147 HydrophobicContact CB-CG2 4.39Å; Q39-A149 PolarHBondContact N-O 3.06Å; Q39-A150 CarbonylContact O-C 3.53Å; Q39-A150 VanDerWaalsContact O-CA 3.22Å; Q39-A150 WeakPolarHBondContact O-CA 3.29Å; Q39-L151 PolarHBondContact O-N 2.81Å
40P98.3Very high97.8Very high88 Ų8838.6 Ų38.657%0.57121%0.208SC*.EExtended strand (participates in β ladder)trans-70.3134.4176.729-33.6000110.2V38 L151V38-P40 WeakPolarHBondContact O-CD 3.18Å; P40-L151 WeakPolarHBondContact CA-O 3.49Å
41V98.3Very high97.8Very high12 Ų1232.9 Ų32.97%0.07318%0.181CC..EExtended strand (participates in β ladder)trans-131.6135.4178.4-178.20000109.4V45 N72 I74 T105 A150 L151 V152 G153V41-V45 HydrophobicContact CG1-CB 4.28Å; V41-V45 HydrophobicContact CG1-CG2 3.82Å; V41-N72 HydrophobicContact CG1-CB 3.76Å; V41-I74 HydrophobicContact CB-CD1 4.1Å; V41-I74 HydrophobicContact CG1-CD1 4.13Å; V41-I74 HydrophobicContact CG1-CG1 4.33Å; V41-I74 HydrophobicContact CG2-CD1 3.98Å; V41-I74 HydrophobicContact CG2-CG1 4.12Å; V41-T105 HydrophobicContact CG2-CG2 4.43Å; V41-T105 WeakPolarHBondContact CG2-OG1 3.34Å; V41-A150 HydrophobicContact CG2-CB 4.12Å; V41-L151 PolarHBondContact N-O 3.28Å; V41-V152 HydrophobicContact CB-CG2 4.45Å; V41-V152 CarbonylContact O-C 3.46Å; V41-V152 VanDerWaalsContact O-CA 3.26Å; V41-V152 WeakPolarHBondContact O-CA 3.49Å; V41-G153 PolarHBondContact O-N 3.27Å
42S96.7Very high97.7Very high65 Ų6531.2 Ų31.246%0.45517%0.172SC..PPolyproline II helixtrans-88.6158178.373.30000111.7N72S42-N72 PolarHBondContact O-ND2 2.9Å; S42-N72 PolarHBondContact OG-ND2 2.87Å
43F95.8Very high97.6Very high49 Ų4931.2 Ų31.222%0.21517%0.172CC..SBendtrans-71.1158.6162.2-58.3-72.1000110.7V45 V152 F271 P274F43-V45 HydrophobicContact CD1-CG1 4.31Å; F43-V152 HydrophobicContact CD1-CG1 3.69Å; F43-V152 HydrophobicContact CE1-CB 4.36Å; F43-V152 HydrophobicContact CE1-CG1 3.32Å; F43-V152 HydrophobicContact CE2-CG1 4.29Å; F43-V152 HydrophobicContact CG-CG1 4.31Å; F43-V152 HydrophobicContact CZ-CB 4.43Å; F43-V152 HydrophobicContact CZ-CG1 3.65Å; F43-F271 HydrophobicContact CD1-CB 3.94Å; F43-F271 HydrophobicContact CE1-CB 3.72Å; F43-P274 HydrophobicContact CE2-CG 3.81Å; F43-P274 HydrophobicContact CZ-CB 4.41Å; F43-P274 HydrophobicContact CZ-CG 3.85Å
44P95.2Very high97.5Very high46 Ų4626.3 Ų26.330%0.29915%0.147SC..SBendcis-70148.2-1531.9-35.3000111.2R71 N72 F271P44-R71 HydrophobicContact CG-CG 4.43Å; P44-N72 PolarHBondContact O-N 2.85Å; P44-N72 PolarHBondContact O-ND2 2.99Å; P44-F271 WeakPolarHBondContact CA-O 3.27Å
45V97.7Very high97.4Very high0 Ų018.5 Ų18.50%011%0.111CC..EExtended strand (participates in β ladder)trans-136.4143.3178.567.30000111.6V41 F43 I47 N72 I74 V152 E270 F271V41-V45 HydrophobicContact CG1-CB 4.28Å; V41-V45 HydrophobicContact CG1-CG2 3.82Å; F43-V45 HydrophobicContact CD1-CG1 4.31Å; V45-I47 HydrophobicContact CG1-CG1 4.28Å; V45-I47 HydrophobicContact CG2-CG1 4.45Å; V45-N72 CarbonylContact C-O 3.08Å; V45-N72 WeakPolarHBondContact CA-O 3.3Å; V45-N72 HydrophobicContact CB-CB 4.17Å; V45-N72 HydrophobicContact CG2-CB 3.97Å; V45-I74 HydrophobicContact CG2-CD1 3.84Å; V45-I74 HydrophobicContact CG2-CG1 3.92Å; V45-V152 HydrophobicContact CB-CG1 4.35Å; V45-V152 HydrophobicContact CG1-CB 4.39Å; V45-V152 HydrophobicContact CG1-CG1 3.46Å; V45-V152 VanDerWaalsContact CG1-CG1 3.46Å; V45-V152 HydrophobicContact CG1-CG2 4.06Å; V45-E270 WeakPolarHBondContact O-CA 3.12Å; V45-F271 HydrophobicContact CG1-CB 3.92Å; V45-F271 PolarHBondContact N-O 3.18Å; V45-F271 VanDerWaalsContact N-O 3.08Å; V45-F271 PolarHBondContact O-N 2.97Å
46T98.2Very high97.3Very high0 Ų019.4 Ų19.40%011%0.114CC..EExtended strand (participates in β ladder)trans-102.1123.5166.3-52.60000108.8G65 R71 N72 Y73 I74 I268 L269T46-G65 PolarHBondContact OG1-O 2.87Å; T46-R71 WeakPolarHBondContact OG1-CD 3.14Å; T46-R71 VanDerWaalsContact OG1-CZ 3.28Å; T46-R71 PolarHBondContact OG1-NE 3.23Å; T46-R71 PolarHBondContact OG1-NH1 3.32Å; T46-N72 PolarHBondContact N-O 2.87Å; T46-Y73 HydrophobicContact CG2-CD1 3.93Å; T46-Y73 HydrophobicContact CG2-CE1 3.66Å; T46-Y73 CarbonylContact O-C 3.57Å; T46-Y73 WeakPolarHBondContact O-CA 3.43Å; T46-I74 PolarHBondContact O-N 3.11Å; T46-I268 HydrophobicContact CG2-CB 3.93Å; T46-I268 HydrophobicContact CG2-CD1 3.87Å; T46-I268 HydrophobicContact CG2-CG1 4.19Å; T46-I268 HydrophobicContact CG2-CG2 4.48Å; T46-L269 WeakPolarHBondContact CA-O 3.48Å
47I98.5Very high97.3Very high0 Ų017.2 Ų17.20%010%0.099CC..EExtended strand (participates in β ladder)trans-102.8128.3176.2-52.5173.6000108.7V45 I74 M76 V152 C231 I252 L269 F271V45-I47 HydrophobicContact CG1-CG1 4.28Å; V45-I47 HydrophobicContact CG2-CG1 4.45Å; I47-I74 HydrophobicContact CG1-CD1 4.4Å; I47-M76 HydrophobicContact CG2-CE 3.68Å; I47-M76 HydrophobicContact CG2-CG 4Å; I47-M76 HydrophobicContact CG2-SD 3.57Å; I47-M76 VanDerWaalsContact CG2-SD 3.57Å; I47-V152 HydrophobicContact CD1-CG2 4.48Å; I47-C231 HydrophobicContact CD1-CB 4.17Å; I47-C231 HydrophobicContact CG2-CB 4.36Å; I47-I252 HydrophobicContact CB-CD1 3.96Å; I47-I252 HydrophobicContact CG2-CD1 3.65Å; I47-L269 PolarHBondContact N-O 3.34Å; I47-L269 PolarHBondContact O-N 3.1Å; I47-L269 VanDerWaalsContact O-N 3.07Å; I47-F271 HydrophobicContact CD1-CD2 3.63Å; I47-F271 HydrophobicContact CD1-CE2 3.63Å; I47-F271 HydrophobicContact CD1-CG 4.45Å; I47-F271 HydrophobicContact CD1-CZ 4.43Å; I47-F271 HydrophobicContact CG1-CD2 4.25Å
48C98.6Very high97.2Very high0 Ų016.6 Ų16.60%010%0.095CC..EExtended strand (participates in β ladder)trans-119.5133-176.6-51.70000109.5L61 I74 F75 M76 I268C48-L61 HydrophobicContact CB-CD1 4.1Å; C48-I74 PolarHBondContact N-O 3.07Å; C48-F75 HydrophobicContact CB-CD1 3.59Å; C48-F75 HydrophobicContact CB-CE1 3.74Å; C48-F75 HydrophobicContact CB-CG 4.25Å; C48-M76 WeakPolarHBondContact O-CB 3.28Å; C48-M76 WeakPolarHBondContact O-CG 3.09Å; C48-M76 PolarHBondContact O-N 2.92Å; C48-I268 HydrophobicContact CB-CG2 4.23Å
49G98.5Very high97Very high0 Ų018.1 Ų18.10%010%0.103CC..  trans-84.7-153.1172.100000112.3S254G49-S254 PolarHBondContact N-OG 3.28Å
50D98.7Very high96.8Very high2 Ų218.4 Ų18.41%0.01110%0.104CC..BIsolated β-bridgetrans-57.6142.6-177-5718.5000112.2H52 D78 H160 A233 H234 W253 S254 A255D50-H52 IonicContact OD2-NE2 3.08Å; D50-D78 HydrophobicContact CB-CB 4.02Å; D50-H160 IonicContact OD1-CE1 2.74Å; D50-H160 IonicContact OD1-ND1 3.44Å; D50-A233 WeakPolarHBondContact OD1-CB 3.12Å; D50-H234 PolarHBondContact OD1-N 3.45Å; D50-H234 WeakPolarHBondContact OD2-CA 3.46Å; D50-H234 PolarHBondContact OD2-N 3.29Å; D50-W253 HydrophobicContact CB-CE3 4.2Å; D50-W253 HydrophobicContact CB-CH2 4.02Å; D50-W253 HydrophobicContact CB-CZ2 4.37Å; D50-W253 HydrophobicContact CB-CZ3 3.94Å; D50-W253 VanDerWaalsContact OD2-CH2 3.31Å; D50-W253 WeakPolarHBondContact OD2-CH2 3.34Å; D50-W253 WeakPolarHBondContact OD2-CZ3 3.43Å; D50-S254 CarbonylContact O-C 3.54Å; D50-S254 WeakPolarHBondContact O-CA 3.42Å; D50-S254 WeakPolarHBondContact O-CB 3.14Å; D50-S254 PolarHBondContact O-N 3.21Å; D50-A255 WeakPolarHBondContact O-CB 3.44Å; D50-A255 PolarHBondContact O-N 3.43Å; D50-A255 VanDerWaalsContact O-N 3.12Å
51I98.2Very high96.8Very high2 Ų214.2 Ų14.21%0.018%0.077CC..  trans-119.8-37.2-178.4-53.1-61.6000112G53 Q54 L58 L61 F75 D78 T89I51-G53 PolarHBondContact O-N 2.95Å; I51-Q54 WeakPolarHBondContact O-CB 3.34Å; I51-Q54 PolarHBondContact O-N 3.08Å; I51-Q54 VanDerWaalsContact O-N 3.12Å; I51-L58 HydrophobicContact CD1-CD1 4.13Å; I51-L58 HydrophobicContact CG2-CB 4.01Å; I51-L58 HydrophobicContact CG2-CD1 4.44Å; I51-L58 HydrophobicContact CG2-CD2 4.3Å; I51-L58 HydrophobicContact CG2-CG 4.49Å; I51-L61 HydrophobicContact CD1-CD1 3.78Å; I51-F75 HydrophobicContact CD1-CD1 4.41Å; I51-F75 HydrophobicContact CD1-CE1 4.47Å; I51-F75 HydrophobicContact CG1-CD1 4.34Å; I51-D78 PolarHBondContact N-O 3.04Å; I51-T89 HydrophobicContact CB-CG2 4.35Å; I51-T89 HydrophobicContact CG2-CG2 3.52Å
52H97.2Very high96.6Very high3 Ų315 Ų151%0.0148%0.08CC..THydrogen-bonded Turntrans47.156.3172.3-77.7-54.6000114.2D50 Q54 D78 V80 D81 R82 G83 H111 Y258D50-H52 IonicContact OD2-NE2 3.08Å; H52-Q54 PolarHBondContact O-N 2.88Å; H52-D78 IonicContact CE1-OD2 3.05Å; H52-D78 PolarHBondContact CE1-OD2 3.12Å; H52-D78 PolarHBondContact N-O 3.03Å; H52-D78 IonicContact NE2-OD2 3.99Å; H52-V80 PolarHBondContact ND1-O 2.85Å; H52-D81 CarbonylContact C-O 3.48Å; H52-D81 VanDerWaalsContact CA-O 3.23Å; H52-D81 WeakPolarHBondContact CA-O 2.96Å; H52-D81 WeakPolarHBondContact CB-O 3.31Å; H52-R82 HydrophobicContact CB-CB 4.01Å; H52-G83 WeakPolarHBondContact O-CA 3.37Å; H52-G83 PolarHBondContact O-N 2.87Å; H52-G83 VanDerWaalsContact O-N 3.16Å; H52-H111 AromaticContact CE1-CD2 3.61Å; H52-H111 AromaticContact CE1-CE1 3.98Å; H52-H111 AromaticContact CE1-CG 3.88Å; H52-H111 AromaticContact CE1-NE2 3.7Å; H52-Y258 HydrophobicContact CB-CE2 3.93Å; H52-Y258 AromaticContact CD2-CE2 3.21Å; H52-Y258 WeakPolarHBondContact CD2-CE2 3.25Å; H52-Y258 AromaticContact CD2-CZ 3.74Å; H52-Y258 AromaticContact CG-CE2 3.72Å; H52-Y258 AromaticContact NE2-CE2 3.85Å; H52-Y258 AromaticContact NE2-CZ 3.88Å; H52-Y258 PolarHBondContact NE2-OH 3.4Å
53G95.5Very high96.5Very high0 Ų020.1 Ų20.10%09%0.089CC..THydrogen-bonded Turntrans60.814.6175.200000115.6I51 F55 F79 Y85 T89I51-G53 PolarHBondContact O-N 2.95Å; G53-F55 VanDerWaalsContact C-N 3.25Å; G53-F55 PolarHBondContact O-N 3.05Å; G53-F79 PolarHBondContact N-O 2.87Å; G53-Y85 CarbonylContact O-C 3.56Å; G53-Y85 WeakPolarHBondContact O-CA 3.14Å; G53-Y85 WeakPolarHBondContact O-CB 3.39Å; G53-Y85 PolarHBondContact O-N 2.82Å; G53-T89 WeakPolarHBondContact CA-OG1 3.37Å
54Q95Very high96.4Very high1 Ų124.8 Ų24.81%0.00511%0.105CC..  trans-85.363.9177.7-66.8-168.7-12600111.3I51 H52 Y56 D57 L58 P256 Y260I51-Q54 WeakPolarHBondContact O-CB 3.34Å; I51-Q54 PolarHBondContact O-N 3.08Å; I51-Q54 VanDerWaalsContact O-N 3.12Å; H52-Q54 PolarHBondContact O-N 2.88Å; Q54-Y56 VanDerWaalsContact C-N 3.35Å; Q54-Y56 PolarHBondContact O-N 3.33Å; Q54-D57 HydrophobicContact CB-CB 4.13Å; Q54-D57 WeakPolarHBondContact CB-OD2 3.42Å; Q54-D57 PolarHBondContact NE2-OD2 2.78Å; Q54-D57 WeakPolarHBondContact O-CB 3.32Å; Q54-D57 PolarHBondContact O-N 3.08Å; Q54-L58 PolarHBondContact O-N 2.67Å; Q54-P256 PolarHBondContact NE2-O 3.14Å; Q54-Y260 HydrophobicContact CG-CE1 4.14Å
55F95.7Very high96.2Very high0 Ų022.6 Ų22.60%09%0.091CC..Hα-helixtrans-50.8-45.6-170.9178-96.3000114.7V10 C13 G53 D57 L58 L59 Y85 E88 T89 F92V10-F55 WeakPolarHBondContact O-CZ 3.4Å; C13-F55 HydrophobicContact CB-CD1 3.7Å; C13-F55 HydrophobicContact CB-CE1 3.55Å; C13-F55 HydrophobicContact CB-CZ 4.41Å; C13-F55 VanDerWaalsContact SG-CD1 3.55Å; G53-F55 VanDerWaalsContact C-N 3.25Å; G53-F55 PolarHBondContact O-N 3.05Å; F55-D57 VanDerWaalsContact C-N 3.3Å; F55-D57 PolarHBondContact O-N 2.84Å; F55-L58 WeakPolarHBondContact O-CB 3.42Å; F55-L58 PolarHBondContact O-N 2.89Å; F55-L59 HydrophobicContact CD1-CD1 4.31Å; F55-L59 HydrophobicContact CD1-CG 4.49Å; F55-L59 HydrophobicContact CE1-CD1 3.54Å; F55-L59 HydrophobicContact CE1-CD2 4.45Å; F55-L59 HydrophobicContact CE1-CG 3.95Å; F55-L59 HydrophobicContact CZ-CD1 3.9Å; F55-L59 HydrophobicContact CZ-CD2 4.03Å; F55-L59 HydrophobicContact CZ-CG 4.02Å; F55-L59 PolarHBondContact O-N 3.47Å; F55-Y85 HydrophobicContact CB-CD2 4.35Å; F55-Y85 HydrophobicContact CB-CG 4.1Å; F55-E88 HydrophobicContact CD2-CB 3.91Å; F55-E88 HydrophobicContact CE2-CB 4.33Å; F55-E88 HydrophobicContact CG-CB 4.3Å; F55-T89 WeakPolarHBondContact CA-OG1 3.32Å; F55-T89 PolarHBondContact N-OG1 2.71Å; F55-F92 HydrophobicContact CE2-CB 3.94Å; F55-F92 HydrophobicContact CE2-CD1 4.43Å; F55-F92 HydrophobicContact CE2-CG 4.13Å
56Y95.5Very high95.7Very high43 Ų4323.7 Ų23.717%0.16910%0.102CC..Hα-helixtrans-65.4-35.2-179.9-67.2-77.4000112.5Q54 L59 Q60 Y85 R290 S291Q54-Y56 VanDerWaalsContact C-N 3.35Å; Q54-Y56 PolarHBondContact O-N 3.33Å; Y56-L59 PolarHBondContact O-N 2.7Å; Y56-Q60 PolarHBondContact O-N 3.08Å; Y56-Y85 HydrophobicContact CD2-CD2 4.34Å; Y56-Y85 HydrophobicContact CD2-CE2 4.07Å; Y56-Y85 HydrophobicContact CE2-CD2 4.21Å; Y56-Y85 AromaticContact CE2-CE2 3.63Å; Y56-Y85 HydrophobicContact CE2-CE2 3.63Å; Y56-Y85 AromaticContact CE2-CZ 3.93Å; Y56-R290 HydrophobicContact CD2-CB 3.86Å; Y56-R290 HydrophobicContact CD2-CG 3.68Å; Y56-R290 HydrophobicContact CE2-CB 3.89Å; Y56-R290 HydrophobicContact CE2-CG 4.24Å; Y56-R290 HydrophobicContact CG-CB 4.39Å; Y56-R290 HydrophobicContact CG-CG 3.87Å; Y56-S291 WeakPolarHBondContact OH-CB 3.35Å; Y56-S291 PolarHBondContact OH-N 2.98Å; Y56-S291 VanDerWaalsContact OH-N 3.07Å; Y56-S291 PolarHBondContact OH-OG 3.46Å
57D96.1Very high95.3Very high2 Ų231.5 Ų31.51%0.01114%0.136CC..Hα-helixtrans-73.3-34176.9-54.1-45.2000110.5Q54 F55 L59 Q60 L61 P256 V285 R290Q54-D57 HydrophobicContact CB-CB 4.13Å; Q54-D57 WeakPolarHBondContact CB-OD2 3.42Å; Q54-D57 PolarHBondContact NE2-OD2 2.78Å; Q54-D57 WeakPolarHBondContact O-CB 3.32Å; Q54-D57 PolarHBondContact O-N 3.08Å; F55-D57 VanDerWaalsContact C-N 3.3Å; F55-D57 PolarHBondContact O-N 2.84Å; D57-L59 VanDerWaalsContact C-N 3.3Å; D57-L59 PolarHBondContact O-N 3.47Å; D57-Q60 WeakPolarHBondContact O-CB 3.43Å; D57-Q60 PolarHBondContact O-N 2.74Å; D57-Q60 VanDerWaalsContact O-N 3.11Å; D57-L61 PolarHBondContact O-N 2.77Å; D57-P256 HydrophobicContact CB-CG 3.72Å; D57-V285 WeakPolarHBondContact OD1-CG2 3.44Å; D57-V285 PolarHBondContact OD1-N 3.42Å; D57-R290 VanDerWaalsContact CG-NH2 3.26Å; D57-R290 IonicContact OD1-CZ 3.12Å; D57-R290 IonicContact OD1-NH2 3.32Å; D57-R290 PolarHBondContact OD1-NH2 3.18Å; D57-R290 IonicContact OD2-CZ 2.67Å; D57-R290 IonicContact OD2-NH2 3.98Å; D57-R290 PolarHBondContact OD2-NH2 3.19Å
58L96.8Very high95Very high2 Ų232.9 Ų32.91%0.0114%0.143CC..Hα-helixtrans-60.3-38.3169.1178.260.3000112.1I51 Q54 F55 Q60 L61 F62 F75 T89 F92 L93I51-L58 HydrophobicContact CD1-CD1 4.13Å; I51-L58 HydrophobicContact CG2-CB 4.01Å; I51-L58 HydrophobicContact CG2-CD1 4.44Å; I51-L58 HydrophobicContact CG2-CD2 4.3Å; I51-L58 HydrophobicContact CG2-CG 4.49Å; Q54-L58 PolarHBondContact O-N 2.67Å; F55-L58 WeakPolarHBondContact O-CB 3.42Å; F55-L58 PolarHBondContact O-N 2.89Å; L58-Q60 VanDerWaalsContact C-N 3.34Å; L58-L61 HydrophobicContact CD1-CD1 4.23Å; L58-L61 HydrophobicContact CD1-CD2 4.44Å; L58-L61 WeakPolarHBondContact O-CB 3.5Å; L58-L61 PolarHBondContact O-N 2.67Å; L58-F62 HydrophobicContact CD1-CD2 4.09Å; L58-F62 HydrophobicContact CD1-CE2 3.75Å; L58-F62 HydrophobicContact CG-CD2 4.29Å; L58-F62 HydrophobicContact CG-CE2 4.14Å; L58-F62 WeakPolarHBondContact O-CD2 3.33Å; L58-F62 PolarHBondContact O-N 3.04Å; L58-F62 VanDerWaalsContact O-N 3.14Å; L58-F75 HydrophobicContact CD1-CE1 3.67Å; L58-F75 HydrophobicContact CD1-CZ 4.22Å; L58-T89 HydrophobicContact CD2-CG2 3.8Å; L58-F92 HydrophobicContact CD2-CD1 3.68Å; L58-F92 HydrophobicContact CD2-CE1 4.21Å; L58-F92 HydrophobicContact CG-CD1 4.23Å; L58-F92 HydrophobicContact CG-CE1 4.27Å; L58-L93 HydrophobicContact CD1-CD2 4.44Å; L58-L93 HydrophobicContact CD2-CD2 4.07Å; L58-L93 HydrophobicContact CD2-CG 4.12Å
59L95.1Very high94.6Very high32 Ų3235.9 Ų35.917%0.16816%0.163CC..Hα-helixtrans-66-36.6173.6-65.2-175.2000112.2F55 Y56 D57 F62 R63 F92F55-L59 HydrophobicContact CD1-CD1 4.31Å; F55-L59 HydrophobicContact CD1-CG 4.49Å; F55-L59 HydrophobicContact CE1-CD1 3.54Å; F55-L59 HydrophobicContact CE1-CD2 4.45Å; F55-L59 HydrophobicContact CE1-CG 3.95Å; F55-L59 HydrophobicContact CZ-CD1 3.9Å; F55-L59 HydrophobicContact CZ-CD2 4.03Å; F55-L59 HydrophobicContact CZ-CG 4.02Å; F55-L59 PolarHBondContact O-N 3.47Å; Y56-L59 PolarHBondContact O-N 2.7Å; D57-L59 VanDerWaalsContact C-N 3.3Å; D57-L59 PolarHBondContact O-N 3.47Å; L59-F62 PolarHBondContact O-N 3.09Å; L59-R63 WeakPolarHBondContact O-CG 3.44Å; L59-R63 PolarHBondContact O-N 3.09Å; L59-F92 HydrophobicContact CD2-CE1 3.97Å; L59-F92 HydrophobicContact CD2-CE2 4.41Å; L59-F92 HydrophobicContact CD2-CZ 3.85Å
60Q94.2Very high94.2Very high39 Ų3942.1 Ų42.118%0.18220%0.196CC..Hα-helixtrans-67.1-38.7173.1-64.7-64.8-0.900112.2Y56 D57 L58 F62 R63 R64 F282 V285Y56-Q60 PolarHBondContact O-N 3.08Å; D57-Q60 WeakPolarHBondContact O-CB 3.43Å; D57-Q60 PolarHBondContact O-N 2.74Å; D57-Q60 VanDerWaalsContact O-N 3.11Å; L58-Q60 VanDerWaalsContact C-N 3.34Å; Q60-F62 VanDerWaalsContact C-N 3.29Å; Q60-F62 PolarHBondContact O-N 3.44Å; Q60-R63 VanDerWaalsContact CD-NH1 3.26Å; Q60-R63 WeakPolarHBondContact O-CA 3.38Å; Q60-R63 WeakPolarHBondContact O-CB 3.46Å; Q60-R63 PolarHBondContact O-N 2.87Å; Q60-R63 VanDerWaalsContact OE1-NH1 3.14Å; Q60-R64 WeakPolarHBondContact O-CG 3.45Å; Q60-R64 PolarHBondContact O-N 2.72Å; Q60-F282 HydrophobicContact CB-CD2 4.36Å; Q60-V285 HydrophobicContact CB-CG2 4.41Å; Q60-V285 HydrophobicContact CG-CG2 3.17Å
61L96.3Very high94Very high0 Ų043.6 Ų43.60%020%0.201CC..Hα-helixtrans-53.4-48173.3179.2163.5000110.5C48 I51 D57 L58 R63 R64 G65 Y73 F75 I268 F282C48-L61 HydrophobicContact CB-CD1 4.1Å; I51-L61 HydrophobicContact CD1-CD1 3.78Å; D57-L61 PolarHBondContact O-N 2.77Å; L58-L61 HydrophobicContact CD1-CD1 4.23Å; L58-L61 HydrophobicContact CD1-CD2 4.44Å; L58-L61 WeakPolarHBondContact O-CB 3.5Å; L58-L61 PolarHBondContact O-N 2.67Å; L61-R63 VanDerWaalsContact C-N 3.32Å; L61-R63 PolarHBondContact O-N 3.27Å; L61-R64 PolarHBondContact O-N 2.83Å; L61-R64 VanDerWaalsContact O-N 3.16Å; L61-G65 PolarHBondContact O-N 3.43Å; L61-Y73 HydrophobicContact CD2-CE1 4.07Å; L61-F75 HydrophobicContact CD1-CE1 4.39Å; L61-F75 HydrophobicContact CD2-CE1 4.29Å; L61-F75 HydrophobicContact CD2-CZ 4.34Å; L61-I268 HydrophobicContact CD1-CG2 3.58Å; L61-I268 HydrophobicContact CD2-CD1 4.42Å; L61-I268 HydrophobicContact CD2-CG2 4.11Å; L61-I268 HydrophobicContact CG-CD1 4.26Å; L61-I268 HydrophobicContact CG-CG2 3.52Å; L61-F282 HydrophobicContact CB-CE1 4.38Å; L61-F282 HydrophobicContact CB-CE2 4.32Å; L61-F282 HydrophobicContact CB-CZ 3.87Å; L61-F282 HydrophobicContact CD1-CZ 4.28Å; L61-F282 HydrophobicContact CG-CZ 4.27Å
62F95.4Very high93.9Very high30 Ų3043.9 Ų43.913%0.13220%0.203CC..Hα-helixtrans-65.8-30.1175.5-82.2-72.5000113.8L58 L59 Q60 R64 G66 L68 Y73 F75 F92 L96L58-F62 HydrophobicContact CD1-CD2 4.09Å; L58-F62 HydrophobicContact CD1-CE2 3.75Å; L58-F62 HydrophobicContact CG-CD2 4.29Å; L58-F62 HydrophobicContact CG-CE2 4.14Å; L58-F62 WeakPolarHBondContact O-CD2 3.33Å; L58-F62 PolarHBondContact O-N 3.04Å; L58-F62 VanDerWaalsContact O-N 3.14Å; L59-F62 PolarHBondContact O-N 3.09Å; Q60-F62 VanDerWaalsContact C-N 3.29Å; Q60-F62 PolarHBondContact O-N 3.44Å; F62-R64 VanDerWaalsContact C-N 3.3Å; F62-G66 VanDerWaalsContact O-O 3.11Å; F62-L68 HydrophobicContact CE1-CD1 3.88Å; F62-Y73 HydrophobicContact CD1-CE1 4.01Å; F62-Y73 HydrophobicContact CD1-CE2 4.3Å; F62-Y73 AromaticContact CD1-CZ 3.7Å; F62-Y73 WeakPolarHBondContact CD1-OH 3.14Å; F62-Y73 HydrophobicContact CE1-CD1 4.12Å; F62-Y73 HydrophobicContact CE1-CD2 4.36Å; F62-Y73 AromaticContact CE1-CE1 3.78Å; F62-Y73 HydrophobicContact CE1-CE1 3.78Å; F62-Y73 HydrophobicContact CE1-CE2 4.04Å; F62-Y73 HydrophobicContact CE1-CG 4.36Å; F62-Y73 AromaticContact CE1-CZ 3.69Å; F62-F75 HydrophobicContact CE1-CZ 4.21Å; F62-F75 AromaticContact CE2-CZ 3.81Å; F62-F75 HydrophobicContact CE2-CZ 3.81Å; F62-F75 AromaticContact CZ-CE2 3.88Å; F62-F75 HydrophobicContact CZ-CE2 3.88Å; F62-F75 AromaticContact CZ-CZ 3.41Å; F62-F75 HydrophobicContact CZ-CZ 3.41Å; F62-F75 VanDerWaalsContact CZ-CZ 3.41Å; F62-F92 AromaticContact CD2-CE1 3.67Å; F62-F92 HydrophobicContact CD2-CE1 3.67Å; F62-F92 HydrophobicContact CD2-CZ 4.17Å; F62-F92 HydrophobicContact CE2-CD1 4.35Å; F62-F92 AromaticContact CE2-CE1 3.47Å; F62-F92 HydrophobicContact CE2-CE1 3.47Å; F62-F92 VanDerWaalsContact CE2-CE1 3.47Å; F62-F92 HydrophobicContact CE2-CZ 4.19Å; F62-F92 HydrophobicContact CZ-CE1 4.43Å; F62-L96 HydrophobicContact CE1-CD1 4.19Å; F62-L96 HydrophobicContact CE2-CD1 3.7Å; F62-L96 HydrophobicContact CZ-CD1 3.37Å
63R93.5Very high94Very high171 Ų17143.8 Ų43.865%0.64520%0.202SC*.Hα-helixtrans-68-31.4173.5-69.3167.3-178.5174.31.9112.1L59 Q60 L61L59-R63 WeakPolarHBondContact O-CG 3.44Å; L59-R63 PolarHBondContact O-N 3.09Å; Q60-R63 VanDerWaalsContact CD-NH1 3.26Å; Q60-R63 WeakPolarHBondContact O-CA 3.38Å; Q60-R63 WeakPolarHBondContact O-CB 3.46Å; Q60-R63 PolarHBondContact O-N 2.87Å; Q60-R63 VanDerWaalsContact OE1-NH1 3.14Å; L61-R63 VanDerWaalsContact C-N 3.32Å; L61-R63 PolarHBondContact O-N 3.27Å
64R94Very high94.2Very high148 Ų14843.8 Ų43.856%0.55820%0.202SC*.Hα-helixtrans-86.4-40.3178.9-64.2-67.1-176179.91.9113Q60 L61 F62 G66 I268 K280 F282Q60-R64 WeakPolarHBondContact O-CG 3.45Å; Q60-R64 PolarHBondContact O-N 2.72Å; L61-R64 PolarHBondContact O-N 2.83Å; L61-R64 VanDerWaalsContact O-N 3.16Å; F62-R64 VanDerWaalsContact C-N 3.3Å; R64-G66 VanDerWaalsContact C-N 3.28Å; R64-G66 PolarHBondContact O-N 3.48Å; R64-I268 HydrophobicContact CB-CD1 4.16Å; R64-K280 HydrophobicContact CB-CB 4.44Å; R64-F282 HydrophobicContact CG-CB 4.1Å
65G90.7Very high94.3Very high0 Ų043.7 Ų43.70%020%0.202CC..SBendtrans-86.113.5-172.800000115.2T46 L61 R71 Y73T46-G65 PolarHBondContact OG1-O 2.87Å; L61-G65 PolarHBondContact O-N 3.43Å; G65-R71 VanDerWaalsContact C-CZ 3.44Å; G65-R71 PolarHBondContact O-NE 2.75Å; G65-R71 VanDerWaalsContact O-NE 3.16Å; G65-R71 PolarHBondContact O-NH1 2.85Å; G65-R71 PolarHBondContact O-NH2 3.07Å; G65-Y73 VanDerWaalsContact O-CZ 3.29Å; G65-Y73 PolarHBondContact O-OH 2.79Å
66G89Confident94.5Very high22 Ų2243.7 Ų43.723%0.22720%0.202CC..  trans76.8-175.7177.700000116.4F62 R64 Y73F62-G66 VanDerWaalsContact O-O 3.11Å; R64-G66 VanDerWaalsContact C-N 3.28Å; R64-G66 PolarHBondContact O-N 3.48Å; G66-Y73 PolarHBondContact O-OH 3.42Å
67K88.7Confident94.6Very high165 Ų16541.7 Ų41.772%0.71719%0.194SC*.  trans-100.5139.4-168.2-64.4-179-178.6176.70111.6D70K67-D70 PolarHBondContact O-N 3.34Å
68L91.4Very high94.7Very high29 Ų2941.7 Ų41.715%0.15219%0.194CC..THydrogen-bonded Turntrans-78.1146.9161-70.7158.5000109.7F62 R71 Y73 L96 Y100 R103 I104F62-L68 HydrophobicContact CE1-CD1 3.88Å; L68-R71 WeakPolarHBondContact CD2-O 3.22Å; L68-Y73 HydrophobicContact CD2-CD2 3.85Å; L68-Y73 HydrophobicContact CD2-CE2 4.19Å; L68-Y73 HydrophobicContact CG-CD2 4.21Å; L68-Y73 HydrophobicContact CG-CE2 4.11Å; L68-L96 HydrophobicContact CD1-CD2 3.68Å; L68-Y100 HydrophobicContact CB-CD2 4.17Å; L68-Y100 HydrophobicContact CB-CE2 4.01Å; L68-Y100 HydrophobicContact CD1-CD2 4.11Å; L68-Y100 HydrophobicContact CD1-CE2 4.35Å; L68-R103 HydrophobicContact CD2-CB 3.92Å; L68-I104 HydrophobicContact CD1-CD1 3.78Å; L68-I104 HydrophobicContact CD2-CD1 3.77Å; L68-I104 HydrophobicContact CG-CD1 4.41Å
69P90.4Very high94.8Very high62 Ų6241.6 Ų41.640%0.40319%0.194SC..THydrogen-bonded Turncis-93.413.83.237.5-35.5000114.8R71 Y100 R103P69-R71 PolarHBondContact O-N 3Å; P69-Y100 HydrophobicContact CB-CD1 3.86Å; P69-Y100 HydrophobicContact CB-CE1 3.89Å; P69-Y100 HydrophobicContact CG-CE1 4.28Å; P69-R103 HydrophobicContact CB-CG 4.36Å; P69-R103 PolarHBondContact O-NE 2.97Å
70D90.9Very high95Very high131 Ų13140 Ų4070%0.70119%0.186SC*.SBendtrans-69.4-4.6-171.2-57.1-28000114K67K67-D70 PolarHBondContact O-N 3.34Å
71R93.6Very high95.1Very high33 Ų3338.2 Ų38.213%0.12518%0.177CC..SBendtrans-152.3155-178173.8156.947.2159.9-28.1112P44 T46 G65 L68 P69 E270P44-R71 HydrophobicContact CG-CG 4.43Å; T46-R71 WeakPolarHBondContact OG1-CD 3.14Å; T46-R71 VanDerWaalsContact OG1-CZ 3.28Å; T46-R71 PolarHBondContact OG1-NE 3.23Å; T46-R71 PolarHBondContact OG1-NH1 3.32Å; G65-R71 VanDerWaalsContact C-CZ 3.44Å; G65-R71 PolarHBondContact O-NE 2.75Å; G65-R71 VanDerWaalsContact O-NE 3.16Å; G65-R71 PolarHBondContact O-NH1 2.85Å; G65-R71 PolarHBondContact O-NH2 3.07Å; L68-R71 WeakPolarHBondContact CD2-O 3.22Å; P69-R71 PolarHBondContact O-N 3Å; R71-E270 IonicContact CZ-OE1 2.9Å; R71-E270 IonicContact NH1-OE1 2.99Å; R71-E270 PolarHBondContact NH1-OE1 3.2Å; R71-E270 IonicContact NH1-OE2 3.88Å; R71-E270 IonicContact NH2-OE1 3.85Å; R71-E270 PolarHBondContact NH2-OE1 3.3Å; R71-E270 VanDerWaalsContact NH2-OE1 3.08Å
72N97.8Very high94.9Very high9 Ų941.7 Ų41.75%0.04819%0.19CC..EExtended strand (participates in β ladder)trans-84.7150.1172.4-58.9-50000111.5V41 S42 P44 V45 T46 R103V41-N72 HydrophobicContact CG1-CB 3.76Å; S42-N72 PolarHBondContact O-ND2 2.9Å; S42-N72 PolarHBondContact OG-ND2 2.87Å; P44-N72 PolarHBondContact O-N 2.85Å; P44-N72 PolarHBondContact O-ND2 2.99Å; V45-N72 CarbonylContact C-O 3.08Å; V45-N72 WeakPolarHBondContact CA-O 3.3Å; V45-N72 HydrophobicContact CB-CB 4.17Å; V45-N72 HydrophobicContact CG2-CB 3.97Å; T46-N72 PolarHBondContact N-O 2.87Å; N72-R103 CarbonylContact C-O 3.55Å; N72-R103 WeakPolarHBondContact CA-O 3.21Å; N72-R103 WeakPolarHBondContact OD1-CD 3.46Å; N72-R103 PolarHBondContact OD1-NH1 3.14Å
73Y98.6Very high94.7Very high0 Ų040.3 Ų40.30%018%0.184CC..EExtended strand (participates in β ladder)trans-127.5139172.8-82.2-101.6000110.9T46 L61 F62 G65 G66 L68 F75 R103 I104 T105T46-Y73 HydrophobicContact CG2-CD1 3.93Å; T46-Y73 HydrophobicContact CG2-CE1 3.66Å; T46-Y73 CarbonylContact O-C 3.57Å; T46-Y73 WeakPolarHBondContact O-CA 3.43Å; L61-Y73 HydrophobicContact CD2-CE1 4.07Å; F62-Y73 HydrophobicContact CD1-CE1 4.01Å; F62-Y73 HydrophobicContact CD1-CE2 4.3Å; F62-Y73 AromaticContact CD1-CZ 3.7Å; F62-Y73 WeakPolarHBondContact CD1-OH 3.14Å; F62-Y73 HydrophobicContact CE1-CD1 4.12Å; F62-Y73 HydrophobicContact CE1-CD2 4.36Å; F62-Y73 AromaticContact CE1-CE1 3.78Å; F62-Y73 HydrophobicContact CE1-CE1 3.78Å; F62-Y73 HydrophobicContact CE1-CE2 4.04Å; F62-Y73 HydrophobicContact CE1-CG 4.36Å; F62-Y73 AromaticContact CE1-CZ 3.69Å; G65-Y73 VanDerWaalsContact O-CZ 3.29Å; G65-Y73 PolarHBondContact O-OH 2.79Å; G66-Y73 PolarHBondContact O-OH 3.42Å; L68-Y73 HydrophobicContact CD2-CD2 3.85Å; L68-Y73 HydrophobicContact CD2-CE2 4.19Å; L68-Y73 HydrophobicContact CG-CD2 4.21Å; L68-Y73 HydrophobicContact CG-CE2 4.11Å; Y73-F75 AromaticContact CD1-CE2 3.95Å; Y73-F75 HydrophobicContact CD1-CE2 3.95Å; Y73-F75 AromaticContact CD1-CZ 3.94Å; Y73-F75 HydrophobicContact CD1-CZ 3.94Å; Y73-F75 HydrophobicContact CG-CE2 4.19Å; Y73-R103 PolarHBondContact N-O 3.27Å; Y73-I104 HydrophobicContact CG-CD1 4.49Å; Y73-T105 PolarHBondContact O-N 3.31Å
74I98.8Very high94.6Very high0 Ų034.2 Ų34.20%016%0.162CC..EExtended strand (participates in β ladder)trans-117.3123.1168.3-64.4166.4000107.5V41 V45 T46 I47 C48 M76 T105 L107 A150 V152 C158V41-I74 HydrophobicContact CB-CD1 4.1Å; V41-I74 HydrophobicContact CG1-CD1 4.13Å; V41-I74 HydrophobicContact CG1-CG1 4.33Å; V41-I74 HydrophobicContact CG2-CD1 3.98Å; V41-I74 HydrophobicContact CG2-CG1 4.12Å; V45-I74 HydrophobicContact CG2-CD1 3.84Å; V45-I74 HydrophobicContact CG2-CG1 3.92Å; T46-I74 PolarHBondContact O-N 3.11Å; I47-I74 HydrophobicContact CG1-CD1 4.4Å; C48-I74 PolarHBondContact N-O 3.07Å; I74-M76 HydrophobicContact CG2-CG 4.03Å; I74-T105 WeakPolarHBondContact CA-O 3.46Å; I74-L107 HydrophobicContact CG2-CD1 4.06Å; I74-L107 HydrophobicContact CG2-CG 4.08Å; I74-A150 HydrophobicContact CD1-CB 3.71Å; I74-A150 HydrophobicContact CG1-CB 4.17Å; I74-A150 HydrophobicContact CG2-CB 4.28Å; I74-V152 HydrophobicContact CD1-CG2 3.47Å; I74-V152 VanDerWaalsContact CD1-CG2 3.47Å; I74-C158 HydrophobicContact CG2-CB 4.12Å
75F98.8Very high94.6Very high0 Ų027.7 Ų27.70%014%0.137CC..EExtended strand (participates in β ladder)trans-105.8115.7170.4-70-90.1000108.9C48 I51 L58 L61 F62 Y73 G77 F79 L93 T105 L106 L107C48-F75 HydrophobicContact CB-CD1 3.59Å; C48-F75 HydrophobicContact CB-CE1 3.74Å; C48-F75 HydrophobicContact CB-CG 4.25Å; I51-F75 HydrophobicContact CD1-CD1 4.41Å; I51-F75 HydrophobicContact CD1-CE1 4.47Å; I51-F75 HydrophobicContact CG1-CD1 4.34Å; L58-F75 HydrophobicContact CD1-CE1 3.67Å; L58-F75 HydrophobicContact CD1-CZ 4.22Å; L61-F75 HydrophobicContact CD1-CE1 4.39Å; L61-F75 HydrophobicContact CD2-CE1 4.29Å; L61-F75 HydrophobicContact CD2-CZ 4.34Å; F62-F75 HydrophobicContact CE1-CZ 4.21Å; F62-F75 AromaticContact CE2-CZ 3.81Å; F62-F75 HydrophobicContact CE2-CZ 3.81Å; F62-F75 AromaticContact CZ-CE2 3.88Å; F62-F75 HydrophobicContact CZ-CE2 3.88Å; F62-F75 AromaticContact CZ-CZ 3.41Å; F62-F75 HydrophobicContact CZ-CZ 3.41Å; F62-F75 VanDerWaalsContact CZ-CZ 3.41Å; Y73-F75 AromaticContact CD1-CE2 3.95Å; Y73-F75 HydrophobicContact CD1-CE2 3.95Å; Y73-F75 AromaticContact CD1-CZ 3.94Å; Y73-F75 HydrophobicContact CD1-CZ 3.94Å; Y73-F75 HydrophobicContact CG-CE2 4.19Å; F75-G77 PolarHBondContact O-N 3.44Å; F75-G77 VanDerWaalsContact O-N 3.09Å; F75-F79 HydrophobicContact CB-CE1 3.59Å; F75-F79 HydrophobicContact CB-CZ 4.04Å; F75-L93 HydrophobicContact CD1-CD2 4.01Å; F75-L93 HydrophobicContact CD2-CD2 3.97Å; F75-L93 HydrophobicContact CE1-CD2 3.87Å; F75-L93 HydrophobicContact CE2-CD2 3.82Å; F75-L93 HydrophobicContact CG-CD2 4.07Å; F75-L93 HydrophobicContact CZ-CD2 3.79Å; F75-T105 PolarHBondContact N-O 3.33Å; F75-L106 HydrophobicContact CB-CD2 3.96Å; F75-L106 HydrophobicContact CD2-CD2 3.95Å; F75-L106 HydrophobicContact CG-CD2 4.25Å; F75-L107 PolarHBondContact O-N 2.82Å
76M98.7Very high94.9Very high0 Ų027.7 Ų27.70%014%0.137CC..  trans-85.943-170.1-61.8-172.4-64.800113.4I47 C48 I74 L107 C158 H160 C231 R232 A233 I252I47-M76 HydrophobicContact CG2-CE 3.68Å; I47-M76 HydrophobicContact CG2-CG 4Å; I47-M76 HydrophobicContact CG2-SD 3.57Å; I47-M76 VanDerWaalsContact CG2-SD 3.57Å; C48-M76 WeakPolarHBondContact O-CB 3.28Å; C48-M76 WeakPolarHBondContact O-CG 3.09Å; C48-M76 PolarHBondContact O-N 2.92Å; I74-M76 HydrophobicContact CG2-CG 4.03Å; M76-L107 HydrophobicContact CB-CD1 4.39Å; M76-L107 HydrophobicContact CG-CD1 4.06Å; M76-C158 HydrophobicContact CG-CB 4.43Å; M76-C158 HydrophobicContact SD-CB 4.11Å; M76-H160 VanDerWaalsContact O-CB 3.32Å; M76-H160 WeakPolarHBondContact O-CB 3.02Å; M76-H160 VanDerWaalsContact O-CG 3.31Å; M76-H160 PolarHBondContact O-ND1 2.83Å; M76-C231 HydrophobicContact SD-CB 4.2Å; M76-R232 VanDerWaalsContact CE-C 3.5Å; M76-R232 VanDerWaalsContact CE-O 3.31Å; M76-R232 WeakPolarHBondContact CE-O 3.3Å; M76-A233 HydrophobicContact CB-CB 3.87Å; M76-A233 HydrophobicContact CE-CB 3.92Å; M76-I252 HydrophobicContact CE-CB 3.9Å; M76-I252 HydrophobicContact CE-CD1 3.73Å; M76-I252 HydrophobicContact CE-CG1 4.08Å
77G98.3Very high95.2Very high0 Ų026.7 Ų26.70%013%0.126CC..SBendtrans80.4-173.8177.700000115.5F75 F79 L107F75-G77 PolarHBondContact O-N 3.44Å; F75-G77 VanDerWaalsContact O-N 3.09Å; G77-F79 VanDerWaalsContact CA-CE1 3.43Å; G77-F79 WeakPolarHBondContact O-CD1 3.42Å; G77-F79 WeakPolarHBondContact O-CE1 3.39Å; G77-L107 VanDerWaalsContact CA-O 3.3Å; G77-L107 WeakPolarHBondContact CA-O 3.17Å; G77-L107 PolarHBondContact N-O 2.82Å
78D98.6Very high95.6Very high2 Ų219.1 Ų19.11%0.0119%0.093CC..  trans54.156.7180-78.615.3000112.2D50 I51 H52 G109 N110 H111 E112 H160D50-D78 HydrophobicContact CB-CB 4.02Å; I51-D78 PolarHBondContact N-O 3.04Å; H52-D78 IonicContact CE1-OD2 3.05Å; H52-D78 PolarHBondContact CE1-OD2 3.12Å; H52-D78 PolarHBondContact N-O 3.03Å; H52-D78 IonicContact NE2-OD2 3.99Å; D78-G109 WeakPolarHBondContact OD1-CA 3.33Å; D78-N110 PolarHBondContact OD1-N 3.3Å; D78-N110 VanDerWaalsContact OD1-N 3.14Å; D78-N110 PolarHBondContact OD1-OD1 3.08Å; D78-N110 PolarHBondContact OD2-OD1 3.37Å; D78-H111 HydrophobicContact CB-CB 4.45Å; D78-H111 VanDerWaalsContact CG-CD2 3.42Å; D78-H111 VanDerWaalsContact OD1-CB 3.29Å; D78-H111 WeakPolarHBondContact OD1-CB 3.17Å; D78-H111 IonicContact OD1-CD2 3.96Å; D78-H111 PolarHBondContact OD1-CD2 3.29Å; D78-H111 IonicContact OD1-CG 3.9Å; D78-H111 PolarHBondContact OD1-N 3.35Å; D78-H111 IonicContact OD2-CD2 2.63Å; D78-H111 PolarHBondContact OD2-CD2 2.82Å; D78-H111 IonicContact OD2-CG 3.91Å; D78-H111 IonicContact OD2-NE2 3.21Å; D78-E112 PolarHBondContact N-OE2 3.45Å; D78-H160 IonicContact OD1-CE1 3.35Å; D78-H160 PolarHBondContact OD1-CE1 3.12Å; D78-H160 IonicContact OD1-NE2 2.67Å; D78-H160 PolarHBondContact OD1-NE2 2.9Å; D78-H160 IonicContact OD2-CE1 2.67Å; D78-H160 PolarHBondContact OD2-CE1 3.06Å; D78-H160 VanDerWaalsContact OD2-CE1 3.29Å; D78-H160 IonicContact OD2-NE2 4Å; D78-H160 PolarHBondContact OD2-NE2 2.78Å
79F98.6Very high95.9Very high0 Ų017.7 Ų17.70%09%0.086CC..  trans-81.3-28179-47.8-36.7000111.9G53 F75 G77 T89 L90 L93 L106 L107 E112 L146G53-F79 PolarHBondContact N-O 2.87Å; F75-F79 HydrophobicContact CB-CE1 3.59Å; F75-F79 HydrophobicContact CB-CZ 4.04Å; G77-F79 VanDerWaalsContact CA-CE1 3.43Å; G77-F79 WeakPolarHBondContact O-CD1 3.42Å; G77-F79 WeakPolarHBondContact O-CE1 3.39Å; F79-T89 WeakPolarHBondContact O-CG2 3.38Å; F79-L90 HydrophobicContact CD2-CD1 4.04Å; F79-L93 HydrophobicContact CB-CD1 4.08Å; F79-L93 HydrophobicContact CD1-CD1 3.63Å; F79-L93 HydrophobicContact CD2-CD1 4.23Å; F79-L93 HydrophobicContact CE1-CD1 4.15Å; F79-L93 HydrophobicContact CG-CD1 3.69Å; F79-L106 HydrophobicContact CE2-CB 4.28Å; F79-L106 HydrophobicContact CZ-CB 4.17Å; F79-L106 HydrophobicContact CZ-CD2 4.29Å; F79-L107 WeakPolarHBondContact CZ-O 3.33Å; F79-E112 HydrophobicContact CD2-CG 4.17Å; F79-E112 PolarHBondContact N-OE1 2.82Å; F79-L146 HydrophobicContact CE2-CD1 4.05Å; F79-L146 HydrophobicContact CE2-CD2 4.49Å
80V98.2Very high96.3Very high0 Ų014.8 Ų14.80%07%0.067CC..SBendtrans-114.9176.1-171.3-59.80000112.1H52 L90 H111 T117 F122 F143H52-V80 PolarHBondContact ND1-O 2.85Å; V80-L90 HydrophobicContact CG1-CB 4.07Å; V80-L90 HydrophobicContact CG1-CD2 4.26Å; V80-H111 HydrophobicContact CG2-CB 4.25Å; V80-H111 WeakPolarHBondContact CG2-O 3.46Å; V80-T117 HydrophobicContact CG2-CG2 3.83Å; V80-F122 HydrophobicContact CB-CB 4.1Å; V80-F122 HydrophobicContact CB-CD1 4.13Å; V80-F122 HydrophobicContact CB-CD2 4.25Å; V80-F122 HydrophobicContact CB-CG 3.9Å; V80-F122 HydrophobicContact CG1-CD1 4.1Å; V80-F122 HydrophobicContact CG1-CD2 4.14Å; V80-F122 HydrophobicContact CG1-CE1 4.13Å; V80-F122 HydrophobicContact CG1-CE2 4.16Å; V80-F122 HydrophobicContact CG1-CG 4.1Å; V80-F122 HydrophobicContact CG1-CZ 4.15Å; V80-F122 HydrophobicContact CG2-CB 4.32Å; V80-F122 HydrophobicContact CG2-CD1 4.12Å; V80-F122 HydrophobicContact CG2-CG 4.26Å; V80-F143 HydrophobicContact CG1-CZ 4.09Å; V80-F143 HydrophobicContact CG2-CZ 4.2Å
81D96.1Very high96.6Very high0 Ų08.6 Ų8.60%03%0.034CC..SBendtrans62.8167.5-176.3-61.8-39.9000113.4H52 G83 S86 H111 T117 Y120 G121 F122H52-D81 CarbonylContact C-O 3.48Å; H52-D81 VanDerWaalsContact CA-O 3.23Å; H52-D81 WeakPolarHBondContact CA-O 2.96Å; H52-D81 WeakPolarHBondContact CB-O 3.31Å; D81-G83 PolarHBondContact O-N 2.81Å; D81-S86 PolarHBondContact N-OG 2.99Å; D81-H111 VanDerWaalsContact CB-ND1 3.33Å; D81-H111 WeakPolarHBondContact CB-ND1 3.5Å; D81-H111 IonicContact OD2-CE1 2.83Å; D81-H111 IonicContact OD2-CG 3.08Å; D81-H111 IonicContact OD2-ND1 3.6Å; D81-H111 PolarHBondContact OD2-ND1 3.01Å; D81-T117 WeakPolarHBondContact OD2-CA 3.34Å; D81-Y120 VanDerWaalsContact CG-CB 3.48Å; D81-Y120 VanDerWaalsContact OD1-C 3.24Å; D81-G121 PolarHBondContact OD1-N 2.96Å; D81-F122 WeakPolarHBondContact OD1-CB 3.47Å; D81-F122 PolarHBondContact OD1-N 3.33Å
82R92.6Very high96.8Very high74 Ų747.3 Ų7.328%0.2793%0.029SC..SBendtrans60.46.1170.4-55.3-84.6-165.2164.47.2115.8H52 Y120 Y258 F301H52-R82 HydrophobicContact CB-CB 4.01Å; R82-Y120 PolarHBondContact N-O 2.69Å; R82-Y120 VanDerWaalsContact NE-CD1 3.32Å; R82-Y258 HydrophobicContact CB-CE2 3.91Å; R82-Y258 HydrophobicContact CG-CE2 4.49Å; R82-Y258 WeakPolarHBondContact CG-OH 3.41Å; R82-F301 WeakPolarHBondContact O-CZ 3.39Å
83G91.8Very high96.8Very high0 Ų06.9 Ų6.90%03%0.027CC..SBendtrans-138.3159.5176.900000111.7H52 D81 Y85 Y300 F301H52-G83 WeakPolarHBondContact O-CA 3.37Å; H52-G83 PolarHBondContact O-N 2.87Å; H52-G83 VanDerWaalsContact O-N 3.16Å; D81-G83 PolarHBondContact O-N 2.81Å; G83-Y85 VanDerWaalsContact C-N 3.29Å; G83-Y85 PolarHBondContact O-N 2.84Å; G83-Y300 PolarHBondContact O-OH 2.71Å; G83-F301 VanDerWaalsContact CA-CZ 3.42Å
84Y90.7Very high96.8Very high44 Ų446.9 Ų6.917%0.1733%0.027CC..THydrogen-bonded Turntrans-74.4-16.5-175.8-68.3-52.7000114.9Y260 P293 T298 F301Y84-Y260 HydrophobicContact CD1-CE2 4.44Å; Y84-Y260 AromaticContact CD2-CD2 3.85Å; Y84-Y260 HydrophobicContact CD2-CD2 3.85Å; Y84-Y260 HydrophobicContact CD2-CE1 4.22Å; Y84-Y260 AromaticContact CD2-CE2 3.14Å; Y84-Y260 HydrophobicContact CD2-CE2 3.14Å; Y84-Y260 AromaticContact CD2-CZ 3.36Å; Y84-Y260 WeakPolarHBondContact CD2-OH 3.45Å; Y84-Y260 HydrophobicContact CE1-CE2 4.45Å; Y84-Y260 HydrophobicContact CE2-CD1 4.45Å; Y84-Y260 AromaticContact CE2-CD2 3.3Å; Y84-Y260 HydrophobicContact CE2-CD2 3.3Å; Y84-Y260 HydrophobicContact CE2-CE1 4.34Å; Y84-Y260 AromaticContact CE2-CE2 3.13Å; Y84-Y260 HydrophobicContact CE2-CE2 3.13Å; Y84-Y260 AromaticContact CE2-CG 3.98Å; Y84-Y260 HydrophobicContact CE2-CG 3.98Å; Y84-Y260 AromaticContact CE2-CZ 3.7Å; Y84-Y260 AromaticContact CG-CE2 3.82Å; Y84-Y260 HydrophobicContact CG-CE2 3.82Å; Y84-Y260 AromaticContact CZ-CD2 3.79Å; Y84-Y260 AromaticContact CZ-CE2 3.83Å; Y84-Y260 PolarHBondContact N-OH 3.05Å; Y84-P293 HydrophobicContact CD1-CG 4.01Å; Y84-P293 HydrophobicContact CG-CG 4.02Å; Y84-T298 HydrophobicContact CD1-CG2 4.33Å; Y84-T298 WeakPolarHBondContact CD1-OG1 3.12Å; Y84-F301 AromaticContact CD1-CD2 3.48Å; Y84-F301 HydrophobicContact CD1-CD2 3.48Å; Y84-F301 VanDerWaalsContact CD1-CD2 3.48Å; Y84-F301 AromaticContact CD1-CE2 3.57Å; Y84-F301 HydrophobicContact CD1-CE2 3.57Å; Y84-F301 HydrophobicContact CD1-CG 4.15Å; Y84-F301 HydrophobicContact CD1-CZ 4.31Å; Y84-F301 HydrophobicContact CE1-CB 3.82Å; Y84-F301 HydrophobicContact CE1-CD1 4.07Å; Y84-F301 AromaticContact CE1-CD2 3.25Å; Y84-F301 HydrophobicContact CE1-CD2 3.25Å; Y84-F301 HydrophobicContact CE1-CE1 4.45Å; Y84-F301 AromaticContact CE1-CE2 3.69Å; Y84-F301 HydrophobicContact CE1-CE2 3.69Å; Y84-F301 AromaticContact CE1-CG 3.44Å; Y84-F301 HydrophobicContact CE1-CG 3.44Å; Y84-F301 VanDerWaalsContact CE1-CG 3.44Å; Y84-F301 HydrophobicContact CE1-CZ 4.23Å; Y84-F301 HydrophobicContact CG-CD2 4.48Å; Y84-F301 HydrophobicContact CG-CE2 4.17Å; Y84-F301 AromaticContact CZ-CG 3.95Å
85Y94.1Very high96.8Very high11 Ų116.9 Ų6.94%0.0433%0.027CC..THydrogen-bonded Turntrans-132.143.6-164.5-59.7-74.8000112C13 G53 F55 Y56 G83 L87 E88 T89 S291 P293C13-Y85 WeakPolarHBondContact SG-CD1 3.07Å; C13-Y85 VanDerWaalsContact SG-CE1 3.51Å; G53-Y85 CarbonylContact O-C 3.56Å; G53-Y85 WeakPolarHBondContact O-CA 3.14Å; G53-Y85 WeakPolarHBondContact O-CB 3.39Å; G53-Y85 PolarHBondContact O-N 2.82Å; F55-Y85 HydrophobicContact CB-CD2 4.35Å; F55-Y85 HydrophobicContact CB-CG 4.1Å; Y56-Y85 HydrophobicContact CD2-CD2 4.34Å; Y56-Y85 HydrophobicContact CD2-CE2 4.07Å; Y56-Y85 HydrophobicContact CE2-CD2 4.21Å; Y56-Y85 AromaticContact CE2-CE2 3.63Å; Y56-Y85 HydrophobicContact CE2-CE2 3.63Å; Y56-Y85 AromaticContact CE2-CZ 3.93Å; G83-Y85 VanDerWaalsContact C-N 3.29Å; G83-Y85 PolarHBondContact O-N 2.84Å; Y85-L87 VanDerWaalsContact C-N 3.28Å; Y85-L87 PolarHBondContact O-N 2.98Å; Y85-E88 WeakPolarHBondContact CA-OE2 3.17Å; Y85-E88 PolarHBondContact O-N 3.16Å; Y85-T89 WeakPolarHBondContact O-CB 3.47Å; Y85-T89 PolarHBondContact O-N 2.85Å; Y85-T89 PolarHBondContact O-OG1 3.16Å; Y85-S291 PolarHBondContact OH-O 2.9Å; Y85-S291 PolarHBondContact OH-OG 2.97Å; Y85-P293 WeakPolarHBondContact OH-CD 3.12Å
86S96.5Very high96.7Very high0 Ų07.2 Ų7.20%03%0.029CC..Hα-helixtrans-59.5-41.9-179.1-52.80000111.5D81 T89 L90 F122 E125D81-S86 PolarHBondContact N-OG 2.99Å; S86-T89 PolarHBondContact O-N 2.91Å; S86-L90 WeakPolarHBondContact O-CB 3.25Å; S86-L90 PolarHBondContact O-N 2.83Å; S86-F122 VanDerWaalsContact CB-CD2 3.48Å; S86-E125 WeakPolarHBondContact CB-OE2 3.43Å; S86-E125 PolarHBondContact N-OE1 3.33Å; S86-E125 VanDerWaalsContact N-OE1 3.14Å; S86-E125 PolarHBondContact N-OE2 2.87Å; S86-E125 VanDerWaalsContact N-OE2 3.13Å; S86-E125 PolarHBondContact OG-OE2 3.08Å; S86-E125 VanDerWaalsContact OG-OE2 3.06Å
87L96.7Very high96.7Very high0 Ų07.2 Ų7.20%03%0.029CC..Hα-helixtrans-64.2-48.7179179.571.7000111.9Y15 L21 Y85 T89 T91 F122 E125 K129 Y130Y15-L87 VanDerWaalsContact CB-CD2 3.46Å; Y15-L87 HydrophobicContact CD1-CD2 4.36Å; Y15-L87 HydrophobicContact CD2-CD2 4.33Å; Y15-L87 HydrophobicContact CG-CD2 3.84Å; L21-L87 HydrophobicContact CD2-CD1 4.16Å; Y85-L87 VanDerWaalsContact C-N 3.28Å; Y85-L87 PolarHBondContact O-N 2.98Å; L87-T89 VanDerWaalsContact C-N 3.33Å; L87-T91 VanDerWaalsContact O-CB 3.23Å; L87-T91 WeakPolarHBondContact O-CB 3.47Å; L87-T91 PolarHBondContact O-N 3.36Å; L87-T91 PolarHBondContact O-OG1 2.79Å; L87-F122 HydrophobicContact CB-CE2 4.15Å; L87-F122 HydrophobicContact CD1-CE2 4.34Å; L87-E125 VanDerWaalsContact CB-OE1 3.24Å; L87-E125 WeakPolarHBondContact CB-OE1 3.44Å; L87-E125 PolarHBondContact N-OE1 2.86Å; L87-K129 HydrophobicContact CB-CD 4.46Å; L87-K129 HydrophobicContact CD2-CB 4.36Å; L87-K129 HydrophobicContact CD2-CD 3.58Å; L87-Y130 HydrophobicContact CD1-CE2 4.03Å; L87-Y130 HydrophobicContact CD2-CD2 4.24Å; L87-Y130 HydrophobicContact CD2-CE2 3.33Å; L87-Y130 HydrophobicContact CG-CE2 4.29Å
88E96.3Very high96.7Very high6 Ų67.4 Ų7.43%0.0283%0.03CC..Hα-helixtrans-66.4-38.7179.5-6677.6-173.900111.1F55 Y85 F92 K129F55-E88 HydrophobicContact CD2-CB 3.91Å; F55-E88 HydrophobicContact CE2-CB 4.33Å; F55-E88 HydrophobicContact CG-CB 4.3Å; Y85-E88 WeakPolarHBondContact CA-OE2 3.17Å; Y85-E88 PolarHBondContact O-N 3.16Å; E88-F92 VanDerWaalsContact O-CB 3.22Å; E88-F92 WeakPolarHBondContact O-CB 3.48Å; E88-F92 PolarHBondContact O-N 3.4Å; E88-K129 IonicContact OE1-NZ 3.88Å; E88-K129 PolarHBondContact OE1-NZ 3.43Å; E88-K129 IonicContact OE2-NZ 3.63Å; E88-K129 PolarHBondContact OE2-NZ 2.91Å
89T97.6Very high96.6Very high0 Ų010.4 Ų10.40%04%0.043CC..Hα-helixtrans-60.1-55.3176.2-61.10000110.9I51 G53 F55 L58 F79 Y85 S86 L87 T91 F92 L93I51-T89 HydrophobicContact CB-CG2 4.35Å; I51-T89 HydrophobicContact CG2-CG2 3.52Å; G53-T89 WeakPolarHBondContact CA-OG1 3.37Å; F55-T89 WeakPolarHBondContact CA-OG1 3.32Å; F55-T89 PolarHBondContact N-OG1 2.71Å; L58-T89 HydrophobicContact CD2-CG2 3.8Å; F79-T89 WeakPolarHBondContact O-CG2 3.38Å; Y85-T89 WeakPolarHBondContact O-CB 3.47Å; Y85-T89 PolarHBondContact O-N 2.85Å; Y85-T89 PolarHBondContact O-OG1 3.16Å; S86-T89 PolarHBondContact O-N 2.91Å; L87-T89 VanDerWaalsContact C-N 3.33Å; T89-T91 PolarHBondContact O-N 3.26Å; T89-F92 PolarHBondContact O-N 3.17Å; T89-L93 WeakPolarHBondContact O-CG 3.41Å; T89-L93 PolarHBondContact O-N 2.87Å; T89-L93 VanDerWaalsContact O-N 3.1Å
90L98.5Very high96.5Very high1 Ų113.1 Ų13.11%0.0055%0.054CC..Hα-helixtrans-60.2-49.1177.8177.863000110.8F79 V80 S86 F92 L93 L94 F122 C139 F143F79-L90 HydrophobicContact CD2-CD1 4.04Å; V80-L90 HydrophobicContact CG1-CB 4.07Å; V80-L90 HydrophobicContact CG1-CD2 4.26Å; S86-L90 WeakPolarHBondContact O-CB 3.25Å; S86-L90 PolarHBondContact O-N 2.83Å; L90-F92 VanDerWaalsContact C-N 3.27Å; L90-F92 PolarHBondContact O-N 2.96Å; L90-L93 PolarHBondContact O-N 3.24Å; L90-L93 VanDerWaalsContact O-N 3.13Å; L90-L94 HydrophobicContact CD1-CD1 4.25Å; L90-L94 HydrophobicContact CD1-CD2 4.24Å; L90-L94 HydrophobicContact CD1-CG 4.04Å; L90-L94 HydrophobicContact CG-CD1 4.03Å; L90-L94 HydrophobicContact CG-CG 4.19Å; L90-L94 VanDerWaalsContact O-CG 3.29Å; L90-L94 WeakPolarHBondContact O-CG 3.48Å; L90-L94 PolarHBondContact O-N 3.35Å; L90-F122 HydrophobicContact CD2-CE1 4.31Å; L90-F122 HydrophobicContact CD2-CZ 3.88Å; L90-C139 HydrophobicContact CD2-CB 3.72Å; L90-F143 HydrophobicContact CD1-CE1 3.83Å; L90-F143 HydrophobicContact CD2-CE1 3.46Å; L90-F143 VanDerWaalsContact CD2-CE1 3.46Å; L90-F143 HydrophobicContact CD2-CZ 3.65Å; L90-F143 HydrophobicContact CG-CE1 4.3Å
91T98Very high96.4Very high0 Ų015.6 Ų15.60%07%0.07CC..Hα-helixtrans-58.3-41.6-178.9-54.30000111.1V10 L16 L21 L24 L87 T89 L94 V95V10-T91 HydrophobicContact CG1-CG2 3.69Å; L16-T91 HydrophobicContact CD1-CG2 3.71Å; L16-T91 HydrophobicContact CG-CG2 3.9Å; L21-T91 HydrophobicContact CD1-CG2 4.37Å; L24-T91 HydrophobicContact CD2-CG2 3.79Å; L87-T91 VanDerWaalsContact O-CB 3.23Å; L87-T91 WeakPolarHBondContact O-CB 3.47Å; L87-T91 PolarHBondContact O-N 3.36Å; L87-T91 PolarHBondContact O-OG1 2.79Å; T89-T91 PolarHBondContact O-N 3.26Å; T91-L94 PolarHBondContact O-N 3.24Å; T91-V95 HydrophobicContact CG2-CG2 4.45Å; T91-V95 VanDerWaalsContact O-CG2 3.32Å; T91-V95 WeakPolarHBondContact O-CG2 2.92Å; T91-V95 PolarHBondContact O-N 3.48Å
92F97.9Very high96.4Very high6 Ų619.3 Ų19.33%0.02610%0.101CC..Hα-helixtrans-61.6-45.9176.2178.7-115.8000112.7M7 V10 K11 F55 L58 L59 F62 E88 T89 L90 L94 V95 L96M7-F92 HydrophobicContact SD-CD2 4.09Å; M7-F92 HydrophobicContact SD-CE2 3.66Å; V10-F92 HydrophobicContact CB-CB 4.44Å; V10-F92 HydrophobicContact CB-CD2 4.49Å; V10-F92 HydrophobicContact CG2-CB 4.29Å; V10-F92 HydrophobicContact CG2-CD2 3.67Å; V10-F92 HydrophobicContact CG2-CG 4.47Å; K11-F92 HydrophobicContact CG-CD2 4.39Å; K11-F92 HydrophobicContact CG-CE2 3.73Å; F55-F92 HydrophobicContact CE2-CB 3.94Å; F55-F92 HydrophobicContact CE2-CD1 4.43Å; F55-F92 HydrophobicContact CE2-CG 4.13Å; L58-F92 HydrophobicContact CD2-CD1 3.68Å; L58-F92 HydrophobicContact CD2-CE1 4.21Å; L58-F92 HydrophobicContact CG-CD1 4.23Å; L58-F92 HydrophobicContact CG-CE1 4.27Å; L59-F92 HydrophobicContact CD2-CE1 3.97Å; L59-F92 HydrophobicContact CD2-CE2 4.41Å; L59-F92 HydrophobicContact CD2-CZ 3.85Å; F62-F92 AromaticContact CD2-CE1 3.67Å; F62-F92 HydrophobicContact CD2-CE1 3.67Å; F62-F92 HydrophobicContact CD2-CZ 4.17Å; F62-F92 HydrophobicContact CE2-CD1 4.35Å; F62-F92 AromaticContact CE2-CE1 3.47Å; F62-F92 HydrophobicContact CE2-CE1 3.47Å; F62-F92 VanDerWaalsContact CE2-CE1 3.47Å; F62-F92 HydrophobicContact CE2-CZ 4.19Å; F62-F92 HydrophobicContact CZ-CE1 4.43Å; E88-F92 VanDerWaalsContact O-CB 3.22Å; E88-F92 WeakPolarHBondContact O-CB 3.48Å; E88-F92 PolarHBondContact O-N 3.4Å; T89-F92 PolarHBondContact O-N 3.17Å; L90-F92 VanDerWaalsContact C-N 3.27Å; L90-F92 PolarHBondContact O-N 2.96Å; F92-L94 VanDerWaalsContact C-N 3.33Å; F92-L94 PolarHBondContact O-N 2.76Å; F92-V95 PolarHBondContact O-N 3.05Å; F92-L96 HydrophobicContact CD1-CD1 3.96Å; F92-L96 HydrophobicContact CE1-CD1 3.62Å; F92-L96 HydrophobicContact CE2-CD1 4.2Å; F92-L96 HydrophobicContact CE2-CG 4.36Å; F92-L96 HydrophobicContact CG-CD1 4.41Å; F92-L96 HydrophobicContact CZ-CD1 3.75Å; F92-L96 HydrophobicContact CZ-CG 4.35Å; F92-L96 WeakPolarHBondContact O-CG 3.31Å; F92-L96 PolarHBondContact O-N 3.39Å
93L98.4Very high96.7Very high0 Ų020.6 Ų20.60%011%0.106CC..Hα-helixtrans-62.2-39.1175.2-67.4175.8000112.1L58 F75 F79 T89 L90 L96 K97 L106L58-L93 HydrophobicContact CD1-CD2 4.44Å; L58-L93 HydrophobicContact CD2-CD2 4.07Å; L58-L93 HydrophobicContact CD2-CG 4.12Å; F75-L93 HydrophobicContact CD1-CD2 4.01Å; F75-L93 HydrophobicContact CD2-CD2 3.97Å; F75-L93 HydrophobicContact CE1-CD2 3.87Å; F75-L93 HydrophobicContact CE2-CD2 3.82Å; F75-L93 HydrophobicContact CG-CD2 4.07Å; F75-L93 HydrophobicContact CZ-CD2 3.79Å; F79-L93 HydrophobicContact CB-CD1 4.08Å; F79-L93 HydrophobicContact CD1-CD1 3.63Å; F79-L93 HydrophobicContact CD2-CD1 4.23Å; F79-L93 HydrophobicContact CE1-CD1 4.15Å; F79-L93 HydrophobicContact CG-CD1 3.69Å; T89-L93 WeakPolarHBondContact O-CG 3.41Å; T89-L93 PolarHBondContact O-N 2.87Å; T89-L93 VanDerWaalsContact O-N 3.1Å; L90-L93 PolarHBondContact O-N 3.24Å; L90-L93 VanDerWaalsContact O-N 3.13Å; L93-L96 HydrophobicContact CD2-CD1 4.5Å; L93-L96 WeakPolarHBondContact O-CB 3.27Å; L93-L96 PolarHBondContact O-N 3.2Å; L93-K97 WeakPolarHBondContact O-CB 3.33Å; L93-K97 PolarHBondContact O-N 3.45Å; L93-L106 HydrophobicContact CB-CD1 4.45Å; L93-L106 HydrophobicContact CB-CD2 4.23Å
94L98.5Very high97Very high0 Ų020.6 Ų20.60%011%0.106CC..Hα-helixtrans-67.1-41.4176.7-65.1-175.1000112.3L24 V28 L90 T91 F92 L96 K97 A98 L106 V142L24-L94 HydrophobicContact CD1-CB 4.32Å; L24-L94 HydrophobicContact CD2-CB 3.86Å; L24-L94 HydrophobicContact CG-CB 4.07Å; V28-L94 HydrophobicContact CB-CD2 4.45Å; V28-L94 HydrophobicContact CG1-CD2 3.86Å; V28-L94 HydrophobicContact CG2-CB 4.23Å; V28-L94 WeakPolarHBondContact CG2-O 3.4Å; L90-L94 HydrophobicContact CD1-CD1 4.25Å; L90-L94 HydrophobicContact CD1-CD2 4.24Å; L90-L94 HydrophobicContact CD1-CG 4.04Å; L90-L94 HydrophobicContact CG-CD1 4.03Å; L90-L94 HydrophobicContact CG-CG 4.19Å; L90-L94 VanDerWaalsContact O-CG 3.29Å; L90-L94 WeakPolarHBondContact O-CG 3.48Å; L90-L94 PolarHBondContact O-N 3.35Å; T91-L94 PolarHBondContact O-N 3.24Å; F92-L94 VanDerWaalsContact C-N 3.33Å; F92-L94 PolarHBondContact O-N 2.76Å; L94-L96 VanDerWaalsContact C-N 3.31Å; L94-L96 PolarHBondContact O-N 3.16Å; L94-K97 PolarHBondContact O-N 3.13Å; L94-A98 WeakPolarHBondContact O-CB 3.41Å; L94-A98 PolarHBondContact O-N 2.96Å; L94-L106 HydrophobicContact CD2-CD1 4.09Å; L94-V142 HydrophobicContact CD1-CG1 4.43Å; L94-V142 HydrophobicContact CD2-CG1 3.72Å
95V97.9Very high97.3Very high0 Ų019 Ų190%010%0.1CC..Hα-helixtrans-64-39.3174.4178.30000110.4W6 M7 V10 L24 T91 F92 A98 K99W6-V95 HydrophobicContact CB-CG1 4.3Å; W6-V95 HydrophobicContact CB-CG2 4.16Å; W6-V95 HydrophobicContact CE3-CG2 4.43Å; M7-V95 HydrophobicContact CB-CG1 4.05Å; M7-V95 HydrophobicContact CE-CB 4.36Å; M7-V95 HydrophobicContact CE-CG1 3.66Å; M7-V95 HydrophobicContact SD-CG1 4.36Å; V10-V95 HydrophobicContact CG1-CG2 4.49Å; V10-V95 HydrophobicContact CG2-CG2 4.42Å; L24-V95 HydrophobicContact CD1-CG2 4.13Å; L24-V95 HydrophobicContact CD2-CG2 3.6Å; T91-V95 HydrophobicContact CG2-CG2 4.45Å; T91-V95 VanDerWaalsContact O-CG2 3.32Å; T91-V95 WeakPolarHBondContact O-CG2 2.92Å; T91-V95 PolarHBondContact O-N 3.48Å; F92-V95 PolarHBondContact O-N 3.05Å; V95-A98 PolarHBondContact O-N 2.64Å; V95-K99 VanDerWaalsContact O-CB 3.32Å; V95-K99 WeakPolarHBondContact O-CB 3.41Å; V95-K99 PolarHBondContact O-N 3.08Å
96L97.2Very high97.6Very high8 Ų818.4 Ų18.44%0.04210%0.098CC..Hα-helixtrans-63.2-43.2174.2-71.7169.8000111.9M7 F62 L68 F92 L93 L94 K99 Y100 I104M7-L96 HydrophobicContact CE-CD2 3.34Å; M7-L96 HydrophobicContact CE-CG 3.83Å; M7-L96 HydrophobicContact SD-CD2 4.16Å; F62-L96 HydrophobicContact CE1-CD1 4.19Å; F62-L96 HydrophobicContact CE2-CD1 3.7Å; F62-L96 HydrophobicContact CZ-CD1 3.37Å; L68-L96 HydrophobicContact CD1-CD2 3.68Å; F92-L96 HydrophobicContact CD1-CD1 3.96Å; F92-L96 HydrophobicContact CE1-CD1 3.62Å; F92-L96 HydrophobicContact CE2-CD1 4.2Å; F92-L96 HydrophobicContact CE2-CG 4.36Å; F92-L96 HydrophobicContact CG-CD1 4.41Å; F92-L96 HydrophobicContact CZ-CD1 3.75Å; F92-L96 HydrophobicContact CZ-CG 4.35Å; F92-L96 WeakPolarHBondContact O-CG 3.31Å; F92-L96 PolarHBondContact O-N 3.39Å; L93-L96 HydrophobicContact CD2-CD1 4.5Å; L93-L96 WeakPolarHBondContact O-CB 3.27Å; L93-L96 PolarHBondContact O-N 3.2Å; L94-L96 VanDerWaalsContact C-N 3.31Å; L94-L96 PolarHBondContact O-N 3.16Å; L96-K99 PolarHBondContact O-N 3.12Å; L96-Y100 HydrophobicContact CD2-CD2 4.39Å; L96-Y100 HydrophobicContact CD2-CE2 4.41Å; L96-Y100 PolarHBondContact O-N 3.11Å; L96-I104 HydrophobicContact CB-CD1 4.36Å; L96-I104 HydrophobicContact CB-CG1 4.09Å
97K98.1Very high97.7Very high0 Ų018.4 Ų18.40%010%0.098CC..Hα-helixtrans-60.1-45.3174.1178.259.6175.5-179.70111.8V28 E35 L93 L94 K99 Y100 P101 I104 L106V28-K97 HydrophobicContact CG1-CB 4.47Å; V28-K97 HydrophobicContact CG1-CG 3.87Å; E35-K97 IonicContact OE1-NZ 3.29Å; E35-K97 PolarHBondContact OE1-NZ 3.23Å; E35-K97 IonicContact OE2-NZ 3.47Å; E35-K97 PolarHBondContact OE2-NZ 3.49Å; L93-K97 WeakPolarHBondContact O-CB 3.33Å; L93-K97 PolarHBondContact O-N 3.45Å; L94-K97 PolarHBondContact O-N 3.13Å; K97-K99 VanDerWaalsContact C-N 3.34Å; K97-K99 PolarHBondContact O-N 3.27Å; K97-Y100 CarbonylContact O-C 3.52Å; K97-P101 PolarHBondContact NZ-O 3.27Å; K97-P101 WeakPolarHBondContact O-CA 3.5Å; K97-P101 VanDerWaalsContact O-N 3.12Å; K97-I104 HydrophobicContact CB-CB 4.5Å; K97-I104 HydrophobicContact CB-CG2 4.11Å; K97-I104 HydrophobicContact CD-CB 4.27Å; K97-I104 HydrophobicContact CD-CG2 4.31Å; K97-I104 WeakPolarHBondContact CD-O 3.38Å; K97-I104 PolarHBondContact NZ-O 3.01Å; K97-L106 HydrophobicContact CB-CD1 4.04Å; K97-L106 HydrophobicContact CG-CD1 4.38Å
98A97.8Very high97.8Very high4 Ų418.4 Ų18.43%0.03310%0.098CC..Hα-helixtrans-63-39.4177.200000112.3L3 L24 Y27 V28 L94 V95L3-A98 HydrophobicContact CD1-CB 4.28Å; L3-A98 HydrophobicContact CD2-CB 3.77Å; L24-A98 HydrophobicContact CD1-CB 4.03Å; Y27-A98 HydrophobicContact CD1-CB 3.76Å; Y27-A98 HydrophobicContact CE1-CB 3.77Å; V28-A98 HydrophobicContact CG2-CB 4.06Å; L94-A98 WeakPolarHBondContact O-CB 3.41Å; L94-A98 PolarHBondContact O-N 2.96Å; V95-A98 PolarHBondContact O-N 2.64Å
99K96.9Very high97.9Very high65 Ų6518.1 Ų18.128%0.28310%0.097SC..Hα-helixtrans-79.3-35.2-177.9-174.1168.3-177.7166.30113.6L3 D4 M7 V95 L96 K97 P101L3-K99 HydrophobicContact CD1-CB 4.31Å; D4-K99 IonicContact OD1-NZ 3.6Å; D4-K99 PolarHBondContact OD1-NZ 2.68Å; M7-K99 HydrophobicContact CE-CD 4.24Å; V95-K99 VanDerWaalsContact O-CB 3.32Å; V95-K99 WeakPolarHBondContact O-CB 3.41Å; V95-K99 PolarHBondContact O-N 3.08Å; L96-K99 PolarHBondContact O-N 3.12Å; K97-K99 VanDerWaalsContact C-N 3.34Å; K97-K99 PolarHBondContact O-N 3.27Å; K99-P101 VanDerWaalsContact C-CD 3.48Å
100Y96.8Very high97.9Very high57 Ų5718.3 Ų18.322%0.22410%0.098CC..  trans-131.162.8-176.7-51.5-71000111L68 P69 L96 K97 A102 R103 I104L68-Y100 HydrophobicContact CB-CD2 4.17Å; L68-Y100 HydrophobicContact CB-CE2 4.01Å; L68-Y100 HydrophobicContact CD1-CD2 4.11Å; L68-Y100 HydrophobicContact CD1-CE2 4.35Å; P69-Y100 HydrophobicContact CB-CD1 3.86Å; P69-Y100 HydrophobicContact CB-CE1 3.89Å; P69-Y100 HydrophobicContact CG-CE1 4.28Å; L96-Y100 HydrophobicContact CD2-CD2 4.39Å; L96-Y100 HydrophobicContact CD2-CE2 4.41Å; L96-Y100 PolarHBondContact O-N 3.11Å; K97-Y100 CarbonylContact O-C 3.52Å; Y100-A102 PolarHBondContact O-N 2.91Å; Y100-A102 VanDerWaalsContact O-N 3.13Å; Y100-R103 PolarHBondContact O-N 3.35Å; Y100-I104 PolarHBondContact O-N 3.22Å; Y100-I104 VanDerWaalsContact O-N 3.12Å
101P96.8Very high97.9Very high51 Ų5118.7 Ų18.733%0.33110%0.1SC..THydrogen-bonded Turntrans-58.3-34-170.321-33.3000113.7L31 K97 K99L31-P101 HydrophobicContact CD1-CB 4.14Å; L31-P101 HydrophobicContact CD2-CB 4.26Å; K97-P101 PolarHBondContact NZ-O 3.27Å; K97-P101 WeakPolarHBondContact O-CA 3.5Å; K97-P101 VanDerWaalsContact O-N 3.12Å; K99-P101 VanDerWaalsContact C-CD 3.48Å
102A96.1Very high97.9Very high79 Ų7918.7 Ų18.765%0.65310%0.1SC*.THydrogen-bonded Turntrans-86.5-0.4178.600000114.6Y100Y100-A102 PolarHBondContact O-N 2.91Å; Y100-A102 VanDerWaalsContact O-N 3.13Å
103R97.5Very high97.9Very high101 Ų10118.7 Ų18.738%0.38110%0.1SC..THydrogen-bonded Turntrans-118.1-15-179.4-58.2-61.8-178.5-125.31.1113.6L68 P69 N72 Y73 Y100L68-R103 HydrophobicContact CD2-CB 3.92Å; P69-R103 HydrophobicContact CB-CG 4.36Å; P69-R103 PolarHBondContact O-NE 2.97Å; N72-R103 CarbonylContact C-O 3.55Å; N72-R103 WeakPolarHBondContact CA-O 3.21Å; N72-R103 WeakPolarHBondContact OD1-CD 3.46Å; N72-R103 PolarHBondContact OD1-NH1 3.14Å; Y73-R103 PolarHBondContact N-O 3.27Å; Y100-R103 PolarHBondContact O-N 3.35Å
104I98.1Very high97.9Very high0 Ų021.9 Ų21.90%011%0.112CC..EExtended strand (participates in β ladder)trans-116.3115.4-179.7-59.2-61.2000108.9L68 Y73 L96 K97 Y100 L106L68-I104 HydrophobicContact CD1-CD1 3.78Å; L68-I104 HydrophobicContact CD2-CD1 3.77Å; L68-I104 HydrophobicContact CG-CD1 4.41Å; Y73-I104 HydrophobicContact CG-CD1 4.49Å; L96-I104 HydrophobicContact CB-CD1 4.36Å; L96-I104 HydrophobicContact CB-CG1 4.09Å; K97-I104 HydrophobicContact CB-CB 4.5Å; K97-I104 HydrophobicContact CB-CG2 4.11Å; K97-I104 HydrophobicContact CD-CB 4.27Å; K97-I104 HydrophobicContact CD-CG2 4.31Å; K97-I104 WeakPolarHBondContact CD-O 3.38Å; K97-I104 PolarHBondContact NZ-O 3.01Å; Y100-I104 PolarHBondContact O-N 3.22Å; Y100-I104 VanDerWaalsContact O-N 3.12Å; I104-L106 HydrophobicContact CG2-CD2 3.66Å; I104-L106 HydrophobicContact CG2-CG 3.94Å
105T98.7Very high97.8Very high9 Ų926.3 Ų26.36%0.05513%0.133CC..EExtended strand (participates in β ladder)trans-108.3123.7171.3-58.50000108.5Q39 V41 Y73 I74 F75 L107 A150Q39-T105 HydrophobicContact CB-CG2 4.05Å; Q39-T105 HydrophobicContact CG-CG2 4.1Å; V41-T105 HydrophobicContact CG2-CG2 4.43Å; V41-T105 WeakPolarHBondContact CG2-OG1 3.34Å; Y73-T105 PolarHBondContact O-N 3.31Å; I74-T105 WeakPolarHBondContact CA-O 3.46Å; F75-T105 PolarHBondContact N-O 3.33Å; T105-L107 HydrophobicContact CG2-CD2 3.91Å; T105-A150 HydrophobicContact CG2-CB 4.06Å
106L98.8Very high97.7Very high0 Ų026.9 Ų26.90%014%0.136CC..EExtended strand (participates in β ladder)trans-111.4112.4179.4-57-179.6000108.1F75 F79 L93 L94 K97 I104 L146 T147F75-L106 HydrophobicContact CB-CD2 3.96Å; F75-L106 HydrophobicContact CD2-CD2 3.95Å; F75-L106 HydrophobicContact CG-CD2 4.25Å; F79-L106 HydrophobicContact CE2-CB 4.28Å; F79-L106 HydrophobicContact CZ-CB 4.17Å; F79-L106 HydrophobicContact CZ-CD2 4.29Å; L93-L106 HydrophobicContact CB-CD1 4.45Å; L93-L106 HydrophobicContact CB-CD2 4.23Å; L94-L106 HydrophobicContact CD2-CD1 4.09Å; K97-L106 HydrophobicContact CB-CD1 4.04Å; K97-L106 HydrophobicContact CG-CD1 4.38Å; I104-L106 HydrophobicContact CG2-CD2 3.66Å; I104-L106 HydrophobicContact CG2-CG 3.94Å; L106-L146 HydrophobicContact CB-CD2 3.64Å; L106-L146 HydrophobicContact CD1-CD2 4.38Å; L106-T147 PolarHBondContact O-N 2.63Å; L106-T147 PolarHBondContact O-OG1 3.16Å
107L98.8Very high97.8Very high0 Ų026.5 Ų26.50%013%0.134CC..BIsolated β-bridgetrans-85.9151.7172.8-49.8-170.7000109.9I74 F75 M76 G77 F79 T105 T147 A149 A150 C158I74-L107 HydrophobicContact CG2-CD1 4.06Å; I74-L107 HydrophobicContact CG2-CG 4.08Å; F75-L107 PolarHBondContact O-N 2.82Å; M76-L107 HydrophobicContact CB-CD1 4.39Å; M76-L107 HydrophobicContact CG-CD1 4.06Å; G77-L107 VanDerWaalsContact CA-O 3.3Å; G77-L107 WeakPolarHBondContact CA-O 3.17Å; G77-L107 PolarHBondContact N-O 2.82Å; F79-L107 WeakPolarHBondContact CZ-O 3.33Å; T105-L107 HydrophobicContact CG2-CD2 3.91Å; L107-T147 CarbonylContact C-O 3.49Å; L107-T147 VanDerWaalsContact CA-O 3.22Å; L107-T147 WeakPolarHBondContact CA-O 3.32Å; L107-T147 VanDerWaalsContact CD2-OG1 3.22Å; L107-T147 WeakPolarHBondContact CD2-OG1 3.42Å; L107-A149 VanDerWaalsContact CD2-C 3.44Å; L107-A150 HydrophobicContact CD2-CB 4.03Å; L107-C158 HydrophobicContact CD1-CB 4.02Å; L107-C158 WeakPolarHBondContact CD1-O 3.26Å
108R98.7Very high97.6Very high0 Ų031.1 Ų31.10%016%0.156CC..  trans-76.7130.7172.4-160.2173.4-174.5167.54.7109.5E112 F143 D144 L146 T147 H160 R178 M180 L192R108-E112 HydrophobicContact CG-CB 3.87Å; R108-E112 PolarHBondContact NE-O 2.92Å; R108-E112 PolarHBondContact NH2-O 2.87Å; R108-E112 VanDerWaalsContact NH2-O 3.08Å; R108-F143 WeakPolarHBondContact CD-O 3.42Å; R108-F143 VanDerWaalsContact CZ-O 3.24Å; R108-F143 PolarHBondContact NE-O 2.88Å; R108-F143 VanDerWaalsContact NE-O 3.17Å; R108-D144 IonicContact CZ-OD1 3.7Å; R108-D144 IonicContact NH1-OD1 3.34Å; R108-D144 IonicContact NH2-OD1 3.34Å; R108-D144 PolarHBondContact NH2-OD1 3.09Å; R108-L146 HydrophobicContact CB-CB 3.7Å; R108-L146 HydrophobicContact CB-CD1 4.38Å; R108-L146 HydrophobicContact CG-CB 4.09Å; R108-L146 HydrophobicContact CG-CD1 4.27Å; R108-T147 PolarHBondContact N-O 3.36Å; R108-H160 WeakPolarHBondContact O-CB 3.32Å; R108-R178 PolarHBondContact NH1-O 2.93Å; R108-R178 VanDerWaalsContact NH1-O 3.13Å; R108-M180 PolarHBondContact NH1-O 3.2Å; R108-M180 PolarHBondContact NH2-O 3.08Å; R108-L192 HydrophobicContact CG-CD1 4.43Å; R108-L192 WeakPolarHBondContact O-CD2 3.33Å
109G98.6Very high97.4Very high0 Ų035.6 Ų35.60%019%0.186CC..  trans-99178.1165.300000112.1D78 H111 E112 H160D78-G109 WeakPolarHBondContact OD1-CA 3.33Å; G109-H111 VanDerWaalsContact C-N 3.25Å; G109-H111 PolarHBondContact O-N 3.21Å; G109-E112 WeakPolarHBondContact CA-OE2 3.35Å; G109-E112 PolarHBondContact N-OE2 3.34Å; G109-E112 PolarHBondContact O-N 3.02Å; G109-H160 VanDerWaalsContact CA-CD2 3.42Å; G109-H160 WeakPolarHBondContact CA-CD2 3.46Å; G109-H160 VanDerWaalsContact CA-CG 3.44Å
110N98.2Very high97.3Very high3 Ų336.7 Ų36.72%0.01619%0.189CC..THydrogen-bonded Turntrans-73-23.4177.168.9-68.9000112D78 E112 S113 V116 H160 L192 W193 H234D78-N110 PolarHBondContact OD1-N 3.3Å; D78-N110 VanDerWaalsContact OD1-N 3.14Å; D78-N110 PolarHBondContact OD1-OD1 3.08Å; D78-N110 PolarHBondContact OD2-OD1 3.37Å; N110-E112 VanDerWaalsContact C-N 3.31Å; N110-S113 WeakPolarHBondContact O-CB 3.26Å; N110-S113 PolarHBondContact O-OG 2.69Å; N110-V116 WeakPolarHBondContact O-CG2 3.37Å; N110-H160 PolarHBondContact N-CD2 3.31Å; N110-H160 PolarHBondContact N-NE2 3.13Å; N110-H160 PolarHBondContact OD1-NE2 3.15Å; N110-L192 HydrophobicContact CB-CB 4.41Å; N110-W193 HydrophobicContact CB-CD2 3.94Å; N110-W193 VanDerWaalsContact CB-CE2 3.49Å; N110-W193 HydrophobicContact CB-CG 4.37Å; N110-W193 HydrophobicContact CB-CH2 4.35Å; N110-W193 HydrophobicContact CB-CZ2 3.72Å; N110-W193 WeakPolarHBondContact ND2-CH2 3.44Å; N110-W193 WeakPolarHBondContact ND2-CZ2 3.22Å; N110-H234 PolarHBondContact OD1-CE1 2.69Å; N110-H234 PolarHBondContact OD1-ND1 3.1Å
111H98.3Very high97Very high10 Ų1034.1 Ų34.15%0.04618%0.179CC..THydrogen-bonded Turntrans-75.8-12.8172.6-75.7-99.9000114H52 D78 V80 D81 G109 S113 V116 T117 Y120H52-H111 AromaticContact CE1-CD2 3.61Å; H52-H111 AromaticContact CE1-CE1 3.98Å; H52-H111 AromaticContact CE1-CG 3.88Å; H52-H111 AromaticContact CE1-NE2 3.7Å; D78-H111 HydrophobicContact CB-CB 4.45Å; D78-H111 VanDerWaalsContact CG-CD2 3.42Å; D78-H111 VanDerWaalsContact OD1-CB 3.29Å; D78-H111 WeakPolarHBondContact OD1-CB 3.17Å; D78-H111 IonicContact OD1-CD2 3.96Å; D78-H111 PolarHBondContact OD1-CD2 3.29Å; D78-H111 IonicContact OD1-CG 3.9Å; D78-H111 PolarHBondContact OD1-N 3.35Å; D78-H111 IonicContact OD2-CD2 2.63Å; D78-H111 PolarHBondContact OD2-CD2 2.82Å; D78-H111 IonicContact OD2-CG 3.91Å; D78-H111 IonicContact OD2-NE2 3.21Å; V80-H111 HydrophobicContact CG2-CB 4.25Å; V80-H111 WeakPolarHBondContact CG2-O 3.46Å; D81-H111 VanDerWaalsContact CB-ND1 3.33Å; D81-H111 WeakPolarHBondContact CB-ND1 3.5Å; D81-H111 IonicContact OD2-CE1 2.83Å; D81-H111 IonicContact OD2-CG 3.08Å; D81-H111 IonicContact OD2-ND1 3.6Å; D81-H111 PolarHBondContact OD2-ND1 3.01Å; G109-H111 VanDerWaalsContact C-N 3.25Å; G109-H111 PolarHBondContact O-N 3.21Å; H111-S113 PolarHBondContact O-N 3.47Å; H111-V116 HydrophobicContact CB-CG1 4.16Å; H111-V116 VanDerWaalsContact CE1-CG1 3.44Å; H111-V116 WeakPolarHBondContact CE1-CG1 3.09Å; H111-V116 WeakPolarHBondContact ND1-CG1 3.42Å; H111-T117 WeakPolarHBondContact O-CG2 3.38Å; H111-Y120 AromaticContact CE1-CD2 3.84Å; H111-Y120 AromaticContact CE1-CG 3.92Å
112E98.5Very high97Very high0 Ų031.7 Ų31.70%016%0.163CC..SBendtrans-84.256.6170.4-75.173.6-133.800111.4D78 F79 R108 G109 N110 F143 L146D78-E112 PolarHBondContact N-OE2 3.45Å; F79-E112 HydrophobicContact CD2-CG 4.17Å; F79-E112 PolarHBondContact N-OE1 2.82Å; R108-E112 HydrophobicContact CG-CB 3.87Å; R108-E112 PolarHBondContact NE-O 2.92Å; R108-E112 PolarHBondContact NH2-O 2.87Å; R108-E112 VanDerWaalsContact NH2-O 3.08Å; G109-E112 WeakPolarHBondContact CA-OE2 3.35Å; G109-E112 PolarHBondContact N-OE2 3.34Å; G109-E112 PolarHBondContact O-N 3.02Å; N110-E112 VanDerWaalsContact C-N 3.31Å; E112-F143 HydrophobicContact CB-CB 3.95Å; E112-F143 HydrophobicContact CB-CD1 3.83Å; E112-F143 HydrophobicContact CB-CD2 4.04Å; E112-F143 HydrophobicContact CB-CE1 4.28Å; E112-F143 HydrophobicContact CB-CE2 4.48Å; E112-F143 HydrophobicContact CB-CG 3.69Å; E112-F143 HydrophobicContact CG-CD1 3.56Å; E112-F143 HydrophobicContact CG-CD2 4.36Å; E112-F143 HydrophobicContact CG-CE1 3.6Å; E112-F143 HydrophobicContact CG-CE2 4.41Å; E112-F143 HydrophobicContact CG-CG 3.95Å; E112-F143 HydrophobicContact CG-CZ 4.04Å; E112-F143 WeakPolarHBondContact O-CB 3.43Å; E112-L146 HydrophobicContact CB-CD1 3.91Å; E112-L146 HydrophobicContact CG-CD1 3.64Å
113S98.1Very high97Very high5 Ų531 Ų314%0.03514%0.144CC..SBendtrans-146.1150.5-176.9740000111.6N110 H111 V116 T117 E181N110-S113 WeakPolarHBondContact O-CB 3.26Å; N110-S113 PolarHBondContact O-OG 2.69Å; H111-S113 PolarHBondContact O-N 3.47Å; S113-V116 VanDerWaalsContact OG-CB 3.23Å; S113-V116 WeakPolarHBondContact OG-CB 3.49Å; S113-V116 WeakPolarHBondContact OG-CG2 3.32Å; S113-V116 PolarHBondContact OG-N 3.34Å; S113-T117 WeakPolarHBondContact O-CB 3.4Å; S113-T117 WeakPolarHBondContact O-CG2 3.34Å; S113-T117 PolarHBondContact O-N 2.78Å; S113-T117 VanDerWaalsContact O-N 3.11Å; S113-T117 PolarHBondContact O-OG1 3.34Å; S113-E181 WeakPolarHBondContact CA-OE1 3.18Å; S113-E181 VanDerWaalsContact CB-OE1 3.22Å; S113-E181 WeakPolarHBondContact CB-OE1 3.33Å
114R97.9Very high96.9Very high67 Ų6729.2 Ų29.225%0.25314%0.142SC..Hα-helixtrans-65.4-43.3-177.2-68.8166.6-176.771.90.5111V116 T117 Q118 W136 C140 D144 E181R114-V116 PolarHBondContact O-N 3.29Å; R114-T117 PolarHBondContact O-OG1 3.41Å; R114-Q118 WeakPolarHBondContact O-CB 3.09Å; R114-Q118 VanDerWaalsContact O-CG 3.27Å; R114-Q118 WeakPolarHBondContact O-CG 3.46Å; R114-Q118 PolarHBondContact O-N 2.79Å; R114-Q118 VanDerWaalsContact O-N 3.16Å; R114-W136 HydrophobicContact CB-CH2 3.93Å; R114-W136 HydrophobicContact CB-CZ2 3.79Å; R114-W136 HydrophobicContact CG-CH2 3.83Å; R114-W136 HydrophobicContact CG-CZ2 3.84Å; R114-C140 HydrophobicContact CG-CB 4.21Å; R114-D144 IonicContact CZ-OD1 3.87Å; R114-D144 IonicContact CZ-OD2 2.71Å; R114-D144 IonicContact NH1-OD1 3.83Å; R114-D144 PolarHBondContact NH1-OD1 2.82Å; R114-D144 IonicContact NH1-OD2 3.4Å; R114-D144 PolarHBondContact NH1-OD2 3.19Å; R114-D144 VanDerWaalsContact NH1-OD2 3.15Å; R114-D144 IonicContact NH2-OD1 2.69Å; R114-D144 IonicContact NH2-OD2 2.86Å; R114-D144 PolarHBondContact NH2-OD2 3.37Å; R114-E181 VanDerWaalsContact CB-OE2 3.28Å; R114-E181 WeakPolarHBondContact CB-OE2 3.21Å; R114-E181 WeakPolarHBondContact CD-OE2 3.49Å; R114-E181 WeakPolarHBondContact CG-OE2 3.41Å; R114-E181 IonicContact CZ-OE2 2.73Å; R114-E181 PolarHBondContact N-OE1 2.88Å; R114-E181 PolarHBondContact N-OE2 3.2Å; R114-E181 IonicContact NE-OE2 3.15Å; R114-E181 IonicContact NH1-OE2 3.78Å; R114-E181 PolarHBondContact NH1-OE2 3.37Å
115Q95.9Very high96.8Very high93 Ų9329.2 Ų29.244%0.43514%0.142SC..Hα-helixtrans-63.7-44.5-176.9-65.2-176.30.400111.8C119 H184Q115-C119 PolarHBondContact O-N 2.96Å; Q115-C119 PolarHBondContact O-SG 3.32Å; Q115-H184 PolarHBondContact NE2-CE1 3.03Å; Q115-H184 PolarHBondContact NE2-NE2 3.04Å; Q115-H184 PolarHBondContact OE1-CE1 3.42Å
116V96.8Very high96.7Very high12 Ų1228.8 Ų28.87%0.07314%0.14CC..Hα-helixtrans-72.1-44.7-177.1-178.80000110.4N110 H111 S113 R114 Q118 C119 Y120 W193N110-V116 WeakPolarHBondContact O-CG2 3.37Å; H111-V116 HydrophobicContact CB-CG1 4.16Å; H111-V116 VanDerWaalsContact CE1-CG1 3.44Å; H111-V116 WeakPolarHBondContact CE1-CG1 3.09Å; H111-V116 WeakPolarHBondContact ND1-CG1 3.42Å; S113-V116 VanDerWaalsContact OG-CB 3.23Å; S113-V116 WeakPolarHBondContact OG-CB 3.49Å; S113-V116 WeakPolarHBondContact OG-CG2 3.32Å; S113-V116 PolarHBondContact OG-N 3.34Å; R114-V116 PolarHBondContact O-N 3.29Å; V116-Q118 VanDerWaalsContact C-N 3.26Å; V116-Q118 PolarHBondContact O-N 3.16Å; V116-C119 WeakPolarHBondContact O-CA 3.35Å; V116-C119 WeakPolarHBondContact O-CB 3.43Å; V116-C119 PolarHBondContact O-N 2.69Å; V116-Y120 HydrophobicContact CB-CD2 4.4Å; V116-Y120 HydrophobicContact CG1-CD2 3.43Å; V116-Y120 VanDerWaalsContact CG1-CD2 3.43Å; V116-Y120 HydrophobicContact CG1-CE2 3.86Å; V116-Y120 HydrophobicContact CG1-CG 4.46Å; V116-Y120 WeakPolarHBondContact O-CD2 3.42Å; V116-Y120 PolarHBondContact O-N 3.12Å; V116-W193 HydrophobicContact CG2-CH2 4.28Å; V116-W193 HydrophobicContact CG2-CZ2 3.91Å
117T97.4Very high96.6Very high0 Ų031.1 Ų31.10%015%0.152CC..Hα-helixtrans-65.7-25.5-179.553.90000114.7V80 D81 H111 S113 R114 G121 F122 Y123 W136 F143V80-T117 HydrophobicContact CG2-CG2 3.83Å; D81-T117 WeakPolarHBondContact OD2-CA 3.34Å; H111-T117 WeakPolarHBondContact O-CG2 3.38Å; S113-T117 WeakPolarHBondContact O-CB 3.4Å; S113-T117 WeakPolarHBondContact O-CG2 3.34Å; S113-T117 PolarHBondContact O-N 2.78Å; S113-T117 VanDerWaalsContact O-N 3.11Å; S113-T117 PolarHBondContact O-OG1 3.34Å; R114-T117 PolarHBondContact O-OG1 3.41Å; T117-G121 PolarHBondContact O-N 3.09Å; T117-F122 HydrophobicContact CG2-CB 4.03Å; T117-F122 HydrophobicContact CG2-CD1 3.71Å; T117-F122 HydrophobicContact CG2-CG 4.34Å; T117-F122 PolarHBondContact O-N 2.94Å; T117-Y123 WeakPolarHBondContact O-CB 3.41Å; T117-Y123 PolarHBondContact O-N 2.84Å; T117-W136 PolarHBondContact OG1-NE1 3.03Å; T117-F143 HydrophobicContact CG2-CE2 4.14Å
118Q95.7Very high96.3Very high97 Ų9734.3 Ų34.345%0.45317%0.169SC..Hα-helixtrans-74.3-27170.3-73.4-178.5-53.400112.8R114 V116 Y123 W136R114-Q118 WeakPolarHBondContact O-CB 3.09Å; R114-Q118 VanDerWaalsContact O-CG 3.27Å; R114-Q118 WeakPolarHBondContact O-CG 3.46Å; R114-Q118 PolarHBondContact O-N 2.79Å; R114-Q118 VanDerWaalsContact O-N 3.16Å; V116-Q118 VanDerWaalsContact C-N 3.26Å; V116-Q118 PolarHBondContact O-N 3.16Å; Q118-Y123 HydrophobicContact CG-CD2 4.21Å; Q118-Y123 HydrophobicContact CG-CG 4.06Å; Q118-W136 HydrophobicContact CG-CH2 4.21Å; Q118-W136 HydrophobicContact CG-CZ2 3.83Å
119C93.2Very high96.1Very high98 Ų9835.3 Ų35.366%0.66217%0.173SC*.Hα-helixtrans-88.5-31.5-179.9-63.70000113.1Q115 V116Q115-C119 PolarHBondContact O-N 2.96Å; Q115-C119 PolarHBondContact O-SG 3.32Å; V116-C119 WeakPolarHBondContact O-CA 3.35Å; V116-C119 WeakPolarHBondContact O-CB 3.43Å; V116-C119 PolarHBondContact O-N 2.69Å
120Y93.4Very high96Very high89 Ų8937 Ų3735%0.34918%0.18SC..Hα-helixtrans-115.78.1-167.9-65.4-79000115.6D81 R82 H111 V116D81-Y120 VanDerWaalsContact CG-CB 3.48Å; D81-Y120 VanDerWaalsContact OD1-C 3.24Å; R82-Y120 PolarHBondContact N-O 2.69Å; R82-Y120 VanDerWaalsContact NE-CD1 3.32Å; H111-Y120 AromaticContact CE1-CD2 3.84Å; H111-Y120 AromaticContact CE1-CG 3.92Å; V116-Y120 HydrophobicContact CB-CD2 4.4Å; V116-Y120 HydrophobicContact CG1-CD2 3.43Å; V116-Y120 VanDerWaalsContact CG1-CD2 3.43Å; V116-Y120 HydrophobicContact CG1-CE2 3.86Å; V116-Y120 HydrophobicContact CG1-CG 4.46Å; V116-Y120 WeakPolarHBondContact O-CD2 3.42Å; V116-Y120 PolarHBondContact O-N 3.12Å
121G91.7Very high96Very high2 Ų240.1 Ų40.12%0.02121%0.213CC..SBendtrans116.6-15.615600000116.7D81 T117 Y123 D124 E125 Y300D81-G121 PolarHBondContact OD1-N 2.96Å; T117-G121 PolarHBondContact O-N 3.09Å; G121-Y123 VanDerWaalsContact C-N 3.31Å; G121-Y123 PolarHBondContact O-N 3.14Å; G121-D124 PolarHBondContact O-N 3.22Å; G121-E125 WeakPolarHBondContact O-CB 3.46Å; G121-E125 PolarHBondContact O-N 2.81Å; G121-Y300 VanDerWaalsContact CA-CE1 3.44Å; G121-Y300 VanDerWaalsContact O-CE1 3.23Å; G121-Y300 WeakPolarHBondContact O-CE1 3.31Å
122F96.7Very high95.9Very high0 Ų041.9 Ų41.90%022%0.222CC..Hα-helixtrans-64.4-34.5-178179-128.8000113.2V80 D81 S86 L87 L90 T117 E125 C126 W136 C139 F143V80-F122 HydrophobicContact CB-CB 4.1Å; V80-F122 HydrophobicContact CB-CD1 4.13Å; V80-F122 HydrophobicContact CB-CD2 4.25Å; V80-F122 HydrophobicContact CB-CG 3.9Å; V80-F122 HydrophobicContact CG1-CD1 4.1Å; V80-F122 HydrophobicContact CG1-CD2 4.14Å; V80-F122 HydrophobicContact CG1-CE1 4.13Å; V80-F122 HydrophobicContact CG1-CE2 4.16Å; V80-F122 HydrophobicContact CG1-CG 4.1Å; V80-F122 HydrophobicContact CG1-CZ 4.15Å; V80-F122 HydrophobicContact CG2-CB 4.32Å; V80-F122 HydrophobicContact CG2-CD1 4.12Å; V80-F122 HydrophobicContact CG2-CG 4.26Å; D81-F122 WeakPolarHBondContact OD1-CB 3.47Å; D81-F122 PolarHBondContact OD1-N 3.33Å; S86-F122 VanDerWaalsContact CB-CD2 3.48Å; L87-F122 HydrophobicContact CB-CE2 4.15Å; L87-F122 HydrophobicContact CD1-CE2 4.34Å; L90-F122 HydrophobicContact CD2-CE1 4.31Å; L90-F122 HydrophobicContact CD2-CZ 3.88Å; T117-F122 HydrophobicContact CG2-CB 4.03Å; T117-F122 HydrophobicContact CG2-CD1 3.71Å; T117-F122 HydrophobicContact CG2-CG 4.34Å; T117-F122 PolarHBondContact O-N 2.94Å; F122-E125 PolarHBondContact O-N 2.97Å; F122-C126 VanDerWaalsContact CE2-SG 3.51Å; F122-C126 PolarHBondContact O-N 3.03Å; F122-C126 VanDerWaalsContact O-N 3.1Å; F122-C126 PolarHBondContact O-SG 3.41Å; F122-W136 AromaticContact CD1-CD1 3.79Å; F122-W136 AromaticContact CE1-CD1 3.99Å; F122-C139 HydrophobicContact CE1-CB 3.86Å; F122-C139 HydrophobicContact CZ-CB 3.91Å; F122-F143 HydrophobicContact CD1-CE2 4.18Å; F122-F143 HydrophobicContact CD1-CZ 4.22Å; F122-F143 AromaticContact CE1-CE2 3.87Å; F122-F143 HydrophobicContact CE1-CE2 3.87Å; F122-F143 AromaticContact CE1-CZ 3.67Å; F122-F143 HydrophobicContact CE1-CZ 3.67Å; F122-F143 HydrophobicContact CZ-CZ 4.47Å
123Y96.9Very high95.9Very high64 Ų6442.8 Ų42.825%0.25123%0.23SC..Hα-helixtrans-58.6-52173.2178.9-101.7000111.9T117 Q118 G121 E125 C126 I127 A133 W136T117-Y123 WeakPolarHBondContact O-CB 3.41Å; T117-Y123 PolarHBondContact O-N 2.84Å; Q118-Y123 HydrophobicContact CG-CD2 4.21Å; Q118-Y123 HydrophobicContact CG-CG 4.06Å; G121-Y123 VanDerWaalsContact C-N 3.31Å; G121-Y123 PolarHBondContact O-N 3.14Å; Y123-E125 VanDerWaalsContact C-N 3.33Å; Y123-E125 PolarHBondContact O-N 3.2Å; Y123-C126 WeakPolarHBondContact O-CB 3.38Å; Y123-C126 PolarHBondContact O-N 3.32Å; Y123-I127 HydrophobicContact CD1-CD1 3.92Å; Y123-I127 HydrophobicContact CE1-CD1 3.27Å; Y123-I127 HydrophobicContact CE1-CG1 4.43Å; Y123-I127 HydrophobicContact CE2-CD1 4.15Å; Y123-I127 VanDerWaalsContact CZ-CD1 3.4Å; Y123-I127 PolarHBondContact O-N 2.99Å; Y123-I127 VanDerWaalsContact O-N 3.15Å; Y123-A133 HydrophobicContact CE2-CB 4Å; Y123-W136 HydrophobicContact CD2-CB 4.4Å; Y123-W136 AromaticContact CD2-CD2 3.49Å; Y123-W136 HydrophobicContact CD2-CD2 3.49Å; Y123-W136 VanDerWaalsContact CD2-CD2 3.49Å; Y123-W136 AromaticContact CD2-CE2 3.7Å; Y123-W136 AromaticContact CD2-CE3 3.69Å; Y123-W136 HydrophobicContact CD2-CE3 3.69Å; Y123-W136 AromaticContact CD2-CG 3.8Å; Y123-W136 HydrophobicContact CD2-CG 3.8Å; Y123-W136 HydrophobicContact CD2-CH2 4.28Å; Y123-W136 HydrophobicContact CD2-CZ2 4.11Å; Y123-W136 HydrophobicContact CD2-CZ3 4.08Å; Y123-W136 HydrophobicContact CE2-CD2 4.07Å; Y123-W136 AromaticContact CE2-CE3 3.78Å; Y123-W136 HydrophobicContact CE2-CE3 3.78Å; Y123-W136 HydrophobicContact CE2-CZ3 4.01Å
124D95Very high95.9Very high64 Ų6445.8 Ų45.834%0.34225%0.246SC..Hα-helixtrans-64.9-38.9-179.8-68.3-29.7000111.6G121 C126 I127 N128G121-D124 PolarHBondContact O-N 3.22Å; D124-C126 VanDerWaalsContact C-N 3.31Å; D124-C126 PolarHBondContact O-N 2.97Å; D124-I127 PolarHBondContact O-N 3.03Å; D124-N128 WeakPolarHBondContact O-CB 3.38Å; D124-N128 PolarHBondContact O-N 2.9Å; D124-N128 PolarHBondContact O-ND2 3.11Å; D124-N128 VanDerWaalsContact O-ND2 3.08Å
125E95Very high95.9Very high0 Ų042.6 Ų42.60%023%0.234CC..Hα-helixtrans-57.6-44.8175.9-172.4-173.1148.300111.3S86 L87 G121 F122 Y123 N128 K129 T298 Y300S86-E125 WeakPolarHBondContact CB-OE2 3.43Å; S86-E125 PolarHBondContact N-OE1 3.33Å; S86-E125 VanDerWaalsContact N-OE1 3.14Å; S86-E125 PolarHBondContact N-OE2 2.87Å; S86-E125 VanDerWaalsContact N-OE2 3.13Å; S86-E125 PolarHBondContact OG-OE2 3.08Å; S86-E125 VanDerWaalsContact OG-OE2 3.06Å; L87-E125 VanDerWaalsContact CB-OE1 3.24Å; L87-E125 WeakPolarHBondContact CB-OE1 3.44Å; L87-E125 PolarHBondContact N-OE1 2.86Å; G121-E125 WeakPolarHBondContact O-CB 3.46Å; G121-E125 PolarHBondContact O-N 2.81Å; F122-E125 PolarHBondContact O-N 2.97Å; Y123-E125 VanDerWaalsContact C-N 3.33Å; Y123-E125 PolarHBondContact O-N 3.2Å; E125-N128 PolarHBondContact O-N 2.98Å; E125-K129 HydrophobicContact CG-CD 4.03Å; E125-K129 WeakPolarHBondContact O-CB 3.19Å; E125-K129 WeakPolarHBondContact O-CG 3.49Å; E125-K129 PolarHBondContact O-N 2.89Å; E125-K129 IonicContact OE1-NZ 2.77Å; E125-K129 PolarHBondContact OE1-NZ 2.95Å; E125-T298 HydrophobicContact CG-CG2 4.45Å; E125-Y300 HydrophobicContact CB-CE1 4.48Å; E125-Y300 PolarHBondContact OE2-OH 3.04Å
126C96.6Very high96.1Very high0 Ų038.7 Ų38.70%022%0.215CC..Hα-helixtrans-62.3-47.1176.9-710000112.1F122 Y123 D124 N128 K129 Y130 P135 W136F122-C126 VanDerWaalsContact CE2-SG 3.51Å; F122-C126 PolarHBondContact O-N 3.03Å; F122-C126 VanDerWaalsContact O-N 3.1Å; F122-C126 PolarHBondContact O-SG 3.41Å; Y123-C126 WeakPolarHBondContact O-CB 3.38Å; Y123-C126 PolarHBondContact O-N 3.32Å; D124-C126 VanDerWaalsContact C-N 3.31Å; D124-C126 PolarHBondContact O-N 2.97Å; C126-N128 PolarHBondContact O-N 3.29Å; C126-K129 PolarHBondContact O-N 3.05Å; C126-Y130 PolarHBondContact O-N 3.17Å; C126-P135 HydrophobicContact CB-CB 4.34Å; C126-W136 HydrophobicContact CB-CB 3.84Å
127I96.4Very high96.1Very high50 Ų5042.2 Ų42.226%0.25623%0.23SC..Hα-helixtrans-62-44.6178.6-69.7179.1000110.8Y123 D124 K129 G131 A133Y123-I127 HydrophobicContact CD1-CD1 3.92Å; Y123-I127 HydrophobicContact CE1-CD1 3.27Å; Y123-I127 HydrophobicContact CE1-CG1 4.43Å; Y123-I127 HydrophobicContact CE2-CD1 4.15Å; Y123-I127 VanDerWaalsContact CZ-CD1 3.4Å; Y123-I127 PolarHBondContact O-N 2.99Å; Y123-I127 VanDerWaalsContact O-N 3.15Å; D124-I127 PolarHBondContact O-N 3.03Å; I127-K129 VanDerWaalsContact C-N 3.31Å; I127-K129 PolarHBondContact O-N 3.14Å; I127-G131 WeakPolarHBondContact O-CA 3.47Å; I127-G131 PolarHBondContact O-N 3.17Å; I127-A133 HydrophobicContact CD1-CB 4.39Å; I127-A133 HydrophobicContact CG1-CB 4.27Å
128N94.3Very high96.2Very high67 Ų6744.4 Ų44.436%0.35824%0.239SC..Hα-helixtrans-67.7-31.8-177.6-70.6-34.3000112.6D124 E125 C126 R296 I297D124-N128 WeakPolarHBondContact O-CB 3.38Å; D124-N128 PolarHBondContact O-N 2.9Å; D124-N128 PolarHBondContact O-ND2 3.11Å; D124-N128 VanDerWaalsContact O-ND2 3.08Å; E125-N128 PolarHBondContact O-N 2.98Å; C126-N128 PolarHBondContact O-N 3.29Å; N128-R296 PolarHBondContact ND2-O 3.3Å; N128-R296 VanDerWaalsContact ND2-O 3.15Å; N128-I297 HydrophobicContact CB-CG2 4.33Å; N128-I297 PolarHBondContact ND2-O 3.41Å
129K94.7Very high96.3Very high21 Ų2139.8 Ų39.89%0.09122%0.217CC..Hα-helixtrans-83.2-36.2-179.5-71.9-179.6-179.7175.80113.9Y15 L87 E88 E125 C126 I127 I297Y15-K129 HydrophobicContact CD1-CD 3.98Å; Y15-K129 HydrophobicContact CD1-CG 4.46Å; Y15-K129 HydrophobicContact CE1-CB 4.08Å; Y15-K129 HydrophobicContact CE1-CD 4.14Å; Y15-K129 HydrophobicContact CE1-CG 4.12Å; Y15-K129 HydrophobicContact CE2-CB 4.37Å; Y15-K129 PolarHBondContact OH-O 3.23Å; L87-K129 HydrophobicContact CB-CD 4.46Å; L87-K129 HydrophobicContact CD2-CB 4.36Å; L87-K129 HydrophobicContact CD2-CD 3.58Å; E88-K129 IonicContact OE1-NZ 3.88Å; E88-K129 PolarHBondContact OE1-NZ 3.43Å; E88-K129 IonicContact OE2-NZ 3.63Å; E88-K129 PolarHBondContact OE2-NZ 2.91Å; E125-K129 HydrophobicContact CG-CD 4.03Å; E125-K129 WeakPolarHBondContact O-CB 3.19Å; E125-K129 WeakPolarHBondContact O-CG 3.49Å; E125-K129 PolarHBondContact O-N 2.89Å; E125-K129 IonicContact OE1-NZ 2.77Å; E125-K129 PolarHBondContact OE1-NZ 2.95Å; C126-K129 PolarHBondContact O-N 3.05Å; I127-K129 VanDerWaalsContact C-N 3.31Å; I127-K129 PolarHBondContact O-N 3.14Å; K129-I297 HydrophobicContact CD-CG2 4.42Å; K129-I297 HydrophobicContact CG-CG2 3.86Å
130Y96.5Very high96.6Very high35 Ų3535.2 Ų35.214%0.13719%0.186CC..Hα-helixtrans-111.4-8.1-176.3-66.8-88.7000114.8Y15 L16 E18 L21 L87 C126 N132 P135Y15-Y130 HydrophobicContact CD2-CD1 4.46Å; Y15-Y130 AromaticContact CD2-CE1 3.7Å; Y15-Y130 HydrophobicContact CD2-CE1 3.7Å; Y15-Y130 HydrophobicContact CD2-CE2 4.03Å; Y15-Y130 AromaticContact CD2-CZ 3.45Å; Y15-Y130 VanDerWaalsContact CD2-CZ 3.45Å; Y15-Y130 WeakPolarHBondContact CD2-OH 3.44Å; Y15-Y130 HydrophobicContact CE2-CD1 4.24Å; Y15-Y130 AromaticContact CE2-CE1 3.91Å; Y15-Y130 HydrophobicContact CE2-CE1 3.91Å; Y15-Y130 HydrophobicContact CE2-CE2 4.45Å; L16-Y130 VanDerWaalsContact O-CE1 3.24Å; L16-Y130 WeakPolarHBondContact O-CE1 3.22Å; L16-Y130 PolarHBondContact O-OH 2.88Å; E18-Y130 HydrophobicContact CB-CD1 3.92Å; E18-Y130 HydrophobicContact CB-CE1 4.08Å; L21-Y130 HydrophobicContact CD2-CE2 4.23Å; L21-Y130 WeakPolarHBondContact CD2-OH 3.22Å; L87-Y130 HydrophobicContact CD1-CE2 4.03Å; L87-Y130 HydrophobicContact CD2-CD2 4.24Å; L87-Y130 HydrophobicContact CD2-CE2 3.33Å; L87-Y130 HydrophobicContact CG-CE2 4.29Å; C126-Y130 PolarHBondContact O-N 3.17Å; Y130-N132 VanDerWaalsContact C-N 3.25Å; Y130-N132 PolarHBondContact O-N 2.79Å; Y130-N132 PolarHBondContact O-ND2 3.23Å; Y130-P135 HydrophobicContact CD1-CG 3.94Å; Y130-P135 HydrophobicContact CD2-CB 3.67Å; Y130-P135 HydrophobicContact CD2-CG 3.26Å; Y130-P135 HydrophobicContact CE1-CG 4.39Å; Y130-P135 HydrophobicContact CE2-CB 3.69Å; Y130-P135 HydrophobicContact CE2-CG 3.71Å; Y130-P135 HydrophobicContact CG-CB 4.24Å; Y130-P135 HydrophobicContact CG-CG 3.34Å
131G96.5Very high96.8Very high68 Ų6837.1 Ų37.170%0.70120%0.196SC*.SBendtrans76.45.7-177.400000114.8I127I127-G131 WeakPolarHBondContact O-CA 3.47Å; I127-G131 PolarHBondContact O-N 3.17Å
132N97.7Very high97.2Very high47 Ų4737 Ų3725%0.25120%0.195SC..SBendtrans-158.3170.918073.579.5000111.8E18 Y130 N134 P135E18-N132 PolarHBondContact OE2-ND2 3.47Å; Y130-N132 VanDerWaalsContact C-N 3.25Å; Y130-N132 PolarHBondContact O-N 2.79Å; Y130-N132 PolarHBondContact O-ND2 3.23Å; N132-N134 WeakPolarHBondContact OD1-CB 3.37Å; N132-N134 PolarHBondContact OD1-N 3.4Å; N132-N134 PolarHBondContact OD1-ND2 3.27Å; N132-P135 WeakPolarHBondContact OD1-CD 3.49Å
133A97.3Very high97.3Very high19 Ų1937 Ų3716%0.15720%0.196CC..SBendtrans-92-2.1-175.400000115.1Y123 I127 P135 W136 H137Y123-A133 HydrophobicContact CE2-CB 4Å; I127-A133 HydrophobicContact CD1-CB 4.39Å; I127-A133 HydrophobicContact CG1-CB 4.27Å; A133-P135 VanDerWaalsContact C-CD 3.5Å; A133-W136 WeakPolarHBondContact O-CB 3.49Å; A133-W136 PolarHBondContact O-N 2.81Å; A133-H137 PolarHBondContact O-CD2 3.14Å; A133-H137 PolarHBondContact O-N 3.48Å; A133-H137 VanDerWaalsContact O-N 3.1Å
134N98.5Very high97.3Very high69 Ų6934.6 Ų34.637%0.36919%0.187SC..Hα-helixtrans-57-44.1-179.3-61.9-26.3000113.5E18 N132 W136 H137 Y138E18-N134 WeakPolarHBondContact OE1-CB 3.33Å; E18-N134 PolarHBondContact OE1-ND2 3.07Å; N132-N134 WeakPolarHBondContact OD1-CB 3.37Å; N132-N134 PolarHBondContact OD1-N 3.4Å; N132-N134 PolarHBondContact OD1-ND2 3.27Å; N134-W136 VanDerWaalsContact C-N 3.3Å; N134-W136 PolarHBondContact O-N 3.43Å; N134-H137 WeakPolarHBondContact O-CB 3.38Å; N134-H137 PolarHBondContact O-N 2.93Å; N134-H137 VanDerWaalsContact O-N 3.11Å; N134-Y138 HydrophobicContact CB-CE1 4.44Å; N134-Y138 HydrophobicContact CB-CE2 3.85Å; N134-Y138 VanDerWaalsContact O-CD2 3.27Å; N134-Y138 WeakPolarHBondContact O-CD2 3.45Å; N134-Y138 PolarHBondContact O-N 3.44Å
135P98.5Very high97.5Very high0 Ų032.1 Ų32.10%017%0.173CC..Hα-helixtrans-53.5-46.1175.6-26.434.1000112.7E18 L21 C126 Y130 N132 A133 H137 Y138 C139E18-P135 HydrophobicContact CG-CG 4.36Å; L21-P135 HydrophobicContact CD2-CB 3.73Å; C126-P135 HydrophobicContact CB-CB 4.34Å; Y130-P135 HydrophobicContact CD1-CG 3.94Å; Y130-P135 HydrophobicContact CD2-CB 3.67Å; Y130-P135 HydrophobicContact CD2-CG 3.26Å; Y130-P135 HydrophobicContact CE1-CG 4.39Å; Y130-P135 HydrophobicContact CE2-CB 3.69Å; Y130-P135 HydrophobicContact CE2-CG 3.71Å; Y130-P135 HydrophobicContact CG-CB 4.24Å; Y130-P135 HydrophobicContact CG-CG 3.34Å; N132-P135 WeakPolarHBondContact OD1-CD 3.49Å; A133-P135 VanDerWaalsContact C-CD 3.5Å; P135-H137 PolarHBondContact O-N 3.24Å; P135-Y138 PolarHBondContact O-N 3.03Å; P135-C139 PolarHBondContact O-N 3.11Å; P135-C139 PolarHBondContact O-SG 3.49Å
136W98.5Very high97.7Very high10 Ų1032.1 Ų32.14%0.03817%0.174CC..Hα-helixtrans-62.4-42.3177.5175.581000111.7R114 T117 Q118 F122 Y123 C126 A133 N134 Y138 C139 C140R114-W136 HydrophobicContact CB-CH2 3.93Å; R114-W136 HydrophobicContact CB-CZ2 3.79Å; R114-W136 HydrophobicContact CG-CH2 3.83Å; R114-W136 HydrophobicContact CG-CZ2 3.84Å; T117-W136 PolarHBondContact OG1-NE1 3.03Å; Q118-W136 HydrophobicContact CG-CH2 4.21Å; Q118-W136 HydrophobicContact CG-CZ2 3.83Å; F122-W136 AromaticContact CD1-CD1 3.79Å; F122-W136 AromaticContact CE1-CD1 3.99Å; Y123-W136 HydrophobicContact CD2-CB 4.4Å; Y123-W136 AromaticContact CD2-CD2 3.49Å; Y123-W136 HydrophobicContact CD2-CD2 3.49Å; Y123-W136 VanDerWaalsContact CD2-CD2 3.49Å; Y123-W136 AromaticContact CD2-CE2 3.7Å; Y123-W136 AromaticContact CD2-CE3 3.69Å; Y123-W136 HydrophobicContact CD2-CE3 3.69Å; Y123-W136 AromaticContact CD2-CG 3.8Å; Y123-W136 HydrophobicContact CD2-CG 3.8Å; Y123-W136 HydrophobicContact CD2-CH2 4.28Å; Y123-W136 HydrophobicContact CD2-CZ2 4.11Å; Y123-W136 HydrophobicContact CD2-CZ3 4.08Å; Y123-W136 HydrophobicContact CE2-CD2 4.07Å; Y123-W136 AromaticContact CE2-CE3 3.78Å; Y123-W136 HydrophobicContact CE2-CE3 3.78Å; Y123-W136 HydrophobicContact CE2-CZ3 4.01Å; C126-W136 HydrophobicContact CB-CB 3.84Å; A133-W136 WeakPolarHBondContact O-CB 3.49Å; A133-W136 PolarHBondContact O-N 2.81Å; N134-W136 VanDerWaalsContact C-N 3.3Å; N134-W136 PolarHBondContact O-N 3.43Å; W136-Y138 VanDerWaalsContact C-N 3.32Å; W136-Y138 PolarHBondContact O-N 3.3Å; W136-C139 PolarHBondContact O-N 3.26Å; W136-C140 PolarHBondContact O-N 3.42Å; W136-C140 PolarHBondContact O-SG 3.18Å
137H98.4Very high97.7Very high86 Ų8632.1 Ų32.140%0.39817%0.174SC..Hα-helixtrans-62.4-37.6174.6-69.1-55.5000112.9A133 N134 P135 K141A133-H137 PolarHBondContact O-CD2 3.14Å; A133-H137 PolarHBondContact O-N 3.48Å; A133-H137 VanDerWaalsContact O-N 3.1Å; N134-H137 WeakPolarHBondContact O-CB 3.38Å; N134-H137 PolarHBondContact O-N 2.93Å; N134-H137 VanDerWaalsContact O-N 3.11Å; P135-H137 PolarHBondContact O-N 3.24Å; H137-K141 WeakPolarHBondContact O-CG 2.99Å; H137-K141 PolarHBondContact O-N 2.84Å
138Y98.6Very high97.9Very high47 Ų4729.8 Ų29.818%0.18416%0.161CC..Hα-helixtrans-65.3-44.3175.3-55.3-32000111.2E18 R22 N134 P135 W136 K141 V142E18-Y138 HydrophobicContact CG-CE2 4.11Å; R22-Y138 HydrophobicContact CB-CD2 3.84Å; R22-Y138 HydrophobicContact CB-CE2 3.71Å; R22-Y138 HydrophobicContact CB-CG 4.42Å; R22-Y138 HydrophobicContact CG-CD1 4.35Å; R22-Y138 HydrophobicContact CG-CD2 4.2Å; R22-Y138 HydrophobicContact CG-CE1 4.12Å; R22-Y138 HydrophobicContact CG-CE2 3.95Å; R22-Y138 HydrophobicContact CG-CG 4.4Å; N134-Y138 HydrophobicContact CB-CE1 4.44Å; N134-Y138 HydrophobicContact CB-CE2 3.85Å; N134-Y138 VanDerWaalsContact O-CD2 3.27Å; N134-Y138 WeakPolarHBondContact O-CD2 3.45Å; N134-Y138 PolarHBondContact O-N 3.44Å; P135-Y138 PolarHBondContact O-N 3.03Å; W136-Y138 VanDerWaalsContact C-N 3.32Å; W136-Y138 PolarHBondContact O-N 3.3Å; Y138-K141 PolarHBondContact O-N 3.16Å; Y138-V142 PolarHBondContact O-N 2.88Å
139C98.7Very high98.1Very high0 Ų026.6 Ų26.60%014%0.144CC..Hα-helixtrans-63.2-42.7175.5-64.70000112.2L90 F122 P135 W136 K141 V142 F143L90-C139 HydrophobicContact CD2-CB 3.72Å; F122-C139 HydrophobicContact CE1-CB 3.86Å; F122-C139 HydrophobicContact CZ-CB 3.91Å; P135-C139 PolarHBondContact O-N 3.11Å; P135-C139 PolarHBondContact O-SG 3.49Å; W136-C139 PolarHBondContact O-N 3.26Å; C139-K141 VanDerWaalsContact C-N 3.29Å; C139-K141 PolarHBondContact O-N 3.1Å; C139-V142 WeakPolarHBondContact O-CA 3.4Å; C139-V142 WeakPolarHBondContact O-CB 3.46Å; C139-V142 PolarHBondContact O-N 3.18Å; C139-F143 HydrophobicContact CB-CZ 4.26Å; C139-F143 WeakPolarHBondContact O-CD1 3.39Å; C139-F143 WeakPolarHBondContact O-CG 3.25Å; C139-F143 PolarHBondContact O-N 2.82Å
140C98.6Very high98.3Very high1 Ų125.6 Ų25.61%0.00714%0.14CC..Hα-helixtrans-61.9-34.9177.3-68.50000112.9R114 W136 V142 F143 D144R114-C140 HydrophobicContact CG-CB 4.21Å; W136-C140 PolarHBondContact O-N 3.42Å; W136-C140 PolarHBondContact O-SG 3.18Å; C140-V142 VanDerWaalsContact C-N 3.27Å; C140-V142 PolarHBondContact O-N 2.94Å; C140-F143 WeakPolarHBondContact O-CB 3.46Å; C140-F143 PolarHBondContact O-N 2.81Å; C140-D144 VanDerWaalsContact O-CG 3.23Å; C140-D144 PolarHBondContact O-N 2.82Å
141K98.2Very high98.4Very high129 Ų12924.6 Ų24.656%0.56114%0.137SC*.Hα-helixtrans-63.7-33.9172.6-73.1-179.9178.7-172.60112.5H137 Y138 C139H137-K141 WeakPolarHBondContact O-CG 2.99Å; H137-K141 PolarHBondContact O-N 2.84Å; Y138-K141 PolarHBondContact O-N 3.16Å; C139-K141 VanDerWaalsContact C-N 3.29Å; C139-K141 PolarHBondContact O-N 3.1Å
142V98.8Very high98.5Very high0 Ų021.3 Ų21.30%010%0.104CC..Hα-helixtrans-70.5-42.1172.6179.90000110.2C25 V28 L32 L94 Y138 C139 C140 D144 L145 L146C25-V142 HydrophobicContact CB-CG2 3.62Å; V28-V142 HydrophobicContact CG1-CG1 4.3Å; L32-V142 HydrophobicContact CD1-CG1 3.77Å; L94-V142 HydrophobicContact CD1-CG1 4.43Å; L94-V142 HydrophobicContact CD2-CG1 3.72Å; Y138-V142 PolarHBondContact O-N 2.88Å; C139-V142 WeakPolarHBondContact O-CA 3.4Å; C139-V142 WeakPolarHBondContact O-CB 3.46Å; C139-V142 PolarHBondContact O-N 3.18Å; C140-V142 VanDerWaalsContact C-N 3.27Å; C140-V142 PolarHBondContact O-N 2.94Å; V142-D144 VanDerWaalsContact C-N 3.28Å; V142-D144 PolarHBondContact O-N 2.81Å; V142-L145 PolarHBondContact O-N 3.37Å; V142-L146 PolarHBondContact O-N 2.8Å
143F98.7Very high98.4Very high1 Ų120.7 Ų20.70%0.00411%0.108CC..Hα-helixtrans-56-42.3177.9-63.9-15.2000112.7V80 L90 R108 E112 T117 F122 C139 C140 L145 L146V80-F143 HydrophobicContact CG1-CZ 4.09Å; V80-F143 HydrophobicContact CG2-CZ 4.2Å; L90-F143 HydrophobicContact CD1-CE1 3.83Å; L90-F143 HydrophobicContact CD2-CE1 3.46Å; L90-F143 VanDerWaalsContact CD2-CE1 3.46Å; L90-F143 HydrophobicContact CD2-CZ 3.65Å; L90-F143 HydrophobicContact CG-CE1 4.3Å; R108-F143 WeakPolarHBondContact CD-O 3.42Å; R108-F143 VanDerWaalsContact CZ-O 3.24Å; R108-F143 PolarHBondContact NE-O 2.88Å; R108-F143 VanDerWaalsContact NE-O 3.17Å; E112-F143 HydrophobicContact CB-CB 3.95Å; E112-F143 HydrophobicContact CB-CD1 3.83Å; E112-F143 HydrophobicContact CB-CD2 4.04Å; E112-F143 HydrophobicContact CB-CE1 4.28Å; E112-F143 HydrophobicContact CB-CE2 4.48Å; E112-F143 HydrophobicContact CB-CG 3.69Å; E112-F143 HydrophobicContact CG-CD1 3.56Å; E112-F143 HydrophobicContact CG-CD2 4.36Å; E112-F143 HydrophobicContact CG-CE1 3.6Å; E112-F143 HydrophobicContact CG-CE2 4.41Å; E112-F143 HydrophobicContact CG-CG 3.95Å; E112-F143 HydrophobicContact CG-CZ 4.04Å; E112-F143 WeakPolarHBondContact O-CB 3.43Å; T117-F143 HydrophobicContact CG2-CE2 4.14Å; F122-F143 HydrophobicContact CD1-CE2 4.18Å; F122-F143 HydrophobicContact CD1-CZ 4.22Å; F122-F143 AromaticContact CE1-CE2 3.87Å; F122-F143 HydrophobicContact CE1-CE2 3.87Å; F122-F143 AromaticContact CE1-CZ 3.67Å; F122-F143 HydrophobicContact CE1-CZ 3.67Å; F122-F143 HydrophobicContact CZ-CZ 4.47Å; C139-F143 HydrophobicContact CB-CZ 4.26Å; C139-F143 WeakPolarHBondContact O-CD1 3.39Å; C139-F143 WeakPolarHBondContact O-CG 3.25Å; C139-F143 PolarHBondContact O-N 2.82Å; C140-F143 WeakPolarHBondContact O-CB 3.46Å; C140-F143 PolarHBondContact O-N 2.81Å; F143-L145 PolarHBondContact O-N 2.8Å; F143-L145 VanDerWaalsContact O-N 3.11Å; F143-L146 HydrophobicContact CD1-CD1 4Å; F143-L146 PolarHBondContact O-N 3.43Å
144D98.5Very high98.4Very high12 Ų1227.1 Ų27.16%0.06414%0.135CC..THydrogen-bonded Turntrans-61-21.3177.5-59.4-26.9000112.6R108 R114 C140 V142 R178 H179R108-D144 IonicContact CZ-OD1 3.7Å; R108-D144 IonicContact NH1-OD1 3.34Å; R108-D144 IonicContact NH2-OD1 3.34Å; R108-D144 PolarHBondContact NH2-OD1 3.09Å; R114-D144 IonicContact CZ-OD1 3.87Å; R114-D144 IonicContact CZ-OD2 2.71Å; R114-D144 IonicContact NH1-OD1 3.83Å; R114-D144 PolarHBondContact NH1-OD1 2.82Å; R114-D144 IonicContact NH1-OD2 3.4Å; R114-D144 PolarHBondContact NH1-OD2 3.19Å; R114-D144 VanDerWaalsContact NH1-OD2 3.15Å; R114-D144 IonicContact NH2-OD1 2.69Å; R114-D144 IonicContact NH2-OD2 2.86Å; R114-D144 PolarHBondContact NH2-OD2 3.37Å; C140-D144 VanDerWaalsContact O-CG 3.23Å; C140-D144 PolarHBondContact O-N 2.82Å; V142-D144 VanDerWaalsContact C-N 3.28Å; V142-D144 PolarHBondContact O-N 2.81Å; D144-R178 CarbonylContact O-C 3.34Å; D144-H179 VanDerWaalsContact O-CA 3.26Å; D144-H179 WeakPolarHBondContact O-CA 3.47Å
145L98.4Very high98.4Very high12 Ų1228.1 Ų28.16%0.06314%0.136CC..THydrogen-bonded Turntrans-103.2-7.3-177.4-64.3168.8000113.8S29 L32 I33 V142 F143 R178 H179S29-L145 VanDerWaalsContact CB-CD1 3.45Å; L32-L145 HydrophobicContact CB-CB 3.82Å; L32-L145 HydrophobicContact CD1-CB 4.1Å; I33-L145 HydrophobicContact CD1-CD1 4.22Å; I33-L145 HydrophobicContact CG1-CD1 3.97Å; I33-L145 HydrophobicContact CG1-CD2 3.75Å; I33-L145 HydrophobicContact CG1-CG 4.47Å; V142-L145 PolarHBondContact O-N 3.37Å; F143-L145 PolarHBondContact O-N 2.8Å; F143-L145 VanDerWaalsContact O-N 3.11Å; L145-R178 PolarHBondContact O-NE 3.13Å; L145-R178 PolarHBondContact O-NH2 2.68Å; L145-H179 HydrophobicContact CD2-CB 4.24Å
146L98.7Very high98.4Very high1 Ų128.1 Ų28.11%0.00514%0.136CC..SBendtrans-59.3137.7179.2-73175.2000111.7L32 F79 L106 R108 E112 V142 F143 R178L32-L146 HydrophobicContact CD1-CD2 4.06Å; F79-L146 HydrophobicContact CE2-CD1 4.05Å; F79-L146 HydrophobicContact CE2-CD2 4.49Å; L106-L146 HydrophobicContact CB-CD2 3.64Å; L106-L146 HydrophobicContact CD1-CD2 4.38Å; R108-L146 HydrophobicContact CB-CB 3.7Å; R108-L146 HydrophobicContact CB-CD1 4.38Å; R108-L146 HydrophobicContact CG-CB 4.09Å; R108-L146 HydrophobicContact CG-CD1 4.27Å; E112-L146 HydrophobicContact CB-CD1 3.91Å; E112-L146 HydrophobicContact CG-CD1 3.64Å; V142-L146 PolarHBondContact O-N 2.8Å; F143-L146 HydrophobicContact CD1-CD1 4Å; F143-L146 PolarHBondContact O-N 3.43Å; L146-R178 WeakPolarHBondContact O-CD 3.43Å
147T98.1Very high98.4Very high0 Ų027.6 Ų27.60%013%0.134CC..BIsolated β-bridgetrans-61.9150.6-179.460.30000111.8E35 C36 Q39 L106 L107 R108E35-T147 HydrophobicContact CB-CG2 3.72Å; E35-T147 WeakPolarHBondContact OE2-CG2 3.43Å; C36-T147 WeakPolarHBondContact O-CG2 3.07Å; Q39-T147 HydrophobicContact CB-CG2 4.39Å; L106-T147 PolarHBondContact O-N 2.63Å; L106-T147 PolarHBondContact O-OG1 3.16Å; L107-T147 CarbonylContact C-O 3.49Å; L107-T147 VanDerWaalsContact CA-O 3.22Å; L107-T147 WeakPolarHBondContact CA-O 3.32Å; L107-T147 VanDerWaalsContact CD2-OG1 3.22Å; L107-T147 WeakPolarHBondContact CD2-OG1 3.42Å; R108-T147 PolarHBondContact N-O 3.36Å
148I98.6Very high98.4Very high0 Ų023.5 Ų23.50%012%0.115CC..SBendtrans-83.8-41.8-176.2-61.4-178.8000110.9N37 I173 I176 R178 F188 I191N37-I148 HydrophobicContact CB-CB 4.41Å; N37-I148 HydrophobicContact CB-CD1 4.23Å; N37-I148 HydrophobicContact CB-CG1 4.36Å; N37-I148 PolarHBondContact O-N 3.46Å; I148-I173 HydrophobicContact CB-CG2 4.24Å; I148-I173 HydrophobicContact CG2-CG2 3.79Å; I148-I176 HydrophobicContact CD1-CB 3.62Å; I148-I176 HydrophobicContact CD1-CD1 3.98Å; I148-I176 HydrophobicContact CD1-CG1 4.38Å; I148-I176 HydrophobicContact CD1-CG2 3.49Å; I148-I176 VanDerWaalsContact CD1-CG2 3.49Å; I148-R178 HydrophobicContact CD1-CB 3.99Å; I148-R178 HydrophobicContact CG1-CB 4.07Å; I148-F188 HydrophobicContact CD1-CD2 3.96Å; I148-F188 HydrophobicContact CD1-CE2 3.96Å; I148-F188 HydrophobicContact CG1-CD2 4.35Å; I148-F188 HydrophobicContact CG1-CE2 3.93Å; I148-I191 HydrophobicContact CG2-CB 4.48Å; I148-I191 HydrophobicContact CG2-CD1 3.9Å; I148-I191 HydrophobicContact CG2-CG2 3.85Å
149A98.8Very high98.4Very high0 Ų021.3 Ų21.30%011%0.106CC..EExtended strand (participates in β ladder)trans-144.7162.7-174.700000111N37 V38 Q39 L107 L157 C158 V159 I173N37-A149 PolarHBondContact O-N 2.67Å; N37-A149 VanDerWaalsContact O-O 3.07Å; V38-A149 CarbonylContact C-O 3.55Å; V38-A149 WeakPolarHBondContact CA-O 3.33Å; V38-A149 HydrophobicContact CG1-CB 4.48Å; V38-A149 HydrophobicContact CG2-CB 4.32Å; Q39-A149 PolarHBondContact N-O 3.06Å; L107-A149 VanDerWaalsContact CD2-C 3.44Å; A149-L157 HydrophobicContact CB-CD1 3.99Å; A149-C158 CarbonylContact C-O 3.49Å; A149-C158 WeakPolarHBondContact CA-O 3.49Å; A149-C158 WeakPolarHBondContact CB-O 3.45Å; A149-V159 HydrophobicContact CB-CG1 3.84Å; A149-I173 HydrophobicContact CB-CG2 4.32Å
150A98.7Very high98.5Very high0 Ų021.3 Ų21.30%011%0.106CC..EExtended strand (participates in β ladder)trans-124.9148.4166.800000110.5Q39 V41 I74 T105 L107 L157 C158Q39-A150 CarbonylContact O-C 3.53Å; Q39-A150 VanDerWaalsContact O-CA 3.22Å; Q39-A150 WeakPolarHBondContact O-CA 3.29Å; V41-A150 HydrophobicContact CG2-CB 4.12Å; I74-A150 HydrophobicContact CD1-CB 3.71Å; I74-A150 HydrophobicContact CG1-CB 4.17Å; I74-A150 HydrophobicContact CG2-CB 4.28Å; T105-A150 HydrophobicContact CG2-CB 4.06Å; L107-A150 HydrophobicContact CD2-CB 4.03Å; A150-L157 CarbonylContact O-C 3.56Å; A150-C158 HydrophobicContact CB-CB 4.17Å; A150-C158 PolarHBondContact N-O 3.02Å; A150-C158 PolarHBondContact O-N 2.91Å
151L98.7Very high98.4Very high14 Ų1421.3 Ų21.37%0.07311%0.106CC..EExtended strand (participates in β ladder)trans-121.4105.4177.4-176.765.7000109.4V38 Q39 P40 V41 E154 L170 L227V38-L151 HydrophobicContact CG1-CB 3.82Å; Q39-L151 PolarHBondContact O-N 2.81Å; P40-L151 WeakPolarHBondContact CA-O 3.49Å; V41-L151 PolarHBondContact N-O 3.28Å; L151-E154 HydrophobicContact CD2-CB 4.5Å; L151-L170 HydrophobicContact CD1-CD1 4Å; L151-L170 HydrophobicContact CD2-CD1 3.93Å; L151-L227 HydrophobicContact CD1-CD2 3.6Å
152V98.6Very high98.4Very high0 Ų015.2 Ų15.20%08%0.08CC..EExtended strand (participates in β ladder)trans-85.1118.4-178-168.40000109.9V41 F43 V45 I47 I74 E154 K155 V156V41-V152 HydrophobicContact CB-CG2 4.45Å; V41-V152 CarbonylContact O-C 3.46Å; V41-V152 VanDerWaalsContact O-CA 3.26Å; V41-V152 WeakPolarHBondContact O-CA 3.49Å; F43-V152 HydrophobicContact CD1-CG1 3.69Å; F43-V152 HydrophobicContact CE1-CB 4.36Å; F43-V152 HydrophobicContact CE1-CG1 3.32Å; F43-V152 HydrophobicContact CE2-CG1 4.29Å; F43-V152 HydrophobicContact CG-CG1 4.31Å; F43-V152 HydrophobicContact CZ-CB 4.43Å; F43-V152 HydrophobicContact CZ-CG1 3.65Å; V45-V152 HydrophobicContact CB-CG1 4.35Å; V45-V152 HydrophobicContact CG1-CB 4.39Å; V45-V152 HydrophobicContact CG1-CG1 3.46Å; V45-V152 VanDerWaalsContact CG1-CG1 3.46Å; V45-V152 HydrophobicContact CG1-CG2 4.06Å; I47-V152 HydrophobicContact CD1-CG2 4.48Å; I74-V152 HydrophobicContact CD1-CG2 3.47Å; I74-V152 VanDerWaalsContact CD1-CG2 3.47Å; V152-E154 PolarHBondContact O-N 3.07Å; V152-K155 PolarHBondContact O-N 2.73Å; V152-V156 HydrophobicContact CB-CB 4.11Å; V152-V156 HydrophobicContact CG2-CB 4.5Å; V152-V156 PolarHBondContact N-O 2.63Å; V152-V156 PolarHBondContact O-N 3.21Å
153G97Very high98.4Very high33 Ų3315.6 Ų15.634%0.348%0.082SC..THydrogen-bonded Turntrans50.233.817700000113.9V41 K155V41-G153 PolarHBondContact O-N 3.27Å; G153-K155 WeakPolarHBondContact O-CG 3.18Å; G153-K155 PolarHBondContact O-N 2.81Å; G153-K155 VanDerWaalsContact O-N 3.08Å
154E97.1Very high98.4Very high155 Ų15515.6 Ų15.672%0.7248%0.082SC*.THydrogen-bonded Turntrans59.514.8-177.6-57.6-177.3177.100115.3L151 V152L151-E154 HydrophobicContact CD2-CB 4.5Å; V152-E154 PolarHBondContact O-N 3.07Å
155K98.2Very high98.3Very high89 Ų8917.1 Ų17.139%0.3879%0.093SC..THydrogen-bonded Turntrans-132.5-27.2-171.4-66.3-68.3172.1-1720115.3V152 G153 G226 L227 E228 P274V152-K155 PolarHBondContact O-N 2.73Å; G153-K155 WeakPolarHBondContact O-CG 3.18Å; G153-K155 PolarHBondContact O-N 2.81Å; G153-K155 VanDerWaalsContact O-N 3.08Å; K155-G226 WeakPolarHBondContact CD-O 3.06Å; K155-G226 PolarHBondContact NZ-O 3.26Å; K155-L227 CarbonylContact O-C 3.4Å; K155-L227 WeakPolarHBondContact O-CA 3.42Å; K155-E228 HydrophobicContact CB-CB 4.42Å; K155-E228 PolarHBondContact O-N 3.05Å; K155-P274 HydrophobicContact CB-CB 3.58Å; K155-P274 HydrophobicContact CB-CG 3.79Å; K155-P274 HydrophobicContact CG-CB 3.96Å; K155-P274 HydrophobicContact CG-CG 3.79Å
156V98.6Very high98.3Very high0 Ų021.5 Ų21.50%011%0.113CC..EExtended strand (participates in β ladder)trans-116.2114.1179.1-174.30000109.2V152 S229 C231 F271V152-V156 HydrophobicContact CB-CB 4.11Å; V152-V156 HydrophobicContact CG2-CB 4.5Å; V152-V156 PolarHBondContact N-O 2.63Å; V152-V156 PolarHBondContact O-N 3.21Å; V156-S229 WeakPolarHBondContact CA-O 3.49Å; V156-C231 HydrophobicContact CG1-CB 4.44Å; V156-F271 HydrophobicContact CG1-CE1 4.3Å; V156-F271 HydrophobicContact CG1-CZ 4.42Å; V156-F271 HydrophobicContact CG2-CD1 4.19Å; V156-F271 HydrophobicContact CG2-CE1 4.05Å
157L98.8Very high98.2Very high0 Ų021.9 Ų21.90%012%0.115CC..EExtended strand (participates in β ladder)trans-83.9130.9175.3177.365.7000109.4A149 A150 V159 L170 F221 L227 S229 I230 C231A149-L157 HydrophobicContact CB-CD1 3.99Å; A150-L157 CarbonylContact O-C 3.56Å; L157-V159 HydrophobicContact CD1-CG1 4.32Å; L157-V159 HydrophobicContact CD2-CG1 4.26Å; L157-V159 HydrophobicContact CG-CG1 4.13Å; L157-L170 HydrophobicContact CD1-CD2 3.66Å; L157-L170 HydrophobicContact CD2-CD2 3.88Å; L157-L170 HydrophobicContact CG-CD2 4.28Å; L157-F221 HydrophobicContact CD2-CE1 3.7Å; L157-F221 HydrophobicContact CD2-CZ 4.18Å; L157-L227 HydrophobicContact CB-CD1 3.8Å; L157-L227 HydrophobicContact CB-CD2 4.43Å; L157-L227 HydrophobicContact CD2-CD1 4.31Å; L157-S229 PolarHBondContact N-O 3.2Å; L157-S229 VanDerWaalsContact N-O 3.12Å; L157-I230 HydrophobicContact CB-CG1 4.22Å; L157-I230 HydrophobicContact CD2-CG1 4.23Å; L157-I230 HydrophobicContact CD2-CG2 4.48Å; L157-I230 CarbonylContact O-C 3.57Å; L157-I230 WeakPolarHBondContact O-CA 3.48Å; L157-C231 PolarHBondContact O-N 3.15Å
158C98.9Very high98.2Very high0 Ų028.7 Ų28.70%014%0.144CC..EExtended strand (participates in β ladder)trans-112.5126.6171.6-53.40000109.2I74 M76 L107 A149 A150 C231I74-C158 HydrophobicContact CG2-CB 4.12Å; M76-C158 HydrophobicContact CG-CB 4.43Å; M76-C158 HydrophobicContact SD-CB 4.11Å; L107-C158 HydrophobicContact CD1-CB 4.02Å; L107-C158 WeakPolarHBondContact CD1-O 3.26Å; A149-C158 CarbonylContact C-O 3.49Å; A149-C158 WeakPolarHBondContact CA-O 3.49Å; A149-C158 WeakPolarHBondContact CB-O 3.45Å; A150-C158 HydrophobicContact CB-CB 4.17Å; A150-C158 PolarHBondContact N-O 3.02Å; A150-C158 PolarHBondContact O-N 2.91Å; C158-C231 WeakPolarHBondContact CA-O 3.47Å
159V98.8Very high98.2Very high1 Ų130.7 Ų30.71%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-136.2160.7173.9-70.10000109A149 L157 I191 I230 C231 R232A149-V159 HydrophobicContact CB-CG1 3.84Å; L157-V159 HydrophobicContact CD1-CG1 4.32Å; L157-V159 HydrophobicContact CD2-CG1 4.26Å; L157-V159 HydrophobicContact CG-CG1 4.13Å; V159-I191 HydrophobicContact CB-CG2 4.02Å; V159-I191 HydrophobicContact CG1-CG2 3.95Å; V159-I230 HydrophobicContact CG2-CG2 4.14Å; V159-C231 PolarHBondContact N-O 2.71Å; V159-R232 HydrophobicContact CG2-CB 4.29Å; V159-R232 VanDerWaalsContact O-CA 3.27Å; V159-R232 WeakPolarHBondContact O-CA 3.34Å
160H98.8Very high98.1Very high0 Ų031.4 Ų31.40%016%0.161CC..SBendtrans-72.2-63.5176.1173.665.8000111.9D50 M76 D78 R108 G109 N110 L192 A233 H234D50-H160 IonicContact OD1-CE1 2.74Å; D50-H160 IonicContact OD1-ND1 3.44Å; M76-H160 VanDerWaalsContact O-CB 3.32Å; M76-H160 WeakPolarHBondContact O-CB 3.02Å; M76-H160 VanDerWaalsContact O-CG 3.31Å; M76-H160 PolarHBondContact O-ND1 2.83Å; D78-H160 IonicContact OD1-CE1 3.35Å; D78-H160 PolarHBondContact OD1-CE1 3.12Å; D78-H160 IonicContact OD1-NE2 2.67Å; D78-H160 PolarHBondContact OD1-NE2 2.9Å; D78-H160 IonicContact OD2-CE1 2.67Å; D78-H160 PolarHBondContact OD2-CE1 3.06Å; D78-H160 VanDerWaalsContact OD2-CE1 3.29Å; D78-H160 IonicContact OD2-NE2 4Å; D78-H160 PolarHBondContact OD2-NE2 2.78Å; R108-H160 WeakPolarHBondContact O-CB 3.32Å; G109-H160 VanDerWaalsContact CA-CD2 3.42Å; G109-H160 WeakPolarHBondContact CA-CD2 3.46Å; G109-H160 VanDerWaalsContact CA-CG 3.44Å; N110-H160 PolarHBondContact N-CD2 3.31Å; N110-H160 PolarHBondContact N-NE2 3.13Å; N110-H160 PolarHBondContact OD1-NE2 3.15Å; H160-L192 HydrophobicContact CB-CD2 4.07Å; H160-L192 PolarHBondContact CD2-O 2.67Å; H160-L192 VanDerWaalsContact CD2-O 3.27Å; H160-A233 CarbonylContact O-C 3.19Å; H160-A233 WeakPolarHBondContact O-CA 3.23Å; H160-A233 PolarHBondContact O-N 3.49Å; H160-H234 AromaticContact CD2-ND1 3.83Å; H160-H234 AromaticContact CE1-ND1 3.8Å; H160-H234 WeakPolarHBondContact NE2-CB 3.13Å; H160-H234 AromaticContact NE2-CG 3.54Å; H160-H234 AromaticContact NE2-ND1 3.01Å; H160-H234 PolarHBondContact NE2-ND1 2.87Å
161G98.5Very high98.1Very high0 Ų036.5 Ų36.50%019%0.188CC..SBendtrans-84.5-89.118000000111.3I191 S194 R232G161-I191 CarbonylContact C-O 3.55Å; G161-I191 WeakPolarHBondContact CA-O 3.46Å; G161-I191 PolarHBondContact N-O 3.07Å; G161-S194 CarbonylContact C-O 3.57Å; G161-S194 VanDerWaalsContact C-O 3.27Å; G161-R232 VanDerWaalsContact O-CB 3.25Å; G161-R232 WeakPolarHBondContact O-CB 3.47Å; G161-R232 WeakPolarHBondContact O-CD 3.32Å; G161-R232 PolarHBondContact O-NE 2.86Å; G161-R232 PolarHBondContact O-NH1 3.25Å
162G97.5Very high98Very high1 Ų139.2 Ų39.21%0.0120%0.2CC..  trans-170.5-138.9-173.600000114.3I191 S194G162-I191 PolarHBondContact N-O 3.12Å; G162-S194 PolarHBondContact N-O 2.64Å
163L98.3Very high98Very high8 Ų839.4 Ų39.44%0.04220%0.201CC..  trans-96.1161.2-176.1-59.8179.7000111.5S194 W202 F213 F221 I230L163-S194 WeakPolarHBondContact O-CB 3.23Å; L163-S194 PolarHBondContact O-OG 3.19Å; L163-S194 VanDerWaalsContact O-OG 3.09Å; L163-W202 HydrophobicContact CB-CH2 3.67Å; L163-W202 HydrophobicContact CB-CZ3 4.31Å; L163-F213 HydrophobicContact CB-CD1 4.46Å; L163-F213 HydrophobicContact CB-CG 4.43Å; L163-F213 HydrophobicContact CD1-CD2 4.17Å; L163-F213 HydrophobicContact CD1-CE2 4.21Å; L163-F213 HydrophobicContact CG-CD2 4.45Å; L163-F213 HydrophobicContact CG-CE2 4.24Å; L163-F213 HydrophobicContact CG-CZ 4.44Å; L163-F221 HydrophobicContact CD1-CB 3.99Å; L163-F221 HydrophobicContact CD1-CG 4.19Å; L163-F221 HydrophobicContact CD2-CD1 3.91Å; L163-F221 HydrophobicContact CD2-CD2 4.03Å; L163-F221 HydrophobicContact CD2-CE1 4.07Å; L163-F221 HydrophobicContact CD2-CE2 4.15Å; L163-F221 HydrophobicContact CD2-CG 3.91Å; L163-F221 HydrophobicContact CD2-CZ 4.18Å; L163-I230 HydrophobicContact CD1-CD1 4.19Å; L163-I230 HydrophobicContact CD2-CD1 3.97Å; L163-I230 HydrophobicContact CG-CD1 4.41Å
164S98.3Very high98.1Very high2 Ų242.8 Ų42.81%0.01420%0.203CC..  trans-120140.2173.9172.10000110.2Q166 I167 D190S164-Q166 PolarHBondContact O-N 2.92Å; S164-Q166 VanDerWaalsContact O-N 3.11Å; S164-Q166 PolarHBondContact OG-N 3.23Å; S164-Q166 VanDerWaalsContact OG-N 3.12Å; S164-I167 PolarHBondContact O-N 3.43Å; S164-I167 VanDerWaalsContact O-N 3.09Å; S164-D190 VanDerWaalsContact CB-CB 3.41Å; S164-D190 WeakPolarHBondContact CB-OD2 3.48Å; S164-D190 PolarHBondContact OG-OD2 3.22Å
165P97.7Very high98.1Very high44 Ų4441 Ų4129%0.28620%0.203SC..THydrogen-bonded Turntrans-62.3-17.1172.325.6-33.6000113.2W202 Y211P165-W202 HydrophobicContact CB-CD2 3.93Å; P165-W202 HydrophobicContact CB-CE3 4.3Å; P165-W202 HydrophobicContact CB-CG 4.33Å; P165-W202 HydrophobicContact CB-CH2 4.48Å; P165-W202 HydrophobicContact CB-CZ2 4.13Å; P165-W202 HydrophobicContact CG-CE3 4.44Å; P165-W202 VanDerWaalsContact N-CH2 3.33Å; P165-Y211 HydrophobicContact CG-CD1 4.35Å; P165-Y211 HydrophobicContact CG-CD2 3.71Å; P165-Y211 HydrophobicContact CG-CE1 4.25Å; P165-Y211 HydrophobicContact CG-CE2 3.62Å; P165-Y211 HydrophobicContact CG-CG 4.1Å
166Q97.4Very high98.1Very high104 Ų10437.8 Ų37.849%0.48619%0.19SC..THydrogen-bonded Turntrans-91.4-9.6179.2-57.3-175.348.200113S164 Q172 P187S164-Q166 PolarHBondContact O-N 2.92Å; S164-Q166 VanDerWaalsContact O-N 3.11Å; S164-Q166 PolarHBondContact OG-N 3.23Å; S164-Q166 VanDerWaalsContact OG-N 3.12Å; Q166-Q172 PolarHBondContact O-NE2 2.81Å; Q166-P187 HydrophobicContact CB-CB 4.47Å
167I97.9Very high98Very high8 Ų843.2 Ų43.24%0.04122%0.219CC..  trans-117.3111.1-176.2-56178.3000109.1S164 T169 Q172 I173 I176 P187 I191 F221S164-I167 PolarHBondContact O-N 3.43Å; S164-I167 VanDerWaalsContact O-N 3.09Å; I167-T169 WeakPolarHBondContact CG2-O 3.38Å; I167-Q172 HydrophobicContact CG2-CB 4.07Å; I167-I173 HydrophobicContact CD1-CG1 4.19Å; I167-I173 HydrophobicContact CG2-CD1 4.2Å; I167-I173 HydrophobicContact CG2-CG1 3.58Å; I167-I176 HydrophobicContact CD1-CD1 4.13Å; I167-P187 HydrophobicContact CD1-CB 3.57Å; I167-P187 HydrophobicContact CG1-CB 3.67Å; I167-I191 HydrophobicContact CD1-CD1 3.28Å; I167-I191 HydrophobicContact CD1-CG1 3.74Å; I167-F221 HydrophobicContact CG2-CE2 4.12Å
168K97.1Very high97.9Very high143 Ų14344 Ų4462%0.62222%0.222SC*.  trans-101.7-31174.7-59.5-176.9-179.1-178.40111.7F221 L224 N225K168-F221 WeakPolarHBondContact O-CD2 3.49Å; K168-F221 WeakPolarHBondContact O-CE2 3.38Å; K168-L224 HydrophobicContact CB-CD2 4.01Å; K168-L224 WeakPolarHBondContact O-CD2 3.32Å; K168-N225 PolarHBondContact O-ND2 3.47Å
169T97.8Very high97.8Very high42 Ų4249.5 Ų49.526%0.25825%0.248SC..SBendtrans-122.9154.6-177.970.70000113.2I167 D171 Q172 L224 N225I167-T169 WeakPolarHBondContact CG2-O 3.38Å; T169-D171 PolarHBondContact O-N 2.89Å; T169-Q172 WeakPolarHBondContact O-CB 3.3Å; T169-Q172 PolarHBondContact O-N 3.49Å; T169-Q172 VanDerWaalsContact O-N 3.14Å; T169-L224 HydrophobicContact CG2-CD2 4.15Å; T169-L224 HydrophobicContact CG2-CG 4.47Å; T169-N225 WeakPolarHBondContact CA-OD1 3.29Å
170L98Very high97.7Very high16 Ų1653.1 Ų53.18%0.08427%0.266CS..Hα-helixtrans-58.3-32.1173.3-64179.6000112.3L151 L157 Q172 I173 R174 F221 N225 L227L151-L170 HydrophobicContact CD1-CD1 4Å; L151-L170 HydrophobicContact CD2-CD1 3.93Å; L157-L170 HydrophobicContact CD1-CD2 3.66Å; L157-L170 HydrophobicContact CD2-CD2 3.88Å; L157-L170 HydrophobicContact CG-CD2 4.28Å; L170-Q172 VanDerWaalsContact C-N 3.25Å; L170-Q172 PolarHBondContact O-N 3.18Å; L170-I173 HydrophobicContact CD2-CD1 4.18Å; L170-I173 WeakPolarHBondContact O-CB 3.22Å; L170-I173 PolarHBondContact O-N 3.29Å; L170-R174 PolarHBondContact O-N 3.41Å; L170-R174 VanDerWaalsContact O-N 3.14Å; L170-F221 HydrophobicContact CD2-CE1 4.24Å; L170-F221 HydrophobicContact CD2-CZ 4.15Å; L170-N225 HydrophobicContact CD1-CB 4.37Å; L170-N225 HydrophobicContact CG-CB 4.12Å; L170-N225 PolarHBondContact N-OD1 2.92Å; L170-L227 HydrophobicContact CD1-CD2 4.27Å
171D97.5Very high97.7Very high107 Ų10755.3 Ų55.357%0.57228%0.276SS*.Hα-helixtrans-63.9-31.6178.7-66.7-29000112.4T169 I173 R174 T175T169-D171 PolarHBondContact O-N 2.89Å; D171-I173 VanDerWaalsContact C-N 3.28Å; D171-I173 PolarHBondContact O-N 3.3Å; D171-R174 WeakPolarHBondContact O-CB 3.22Å; D171-R174 PolarHBondContact O-N 3.41Å; D171-R174 VanDerWaalsContact O-N 3.16Å; D171-R174 IonicContact OD1-NE 2.87Å; D171-T175 PolarHBondContact O-N 2.83Å
172Q98.3Very high97.6Very high70 Ų7055.8 Ų55.833%0.32728%0.278SS..Hα-helixtrans-66.8-31.4174-65.9177.8-84.600112Q166 I167 T169 L170 T175Q166-Q172 PolarHBondContact O-NE2 2.81Å; I167-Q172 HydrophobicContact CG2-CB 4.07Å; T169-Q172 WeakPolarHBondContact O-CB 3.3Å; T169-Q172 PolarHBondContact O-N 3.49Å; T169-Q172 VanDerWaalsContact O-N 3.14Å; L170-Q172 VanDerWaalsContact C-N 3.25Å; L170-Q172 PolarHBondContact O-N 3.18Å; Q172-T175 PolarHBondContact O-N 2.97Å; Q172-T175 PolarHBondContact O-OG1 2.75Å
173I98.4Very high97.6Very high4 Ų457.6 Ų57.62%0.02129%0.29CS..Hα-helixtrans-68.1-39.2172.8-49.3-177.5000110N37 V38 I148 A149 I167 L170 D171 T175 I176 I191N37-I173 WeakPolarHBondContact CB-O 3.23Å; N37-I173 PolarHBondContact ND2-O 3.46Å; N37-I173 VanDerWaalsContact ND2-O 3.1Å; V38-I173 HydrophobicContact CG2-CB 3.68Å; V38-I173 HydrophobicContact CG2-CG2 3.63Å; I148-I173 HydrophobicContact CB-CG2 4.24Å; I148-I173 HydrophobicContact CG2-CG2 3.79Å; A149-I173 HydrophobicContact CB-CG2 4.32Å; I167-I173 HydrophobicContact CD1-CG1 4.19Å; I167-I173 HydrophobicContact CG2-CD1 4.2Å; I167-I173 HydrophobicContact CG2-CG1 3.58Å; L170-I173 HydrophobicContact CD2-CD1 4.18Å; L170-I173 WeakPolarHBondContact O-CB 3.22Å; L170-I173 PolarHBondContact O-N 3.29Å; D171-I173 VanDerWaalsContact C-N 3.28Å; D171-I173 PolarHBondContact O-N 3.3Å; I173-T175 PolarHBondContact O-N 3.11Å; I173-I176 HydrophobicContact CG2-CD1 4.36Å; I173-I176 PolarHBondContact O-N 3.08Å; I173-I191 HydrophobicContact CB-CD1 4.47Å; I173-I191 HydrophobicContact CD1-CD1 4.13Å; I173-I191 HydrophobicContact CG1-CD1 3.99Å; I173-I191 HydrophobicContact CG2-CD1 3.9Å
174R97.9Very high97.5Very high104 Ų10463.8 Ų63.839%0.39232%0.318SS..Hα-helixtrans-59.8-27177.8-64.3-179.9-177.4-82.5-2.5113.1N37 V38 L170 D171N37-R174 PolarHBondContact ND2-O 2.8Å; V38-R174 HydrophobicContact CB-CG 4.04Å; V38-R174 HydrophobicContact CG2-CG 3.7Å; L170-R174 PolarHBondContact O-N 3.41Å; L170-R174 VanDerWaalsContact O-N 3.14Å; D171-R174 WeakPolarHBondContact O-CB 3.22Å; D171-R174 PolarHBondContact O-N 3.41Å; D171-R174 VanDerWaalsContact O-N 3.16Å; D171-R174 IonicContact OD1-NE 2.87Å
175T97.5Very high97.4Very high117 Ų11771.4 Ų71.472%0.71835%0.354SS*.THydrogen-bonded Turntrans-89.6-5-177.356.70000115.4D171 Q172 I173 D177D171-T175 PolarHBondContact O-N 2.83Å; Q172-T175 PolarHBondContact O-N 2.97Å; Q172-T175 PolarHBondContact O-OG1 2.75Å; I173-T175 PolarHBondContact O-N 3.11Å; T175-D177 PolarHBondContact O-N 3.24Å
176I97.9Very high97.4Very high22 Ų2269.9 Ų69.911%0.11335%0.346CS..  trans-66.9131.4-179.4-64.4172.8000110.2N37 I148 I167 I173 R178 P187 F188 I191N37-I176 PolarHBondContact ND2-O 2.98Å; I148-I176 HydrophobicContact CD1-CB 3.62Å; I148-I176 HydrophobicContact CD1-CD1 3.98Å; I148-I176 HydrophobicContact CD1-CG1 4.38Å; I148-I176 HydrophobicContact CD1-CG2 3.49Å; I148-I176 VanDerWaalsContact CD1-CG2 3.49Å; I167-I176 HydrophobicContact CD1-CD1 4.13Å; I173-I176 HydrophobicContact CG2-CD1 4.36Å; I173-I176 PolarHBondContact O-N 3.08Å; I176-R178 PolarHBondContact O-N 3.05Å; I176-P187 HydrophobicContact CD1-CB 4.32Å; I176-F188 HydrophobicContact CG2-CB 3.74Å; I176-F188 HydrophobicContact CG2-CD1 4.24Å; I176-F188 HydrophobicContact CG2-CD2 4.18Å; I176-F188 HydrophobicContact CG2-CG 3.81Å; I176-I191 HydrophobicContact CD1-CD1 3.88Å
177D96.7Very high97.4Very high114 Ų11467 Ų6761%0.6134%0.336SS*.  trans-75.7106.2166.6-173.84.2000109.3T175 H179T175-D177 PolarHBondContact O-N 3.24Å; D177-H179 PolarHBondContact OD1-N 3.49Å
178R97.2Very high97.4Very high16 Ų1666.9 Ų66.96%0.0634%0.335CS..  trans-88-19.6-176.369.3164.4-176.9-121.89.4113.9L32 E35 C36 N37 R108 D144 L145 L146 I148 I176 M180 F188L32-R178 PolarHBondContact O-NH2 3.2Å; E35-R178 PolarHBondContact O-NH1 3.17Å; E35-R178 PolarHBondContact O-NH2 3.48Å; C36-R178 PolarHBondContact O-NH1 2.82Å; C36-R178 VanDerWaalsContact O-NH1 3.07Å; N37-R178 VanDerWaalsContact CA-NH1 3.31Å; N37-R178 VanDerWaalsContact OD1-CD 3.23Å; N37-R178 WeakPolarHBondContact OD1-CD 3.29Å; N37-R178 WeakPolarHBondContact OD1-CG 3.41Å; N37-R178 PolarHBondContact OD1-NH1 2.82Å; R108-R178 PolarHBondContact NH1-O 2.93Å; R108-R178 VanDerWaalsContact NH1-O 3.13Å; D144-R178 CarbonylContact O-C 3.34Å; L145-R178 PolarHBondContact O-NE 3.13Å; L145-R178 PolarHBondContact O-NH2 2.68Å; L146-R178 WeakPolarHBondContact O-CD 3.43Å; I148-R178 HydrophobicContact CD1-CB 3.99Å; I148-R178 HydrophobicContact CG1-CB 4.07Å; I176-R178 PolarHBondContact O-N 3.05Å; R178-M180 PolarHBondContact O-N 2.77Å; R178-F188 HydrophobicContact CB-CZ 4.22Å
179H97.1Very high97.4Very high116 Ų11660.1 Ų60.154%0.53731%0.306SS..SBendtrans-79.658.3-170.8-173.5-150.6000112.1D144 L145 D177D144-H179 VanDerWaalsContact O-CA 3.26Å; D144-H179 WeakPolarHBondContact O-CA 3.47Å; L145-H179 HydrophobicContact CD2-CB 4.24Å; D177-H179 PolarHBondContact OD1-N 3.49Å
180M96.9Very high97.5Very high78 Ų7858.3 Ų58.338%0.38430%0.295SS..SBendtrans-156.7167.9-176.260-176.4-56.700110.6R108 R178 P183 F188R108-M180 PolarHBondContact NH1-O 3.2Å; R108-M180 PolarHBondContact NH2-O 3.08Å; R178-M180 PolarHBondContact O-N 2.77Å; M180-P183 HydrophobicContact CE-CG 3.84Å; M180-P183 HydrophobicContact SD-CG 4.31Å; M180-F188 HydrophobicContact CG-CD1 4.44Å; M180-F188 HydrophobicContact CG-CE1 4.15Å
181E97.5Very high97.5Very high45 Ų4557.6 Ų57.621%0.2129%0.291CS..PPolyproline II helixtrans-60.4145.7163.7-173.760.9-148.100110S113 R114 P183S113-E181 WeakPolarHBondContact CA-OE1 3.18Å; S113-E181 VanDerWaalsContact CB-OE1 3.22Å; S113-E181 WeakPolarHBondContact CB-OE1 3.33Å; R114-E181 VanDerWaalsContact CB-OE2 3.28Å; R114-E181 WeakPolarHBondContact CB-OE2 3.21Å; R114-E181 WeakPolarHBondContact CD-OE2 3.49Å; R114-E181 WeakPolarHBondContact CG-OE2 3.41Å; R114-E181 IonicContact CZ-OE2 2.73Å; R114-E181 PolarHBondContact N-OE1 2.88Å; R114-E181 PolarHBondContact N-OE2 3.2Å; R114-E181 IonicContact NE-OE2 3.15Å; R114-E181 IonicContact NH1-OE2 3.78Å; R114-E181 PolarHBondContact NH1-OE2 3.37Å; E181-P183 VanDerWaalsContact O-CD 3.27Å; E181-P183 WeakPolarHBondContact O-CD 3.42Å
182I97.6Very high97.5Very high10 Ų1052.5 Ų52.55%0.05126%0.264CS..PPolyproline II helixtrans-60.6122.3178.2-55.1177000108.8L192I182-L192 HydrophobicContact CD1-CD1 3.51Å; I182-L192 HydrophobicContact CG1-CD1 3.97Å; I182-L192 HydrophobicContact CG2-CD1 4.21Å
183P97.2Very high97.5Very high40 Ų4051.4 Ų51.426%0.2626%0.257SS..PPolyproline II helixtrans-62.6159.7175.3-22.433.6000112.5M180 E181 E185 F188 C189M180-P183 HydrophobicContact CE-CG 3.84Å; M180-P183 HydrophobicContact SD-CG 4.31Å; E181-P183 VanDerWaalsContact O-CD 3.27Å; E181-P183 WeakPolarHBondContact O-CD 3.42Å; P183-E185 VanDerWaalsContact C-N 3.28Å; P183-E185 WeakPolarHBondContact CB-O 3.01Å; P183-E185 PolarHBondContact O-N 3.06Å; P183-F188 HydrophobicContact CG-CD1 4.28Å; P183-C189 VanDerWaalsContact O-CB 3.31Å; P183-C189 WeakPolarHBondContact O-CB 3.49Å; P183-C189 PolarHBondContact O-SG 3.14Å
184H94.9Very high97.6Very high138 Ų13851.2 Ų51.264%0.63926%0.256SS*.SBendtrans-72.9-19.4175.6-67.5-71.9000113.9Q115Q115-H184 PolarHBondContact NE2-CE1 3.03Å; Q115-H184 PolarHBondContact NE2-NE2 3.04Å; Q115-H184 PolarHBondContact OE1-CE1 3.42Å
185E96.1Very high97.6Very high162 Ų16246.6 Ų46.676%0.75724%0.239SC*.SBendtrans-151.4168.4179.663.6177.4-164.500111.3P183P183-E185 VanDerWaalsContact C-N 3.28Å; P183-E185 WeakPolarHBondContact CB-O 3.01Å; P183-E185 PolarHBondContact O-N 3.06Å
186G97.6Very high97.6Very high12 Ų1241.1 Ų41.112%0.12421%0.205CC..SBendtrans97.6178.7175.100000113.7F188 C189 D190G186-F188 VanDerWaalsContact C-N 3.26Å; G186-F188 PolarHBondContact O-N 3.13Å; G186-F188 VanDerWaalsContact O-N 3.11Å; G186-C189 WeakPolarHBondContact O-CB 3.31Å; G186-C189 PolarHBondContact O-N 2.96Å; G186-D190 PolarHBondContact O-N 3.22Å
187P97.5Very high97.6Very high42 Ų4243.5 Ų43.527%0.27322%0.218SC..Hα-helixtrans-56.8-36.1-167.119.4-32.3000114.1Q166 I167 I176 I191Q166-P187 HydrophobicContact CB-CB 4.47Å; I167-P187 HydrophobicContact CD1-CB 3.57Å; I167-P187 HydrophobicContact CG1-CB 3.67Å; I176-P187 HydrophobicContact CD1-CB 4.32Å; P187-I191 WeakPolarHBondContact O-CG1 3.2Å; P187-I191 PolarHBondContact O-N 3.11Å; P187-I191 VanDerWaalsContact O-N 3.16Å
188F98.3Very high97.5Very high7 Ų745 Ų453%0.03123%0.226CC..Hα-helixtrans-69.7-44.1178.5-171.6-161.1000112I148 I176 R178 M180 P183 G186 L192I148-F188 HydrophobicContact CD1-CD2 3.96Å; I148-F188 HydrophobicContact CD1-CE2 3.96Å; I148-F188 HydrophobicContact CG1-CD2 4.35Å; I148-F188 HydrophobicContact CG1-CE2 3.93Å; I176-F188 HydrophobicContact CG2-CB 3.74Å; I176-F188 HydrophobicContact CG2-CD1 4.24Å; I176-F188 HydrophobicContact CG2-CD2 4.18Å; I176-F188 HydrophobicContact CG2-CG 3.81Å; R178-F188 HydrophobicContact CB-CZ 4.22Å; M180-F188 HydrophobicContact CG-CD1 4.44Å; M180-F188 HydrophobicContact CG-CE1 4.15Å; P183-F188 HydrophobicContact CG-CD1 4.28Å; G186-F188 VanDerWaalsContact C-N 3.26Å; G186-F188 PolarHBondContact O-N 3.13Å; G186-F188 VanDerWaalsContact O-N 3.11Å; F188-L192 HydrophobicContact CD2-CD1 4.08Å; F188-L192 HydrophobicContact CE2-CD1 3.69Å; F188-L192 HydrophobicContact CE2-CG 4.43Å; F188-L192 HydrophobicContact CZ-CD1 4.35Å; F188-L192 WeakPolarHBondContact O-CG 3.23Å
189C98.4Very high97.4Very high1 Ų145.7 Ų45.71%0.00723%0.232CC..Hα-helixtrans-61.6-47.9174.1-172.70000110.6P183 G186 I191 L192 W193P183-C189 VanDerWaalsContact O-CB 3.31Å; P183-C189 WeakPolarHBondContact O-CB 3.49Å; P183-C189 PolarHBondContact O-SG 3.14Å; G186-C189 WeakPolarHBondContact O-CB 3.31Å; G186-C189 PolarHBondContact O-N 2.96Å; C189-I191 PolarHBondContact O-N 3.19Å; C189-L192 PolarHBondContact O-N 2.93Å; C189-W193 PolarHBondContact O-N 3.47Å; C189-W193 VanDerWaalsContact SG-CD1 3.59Å
190D98.5Very high97.2Very high3 Ų344.3 Ų44.32%0.01624%0.241CC..Hα-helixtrans-59.5-43.6-175.7-64-17.5000112.6S164 G186 L192 W193 S194 Y211S164-D190 VanDerWaalsContact CB-CB 3.41Å; S164-D190 WeakPolarHBondContact CB-OD2 3.48Å; S164-D190 PolarHBondContact OG-OD2 3.22Å; G186-D190 PolarHBondContact O-N 3.22Å; D190-L192 PolarHBondContact O-N 2.82Å; D190-W193 PolarHBondContact O-N 2.89Å; D190-S194 WeakPolarHBondContact O-CB 3.15Å; D190-S194 PolarHBondContact O-N 3.41Å; D190-S194 PolarHBondContact O-OG 2.88Å; D190-Y211 WeakPolarHBondContact OD1-CE2 3.49Å
191I98.4Very high97.1Very high2 Ų244.3 Ų44.31%0.0124%0.24CC..Hα-helixtrans-60.2-30.5177.7-72.8169.7000111.5I148 V159 G161 G162 I167 I173 I176 P187 C189I148-I191 HydrophobicContact CG2-CB 4.48Å; I148-I191 HydrophobicContact CG2-CD1 3.9Å; I148-I191 HydrophobicContact CG2-CG2 3.85Å; V159-I191 HydrophobicContact CB-CG2 4.02Å; V159-I191 HydrophobicContact CG1-CG2 3.95Å; G161-I191 CarbonylContact C-O 3.55Å; G161-I191 WeakPolarHBondContact CA-O 3.46Å; G161-I191 PolarHBondContact N-O 3.07Å; G162-I191 PolarHBondContact N-O 3.12Å; I167-I191 HydrophobicContact CD1-CD1 3.28Å; I167-I191 HydrophobicContact CD1-CG1 3.74Å; I173-I191 HydrophobicContact CB-CD1 4.47Å; I173-I191 HydrophobicContact CD1-CD1 4.13Å; I173-I191 HydrophobicContact CG1-CD1 3.99Å; I173-I191 HydrophobicContact CG2-CD1 3.9Å; I176-I191 HydrophobicContact CD1-CD1 3.88Å; P187-I191 WeakPolarHBondContact O-CG1 3.2Å; P187-I191 PolarHBondContact O-N 3.11Å; P187-I191 VanDerWaalsContact O-N 3.16Å; C189-I191 PolarHBondContact O-N 3.19Å
192L98.5Very high97.1Very high0 Ų046.1 Ų46.10%025%0.245CC..Hα-helixtrans-92.9-20.8-175.7-57.5-176.2000113.4R108 N110 H160 I182 F188 C189 D190R108-L192 HydrophobicContact CG-CD1 4.43Å; R108-L192 WeakPolarHBondContact O-CD2 3.33Å; N110-L192 HydrophobicContact CB-CB 4.41Å; H160-L192 HydrophobicContact CB-CD2 4.07Å; H160-L192 PolarHBondContact CD2-O 2.67Å; H160-L192 VanDerWaalsContact CD2-O 3.27Å; I182-L192 HydrophobicContact CD1-CD1 3.51Å; I182-L192 HydrophobicContact CG1-CD1 3.97Å; I182-L192 HydrophobicContact CG2-CD1 4.21Å; F188-L192 HydrophobicContact CD2-CD1 4.08Å; F188-L192 HydrophobicContact CE2-CD1 3.69Å; F188-L192 HydrophobicContact CE2-CG 4.43Å; F188-L192 HydrophobicContact CZ-CD1 4.35Å; F188-L192 WeakPolarHBondContact O-CG 3.23Å; C189-L192 PolarHBondContact O-N 2.93Å; D190-L192 PolarHBondContact O-N 2.82Å
193W98.5Very high97.1Very high47 Ų4747.3 Ų47.318%0.17826%0.256CS..Hα-helixtrans-119.6-15.2-173-74.895.3000115.3N110 V116 C189 D190 R207 A209N110-W193 HydrophobicContact CB-CD2 3.94Å; N110-W193 VanDerWaalsContact CB-CE2 3.49Å; N110-W193 HydrophobicContact CB-CG 4.37Å; N110-W193 HydrophobicContact CB-CH2 4.35Å; N110-W193 HydrophobicContact CB-CZ2 3.72Å; N110-W193 WeakPolarHBondContact ND2-CH2 3.44Å; N110-W193 WeakPolarHBondContact ND2-CZ2 3.22Å; V116-W193 HydrophobicContact CG2-CH2 4.28Å; V116-W193 HydrophobicContact CG2-CZ2 3.91Å; C189-W193 PolarHBondContact O-N 3.47Å; C189-W193 VanDerWaalsContact SG-CD1 3.59Å; D190-W193 PolarHBondContact O-N 2.89Å; W193-R207 HydrophobicContact CE3-CB 4.27Å; W193-A209 HydrophobicContact CB-CB 3.96Å; W193-A209 HydrophobicContact CD2-CB 3.83Å; W193-A209 HydrophobicContact CE3-CB 4.2Å; W193-A209 HydrophobicContact CG-CB 3.74Å
194S98.6Very high97.1Very high0 Ų051.4 Ų51.40%028%0.28CS..  trans-74.9148.9-175.6-59.20000112.3G161 G162 L163 D190 Y211 R232G161-S194 CarbonylContact C-O 3.57Å; G161-S194 VanDerWaalsContact C-O 3.27Å; G162-S194 PolarHBondContact N-O 2.64Å; L163-S194 WeakPolarHBondContact O-CB 3.23Å; L163-S194 PolarHBondContact O-OG 3.19Å; L163-S194 VanDerWaalsContact O-OG 3.09Å; D190-S194 WeakPolarHBondContact O-CB 3.15Å; D190-S194 PolarHBondContact O-N 3.41Å; D190-S194 PolarHBondContact O-OG 2.88Å; S194-Y211 CarbonylContact C-O 3.53Å; S194-Y211 WeakPolarHBondContact CA-O 3.04Å; S194-Y211 WeakPolarHBondContact CB-O 3.21Å; S194-Y211 PolarHBondContact OG-N 2.86Å; S194-R232 PolarHBondContact O-NH1 2.85Å
195D98.5Very high97.2Very high7 Ų745.1 Ų45.14%0.03725%0.252CS..EExtended strand (participates in β ladder)trans-128.3139.8-173.9-86-22000113.2R207 Y211 L212 F213 R232 H234 Q235D195-R207 IonicContact OD1-NE 3.43Å; D195-R207 IonicContact OD1-NH2 3.78Å; D195-R207 PolarHBondContact OD1-NH2 3.45Å; D195-R207 IonicContact OD2-CZ 3.8Å; D195-R207 IonicContact OD2-NE 2.81Å; D195-R207 PolarHBondContact OD2-NE 3.48Å; D195-R207 IonicContact OD2-NH2 2.59Å; D195-R207 PolarHBondContact OD2-NH2 3.28Å; D195-Y211 PolarHBondContact N-O 2.86Å; D195-L212 HydrophobicContact CB-CD2 3.87Å; D195-L212 CarbonylContact O-C 3.59Å; D195-L212 WeakPolarHBondContact O-CA 3.48Å; D195-F213 VanDerWaalsContact C-CD1 3.45Å; D195-F213 WeakPolarHBondContact O-CD1 3.37Å; D195-F213 PolarHBondContact O-N 3.34Å; D195-R232 IonicContact OD1-CZ 3.69Å; D195-R232 IonicContact OD1-NH1 3.72Å; D195-R232 PolarHBondContact OD1-NH1 3.06Å; D195-R232 IonicContact OD1-NH2 3.69Å; D195-R232 PolarHBondContact OD1-NH2 3.4Å; D195-H234 IonicContact OD1-CD2 2.81Å; D195-H234 PolarHBondContact OD1-CD2 2.91Å; D195-H234 VanDerWaalsContact OD1-CD2 3.27Å; D195-Q235 VanDerWaalsContact CG-CD 3.47Å; D195-Q235 VanDerWaalsContact CG-NE2 3.31Å; D195-Q235 VanDerWaalsContact OD1-CG 3.28Å; D195-Q235 WeakPolarHBondContact OD1-CG 3.27Å; D195-Q235 PolarHBondContact OD2-NE2 2.98Å
196P98.1Very high97.2Very high2 Ų242.9 Ų42.91%0.01325%0.252CS..EExtended strand (participates in β ladder)trans-69.6143.4167.132.4-37.6000111F213 Q235 M244 F245 L249P196-F213 VanDerWaalsContact CA-O 3.29Å; P196-F213 WeakPolarHBondContact CA-O 3.37Å; P196-F213 HydrophobicContact CB-CD2 4.44Å; P196-F213 HydrophobicContact CB-CE1 4.39Å; P196-F213 HydrophobicContact CB-CE2 3.87Å; P196-F213 HydrophobicContact CB-CZ 3.84Å; P196-F213 HydrophobicContact CG-CZ 4.29Å; P196-F213 VanDerWaalsContact N-CE1 3.33Å; P196-Q235 VanDerWaalsContact CG-OE1 3.22Å; P196-Q235 PolarHBondContact O-NE2 3.33Å; P196-M244 HydrophobicContact CB-CE 3.92Å; P196-M244 HydrophobicContact CB-SD 4.17Å; P196-M244 HydrophobicContact CG-CE 4.23Å; P196-M244 HydrophobicContact CG-SD 3.94Å; P196-F245 HydrophobicContact CB-CE2 3.72Å; P196-F245 HydrophobicContact CB-CZ 3.9Å; P196-L249 HydrophobicContact CB-CD2 3.31Å; P196-L249 HydrophobicContact CG-CD2 3.56Å
197D97.2Very high97Very high72 Ų7247.1 Ų47.139%0.38526%0.264SS..  trans-155.9170.9174-157.1-2.6000110.8V199 L212 F213D197-V199 HydrophobicContact CB-CG1 4.31Å; D197-V199 PolarHBondContact O-N 3.1Å; D197-L212 HydrophobicContact CB-CB 4.26Å; D197-L212 HydrophobicContact CB-CD1 4.29Å; D197-L212 HydrophobicContact CB-CD2 4.25Å; D197-L212 HydrophobicContact CB-CG 4.49Å; D197-F213 PolarHBondContact N-O 2.9Å
198D94.3Very high96.9Very high144 Ų14448.8 Ų48.877%0.7729%0.288SS*.SBendtrans-78.858.8177.4-68.9-30000111.4
199V96.2Very high96.8Very high31 Ų3149.3 Ų49.319%0.18829%0.294CS..  trans-110156.5176.8-62.10000111.3D197 Q201 A203 L212 G214D197-V199 HydrophobicContact CB-CG1 4.31Å; D197-V199 PolarHBondContact O-N 3.1Å; V199-Q201 PolarHBondContact O-N 3.32Å; V199-A203 HydrophobicContact CB-CB 4.4Å; V199-A203 HydrophobicContact CG1-CB 3.96Å; V199-L212 HydrophobicContact CG1-CB 4.43Å; V199-L212 HydrophobicContact CG1-CD1 4.47Å; V199-L212 HydrophobicContact CG2-CB 4.34Å; V199-G214 VanDerWaalsContact O-CA 3.28Å; V199-G214 WeakPolarHBondContact O-CA 3.36Å
200A91.6Very high96.7Very high88 Ų8849.9 Ų49.973%0.72730%0.3SS*.SBendtrans-65.3-41.6-176.800000113.5
201Q94.9Very high96.7Very high77 Ų7753.6 Ų53.636%0.3631%0.314SS..SBendtrans-146.4-86.4178.1-72-172.1-32.600109.9V199 F213 G214 K216 V217V199-Q201 PolarHBondContact O-N 3.32Å; Q201-F213 CarbonylContact O-C 3.5Å; Q201-F213 VanDerWaalsContact O-CA 3.3Å; Q201-F213 WeakPolarHBondContact O-CA 3.5Å; Q201-G214 PolarHBondContact O-N 3.34Å; Q201-K216 HydrophobicContact CG-CB 4.48Å; Q201-K216 HydrophobicContact CG-CD 3.95Å; Q201-K216 HydrophobicContact CG-CG 4.49Å; Q201-K216 VanDerWaalsContact NE2-CE 3.26Å; Q201-V217 HydrophobicContact CB-CG1 3.81Å; Q201-V217 HydrophobicContact CG-CG1 4.05Å
202W97.7Very high96.7Very high83 Ų8354.4 Ų54.431%0.31432%0.319SS..EExtended strand (participates in β ladder)trans-119.9143.6178.1-59.999.7000109.7L163 P165 Y211 L212 F213 V217L163-W202 HydrophobicContact CB-CH2 3.67Å; L163-W202 HydrophobicContact CB-CZ3 4.31Å; P165-W202 HydrophobicContact CB-CD2 3.93Å; P165-W202 HydrophobicContact CB-CE3 4.3Å; P165-W202 HydrophobicContact CB-CG 4.33Å; P165-W202 HydrophobicContact CB-CH2 4.48Å; P165-W202 HydrophobicContact CB-CZ2 4.13Å; P165-W202 HydrophobicContact CG-CE3 4.44Å; P165-W202 VanDerWaalsContact N-CH2 3.33Å; W202-Y211 HydrophobicContact CE3-CG 4.35Å; W202-L212 CarbonylContact C-O 3.6Å; W202-L212 VanDerWaalsContact CA-O 3.3Å; W202-L212 WeakPolarHBondContact CA-O 3.41Å; W202-F213 HydrophobicContact CD2-CB 4.42Å; W202-F213 HydrophobicContact CE3-CB 3.66Å; W202-F213 HydrophobicContact CH2-CB 4.11Å; W202-F213 HydrophobicContact CZ3-CB 3.5Å; W202-F213 HydrophobicContact CZ3-CD1 4.48Å; W202-F213 HydrophobicContact CZ3-CG 4.28Å; W202-V217 HydrophobicContact CD2-CG2 4.49Å; W202-V217 HydrophobicContact CH2-CG2 4.47Å; W202-V217 HydrophobicContact CZ2-CB 4.03Å; W202-V217 HydrophobicContact CZ2-CG1 4.35Å; W202-V217 HydrophobicContact CZ2-CG2 4.06Å
203A97.7Very high96.7Very high36 Ų3654.4 Ų54.430%0.29832%0.319SS..EExtended strand (participates in β ladder)trans-139.3164.6167.500000110.6V199 S205 L212V199-A203 HydrophobicContact CB-CB 4.4Å; V199-A203 HydrophobicContact CG1-CB 3.96Å; A203-S205 PolarHBondContact O-N 2.73Å; A203-L212 HydrophobicContact CB-CB 4.13Å; A203-L212 HydrophobicContact CB-CD1 4.43Å; A203-L212 PolarHBondContact N-O 3.25Å; A203-L212 PolarHBondContact O-N 2.69Å
204V96.6Very high96.7Very high126 Ų12652.2 Ų52.276%0.76431%0.31SS*.EExtended strand (participates in β ladder)trans-66.7132.1177.7178.40000109.3
205S97.2Very high96.7Very high6 Ų654.4 Ų54.44%0.04232%0.324CS..  trans-72133.1177.3179.30000111.6A203 R207 G208 A209 G210A203-S205 PolarHBondContact O-N 2.73Å; S205-R207 PolarHBondContact O-N 3.37Å; S205-R207 WeakPolarHBondContact OG-CB 3.09Å; S205-R207 PolarHBondContact OG-N 3.13Å; S205-R207 VanDerWaalsContact OG-N 3.16Å; S205-G208 PolarHBondContact O-N 3.27Å; S205-A209 WeakPolarHBondContact CB-O 3.27Å; S205-A209 PolarHBondContact OG-O 3.18Å; S205-A209 VanDerWaalsContact OG-O 3.13Å; S205-G210 VanDerWaalsContact CB-O 3.26Å; S205-G210 WeakPolarHBondContact CB-O 3.23Å
206P96.2Very high96.6Very high115 Ų11559.1 Ų59.175%0.74735%0.345SS*.THydrogen-bonded Turntrans-67.4-11.3171.330.1-35.2000112.5G208P206-G208 PolarHBondContact O-N 2.88Å
207R93.7Very high96.6Very high101 Ų10159.5 Ų59.538%0.38135%0.347SS..THydrogen-bonded Turntrans-70.3-16.9174.6-58.8-173.8-179.4-110.110.8113.2W193 D195 S205 A209 H234W193-R207 HydrophobicContact CE3-CB 4.27Å; D195-R207 IonicContact OD1-NE 3.43Å; D195-R207 IonicContact OD1-NH2 3.78Å; D195-R207 PolarHBondContact OD1-NH2 3.45Å; D195-R207 IonicContact OD2-CZ 3.8Å; D195-R207 IonicContact OD2-NE 2.81Å; D195-R207 PolarHBondContact OD2-NE 3.48Å; D195-R207 IonicContact OD2-NH2 2.59Å; D195-R207 PolarHBondContact OD2-NH2 3.28Å; S205-R207 PolarHBondContact O-N 3.37Å; S205-R207 WeakPolarHBondContact OG-CB 3.09Å; S205-R207 PolarHBondContact OG-N 3.13Å; S205-R207 VanDerWaalsContact OG-N 3.16Å; R207-A209 PolarHBondContact O-N 3.47Å; R207-H234 PolarHBondContact NE-NE2 2.85Å; R207-H234 PolarHBondContact NH1-CE1 2.99Å; R207-H234 PolarHBondContact NH1-NE2 3.35Å; R207-H234 PolarHBondContact NH2-CD2 3.3Å; R207-H234 PolarHBondContact NH2-NE2 2.89Å; R207-H234 PolarHBondContact NH2-O 2.9Å
208G95Very high96.6Very high76 Ų7656 Ų5678%0.78433%0.328SS*.SBendtrans77.34.3-171.700000114.3S205 P206S205-G208 PolarHBondContact O-N 3.27Å; P206-G208 PolarHBondContact O-N 2.88Å
209A96.4Very high96.8Very high18 Ų1851.1 Ų51.115%0.14930%0.301CS..SBendtrans-144.4150.8174.200000109.4W193 S205 R207W193-A209 HydrophobicContact CB-CB 3.96Å; W193-A209 HydrophobicContact CD2-CB 3.83Å; W193-A209 HydrophobicContact CE3-CB 4.2Å; W193-A209 HydrophobicContact CG-CB 3.74Å; S205-A209 WeakPolarHBondContact CB-O 3.27Å; S205-A209 PolarHBondContact OG-O 3.18Å; S205-A209 VanDerWaalsContact OG-O 3.13Å; R207-A209 PolarHBondContact O-N 3.47Å
210G97.3Very high96.9Very high13 Ų1354.2 Ų54.213%0.13431%0.313CS..SBendtrans62.7-162.4-173.900000113.7S205S205-G210 VanDerWaalsContact CB-O 3.26Å; S205-G210 WeakPolarHBondContact CB-O 3.23Å
211Y98.3Very high97.2Very high82 Ų8250.6 Ų50.632%0.32228%0.281SS..EExtended strand (participates in β ladder)trans-132.8157.3-175.7-67.6-95.3000111.7P165 D190 S194 D195 W202P165-Y211 HydrophobicContact CG-CD1 4.35Å; P165-Y211 HydrophobicContact CG-CD2 3.71Å; P165-Y211 HydrophobicContact CG-CE1 4.25Å; P165-Y211 HydrophobicContact CG-CE2 3.62Å; P165-Y211 HydrophobicContact CG-CG 4.1Å; D190-Y211 WeakPolarHBondContact OD1-CE2 3.49Å; S194-Y211 CarbonylContact C-O 3.53Å; S194-Y211 WeakPolarHBondContact CA-O 3.04Å; S194-Y211 WeakPolarHBondContact CB-O 3.21Å; S194-Y211 PolarHBondContact OG-N 2.86Å; D195-Y211 PolarHBondContact N-O 2.86Å; W202-Y211 HydrophobicContact CE3-CG 4.35Å
212L98.5Very high97.4Very high19 Ų1947 Ų4710%0.09926%0.264CS..EExtended strand (participates in β ladder)trans-81.8141.4157.7-58.8179.2000109.1D195 D197 V199 W202 A203D195-L212 HydrophobicContact CB-CD2 3.87Å; D195-L212 CarbonylContact O-C 3.59Å; D195-L212 WeakPolarHBondContact O-CA 3.48Å; D197-L212 HydrophobicContact CB-CB 4.26Å; D197-L212 HydrophobicContact CB-CD1 4.29Å; D197-L212 HydrophobicContact CB-CD2 4.25Å; D197-L212 HydrophobicContact CB-CG 4.49Å; V199-L212 HydrophobicContact CG1-CB 4.43Å; V199-L212 HydrophobicContact CG1-CD1 4.47Å; V199-L212 HydrophobicContact CG2-CB 4.34Å; W202-L212 CarbonylContact C-O 3.6Å; W202-L212 VanDerWaalsContact CA-O 3.3Å; W202-L212 WeakPolarHBondContact CA-O 3.41Å; A203-L212 HydrophobicContact CB-CB 4.13Å; A203-L212 HydrophobicContact CB-CD1 4.43Å; A203-L212 PolarHBondContact N-O 3.25Å; A203-L212 PolarHBondContact O-N 2.69Å
213F98.6Very high97.4Very high0 Ų049.3 Ų49.30%028%0.278CS..EExtended strand (participates in β ladder)trans-134.9142.2177.667.5-91.4000113.1L163 D195 P196 D197 Q201 W202 V217 T218 F245 L249L163-F213 HydrophobicContact CB-CD1 4.46Å; L163-F213 HydrophobicContact CB-CG 4.43Å; L163-F213 HydrophobicContact CD1-CD2 4.17Å; L163-F213 HydrophobicContact CD1-CE2 4.21Å; L163-F213 HydrophobicContact CG-CD2 4.45Å; L163-F213 HydrophobicContact CG-CE2 4.24Å; L163-F213 HydrophobicContact CG-CZ 4.44Å; D195-F213 VanDerWaalsContact C-CD1 3.45Å; D195-F213 WeakPolarHBondContact O-CD1 3.37Å; D195-F213 PolarHBondContact O-N 3.34Å; P196-F213 VanDerWaalsContact CA-O 3.29Å; P196-F213 WeakPolarHBondContact CA-O 3.37Å; P196-F213 HydrophobicContact CB-CD2 4.44Å; P196-F213 HydrophobicContact CB-CE1 4.39Å; P196-F213 HydrophobicContact CB-CE2 3.87Å; P196-F213 HydrophobicContact CB-CZ 3.84Å; P196-F213 HydrophobicContact CG-CZ 4.29Å; P196-F213 VanDerWaalsContact N-CE1 3.33Å; D197-F213 PolarHBondContact N-O 2.9Å; Q201-F213 CarbonylContact O-C 3.5Å; Q201-F213 VanDerWaalsContact O-CA 3.3Å; Q201-F213 WeakPolarHBondContact O-CA 3.5Å; W202-F213 HydrophobicContact CD2-CB 4.42Å; W202-F213 HydrophobicContact CE3-CB 3.66Å; W202-F213 HydrophobicContact CH2-CB 4.11Å; W202-F213 HydrophobicContact CZ3-CB 3.5Å; W202-F213 HydrophobicContact CZ3-CD1 4.48Å; W202-F213 HydrophobicContact CZ3-CG 4.28Å; F213-V217 HydrophobicContact CB-CG2 3.75Å; F213-V217 HydrophobicContact CD2-CG2 4.47Å; F213-T218 WeakPolarHBondContact CD2-OG1 3.41Å; F213-T218 WeakPolarHBondContact CE2-OG1 3.06Å; F213-F245 HydrophobicContact CD2-CE2 4.41Å; F213-F245 HydrophobicContact CE2-CE2 4.3Å; F213-L249 HydrophobicContact CE2-CD1 4.43Å; F213-L249 HydrophobicContact CE2-CD2 3.92Å; F213-L249 HydrophobicContact CZ-CD1 4.47Å; F213-L249 HydrophobicContact CZ-CD2 4.13Å
214G98Very high97.4Very high0 Ų052.8 Ų52.80%029%0.291CS..  trans-103.5179.9-174.200000114.8V199 Q201 K216 V217 T218V199-G214 VanDerWaalsContact O-CA 3.28Å; V199-G214 WeakPolarHBondContact O-CA 3.36Å; Q201-G214 PolarHBondContact O-N 3.34Å; G214-K216 VanDerWaalsContact C-N 3.33Å; G214-K216 PolarHBondContact O-N 3.04Å; G214-V217 VanDerWaalsContact O-CG2 3.24Å; G214-V217 WeakPolarHBondContact O-CG2 3.33Å; G214-V217 PolarHBondContact O-N 3.33Å; G214-T218 PolarHBondContact O-N 2.93Å; G214-T218 PolarHBondContact O-OG1 2.7Å
215P97.7Very high97.5Very high46 Ų4648.3 Ų48.330%0.29926%0.263SS..Hα-helixtrans-57.5-44.3-177.419.8-30000112.1V217 T218 H219 F245P215-V217 VanDerWaalsContact C-N 3.34Å; P215-V217 PolarHBondContact O-N 3.1Å; P215-T218 WeakPolarHBondContact O-CB 3.14Å; P215-T218 PolarHBondContact O-N 3.13Å; P215-T218 VanDerWaalsContact O-N 3.11Å; P215-H219 PolarHBondContact O-CD2 3.24Å; P215-H219 PolarHBondContact O-N 2.92Å; P215-F245 HydrophobicContact CB-CB 4.03Å; P215-F245 HydrophobicContact CB-CD1 3.52Å; P215-F245 HydrophobicContact CB-CE1 4.08Å; P215-F245 HydrophobicContact CB-CG 3.78Å; P215-F245 HydrophobicContact CG-CD1 4.1Å; P215-F245 HydrophobicContact CG-CE1 4.23Å
216K97.4Very high97.5Very high107 Ų10749.7 Ų49.747%0.46528%0.279SS..Hα-helixtrans-54.9-48.2-174.6-178.6173.3174.8-170.30112.5Q201 G214 H219 E220Q201-K216 HydrophobicContact CG-CB 4.48Å; Q201-K216 HydrophobicContact CG-CD 3.95Å; Q201-K216 HydrophobicContact CG-CG 4.49Å; Q201-K216 VanDerWaalsContact NE2-CE 3.26Å; G214-K216 VanDerWaalsContact C-N 3.33Å; G214-K216 PolarHBondContact O-N 3.04Å; K216-H219 PolarHBondContact O-N 3.47Å; K216-E220 WeakPolarHBondContact CE-OE1 3.23Å; K216-E220 WeakPolarHBondContact O-CB 3.35Å; K216-E220 WeakPolarHBondContact O-CG 3.39Å; K216-E220 PolarHBondContact O-N 2.92Å
217V97.6Very high97.6Very high9 Ų944.7 Ų44.76%0.05525%0.246CC..Hα-helixtrans-74.4-30.1-177.7-61.50000111.6Q201 W202 F213 G214 P215 F221Q201-V217 HydrophobicContact CB-CG1 3.81Å; Q201-V217 HydrophobicContact CG-CG1 4.05Å; W202-V217 HydrophobicContact CD2-CG2 4.49Å; W202-V217 HydrophobicContact CH2-CG2 4.47Å; W202-V217 HydrophobicContact CZ2-CB 4.03Å; W202-V217 HydrophobicContact CZ2-CG1 4.35Å; W202-V217 HydrophobicContact CZ2-CG2 4.06Å; F213-V217 HydrophobicContact CB-CG2 3.75Å; F213-V217 HydrophobicContact CD2-CG2 4.47Å; G214-V217 VanDerWaalsContact O-CG2 3.24Å; G214-V217 WeakPolarHBondContact O-CG2 3.33Å; G214-V217 PolarHBondContact O-N 3.33Å; P215-V217 VanDerWaalsContact C-N 3.34Å; P215-V217 PolarHBondContact O-N 3.1Å; V217-F221 VanDerWaalsContact O-CB 3.3Å; V217-F221 WeakPolarHBondContact O-CB 3.4Å; V217-F221 PolarHBondContact O-N 2.55Å
218T98.2Very high97.8Very high0 Ų043.2 Ų43.20%024%0.243CC..Hα-helixtrans-63.8-48.9170.2-56.30000111.5F213 G214 P215 F221 V222 I230 F245 R248 L249F213-T218 WeakPolarHBondContact CD2-OG1 3.41Å; F213-T218 WeakPolarHBondContact CE2-OG1 3.06Å; G214-T218 PolarHBondContact O-N 2.93Å; G214-T218 PolarHBondContact O-OG1 2.7Å; P215-T218 WeakPolarHBondContact O-CB 3.14Å; P215-T218 PolarHBondContact O-N 3.13Å; P215-T218 VanDerWaalsContact O-N 3.11Å; T218-F221 PolarHBondContact O-N 3.24Å; T218-V222 HydrophobicContact CG2-CG2 4.39Å; T218-V222 WeakPolarHBondContact O-CB 3.32Å; T218-V222 VanDerWaalsContact O-CG2 3.31Å; T218-V222 WeakPolarHBondContact O-CG2 3.49Å; T218-V222 PolarHBondContact O-N 2.9Å; T218-I230 HydrophobicContact CG2-CD1 4.09Å; T218-F245 HydrophobicContact CG2-CD2 4.02Å; T218-F245 WeakPolarHBondContact OG1-CD2 3.32Å; T218-R248 HydrophobicContact CG2-CB 4.24Å; T218-L249 HydrophobicContact CG2-CB 4.19Å
219H98Very high98Very high40 Ų4039.9 Ų39.919%0.18521%0.208CC..Hα-helixtrans-60.1-48.8177.9-78.1-81.4000111.5P215 K216 F221 V222 E223 D246P215-H219 PolarHBondContact O-CD2 3.24Å; P215-H219 PolarHBondContact O-N 2.92Å; K216-H219 PolarHBondContact O-N 3.47Å; H219-F221 VanDerWaalsContact C-N 3.3Å; H219-F221 PolarHBondContact O-N 3.16Å; H219-V222 PolarHBondContact O-N 3.38Å; H219-E223 WeakPolarHBondContact O-CB 3.32Å; H219-E223 WeakPolarHBondContact O-CG 3.22Å; H219-E223 PolarHBondContact O-N 2.99Å; H219-D246 IonicContact CE1-OD2 3.74Å; H219-D246 IonicContact NE2-OD2 2.69Å; H219-D246 PolarHBondContact NE2-OD2 3.26Å
220E97.7Very high98.1Very high96 Ų9639 Ų3945%0.44920%0.2SC..Hα-helixtrans-57-43.7176.9-74.5173-171.900111.7K216 L224K216-E220 WeakPolarHBondContact CE-OE1 3.23Å; K216-E220 WeakPolarHBondContact O-CB 3.35Å; K216-E220 WeakPolarHBondContact O-CG 3.39Å; K216-E220 PolarHBondContact O-N 2.92Å; E220-L224 WeakPolarHBondContact O-CB 3.32Å; E220-L224 PolarHBondContact O-N 3.2Å
221F98.5Very high98.2Very high12 Ų1238.4 Ų38.45%0.05319%0.194CC..Hα-helixtrans-66.3-45178.5-171.8-81000112.2L157 L163 I167 K168 L170 V217 T218 H219 N225 L227 I230L157-F221 HydrophobicContact CD2-CE1 3.7Å; L157-F221 HydrophobicContact CD2-CZ 4.18Å; L163-F221 HydrophobicContact CD1-CB 3.99Å; L163-F221 HydrophobicContact CD1-CG 4.19Å; L163-F221 HydrophobicContact CD2-CD1 3.91Å; L163-F221 HydrophobicContact CD2-CD2 4.03Å; L163-F221 HydrophobicContact CD2-CE1 4.07Å; L163-F221 HydrophobicContact CD2-CE2 4.15Å; L163-F221 HydrophobicContact CD2-CG 3.91Å; L163-F221 HydrophobicContact CD2-CZ 4.18Å; I167-F221 HydrophobicContact CG2-CE2 4.12Å; K168-F221 WeakPolarHBondContact O-CD2 3.49Å; K168-F221 WeakPolarHBondContact O-CE2 3.38Å; L170-F221 HydrophobicContact CD2-CE1 4.24Å; L170-F221 HydrophobicContact CD2-CZ 4.15Å; V217-F221 VanDerWaalsContact O-CB 3.3Å; V217-F221 WeakPolarHBondContact O-CB 3.4Å; V217-F221 PolarHBondContact O-N 2.55Å; T218-F221 PolarHBondContact O-N 3.24Å; H219-F221 VanDerWaalsContact C-N 3.3Å; H219-F221 PolarHBondContact O-N 3.16Å; F221-N225 WeakPolarHBondContact O-CB 3.36Å; F221-N225 PolarHBondContact O-N 3.18Å; F221-N225 VanDerWaalsContact O-N 3.13Å; F221-N225 PolarHBondContact O-ND2 2.78Å; F221-L227 HydrophobicContact CD1-CD1 4.21Å; F221-L227 HydrophobicContact CE1-CD1 3.93Å; F221-I230 HydrophobicContact CD1-CD1 4.02Å
222V98.3Very high98.2Very high1 Ų134.5 Ų34.51%0.00618%0.179CC..Hα-helixtrans-62.7-46.7179.8166.90000110.9T218 H219 N225 G226 L227 I230 R248T218-V222 HydrophobicContact CG2-CG2 4.39Å; T218-V222 WeakPolarHBondContact O-CB 3.32Å; T218-V222 VanDerWaalsContact O-CG2 3.31Å; T218-V222 WeakPolarHBondContact O-CG2 3.49Å; T218-V222 PolarHBondContact O-N 2.9Å; H219-V222 PolarHBondContact O-N 3.38Å; V222-N225 PolarHBondContact O-N 3.46Å; V222-G226 PolarHBondContact O-N 2.73Å; V222-G226 VanDerWaalsContact O-N 3.11Å; V222-L227 HydrophobicContact CB-CB 4.44Å; V222-L227 HydrophobicContact CG1-CB 4.01Å; V222-L227 WeakPolarHBondContact CG1-O 3.48Å; V222-L227 PolarHBondContact O-N 3.23Å; V222-I230 HydrophobicContact CG2-CD1 3.68Å; V222-I230 HydrophobicContact CG2-CG1 3.99Å; V222-R248 HydrophobicContact CG2-CB 4.37Å
223E98.2Very high98.2Very high132 Ų13233.6 Ų33.662%0.61717%0.174SC*.Hα-helixtrans-64.8-47.6179.1-71.8174.6-172.700111.9H219 N225 G226H219-E223 WeakPolarHBondContact O-CB 3.32Å; H219-E223 WeakPolarHBondContact O-CG 3.22Å; H219-E223 PolarHBondContact O-N 2.99Å; E223-N225 VanDerWaalsContact C-N 3.26Å; E223-N225 PolarHBondContact O-N 3.15Å; E223-G226 PolarHBondContact O-N 3.23Å; E223-G226 VanDerWaalsContact O-N 3.14Å
224L98.3Very high98.2Very high109 Ų10934 Ų3457%0.57118%0.176SC*.Hα-helixtrans-60.8-35.9-179179.860.7000112.4K168 T169 E220K168-L224 HydrophobicContact CB-CD2 4.01Å; K168-L224 WeakPolarHBondContact O-CD2 3.32Å; T169-L224 HydrophobicContact CG2-CD2 4.15Å; T169-L224 HydrophobicContact CG2-CG 4.47Å; E220-L224 WeakPolarHBondContact O-CB 3.32Å; E220-L224 PolarHBondContact O-N 3.2Å
225N98.4Very high98.1Very high32 Ų3236.3 Ų36.317%0.17119%0.187CC..THydrogen-bonded Turntrans-94.24.5-179-67.7-79.4000113.5K168 T169 L170 F221 V222 E223 L227K168-N225 PolarHBondContact O-ND2 3.47Å; T169-N225 WeakPolarHBondContact CA-OD1 3.29Å; L170-N225 HydrophobicContact CD1-CB 4.37Å; L170-N225 HydrophobicContact CG-CB 4.12Å; L170-N225 PolarHBondContact N-OD1 2.92Å; F221-N225 WeakPolarHBondContact O-CB 3.36Å; F221-N225 PolarHBondContact O-N 3.18Å; F221-N225 VanDerWaalsContact O-N 3.13Å; F221-N225 PolarHBondContact O-ND2 2.78Å; V222-N225 PolarHBondContact O-N 3.46Å; E223-N225 VanDerWaalsContact C-N 3.26Å; E223-N225 PolarHBondContact O-N 3.15Å; N225-L227 HydrophobicContact CB-CD1 3.95Å; N225-L227 HydrophobicContact CB-CG 3.84Å; N225-L227 PolarHBondContact O-N 3.35Å
226G98Very high98.1Very high36 Ų3637.3 Ų37.337%0.37119%0.189SC..THydrogen-bonded Turntrans61.728.8179.500000114.1K155 V222 E223K155-G226 WeakPolarHBondContact CD-O 3.06Å; K155-G226 PolarHBondContact NZ-O 3.26Å; V222-G226 PolarHBondContact O-N 2.73Å; V222-G226 VanDerWaalsContact O-N 3.11Å; E223-G226 PolarHBondContact O-N 3.23Å; E223-G226 VanDerWaalsContact O-N 3.14Å
227L98.4Very high98.1Very high10 Ų1032.6 Ų32.65%0.05217%0.17CC..  trans-84.3162-179.6-61.4174.6000111.2L151 K155 L157 L170 F221 V222 N225 I230L151-L227 HydrophobicContact CD1-CD2 3.6Å; K155-L227 CarbonylContact O-C 3.4Å; K155-L227 WeakPolarHBondContact O-CA 3.42Å; L157-L227 HydrophobicContact CB-CD1 3.8Å; L157-L227 HydrophobicContact CB-CD2 4.43Å; L157-L227 HydrophobicContact CD2-CD1 4.31Å; L170-L227 HydrophobicContact CD1-CD2 4.27Å; F221-L227 HydrophobicContact CD1-CD1 4.21Å; F221-L227 HydrophobicContact CE1-CD1 3.93Å; V222-L227 HydrophobicContact CB-CB 4.44Å; V222-L227 HydrophobicContact CG1-CB 4.01Å; V222-L227 WeakPolarHBondContact CG1-O 3.48Å; V222-L227 PolarHBondContact O-N 3.23Å; N225-L227 HydrophobicContact CB-CD1 3.95Å; N225-L227 HydrophobicContact CB-CG 3.84Å; N225-L227 PolarHBondContact O-N 3.35Å; L227-I230 HydrophobicContact CD1-CG1 4.43Å
228E98Very high98.1Very high70 Ų7037.3 Ų37.333%0.32719%0.191SC..SBendtrans-95.4-45.4168.8-170.556.7-139.700111K155 R248 P274 T275K155-E228 HydrophobicContact CB-CB 4.42Å; K155-E228 PolarHBondContact O-N 3.05Å; E228-R248 VanDerWaalsContact O-CD 3.26Å; E228-R248 WeakPolarHBondContact O-CD 3.44Å; E228-R248 PolarHBondContact O-NH1 2.91Å; E228-R248 IonicContact OE1-NH1 3.61Å; E228-R248 PolarHBondContact OE1-NH1 2.91Å; E228-R248 IonicContact OE2-NH1 3.48Å; E228-P274 HydrophobicContact CB-CB 4.41Å; E228-T275 HydrophobicContact CG-CG2 3.72Å
229S97.9Very high98Very high5 Ų543.5 Ų43.54%0.03522%0.22CC..EExtended strand (participates in β ladder)trans-154.9164.2-179.156.20000112.1V156 L157 R248V156-S229 WeakPolarHBondContact CA-O 3.49Å; L157-S229 PolarHBondContact N-O 3.2Å; L157-S229 VanDerWaalsContact N-O 3.12Å; S229-R248 CarbonylContact C-O 3.6Å; S229-R248 WeakPolarHBondContact CA-O 3.47Å
230I98.7Very high98Very high0 Ų041.6 Ų41.60%021%0.211CC..EExtended strand (participates in β ladder)trans-113124169.8-61.7155.5000107.9L157 V159 L163 T218 F221 V222 L227 R248 L249 I250L157-I230 HydrophobicContact CB-CG1 4.22Å; L157-I230 HydrophobicContact CD2-CG1 4.23Å; L157-I230 HydrophobicContact CD2-CG2 4.48Å; L157-I230 CarbonylContact O-C 3.57Å; L157-I230 WeakPolarHBondContact O-CA 3.48Å; V159-I230 HydrophobicContact CG2-CG2 4.14Å; L163-I230 HydrophobicContact CD1-CD1 4.19Å; L163-I230 HydrophobicContact CD2-CD1 3.97Å; L163-I230 HydrophobicContact CG-CD1 4.41Å; T218-I230 HydrophobicContact CG2-CD1 4.09Å; F221-I230 HydrophobicContact CD1-CD1 4.02Å; V222-I230 HydrophobicContact CG2-CD1 3.68Å; V222-I230 HydrophobicContact CG2-CG1 3.99Å; L227-I230 HydrophobicContact CD1-CG1 4.43Å; I230-R248 PolarHBondContact N-O 3.47Å; I230-L249 HydrophobicContact CB-CD1 3.72Å; I230-L249 HydrophobicContact CG2-CD1 3.69Å; I230-L249 CarbonylContact O-C 3.27Å; I230-L249 WeakPolarHBondContact O-CA 3.26Å; I230-I250 PolarHBondContact O-N 3.36Å
231C98.7Very high98.1Very high0 Ų040.7 Ų40.70%020%0.204CC..EExtended strand (participates in β ladder)trans-94.1133.7168-69.40000109.6I47 M76 V156 L157 C158 V159 I250 I252I47-C231 HydrophobicContact CD1-CB 4.17Å; I47-C231 HydrophobicContact CG2-CB 4.36Å; M76-C231 HydrophobicContact SD-CB 4.2Å; V156-C231 HydrophobicContact CG1-CB 4.44Å; L157-C231 PolarHBondContact O-N 3.15Å; C158-C231 WeakPolarHBondContact CA-O 3.47Å; V159-C231 PolarHBondContact N-O 2.71Å; C231-I250 CarbonylContact C-O 3.51Å; C231-I250 WeakPolarHBondContact CA-O 3.48Å; C231-I252 HydrophobicContact CB-CD1 4.3Å
232R98.7Very high98Very high0 Ų045.4 Ų45.40%022%0.224CC..EExtended strand (participates in β ladder)trans-140.3172.7176.266.3145-69.8163.8-22.3113.6M76 V159 G161 S194 D195 L249 I250 T251 I252M76-R232 VanDerWaalsContact CE-C 3.5Å; M76-R232 VanDerWaalsContact CE-O 3.31Å; M76-R232 WeakPolarHBondContact CE-O 3.3Å; V159-R232 HydrophobicContact CG2-CB 4.29Å; V159-R232 VanDerWaalsContact O-CA 3.27Å; V159-R232 WeakPolarHBondContact O-CA 3.34Å; G161-R232 VanDerWaalsContact O-CB 3.25Å; G161-R232 WeakPolarHBondContact O-CB 3.47Å; G161-R232 WeakPolarHBondContact O-CD 3.32Å; G161-R232 PolarHBondContact O-NE 2.86Å; G161-R232 PolarHBondContact O-NH1 3.25Å; S194-R232 PolarHBondContact O-NH1 2.85Å; D195-R232 IonicContact OD1-CZ 3.69Å; D195-R232 IonicContact OD1-NH1 3.72Å; D195-R232 PolarHBondContact OD1-NH1 3.06Å; D195-R232 IonicContact OD1-NH2 3.69Å; D195-R232 PolarHBondContact OD1-NH2 3.4Å; R232-L249 HydrophobicContact CG-CD1 4.13Å; R232-L249 HydrophobicContact CG-CG 4.46Å; R232-I250 PolarHBondContact N-O 3.19Å; R232-T251 CarbonylContact O-C 3.56Å; R232-T251 WeakPolarHBondContact O-CA 3.41Å; R232-I252 PolarHBondContact O-N 3.45Å
233A98.6Very high98Very high0 Ų048.2 Ų48.20%024%0.244CC..  trans-123.8-134.6-175.800000110.9D50 M76 H160 Q235 I252D50-A233 WeakPolarHBondContact OD1-CB 3.12Å; M76-A233 HydrophobicContact CB-CB 3.87Å; M76-A233 HydrophobicContact CE-CB 3.92Å; H160-A233 CarbonylContact O-C 3.19Å; H160-A233 WeakPolarHBondContact O-CA 3.23Å; H160-A233 PolarHBondContact O-N 3.49Å; A233-Q235 PolarHBondContact O-N 2.89Å; A233-I252 WeakPolarHBondContact CA-O 3.33Å
234H98.2Very high97.9Very high8 Ų843 Ų434%0.03722%0.219CC..SBendtrans65.2-16.9157.9-171.474.1000119.2D50 N110 H160 D195 R207D50-H234 PolarHBondContact OD1-N 3.45Å; D50-H234 WeakPolarHBondContact OD2-CA 3.46Å; D50-H234 PolarHBondContact OD2-N 3.29Å; N110-H234 PolarHBondContact OD1-CE1 2.69Å; N110-H234 PolarHBondContact OD1-ND1 3.1Å; H160-H234 AromaticContact CD2-ND1 3.83Å; H160-H234 AromaticContact CE1-ND1 3.8Å; H160-H234 WeakPolarHBondContact NE2-CB 3.13Å; H160-H234 AromaticContact NE2-CG 3.54Å; H160-H234 AromaticContact NE2-ND1 3.01Å; H160-H234 PolarHBondContact NE2-ND1 2.87Å; D195-H234 IonicContact OD1-CD2 2.81Å; D195-H234 PolarHBondContact OD1-CD2 2.91Å; D195-H234 VanDerWaalsContact OD1-CD2 3.27Å; R207-H234 PolarHBondContact NE-NE2 2.85Å; R207-H234 PolarHBondContact NH1-CE1 2.99Å; R207-H234 PolarHBondContact NH1-NE2 3.35Å; R207-H234 PolarHBondContact NH2-CD2 3.3Å; R207-H234 PolarHBondContact NH2-NE2 2.89Å; R207-H234 PolarHBondContact NH2-O 2.9Å
235Q97.2Very high97.9Very high50 Ų5038.8 Ų38.823%0.23420%0.197CC..SBendtrans-118.7124.4174.5-93.3176.6-28.700108.6D195 P196 A233 V237 T251 W253D195-Q235 VanDerWaalsContact CG-CD 3.47Å; D195-Q235 VanDerWaalsContact CG-NE2 3.31Å; D195-Q235 VanDerWaalsContact OD1-CG 3.28Å; D195-Q235 WeakPolarHBondContact OD1-CG 3.27Å; D195-Q235 PolarHBondContact OD2-NE2 2.98Å; P196-Q235 VanDerWaalsContact CG-OE1 3.22Å; P196-Q235 PolarHBondContact O-NE2 3.33Å; A233-Q235 PolarHBondContact O-N 2.89Å; Q235-V237 PolarHBondContact O-N 2.94Å; Q235-T251 HydrophobicContact CB-CG2 4.16Å; Q235-W253 VanDerWaalsContact C-CE3 3.49Å; Q235-W253 VanDerWaalsContact O-CE3 3.25Å
236L97.3Very high97.7Very high66 Ų6644.3 Ų44.335%0.34623%0.226SC..  trans-58.6124.7176.1176.363.8000110.1W253 C262 N264L236-W253 HydrophobicContact CB-CE3 4.48Å; L236-W253 HydrophobicContact CB-CH2 4.45Å; L236-W253 HydrophobicContact CB-CZ2 4.5Å; L236-W253 HydrophobicContact CB-CZ3 4.43Å; L236-W253 HydrophobicContact CD1-CD2 3.89Å; L236-W253 HydrophobicContact CD1-CG 4.08Å; L236-W253 HydrophobicContact CD1-CZ2 3.98Å; L236-C262 HydrophobicContact CD2-CB 4.31Å; L236-N264 HydrophobicContact CD1-CB 4.08Å
237V97.4Very high97.6Very high9 Ų944.2 Ų44.26%0.05523%0.225CC..  trans-116118.3170.6-1770000108.6Q235 E239 G240 K242 T251 W253Q235-V237 PolarHBondContact O-N 2.94Å; V237-E239 HydrophobicContact CG1-CB 4.45Å; V237-E239 PolarHBondContact O-N 3.33Å; V237-G240 PolarHBondContact O-N 3.2Å; V237-K242 HydrophobicContact CG1-CB 3.89Å; V237-K242 HydrophobicContact CG2-CB 4.07Å; V237-T251 HydrophobicContact CG2-CG2 3.69Å; V237-W253 HydrophobicContact CB-CB 4.36Å
238H97.2Very high97.5Very high107 Ų10746.7 Ų46.750%0.49523%0.234SC..THydrogen-bonded Turntrans-62.2-33.8-175.7-85.1-79.2000112.7G240 I265H238-G240 VanDerWaalsContact C-N 3.27Å; H238-G240 PolarHBondContact O-N 3.43Å; H238-I265 PolarHBondContact O-N 2.76Å
239E97.5Very high97.5Very high130 Ų13043.3 Ų43.361%0.60722%0.218SC*.THydrogen-bonded Turntrans-85.33.4179.2-57.175.5-165.500113V237 Y241V237-E239 HydrophobicContact CG1-CB 4.45Å; V237-E239 PolarHBondContact O-N 3.33Å; E239-Y241 VanDerWaalsContact C-N 3.27Å; E239-Y241 PolarHBondContact O-N 3.04Å
240G97.7Very high97.6Very high0 Ų043.2 Ų43.20%022%0.217CC..SBendtrans85.2-31-179.500000114.7V237 H238 W253 I265 A267V237-G240 PolarHBondContact O-N 3.2Å; H238-G240 VanDerWaalsContact C-N 3.27Å; H238-G240 PolarHBondContact O-N 3.43Å; G240-W253 PolarHBondContact O-N 3.35Å; G240-I265 WeakPolarHBondContact CA-O 3.47Å; G240-I265 PolarHBondContact N-O 3.02Å; G240-A267 WeakPolarHBondContact O-CB 3.48Å
241Y98.2Very high97.6Very high78 Ų7843.3 Ų43.331%0.30622%0.218SC..EExtended strand (participates in β ladder)trans-152.4154.1171.179.8-73.3000112.7E239 I250 T251 A267 L269 F277 A279 L281E239-Y241 VanDerWaalsContact C-N 3.27Å; E239-Y241 PolarHBondContact O-N 3.04Å; Y241-I250 HydrophobicContact CD2-CG2 4.34Å; Y241-T251 CarbonylContact C-O 3.5Å; Y241-T251 WeakPolarHBondContact CA-O 3.22Å; Y241-T251 WeakPolarHBondContact CB-O 3.48Å; Y241-A267 HydrophobicContact CD1-CB 4.11Å; Y241-L269 HydrophobicContact CD1-CD2 4.5Å; Y241-L269 HydrophobicContact CD2-CD2 4.23Å; Y241-L269 HydrophobicContact CG-CD2 4.11Å; Y241-F277 HydrophobicContact CD2-CE2 4.38Å; Y241-F277 AromaticContact CE2-CE2 3.93Å; Y241-F277 HydrophobicContact CE2-CE2 3.93Å; Y241-F277 HydrophobicContact CE2-CZ 4.24Å; Y241-A279 HydrophobicContact CD1-CB 3.94Å; Y241-A279 HydrophobicContact CE1-CB 3.47Å; Y241-A279 VanDerWaalsContact CE1-CB 3.47Å; Y241-A279 HydrophobicContact CE2-CB 4.42Å; Y241-L281 HydrophobicContact CD1-CD2 4.06Å; Y241-L281 HydrophobicContact CE1-CD2 4.21Å
242K97.9Very high97.6Very high110 Ų11043.3 Ų43.348%0.47822%0.218SC..EExtended strand (participates in β ladder)trans-139125.3179.9-173.9179.9-179.6-174.50110.5V237 M244 I250 T251V237-K242 HydrophobicContact CG1-CB 3.89Å; V237-K242 HydrophobicContact CG2-CB 4.07Å; K242-M244 HydrophobicContact CD-CG 4.05Å; K242-M244 HydrophobicContact CD-SD 4.11Å; K242-M244 HydrophobicContact CG-CG 3.97Å; K242-I250 WeakPolarHBondContact O-CA 3.28Å; K242-T251 PolarHBondContact N-O 3.17Å; K242-T251 PolarHBondContact O-N 3.34Å
243C97.6Very high97.6Very high61 Ų6143.6 Ų43.641%0.41222%0.219SC..EExtended strand (participates in β ladder)trans-87.4131.2168.6-61.40000109.2L249C243-L249 CarbonylContact C-O 3.49Å
244M96.8Very high97.5Very high22 Ų2243.7 Ų43.711%0.10822%0.219CC..EExtended strand (participates in β ladder)trans-128161.2-178.9-62.9-179.667.500109.7P196 K242 D246 G247 R248 L249P196-M244 HydrophobicContact CB-CE 3.92Å; P196-M244 HydrophobicContact CB-SD 4.17Å; P196-M244 HydrophobicContact CG-CE 4.23Å; P196-M244 HydrophobicContact CG-SD 3.94Å; K242-M244 HydrophobicContact CD-CG 4.05Å; K242-M244 HydrophobicContact CD-SD 4.11Å; K242-M244 HydrophobicContact CG-CG 3.97Å; M244-D246 PolarHBondContact O-N 3.49Å; M244-G247 PolarHBondContact O-N 3.43Å; M244-G247 VanDerWaalsContact O-N 3.12Å; M244-R248 PolarHBondContact O-N 3.01Å; M244-L249 HydrophobicContact CB-CB 4.33Å; M244-L249 HydrophobicContact CB-CD2 4.41Å; M244-L249 PolarHBondContact N-O 2.77Å; M244-L249 PolarHBondContact O-N 2.86Å
245F96.8Very high97.5Very high21 Ų2143.3 Ų43.39%0.09222%0.218CC..THydrogen-bonded Turntrans51.959.7171.7-47-33.3000112.1P196 F213 P215 T218 G247 R248 L249P196-F245 HydrophobicContact CB-CE2 3.72Å; P196-F245 HydrophobicContact CB-CZ 3.9Å; F213-F245 HydrophobicContact CD2-CE2 4.41Å; F213-F245 HydrophobicContact CE2-CE2 4.3Å; P215-F245 HydrophobicContact CB-CB 4.03Å; P215-F245 HydrophobicContact CB-CD1 3.52Å; P215-F245 HydrophobicContact CB-CE1 4.08Å; P215-F245 HydrophobicContact CB-CG 3.78Å; P215-F245 HydrophobicContact CG-CD1 4.1Å; P215-F245 HydrophobicContact CG-CE1 4.23Å; T218-F245 HydrophobicContact CG2-CD2 4.02Å; T218-F245 WeakPolarHBondContact OG1-CD2 3.32Å; F245-G247 PolarHBondContact O-N 3.31Å; F245-R248 VanDerWaalsContact O-CB 3.22Å; F245-R248 WeakPolarHBondContact O-CB 3.13Å; F245-R248 VanDerWaalsContact O-CG 3.32Å; F245-R248 WeakPolarHBondContact O-CG 3.1Å; F245-R248 PolarHBondContact O-N 2.97Å; F245-L249 HydrophobicContact CD2-CB 4.04Å; F245-L249 HydrophobicContact CD2-CD2 3.95Å; F245-L249 HydrophobicContact CE2-CD2 3.82Å
246D95.4Very high97.5Very high147 Ų14741 Ų4179%0.78621%0.207SC*.THydrogen-bonded Turntrans56.831.8-179.6-52.4-44.7000114.5H219 M244 R248H219-D246 IonicContact CE1-OD2 3.74Å; H219-D246 IonicContact NE2-OD2 2.69Å; H219-D246 PolarHBondContact NE2-OD2 3.26Å; M244-D246 PolarHBondContact O-N 3.49Å; D246-R248 VanDerWaalsContact C-N 3.26Å; D246-R248 PolarHBondContact O-N 3.43Å
247G94.9Very high97.4Very high35 Ų3539.7 Ų39.736%0.36120%0.201SC..THydrogen-bonded Turntrans79.65-179.200000114.1M244 F245 L249M244-G247 PolarHBondContact O-N 3.43Å; M244-G247 VanDerWaalsContact O-N 3.12Å; F245-G247 PolarHBondContact O-N 3.31Å; G247-L249 VanDerWaalsContact C-N 3.3Å
248R97.3Very high97.3Very high61 Ų6140.6 Ų40.623%0.2320%0.203CC..THydrogen-bonded Turntrans-76-17.2176.7-60.9-52.7-160.7169.2-2.1113.4T218 V222 E228 S229 I230 M244 F245 D246T218-R248 HydrophobicContact CG2-CB 4.24Å; V222-R248 HydrophobicContact CG2-CB 4.37Å; E228-R248 VanDerWaalsContact O-CD 3.26Å; E228-R248 WeakPolarHBondContact O-CD 3.44Å; E228-R248 PolarHBondContact O-NH1 2.91Å; E228-R248 IonicContact OE1-NH1 3.61Å; E228-R248 PolarHBondContact OE1-NH1 2.91Å; E228-R248 IonicContact OE2-NH1 3.48Å; S229-R248 CarbonylContact C-O 3.6Å; S229-R248 WeakPolarHBondContact CA-O 3.47Å; I230-R248 PolarHBondContact N-O 3.47Å; M244-R248 PolarHBondContact O-N 3.01Å; F245-R248 VanDerWaalsContact O-CB 3.22Å; F245-R248 WeakPolarHBondContact O-CB 3.13Å; F245-R248 VanDerWaalsContact O-CG 3.32Å; F245-R248 WeakPolarHBondContact O-CG 3.1Å; F245-R248 PolarHBondContact O-N 2.97Å; D246-R248 VanDerWaalsContact C-N 3.26Å; D246-R248 PolarHBondContact O-N 3.43Å
249L98.3Very high97Very high0 Ų036 Ų360%018%0.183CC..EExtended strand (participates in β ladder)trans-130.3133.7175.1-172.576.6000110.1P196 F213 T218 I230 R232 C243 M244 F245 G247P196-L249 HydrophobicContact CB-CD2 3.31Å; P196-L249 HydrophobicContact CG-CD2 3.56Å; F213-L249 HydrophobicContact CE2-CD1 4.43Å; F213-L249 HydrophobicContact CE2-CD2 3.92Å; F213-L249 HydrophobicContact CZ-CD1 4.47Å; F213-L249 HydrophobicContact CZ-CD2 4.13Å; T218-L249 HydrophobicContact CG2-CB 4.19Å; I230-L249 HydrophobicContact CB-CD1 3.72Å; I230-L249 HydrophobicContact CG2-CD1 3.69Å; I230-L249 CarbonylContact O-C 3.27Å; I230-L249 WeakPolarHBondContact O-CA 3.26Å; R232-L249 HydrophobicContact CG-CD1 4.13Å; R232-L249 HydrophobicContact CG-CG 4.46Å; C243-L249 CarbonylContact C-O 3.49Å; M244-L249 HydrophobicContact CB-CB 4.33Å; M244-L249 HydrophobicContact CB-CD2 4.41Å; M244-L249 PolarHBondContact N-O 2.77Å; M244-L249 PolarHBondContact O-N 2.86Å; F245-L249 HydrophobicContact CD2-CB 4.04Å; F245-L249 HydrophobicContact CD2-CD2 3.95Å; F245-L249 HydrophobicContact CE2-CD2 3.82Å; G247-L249 VanDerWaalsContact C-N 3.3Å
250I98.5Very high96.6Very high2 Ų231.6 Ų31.61%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-128.3116.5179.3-50.2166.2000108.5I230 C231 R232 Y241 K242 I252 L269 F271 F277I230-I250 PolarHBondContact O-N 3.36Å; C231-I250 CarbonylContact C-O 3.51Å; C231-I250 WeakPolarHBondContact CA-O 3.48Å; R232-I250 PolarHBondContact N-O 3.19Å; Y241-I250 HydrophobicContact CD2-CG2 4.34Å; K242-I250 WeakPolarHBondContact O-CA 3.28Å; I250-I252 HydrophobicContact CG2-CG1 4.34Å; I250-L269 HydrophobicContact CG2-CD1 3.45Å; I250-L269 VanDerWaalsContact CG2-CD1 3.45Å; I250-F271 HydrophobicContact CD1-CZ 4.02Å; I250-F277 HydrophobicContact CD1-CD1 3.98Å; I250-F277 HydrophobicContact CD1-CE1 3.5Å; I250-F277 VanDerWaalsContact CD1-CE1 3.5Å; I250-F277 HydrophobicContact CD1-CZ 4.06Å
251T98.6Very high96.3Very high2 Ų239.4 Ų39.41%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-93.5128.4173.9-56.80000109.3R232 Q235 V237 Y241 K242R232-T251 CarbonylContact O-C 3.56Å; R232-T251 WeakPolarHBondContact O-CA 3.41Å; Q235-T251 HydrophobicContact CB-CG2 4.16Å; V237-T251 HydrophobicContact CG2-CG2 3.69Å; Y241-T251 CarbonylContact C-O 3.5Å; Y241-T251 WeakPolarHBondContact CA-O 3.22Å; Y241-T251 WeakPolarHBondContact CB-O 3.48Å; K242-T251 PolarHBondContact N-O 3.17Å; K242-T251 PolarHBondContact O-N 3.34Å
252I98.7Very high96Very high0 Ų037.9 Ų37.90%019%0.191CC..EExtended strand (participates in β ladder)trans-119.6132.5-177-47.4174.1000108.7I47 M76 C231 R232 A233 I250 L269I47-I252 HydrophobicContact CB-CD1 3.96Å; I47-I252 HydrophobicContact CG2-CD1 3.65Å; M76-I252 HydrophobicContact CE-CB 3.9Å; M76-I252 HydrophobicContact CE-CD1 3.73Å; M76-I252 HydrophobicContact CE-CG1 4.08Å; C231-I252 HydrophobicContact CB-CD1 4.3Å; R232-I252 PolarHBondContact O-N 3.45Å; A233-I252 WeakPolarHBondContact CA-O 3.33Å; I250-I252 HydrophobicContact CG2-CG1 4.34Å; I252-L269 HydrophobicContact CD1-CB 4.02Å; I252-L269 HydrophobicContact CD1-CD1 3.53Å; I252-L269 HydrophobicContact CD1-CG 3.63Å; I252-L269 HydrophobicContact CG1-CD1 3.64Å; I252-L269 HydrophobicContact CG1-CG 3.9Å; I252-L269 HydrophobicContact CG2-CG 4.4Å
253W98.5Very high95.8Very high6 Ų635.5 Ų35.52%0.02320%0.197CC..BIsolated β-bridgetrans-123119.4175.9-168.2-92.5000110.1D50 Q235 L236 V237 G240 A255 Y258 N264 A266 A267D50-W253 HydrophobicContact CB-CE3 4.2Å; D50-W253 HydrophobicContact CB-CH2 4.02Å; D50-W253 HydrophobicContact CB-CZ2 4.37Å; D50-W253 HydrophobicContact CB-CZ3 3.94Å; D50-W253 VanDerWaalsContact OD2-CH2 3.31Å; D50-W253 WeakPolarHBondContact OD2-CH2 3.34Å; D50-W253 WeakPolarHBondContact OD2-CZ3 3.43Å; Q235-W253 VanDerWaalsContact C-CE3 3.49Å; Q235-W253 VanDerWaalsContact O-CE3 3.25Å; L236-W253 HydrophobicContact CB-CE3 4.48Å; L236-W253 HydrophobicContact CB-CH2 4.45Å; L236-W253 HydrophobicContact CB-CZ2 4.5Å; L236-W253 HydrophobicContact CB-CZ3 4.43Å; L236-W253 HydrophobicContact CD1-CD2 3.89Å; L236-W253 HydrophobicContact CD1-CG 4.08Å; L236-W253 HydrophobicContact CD1-CZ2 3.98Å; V237-W253 HydrophobicContact CB-CB 4.36Å; G240-W253 PolarHBondContact O-N 3.35Å; W253-A255 VanDerWaalsContact CD1-O 3.22Å; W253-A255 HydrophobicContact CZ2-CB 4.44Å; W253-A255 PolarHBondContact NE1-O 3.1Å; W253-Y258 HydrophobicContact CH2-CD1 4.46Å; W253-Y258 HydrophobicContact CH2-CE1 4.29Å; W253-Y258 HydrophobicContact CH2-CE2 4.43Å; W253-Y258 AromaticContact CZ2-CD1 3.79Å; W253-Y258 HydrophobicContact CZ2-CD1 3.79Å; W253-Y258 AromaticContact CZ2-CD2 3.67Å; W253-Y258 HydrophobicContact CZ2-CD2 3.67Å; W253-Y258 HydrophobicContact CZ2-CE1 4.02Å; W253-Y258 AromaticContact CZ2-CE2 3.91Å; W253-Y258 HydrophobicContact CZ2-CE2 3.91Å; W253-Y258 AromaticContact CZ2-CG 3.6Å; W253-Y258 HydrophobicContact CZ2-CG 3.6Å; W253-N264 PolarHBondContact NE1-ND2 3.26Å; W253-A266 CarbonylContact O-C 3.53Å; W253-A266 VanDerWaalsContact O-CA 3.32Å; W253-A266 WeakPolarHBondContact O-CA 3.24Å; W253-A267 PolarHBondContact O-N 3.37Å
254S98.5Very high95.8Very high2 Ų232.9 Ų32.91%0.01418%0.18CC..  trans-109.88.1-172.2-65.50000114.3G49 D50 P256 A267 F282G49-S254 PolarHBondContact N-OG 3.28Å; D50-S254 CarbonylContact O-C 3.54Å; D50-S254 WeakPolarHBondContact O-CA 3.42Å; D50-S254 WeakPolarHBondContact O-CB 3.14Å; D50-S254 PolarHBondContact O-N 3.21Å; S254-P256 WeakPolarHBondContact O-CD 3.37Å; S254-A267 PolarHBondContact OG-O 3.46Å; S254-F282 WeakPolarHBondContact O-CZ 3.46Å
255A97.6Very high95.9Very high1 Ų134.8 Ų34.81%0.00819%0.19CC..  trans-109.495.3179.300000111.2D50 W253 Y258 N264D50-A255 WeakPolarHBondContact O-CB 3.44Å; D50-A255 PolarHBondContact O-N 3.43Å; D50-A255 VanDerWaalsContact O-N 3.12Å; W253-A255 VanDerWaalsContact CD1-O 3.22Å; W253-A255 HydrophobicContact CZ2-CB 4.44Å; W253-A255 PolarHBondContact NE1-O 3.1Å; A255-Y258 HydrophobicContact CB-CD2 4.36Å; A255-N264 PolarHBondContact O-ND2 3.4Å
256P97.1Very high95.9Very high0 Ų033.8 Ų33.80%019%0.185CC..THydrogen-bonded Turntrans-75.5149.8-175.831.6-35.2000111Q54 D57 S254 Y258 A266 F282 A284Q54-P256 PolarHBondContact NE2-O 3.14Å; D57-P256 HydrophobicContact CB-CG 3.72Å; S254-P256 WeakPolarHBondContact O-CD 3.37Å; P256-Y258 VanDerWaalsContact C-N 3.26Å; P256-Y258 PolarHBondContact O-N 2.94Å; P256-A266 HydrophobicContact CB-CB 3.64Å; P256-A266 HydrophobicContact CG-CB 3.98Å; P256-F282 HydrophobicContact CG-CD2 4.19Å; P256-F282 HydrophobicContact CG-CE2 3.9Å; P256-A284 HydrophobicContact CB-CB 4.02Å; P256-A284 HydrophobicContact CG-CB 4.08Å
257N95.6Very high96.1Very high40 Ų4026.8 Ų26.821%0.21415%0.148CC..THydrogen-bonded Turntrans42.157.6-170.8-173.927.6000110.9Y260 R261 C262 G263 N264 A284N257-Y260 VanDerWaalsContact ND2-C 3.31Å; N257-Y260 PolarHBondContact ND2-O 3.39Å; N257-Y260 WeakPolarHBondContact O-CA 3.5Å; N257-Y260 PolarHBondContact O-N 2.93Å; N257-R261 WeakPolarHBondContact OD1-CA 3.46Å; N257-R261 PolarHBondContact OD1-N 3.48Å; N257-R261 VanDerWaalsContact OD1-N 3.09Å; N257-C262 PolarHBondContact OD1-N 3.08Å; N257-G263 PolarHBondContact OD1-N 3.4Å; N257-N264 PolarHBondContact N-O 3.15Å; N257-N264 PolarHBondContact N-OD1 3.37Å; N257-A284 HydrophobicContact CB-CB 3.67Å
258Y94.7Very high96.2Very high27 Ų2725.1 Ų25.111%0.10613%0.131CC..G310 helixtrans-50.1139.6-172.6175.5-128.5000112H52 R82 W253 A255 P256 Y260 R261 C262 N264H52-Y258 HydrophobicContact CB-CE2 3.93Å; H52-Y258 AromaticContact CD2-CE2 3.21Å; H52-Y258 WeakPolarHBondContact CD2-CE2 3.25Å; H52-Y258 AromaticContact CD2-CZ 3.74Å; H52-Y258 AromaticContact CG-CE2 3.72Å; H52-Y258 AromaticContact NE2-CE2 3.85Å; H52-Y258 AromaticContact NE2-CZ 3.88Å; H52-Y258 PolarHBondContact NE2-OH 3.4Å; R82-Y258 HydrophobicContact CB-CE2 3.91Å; R82-Y258 HydrophobicContact CG-CE2 4.49Å; R82-Y258 WeakPolarHBondContact CG-OH 3.41Å; W253-Y258 HydrophobicContact CH2-CD1 4.46Å; W253-Y258 HydrophobicContact CH2-CE1 4.29Å; W253-Y258 HydrophobicContact CH2-CE2 4.43Å; W253-Y258 AromaticContact CZ2-CD1 3.79Å; W253-Y258 HydrophobicContact CZ2-CD1 3.79Å; W253-Y258 AromaticContact CZ2-CD2 3.67Å; W253-Y258 HydrophobicContact CZ2-CD2 3.67Å; W253-Y258 HydrophobicContact CZ2-CE1 4.02Å; W253-Y258 AromaticContact CZ2-CE2 3.91Å; W253-Y258 HydrophobicContact CZ2-CE2 3.91Å; W253-Y258 AromaticContact CZ2-CG 3.6Å; W253-Y258 HydrophobicContact CZ2-CG 3.6Å; A255-Y258 HydrophobicContact CB-CD2 4.36Å; P256-Y258 VanDerWaalsContact C-N 3.26Å; P256-Y258 PolarHBondContact O-N 2.94Å; Y258-Y260 PolarHBondContact O-N 3.43Å; Y258-R261 PolarHBondContact O-N 2.94Å; Y258-R261 VanDerWaalsContact O-N 3.08Å; Y258-C262 WeakPolarHBondContact O-CB 3.43Å; Y258-C262 PolarHBondContact O-N 3.04Å; Y258-C262 PolarHBondContact O-SG 3.27Å; Y258-C262 VanDerWaalsContact O-SG 3.34Å; Y258-N264 WeakPolarHBondContact CB-OD1 3.46Å; Y258-N264 PolarHBondContact N-OD1 3.48Å
259C90.4Very high96.3Very high11 Ų1122.2 Ų22.27%0.07412%0.12CC..G310 helixtrans51.223.4-170.3-66.40000114R261 F301C259-R261 HydrophobicContact CB-CG 4.18Å; C259-R261 PolarHBondContact O-N 3.39Å; C259-F301 HydrophobicContact CB-CE1 4.39Å
260Y89.6Confident96.2Very high37 Ų3723.3 Ų23.315%0.14512%0.124CC..G310 helixtrans60.219.9-175.8-44.1-72.2000114.9Q54 Y84 N257 Y258 F301Q54-Y260 HydrophobicContact CG-CE1 4.14Å; Y84-Y260 HydrophobicContact CD1-CE2 4.44Å; Y84-Y260 AromaticContact CD2-CD2 3.85Å; Y84-Y260 HydrophobicContact CD2-CD2 3.85Å; Y84-Y260 HydrophobicContact CD2-CE1 4.22Å; Y84-Y260 AromaticContact CD2-CE2 3.14Å; Y84-Y260 HydrophobicContact CD2-CE2 3.14Å; Y84-Y260 AromaticContact CD2-CZ 3.36Å; Y84-Y260 WeakPolarHBondContact CD2-OH 3.45Å; Y84-Y260 HydrophobicContact CE1-CE2 4.45Å; Y84-Y260 HydrophobicContact CE2-CD1 4.45Å; Y84-Y260 AromaticContact CE2-CD2 3.3Å; Y84-Y260 HydrophobicContact CE2-CD2 3.3Å; Y84-Y260 HydrophobicContact CE2-CE1 4.34Å; Y84-Y260 AromaticContact CE2-CE2 3.13Å; Y84-Y260 HydrophobicContact CE2-CE2 3.13Å; Y84-Y260 AromaticContact CE2-CG 3.98Å; Y84-Y260 HydrophobicContact CE2-CG 3.98Å; Y84-Y260 AromaticContact CE2-CZ 3.7Å; Y84-Y260 AromaticContact CG-CE2 3.82Å; Y84-Y260 HydrophobicContact CG-CE2 3.82Å; Y84-Y260 AromaticContact CZ-CD2 3.79Å; Y84-Y260 AromaticContact CZ-CE2 3.83Å; Y84-Y260 PolarHBondContact N-OH 3.05Å; N257-Y260 VanDerWaalsContact ND2-C 3.31Å; N257-Y260 PolarHBondContact ND2-O 3.39Å; N257-Y260 WeakPolarHBondContact O-CA 3.5Å; N257-Y260 PolarHBondContact O-N 2.93Å; Y258-Y260 PolarHBondContact O-N 3.43Å; Y260-F301 HydrophobicContact CD2-CD1 4.23Å; Y260-F301 AromaticContact CD2-CE1 3.45Å; Y260-F301 HydrophobicContact CD2-CE1 3.45Å; Y260-F301 VanDerWaalsContact CD2-CE1 3.45Å; Y260-F301 AromaticContact CD2-CZ 3.71Å; Y260-F301 HydrophobicContact CD2-CZ 3.71Å; Y260-F301 AromaticContact CE2-CE1 3.68Å; Y260-F301 HydrophobicContact CE2-CE1 3.68Å; Y260-F301 HydrophobicContact CE2-CE2 4.2Å; Y260-F301 AromaticContact CE2-CZ 3.39Å; Y260-F301 HydrophobicContact CE2-CZ 3.39Å
261R90.9Very high96.1Very high164 Ų16423.2 Ų23.262%0.61912%0.124SC*.THydrogen-bonded Turntrans-144.1-16.8-17666.9-173.4-178.4-167.7-1.7116.3N257 Y258 C259 G263N257-R261 WeakPolarHBondContact OD1-CA 3.46Å; N257-R261 PolarHBondContact OD1-N 3.48Å; N257-R261 VanDerWaalsContact OD1-N 3.09Å; Y258-R261 PolarHBondContact O-N 2.94Å; Y258-R261 VanDerWaalsContact O-N 3.08Å; C259-R261 HydrophobicContact CB-CG 4.18Å; C259-R261 PolarHBondContact O-N 3.39Å; R261-G263 VanDerWaalsContact C-N 3.34Å; R261-G263 PolarHBondContact O-N 3.03Å
262C92.5Very high96Very high46 Ų4628.5 Ų28.531%0.31115%0.148SC..SBendtrans-76.8-17.3-174.5-69.90000114.3L236 N257 Y258 N264L236-C262 HydrophobicContact CD2-CB 4.31Å; N257-C262 PolarHBondContact OD1-N 3.08Å; Y258-C262 WeakPolarHBondContact O-CB 3.43Å; Y258-C262 PolarHBondContact O-N 3.04Å; Y258-C262 PolarHBondContact O-SG 3.27Å; Y258-C262 VanDerWaalsContact O-SG 3.34Å; C262-N264 PolarHBondContact O-N 2.86Å; C262-N264 VanDerWaalsContact O-N 3.11Å
263G94.3Very high95.8Very high60 Ų6030.1 Ų30.162%0.61916%0.16SC*.  trans65.99.2176.800000115.9N257 R261N257-G263 PolarHBondContact OD1-N 3.4Å; R261-G263 VanDerWaalsContact C-N 3.34Å; R261-G263 PolarHBondContact O-N 3.03Å
264N97.7Very high95.6Very high7 Ų731.6 Ų31.64%0.03717%0.17CC..  trans-71.8158.9176.965.5-73.8000112.5L236 W253 A255 N257 Y258 C262L236-N264 HydrophobicContact CD1-CB 4.08Å; W253-N264 PolarHBondContact NE1-ND2 3.26Å; A255-N264 PolarHBondContact O-ND2 3.4Å; N257-N264 PolarHBondContact N-O 3.15Å; N257-N264 PolarHBondContact N-OD1 3.37Å; Y258-N264 WeakPolarHBondContact CB-OD1 3.46Å; Y258-N264 PolarHBondContact N-OD1 3.48Å; C262-N264 PolarHBondContact O-N 2.86Å; C262-N264 VanDerWaalsContact O-N 3.11Å
265I97.3Very high95.3Very high62 Ų6236.4 Ų36.432%0.31820%0.2SC..  trans-87.2158.2167-60.9175.6000108.5H238 G240 L281 F282H238-I265 PolarHBondContact O-N 2.76Å; G240-I265 WeakPolarHBondContact CA-O 3.47Å; G240-I265 PolarHBondContact N-O 3.02Å; I265-L281 HydrophobicContact CG2-CB 4.13Å; I265-F282 WeakPolarHBondContact CG2-O 3.24Å
266A98.2Very high95Very high0 Ų042.7 Ų42.70%023%0.229CC..EExtended strand (participates in β ladder)trans-110.5154.4171.100000112W253 P256 L281 F282W253-A266 CarbonylContact O-C 3.53Å; W253-A266 VanDerWaalsContact O-CA 3.32Å; W253-A266 WeakPolarHBondContact O-CA 3.24Å; P256-A266 HydrophobicContact CB-CB 3.64Å; P256-A266 HydrophobicContact CG-CB 3.98Å; A266-L281 CarbonylContact O-C 3.48Å; A266-L281 WeakPolarHBondContact O-CA 3.48Å; A266-F282 HydrophobicContact CB-CD1 4.14Å; A266-F282 HydrophobicContact CB-CD2 4.14Å; A266-F282 HydrophobicContact CB-CE1 3.66Å; A266-F282 HydrophobicContact CB-CE2 3.67Å; A266-F282 HydrophobicContact CB-CG 4.36Å; A266-F282 HydrophobicContact CB-CZ 3.41Å; A266-F282 VanDerWaalsContact CB-CZ 3.41Å; A266-F282 PolarHBondContact N-O 3.21Å; A266-F282 PolarHBondContact O-N 2.89Å
267A98.4Very high94.9Very high0 Ų045.6 Ų45.60%024%0.242CC..EExtended strand (participates in β ladder)trans-131156.2174.500000111.5G240 Y241 W253 S254 K280 L281G240-A267 WeakPolarHBondContact O-CB 3.48Å; Y241-A267 HydrophobicContact CD1-CB 4.11Å; W253-A267 PolarHBondContact O-N 3.37Å; S254-A267 PolarHBondContact OG-O 3.46Å; A267-K280 WeakPolarHBondContact CA-O 3.35Å; A267-L281 HydrophobicContact CB-CD2 3.62Å
268I98.3Very high94.9Very high0 Ų047.5 Ų47.50%025%0.252CS..EExtended strand (participates in β ladder)trans-129.1148156.654.5-175.2000108T46 C48 L61 R64 K280 F282T46-I268 HydrophobicContact CG2-CB 3.93Å; T46-I268 HydrophobicContact CG2-CD1 3.87Å; T46-I268 HydrophobicContact CG2-CG1 4.19Å; T46-I268 HydrophobicContact CG2-CG2 4.48Å; C48-I268 HydrophobicContact CB-CG2 4.23Å; L61-I268 HydrophobicContact CD1-CG2 3.58Å; L61-I268 HydrophobicContact CD2-CD1 4.42Å; L61-I268 HydrophobicContact CD2-CG2 4.11Å; L61-I268 HydrophobicContact CG-CD1 4.26Å; L61-I268 HydrophobicContact CG-CG2 3.52Å; R64-I268 HydrophobicContact CB-CD1 4.16Å; I268-K280 HydrophobicContact CD1-CB 4.24Å; I268-K280 HydrophobicContact CG1-CB 3.74Å; I268-K280 HydrophobicContact CG1-CG 4.37Å; I268-K280 PolarHBondContact N-O 3.11Å; I268-K280 VanDerWaalsContact N-O 3.11Å; I268-K280 PolarHBondContact O-N 2.95Å; I268-F282 HydrophobicContact CG2-CE1 4.28Å
269L98.1Very high95.1Very high0 Ų047.3 Ų47.30%026%0.256CS..EExtended strand (participates in β ladder)trans-108.6124.4-179.6-57.5-169.5000110.6T46 I47 Y241 I250 I252 F271 F277 A279T46-L269 WeakPolarHBondContact CA-O 3.48Å; I47-L269 PolarHBondContact N-O 3.34Å; I47-L269 PolarHBondContact O-N 3.1Å; I47-L269 VanDerWaalsContact O-N 3.07Å; Y241-L269 HydrophobicContact CD1-CD2 4.5Å; Y241-L269 HydrophobicContact CD2-CD2 4.23Å; Y241-L269 HydrophobicContact CG-CD2 4.11Å; I250-L269 HydrophobicContact CG2-CD1 3.45Å; I250-L269 VanDerWaalsContact CG2-CD1 3.45Å; I252-L269 HydrophobicContact CD1-CB 4.02Å; I252-L269 HydrophobicContact CD1-CD1 3.53Å; I252-L269 HydrophobicContact CD1-CG 3.63Å; I252-L269 HydrophobicContact CG1-CD1 3.64Å; I252-L269 HydrophobicContact CG1-CG 3.9Å; I252-L269 HydrophobicContact CG2-CG 4.4Å; L269-F271 HydrophobicContact CB-CD2 4.16Å; L269-F271 HydrophobicContact CB-CE2 3.71Å; L269-F271 HydrophobicContact CD1-CE2 4.2Å; L269-F277 HydrophobicContact CB-CD2 4.29Å; L269-F277 HydrophobicContact CD1-CD2 3.92Å; L269-F277 HydrophobicContact CD1-CE2 3.93Å; L269-F277 HydrophobicContact CD1-CG 4.47Å; L269-F277 HydrophobicContact CD2-CD2 3.89Å; L269-F277 HydrophobicContact CD2-CE2 3.98Å; L269-F277 HydrophobicContact CG-CD2 4.26Å; L269-A279 HydrophobicContact CD2-CB 3.51Å
270E97.1Very high95.4Very high22 Ų2249.8 Ų49.810%0.10327%0.265CS..EExtended strand (participates in β ladder)trans-97110.3176.2-56.5-169.715400109.5V45 R71 F277 D278 K280V45-E270 WeakPolarHBondContact O-CA 3.12Å; R71-E270 IonicContact CZ-OE1 2.9Å; R71-E270 IonicContact NH1-OE1 2.99Å; R71-E270 PolarHBondContact NH1-OE1 3.2Å; R71-E270 IonicContact NH1-OE2 3.88Å; R71-E270 IonicContact NH2-OE1 3.85Å; R71-E270 PolarHBondContact NH2-OE1 3.3Å; R71-E270 VanDerWaalsContact NH2-OE1 3.08Å; E270-F277 CarbonylContact O-C 3.55Å; E270-F277 WeakPolarHBondContact O-CA 3.49Å; E270-D278 PolarHBondContact N-O 3.23Å; E270-D278 PolarHBondContact O-N 2.81Å; E270-K280 HydrophobicContact CG-CG 3.91Å; E270-K280 WeakPolarHBondContact OE2-CE 3.44Å; E270-K280 IonicContact OE2-NZ 3.25Å
271F97.3Very high95.8Very high1 Ų152 Ų520%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-96.8126.6175.1-75.3-108000110.5F43 P44 V45 I47 V156 I250 L269 F277F43-F271 HydrophobicContact CD1-CB 3.94Å; F43-F271 HydrophobicContact CE1-CB 3.72Å; P44-F271 WeakPolarHBondContact CA-O 3.27Å; V45-F271 HydrophobicContact CG1-CB 3.92Å; V45-F271 PolarHBondContact N-O 3.18Å; V45-F271 VanDerWaalsContact N-O 3.08Å; V45-F271 PolarHBondContact O-N 2.97Å; I47-F271 HydrophobicContact CD1-CD2 3.63Å; I47-F271 HydrophobicContact CD1-CE2 3.63Å; I47-F271 HydrophobicContact CD1-CG 4.45Å; I47-F271 HydrophobicContact CD1-CZ 4.43Å; I47-F271 HydrophobicContact CG1-CD2 4.25Å; V156-F271 HydrophobicContact CG1-CE1 4.3Å; V156-F271 HydrophobicContact CG1-CZ 4.42Å; V156-F271 HydrophobicContact CG2-CD1 4.19Å; V156-F271 HydrophobicContact CG2-CE1 4.05Å; I250-F271 HydrophobicContact CD1-CZ 4.02Å; L269-F271 HydrophobicContact CB-CD2 4.16Å; L269-F271 HydrophobicContact CB-CE2 3.71Å; L269-F271 HydrophobicContact CD1-CE2 4.2Å; F271-F277 HydrophobicContact CD1-CB 3.82Å; F271-F277 HydrophobicContact CD2-CB 3.68Å; F271-F277 HydrophobicContact CE1-CB 3.74Å; F271-F277 AromaticContact CE1-CD1 3.9Å; F271-F277 HydrophobicContact CE1-CD1 3.9Å; F271-F277 HydrophobicContact CE1-CG 4.18Å; F271-F277 HydrophobicContact CE2-CB 3.57Å; F271-F277 HydrophobicContact CE2-CD1 4.39Å; F271-F277 HydrophobicContact CE2-CG 4.03Å; F271-F277 HydrophobicContact CG-CB 3.79Å; F271-F277 HydrophobicContact CZ-CB 3.61Å; F271-F277 AromaticContact CZ-CD1 3.7Å; F271-F277 HydrophobicContact CZ-CD1 3.7Å; F271-F277 AromaticContact CZ-CG 3.8Å; F271-F277 HydrophobicContact CZ-CG 3.8Å
272Q94.8Very high96.1Very high112 Ų11244.6 Ų44.652%0.52325%0.251SS..EExtended strand (participates in β ladder)trans-102.6-25.6171.6-61-62.5-38.300111.5Q276Q272-Q276 PolarHBondContact N-O 2.89Å
273S95.4Very high96.3Very high34 Ų3449.5 Ų49.524%0.23827%0.27CS..EExtended strand (participates in β ladder)trans-148.4169.7176.875.80000109.4T275 Q276S273-T275 PolarHBondContact O-N 2.92Å; S273-Q276 PolarHBondContact O-N 3.28Å; S273-Q276 WeakPolarHBondContact OG-CB 3.46Å; S273-Q276 PolarHBondContact OG-N 3.43Å
274P93.6Very high96.3Very high38 Ų3848 Ų4825%0.24725%0.252CS..THydrogen-bonded Turntrans-56.2-32180-31.439000116.1F43 K155 E228F43-P274 HydrophobicContact CE2-CG 3.81Å; F43-P274 HydrophobicContact CZ-CB 4.41Å; F43-P274 HydrophobicContact CZ-CG 3.85Å; K155-P274 HydrophobicContact CB-CB 3.58Å; K155-P274 HydrophobicContact CB-CG 3.79Å; K155-P274 HydrophobicContact CG-CB 3.96Å; K155-P274 HydrophobicContact CG-CG 3.79Å; E228-P274 HydrophobicContact CB-CB 4.41Å
275T92.8Very high96.1Very high102 Ų10248 Ų4863%0.62625%0.252SS*.THydrogen-bonded Turntrans-107-9.9-171.752.40000113.5E228 S273E228-T275 HydrophobicContact CG-CG2 3.72Å; S273-T275 PolarHBondContact O-N 2.92Å
276Q91.1Very high95.8Very high134 Ų13447.9 Ų47.963%0.62626%0.255SS*.EExtended strand (participates in β ladder)trans-123.8115-175.1-172.1-178.7-9.500110.6Q272 S273Q272-Q276 PolarHBondContact N-O 2.89Å; S273-Q276 PolarHBondContact O-N 3.28Å; S273-Q276 WeakPolarHBondContact OG-CB 3.46Å; S273-Q276 PolarHBondContact OG-N 3.43Å
277F95.3Very high95.1Very high60 Ų6051 Ų5126%0.26327%0.272SS..EExtended strand (participates in β ladder)trans-123.9152.916969.9-93000111.4Y241 I250 L269 E270 F271Y241-F277 HydrophobicContact CD2-CE2 4.38Å; Y241-F277 AromaticContact CE2-CE2 3.93Å; Y241-F277 HydrophobicContact CE2-CE2 3.93Å; Y241-F277 HydrophobicContact CE2-CZ 4.24Å; I250-F277 HydrophobicContact CD1-CD1 3.98Å; I250-F277 HydrophobicContact CD1-CE1 3.5Å; I250-F277 VanDerWaalsContact CD1-CE1 3.5Å; I250-F277 HydrophobicContact CD1-CZ 4.06Å; L269-F277 HydrophobicContact CB-CD2 4.29Å; L269-F277 HydrophobicContact CD1-CD2 3.92Å; L269-F277 HydrophobicContact CD1-CE2 3.93Å; L269-F277 HydrophobicContact CD1-CG 4.47Å; L269-F277 HydrophobicContact CD2-CD2 3.89Å; L269-F277 HydrophobicContact CD2-CE2 3.98Å; L269-F277 HydrophobicContact CG-CD2 4.26Å; E270-F277 CarbonylContact O-C 3.55Å; E270-F277 WeakPolarHBondContact O-CA 3.49Å; F271-F277 HydrophobicContact CD1-CB 3.82Å; F271-F277 HydrophobicContact CD2-CB 3.68Å; F271-F277 HydrophobicContact CE1-CB 3.74Å; F271-F277 AromaticContact CE1-CD1 3.9Å; F271-F277 HydrophobicContact CE1-CD1 3.9Å; F271-F277 HydrophobicContact CE1-CG 4.18Å; F271-F277 HydrophobicContact CE2-CB 3.57Å; F271-F277 HydrophobicContact CE2-CD1 4.39Å; F271-F277 HydrophobicContact CE2-CG 4.03Å; F271-F277 HydrophobicContact CG-CB 3.79Å; F271-F277 HydrophobicContact CZ-CB 3.61Å; F271-F277 AromaticContact CZ-CD1 3.7Å; F271-F277 HydrophobicContact CZ-CD1 3.7Å; F271-F277 AromaticContact CZ-CG 3.8Å; F271-F277 HydrophobicContact CZ-CG 3.8Å
278D96.3Very high94.4Very high81 Ų8159 Ų5943%0.43331%0.309SS..EExtended strand (participates in β ladder)trans-114.3133.1169.5-173.729.2000109.8E270 K280E270-D278 PolarHBondContact N-O 3.23Å; E270-D278 PolarHBondContact O-N 2.81Å; D278-K280 WeakPolarHBondContact OD2-CE 3.47Å; D278-K280 IonicContact OD2-NZ 3.8Å; D278-K280 PolarHBondContact OD2-NZ 3.42Å
279A97.3Very high93.7Very high22 Ų2264.7 Ų64.718%0.18234%0.336CS..EExtended strand (participates in β ladder)trans-93.9115.7-178.900000110Y241 L269Y241-A279 HydrophobicContact CD1-CB 3.94Å; Y241-A279 HydrophobicContact CE1-CB 3.47Å; Y241-A279 VanDerWaalsContact CE1-CB 3.47Å; Y241-A279 HydrophobicContact CE2-CB 4.42Å; L269-A279 HydrophobicContact CD2-CB 3.51Å
280K97.6Very high93Very high63 Ų6365.9 Ų65.927%0.27434%0.34SS..EExtended strand (participates in β ladder)trans-94.8103.7173.3-52.8-59.3-172.3-175.10109.2R64 A267 I268 E270 D278R64-K280 HydrophobicContact CB-CB 4.44Å; A267-K280 WeakPolarHBondContact CA-O 3.35Å; I268-K280 HydrophobicContact CD1-CB 4.24Å; I268-K280 HydrophobicContact CG1-CB 3.74Å; I268-K280 HydrophobicContact CG1-CG 4.37Å; I268-K280 PolarHBondContact N-O 3.11Å; I268-K280 VanDerWaalsContact N-O 3.11Å; I268-K280 PolarHBondContact O-N 2.95Å; E270-K280 HydrophobicContact CG-CG 3.91Å; E270-K280 WeakPolarHBondContact OE2-CE 3.44Å; E270-K280 IonicContact OE2-NZ 3.25Å; D278-K280 WeakPolarHBondContact OD2-CE 3.47Å; D278-K280 IonicContact OD2-NZ 3.8Å; D278-K280 PolarHBondContact OD2-NZ 3.42Å
281L97.6Very high92Very high84 Ų8467.8 Ų67.844%0.4436%0.356SS..EExtended strand (participates in β ladder)trans-82.4146176.6-54.7-177.7000111.3Y241 I265 A266 A267Y241-L281 HydrophobicContact CD1-CD2 4.06Å; Y241-L281 HydrophobicContact CE1-CD2 4.21Å; I265-L281 HydrophobicContact CG2-CB 4.13Å; A266-L281 CarbonylContact O-C 3.48Å; A266-L281 WeakPolarHBondContact O-CA 3.48Å; A267-L281 HydrophobicContact CB-CD2 3.62Å
282F97.3Very high90.9Very high8 Ų873.4 Ų73.44%0.03538%0.381CS..EExtended strand (participates in β ladder)trans-153.2150.117463.9-79.3000112.5Q60 L61 R64 S254 P256 I265 A266 I268Q60-F282 HydrophobicContact CB-CD2 4.36Å; L61-F282 HydrophobicContact CB-CE1 4.38Å; L61-F282 HydrophobicContact CB-CE2 4.32Å; L61-F282 HydrophobicContact CB-CZ 3.87Å; L61-F282 HydrophobicContact CD1-CZ 4.28Å; L61-F282 HydrophobicContact CG-CZ 4.27Å; R64-F282 HydrophobicContact CG-CB 4.1Å; S254-F282 WeakPolarHBondContact O-CZ 3.46Å; P256-F282 HydrophobicContact CG-CD2 4.19Å; P256-F282 HydrophobicContact CG-CE2 3.9Å; I265-F282 WeakPolarHBondContact CG2-O 3.24Å; A266-F282 HydrophobicContact CB-CD1 4.14Å; A266-F282 HydrophobicContact CB-CD2 4.14Å; A266-F282 HydrophobicContact CB-CE1 3.66Å; A266-F282 HydrophobicContact CB-CE2 3.67Å; A266-F282 HydrophobicContact CB-CG 4.36Å; A266-F282 HydrophobicContact CB-CZ 3.41Å; A266-F282 VanDerWaalsContact CB-CZ 3.41Å; A266-F282 PolarHBondContact N-O 3.21Å; A266-F282 PolarHBondContact O-N 2.89Å; I268-F282 HydrophobicContact CG2-CE1 4.28Å
283E96.2Very high89.9Confident150 Ų15069.1 Ų69.170%0.70136%0.363SS*.PPolyproline II helixtrans-94.7167.3178.1-67.2177.9-153.300111.5
284A94.9Very high88.8Confident28 Ų2871.7 Ų71.723%0.23138%0.378CS..PPolyproline II helixtrans-62.9138.8175.800000110.6P256 N257P256-A284 HydrophobicContact CB-CB 4.02Å; P256-A284 HydrophobicContact CG-CB 4.08Å; N257-A284 HydrophobicContact CB-CB 3.67Å
285V93.5Very high87.6Confident8 Ų876 Ų765%0.04840%0.399CS..PPolyproline II helixtrans-57133.9169178.20000109.1D57 Q60 E289 R290D57-V285 WeakPolarHBondContact OD1-CG2 3.44Å; D57-V285 PolarHBondContact OD1-N 3.42Å; Q60-V285 HydrophobicContact CB-CG2 4.41Å; Q60-V285 HydrophobicContact CG-CG2 3.17Å; V285-E289 HydrophobicContact CG1-CB 3.59Å; V285-R290 HydrophobicContact CB-CG 4.33Å; V285-R290 HydrophobicContact CG1-CG 3.95Å; V285-R290 PolarHBondContact O-NE 3Å; V285-R290 PolarHBondContact O-NH1 3.46Å; V285-R290 PolarHBondContact O-NH2 2.86Å
286P90.4Very high86.3Confident59 Ų5981.4 Ų81.438%0.38341%0.407SS..PPolyproline II helixtrans-56.7147.3176.2-25.134.5000112E288 E289 R290P286-E288 WeakPolarHBondContact CB-OE2 3.5Å; P286-E288 PolarHBondContact O-N 2.89Å; P286-E288 VanDerWaalsContact O-N 3.17Å; P286-E289 PolarHBondContact O-N 3.26Å; P286-R290 WeakPolarHBondContact O-CG 3.48Å
287D83.9Confident85.2Confident66 Ų6677.1 Ų77.135%0.35339%0.389SS..G310 helixtrans-62.5-25.6-176.9-85.9-6.8000113.1E289 R290 K292D287-E289 VanDerWaalsContact C-N 3.3Å; D287-R290 PolarHBondContact O-N 3.11Å; D287-R290 IonicContact OD1-NH1 3.27Å; D287-R290 PolarHBondContact OD1-NH1 3.46Å; D287-K292 VanDerWaalsContact CG-CE 3.45Å; D287-K292 VanDerWaalsContact CG-NZ 3.32Å; D287-K292 IonicContact OD1-NZ 3.35Å; D287-K292 WeakPolarHBondContact OD2-CE 3.45Å; D287-K292 IonicContact OD2-NZ 2.55Å; D287-K292 PolarHBondContact OD2-NZ 3.4Å
288E84Confident83.7Confident167 Ų16774.3 Ų74.378%0.7838%0.376SS*.G310 helixtrans-71.8-24.1177.3-55.176.2-16500112.7P286 R290P286-E288 WeakPolarHBondContact CB-OE2 3.5Å; P286-E288 PolarHBondContact O-N 2.89Å; P286-E288 VanDerWaalsContact O-N 3.17Å; E288-R290 VanDerWaalsContact C-N 3.33Å
289E83.6Confident81.8Confident120 Ų12073.4 Ų73.456%0.56138%0.375SS*.G310 helixtrans-90.2-2.7176.8-70.4-176.6-135.200112.4V285 P286 D287V285-E289 HydrophobicContact CG1-CB 3.59Å; P286-E289 PolarHBondContact O-N 3.26Å; D287-E289 VanDerWaalsContact C-N 3.3Å
290R82Confident80.1Confident24 Ų2474.9 Ų74.99%0.09138%0.376CS..SBendtrans-104.7143.1178.7-60.3172.8172.8161.5-7.2109.3Y56 D57 V285 P286 D287 E288Y56-R290 HydrophobicContact CD2-CB 3.86Å; Y56-R290 HydrophobicContact CD2-CG 3.68Å; Y56-R290 HydrophobicContact CE2-CB 3.89Å; Y56-R290 HydrophobicContact CE2-CG 4.24Å; Y56-R290 HydrophobicContact CG-CB 4.39Å; Y56-R290 HydrophobicContact CG-CG 3.87Å; D57-R290 VanDerWaalsContact CG-NH2 3.26Å; D57-R290 IonicContact OD1-CZ 3.12Å; D57-R290 IonicContact OD1-NH2 3.32Å; D57-R290 PolarHBondContact OD1-NH2 3.18Å; D57-R290 IonicContact OD2-CZ 2.67Å; D57-R290 IonicContact OD2-NH2 3.98Å; D57-R290 PolarHBondContact OD2-NH2 3.19Å; V285-R290 HydrophobicContact CB-CG 4.33Å; V285-R290 HydrophobicContact CG1-CG 3.95Å; V285-R290 PolarHBondContact O-NE 3Å; V285-R290 PolarHBondContact O-NH1 3.46Å; V285-R290 PolarHBondContact O-NH2 2.86Å; P286-R290 WeakPolarHBondContact O-CG 3.48Å; D287-R290 PolarHBondContact O-N 3.11Å; D287-R290 IonicContact OD1-NH1 3.27Å; D287-R290 PolarHBondContact OD1-NH1 3.46Å; E288-R290 VanDerWaalsContact C-N 3.33Å
291S77.1Confident78Confident63 Ų6373.4 Ų73.444%0.44137%0.37SS..  trans-71.4147.8152.266.80000107.5Y56 Y85Y56-S291 WeakPolarHBondContact OH-CB 3.35Å; Y56-S291 PolarHBondContact OH-N 2.98Å; Y56-S291 VanDerWaalsContact OH-N 3.07Å; Y56-S291 PolarHBondContact OH-OG 3.46Å; Y85-S291 PolarHBondContact OH-O 2.9Å; Y85-S291 PolarHBondContact OH-OG 2.97Å
292K73.1Confident75.4Confident119 Ų11978.9 Ų78.952%0.51740%0.398SS..  trans-112.8125.5165.6-70.1-176.4179.7-178.30106.5D287D287-K292 VanDerWaalsContact CG-CE 3.45Å; D287-K292 VanDerWaalsContact CG-NZ 3.32Å; D287-K292 IonicContact OD1-NZ 3.35Å; D287-K292 WeakPolarHBondContact OD2-CE 3.45Å; D287-K292 IonicContact OD2-NZ 2.55Å; D287-K292 PolarHBondContact OD2-NZ 3.4Å
293P75.7Confident74.3Confident22 Ų2282.4 Ų82.414%0.14342%0.416CS..  trans-70154.2179.431.9-32.3000109.5Y84 Y85 L295 I297 T298Y84-P293 HydrophobicContact CD1-CG 4.01Å; Y84-P293 HydrophobicContact CG-CG 4.02Å; Y85-P293 WeakPolarHBondContact OH-CD 3.12Å; P293-L295 PolarHBondContact O-N 3.19Å; P293-I297 HydrophobicContact CB-CB 4.37Å; P293-I297 HydrophobicContact CB-CD1 4.49Å; P293-T298 HydrophobicContact CG-CG2 4.23Å
294P72Confident73.2Confident87 Ų8778.8 Ų78.857%0.56540%0.401SS*.  trans-55.3140.8169.4-22.431.7000110.9R296 I297P294-R296 PolarHBondContact O-N 2.86Å; P294-I297 HydrophobicContact CG-CD1 4.36Å; P294-I297 WeakPolarHBondContact O-CB 3.34Å; P294-I297 PolarHBondContact O-N 2.89Å
295L67.8Low72Confident129 Ų12981.7 Ų81.768%0.67541%0.411SS*.THydrogen-bonded Turntrans-50.7-31.7179.7-72.9168.6000113.4P293 I297 T298 P299P293-L295 PolarHBondContact O-N 3.19Å; L295-I297 PolarHBondContact O-N 3.22Å; L295-T298 CarbonylContact O-C 3.28Å; L295-T298 VanDerWaalsContact O-C 3.28Å; L295-T298 PolarHBondContact O-N 3.25Å; L295-P299 VanDerWaalsContact O-CA 3.32Å; L295-P299 WeakPolarHBondContact O-CA 3.38Å; L295-P299 VanDerWaalsContact O-N 3.1Å
296R65.8Low70.7Confident215 Ų21586 Ų8681%0.81143%0.432SS*.THydrogen-bonded Turntrans-58-29.7176.2-177.7177.8175.5-169.9-0.9113.2N128 P294N128-R296 PolarHBondContact ND2-O 3.3Å; N128-R296 VanDerWaalsContact ND2-O 3.15Å; P294-R296 PolarHBondContact O-N 2.86Å
297I67.3Low69.5Low45 Ų4587.7 Ų87.723%0.23144%0.435CS..THydrogen-bonded Turntrans-80.5-35.8-178.6-55.7-172.7000110.9N128 K129 P293 P294 L295N128-I297 HydrophobicContact CB-CG2 4.33Å; N128-I297 PolarHBondContact ND2-O 3.41Å; K129-I297 HydrophobicContact CD-CG2 4.42Å; K129-I297 HydrophobicContact CG-CG2 3.86Å; P293-I297 HydrophobicContact CB-CB 4.37Å; P293-I297 HydrophobicContact CB-CD1 4.49Å; P294-I297 HydrophobicContact CG-CD1 4.36Å; P294-I297 WeakPolarHBondContact O-CB 3.34Å; P294-I297 PolarHBondContact O-N 2.89Å; L295-I297 PolarHBondContact O-N 3.22Å
298T64.2Low68.5Low1 Ų189.1 Ų89.11%0.00644%0.441CS..  trans-131.964.1-174.748.60000111Y84 E125 P293 L295 Y300Y84-T298 HydrophobicContact CD1-CG2 4.33Å; Y84-T298 WeakPolarHBondContact CD1-OG1 3.12Å; E125-T298 HydrophobicContact CG-CG2 4.45Å; P293-T298 HydrophobicContact CG-CG2 4.23Å; L295-T298 CarbonylContact O-C 3.28Å; L295-T298 VanDerWaalsContact O-C 3.28Å; L295-T298 PolarHBondContact O-N 3.25Å; T298-Y300 HydrophobicContact CG2-CE1 4.08Å; T298-Y300 PolarHBondContact O-N 3.41Å
299P57.2Low67.4Low62 Ų6283.6 Ų83.640%0.40342%0.416SS..THydrogen-bonded Turntrans-71.4-12-171.630.1-36.6000113.9L295 F301L295-P299 VanDerWaalsContact O-CA 3.32Å; L295-P299 WeakPolarHBondContact O-CA 3.38Å; L295-P299 VanDerWaalsContact O-N 3.1Å; P299-F301 VanDerWaalsContact C-N 3.28Å; P299-F301 PolarHBondContact O-N 3.44Å
300Y61.1Low66.1Low52 Ų5280.8 Ų80.820%0.20441%0.405CS..THydrogen-bonded Turntrans-78.2-8.1-176.753.6-95.5000114G83 G121 E125 T298 L302G83-Y300 PolarHBondContact O-OH 2.71Å; G121-Y300 VanDerWaalsContact CA-CE1 3.44Å; G121-Y300 VanDerWaalsContact O-CE1 3.23Å; G121-Y300 WeakPolarHBondContact O-CE1 3.31Å; E125-Y300 HydrophobicContact CB-CE1 4.48Å; E125-Y300 PolarHBondContact OE2-OH 3.04Å; T298-Y300 HydrophobicContact CG2-CE1 4.08Å; T298-Y300 PolarHBondContact O-N 3.41Å; Y300-L302 PolarHBondContact O-N 3.36Å
301F54.2Low64.8Low33 Ų3385.5 Ų85.515%0.14543%0.431CS..  trans-79.776.1165.2-83.8-84.7000110.4R82 G83 Y84 C259 Y260 P299R82-F301 WeakPolarHBondContact O-CZ 3.39Å; G83-F301 VanDerWaalsContact CA-CZ 3.42Å; Y84-F301 AromaticContact CD1-CD2 3.48Å; Y84-F301 HydrophobicContact CD1-CD2 3.48Å; Y84-F301 VanDerWaalsContact CD1-CD2 3.48Å; Y84-F301 AromaticContact CD1-CE2 3.57Å; Y84-F301 HydrophobicContact CD1-CE2 3.57Å; Y84-F301 HydrophobicContact CD1-CG 4.15Å; Y84-F301 HydrophobicContact CD1-CZ 4.31Å; Y84-F301 HydrophobicContact CE1-CB 3.82Å; Y84-F301 HydrophobicContact CE1-CD1 4.07Å; Y84-F301 AromaticContact CE1-CD2 3.25Å; Y84-F301 HydrophobicContact CE1-CD2 3.25Å; Y84-F301 HydrophobicContact CE1-CE1 4.45Å; Y84-F301 AromaticContact CE1-CE2 3.69Å; Y84-F301 HydrophobicContact CE1-CE2 3.69Å; Y84-F301 AromaticContact CE1-CG 3.44Å; Y84-F301 HydrophobicContact CE1-CG 3.44Å; Y84-F301 VanDerWaalsContact CE1-CG 3.44Å; Y84-F301 HydrophobicContact CE1-CZ 4.23Å; Y84-F301 HydrophobicContact CG-CD2 4.48Å; Y84-F301 HydrophobicContact CG-CE2 4.17Å; Y84-F301 AromaticContact CZ-CG 3.95Å; C259-F301 HydrophobicContact CB-CE1 4.39Å; Y260-F301 HydrophobicContact CD2-CD1 4.23Å; Y260-F301 AromaticContact CD2-CE1 3.45Å; Y260-F301 HydrophobicContact CD2-CE1 3.45Å; Y260-F301 VanDerWaalsContact CD2-CE1 3.45Å; Y260-F301 AromaticContact CD2-CZ 3.71Å; Y260-F301 HydrophobicContact CD2-CZ 3.71Å; Y260-F301 AromaticContact CE2-CE1 3.68Å; Y260-F301 HydrophobicContact CE2-CE1 3.68Å; Y260-F301 HydrophobicContact CE2-CE2 4.2Å; Y260-F301 AromaticContact CE2-CZ 3.39Å; Y260-F301 HydrophobicContact CE2-CZ 3.39Å; P299-F301 VanDerWaalsContact C-N 3.28Å; P299-F301 PolarHBondContact O-N 3.44Å
302L42.3Very low63.7Low198 Ų19887.5 Ų87.5100%1.03743%0.431SS*.  trans-111.20159.3-67.7171.4000108.5Y300Y300-L302 PolarHBondContact O-N 3.36Å

Retrieved 302 of 302 residues in 434.1 ms (Link to these results)

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