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GH22816p1

AlphaFold DB , UniProt , Accession X4YME1, Species DROME (Drosophila melanogaster, Fruit fly), Gene beta-Spec-RA, Length 1,110 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
1E76.1Confident81.9Confident84 Ų8464.1 Ų64.139%0.39333%0.326SS..  0-81.10-70.2175.5-156.700113.3L3 L4 S5 R68 I72E1-L3 VanDerWaalsContact C-N 3.25Å; E1-L3 PolarHBondContact O-N 3.37Å; E1-L3 VanDerWaalsContact O-N 3.12Å; E1-L4 WeakPolarHBondContact O-CA 3.39Å; E1-L4 WeakPolarHBondContact O-CB 3.45Å; E1-L4 PolarHBondContact O-N 3.43Å; E1-S5 PolarHBondContact O-N 3.01Å; E1-R68 VanDerWaalsContact CD-NH2 3.28Å; E1-R68 IonicContact OE1-CZ 2.72Å; E1-R68 IonicContact OE1-NE 2.91Å; E1-R68 PolarHBondContact OE1-NE 2.92Å; E1-R68 IonicContact OE1-NH2 3.82Å; E1-R68 PolarHBondContact OE1-NH2 3.09Å; E1-R68 IonicContact OE2-CZ 3.64Å; E1-R68 IonicContact OE2-NH2 3.85Å; E1-R68 PolarHBondContact OE2-NH2 3.36Å; E1-I72 HydrophobicContact CG-CG1 4.32Å
2V81.8Confident81.5Confident109 Ų10966 Ų6666%0.66135%0.35SS*.Hα-helixtrans-50.4-43.6-175.8177.90000113.3S5 Q6V2-S5 PolarHBondContact O-N 3.49Å; V2-Q6 WeakPolarHBondContact O-CG 3.36Å; V2-Q6 PolarHBondContact O-N 2.72Å
3L80.7Confident80.9Confident49 Ų4970.8 Ų70.826%0.25737%0.366SS..Hα-helixtrans-63-42.5178.5-158.7155.2000112.3E1 Q6 Q7 N40 I44E1-L3 VanDerWaalsContact C-N 3.25Å; E1-L3 PolarHBondContact O-N 3.37Å; E1-L3 VanDerWaalsContact O-N 3.12Å; L3-Q6 PolarHBondContact O-N 3.1Å; L3-Q7 HydrophobicContact CD2-CG 4.39Å; L3-Q7 WeakPolarHBondContact O-CG 3.38Å; L3-Q7 PolarHBondContact O-N 3.34Å; L3-Q7 VanDerWaalsContact O-N 3.07Å; L3-N40 HydrophobicContact CD1-CB 3.8Å; L3-N40 HydrophobicContact CD2-CB 3.68Å; L3-N40 HydrophobicContact CG-CB 4.34Å; L3-I44 HydrophobicContact CD2-CD1 4.5Å
4L82.9Confident79.8Confident1 Ų172.7 Ų72.71%0.00538%0.377CS..Hα-helixtrans-65.8-38.3175.3-62.7174.8000111.3E1 Q6 Q7 E8 I44 I72 R75 R76 N79E1-L4 WeakPolarHBondContact O-CA 3.39Å; E1-L4 WeakPolarHBondContact O-CB 3.45Å; E1-L4 PolarHBondContact O-N 3.43Å; L4-Q6 VanDerWaalsContact C-N 3.32Å; L4-Q6 PolarHBondContact O-N 3.35Å; L4-Q7 VanDerWaalsContact CD2-OE1 3.28Å; L4-Q7 WeakPolarHBondContact O-CB 3.2Å; L4-Q7 PolarHBondContact O-N 3.06Å; L4-E8 VanDerWaalsContact O-CG 3.25Å; L4-E8 WeakPolarHBondContact O-CG 3.5Å; L4-E8 PolarHBondContact O-N 3.02Å; L4-I44 HydrophobicContact CD2-CD1 3.74Å; L4-I44 HydrophobicContact CG-CD1 4.33Å; L4-I72 HydrophobicContact CD1-CG2 4.16Å; L4-I72 WeakPolarHBondContact CD1-O 3.38Å; L4-R75 HydrophobicContact CD1-CB 3.88Å; L4-R76 HydrophobicContact CD2-CB 4.14Å; L4-N79 PolarHBondContact O-ND2 3.37Å; L4-N79 VanDerWaalsContact O-ND2 3.07Å
5S83.4Confident79Confident52 Ų5275.4 Ų75.436%0.36439%0.392SS..Hα-helixtrans-66.7-29.9173.8-71.50000113.9E1 V2 E8 H9 R75E1-S5 PolarHBondContact O-N 3.01Å; V2-S5 PolarHBondContact O-N 3.49Å; S5-E8 WeakPolarHBondContact CA-OE2 3.25Å; S5-E8 PolarHBondContact OG-OE2 3.25Å; S5-H9 PolarHBondContact O-N 3.18Å; S5-H9 VanDerWaalsContact O-N 3.16Å; S5-R75 PolarHBondContact OG-NH2 3.49Å
6Q81.6Confident78.7Confident130 Ų13075.8 Ų75.861%0.60740%0.399SS*.Hα-helixtrans-71.4-38.4172.2-73.3174.9-14.200111.7V2 L3 L4 H9 F10V2-Q6 WeakPolarHBondContact O-CG 3.36Å; V2-Q6 PolarHBondContact O-N 2.72Å; L3-Q6 PolarHBondContact O-N 3.1Å; L4-Q6 VanDerWaalsContact C-N 3.32Å; L4-Q6 PolarHBondContact O-N 3.35Å; Q6-H9 PolarHBondContact O-N 2.8Å; Q6-F10 PolarHBondContact O-N 3.29Å; Q6-F10 VanDerWaalsContact O-N 3.13Å
7Q83.3Confident78.6Confident7 Ų771.9 Ų71.93%0.03338%0.379CS..Hα-helixtrans-63.9-48172.4-68.2167.6-6.700111.4L3 L4 H9 F10 L11 F33 M37 N79L3-Q7 HydrophobicContact CD2-CG 4.39Å; L3-Q7 WeakPolarHBondContact O-CG 3.38Å; L3-Q7 PolarHBondContact O-N 3.34Å; L3-Q7 VanDerWaalsContact O-N 3.07Å; L4-Q7 VanDerWaalsContact CD2-OE1 3.28Å; L4-Q7 WeakPolarHBondContact O-CB 3.2Å; L4-Q7 PolarHBondContact O-N 3.06Å; Q7-H9 VanDerWaalsContact C-N 3.27Å; Q7-H9 PolarHBondContact O-N 3.13Å; Q7-F10 PolarHBondContact O-N 2.77Å; Q7-F10 VanDerWaalsContact O-N 3.1Å; Q7-L11 WeakPolarHBondContact O-CG 3.49Å; Q7-L11 PolarHBondContact O-N 3.14Å; Q7-F33 HydrophobicContact CB-CE2 4.42Å; Q7-F33 HydrophobicContact CB-CZ 3.94Å; Q7-F33 HydrophobicContact CG-CE2 4.23Å; Q7-F33 HydrophobicContact CG-CZ 3.98Å; Q7-M37 HydrophobicContact CG-CG 3.82Å; Q7-M37 HydrophobicContact CG-SD 4.23Å; Q7-M37 VanDerWaalsContact NE2-CG 3.28Å; Q7-N79 HydrophobicContact CB-CB 4.45Å; Q7-N79 WeakPolarHBondContact CB-ND2 3.07Å; Q7-N79 PolarHBondContact OE1-ND2 3.41Å
8E84.8Confident78.6Confident57 Ų5774.2 Ų74.227%0.26640%0.396SS..Hα-helixtrans-52.9-44.2175.6-74.2159-166.300111.6L4 S5 L11 S12 R75 N79L4-E8 VanDerWaalsContact O-CG 3.25Å; L4-E8 WeakPolarHBondContact O-CG 3.5Å; L4-E8 PolarHBondContact O-N 3.02Å; S5-E8 WeakPolarHBondContact CA-OE2 3.25Å; S5-E8 PolarHBondContact OG-OE2 3.25Å; E8-L11 PolarHBondContact O-N 3.13Å; E8-S12 WeakPolarHBondContact O-CB 3.42Å; E8-S12 PolarHBondContact O-N 2.9Å; E8-R75 IonicContact OE1-CZ 3.71Å; E8-R75 IonicContact OE1-NE 3.25Å; E8-R75 PolarHBondContact OE1-NE 3.1Å; E8-R75 IonicContact OE1-NH2 2.81Å; E8-R75 PolarHBondContact OE1-NH2 2.52Å; E8-R75 IonicContact OE2-CZ 2.63Å; E8-R75 IonicContact OE2-NH2 2.74Å; E8-R75 PolarHBondContact OE2-NH2 3.18Å; E8-N79 WeakPolarHBondContact CG-OD1 3.49Å
9H83.1Confident78.6Confident121 Ų12174.5 Ų74.556%0.5640%0.398SS*.Hα-helixtrans-70.3-34.3179.3-172.21.5000113S5 Q6 Q7 S12S5-H9 PolarHBondContact O-N 3.18Å; S5-H9 VanDerWaalsContact O-N 3.16Å; Q6-H9 PolarHBondContact O-N 2.8Å; Q7-H9 VanDerWaalsContact C-N 3.27Å; Q7-H9 PolarHBondContact O-N 3.13Å; H9-S12 PolarHBondContact O-OG 2.96Å
10F81.3Confident78.8Confident64 Ų6472.2 Ų72.228%0.28139%0.385SS..Hα-helixtrans-65.6-43.8174.3-170.7-87000110.8Q6 Q7 S12 R29 H30 F33Q6-F10 PolarHBondContact O-N 3.29Å; Q6-F10 VanDerWaalsContact O-N 3.13Å; Q7-F10 PolarHBondContact O-N 2.77Å; Q7-F10 VanDerWaalsContact O-N 3.1Å; F10-S12 VanDerWaalsContact C-N 3.3Å; F10-S12 PolarHBondContact O-N 3.03Å; F10-R29 HydrophobicContact CZ-CG 4.35Å; F10-H30 AromaticContact CE1-ND1 3.66Å; F10-F33 HydrophobicContact CB-CD2 3.96Å; F10-F33 HydrophobicContact CB-CE2 3.53Å; F10-F33 HydrophobicContact CB-CZ 3.92Å; F10-F33 HydrophobicContact CD1-CB 4.02Å; F10-F33 AromaticContact CD1-CD1 3.56Å; F10-F33 HydrophobicContact CD1-CD1 3.56Å; F10-F33 AromaticContact CD1-CD2 3.49Å; F10-F33 HydrophobicContact CD1-CD2 3.49Å; F10-F33 VanDerWaalsContact CD1-CD2 3.49Å; F10-F33 AromaticContact CD1-CE1 3.83Å; F10-F33 HydrophobicContact CD1-CE1 3.83Å; F10-F33 AromaticContact CD1-CE2 3.76Å; F10-F33 HydrophobicContact CD1-CE2 3.76Å; F10-F33 AromaticContact CD1-CG 3.38Å; F10-F33 HydrophobicContact CD1-CG 3.38Å; F10-F33 AromaticContact CD1-CZ 3.91Å; F10-F33 HydrophobicContact CD1-CZ 3.91Å; F10-F33 AromaticContact CD2-CD2 3.88Å; F10-F33 HydrophobicContact CD2-CD2 3.88Å; F10-F33 HydrophobicContact CD2-CE2 4.34Å; F10-F33 HydrophobicContact CD2-CG 4.36Å; F10-F33 HydrophobicContact CE1-CB 3.48Å; F10-F33 VanDerWaalsContact CE1-CB 3.48Å; F10-F33 AromaticContact CE1-CD1 3.71Å; F10-F33 HydrophobicContact CE1-CD1 3.71Å; F10-F33 AromaticContact CE1-CD2 3.89Å; F10-F33 HydrophobicContact CE1-CD2 3.89Å; F10-F33 HydrophobicContact CE1-CE1 4.42Å; F10-F33 AromaticContact CE1-CG 3.39Å; F10-F33 HydrophobicContact CE1-CG 3.39Å; F10-F33 HydrophobicContact CE2-CB 4.22Å; F10-F33 HydrophobicContact CE2-CD2 4.24Å; F10-F33 HydrophobicContact CE2-CG 4.37Å; F10-F33 HydrophobicContact CG-CD1 4.38Å; F10-F33 AromaticContact CG-CD2 3.49Å; F10-F33 HydrophobicContact CG-CD2 3.49Å; F10-F33 VanDerWaalsContact CG-CD2 3.49Å; F10-F33 HydrophobicContact CG-CE1 4.5Å; F10-F33 AromaticContact CG-CE2 3.62Å; F10-F33 HydrophobicContact CG-CE2 3.62Å; F10-F33 AromaticContact CG-CG 3.9Å; F10-F33 HydrophobicContact CG-CG 3.9Å; F10-F33 HydrophobicContact CG-CZ 4.13Å; F10-F33 HydrophobicContact CZ-CB 3.6Å; F10-F33 HydrophobicContact CZ-CD2 4.24Å; F10-F33 AromaticContact CZ-CG 3.91Å; F10-F33 HydrophobicContact CZ-CG 3.91Å
11L81.4Confident79Confident31 Ų3175.6 Ų75.616%0.16240%0.399CS..Hα-helixtrans-76-11.6-178.2-64.2170.9000114.4Q7 E8 K13 F33 N79 R82 A83Q7-L11 WeakPolarHBondContact O-CG 3.49Å; Q7-L11 PolarHBondContact O-N 3.14Å; E8-L11 PolarHBondContact O-N 3.13Å; L11-K13 VanDerWaalsContact C-N 3.27Å; L11-K13 PolarHBondContact O-N 2.83Å; L11-F33 HydrophobicContact CD1-CE1 4.25Å; L11-F33 HydrophobicContact CD1-CZ 4.35Å; L11-F33 HydrophobicContact CD2-CD1 4.46Å; L11-F33 HydrophobicContact CD2-CE1 3.75Å; L11-F33 HydrophobicContact CD2-CZ 4.41Å; L11-F33 HydrophobicContact CG-CE1 3.92Å; L11-F33 HydrophobicContact CG-CZ 4.08Å; L11-N79 HydrophobicContact CD1-CB 4.07Å; L11-N79 WeakPolarHBondContact CD1-O 3.4Å; L11-R82 HydrophobicContact CD1-CB 4.27Å; L11-A83 HydrophobicContact CD1-CB 4.09Å; L11-A83 HydrophobicContact CD2-CB 3.73Å
12S77.5Confident79.3Confident87 Ų8775 Ų7561%0.60840%0.396SS*.THydrogen-bonded Turntrans-845.7177.282.10000114.1E8 H9 F10E8-S12 WeakPolarHBondContact O-CB 3.42Å; E8-S12 PolarHBondContact O-N 2.9Å; H9-S12 PolarHBondContact O-OG 2.96Å; F10-S12 VanDerWaalsContact C-N 3.3Å; F10-S12 PolarHBondContact O-N 3.03Å
13K74.3Confident79.3Confident128 Ų12869.8 Ų69.856%0.55737%0.365SS*.  trans-105.6107.9-179.6-66-175.3178.9-174.70110L11L11-K13 VanDerWaalsContact C-N 3.27Å; L11-K13 PolarHBondContact O-N 2.83Å
14D64.9Low79.4Confident98 Ų9870.4 Ų70.452%0.52437%0.366SS..  trans-108.791.5175.5-162.624000110Q86 K89D14-Q86 PolarHBondContact OD1-NE2 2.92Å; D14-K89 IonicContact OD1-NZ 3.45Å; D14-K89 PolarHBondContact OD1-NZ 3Å; D14-K89 IonicContact OD2-NZ 2.68Å; D14-K89 PolarHBondContact OD2-NZ 3.23Å
15D68.1Low79.5Confident113 Ų11374.6 Ų74.660%0.60439%0.389SS*.  trans-109.2105.6172.7-78.8-42.8000108.7Q26D15-Q26 PolarHBondContact O-NE2 3.22Å; D15-Q26 PolarHBondContact O-OE1 3.5Å
16T73.6Confident79.5Confident82 Ų8274 Ų7450%0.50338%0.38SS..  trans-67.9132.7174-8.90000110.6
17P77.9Confident79.6Confident9 Ų968.8 Ų68.86%0.05836%0.356CS..  trans-70.7155.4175.729.3-33.8000111.8Q22 A23 Q26 Q93P17-Q22 HydrophobicContact CB-CB 4.17Å; P17-Q22 HydrophobicContact CB-CG 4.03Å; P17-A23 HydrophobicContact CB-CB 3.68Å; P17-A23 HydrophobicContact CG-CB 3.66Å; P17-Q26 VanDerWaalsContact CD-OE1 3.28Å; P17-Q93 HydrophobicContact CG-CB 3.72Å; P17-Q93 HydrophobicContact CG-CG 4.13Å
18V77.3Confident79.7Confident114 Ų11473.7 Ų73.769%0.69138%0.378SS*.SBendtrans-116-12.7-177.1-166.40000112.3H97V18-H97 VanDerWaalsContact C-CE1 3.47Å; V18-H97 PolarHBondContact O-CE1 2.82Å
19N80.2Confident79.6Confident79 Ų7979.4 Ų79.442%0.42240%0.397SS..SBendtrans-149.4170.7174.966.329.5000111.2E21 Q22 A23N19-E21 PolarHBondContact OD1-N 3.43Å; N19-Q22 PolarHBondContact O-N 2.91Å; N19-Q22 WeakPolarHBondContact OD1-CB 3.31Å; N19-Q22 PolarHBondContact OD1-N 3.2Å; N19-A23 PolarHBondContact O-N 3.46Å
20L82.1Confident79.7Confident29 Ų2974.1 Ų74.115%0.15237%0.372CS..Hα-helixtrans-58.1-50.5-176.7-178.954.2000112.8Q22 A23 E24 V94 H97 E98L20-Q22 VanDerWaalsContact C-N 3.27Å; L20-Q22 PolarHBondContact O-N 3.26Å; L20-A23 PolarHBondContact O-N 3.37Å; L20-A23 VanDerWaalsContact O-N 3.09Å; L20-E24 HydrophobicContact CD1-CG 4.16Å; L20-E24 PolarHBondContact O-N 2.71Å; L20-V94 HydrophobicContact CD1-CG1 3.88Å; L20-H97 HydrophobicContact CB-CB 3.85Å; L20-H97 HydrophobicContact CD1-CB 4.19Å; L20-E98 HydrophobicContact CD1-CG 3.52Å; L20-E98 HydrophobicContact CD2-CG 3.98Å; L20-E98 HydrophobicContact CG-CG 4.41Å
21E82.8Confident79.8Confident143 Ų14374.9 Ų74.967%0.66838%0.377SS*.Hα-helixtrans-58.5-39-179.1-174.5-177.2-17400111.9N19 N25N19-E21 PolarHBondContact OD1-N 3.43Å; E21-N25 VanDerWaalsContact O-CB 3.3Å; E21-N25 WeakPolarHBondContact O-CB 3.29Å; E21-N25 PolarHBondContact O-N 3.43Å; E21-N25 VanDerWaalsContact O-N 3.1Å; E21-N25 PolarHBondContact O-ND2 3.13Å
22Q82.4Confident79.9Confident72 Ų7276.2 Ų76.234%0.33639%0.392SS..Hα-helixtrans-69.6-41.7176.1-171-178.6500111.6P17 N19 L20 N25 Q26P17-Q22 HydrophobicContact CB-CB 4.17Å; P17-Q22 HydrophobicContact CB-CG 4.03Å; N19-Q22 PolarHBondContact O-N 2.91Å; N19-Q22 WeakPolarHBondContact OD1-CB 3.31Å; N19-Q22 PolarHBondContact OD1-N 3.2Å; L20-Q22 VanDerWaalsContact C-N 3.27Å; L20-Q22 PolarHBondContact O-N 3.26Å; Q22-N25 PolarHBondContact O-N 3.24Å; Q22-Q26 WeakPolarHBondContact O-CB 3.45Å; Q22-Q26 VanDerWaalsContact O-CG 3.3Å; Q22-Q26 WeakPolarHBondContact O-CG 3.48Å; Q22-Q26 PolarHBondContact O-N 2.97Å
23A82.3Confident80.4Confident0 Ų073 Ų730%037%0.367CS..Hα-helixtrans-63.1-47.2178.400000111.5P17 N19 L20 Q26 L27 V94P17-A23 HydrophobicContact CB-CB 3.68Å; P17-A23 HydrophobicContact CG-CB 3.66Å; N19-A23 PolarHBondContact O-N 3.46Å; L20-A23 PolarHBondContact O-N 3.37Å; L20-A23 VanDerWaalsContact O-N 3.09Å; A23-Q26 PolarHBondContact O-N 3.45Å; A23-L27 WeakPolarHBondContact O-CB 3.4Å; A23-L27 PolarHBondContact O-N 3.22Å; A23-V94 HydrophobicContact CB-CB 4.43Å; A23-V94 HydrophobicContact CB-CG2 3.63Å
24E82.3Confident80.8Confident61 Ų6168.4 Ų68.429%0.28535%0.348SS..Hα-helixtrans-62-45.9176.5-76.2-165.5-166.300112.6L20 Q26 L27 K28 V94L20-E24 HydrophobicContact CD1-CG 4.16Å; L20-E24 PolarHBondContact O-N 2.71Å; E24-Q26 VanDerWaalsContact C-N 3.32Å; E24-Q26 PolarHBondContact O-N 3.39Å; E24-L27 PolarHBondContact O-N 2.97Å; E24-K28 WeakPolarHBondContact O-CB 3.28Å; E24-K28 WeakPolarHBondContact O-CG 3.2Å; E24-K28 PolarHBondContact O-N 3.25Å; E24-K28 IonicContact OE2-NZ 3.18Å; E24-K28 PolarHBondContact OE2-NZ 2.62Å; E24-V94 HydrophobicContact CG-CG1 4.21Å; E24-V94 HydrophobicContact CG-CG2 4.39Å
25N84Confident81.7Confident89 Ų8968 Ų6848%0.47635%0.35SS..Hα-helixtrans-67.1-35-178.4-81.5-53.5000111.9E21 Q22 R29E21-N25 VanDerWaalsContact O-CB 3.3Å; E21-N25 WeakPolarHBondContact O-CB 3.29Å; E21-N25 PolarHBondContact O-N 3.43Å; E21-N25 VanDerWaalsContact O-N 3.1Å; E21-N25 PolarHBondContact O-ND2 3.13Å; Q22-N25 PolarHBondContact O-N 3.24Å; N25-R29 VanDerWaalsContact O-CB 3.23Å; N25-R29 WeakPolarHBondContact O-CB 3.48Å; N25-R29 PolarHBondContact O-N 3.42Å; N25-R29 VanDerWaalsContact O-N 3.11Å
26Q84Confident82.4Confident39 Ų3966.2 Ų66.218%0.18234%0.343CS..Hα-helixtrans-66.9-44171.1-75.1178.6-1900111.6D15 P17 Q22 A23 E24 R29 H30 L90D15-Q26 PolarHBondContact O-NE2 3.22Å; D15-Q26 PolarHBondContact O-OE1 3.5Å; P17-Q26 VanDerWaalsContact CD-OE1 3.28Å; Q22-Q26 WeakPolarHBondContact O-CB 3.45Å; Q22-Q26 VanDerWaalsContact O-CG 3.3Å; Q22-Q26 WeakPolarHBondContact O-CG 3.48Å; Q22-Q26 PolarHBondContact O-N 2.97Å; A23-Q26 PolarHBondContact O-N 3.45Å; E24-Q26 VanDerWaalsContact C-N 3.32Å; E24-Q26 PolarHBondContact O-N 3.39Å; Q26-R29 PolarHBondContact O-N 3.42Å; Q26-H30 WeakPolarHBondContact O-CB 3.36Å; Q26-H30 PolarHBondContact O-N 2.74Å; Q26-L90 HydrophobicContact CB-CD1 4.31Å; Q26-L90 HydrophobicContact CB-CD2 3.8Å
27L84.8Confident82.8Confident21 Ų2162.7 Ų62.711%0.1132%0.321CS..Hα-helixtrans-60.1-52.5177.2-176.363.4000111.6A23 E24 R29 H30 E31 H87 L90 K91 V94A23-L27 WeakPolarHBondContact O-CB 3.4Å; A23-L27 PolarHBondContact O-N 3.22Å; E24-L27 PolarHBondContact O-N 2.97Å; L27-R29 VanDerWaalsContact C-N 3.28Å; L27-R29 PolarHBondContact O-N 3.25Å; L27-H30 CarbonylContact O-C 3.58Å; L27-H30 WeakPolarHBondContact O-CA 3.48Å; L27-H30 WeakPolarHBondContact O-CB 3.44Å; L27-H30 PolarHBondContact O-N 3.32Å; L27-E31 WeakPolarHBondContact O-CG 3.49Å; L27-E31 PolarHBondContact O-N 3.32Å; L27-H87 WeakPolarHBondContact CD1-ND1 3.46Å; L27-L90 HydrophobicContact CB-CB 4.32Å; L27-L90 HydrophobicContact CD1-CB 3.87Å; L27-K91 HydrophobicContact CD1-CB 4.28Å; L27-K91 HydrophobicContact CD2-CB 4.43Å; L27-V94 HydrophobicContact CB-CG2 4.45Å; L27-V94 HydrophobicContact CD2-CG2 4.06Å
28K83.8Confident82.9Confident111 Ų11168.1 Ų68.148%0.48335%0.345SS..Hα-helixtrans-57-39.1176.9-73.3163.1179.5158.90112.3E24 A32E24-K28 WeakPolarHBondContact O-CB 3.28Å; E24-K28 WeakPolarHBondContact O-CG 3.2Å; E24-K28 PolarHBondContact O-N 3.25Å; E24-K28 IonicContact OE2-NZ 3.18Å; E24-K28 PolarHBondContact OE2-NZ 2.62Å; K28-A32 PolarHBondContact O-N 3.12Å; K28-A32 VanDerWaalsContact O-N 3.08Å
29R83.8Confident83Confident177 Ų17765.6 Ų65.667%0.66834%0.337SS*.Hα-helixtrans-68.4-34.5176.3-174.2179.1-176.6164.44.5112.5F10 N25 Q26 L27 F33F10-R29 HydrophobicContact CZ-CG 4.35Å; N25-R29 VanDerWaalsContact O-CB 3.23Å; N25-R29 WeakPolarHBondContact O-CB 3.48Å; N25-R29 PolarHBondContact O-N 3.42Å; N25-R29 VanDerWaalsContact O-N 3.11Å; Q26-R29 PolarHBondContact O-N 3.42Å; L27-R29 VanDerWaalsContact C-N 3.28Å; L27-R29 PolarHBondContact O-N 3.25Å; R29-F33 PolarHBondContact O-N 3Å
30H85.3Confident83Confident10 Ų1063.6 Ų63.65%0.04633%0.326CS..Hα-helixtrans-77.8-35.4178.4-168.175.1000112.4F10 Q26 L27 F33 L34 A83 H87 L90F10-H30 AromaticContact CE1-ND1 3.66Å; Q26-H30 WeakPolarHBondContact O-CB 3.36Å; Q26-H30 PolarHBondContact O-N 2.74Å; L27-H30 CarbonylContact O-C 3.58Å; L27-H30 WeakPolarHBondContact O-CA 3.48Å; L27-H30 WeakPolarHBondContact O-CB 3.44Å; L27-H30 PolarHBondContact O-N 3.32Å; H30-F33 WeakPolarHBondContact O-CB 3.45Å; H30-F33 PolarHBondContact O-N 3.24Å; H30-L34 PolarHBondContact O-N 3.46Å; H30-A83 PolarHBondContact NE2-O 3.14Å; H30-H87 PolarHBondContact NE2-N 3.34Å; H30-L90 HydrophobicContact CB-CD1 3.84Å
31E84.1Confident83Confident80 Ų8063.6 Ų63.637%0.37433%0.326SS..Hα-helixtrans-60.3-48.1169.1-72.8171.6166.600111.5L27 F33 L34 T35 H87L27-E31 WeakPolarHBondContact O-CG 3.49Å; L27-E31 PolarHBondContact O-N 3.32Å; E31-F33 PolarHBondContact O-N 3.41Å; E31-L34 WeakPolarHBondContact O-CB 3.43Å; E31-L34 PolarHBondContact O-N 3.26Å; E31-L34 VanDerWaalsContact O-N 3.08Å; E31-T35 PolarHBondContact O-N 3.19Å; E31-T35 PolarHBondContact O-OG1 3.31Å; E31-H87 IonicContact OE1-CE1 3.89Å; E31-H87 PolarHBondContact OE1-CE1 3.39Å
32A83.6Confident82.9Confident58 Ų5862.1 Ų62.148%0.47932%0.322SS..Hα-helixtrans-59-35.9174.500000112.2K28 T36K28-A32 PolarHBondContact O-N 3.12Å; K28-A32 VanDerWaalsContact O-N 3.08Å; A32-T36 WeakPolarHBondContact O-CG2 3.31Å; A32-T36 PolarHBondContact O-N 3.46Å
33F86.7Confident82.8Confident21 Ų2164.8 Ų64.89%0.09233%0.333CS..Hα-helixtrans-65.4-45.8172.7170.9-98000112Q7 F10 L11 R29 H30 E31 T35 T36 M37 A83Q7-F33 HydrophobicContact CB-CE2 4.42Å; Q7-F33 HydrophobicContact CB-CZ 3.94Å; Q7-F33 HydrophobicContact CG-CE2 4.23Å; Q7-F33 HydrophobicContact CG-CZ 3.98Å; F10-F33 HydrophobicContact CB-CD2 3.96Å; F10-F33 HydrophobicContact CB-CE2 3.53Å; F10-F33 HydrophobicContact CB-CZ 3.92Å; F10-F33 HydrophobicContact CD1-CB 4.02Å; F10-F33 AromaticContact CD1-CD1 3.56Å; F10-F33 HydrophobicContact CD1-CD1 3.56Å; F10-F33 AromaticContact CD1-CD2 3.49Å; F10-F33 HydrophobicContact CD1-CD2 3.49Å; F10-F33 VanDerWaalsContact CD1-CD2 3.49Å; F10-F33 AromaticContact CD1-CE1 3.83Å; F10-F33 HydrophobicContact CD1-CE1 3.83Å; F10-F33 AromaticContact CD1-CE2 3.76Å; F10-F33 HydrophobicContact CD1-CE2 3.76Å; F10-F33 AromaticContact CD1-CG 3.38Å; F10-F33 HydrophobicContact CD1-CG 3.38Å; F10-F33 AromaticContact CD1-CZ 3.91Å; F10-F33 HydrophobicContact CD1-CZ 3.91Å; F10-F33 AromaticContact CD2-CD2 3.88Å; F10-F33 HydrophobicContact CD2-CD2 3.88Å; F10-F33 HydrophobicContact CD2-CE2 4.34Å; F10-F33 HydrophobicContact CD2-CG 4.36Å; F10-F33 HydrophobicContact CE1-CB 3.48Å; F10-F33 VanDerWaalsContact CE1-CB 3.48Å; F10-F33 AromaticContact CE1-CD1 3.71Å; F10-F33 HydrophobicContact CE1-CD1 3.71Å; F10-F33 AromaticContact CE1-CD2 3.89Å; F10-F33 HydrophobicContact CE1-CD2 3.89Å; F10-F33 HydrophobicContact CE1-CE1 4.42Å; F10-F33 AromaticContact CE1-CG 3.39Å; F10-F33 HydrophobicContact CE1-CG 3.39Å; F10-F33 HydrophobicContact CE2-CB 4.22Å; F10-F33 HydrophobicContact CE2-CD2 4.24Å; F10-F33 HydrophobicContact CE2-CG 4.37Å; F10-F33 HydrophobicContact CG-CD1 4.38Å; F10-F33 AromaticContact CG-CD2 3.49Å; F10-F33 HydrophobicContact CG-CD2 3.49Å; F10-F33 VanDerWaalsContact CG-CD2 3.49Å; F10-F33 HydrophobicContact CG-CE1 4.5Å; F10-F33 AromaticContact CG-CE2 3.62Å; F10-F33 HydrophobicContact CG-CE2 3.62Å; F10-F33 AromaticContact CG-CG 3.9Å; F10-F33 HydrophobicContact CG-CG 3.9Å; F10-F33 HydrophobicContact CG-CZ 4.13Å; F10-F33 HydrophobicContact CZ-CB 3.6Å; F10-F33 HydrophobicContact CZ-CD2 4.24Å; F10-F33 AromaticContact CZ-CG 3.91Å; F10-F33 HydrophobicContact CZ-CG 3.91Å; L11-F33 HydrophobicContact CD1-CE1 4.25Å; L11-F33 HydrophobicContact CD1-CZ 4.35Å; L11-F33 HydrophobicContact CD2-CD1 4.46Å; L11-F33 HydrophobicContact CD2-CE1 3.75Å; L11-F33 HydrophobicContact CD2-CZ 4.41Å; L11-F33 HydrophobicContact CG-CE1 3.92Å; L11-F33 HydrophobicContact CG-CZ 4.08Å; R29-F33 PolarHBondContact O-N 3Å; H30-F33 WeakPolarHBondContact O-CB 3.45Å; H30-F33 PolarHBondContact O-N 3.24Å; E31-F33 PolarHBondContact O-N 3.41Å; F33-T35 VanDerWaalsContact C-N 3.34Å; F33-T35 PolarHBondContact O-N 3.2Å; F33-T36 CarbonylContact O-C 3.57Å; F33-T36 PolarHBondContact O-N 2.81Å; F33-T36 VanDerWaalsContact O-N 3.08Å; F33-T36 PolarHBondContact O-OG1 3.47Å; F33-M37 HydrophobicContact CE1-CG 4.2Å; F33-M37 HydrophobicContact CE1-SD 3.71Å; F33-M37 HydrophobicContact CZ-CG 4.09Å; F33-M37 HydrophobicContact CZ-SD 3.89Å; F33-M37 PolarHBondContact O-N 2.9Å; F33-A83 HydrophobicContact CE1-CB 4.28Å
34L83.7Confident82.8Confident30 Ų3065.6 Ų65.616%0.15734%0.337CS..Hα-helixtrans-55.8-45.8175.5-76.5169.7000111.9H30 E31 T36 M37 E38 A83 H87H30-L34 PolarHBondContact O-N 3.46Å; E31-L34 WeakPolarHBondContact O-CB 3.43Å; E31-L34 PolarHBondContact O-N 3.26Å; E31-L34 VanDerWaalsContact O-N 3.08Å; L34-T36 VanDerWaalsContact C-N 3.31Å; L34-T36 PolarHBondContact O-N 3.15Å; L34-M37 WeakPolarHBondContact O-CA 3.38Å; L34-M37 WeakPolarHBondContact O-CB 3.39Å; L34-M37 PolarHBondContact O-N 3.3Å; L34-E38 PolarHBondContact O-N 3.4Å; L34-A83 HydrophobicContact CD2-CB 3.59Å; L34-H87 HydrophobicContact CD1-CB 4.04Å
35T82.9Confident82.9Confident90 Ų9065 Ų6555%0.55234%0.336SS*.Hα-helixtrans-61-38.9176.1-43.90000112.1E31 F33 M37 A39E31-T35 PolarHBondContact O-N 3.19Å; E31-T35 PolarHBondContact O-OG1 3.31Å; F33-T35 VanDerWaalsContact C-N 3.34Å; F33-T35 PolarHBondContact O-N 3.2Å; T35-M37 VanDerWaalsContact C-N 3.28Å; T35-M37 PolarHBondContact O-N 3.29Å; T35-A39 WeakPolarHBondContact O-CB 3.47Å; T35-A39 PolarHBondContact O-N 2.93Å; T35-A39 VanDerWaalsContact O-N 3.12Å
36T82.3Confident82.9Confident76 Ų7664.7 Ų64.747%0.46634%0.338SS..Hα-helixtrans-71.4-22.1172.765.10000113.4A32 F33 L34 N40A32-T36 WeakPolarHBondContact O-CG2 3.31Å; A32-T36 PolarHBondContact O-N 3.46Å; F33-T36 CarbonylContact O-C 3.57Å; F33-T36 PolarHBondContact O-N 2.81Å; F33-T36 VanDerWaalsContact O-N 3.08Å; F33-T36 PolarHBondContact O-OG1 3.47Å; L34-T36 VanDerWaalsContact C-N 3.31Å; L34-T36 PolarHBondContact O-N 3.15Å; T36-N40 WeakPolarHBondContact O-CB 3.44Å; T36-N40 PolarHBondContact O-N 3.01Å; T36-N40 PolarHBondContact O-ND2 3.38Å
37M83.1Confident82.9Confident8 Ų867.5 Ų67.54%0.03935%0.353CS..Hα-helixtrans-70.5-50.5173.3-118.9-170.780.500110.4Q7 F33 L34 T35 N40 D41 N79 R80 A83Q7-M37 HydrophobicContact CG-CG 3.82Å; Q7-M37 HydrophobicContact CG-SD 4.23Å; Q7-M37 VanDerWaalsContact NE2-CG 3.28Å; F33-M37 HydrophobicContact CE1-CG 4.2Å; F33-M37 HydrophobicContact CE1-SD 3.71Å; F33-M37 HydrophobicContact CZ-CG 4.09Å; F33-M37 HydrophobicContact CZ-SD 3.89Å; F33-M37 PolarHBondContact O-N 2.9Å; L34-M37 WeakPolarHBondContact O-CA 3.38Å; L34-M37 WeakPolarHBondContact O-CB 3.39Å; L34-M37 PolarHBondContact O-N 3.3Å; T35-M37 VanDerWaalsContact C-N 3.28Å; T35-M37 PolarHBondContact O-N 3.29Å; M37-N40 PolarHBondContact O-N 3.41Å; M37-N40 VanDerWaalsContact O-N 3.15Å; M37-D41 PolarHBondContact O-N 3.37Å; M37-D41 VanDerWaalsContact O-N 3.1Å; M37-N79 HydrophobicContact CE-CB 4.42Å; M37-R80 HydrophobicContact CE-CB 3.81Å; M37-R80 HydrophobicContact CE-CG 4.12Å; M37-A83 HydrophobicContact SD-CB 4.04Å
38E80.1Confident82.9Confident123 Ų12367.3 Ų67.358%0.57535%0.352SS*.Hα-helixtrans-59.7-49.3178.1-66.8178.8152.800112L34 N40 D41L34-E38 PolarHBondContact O-N 3.4Å; E38-N40 PolarHBondContact O-N 2.89Å; E38-D41 WeakPolarHBondContact O-CB 3.48Å; E38-D41 PolarHBondContact O-N 3.2Å
39A79.1Confident82.8Confident61 Ų6168.3 Ų68.350%0.50436%0.359SS..Hα-helixtrans-65.3-9.7178.500000114.7T35T35-A39 WeakPolarHBondContact O-CB 3.47Å; T35-A39 PolarHBondContact O-N 2.93Å; T35-A39 VanDerWaalsContact O-N 3.12Å
40N80.8Confident82.8Confident37 Ų3763.9 Ų63.920%0.19835%0.351CS..Hα-helixtrans-103.1-14.3172.1-76-46.5000113.1L3 T36 M37 E38 K43 I44L3-N40 HydrophobicContact CD1-CB 3.8Å; L3-N40 HydrophobicContact CD2-CB 3.68Å; L3-N40 HydrophobicContact CG-CB 4.34Å; T36-N40 WeakPolarHBondContact O-CB 3.44Å; T36-N40 PolarHBondContact O-N 3.01Å; T36-N40 PolarHBondContact O-ND2 3.38Å; M37-N40 PolarHBondContact O-N 3.41Å; M37-N40 VanDerWaalsContact O-N 3.15Å; E38-N40 PolarHBondContact O-N 2.89Å; N40-K43 PolarHBondContact O-N 3.35Å; N40-K43 PolarHBondContact OD1-NZ 3.36Å; N40-I44 PolarHBondContact O-N 3.35Å
41D82Confident82.6Confident28 Ų2864 Ų6415%0.1535%0.353CS..Hα-helixtrans-66.7-40.3179.8-149.363.4000111.1M37 E38 K43 I44 N45 R76M37-D41 PolarHBondContact O-N 3.37Å; M37-D41 VanDerWaalsContact O-N 3.1Å; E38-D41 WeakPolarHBondContact O-CB 3.48Å; E38-D41 PolarHBondContact O-N 3.2Å; D41-K43 PolarHBondContact O-N 3.13Å; D41-K43 VanDerWaalsContact O-N 3.13Å; D41-I44 CarbonylContact O-C 3.52Å; D41-I44 WeakPolarHBondContact O-CA 3.45Å; D41-I44 WeakPolarHBondContact O-CB 3.36Å; D41-I44 PolarHBondContact O-N 3.06Å; D41-N45 VanDerWaalsContact O-CG 3.27Å; D41-N45 PolarHBondContact O-N 3.35Å; D41-N45 PolarHBondContact O-ND2 3.46Å; D41-N45 VanDerWaalsContact O-ND2 3.16Å; D41-N45 PolarHBondContact OD2-ND2 3.49Å; D41-R76 WeakPolarHBondContact OD1-CD 3.46Å; D41-R76 WeakPolarHBondContact OD1-CG 3.44Å; D41-R76 IonicContact OD2-NH1 2.81Å
42D79.3Confident82.5Confident112 Ų11264.2 Ų64.260%0.59936%0.357SS*.Hα-helixtrans-51.6-38.5173.1-67.8-27.6000112.9T46D42-T46 WeakPolarHBondContact O-CB 3.49Å; D42-T46 PolarHBondContact O-N 3.13Å; D42-T46 PolarHBondContact O-OG1 3.29Å
43K80.6Confident82.5Confident129 Ų12964.1 Ų64.156%0.56135%0.351SS*.Hα-helixtrans-73.1-32.8179.5-61170.2-167.9154.10111.7N40 D41 L47N40-K43 PolarHBondContact O-N 3.35Å; N40-K43 PolarHBondContact OD1-NZ 3.36Å; D41-K43 PolarHBondContact O-N 3.13Å; D41-K43 VanDerWaalsContact O-N 3.13Å; K43-L47 WeakPolarHBondContact O-CB 3.13Å; K43-L47 PolarHBondContact O-N 3.42Å
44I83.2Confident82.2Confident16 Ų1666.1 Ų66.18%0.08236%0.362CS..Hα-helixtrans-71.8-48.9174.7-63.3173.3000109.1L3 L4 N40 D41 T46 L47 L48 I72L3-I44 HydrophobicContact CD2-CD1 4.5Å; L4-I44 HydrophobicContact CD2-CD1 3.74Å; L4-I44 HydrophobicContact CG-CD1 4.33Å; N40-I44 PolarHBondContact O-N 3.35Å; D41-I44 CarbonylContact O-C 3.52Å; D41-I44 WeakPolarHBondContact O-CA 3.45Å; D41-I44 WeakPolarHBondContact O-CB 3.36Å; D41-I44 PolarHBondContact O-N 3.06Å; I44-T46 PolarHBondContact O-N 2.95Å; I44-L47 WeakPolarHBondContact O-CB 3.34Å; I44-L47 PolarHBondContact O-N 3.07Å; I44-L48 HydrophobicContact CG2-CD1 4.03Å; I44-L48 HydrophobicContact CG2-CG 4.38Å; I44-L48 WeakPolarHBondContact O-CG 3.49Å; I44-L48 PolarHBondContact O-N 2.9Å; I44-I72 HydrophobicContact CG2-CG2 3.77Å
45N83.4Confident82Confident49 Ų4967.3 Ų67.326%0.26237%0.37SS..Hα-helixtrans-61.4-40.6179.2-62.8-33.6000111.9D41 L47 L48 Q49 R76D41-N45 VanDerWaalsContact O-CG 3.27Å; D41-N45 PolarHBondContact O-N 3.35Å; D41-N45 PolarHBondContact O-ND2 3.46Å; D41-N45 VanDerWaalsContact O-ND2 3.16Å; D41-N45 PolarHBondContact OD2-ND2 3.49Å; N45-L47 VanDerWaalsContact C-N 3.34Å; N45-L47 PolarHBondContact O-N 3.32Å; N45-L48 PolarHBondContact O-N 3.47Å; N45-Q49 PolarHBondContact O-N 3.05Å; N45-R76 PolarHBondContact OD1-NH1 3.07Å
46T83.4Confident82Confident83 Ų8370.7 Ų70.751%0.50938%0.38SS..Hα-helixtrans-60-42.3171.7-53.60000112D42 I44 Q49 V50D42-T46 WeakPolarHBondContact O-CB 3.49Å; D42-T46 PolarHBondContact O-N 3.13Å; D42-T46 PolarHBondContact O-OG1 3.29Å; I44-T46 PolarHBondContact O-N 2.95Å; T46-Q49 PolarHBondContact O-N 3.37Å; T46-V50 WeakPolarHBondContact O-CG2 3.45Å; T46-V50 PolarHBondContact O-N 3.04Å; T46-V50 VanDerWaalsContact O-N 3.11Å
47L84.4Confident82Confident98 Ų9874.4 Ų74.451%0.51339%0.39SS..Hα-helixtrans-70.2-34.4179.7-178.5141.8000112.2K43 I44 N45 A51 I72K43-L47 WeakPolarHBondContact O-CB 3.13Å; K43-L47 PolarHBondContact O-N 3.42Å; I44-L47 WeakPolarHBondContact O-CB 3.34Å; I44-L47 PolarHBondContact O-N 3.07Å; N45-L47 VanDerWaalsContact C-N 3.34Å; N45-L47 PolarHBondContact O-N 3.32Å; L47-A51 WeakPolarHBondContact O-CB 3.42Å; L47-A51 PolarHBondContact O-N 2.93Å; L47-I72 HydrophobicContact CD2-CD1 4.15Å
48L84.8Confident81.6Confident16 Ų1681.3 Ų81.38%0.08443%0.427CS..Hα-helixtrans-65.2-48.1172.3-67.7171.9000110.9I44 N45 V50 A51 D52 A69 I72 T73I44-L48 HydrophobicContact CG2-CD1 4.03Å; I44-L48 HydrophobicContact CG2-CG 4.38Å; I44-L48 WeakPolarHBondContact O-CG 3.49Å; I44-L48 PolarHBondContact O-N 2.9Å; N45-L48 PolarHBondContact O-N 3.47Å; L48-V50 VanDerWaalsContact C-N 3.29Å; L48-V50 PolarHBondContact O-N 3.49Å; L48-A51 CarbonylContact O-C 3.51Å; L48-A51 WeakPolarHBondContact O-CA 3.48Å; L48-A51 WeakPolarHBondContact O-CB 3.43Å; L48-A51 PolarHBondContact O-N 3.37Å; L48-D52 VanDerWaalsContact O-CG 3.28Å; L48-D52 PolarHBondContact O-N 3.07Å; L48-A69 HydrophobicContact CD2-CB 3.72Å; L48-I72 HydrophobicContact CD2-CG2 4.25Å; L48-T73 WeakPolarHBondContact CD1-OG1 3.42Å; L48-T73 WeakPolarHBondContact CD2-OG1 3.4Å
49Q82.8Confident81.6Confident133 Ų13378.7 Ų78.762%0.62141%0.414SS*.Hα-helixtrans-56.5-40.2174.9-76.5-178.1-13.500113.3N45 T46 T53N45-Q49 PolarHBondContact O-N 3.05Å; T46-Q49 PolarHBondContact O-N 3.37Å; Q49-T53 WeakPolarHBondContact O-CB 3.32Å; Q49-T53 PolarHBondContact O-N 3.36Å; Q49-T53 PolarHBondContact O-OG1 3.2Å
50V82.5Confident81.5Confident84 Ų8484 Ų8451%0.50943%0.427SS..Hα-helixtrans-67.1-38174.81720000111.4T46 L48 L54T46-V50 WeakPolarHBondContact O-CG2 3.45Å; T46-V50 PolarHBondContact O-N 3.04Å; T46-V50 VanDerWaalsContact O-N 3.11Å; L48-V50 VanDerWaalsContact C-N 3.29Å; L48-V50 PolarHBondContact O-N 3.49Å; V50-L54 HydrophobicContact CG1-CD1 4.15Å; V50-L54 WeakPolarHBondContact O-CD1 3.36Å; V50-L54 VanDerWaalsContact O-CG 3.27Å; V50-L54 WeakPolarHBondContact O-CG 3.42Å; V50-L54 PolarHBondContact O-N 3.49Å; V50-L54 VanDerWaalsContact O-N 3.15Å
51A80.9Confident81.3Confident11 Ų1184.8 Ų84.89%0.09143%0.431CS..Hα-helixtrans-64.2-47174.900000111.6L47 L48 T53 L54 V55 I65 A69L47-A51 WeakPolarHBondContact O-CB 3.42Å; L47-A51 PolarHBondContact O-N 2.93Å; L48-A51 CarbonylContact O-C 3.51Å; L48-A51 WeakPolarHBondContact O-CA 3.48Å; L48-A51 WeakPolarHBondContact O-CB 3.43Å; L48-A51 PolarHBondContact O-N 3.37Å; A51-T53 PolarHBondContact O-N 3.26Å; A51-L54 WeakPolarHBondContact O-CB 3.19Å; A51-L54 PolarHBondContact O-N 3.3Å; A51-L54 VanDerWaalsContact O-N 3.12Å; A51-V55 WeakPolarHBondContact O-CG2 3.44Å; A51-V55 PolarHBondContact O-N 2.89Å; A51-I65 HydrophobicContact CB-CG2 3.7Å; A51-A69 HydrophobicContact CB-CB 4Å
52D82.8Confident81.1Confident85 Ų8584.3 Ų84.346%0.45543%0.43SS..Hα-helixtrans-61.2-45.7177.8-61.9-27.5000110.9L48 L54 V55 E56L48-D52 VanDerWaalsContact O-CG 3.28Å; L48-D52 PolarHBondContact O-N 3.07Å; D52-L54 PolarHBondContact O-N 3.45Å; D52-V55 PolarHBondContact O-N 3.36Å; D52-E56 PolarHBondContact O-N 2.95Å
53T83.4Confident81Confident57 Ų5784.7 Ų84.735%0.3543%0.432SS..Hα-helixtrans-60.1-29.8175.8-53.80000112.8Q49 A51 K57Q49-T53 WeakPolarHBondContact O-CB 3.32Å; Q49-T53 PolarHBondContact O-N 3.36Å; Q49-T53 PolarHBondContact O-OG1 3.2Å; A51-T53 PolarHBondContact O-N 3.26Å; T53-K57 HydrophobicContact CG2-CD 4.24Å; T53-K57 WeakPolarHBondContact O-CD 3.45Å; T53-K57 VanDerWaalsContact O-CG 3.28Å; T53-K57 WeakPolarHBondContact O-CG 3.43Å
54L80.4Confident81.1Confident63 Ų6385.2 Ų85.233%0.3344%0.435SS..Hα-helixtrans-80.3-30.5175.8-72.8167.9000112.1V50 A51 D52 H59 I65V50-L54 HydrophobicContact CG1-CD1 4.15Å; V50-L54 WeakPolarHBondContact O-CD1 3.36Å; V50-L54 VanDerWaalsContact O-CG 3.27Å; V50-L54 WeakPolarHBondContact O-CG 3.42Å; V50-L54 PolarHBondContact O-N 3.49Å; V50-L54 VanDerWaalsContact O-N 3.15Å; A51-L54 WeakPolarHBondContact O-CB 3.19Å; A51-L54 PolarHBondContact O-N 3.3Å; A51-L54 VanDerWaalsContact O-N 3.12Å; D52-L54 PolarHBondContact O-N 3.45Å; L54-H59 HydrophobicContact CB-CB 4.38Å; L54-H59 WeakPolarHBondContact O-CB 3.3Å; L54-H59 PolarHBondContact O-N 3.42Å; L54-I65 HydrophobicContact CB-CD1 4.3Å; L54-I65 HydrophobicContact CD1-CD1 4.5Å
55V80.1Confident81Confident54 Ų5486.3 Ų86.333%0.32744%0.44SS..Hα-helixtrans-69.8-46.3172.2173.30000110.6A51 D52 K57 D58 A62 I65A51-V55 WeakPolarHBondContact O-CG2 3.44Å; A51-V55 PolarHBondContact O-N 2.89Å; D52-V55 PolarHBondContact O-N 3.36Å; V55-K57 PolarHBondContact O-N 3.44Å; V55-K57 VanDerWaalsContact O-N 3.15Å; V55-D58 PolarHBondContact O-N 3.11Å; V55-A62 HydrophobicContact CB-CB 4.49Å; V55-A62 HydrophobicContact CG2-CB 4.26Å; V55-I65 HydrophobicContact CG2-CB 4.37Å; V55-I65 HydrophobicContact CG2-CG2 4.15Å
56E81.9Confident80.8Confident161 Ų16184.9 Ų84.975%0.75244%0.437SS*.THydrogen-bonded Turntrans-60.6-22.7177.2-72.9-175.6160.300114.3D52D52-E56 PolarHBondContact O-N 2.95Å
57K83Confident80.7Confident155 Ų15587.2 Ų87.267%0.67444%0.44SS*.THydrogen-bonded Turntrans-96.417.8-179-71.3176.5-177.6171.80113.7T53 V55 H59T53-K57 HydrophobicContact CG2-CD 4.24Å; T53-K57 WeakPolarHBondContact O-CD 3.45Å; T53-K57 VanDerWaalsContact O-CG 3.28Å; T53-K57 WeakPolarHBondContact O-CG 3.43Å; V55-K57 PolarHBondContact O-N 3.44Å; V55-K57 VanDerWaalsContact O-N 3.15Å; K57-H59 PolarHBondContact O-N 3.44Å
58D74.7Confident80.7Confident152 Ų15289.5 Ų89.581%0.81344%0.442SS*.THydrogen-bonded Turntrans48.342.3-178.1-75.7-42.8000112.8V55 F60V55-D58 PolarHBondContact O-N 3.11Å; D58-F60 PolarHBondContact O-N 2.94Å
59H79.3Confident80.5Confident68 Ų6889 Ų8932%0.31544%0.441SS..  trans-58.5141.6176.7-174.1-95.7000110.3L54 K57 D61 A62L54-H59 HydrophobicContact CB-CB 4.38Å; L54-H59 WeakPolarHBondContact O-CB 3.3Å; L54-H59 PolarHBondContact O-N 3.42Å; K57-H59 PolarHBondContact O-N 3.44Å; H59-D61 PolarHBondContact ND1-N 3.35Å; H59-D61 PolarHBondContact O-N 3.36Å; H59-A62 WeakPolarHBondContact O-CB 3.37Å; H59-A62 PolarHBondContact O-N 3.11Å
60F78.4Confident80.5Confident174 Ų17489.3 Ų89.376%0.76344%0.442SS*.THydrogen-bonded Turntrans-58.3-15.4-170.871.9-92.9000115.6D58D58-F60 PolarHBondContact O-N 2.94Å
61D76.7Confident80.7Confident53 Ų5389.6 Ų89.628%0.28344%0.44SS..THydrogen-bonded Turntrans-119.516.5178.1-104.7-19.4000113.1H59 D63 K64 I65H59-D61 PolarHBondContact ND1-N 3.35Å; H59-D61 PolarHBondContact O-N 3.36Å; D61-D63 VanDerWaalsContact C-N 3.27Å; D61-D63 PolarHBondContact O-N 3.32Å; D61-D63 VanDerWaalsContact O-N 3.16Å; D61-K64 WeakPolarHBondContact O-CB 3.48Å; D61-K64 PolarHBondContact O-N 3.42Å; D61-K64 WeakPolarHBondContact OD1-CD 3.42Å; D61-K64 WeakPolarHBondContact OD1-CE 3.49Å; D61-K64 IonicContact OD1-NZ 3.26Å; D61-K64 PolarHBondContact OD1-NZ 2.99Å; D61-K64 IonicContact OD2-NZ 2.87Å; D61-I65 PolarHBondContact O-N 2.66Å; D61-I65 VanDerWaalsContact O-N 3.07Å
62A77.4Confident80.9Confident17 Ų1789.8 Ų89.814%0.1444%0.44CS..Hα-helixtrans-48.3-44.7-175.700000113.2V55 H59 K64 I65 G66V55-A62 HydrophobicContact CB-CB 4.49Å; V55-A62 HydrophobicContact CG2-CB 4.26Å; H59-A62 WeakPolarHBondContact O-CB 3.37Å; H59-A62 PolarHBondContact O-N 3.11Å; A62-K64 PolarHBondContact O-N 3.03Å; A62-I65 PolarHBondContact O-N 3.11Å; A62-G66 PolarHBondContact O-N 3Å
63D78Confident81Confident121 Ų12187.9 Ų87.965%0.64743%0.431SS*.Hα-helixtrans-60.5-28.8179.8-138.749.5000113.6D61 K67D61-D63 VanDerWaalsContact C-N 3.27Å; D61-D63 PolarHBondContact O-N 3.32Å; D61-D63 VanDerWaalsContact O-N 3.16Å; D63-K67 WeakPolarHBondContact O-CD 3.45Å; D63-K67 WeakPolarHBondContact O-CG 3.38Å; D63-K67 IonicContact OD2-NZ 2.67Å; D63-K67 PolarHBondContact OD2-NZ 3.27Å
64K81Confident81Confident139 Ų13986.9 Ų86.960%0.60443%0.432SS*.Hα-helixtrans-85.9-32.6173.7-61.6-179.3-167.3137.70112.1D61 A62 R68D61-K64 WeakPolarHBondContact O-CB 3.48Å; D61-K64 PolarHBondContact O-N 3.42Å; D61-K64 WeakPolarHBondContact OD1-CD 3.42Å; D61-K64 WeakPolarHBondContact OD1-CE 3.49Å; D61-K64 IonicContact OD1-NZ 3.26Å; D61-K64 PolarHBondContact OD1-NZ 2.99Å; D61-K64 IonicContact OD2-NZ 2.87Å; A62-K64 PolarHBondContact O-N 3.03Å; K64-R68 WeakPolarHBondContact O-CB 3.5Å; K64-R68 PolarHBondContact O-N 3.42Å
65I80.9Confident81.4Confident40 Ų4086.6 Ų86.621%0.20543%0.427CS..Hα-helixtrans-66.9-50.9177.6-66.9169.3000109.4A51 L54 V55 D61 A62 R68 A69A51-I65 HydrophobicContact CB-CG2 3.7Å; L54-I65 HydrophobicContact CB-CD1 4.3Å; L54-I65 HydrophobicContact CD1-CD1 4.5Å; V55-I65 HydrophobicContact CG2-CB 4.37Å; V55-I65 HydrophobicContact CG2-CG2 4.15Å; D61-I65 PolarHBondContact O-N 2.66Å; D61-I65 VanDerWaalsContact O-N 3.07Å; A62-I65 PolarHBondContact O-N 3.11Å; I65-R68 PolarHBondContact O-N 2.73Å; I65-R68 VanDerWaalsContact O-N 3.12Å; I65-A69 PolarHBondContact O-N 3.25Å
66G79.3Confident81.6Confident19 Ų1986.2 Ų86.220%0.19642%0.42CS..Hα-helixtrans-56.8-52.8178.100000112.9A62 R68 A69 E70A62-G66 PolarHBondContact O-N 3Å; G66-R68 PolarHBondContact O-N 3.15Å; G66-R68 VanDerWaalsContact O-N 3.11Å; G66-A69 WeakPolarHBondContact O-CB 3.47Å; G66-A69 PolarHBondContact O-N 3.4Å; G66-E70 WeakPolarHBondContact O-CG 3.46Å; G66-E70 PolarHBondContact O-N 3.29Å
67K82.5Confident81.7Confident131 Ų13181.8 Ų81.857%0.5740%0.401SS*.Hα-helixtrans-58.1-29.1176.9-73.7172.7-175.3154.10113.7D63 N71D63-K67 WeakPolarHBondContact O-CD 3.45Å; D63-K67 WeakPolarHBondContact O-CG 3.38Å; D63-K67 IonicContact OD2-NZ 2.67Å; D63-K67 PolarHBondContact OD2-NZ 3.27Å; K67-N71 PolarHBondContact O-N 3.19Å
68R83.6Confident81.8Confident146 Ų14678.9 Ų78.955%0.55139%0.393SS*.Hα-helixtrans-83.1-33.5177.8-160.4167.5-169.6161.34112.2E1 K64 I65 G66 I72E1-R68 VanDerWaalsContact CD-NH2 3.28Å; E1-R68 IonicContact OE1-CZ 2.72Å; E1-R68 IonicContact OE1-NE 2.91Å; E1-R68 PolarHBondContact OE1-NE 2.92Å; E1-R68 IonicContact OE1-NH2 3.82Å; E1-R68 PolarHBondContact OE1-NH2 3.09Å; E1-R68 IonicContact OE2-CZ 3.64Å; E1-R68 IonicContact OE2-NH2 3.85Å; E1-R68 PolarHBondContact OE2-NH2 3.36Å; K64-R68 WeakPolarHBondContact O-CB 3.5Å; K64-R68 PolarHBondContact O-N 3.42Å; I65-R68 PolarHBondContact O-N 2.73Å; I65-R68 VanDerWaalsContact O-N 3.12Å; G66-R68 PolarHBondContact O-N 3.15Å; G66-R68 VanDerWaalsContact O-N 3.11Å; R68-I72 WeakPolarHBondContact O-CD1 3.44Å; R68-I72 VanDerWaalsContact O-CG1 3.28Å; R68-I72 WeakPolarHBondContact O-CG1 3.47Å; R68-I72 PolarHBondContact O-N 3.24Å; R68-I72 VanDerWaalsContact O-N 3.14Å
69A81.5Confident82.4Confident7 Ų771.8 Ų71.86%0.05836%0.355CS..Hα-helixtrans-61.5-50.7168.300000110.7L48 A51 I65 G66 N71 I72 T73L48-A69 HydrophobicContact CD2-CB 3.72Å; A51-A69 HydrophobicContact CB-CB 4Å; I65-A69 PolarHBondContact O-N 3.25Å; G66-A69 WeakPolarHBondContact O-CB 3.47Å; G66-A69 PolarHBondContact O-N 3.4Å; A69-N71 VanDerWaalsContact C-N 3.33Å; A69-N71 PolarHBondContact O-N 3.39Å; A69-I72 WeakPolarHBondContact O-CB 3.46Å; A69-I72 PolarHBondContact O-N 3.42Å; A69-T73 PolarHBondContact O-N 3.36Å; A69-T73 PolarHBondContact O-OG1 3.46Å; A69-T73 VanDerWaalsContact O-OG1 3.12Å
70E81.9Confident82.7Confident139 Ų13974.6 Ų74.665%0.6536%0.363SS*.Hα-helixtrans-54.2-44.8175.6-71.9178.5159.900112.7G66 I72 T73 G74G66-E70 WeakPolarHBondContact O-CG 3.46Å; G66-E70 PolarHBondContact O-N 3.29Å; E70-I72 VanDerWaalsContact C-N 3.33Å; E70-I72 PolarHBondContact O-N 3.09Å; E70-T73 PolarHBondContact O-N 2.75Å; E70-G74 PolarHBondContact O-N 3.5Å
71N87Confident83Confident89 Ų8971.3 Ų71.348%0.47635%0.35SS..Hα-helixtrans-65.1-35.2177.6-172.1-101.6000113.1K67 A69 R75K67-N71 PolarHBondContact O-N 3.19Å; A69-N71 VanDerWaalsContact C-N 3.33Å; A69-N71 PolarHBondContact O-N 3.39Å; N71-R75 WeakPolarHBondContact O-CG 3.29Å; N71-R75 PolarHBondContact O-N 3.34Å
72I85.7Confident83.3Confident16 Ų1675.3 Ų75.38%0.08236%0.361CS..Hα-helixtrans-68.9-42.8175.8-74.3169.5000110.3E1 L4 I44 L47 L48 R68 A69 E70 R76E1-I72 HydrophobicContact CG-CG1 4.32Å; L4-I72 HydrophobicContact CD1-CG2 4.16Å; L4-I72 WeakPolarHBondContact CD1-O 3.38Å; I44-I72 HydrophobicContact CG2-CG2 3.77Å; L47-I72 HydrophobicContact CD2-CD1 4.15Å; L48-I72 HydrophobicContact CD2-CG2 4.25Å; R68-I72 WeakPolarHBondContact O-CD1 3.44Å; R68-I72 VanDerWaalsContact O-CG1 3.28Å; R68-I72 WeakPolarHBondContact O-CG1 3.47Å; R68-I72 PolarHBondContact O-N 3.24Å; R68-I72 VanDerWaalsContact O-N 3.14Å; A69-I72 WeakPolarHBondContact O-CB 3.46Å; A69-I72 PolarHBondContact O-N 3.42Å; E70-I72 VanDerWaalsContact C-N 3.33Å; E70-I72 PolarHBondContact O-N 3.09Å; I72-R76 WeakPolarHBondContact O-CB 3.47Å; I72-R76 PolarHBondContact O-N 3.49Å
73T84.3Confident83.6Confident44 Ų4474.5 Ų74.527%0.2735%0.354SS..Hα-helixtrans-62.8-49.6176.5-54.10000111.8L48 A69 E70 R75 R76 D77L48-T73 WeakPolarHBondContact CD1-OG1 3.42Å; L48-T73 WeakPolarHBondContact CD2-OG1 3.4Å; A69-T73 PolarHBondContact O-N 3.36Å; A69-T73 PolarHBondContact O-OG1 3.46Å; A69-T73 VanDerWaalsContact O-OG1 3.12Å; E70-T73 PolarHBondContact O-N 2.75Å; T73-R75 VanDerWaalsContact C-N 3.34Å; T73-R75 PolarHBondContact O-N 3.38Å; T73-R76 VanDerWaalsContact O-CB 3.32Å; T73-R76 WeakPolarHBondContact O-CB 3.28Å; T73-R76 PolarHBondContact O-N 3.01Å; T73-R76 VanDerWaalsContact O-N 3.13Å; T73-D77 PolarHBondContact O-N 3.2Å; T73-D77 VanDerWaalsContact O-N 3.09Å
74G83.6Confident83.9Confident36 Ų3672.6 Ų72.637%0.37134%0.344SS..Hα-helixtrans-59.1-42.4179.500000113.3E70 D77 D78E70-G74 PolarHBondContact O-N 3.5Å; G74-D77 PolarHBondContact O-N 2.82Å; G74-D78 PolarHBondContact O-N 3.05Å; G74-D78 VanDerWaalsContact O-N 3.11Å
75R88.3Confident84.1Confident58 Ų5870.3 Ų70.322%0.21934%0.338CS..Hα-helixtrans-70.2-30.4177-72.2176.967.5-170.61.3113.5L4 S5 E8 N71 T73 N79L4-R75 HydrophobicContact CD1-CB 3.88Å; S5-R75 PolarHBondContact OG-NH2 3.49Å; E8-R75 IonicContact OE1-CZ 3.71Å; E8-R75 IonicContact OE1-NE 3.25Å; E8-R75 PolarHBondContact OE1-NE 3.1Å; E8-R75 IonicContact OE1-NH2 2.81Å; E8-R75 PolarHBondContact OE1-NH2 2.52Å; E8-R75 IonicContact OE2-CZ 2.63Å; E8-R75 IonicContact OE2-NH2 2.74Å; E8-R75 PolarHBondContact OE2-NH2 3.18Å; N71-R75 WeakPolarHBondContact O-CG 3.29Å; N71-R75 PolarHBondContact O-N 3.34Å; T73-R75 VanDerWaalsContact C-N 3.34Å; T73-R75 PolarHBondContact O-N 3.38Å; R75-N79 WeakPolarHBondContact O-CB 3.35Å; R75-N79 VanDerWaalsContact O-CG 3.32Å; R75-N79 PolarHBondContact O-N 3.07Å; R75-N79 PolarHBondContact O-ND2 2.62Å
76R84.6Confident84.2Confident46 Ų4670.2 Ų70.217%0.17434%0.337CS..Hα-helixtrans-61.2-47.5171.5-177.8-156.777.2169-0.6110.4L4 D41 N45 I72 T73 N79 R80L4-R76 HydrophobicContact CD2-CB 4.14Å; D41-R76 WeakPolarHBondContact OD1-CD 3.46Å; D41-R76 WeakPolarHBondContact OD1-CG 3.44Å; D41-R76 IonicContact OD2-NH1 2.81Å; N45-R76 PolarHBondContact OD1-NH1 3.07Å; I72-R76 WeakPolarHBondContact O-CB 3.47Å; I72-R76 PolarHBondContact O-N 3.49Å; T73-R76 VanDerWaalsContact O-CB 3.32Å; T73-R76 WeakPolarHBondContact O-CB 3.28Å; T73-R76 PolarHBondContact O-N 3.01Å; T73-R76 VanDerWaalsContact O-N 3.13Å; R76-N79 PolarHBondContact O-N 3.21Å; R76-R80 WeakPolarHBondContact O-CB 3.41Å; R76-R80 PolarHBondContact O-N 3.35Å
77D84.9Confident84.5Confident67 Ų6771.2 Ų71.236%0.35834%0.336SS..Hα-helixtrans-70.6-43.7-174.2-66.9-20.3000112.2T73 G74 N79 R80 Q81T73-D77 PolarHBondContact O-N 3.2Å; T73-D77 VanDerWaalsContact O-N 3.09Å; G74-D77 PolarHBondContact O-N 2.82Å; D77-N79 VanDerWaalsContact C-N 3.32Å; D77-N79 PolarHBondContact O-N 3.21Å; D77-R80 PolarHBondContact O-N 2.99Å; D77-R80 VanDerWaalsContact O-N 3.15Å; D77-Q81 PolarHBondContact O-N 2.69Å
78D85.2Confident84.6Confident95 Ų9570.5 Ų70.551%0.50834%0.335SS..Hα-helixtrans-57.2-42.5173.7-86-5.6000112.5G74 R82G74-D78 PolarHBondContact O-N 3.05Å; G74-D78 VanDerWaalsContact O-N 3.11Å; D78-R82 WeakPolarHBondContact O-CG 3.46Å; D78-R82 PolarHBondContact O-N 3Å
79N87.1Confident84.5Confident2 Ų267.1 Ų67.11%0.01132%0.324CS..Hα-helixtrans-65.3-43.5175.9-78.8-13.2000111.7L4 Q7 E8 L11 M37 R75 R76 D77 Q81 R82 A83L4-N79 PolarHBondContact O-ND2 3.37Å; L4-N79 VanDerWaalsContact O-ND2 3.07Å; Q7-N79 HydrophobicContact CB-CB 4.45Å; Q7-N79 WeakPolarHBondContact CB-ND2 3.07Å; Q7-N79 PolarHBondContact OE1-ND2 3.41Å; E8-N79 WeakPolarHBondContact CG-OD1 3.49Å; L11-N79 HydrophobicContact CD1-CB 4.07Å; L11-N79 WeakPolarHBondContact CD1-O 3.4Å; M37-N79 HydrophobicContact CE-CB 4.42Å; R75-N79 WeakPolarHBondContact O-CB 3.35Å; R75-N79 VanDerWaalsContact O-CG 3.32Å; R75-N79 PolarHBondContact O-N 3.07Å; R75-N79 PolarHBondContact O-ND2 2.62Å; R76-N79 PolarHBondContact O-N 3.21Å; D77-N79 VanDerWaalsContact C-N 3.32Å; D77-N79 PolarHBondContact O-N 3.21Å; N79-Q81 VanDerWaalsContact C-N 3.34Å; N79-Q81 PolarHBondContact O-N 2.75Å; N79-R82 PolarHBondContact O-N 2.72Å; N79-A83 WeakPolarHBondContact O-CB 3.1Å; N79-A83 PolarHBondContact O-N 3.23Å
80R84.8Confident84.6Confident127 Ų12767.3 Ų67.348%0.47932%0.324SS..Hα-helixtrans-64.2-40.8-178.3-166.6173.8-176.8-135.70.7111.6M37 R76 D77 A83 L84M37-R80 HydrophobicContact CE-CB 3.81Å; M37-R80 HydrophobicContact CE-CG 4.12Å; R76-R80 WeakPolarHBondContact O-CB 3.41Å; R76-R80 PolarHBondContact O-N 3.35Å; D77-R80 PolarHBondContact O-N 2.99Å; D77-R80 VanDerWaalsContact O-N 3.15Å; R80-A83 PolarHBondContact O-N 3.17Å; R80-L84 WeakPolarHBondContact O-CG 3.37Å; R80-L84 PolarHBondContact O-N 3.39Å; R80-L84 VanDerWaalsContact O-N 3.17Å
81Q84.1Confident84.7Confident106 Ų10665.6 Ų65.650%0.49532%0.315SS..Hα-helixtrans-62.6-51175.8-170.758.647.500111.6D77 N79 A83 L84 D85D77-Q81 PolarHBondContact O-N 2.69Å; N79-Q81 VanDerWaalsContact C-N 3.34Å; N79-Q81 PolarHBondContact O-N 2.75Å; Q81-A83 VanDerWaalsContact C-N 3.25Å; Q81-A83 PolarHBondContact O-N 3.2Å; Q81-L84 PolarHBondContact O-N 3.09Å; Q81-D85 PolarHBondContact NE2-OD1 2.96Å; Q81-D85 VanDerWaalsContact O-CG 3.25Å; Q81-D85 PolarHBondContact O-N 3.14Å
82R84.3Confident84.5Confident137 Ų13762.4 Ų62.452%0.51730%0.297SS..Hα-helixtrans-61.3-33.3179-67.7178.3-162.917410.6113.1L11 D78 N79 Q86L11-R82 HydrophobicContact CD1-CB 4.27Å; D78-R82 WeakPolarHBondContact O-CG 3.46Å; D78-R82 PolarHBondContact O-N 3Å; N79-R82 PolarHBondContact O-N 2.72Å; R82-Q86 WeakPolarHBondContact O-CB 3.42Å; R82-Q86 PolarHBondContact O-N 3.01Å; R82-Q86 VanDerWaalsContact O-N 3.11Å
83A83.6Confident84.3Confident0 Ų063.3 Ų63.30%030%0.301CS..Hα-helixtrans-66.5-38.6175.400000112.2L11 H30 F33 L34 M37 N79 R80 Q81 H87L11-A83 HydrophobicContact CD1-CB 4.09Å; L11-A83 HydrophobicContact CD2-CB 3.73Å; H30-A83 PolarHBondContact NE2-O 3.14Å; F33-A83 HydrophobicContact CE1-CB 4.28Å; L34-A83 HydrophobicContact CD2-CB 3.59Å; M37-A83 HydrophobicContact SD-CB 4.04Å; N79-A83 WeakPolarHBondContact O-CB 3.1Å; N79-A83 PolarHBondContact O-N 3.23Å; R80-A83 PolarHBondContact O-N 3.17Å; Q81-A83 VanDerWaalsContact C-N 3.25Å; Q81-A83 PolarHBondContact O-N 3.2Å; A83-H87 PolarHBondContact O-N 3.44Å
84L84.5Confident84.3Confident81 Ų8161.9 Ų61.942%0.42429%0.292SS..Hα-helixtrans-70.4-44.4175.7-66.6170.2000111.6R80 Q81 Q86 H87 E88R80-L84 WeakPolarHBondContact O-CG 3.37Å; R80-L84 PolarHBondContact O-N 3.39Å; R80-L84 VanDerWaalsContact O-N 3.17Å; Q81-L84 PolarHBondContact O-N 3.09Å; L84-Q86 VanDerWaalsContact C-N 3.34Å; L84-Q86 PolarHBondContact O-N 3.42Å; L84-H87 WeakPolarHBondContact O-CB 3.39Å; L84-H87 PolarHBondContact O-N 3.48Å; L84-H87 VanDerWaalsContact O-N 3.13Å; L84-E88 PolarHBondContact O-N 3.44Å; L84-E88 VanDerWaalsContact O-N 3.1Å
85D83.5Confident84.2Confident90 Ų9064 Ų6448%0.48129%0.292SS..Hα-helixtrans-60-42.2179.6-60.5-20.4000112Q81 K89Q81-D85 PolarHBondContact NE2-OD1 2.96Å; Q81-D85 VanDerWaalsContact O-CG 3.25Å; Q81-D85 PolarHBondContact O-N 3.14Å; D85-K89 PolarHBondContact O-N 3.25Å; D85-K89 VanDerWaalsContact O-N 3.13Å
86Q84.4Confident84Confident39 Ų3961.8 Ų61.818%0.18228%0.284CS..Hα-helixtrans-70.8-29.8177.4-169.467.9-1.100112.8D14 R82 L84 K89 L90D14-Q86 PolarHBondContact OD1-NE2 2.92Å; R82-Q86 WeakPolarHBondContact O-CB 3.42Å; R82-Q86 PolarHBondContact O-N 3.01Å; R82-Q86 VanDerWaalsContact O-N 3.11Å; L84-Q86 VanDerWaalsContact C-N 3.34Å; L84-Q86 PolarHBondContact O-N 3.42Å; Q86-K89 PolarHBondContact O-N 3.03Å; Q86-L90 HydrophobicContact CG-CD1 4.36Å; Q86-L90 WeakPolarHBondContact O-CG 3.38Å; Q86-L90 PolarHBondContact O-N 3.05Å
87H85.7Confident83.9Confident40 Ų4061.1 Ų61.119%0.18528%0.283CS..Hα-helixtrans-67.2-46175.6-179.671.8000111.3L27 H30 E31 L34 A83 L84 K89 L90 K91L27-H87 WeakPolarHBondContact CD1-ND1 3.46Å; H30-H87 PolarHBondContact NE2-N 3.34Å; E31-H87 IonicContact OE1-CE1 3.89Å; E31-H87 PolarHBondContact OE1-CE1 3.39Å; L34-H87 HydrophobicContact CD1-CB 4.04Å; A83-H87 PolarHBondContact O-N 3.44Å; L84-H87 WeakPolarHBondContact O-CB 3.39Å; L84-H87 PolarHBondContact O-N 3.48Å; L84-H87 VanDerWaalsContact O-N 3.13Å; H87-K89 VanDerWaalsContact C-N 3.34Å; H87-K89 PolarHBondContact O-N 3.42Å; H87-L90 PolarHBondContact O-N 3.43Å; H87-K91 WeakPolarHBondContact O-CB 2.98Å; H87-K91 PolarHBondContact O-N 3.01Å
88E84.1Confident83.7Confident115 Ų11562 Ų6254%0.53729%0.285SS..Hα-helixtrans-55.4-46.9171.3-86.8-99.6130.600111.7L84 K91 N92L84-E88 PolarHBondContact O-N 3.44Å; L84-E88 VanDerWaalsContact O-N 3.1Å; E88-K91 PolarHBondContact O-N 3.13Å; E88-N92 PolarHBondContact O-N 3.27Å; E88-N92 VanDerWaalsContact O-N 3.09Å; E88-N92 PolarHBondContact O-ND2 2.76Å
89K82.5Confident83.6Confident76 Ų7658.1 Ų58.133%0.3326%0.263SS..Hα-helixtrans-59.3-48.6179.8-170-175.3-178.4-174.50112D14 D85 Q86 H87 N92 Q93D14-K89 IonicContact OD1-NZ 3.45Å; D14-K89 PolarHBondContact OD1-NZ 3Å; D14-K89 IonicContact OD2-NZ 2.68Å; D14-K89 PolarHBondContact OD2-NZ 3.23Å; D85-K89 PolarHBondContact O-N 3.25Å; D85-K89 VanDerWaalsContact O-N 3.13Å; Q86-K89 PolarHBondContact O-N 3.03Å; H87-K89 VanDerWaalsContact C-N 3.34Å; H87-K89 PolarHBondContact O-N 3.42Å; K89-N92 PolarHBondContact O-N 3.23Å; K89-Q93 WeakPolarHBondContact O-CG 3.35Å; K89-Q93 PolarHBondContact O-N 2.88Å
90L82.9Confident83.4Confident10 Ų1059.8 Ų59.85%0.05227%0.272CS..Hα-helixtrans-65.4-41.6179.2-72.7170.9000112.4Q26 L27 H30 Q86 H87 N92 Q93 V94Q26-L90 HydrophobicContact CB-CD1 4.31Å; Q26-L90 HydrophobicContact CB-CD2 3.8Å; L27-L90 HydrophobicContact CB-CB 4.32Å; L27-L90 HydrophobicContact CD1-CB 3.87Å; H30-L90 HydrophobicContact CB-CD1 3.84Å; Q86-L90 HydrophobicContact CG-CD1 4.36Å; Q86-L90 WeakPolarHBondContact O-CG 3.38Å; Q86-L90 PolarHBondContact O-N 3.05Å; H87-L90 PolarHBondContact O-N 3.43Å; L90-N92 VanDerWaalsContact C-N 3.3Å; L90-N92 PolarHBondContact O-N 3.34Å; L90-Q93 PolarHBondContact O-N 3.17Å; L90-Q93 VanDerWaalsContact O-N 3.13Å; L90-V94 PolarHBondContact O-N 3.41Å; L90-V94 VanDerWaalsContact O-N 3.1Å
91K84.2Confident83.3Confident104 Ų10458 Ų5845%0.45227%0.269SS..Hα-helixtrans-61.6-37177.8-174.1175.1-177.5175.90112.8L27 H87 E88 K95L27-K91 HydrophobicContact CD1-CB 4.28Å; L27-K91 HydrophobicContact CD2-CB 4.43Å; H87-K91 WeakPolarHBondContact O-CB 2.98Å; H87-K91 PolarHBondContact O-N 3.01Å; E88-K91 PolarHBondContact O-N 3.13Å; K91-K95 PolarHBondContact O-N 3.12Å
92N82.9Confident83Confident21 Ų2157.6 Ų57.611%0.11227%0.27CS..Hα-helixtrans-71.6-30.8175.8-68.9-44.7000112.6E88 K89 L90 L96 F166E88-N92 PolarHBondContact O-N 3.27Å; E88-N92 VanDerWaalsContact O-N 3.09Å; E88-N92 PolarHBondContact O-ND2 2.76Å; K89-N92 PolarHBondContact O-N 3.23Å; L90-N92 VanDerWaalsContact C-N 3.3Å; L90-N92 PolarHBondContact O-N 3.34Å; N92-L96 PolarHBondContact O-N 3.34Å; N92-F166 HydrophobicContact CB-CE2 4.4Å; N92-F166 HydrophobicContact CB-CZ 4.14Å
93Q81.6Confident83Confident36 Ų3651.5 Ų51.517%0.16825%0.248CC..Hα-helixtrans-72-35.5175.3-69.8-68.9-23.400113P17 K89 L90 L96 H97P17-Q93 HydrophobicContact CG-CB 3.72Å; P17-Q93 HydrophobicContact CG-CG 4.13Å; K89-Q93 WeakPolarHBondContact O-CG 3.35Å; K89-Q93 PolarHBondContact O-N 2.88Å; L90-Q93 PolarHBondContact O-N 3.17Å; L90-Q93 VanDerWaalsContact O-N 3.13Å; Q93-L96 PolarHBondContact O-N 3.05Å; Q93-H97 PolarHBondContact O-CD2 3.01Å; Q93-H97 PolarHBondContact O-N 3.38Å
94V83.6Confident82.9Confident13 Ų1356.4 Ų56.48%0.07927%0.271CS..Hα-helixtrans-57.6-55.4172.5172.80000110.3L20 A23 E24 L27 L90 L96 H97 E98L20-V94 HydrophobicContact CD1-CG1 3.88Å; A23-V94 HydrophobicContact CB-CB 4.43Å; A23-V94 HydrophobicContact CB-CG2 3.63Å; E24-V94 HydrophobicContact CG-CG1 4.21Å; E24-V94 HydrophobicContact CG-CG2 4.39Å; L27-V94 HydrophobicContact CB-CG2 4.45Å; L27-V94 HydrophobicContact CD2-CG2 4.06Å; L90-V94 PolarHBondContact O-N 3.41Å; L90-V94 VanDerWaalsContact O-N 3.1Å; V94-L96 PolarHBondContact O-N 3.16Å; V94-L96 VanDerWaalsContact O-N 3.16Å; V94-H97 PolarHBondContact O-N 3.45Å; V94-E98 HydrophobicContact CG1-CG 4.22Å; V94-E98 WeakPolarHBondContact O-CG 3.48Å; V94-E98 PolarHBondContact O-N 2.91Å
95K81.6Confident82.7Confident82 Ų8257.6 Ų57.636%0.35727%0.274SS..Hα-helixtrans-51.6-39.7178.9-74.8-178.8164.3-168.10113.9K91 E98 F99 L159 E162K91-K95 PolarHBondContact O-N 3.12Å; K95-E98 WeakPolarHBondContact CA-OE2 3.5Å; K95-F99 PolarHBondContact O-N 2.64Å; K95-L159 HydrophobicContact CB-CD2 4.39Å; K95-E162 IonicContact NZ-OE2 3.04Å; K95-E162 PolarHBondContact NZ-OE2 2.94Å
96L83.1Confident82.6Confident11 Ų1154.2 Ų54.26%0.05826%0.256CS..Hα-helixtrans-66.1-43.6178.6177.162.2000111.4N92 Q93 V94 L100 F166 I170N92-L96 PolarHBondContact O-N 3.34Å; Q93-L96 PolarHBondContact O-N 3.05Å; V94-L96 PolarHBondContact O-N 3.16Å; V94-L96 VanDerWaalsContact O-N 3.16Å; L96-L100 HydrophobicContact CD1-CD1 4.21Å; L96-L100 HydrophobicContact CD1-CG 4.44Å; L96-L100 HydrophobicContact CG-CD1 4.09Å; L96-L100 WeakPolarHBondContact O-CG 3.5Å; L96-L100 PolarHBondContact O-N 3.18Å; L96-L100 VanDerWaalsContact O-N 3.12Å; L96-F166 HydrophobicContact CB-CD2 4.28Å; L96-F166 HydrophobicContact CB-CE2 4.16Å; L96-F166 HydrophobicContact CB-CZ 4.37Å; L96-F166 HydrophobicContact CD1-CB 3.96Å; L96-F166 HydrophobicContact CD1-CD2 4.2Å; L96-F166 HydrophobicContact CD1-CG 4Å; L96-F166 HydrophobicContact CD2-CD1 3.69Å; L96-F166 HydrophobicContact CD2-CD2 4.5Å; L96-F166 HydrophobicContact CD2-CE1 3.91Å; L96-F166 HydrophobicContact CD2-CG 4.02Å; L96-F166 HydrophobicContact CD2-CZ 4.39Å; L96-F166 HydrophobicContact CG-CG 4.43Å; L96-I170 HydrophobicContact CD1-CD1 3.9Å; L96-I170 HydrophobicContact CD1-CG1 4.12Å
97H82.6Confident82.4Confident32 Ų3253.4 Ų53.415%0.14826%0.256CS..Hα-helixtrans-75.9-31.5-177.4-78.8-64.4000113.5V18 L20 Q93 V94 L100 Q101V18-H97 VanDerWaalsContact C-CE1 3.47Å; V18-H97 PolarHBondContact O-CE1 2.82Å; L20-H97 HydrophobicContact CB-CB 3.85Å; L20-H97 HydrophobicContact CD1-CB 4.19Å; Q93-H97 PolarHBondContact O-CD2 3.01Å; Q93-H97 PolarHBondContact O-N 3.38Å; V94-H97 PolarHBondContact O-N 3.45Å; H97-L100 PolarHBondContact O-N 3.11Å; H97-Q101 PolarHBondContact O-N 3.05Å
98E81.8Confident82.3Confident86 Ų8658 Ų5840%0.40228%0.278SS..Hα-helixtrans-55.4-54.5168.3-67.6174139.400109.9L20 V94 K95 L100 Q101 D102L20-E98 HydrophobicContact CD1-CG 3.52Å; L20-E98 HydrophobicContact CD2-CG 3.98Å; L20-E98 HydrophobicContact CG-CG 4.41Å; V94-E98 HydrophobicContact CG1-CG 4.22Å; V94-E98 WeakPolarHBondContact O-CG 3.48Å; V94-E98 PolarHBondContact O-N 2.91Å; K95-E98 WeakPolarHBondContact CA-OE2 3.5Å; E98-L100 VanDerWaalsContact C-N 3.33Å; E98-L100 PolarHBondContact O-N 2.6Å; E98-Q101 WeakPolarHBondContact O-CB 3.45Å; E98-Q101 PolarHBondContact O-N 3.17Å; E98-Q101 VanDerWaalsContact O-N 3.1Å; E98-D102 PolarHBondContact O-N 2.84Å; E98-D102 VanDerWaalsContact O-N 3.16Å
99F83.5Confident82.3Confident13 Ų1354.7 Ų54.76%0.05726%0.26CS..Hα-helixtrans-63.8-33.5-178179.1-103.5000114.1K95 Q101 L103 A156 L159 I170K95-F99 PolarHBondContact O-N 2.64Å; F99-Q101 VanDerWaalsContact C-N 3.34Å; F99-L103 HydrophobicContact CD1-CD1 4.26Å; F99-L103 HydrophobicContact CE1-CD1 3.46Å; F99-L103 VanDerWaalsContact CE1-CD1 3.46Å; F99-L103 HydrophobicContact CE1-CG 4.06Å; F99-L103 HydrophobicContact CE2-CG 4.37Å; F99-L103 HydrophobicContact CZ-CD1 3.67Å; F99-L103 HydrophobicContact CZ-CD2 4.15Å; F99-L103 HydrophobicContact CZ-CG 3.84Å; F99-L103 PolarHBondContact O-N 2.92Å; F99-A156 HydrophobicContact CE1-CB 4.07Å; F99-A156 HydrophobicContact CZ-CB 3.7Å; F99-L159 HydrophobicContact CB-CD1 3.59Å; F99-L159 HydrophobicContact CD1-CD1 3.8Å; F99-L159 HydrophobicContact CD2-CD1 3.85Å; F99-L159 HydrophobicContact CG-CD1 3.41Å; F99-L159 VanDerWaalsContact CG-CD1 3.41Å; F99-I170 HydrophobicContact CD1-CD1 4.11Å; F99-I170 HydrophobicContact CD1-CG1 4.17Å; F99-I170 HydrophobicContact CE1-CD1 4.24Å; F99-I170 HydrophobicContact CE1-CG1 4.1Å; F99-I170 HydrophobicContact CE1-CG2 3.76Å
100L81.6Confident82.3Confident37 Ų3751.1 Ų51.119%0.19425%0.245CC..Hα-helixtrans-70.5-30.1175.8-72.6171.8000112.7L96 H97 E98 E104 V169L96-L100 HydrophobicContact CD1-CD1 4.21Å; L96-L100 HydrophobicContact CD1-CG 4.44Å; L96-L100 HydrophobicContact CG-CD1 4.09Å; L96-L100 WeakPolarHBondContact O-CG 3.5Å; L96-L100 PolarHBondContact O-N 3.18Å; L96-L100 VanDerWaalsContact O-N 3.12Å; H97-L100 PolarHBondContact O-N 3.11Å; E98-L100 VanDerWaalsContact C-N 3.33Å; E98-L100 PolarHBondContact O-N 2.6Å; L100-E104 PolarHBondContact O-N 2.85Å; L100-V169 HydrophobicContact CD1-CG1 3.95Å; L100-V169 HydrophobicContact CD2-CG1 4.24Å
101Q82.8Confident82.1Confident88 Ų8855.9 Ų55.941%0.41127%0.267SS..Hα-helixtrans-69.5-46.7173.6-178.7178.1-27.600111H97 E98 F99 L103 E104 E105H97-Q101 PolarHBondContact O-N 3.05Å; E98-Q101 WeakPolarHBondContact O-CB 3.45Å; E98-Q101 PolarHBondContact O-N 3.17Å; E98-Q101 VanDerWaalsContact O-N 3.1Å; F99-Q101 VanDerWaalsContact C-N 3.34Å; Q101-L103 PolarHBondContact O-N 3.35Å; Q101-E104 PolarHBondContact O-N 2.86Å; Q101-E105 HydrophobicContact CG-CG 4.39Å; Q101-E105 PolarHBondContact NE2-OE1 3.39Å; Q101-E105 PolarHBondContact O-N 3.38Å
102D78.9Confident81.9Confident99 Ų9956.6 Ų56.653%0.52927%0.272SS..Hα-helixtrans-55.4-38.4178.3-68.4-23.5000112.5E98 L106E98-D102 PolarHBondContact O-N 2.84Å; E98-D102 VanDerWaalsContact O-N 3.16Å; D102-L106 WeakPolarHBondContact O-CB 3.5Å; D102-L106 PolarHBondContact O-N 3.48Å
103L83.5Confident81.8Confident8 Ų857 Ų574%0.04227%0.272CS..Hα-helixtrans-68.3-32.2175.5-76.9180000113.5F99 Q101 A107 A152 K173 L174 L177F99-L103 HydrophobicContact CD1-CD1 4.26Å; F99-L103 HydrophobicContact CE1-CD1 3.46Å; F99-L103 VanDerWaalsContact CE1-CD1 3.46Å; F99-L103 HydrophobicContact CE1-CG 4.06Å; F99-L103 HydrophobicContact CE2-CG 4.37Å; F99-L103 HydrophobicContact CZ-CD1 3.67Å; F99-L103 HydrophobicContact CZ-CD2 4.15Å; F99-L103 HydrophobicContact CZ-CG 3.84Å; F99-L103 PolarHBondContact O-N 2.92Å; Q101-L103 PolarHBondContact O-N 3.35Å; L103-A107 PolarHBondContact O-N 3.39Å; L103-A152 HydrophobicContact CD2-CB 3.91Å; L103-K173 HydrophobicContact CD1-CB 4.49Å; L103-L174 HydrophobicContact CD2-CD1 4.26Å; L103-L177 HydrophobicContact CD2-CD2 4.05Å
104E81.4Confident81.7Confident103 Ų10359.4 Ų59.448%0.48128%0.281SS..Hα-helixtrans-78.6-41.9-179.4-162.9143.2-11000110.8L100 Q101 L106 A107 E108 K173L100-E104 PolarHBondContact O-N 2.85Å; Q101-E104 PolarHBondContact O-N 2.86Å; E104-L106 VanDerWaalsContact C-N 3.32Å; E104-L106 PolarHBondContact O-N 3.41Å; E104-A107 WeakPolarHBondContact O-CB 3.28Å; E104-A107 PolarHBondContact O-N 3.35Å; E104-A107 VanDerWaalsContact O-N 3.08Å; E104-E108 PolarHBondContact O-N 2.86Å; E104-K173 IonicContact OE1-NZ 3.8Å; E104-K173 PolarHBondContact OE1-NZ 3.49Å
105E81.2Confident81.3Confident106 Ų10661.8 Ų61.850%0.49530%0.302SS..Hα-helixtrans-59.4-40.3172.8-67.8-174.2-163.900112.2Q101 A107 E108 W109Q101-E105 HydrophobicContact CG-CG 4.39Å; Q101-E105 PolarHBondContact NE2-OE1 3.39Å; Q101-E105 PolarHBondContact O-N 3.38Å; E105-A107 VanDerWaalsContact C-N 3.33Å; E105-A107 PolarHBondContact O-N 2.9Å; E105-E108 PolarHBondContact O-N 3.44Å; E105-W109 PolarHBondContact O-N 3.33Å
106L80.8Confident80.7Confident20 Ų2061.1 Ų61.111%0.10530%0.304CS..Hα-helixtrans-68.7-31.2175.9-171.654.3000112.3D102 E104 V110 R148 L177D102-L106 WeakPolarHBondContact O-CB 3.5Å; D102-L106 PolarHBondContact O-N 3.48Å; E104-L106 VanDerWaalsContact C-N 3.32Å; E104-L106 PolarHBondContact O-N 3.41Å; L106-V110 WeakPolarHBondContact O-CG2 3.27Å; L106-V110 PolarHBondContact O-N 2.93Å; L106-R148 HydrophobicContact CD1-CB 4.5Å; L106-R148 HydrophobicContact CD2-CB 4.33Å; L106-L177 HydrophobicContact CB-CD2 4.17Å; L106-L177 HydrophobicContact CD2-CD2 3.91Å; L106-L177 HydrophobicContact CG-CD1 4.38Å; L106-L177 HydrophobicContact CG-CD2 3.98Å
107A80.8Confident79.9Confident22 Ų2260.6 Ų60.618%0.18230%0.302CS..Hα-helixtrans-69.9-43.4174.700000112.6L103 E104 E105 W109 V110 Q111 L177L103-A107 PolarHBondContact O-N 3.39Å; E104-A107 WeakPolarHBondContact O-CB 3.28Å; E104-A107 PolarHBondContact O-N 3.35Å; E104-A107 VanDerWaalsContact O-N 3.08Å; E105-A107 VanDerWaalsContact C-N 3.33Å; E105-A107 PolarHBondContact O-N 2.9Å; A107-W109 VanDerWaalsContact C-N 3.32Å; A107-W109 PolarHBondContact O-N 3.27Å; A107-V110 PolarHBondContact O-N 2.93Å; A107-Q111 PolarHBondContact O-N 3.46Å; A107-Q111 VanDerWaalsContact O-N 3.16Å; A107-L177 HydrophobicContact CB-CD1 3.88Å
108E83.3Confident79Confident137 Ų13764.2 Ų64.264%0.6432%0.319SS*.Hα-helixtrans-59.6-43.1175.6-69-168.6163.900111.5E104 E105 V110 Q111 E112E104-E108 PolarHBondContact O-N 2.86Å; E105-E108 PolarHBondContact O-N 3.44Å; E108-V110 PolarHBondContact O-N 3.16Å; E108-Q111 PolarHBondContact O-N 3.38Å; E108-E112 PolarHBondContact O-N 3.3Å
109W83.9Confident78.2Confident44 Ų4464.1 Ų64.117%0.16732%0.321CS..Hα-helixtrans-59-45.2176.5-179.389.4000112.6E105 A107 Q111 E112 K113 N145 F181E105-W109 PolarHBondContact O-N 3.33Å; A107-W109 VanDerWaalsContact C-N 3.32Å; A107-W109 PolarHBondContact O-N 3.27Å; W109-Q111 VanDerWaalsContact C-N 3.31Å; W109-Q111 PolarHBondContact O-N 3.04Å; W109-E112 PolarHBondContact O-N 2.63Å; W109-K113 HydrophobicContact CD2-CG 4.08Å; W109-K113 HydrophobicContact CE3-CG 4.42Å; W109-K113 HydrophobicContact CH2-CG 4.07Å; W109-K113 HydrophobicContact CZ2-CD 4.23Å; W109-K113 HydrophobicContact CZ2-CG 3.72Å; W109-K113 HydrophobicContact CZ3-CG 4.41Å; W109-K113 WeakPolarHBondContact O-CG 3.09Å; W109-K113 PolarHBondContact O-N 3.18Å; W109-K113 VanDerWaalsContact O-N 3.1Å; W109-N145 HydrophobicContact CH2-CB 3.43Å; W109-N145 VanDerWaalsContact CH2-CB 3.43Å; W109-N145 HydrophobicContact CZ2-CB 3.85Å; W109-N145 VanDerWaalsContact CZ2-ND2 3.29Å; W109-N145 WeakPolarHBondContact CZ2-ND2 3.34Å; W109-N145 HydrophobicContact CZ3-CB 3.82Å; W109-F181 HydrophobicContact CZ3-CD2 4.5Å; W109-F181 AromaticContact CZ3-CE2 3.85Å; W109-F181 HydrophobicContact CZ3-CE2 3.85Å
110V81.5Confident76.9Confident1 Ų169.2 Ų69.21%0.00635%0.345CS..Hα-helixtrans-61.4-41.8178.3174.10000110.8L106 A107 E108 K113 Y114 L177 Q180 F181L106-V110 WeakPolarHBondContact O-CG2 3.27Å; L106-V110 PolarHBondContact O-N 2.93Å; A107-V110 PolarHBondContact O-N 2.93Å; E108-V110 PolarHBondContact O-N 3.16Å; V110-K113 PolarHBondContact O-N 2.87Å; V110-Y114 WeakPolarHBondContact O-CB 3.47Å; V110-Y114 PolarHBondContact O-N 2.9Å; V110-L177 HydrophobicContact CG2-CD1 4.19Å; V110-Q180 VanDerWaalsContact CG1-C 3.48Å; V110-Q180 HydrophobicContact CG1-CB 3.65Å; V110-Q180 WeakPolarHBondContact CG1-O 3.33Å; V110-F181 HydrophobicContact CG2-CD2 3.76Å; V110-F181 HydrophobicContact CG2-CE2 4.48Å
111Q78.8Confident75.7Confident111 Ų11171.7 Ų71.752%0.51937%0.366SS..Hα-helixtrans-67-40178.2-67.4-172.914.600112.9A107 E108 W109 K113 Y114 A115 Q180A107-Q111 PolarHBondContact O-N 3.46Å; A107-Q111 VanDerWaalsContact O-N 3.16Å; E108-Q111 PolarHBondContact O-N 3.38Å; W109-Q111 VanDerWaalsContact C-N 3.31Å; W109-Q111 PolarHBondContact O-N 3.04Å; Q111-K113 PolarHBondContact O-N 3.48Å; Q111-Y114 PolarHBondContact O-N 3.47Å; Q111-A115 PolarHBondContact O-N 2.93Å; Q111-Q180 VanDerWaalsContact NE2-OE1 3.12Å
112E81.6Confident74.4Confident118 Ų11870.5 Ų70.555%0.55136%0.358SS*.Hα-helixtrans-59.7-45.7175.4-166.8-155.3154.400111.5E108 W109 A115 T116E108-E112 PolarHBondContact O-N 3.3Å; W109-E112 PolarHBondContact O-N 2.63Å; E112-A115 PolarHBondContact O-N 3.24Å; E112-T116 WeakPolarHBondContact O-CB 3.37Å; E112-T116 PolarHBondContact O-N 3.18Å; E112-T116 PolarHBondContact O-OG1 3.07Å
113K81.1Confident73Confident29 Ų2975 Ų7513%0.12637%0.367CS..Hα-helixtrans-70.9-34.9179.5-59.7-65.4164172.10112.1W109 V110 Q111 T116 S117 F138 E141 L184W109-K113 HydrophobicContact CD2-CG 4.08Å; W109-K113 HydrophobicContact CE3-CG 4.42Å; W109-K113 HydrophobicContact CH2-CG 4.07Å; W109-K113 HydrophobicContact CZ2-CD 4.23Å; W109-K113 HydrophobicContact CZ2-CG 3.72Å; W109-K113 HydrophobicContact CZ3-CG 4.41Å; W109-K113 WeakPolarHBondContact O-CG 3.09Å; W109-K113 PolarHBondContact O-N 3.18Å; W109-K113 VanDerWaalsContact O-N 3.1Å; V110-K113 PolarHBondContact O-N 2.87Å; Q111-K113 PolarHBondContact O-N 3.48Å; K113-T116 WeakPolarHBondContact O-CB 3.45Å; K113-T116 PolarHBondContact O-N 3.18Å; K113-S117 PolarHBondContact O-N 3.45Å; K113-F138 HydrophobicContact CD-CE2 4.32Å; K113-E141 WeakPolarHBondContact CE-OE1 3.26Å; K113-E141 IonicContact NZ-OE1 3.26Å; K113-E141 PolarHBondContact NZ-OE1 3.11Å; K113-L184 HydrophobicContact CB-CD1 4.22Å; K113-L184 HydrophobicContact CB-CD2 3.75Å
114Y79.3Confident71.7Confident88 Ų8878.3 Ų78.335%0.34539%0.391SS..Hα-helixtrans-61.5-47.8173.1-170.5-101.4000111.6V110 Q111 T116 S117 Q118 D183 L184V110-Y114 WeakPolarHBondContact O-CB 3.47Å; V110-Y114 PolarHBondContact O-N 2.9Å; Q111-Y114 PolarHBondContact O-N 3.47Å; Y114-T116 VanDerWaalsContact C-N 3.33Å; Y114-T116 PolarHBondContact O-N 2.65Å; Y114-S117 WeakPolarHBondContact O-CB 3.07Å; Y114-S117 PolarHBondContact O-N 3.12Å; Y114-S117 VanDerWaalsContact O-N 3.12Å; Y114-S117 PolarHBondContact O-OG 3.48Å; Y114-Q118 PolarHBondContact O-N 3.5Å; Y114-Q118 PolarHBondContact OH-NE2 3.31Å; Y114-D183 HydrophobicContact CE2-CB 4.14Å; Y114-L184 HydrophobicContact CD2-CB 4.15Å
115A75.1Confident70.3Confident63 Ų6377 Ų7752%0.52140%0.398SS..Hα-helixtrans-59.9-41.3173.600000112.3Q111 E112 S117 Q118Q111-A115 PolarHBondContact O-N 2.93Å; E112-A115 PolarHBondContact O-N 3.24Å; A115-S117 VanDerWaalsContact C-N 3.26Å; A115-S117 PolarHBondContact O-N 3.49Å; A115-Q118 PolarHBondContact O-N 3.26Å
116T68.4Low69.2Low67 Ų6781.5 Ų81.541%0.41142%0.416SS..Hα-helixtrans-62.6-31.6175.9-57.20000112.6E112 K113 Y114 Q118 Y122 F138E112-T116 WeakPolarHBondContact O-CB 3.37Å; E112-T116 PolarHBondContact O-N 3.18Å; E112-T116 PolarHBondContact O-OG1 3.07Å; K113-T116 WeakPolarHBondContact O-CB 3.45Å; K113-T116 PolarHBondContact O-N 3.18Å; Y114-T116 VanDerWaalsContact C-N 3.33Å; Y114-T116 PolarHBondContact O-N 2.65Å; T116-Q118 VanDerWaalsContact C-N 3.33Å; T116-Q118 PolarHBondContact O-N 2.91Å; T116-Y122 PolarHBondContact O-OH 3.1Å; T116-F138 HydrophobicContact CG2-CE2 3.89Å; T116-F138 HydrophobicContact CG2-CZ 4.2Å
117S67Low68.2Low1 Ų184.4 Ų84.41%0.00744%0.435CS..Hα-helixtrans-69.3-29.9178.284.80000113.1K113 Y114 A115 H187 K191K113-S117 PolarHBondContact O-N 3.45Å; Y114-S117 WeakPolarHBondContact O-CB 3.07Å; Y114-S117 PolarHBondContact O-N 3.12Å; Y114-S117 VanDerWaalsContact O-N 3.12Å; Y114-S117 PolarHBondContact O-OG 3.48Å; A115-S117 VanDerWaalsContact C-N 3.26Å; A115-S117 PolarHBondContact O-N 3.49Å; S117-H187 PolarHBondContact O-CE1 3.07Å; S117-H187 VanDerWaalsContact O-CE1 3.29Å; S117-H187 PolarHBondContact OG-ND1 3.09Å; S117-K191 PolarHBondContact O-NZ 2.7Å
118Q62.1Low67.2Low107 Ų10785.3 Ų85.350%0.544%0.436SS..THydrogen-bonded Turntrans-85-9.1-173-71.1-166.2-6.600116.4Y114 A115 T116Y114-Q118 PolarHBondContact O-N 3.5Å; Y114-Q118 PolarHBondContact OH-NE2 3.31Å; A115-Q118 PolarHBondContact O-N 3.26Å; T116-Q118 VanDerWaalsContact C-N 3.33Å; T116-Q118 PolarHBondContact O-N 2.91Å
119D64.9Low66.2Low84 Ų8483.4 Ų83.445%0.44943%0.427SS..  trans-57.7148.1172.4171.128.2000110.4S121 Y122D119-S121 WeakPolarHBondContact OD1-CB 3.36Å; D119-S121 PolarHBondContact OD1-N 2.8Å; D119-S121 WeakPolarHBondContact OD2-CB 3.39Å; D119-Y122 HydrophobicContact CB-CE1 4.33Å; D119-Y122 VanDerWaalsContact CB-OH 3.31Å; D119-Y122 WeakPolarHBondContact CB-OH 3.18Å; D119-Y122 WeakPolarHBondContact O-CE2 3.47Å; D119-Y122 PolarHBondContact O-OH 3.18Å; D119-Y122 WeakPolarHBondContact OD2-CE1 3.5Å
120E57.1Low65.1Low120 Ų12083.7 Ų83.756%0.56144%0.436SS*.  trans-116.34.4176.7-80.9-150.8141.100112.9Y122 R123E120-Y122 PolarHBondContact O-N 3.21Å; E120-R123 VanDerWaalsContact CD-NH1 3.31Å; E120-R123 IonicContact OE1-CZ 3.69Å; E120-R123 IonicContact OE1-NH1 2.73Å; E120-R123 PolarHBondContact OE1-NH1 3.4Å; E120-R123 IonicContact OE1-NH2 3.63Å; E120-R123 PolarHBondContact OE1-NH2 2.77Å; E120-R123 IonicContact OE2-CZ 2.66Å; E120-R123 IonicContact OE2-NH1 3.7Å; E120-R123 PolarHBondContact OE2-NH1 3.12Å; E120-R123 IonicContact OE2-NH2 3.69Å
121S56.7Low64.3Low90 Ų9085.5 Ų85.563%0.62944%0.443SS*.G310 helixtrans-59.2-6.4-173.7-171.40000115.4D119 R123D119-S121 WeakPolarHBondContact OD1-CB 3.36Å; D119-S121 PolarHBondContact OD1-N 2.8Å; D119-S121 WeakPolarHBondContact OD2-CB 3.39Å; S121-R123 PolarHBondContact O-N 3.45Å
122Y55.1Low63.7Low62 Ų6283.8 Ų83.824%0.24343%0.432CS..G310 helixtrans-74.7-18-171.9-27.4-58.8000115T116 D119 E120 S124 K131 K191T116-Y122 PolarHBondContact O-OH 3.1Å; D119-Y122 HydrophobicContact CB-CE1 4.33Å; D119-Y122 VanDerWaalsContact CB-OH 3.31Å; D119-Y122 WeakPolarHBondContact CB-OH 3.18Å; D119-Y122 WeakPolarHBondContact O-CE2 3.47Å; D119-Y122 PolarHBondContact O-OH 3.18Å; D119-Y122 WeakPolarHBondContact OD2-CE1 3.5Å; E120-Y122 PolarHBondContact O-N 3.21Å; Y122-S124 PolarHBondContact O-N 2.85Å; Y122-K131 PolarHBondContact O-NZ 3.01Å; Y122-K191 HydrophobicContact CD2-CD 4.45Å; Y122-K191 HydrophobicContact CE2-CD 3.82Å; Y122-K191 VanDerWaalsContact CE2-NZ 3.31Å; Y122-K191 PolarHBondContact OH-NZ 3.1Å
123R50.5Low62.9Low195 Ų19581.4 Ų81.474%0.73643%0.426SS*.G310 helixtrans-62.53-171.3-68.2-170.9178.6117.18116.6E120 S121E120-R123 VanDerWaalsContact CD-NH1 3.31Å; E120-R123 IonicContact OE1-CZ 3.69Å; E120-R123 IonicContact OE1-NH1 2.73Å; E120-R123 PolarHBondContact OE1-NH1 3.4Å; E120-R123 IonicContact OE1-NH2 3.63Å; E120-R123 PolarHBondContact OE1-NH2 2.77Å; E120-R123 IonicContact OE2-CZ 2.66Å; E120-R123 IonicContact OE2-NH1 3.7Å; E120-R123 PolarHBondContact OE2-NH1 3.12Å; E120-R123 IonicContact OE2-NH2 3.69Å; S121-R123 PolarHBondContact O-N 3.45Å
124S55.3Low62.3Low77 Ų7787.4 Ų87.454%0.53845%0.447SS..  trans-81.2122.8175.5174.10000113.8Y122 K126 K131Y122-S124 PolarHBondContact O-N 2.85Å; S124-K126 PolarHBondContact O-N 2.85Å; S124-K131 PolarHBondContact O-NZ 3.36Å
125A52.1Low62Low76 Ų7683.8 Ų83.863%0.62843%0.434SS*.THydrogen-bonded Turntrans-81.5-1.4-162.500000118I128A125-I128 WeakPolarHBondContact O-CD1 3.43Å
126K57.7Low61.6Low200 Ų20086.3 Ų86.387%0.8744%0.435SS*.THydrogen-bonded Turntrans-87.1-7.1-166.2-79.8-171.8174.1-1780117.8S124S124-K126 PolarHBondContact O-N 2.85Å
127T61Low61.6Low81 Ų8186 Ų8650%0.49744%0.439SS..  trans-146.858.4-179.8450000112.4S130 K131T127-S130 PolarHBondContact O-OG 2.89Å; T127-K131 WeakPolarHBondContact O-CG 3.42Å; T127-K131 PolarHBondContact O-N 2.78Å
128I59.6Low61.9Low40 Ų4087.2 Ų87.221%0.20544%0.444CS..Hα-helixtrans-65.5-45.4-169.1-69.1161000113A125 S130 K131 W132 N199A125-I128 WeakPolarHBondContact O-CD1 3.43Å; I128-S130 PolarHBondContact O-N 2.99Å; I128-K131 WeakPolarHBondContact O-CB 3.41Å; I128-K131 PolarHBondContact O-N 2.92Å; I128-K131 VanDerWaalsContact O-N 3.1Å; I128-W132 PolarHBondContact O-N 3.43Å; I128-W132 VanDerWaalsContact O-N 3.1Å; I128-N199 HydrophobicContact CD1-CB 4.15Å; I128-N199 WeakPolarHBondContact CD1-ND2 3.5Å; I128-N199 HydrophobicContact CG2-CB 4.4Å
129H60.6Low62.5Low98 Ų9885.6 Ų85.645%0.45444%0.437SS..Hα-helixtrans-58.8-46.9-178.8-172.373.9000112.7K131 W132 T133 L203H129-K131 PolarHBondContact O-N 3.35Å; H129-W132 PolarHBondContact O-N 3.15Å; H129-T133 PolarHBondContact O-N 3.24Å; H129-T133 VanDerWaalsContact O-N 3.12Å; H129-T133 PolarHBondContact O-OG1 2.95Å; H129-T133 VanDerWaalsContact O-OG1 3.09Å; H129-L203 HydrophobicContact CB-CD1 4.18Å
130S62.7Low63Low50 Ų5084.5 Ų84.535%0.3544%0.439SS..Hα-helixtrans-68.4-16.4179.778.50000114.1T127 I128 R134T127-S130 PolarHBondContact O-OG 2.89Å; I128-S130 PolarHBondContact O-N 2.99Å; S130-R134 PolarHBondContact O-NE 3.42Å; S130-R134 PolarHBondContact O-NH2 3.5Å; S130-R134 PolarHBondContact OG-NH2 3.34Å; S130-R134 VanDerWaalsContact OG-NH2 3.09Å
131K64.2Low63.9Low38 Ų3882.3 Ų82.317%0.16543%0.429CS..Hα-helixtrans-83.3-41.5173.7-71.9176.3170.6-171.60111.2Y122 S124 T127 I128 H129 R134 H135Y122-K131 PolarHBondContact O-NZ 3.01Å; S124-K131 PolarHBondContact O-NZ 3.36Å; T127-K131 WeakPolarHBondContact O-CG 3.42Å; T127-K131 PolarHBondContact O-N 2.78Å; I128-K131 WeakPolarHBondContact O-CB 3.41Å; I128-K131 PolarHBondContact O-N 2.92Å; I128-K131 VanDerWaalsContact O-N 3.1Å; H129-K131 PolarHBondContact O-N 3.35Å; K131-R134 PolarHBondContact O-N 3.01Å; K131-H135 PolarHBondContact O-N 3.44Å
132W66.3Low65Low75 Ų7578.3 Ų78.328%0.28440%0.401SS..Hα-helixtrans-56.8-52172.8176.8-108.5000111.7I128 H129 R134 H135 Q136 G192 L195 F196I128-W132 PolarHBondContact O-N 3.43Å; I128-W132 VanDerWaalsContact O-N 3.1Å; H129-W132 PolarHBondContact O-N 3.15Å; W132-R134 VanDerWaalsContact C-N 3.28Å; W132-R134 PolarHBondContact O-N 3.43Å; W132-H135 PolarHBondContact O-N 3.05Å; W132-H135 VanDerWaalsContact O-N 3.1Å; W132-Q136 PolarHBondContact O-N 2.89Å; W132-G192 WeakPolarHBondContact CZ3-O 3.34Å; W132-L195 HydrophobicContact CE3-CB 4.26Å; W132-F196 HydrophobicContact CD2-CD2 4.31Å; W132-F196 AromaticContact CE2-CD2 3.92Å; W132-F196 HydrophobicContact CE3-CD2 4.39Å; W132-F196 HydrophobicContact CH2-CB 4.47Å; W132-F196 AromaticContact CH2-CD2 3.77Å; W132-F196 HydrophobicContact CH2-CD2 3.77Å; W132-F196 HydrophobicContact CH2-CE2 4.5Å; W132-F196 HydrophobicContact CH2-CG 4.49Å; W132-F196 AromaticContact CZ2-CD2 3.65Å; W132-F196 HydrophobicContact CZ2-CD2 3.65Å; W132-F196 AromaticContact CZ2-CE2 3.99Å; W132-F196 HydrophobicContact CZ2-CE2 3.99Å; W132-F196 HydrophobicContact CZ3-CB 4.28Å; W132-F196 HydrophobicContact CZ3-CD2 4.15Å
133T64.8Low66Low69 Ų6978.8 Ų78.842%0.42342%0.418SS..Hα-helixtrans-59.3-36.7178.8-43.20000112.9H129 A137H129-T133 PolarHBondContact O-N 3.24Å; H129-T133 VanDerWaalsContact O-N 3.12Å; H129-T133 PolarHBondContact O-OG1 2.95Å; H129-T133 VanDerWaalsContact O-OG1 3.09Å; T133-A137 PolarHBondContact O-N 2.71Å
134R69.1Low67.2Low154 Ų15472.6 Ų72.658%0.58141%0.408SS*.Hα-helixtrans-70.5-34.7176.8-86.1-179.7-76.5167.4-7.6113S130 K131 W132 A137 F138S130-R134 PolarHBondContact O-NE 3.42Å; S130-R134 PolarHBondContact O-NH2 3.5Å; S130-R134 PolarHBondContact OG-NH2 3.34Å; S130-R134 VanDerWaalsContact OG-NH2 3.09Å; K131-R134 PolarHBondContact O-N 3.01Å; W132-R134 VanDerWaalsContact C-N 3.28Å; W132-R134 PolarHBondContact O-N 3.43Å; R134-A137 PolarHBondContact O-N 2.9Å; R134-F138 PolarHBondContact O-N 3.34Å
135H71.5Confident68Low13 Ų1370 Ų706%0.0639%0.388CS..Hα-helixtrans-70.1-40.2175.9-177.541.1000111.9K131 W132 A137 F138 E139 T188 G192K131-H135 PolarHBondContact O-N 3.44Å; W132-H135 PolarHBondContact O-N 3.05Å; W132-H135 VanDerWaalsContact O-N 3.1Å; H135-A137 VanDerWaalsContact C-N 3.28Å; H135-A137 PolarHBondContact O-N 2.89Å; H135-F138 WeakPolarHBondContact O-CB 3.41Å; H135-F138 PolarHBondContact O-N 3.12Å; H135-F138 VanDerWaalsContact O-N 3.08Å; H135-E139 PolarHBondContact O-N 3.32Å; H135-E139 VanDerWaalsContact O-N 3.08Å; H135-T188 PolarHBondContact CE1-O 3.36Å; H135-T188 VanDerWaalsContact CE1-O 3.31Å; H135-G192 VanDerWaalsContact CD2-CA 3.41Å; H135-G192 WeakPolarHBondContact CD2-CA 3.46Å; H135-G192 WeakPolarHBondContact NE2-CA 3.48Å; H135-G192 PolarHBondContact NE2-N 3.5Å; H135-G192 VanDerWaalsContact NE2-N 3.12Å
136Q67.3Low69.3Low115 Ų11570.3 Ų70.354%0.53738%0.375SS..Hα-helixtrans-61.1-35.5174.1-170.9175.235.500112.7W132 A140W132-Q136 PolarHBondContact O-N 2.89Å; Q136-A140 PolarHBondContact O-N 3.41Å
137A69.1Low70.3Confident61 Ų6167.4 Ų67.450%0.50436%0.364SS..Hα-helixtrans-67.4-37.5172.800000112.6T133 R134 H135 A140 E141T133-A137 PolarHBondContact O-N 2.71Å; R134-A137 PolarHBondContact O-N 2.9Å; H135-A137 VanDerWaalsContact C-N 3.28Å; H135-A137 PolarHBondContact O-N 2.89Å; A137-A140 PolarHBondContact O-N 3.37Å; A137-E141 PolarHBondContact O-N 3.24Å; A137-E141 VanDerWaalsContact O-N 3.09Å
138F73.4Confident71.1Confident27 Ų2770.7 Ų70.712%0.11837%0.368CS..Hα-helixtrans-67.7-38.5179-176.5-101.9000112.7K113 T116 R134 H135 A140 E141 I142 T188K113-F138 HydrophobicContact CD-CE2 4.32Å; T116-F138 HydrophobicContact CG2-CE2 3.89Å; T116-F138 HydrophobicContact CG2-CZ 4.2Å; R134-F138 PolarHBondContact O-N 3.34Å; H135-F138 WeakPolarHBondContact O-CB 3.41Å; H135-F138 PolarHBondContact O-N 3.12Å; H135-F138 VanDerWaalsContact O-N 3.08Å; F138-A140 VanDerWaalsContact C-N 3.34Å; F138-A140 PolarHBondContact O-N 2.9Å; F138-E141 PolarHBondContact O-N 2.89Å; F138-I142 HydrophobicContact CD1-CD1 4.02Å; F138-I142 HydrophobicContact CE1-CD1 3.63Å; F138-I142 HydrophobicContact CZ-CD1 4.06Å; F138-I142 PolarHBondContact O-N 3.12Å; F138-T188 HydrophobicContact CD1-CG2 3.66Å; F138-T188 HydrophobicContact CE1-CG2 3.78Å
139E73.8Confident72.1Confident72 Ų7269.7 Ų69.734%0.33636%0.363SS..Hα-helixtrans-62.7-39.6172.6-74.8-171.9136.300112.4H135 I142 A143 T188H135-E139 PolarHBondContact O-N 3.32Å; H135-E139 VanDerWaalsContact O-N 3.08Å; E139-I142 PolarHBondContact O-N 3.01Å; E139-A143 PolarHBondContact O-N 3.13Å; E139-A143 VanDerWaalsContact O-N 3.14Å; E139-T188 HydrophobicContact CG-CG2 3.69Å
140A74.9Confident73Confident61 Ų6171.6 Ų71.650%0.50437%0.37SS..Hα-helixtrans-67.2-34.617700000112.7Q136 A137 F138 A143 A144Q136-A140 PolarHBondContact O-N 3.41Å; A137-A140 PolarHBondContact O-N 3.37Å; F138-A140 VanDerWaalsContact C-N 3.34Å; F138-A140 PolarHBondContact O-N 2.9Å; A140-A143 PolarHBondContact O-N 3.44Å; A140-A144 PolarHBondContact O-N 2.72Å; A140-A144 VanDerWaalsContact O-N 3.11Å
141E77.4Confident73.7Confident75 Ų7574.7 Ų74.735%0.3538%0.379SS..Hα-helixtrans-64.6-40.4176.1-168.8-173.6156.300112.1K113 A137 F138 N145K113-E141 WeakPolarHBondContact CE-OE1 3.26Å; K113-E141 IonicContact NZ-OE1 3.26Å; K113-E141 PolarHBondContact NZ-OE1 3.11Å; A137-E141 PolarHBondContact O-N 3.24Å; A137-E141 VanDerWaalsContact O-N 3.09Å; F138-E141 PolarHBondContact O-N 2.89Å; E141-N145 PolarHBondContact O-N 3.28Å; E141-N145 PolarHBondContact O-ND2 3.31Å
142I79.4Confident74.5Confident6 Ų673.7 Ų73.73%0.03138%0.378CS..Hα-helixtrans-66.8-45.6175.7-65.3166.6000110.3F138 E139 A144 N145 F181 L184 T188F138-I142 HydrophobicContact CD1-CD1 4.02Å; F138-I142 HydrophobicContact CE1-CD1 3.63Å; F138-I142 HydrophobicContact CZ-CD1 4.06Å; F138-I142 PolarHBondContact O-N 3.12Å; E139-I142 PolarHBondContact O-N 3.01Å; I142-A144 VanDerWaalsContact C-N 3.33Å; I142-A144 PolarHBondContact O-N 2.97Å; I142-N145 PolarHBondContact O-N 2.93Å; I142-F181 HydrophobicContact CG2-CE1 4.22Å; I142-F181 HydrophobicContact CG2-CZ 4.34Å; I142-F181 WeakPolarHBondContact O-CZ 3.46Å; I142-L184 HydrophobicContact CD1-CD1 3.92Å; I142-L184 HydrophobicContact CD1-CD2 4.35Å; I142-L184 HydrophobicContact CD1-CG 4.01Å; I142-L184 HydrophobicContact CG1-CD2 4.25Å; I142-L184 HydrophobicContact CG1-CG 4.41Å; I142-L184 HydrophobicContact CG2-CD2 4.36Å; I142-L184 HydrophobicContact CG2-CG 4.38Å; I142-T188 HydrophobicContact CD1-CG2 4Å; I142-T188 WeakPolarHBondContact CD1-OG1 3.34Å
143A74.8Confident75.1Confident72 Ų7273.1 Ų73.160%0.59538%0.378SS*.Hα-helixtrans-60-40.3-179.600000113.1E139 A140 N145 K146E139-A143 PolarHBondContact O-N 3.13Å; E139-A143 VanDerWaalsContact O-N 3.14Å; A140-A143 PolarHBondContact O-N 3.44Å; A143-N145 PolarHBondContact O-N 3.31Å; A143-K146 WeakPolarHBondContact O-CB 3.23Å; A143-K146 PolarHBondContact O-N 3.27Å
144A75.5Confident75.9Confident64 Ų6475.3 Ų75.353%0.52938%0.382SS..Hα-helixtrans-67.2-33.6179.800000113.5A140 I142 K146A140-A144 PolarHBondContact O-N 2.72Å; A140-A144 VanDerWaalsContact O-N 3.11Å; I142-A144 VanDerWaalsContact C-N 3.33Å; I142-A144 PolarHBondContact O-N 2.97Å; A144-K146 VanDerWaalsContact C-N 3.27Å; A144-K146 PolarHBondContact O-N 3.48Å
145N74.1Confident76.4Confident22 Ų2270.3 Ų70.312%0.11837%0.371CS..Hα-helixtrans-80.3-5.5-178.8-74.8-75.9000113.8W109 E141 I142 A143 E147 R148 F181W109-N145 HydrophobicContact CH2-CB 3.43Å; W109-N145 VanDerWaalsContact CH2-CB 3.43Å; W109-N145 HydrophobicContact CZ2-CB 3.85Å; W109-N145 VanDerWaalsContact CZ2-ND2 3.29Å; W109-N145 WeakPolarHBondContact CZ2-ND2 3.34Å; W109-N145 HydrophobicContact CZ3-CB 3.82Å; E141-N145 PolarHBondContact O-N 3.28Å; E141-N145 PolarHBondContact O-ND2 3.31Å; I142-N145 PolarHBondContact O-N 2.93Å; A143-N145 PolarHBondContact O-N 3.31Å; N145-E147 PolarHBondContact O-N 2.94Å; N145-R148 PolarHBondContact O-N 3.11Å; N145-F181 HydrophobicContact CB-CE2 4.43Å
146K79.4Confident76.7Confident83 Ų8370.1 Ų70.136%0.36137%0.371SS..Hα-helixtrans-66.6-25.4175.1-161.4162.4-164.7160.10112.7A143 A144 F181 D182 E185A143-K146 WeakPolarHBondContact O-CB 3.23Å; A143-K146 PolarHBondContact O-N 3.27Å; A144-K146 VanDerWaalsContact C-N 3.27Å; A144-K146 PolarHBondContact O-N 3.48Å; K146-F181 HydrophobicContact CB-CE1 3.89Å; K146-F181 HydrophobicContact CB-CZ 3.81Å; K146-F181 HydrophobicContact CD-CE1 4.05Å; K146-F181 HydrophobicContact CG-CD1 4.5Å; K146-F181 HydrophobicContact CG-CE1 3.88Å; K146-F181 HydrophobicContact CG-CZ 4.25Å; K146-D182 IonicContact NZ-OD1 3.43Å; K146-E185 IonicContact NZ-OE2 3.31Å; K146-E185 PolarHBondContact NZ-OE2 2.97Å
147E77Confident77.2Confident139 Ų13970 Ų7065%0.6537%0.371SS*.Hα-helixtrans-67.9-38.3176.3-167.3163-149.900112N145 L149 F150 E151N145-E147 PolarHBondContact O-N 2.94Å; E147-L149 VanDerWaalsContact C-N 3.3Å; E147-L149 PolarHBondContact O-N 2.75Å; E147-F150 WeakPolarHBondContact O-CB 3.32Å; E147-F150 PolarHBondContact O-N 3.35Å; E147-F150 VanDerWaalsContact O-N 3.07Å; E147-E151 PolarHBondContact O-N 3.08Å
148R78.6Confident77.7Confident150 Ų15071.7 Ų71.757%0.56637%0.368SS*.Hα-helixtrans-62.1-34.8178.2-66.4-177.5172.8-168.3-5.7113.4L106 N145 F150 E151 A152L106-R148 HydrophobicContact CD1-CB 4.5Å; L106-R148 HydrophobicContact CD2-CB 4.33Å; N145-R148 PolarHBondContact O-N 3.11Å; R148-F150 VanDerWaalsContact C-N 3.33Å; R148-E151 PolarHBondContact O-N 2.91Å; R148-A152 WeakPolarHBondContact O-CB 3.49Å; R148-A152 PolarHBondContact O-N 3.04Å
149L80.2Confident77.9Confident20 Ų2071.6 Ų71.611%0.10537%0.369CS..Hα-helixtrans-63.8-40174.9-179.164.3000111.4E147 A152 E153 L177 A178 F181E147-L149 VanDerWaalsContact C-N 3.3Å; E147-L149 PolarHBondContact O-N 2.75Å; L149-A152 PolarHBondContact O-N 3.22Å; L149-E153 PolarHBondContact O-N 3.35Å; L149-L177 HydrophobicContact CD1-CD2 3.83Å; L149-L177 HydrophobicContact CD1-CG 3.79Å; L149-A178 HydrophobicContact CD2-CB 4.36Å; L149-F181 HydrophobicContact CD2-CB 4.2Å; L149-F181 HydrophobicContact CD2-CG 4.31Å
150F79.4Confident78.1Confident138 Ų13869.4 Ų69.461%0.60536%0.361SS*.Hα-helixtrans-71.1-36178.1-174.3-100.5000112.4E147 R148 E153 K154E147-F150 WeakPolarHBondContact O-CB 3.32Å; E147-F150 PolarHBondContact O-N 3.35Å; E147-F150 VanDerWaalsContact O-N 3.07Å; R148-F150 VanDerWaalsContact C-N 3.33Å; F150-E153 WeakPolarHBondContact O-CB 3.34Å; F150-E153 PolarHBondContact O-N 3.07Å; F150-K154 PolarHBondContact O-N 3.39Å
151E78.2Confident78.2Confident115 Ų11574.3 Ų74.354%0.53737%0.371SS..Hα-helixtrans-64.6-43.2172.1-68-174.9141.900111.7E147 R148 E153 K154 S155E147-E151 PolarHBondContact O-N 3.08Å; R148-E151 PolarHBondContact O-N 2.91Å; E151-E153 PolarHBondContact O-N 3.39Å; E151-K154 PolarHBondContact O-N 3.43Å; E151-K154 VanDerWaalsContact O-N 3.17Å; E151-S155 PolarHBondContact O-N 3.1Å; E151-S155 PolarHBondContact O-OG 3.19Å
152A79.7Confident78.1Confident16 Ų1676.7 Ų76.713%0.13238%0.382CS..Hα-helixtrans-62-40.2174.400000112.6L103 R148 L149 K154 S155 A156L103-A152 HydrophobicContact CD2-CB 3.91Å; R148-A152 WeakPolarHBondContact O-CB 3.49Å; R148-A152 PolarHBondContact O-N 3.04Å; L149-A152 PolarHBondContact O-N 3.22Å; A152-K154 VanDerWaalsContact C-N 3.32Å; A152-K154 PolarHBondContact O-N 2.96Å; A152-S155 PolarHBondContact O-N 3.45Å; A152-A156 WeakPolarHBondContact O-CB 3.2Å; A152-A156 PolarHBondContact O-N 3.44Å
153E79.6Confident78Confident64 Ų6479.2 Ų79.230%0.29939%0.393SS..Hα-helixtrans-58.6-40.1171.6-90.4-175.7-177.600113.4L149 F150 E151 Q157 L174L149-E153 PolarHBondContact O-N 3.35Å; F150-E153 WeakPolarHBondContact O-CB 3.34Å; F150-E153 PolarHBondContact O-N 3.07Å; E151-E153 PolarHBondContact O-N 3.39Å; E153-Q157 WeakPolarHBondContact O-CG 3.32Å; E153-Q157 PolarHBondContact O-N 3.42Å; E153-L174 HydrophobicContact CB-CD1 4.42Å; E153-L174 HydrophobicContact CG-CD1 3.9Å; E153-L174 HydrophobicContact CG-CD2 3.46Å; E153-L174 VanDerWaalsContact CG-CD2 3.46Å; E153-L174 HydrophobicContact CG-CG 4.14Å
154K80.8Confident78Confident114 Ų11480.6 Ų80.650%0.49640%0.396SS..Hα-helixtrans-71-46.8178.8-171.1-173.7170.5-152.70111.5F150 E151 A152 A156 Q157 E158F150-K154 PolarHBondContact O-N 3.39Å; E151-K154 PolarHBondContact O-N 3.43Å; E151-K154 VanDerWaalsContact O-N 3.17Å; A152-K154 VanDerWaalsContact C-N 3.32Å; A152-K154 PolarHBondContact O-N 2.96Å; K154-A156 VanDerWaalsContact C-N 3.32Å; K154-A156 PolarHBondContact O-N 3.27Å; K154-Q157 WeakPolarHBondContact O-CB 3.35Å; K154-Q157 PolarHBondContact O-N 2.87Å; K154-Q157 VanDerWaalsContact O-N 3.08Å; K154-E158 WeakPolarHBondContact CE-OE1 3.46Å; K154-E158 IonicContact NZ-OE1 3.9Å; K154-E158 PolarHBondContact O-N 3.29Å; K154-E158 VanDerWaalsContact O-N 3.11Å
155S79.9Confident78Confident50 Ų5083.9 Ų83.935%0.3540%0.4SS..Hα-helixtrans-59.6-40.7177.3-64.30000112.2E151 A152 Q157 E158 L159E151-S155 PolarHBondContact O-N 3.1Å; E151-S155 PolarHBondContact O-OG 3.19Å; A152-S155 PolarHBondContact O-N 3.45Å; S155-Q157 VanDerWaalsContact C-N 3.3Å; S155-Q157 PolarHBondContact O-N 3.22Å; S155-E158 PolarHBondContact O-N 2.95Å; S155-L159 PolarHBondContact O-N 3.35Å
156A77.7Confident78.3Confident8 Ų883.3 Ų83.37%0.06640%0.397CS..Hα-helixtrans-55.9-42.2172.500000113F99 A152 K154 S160 I170 L174F99-A156 HydrophobicContact CE1-CB 4.07Å; F99-A156 HydrophobicContact CZ-CB 3.7Å; A152-A156 WeakPolarHBondContact O-CB 3.2Å; A152-A156 PolarHBondContact O-N 3.44Å; K154-A156 VanDerWaalsContact C-N 3.32Å; K154-A156 PolarHBondContact O-N 3.27Å; A156-S160 VanDerWaalsContact O-CB 3.25Å; A156-S160 WeakPolarHBondContact O-CB 3.39Å; A156-S160 PolarHBondContact O-N 3.21Å; A156-S160 PolarHBondContact O-OG 3.31Å; A156-I170 HydrophobicContact CB-CG2 3.53Å; A156-L174 HydrophobicContact CB-CD1 3.74Å
157Q78.3Confident78.1Confident113 Ų11384 Ų8453%0.52840%0.4SS..Hα-helixtrans-72-30.6179.9-69.4174.636.100112.9E153 K154 S155 K161E153-Q157 WeakPolarHBondContact O-CG 3.32Å; E153-Q157 PolarHBondContact O-N 3.42Å; K154-Q157 WeakPolarHBondContact O-CB 3.35Å; K154-Q157 PolarHBondContact O-N 2.87Å; K154-Q157 VanDerWaalsContact O-N 3.08Å; S155-Q157 VanDerWaalsContact C-N 3.3Å; S155-Q157 PolarHBondContact O-N 3.22Å; Q157-K161 VanDerWaalsContact O-CG 3.28Å; Q157-K161 WeakPolarHBondContact O-CG 3.43Å; Q157-K161 PolarHBondContact O-N 3.48Å
158E78.9Confident78.1Confident97 Ų9784 Ų8445%0.45340%0.404SS..Hα-helixtrans-74.9-49.1177.5-70.1177.3-17600110.7K154 S155 S160 K161 E162K154-E158 WeakPolarHBondContact CE-OE1 3.46Å; K154-E158 IonicContact NZ-OE1 3.9Å; K154-E158 PolarHBondContact O-N 3.29Å; K154-E158 VanDerWaalsContact O-N 3.11Å; S155-E158 PolarHBondContact O-N 2.95Å; E158-S160 VanDerWaalsContact C-N 3.32Å; E158-S160 PolarHBondContact O-N 3.08Å; E158-K161 WeakPolarHBondContact O-CB 3.32Å; E158-K161 PolarHBondContact O-N 2.8Å; E158-E162 PolarHBondContact O-N 3.28Å; E158-E162 VanDerWaalsContact O-N 3.1Å
159L78.8Confident78.1Confident25 Ų2580.3 Ų80.313%0.13140%0.398CS..Hα-helixtrans-56.4-43.1172.9-83.7152.6000112.6K95 F99 S155 K161 E162 K163 I170K95-L159 HydrophobicContact CB-CD2 4.39Å; F99-L159 HydrophobicContact CB-CD1 3.59Å; F99-L159 HydrophobicContact CD1-CD1 3.8Å; F99-L159 HydrophobicContact CD2-CD1 3.85Å; F99-L159 HydrophobicContact CG-CD1 3.41Å; F99-L159 VanDerWaalsContact CG-CD1 3.41Å; S155-L159 PolarHBondContact O-N 3.35Å; L159-K161 PolarHBondContact O-N 2.7Å; L159-E162 PolarHBondContact O-N 3.37Å; L159-K163 PolarHBondContact O-N 3.47Å; L159-I170 HydrophobicContact CB-CD1 4.1Å
160S78Confident78.2Confident26 Ų2679.4 Ų79.418%0.18239%0.394CS..Hα-helixtrans-68.4-18.1177.8-59.50000114.1A156 E158A156-S160 VanDerWaalsContact O-CB 3.25Å; A156-S160 WeakPolarHBondContact O-CB 3.39Å; A156-S160 PolarHBondContact O-N 3.21Å; A156-S160 PolarHBondContact O-OG 3.31Å; E158-S160 VanDerWaalsContact C-N 3.32Å; E158-S160 PolarHBondContact O-N 3.08Å
161K76.6Confident78.1Confident164 Ų16476.8 Ų76.871%0.71338%0.383SS*.Hα-helixtrans-86-40.1173.5-79.1169.9-175.5167.40112.1Q157 E158 L159Q157-K161 VanDerWaalsContact O-CG 3.28Å; Q157-K161 WeakPolarHBondContact O-CG 3.43Å; Q157-K161 PolarHBondContact O-N 3.48Å; E158-K161 WeakPolarHBondContact O-CB 3.32Å; E158-K161 PolarHBondContact O-N 2.8Å; L159-K161 PolarHBondContact O-N 2.7Å
162E74.7Confident78.3Confident124 Ų12475 Ų7558%0.57938%0.381SS*.Hα-helixtrans-66.3-38.7179.4-68.2-163.1156.600111.9K95 E158 L159K95-E162 IonicContact NZ-OE2 3.04Å; K95-E162 PolarHBondContact NZ-OE2 2.94Å; E158-E162 PolarHBondContact O-N 3.28Å; E158-E162 VanDerWaalsContact O-N 3.1Å; L159-E162 PolarHBondContact O-N 3.37Å
163K77Confident78.3Confident60 Ų6078.9 Ų78.926%0.26140%0.395SS..  trans-139.199.2-178.6-64.1-66.4176.3170.50110.8L159 E165 F166L159-K163 PolarHBondContact O-N 3.47Å; K163-E165 HydrophobicContact CB-CG 4.06Å; K163-E165 PolarHBondContact O-N 3.2Å; K163-E165 VanDerWaalsContact O-N 3.09Å; K163-F166 HydrophobicContact CB-CD2 3.65Å; K163-F166 HydrophobicContact CB-CE2 3.8Å; K163-F166 HydrophobicContact CB-CG 4.09Å; K163-F166 HydrophobicContact CB-CZ 4.35Å; K163-F166 HydrophobicContact CG-CD2 4.28Å; K163-F166 HydrophobicContact CG-CE2 3.94Å; K163-F166 HydrophobicContact CG-CZ 4.44Å; K163-F166 PolarHBondContact O-N 3.04Å; K163-F166 VanDerWaalsContact O-N 3.08Å
164P76.1Confident78.3Confident100 Ų10076.7 Ų76.765%0.64939%0.386SS*.G310 helixtrans-57.9-26.4-178.6-27.135.5000114.5F166 K167P164-F166 PolarHBondContact O-N 3.1Å; P164-K167 WeakPolarHBondContact O-CB 3.36Å; P164-K167 PolarHBondContact O-N 3.04Å
165E74.6Confident78.4Confident133 Ų13377.4 Ų77.462%0.62139%0.389SS*.G310 helixtrans-62.5-19.2176.456.9-170166.200114.6K163K163-E165 HydrophobicContact CB-CG 4.06Å; K163-E165 PolarHBondContact O-N 3.2Å; K163-E165 VanDerWaalsContact O-N 3.09Å
166F80.2Confident78.5Confident11 Ų1180.6 Ų80.65%0.04840%0.398CS..G310 helixtrans-90.4-14.7178.6-62.1-16.5000113.8N92 L96 K163 P164 D168 V169 I170N92-F166 HydrophobicContact CB-CE2 4.4Å; N92-F166 HydrophobicContact CB-CZ 4.14Å; L96-F166 HydrophobicContact CB-CD2 4.28Å; L96-F166 HydrophobicContact CB-CE2 4.16Å; L96-F166 HydrophobicContact CB-CZ 4.37Å; L96-F166 HydrophobicContact CD1-CB 3.96Å; L96-F166 HydrophobicContact CD1-CD2 4.2Å; L96-F166 HydrophobicContact CD1-CG 4Å; L96-F166 HydrophobicContact CD2-CD1 3.69Å; L96-F166 HydrophobicContact CD2-CD2 4.5Å; L96-F166 HydrophobicContact CD2-CE1 3.91Å; L96-F166 HydrophobicContact CD2-CG 4.02Å; L96-F166 HydrophobicContact CD2-CZ 4.39Å; L96-F166 HydrophobicContact CG-CG 4.43Å; K163-F166 HydrophobicContact CB-CD2 3.65Å; K163-F166 HydrophobicContact CB-CE2 3.8Å; K163-F166 HydrophobicContact CB-CG 4.09Å; K163-F166 HydrophobicContact CB-CZ 4.35Å; K163-F166 HydrophobicContact CG-CD2 4.28Å; K163-F166 HydrophobicContact CG-CE2 3.94Å; K163-F166 HydrophobicContact CG-CZ 4.44Å; K163-F166 PolarHBondContact O-N 3.04Å; K163-F166 VanDerWaalsContact O-N 3.08Å; P164-F166 PolarHBondContact O-N 3.1Å; F166-D168 VanDerWaalsContact C-N 3.32Å; F166-D168 PolarHBondContact O-N 2.86Å; F166-V169 PolarHBondContact O-N 2.74Å; F166-I170 HydrophobicContact CB-CD1 4.23Å; F166-I170 PolarHBondContact O-N 3.43Å
167K76.1Confident78.7Confident96 Ų9680.4 Ų80.442%0.41740%0.396SS..Hα-helixtrans-59.8-41.1-173-172.9-174.2173-166.50112.8P164 V169 I170 E171P164-K167 WeakPolarHBondContact O-CB 3.36Å; P164-K167 PolarHBondContact O-N 3.04Å; K167-V169 PolarHBondContact O-N 3.37Å; K167-I170 PolarHBondContact O-N 3.14Å; K167-E171 WeakPolarHBondContact CE-OE2 3.46Å; K167-E171 IonicContact NZ-OE2 3.74Å; K167-E171 PolarHBondContact NZ-OE2 3.29Å; K167-E171 PolarHBondContact O-N 2.68Å
168D77.2Confident78.8Confident141 Ų14176.3 Ų76.375%0.75438%0.381SS*.Hα-helixtrans-67.2-17.5-176.1-66.3-25.1000113.2F166F166-D168 VanDerWaalsContact C-N 3.32Å; F166-D168 PolarHBondContact O-N 2.86Å
169V78.8Confident79Confident71 Ų7178.5 Ų78.543%0.4339%0.389SS..Hα-helixtrans-91.4-38.6176.6-174.40000111.6L100 F166 K167L100-V169 HydrophobicContact CD1-CG1 3.95Å; L100-V169 HydrophobicContact CD2-CG1 4.24Å; F166-V169 PolarHBondContact O-N 2.74Å; K167-V169 PolarHBondContact O-N 3.37Å
170I80.9Confident79.2Confident2 Ų279.3 Ų79.31%0.0139%0.392CS..Hα-helixtrans-79.4-46.9-171.5-70.6167.6000112.9L96 F99 A156 L159 F166 K167 P172 K173 L174L96-I170 HydrophobicContact CD1-CD1 3.9Å; L96-I170 HydrophobicContact CD1-CG1 4.12Å; F99-I170 HydrophobicContact CD1-CD1 4.11Å; F99-I170 HydrophobicContact CD1-CG1 4.17Å; F99-I170 HydrophobicContact CE1-CD1 4.24Å; F99-I170 HydrophobicContact CE1-CG1 4.1Å; F99-I170 HydrophobicContact CE1-CG2 3.76Å; A156-I170 HydrophobicContact CB-CG2 3.53Å; L159-I170 HydrophobicContact CB-CD1 4.1Å; F166-I170 HydrophobicContact CB-CD1 4.23Å; F166-I170 PolarHBondContact O-N 3.43Å; K167-I170 PolarHBondContact O-N 3.14Å; I170-P172 VanDerWaalsContact C-CD 3.44Å; I170-K173 PolarHBondContact O-N 2.87Å; I170-L174 PolarHBondContact O-N 2.93Å
171E79.2Confident79.4Confident82 Ų8278.2 Ų78.238%0.38338%0.384SS..Hα-helixtrans-59-35.7-169.9-152.9-174.7132.300115.8K167 K175K167-E171 WeakPolarHBondContact CE-OE2 3.46Å; K167-E171 IonicContact NZ-OE2 3.74Å; K167-E171 PolarHBondContact NZ-OE2 3.29Å; K167-E171 PolarHBondContact O-N 2.68Å; E171-K175 IonicContact OE1-NZ 2.81Å; E171-K175 PolarHBondContact OE1-NZ 3.45Å
172P81.8Confident79.6Confident78 Ų7874.9 Ų74.951%0.50637%0.374SS..Hα-helixtrans-74.9-40.4179.826.7-32.3000113.9I170 L174 K175 E176I170-P172 VanDerWaalsContact C-CD 3.44Å; P172-L174 VanDerWaalsContact C-N 3.29Å; P172-L174 PolarHBondContact O-N 3.07Å; P172-K175 PolarHBondContact O-N 3.07Å; P172-E176 PolarHBondContact O-N 3.28Å
173K78.6Confident79.9Confident97 Ų9772.9 Ų72.942%0.42237%0.368SS..Hα-helixtrans-60.1-40.3180-85.5-79.3-167.6161.70111.7L103 E104 I170 E176 L177L103-K173 HydrophobicContact CD1-CB 4.49Å; E104-K173 IonicContact OE1-NZ 3.8Å; E104-K173 PolarHBondContact OE1-NZ 3.49Å; I170-K173 PolarHBondContact O-N 2.87Å; K173-E176 PolarHBondContact O-N 3.44Å; K173-L177 PolarHBondContact O-N 3.21Å
174L81.2Confident80Confident19 Ų1970 Ų7010%0.09936%0.355CS..Hα-helixtrans-70.2-36.1-175.9-171.1141.3000113.3L103 E153 A156 I170 P172 E176 L177 A178L103-L174 HydrophobicContact CD2-CD1 4.26Å; E153-L174 HydrophobicContact CB-CD1 4.42Å; E153-L174 HydrophobicContact CG-CD1 3.9Å; E153-L174 HydrophobicContact CG-CD2 3.46Å; E153-L174 VanDerWaalsContact CG-CD2 3.46Å; E153-L174 HydrophobicContact CG-CG 4.14Å; A156-L174 HydrophobicContact CB-CD1 3.74Å; I170-L174 PolarHBondContact O-N 2.93Å; P172-L174 VanDerWaalsContact C-N 3.29Å; P172-L174 PolarHBondContact O-N 3.07Å; L174-E176 VanDerWaalsContact C-N 3.29Å; L174-E176 PolarHBondContact O-N 3.46Å; L174-L177 PolarHBondContact O-N 3.32Å; L174-A178 PolarHBondContact O-N 2.93Å
175K81.5Confident80.2Confident128 Ų12867.9 Ų67.956%0.55734%0.337SS*.Hα-helixtrans-67.2-28.7176.3-73.2172.1-174.1162.10113.1E171 P172E171-K175 IonicContact OE1-NZ 2.81Å; E171-K175 PolarHBondContact OE1-NZ 3.45Å; P172-K175 PolarHBondContact O-N 3.07Å
176E81.6Confident80.4Confident117 Ų11765.9 Ų65.955%0.54733%0.333SS..Hα-helixtrans-70.2-45.4175.7-177.7169.3-16400111.3P172 K173 L174 K179 Q180P172-E176 PolarHBondContact O-N 3.28Å; K173-E176 PolarHBondContact O-N 3.44Å; L174-E176 VanDerWaalsContact C-N 3.29Å; L174-E176 PolarHBondContact O-N 3.46Å; E176-K179 PolarHBondContact O-N 2.93Å; E176-Q180 PolarHBondContact O-N 2.97Å
177L82.1Confident80.1Confident5 Ų568.6 Ų68.63%0.02635%0.346CS..Hα-helixtrans-60.6-47.1179.5178.859.6000112.8L103 L106 A107 V110 L149 K173 L174 K179 Q180 F181L103-L177 HydrophobicContact CD2-CD2 4.05Å; L106-L177 HydrophobicContact CB-CD2 4.17Å; L106-L177 HydrophobicContact CD2-CD2 3.91Å; L106-L177 HydrophobicContact CG-CD1 4.38Å; L106-L177 HydrophobicContact CG-CD2 3.98Å; A107-L177 HydrophobicContact CB-CD1 3.88Å; V110-L177 HydrophobicContact CG2-CD1 4.19Å; L149-L177 HydrophobicContact CD1-CD2 3.83Å; L149-L177 HydrophobicContact CD1-CG 3.79Å; K173-L177 PolarHBondContact O-N 3.21Å; L174-L177 PolarHBondContact O-N 3.32Å; L177-K179 PolarHBondContact O-N 2.98Å; L177-Q180 PolarHBondContact O-N 3.45Å; L177-Q180 VanDerWaalsContact O-N 3.15Å; L177-F181 PolarHBondContact O-N 3.4Å
178A81.1Confident79.8Confident26 Ų2664.2 Ų64.222%0.21533%0.327CS..Hα-helixtrans-57.4-37.3-179.100000112.7L149 L174 F181L149-A178 HydrophobicContact CD2-CB 4.36Å; L174-A178 PolarHBondContact O-N 2.93Å; A178-F181 PolarHBondContact O-N 3.32Å
179K83.4Confident79.5Confident144 Ų14463 Ų6363%0.62632%0.315SS*.Hα-helixtrans-67.3-42.2178.1-172.2-169.1170.8-1630112.5E176 L177 F181 D182 D183E176-K179 PolarHBondContact O-N 2.93Å; L177-K179 PolarHBondContact O-N 2.98Å; K179-F181 PolarHBondContact O-N 2.91Å; K179-D182 PolarHBondContact O-N 3.11Å; K179-D183 PolarHBondContact O-N 3.44Å
180Q82.1Confident79Confident41 Ų4166 Ų6619%0.19233%0.325CS..Hα-helixtrans-63.4-29.6-178.3-64.1179.71900111.8V110 Q111 E176 L177V110-Q180 VanDerWaalsContact CG1-C 3.48Å; V110-Q180 HydrophobicContact CG1-CB 3.65Å; V110-Q180 WeakPolarHBondContact CG1-O 3.33Å; Q111-Q180 VanDerWaalsContact NE2-OE1 3.12Å; E176-Q180 PolarHBondContact O-N 2.97Å; L177-Q180 PolarHBondContact O-N 3.45Å; L177-Q180 VanDerWaalsContact O-N 3.15Å
181F83.2Confident78.2Confident3 Ų367.9 Ų67.91%0.01333%0.333CS..Hα-helixtrans-71.8-42179.6-158.6-73000112.8W109 V110 I142 N145 K146 L149 L177 A178 K179 D183 L184 E185W109-F181 HydrophobicContact CZ3-CD2 4.5Å; W109-F181 AromaticContact CZ3-CE2 3.85Å; W109-F181 HydrophobicContact CZ3-CE2 3.85Å; V110-F181 HydrophobicContact CG2-CD2 3.76Å; V110-F181 HydrophobicContact CG2-CE2 4.48Å; I142-F181 HydrophobicContact CG2-CE1 4.22Å; I142-F181 HydrophobicContact CG2-CZ 4.34Å; I142-F181 WeakPolarHBondContact O-CZ 3.46Å; N145-F181 HydrophobicContact CB-CE2 4.43Å; K146-F181 HydrophobicContact CB-CE1 3.89Å; K146-F181 HydrophobicContact CB-CZ 3.81Å; K146-F181 HydrophobicContact CD-CE1 4.05Å; K146-F181 HydrophobicContact CG-CD1 4.5Å; K146-F181 HydrophobicContact CG-CE1 3.88Å; K146-F181 HydrophobicContact CG-CZ 4.25Å; L149-F181 HydrophobicContact CD2-CB 4.2Å; L149-F181 HydrophobicContact CD2-CG 4.31Å; L177-F181 PolarHBondContact O-N 3.4Å; A178-F181 PolarHBondContact O-N 3.32Å; K179-F181 PolarHBondContact O-N 2.91Å; F181-D183 PolarHBondContact O-N 3.38Å; F181-L184 WeakPolarHBondContact O-CB 3.13Å; F181-L184 PolarHBondContact O-N 2.72Å; F181-E185 PolarHBondContact O-N 2.99Å
182D81.3Confident77.5Confident94 Ų9464.3 Ų64.350%0.50332%0.318SS..Hα-helixtrans-65-38.3179-88.1-11.5000112.1K146 K179 L184 E185 V186K146-D182 IonicContact NZ-OD1 3.43Å; K179-D182 PolarHBondContact O-N 3.11Å; D182-L184 VanDerWaalsContact C-N 3.26Å; D182-L184 PolarHBondContact O-N 3.06Å; D182-E185 PolarHBondContact O-N 3.14Å; D182-V186 PolarHBondContact O-N 3.41Å
183D79.8Confident76.6Confident83 Ų8363.9 Ų63.944%0.44432%0.321SS..Hα-helixtrans-61.8-32.5177.2-73.5-26.5000112Y114 K179 F181Y114-D183 HydrophobicContact CE2-CB 4.14Å; K179-D183 PolarHBondContact O-N 3.44Å; F181-D183 PolarHBondContact O-N 3.38Å
184L80.3Confident75.8Confident0 Ų067 Ų670%034%0.339CS..Hα-helixtrans-71.8-37.4175.6169.662.8000113.2K113 Y114 I142 F181 D182 T188K113-L184 HydrophobicContact CB-CD1 4.22Å; K113-L184 HydrophobicContact CB-CD2 3.75Å; Y114-L184 HydrophobicContact CD2-CB 4.15Å; I142-L184 HydrophobicContact CD1-CD1 3.92Å; I142-L184 HydrophobicContact CD1-CD2 4.35Å; I142-L184 HydrophobicContact CD1-CG 4.01Å; I142-L184 HydrophobicContact CG1-CD2 4.25Å; I142-L184 HydrophobicContact CG1-CG 4.41Å; I142-L184 HydrophobicContact CG2-CD2 4.36Å; I142-L184 HydrophobicContact CG2-CG 4.38Å; F181-L184 WeakPolarHBondContact O-CB 3.13Å; F181-L184 PolarHBondContact O-N 2.72Å; D182-L184 VanDerWaalsContact C-N 3.26Å; D182-L184 PolarHBondContact O-N 3.06Å; L184-T188 PolarHBondContact O-N 3.35Å; L184-T188 PolarHBondContact O-OG1 3.49Å
185E79.3Confident74.7Confident55 Ų5568.1 Ų68.126%0.25735%0.345SS..Hα-helixtrans-69.1-35.7-176.6-160.2-171.713500112K146 F181 D182 K189K146-E185 IonicContact NZ-OE2 3.31Å; K146-E185 PolarHBondContact NZ-OE2 2.97Å; F181-E185 PolarHBondContact O-N 2.99Å; D182-E185 PolarHBondContact O-N 3.14Å; E185-K189 IonicContact OE1-NZ 2.72Å; E185-K189 PolarHBondContact OE1-NZ 3.31Å
186V79Confident73.5Confident91 Ų9165.3 Ų65.355%0.55233%0.333SS*.Hα-helixtrans-68.6-52.5179.6176.70000111.3D182 T188 K189D182-V186 PolarHBondContact O-N 3.41Å; V186-T188 PolarHBondContact O-N 3Å; V186-K189 PolarHBondContact O-N 3.25Å
187H72.9Confident72.4Confident68 Ų6865.3 Ų65.332%0.31534%0.337SS..Hα-helixtrans-62.3-32-174.1-172.1-106000113S117S117-H187 PolarHBondContact O-CE1 3.07Å; S117-H187 VanDerWaalsContact O-CE1 3.29Å; S117-H187 PolarHBondContact OG-ND1 3.09Å
188T71.6Confident71.1Confident4 Ų468.9 Ų68.93%0.02537%0.367CS..Hα-helixtrans-68.4-38.5-178.7-560000112.4H135 F138 E139 I142 L184 V186H135-T188 PolarHBondContact CE1-O 3.36Å; H135-T188 VanDerWaalsContact CE1-O 3.31Å; F138-T188 HydrophobicContact CD1-CG2 3.66Å; F138-T188 HydrophobicContact CE1-CG2 3.78Å; E139-T188 HydrophobicContact CG-CG2 3.69Å; I142-T188 HydrophobicContact CD1-CG2 4Å; I142-T188 WeakPolarHBondContact CD1-OG1 3.34Å; L184-T188 PolarHBondContact O-N 3.35Å; L184-T188 PolarHBondContact O-OG1 3.49Å; V186-T188 PolarHBondContact O-N 3Å
189K69.5Low70.2Confident114 Ų11470.6 Ų70.650%0.49637%0.372SS..Hα-helixtrans-69.7-35.8-175.5-70.5172.5-174.5166.40113.5E185 V186 K191 G192E185-K189 IonicContact OE1-NZ 2.72Å; E185-K189 PolarHBondContact OE1-NZ 3.31Å; V186-K189 PolarHBondContact O-N 3.25Å; K189-K191 VanDerWaalsContact C-N 3.29Å; K189-K191 PolarHBondContact O-N 2.91Å; K189-G192 PolarHBondContact O-N 3.29Å
190E68.1Low69.4Low135 Ų13565.7 Ų65.763%0.63135%0.35SS*.Hα-helixtrans-66.4-32.8-178.1-62.6-171.7148.400112.4G192E190-G192 PolarHBondContact O-N 2.95Å
191K65.1Low68.4Low41 Ų4167.9 Ų67.918%0.17836%0.36CS..Hα-helixtrans-69.4-29.4179.9172.3171.4152.8-175.20113.7S117 Y122 K189S117-K191 PolarHBondContact O-NZ 2.7Å; Y122-K191 HydrophobicContact CD2-CD 4.45Å; Y122-K191 HydrophobicContact CE2-CD 3.82Å; Y122-K191 VanDerWaalsContact CE2-NZ 3.31Å; Y122-K191 PolarHBondContact OH-NZ 3.1Å; K189-K191 VanDerWaalsContact C-N 3.29Å; K189-K191 PolarHBondContact O-N 2.91Å
192G63.6Low67.7Low7 Ų771 Ų717%0.07238%0.379CS..Hα-helixtrans-67.6-45-179.400000113W132 H135 K189 E190 M194 L195W132-G192 WeakPolarHBondContact CZ3-O 3.34Å; H135-G192 VanDerWaalsContact CD2-CA 3.41Å; H135-G192 WeakPolarHBondContact CD2-CA 3.46Å; H135-G192 WeakPolarHBondContact NE2-CA 3.48Å; H135-G192 PolarHBondContact NE2-N 3.5Å; H135-G192 VanDerWaalsContact NE2-N 3.12Å; K189-G192 PolarHBondContact O-N 3.29Å; E190-G192 PolarHBondContact O-N 2.95Å; G192-M194 VanDerWaalsContact C-N 3.25Å; G192-M194 PolarHBondContact O-N 3.43Å; G192-L195 PolarHBondContact O-N 3.1Å; G192-L195 VanDerWaalsContact O-N 3.14Å
193A63.1Low67Low69 Ų6969.1 Ų69.157%0.5737%0.369SS*.Hα-helixtrans-54.2-40.3-177.700000112.9L195A193-L195 VanDerWaalsContact C-N 3.34Å; A193-L195 PolarHBondContact O-N 3.47Å
194M61Low66.5Low163 Ų16365.4 Ų65.480%0.80335%0.349SS*.Hα-helixtrans-72.9-19.2-175.9-58.5-163.881.300114.9G192G192-M194 VanDerWaalsContact C-N 3.25Å; G192-M194 PolarHBondContact O-N 3.43Å
195L58.9Low66Low42 Ų4270 Ų7022%0.2237%0.37CS..Hα-helixtrans-84.7-18.2-179-79.8165.8000113.4W132 G192 A193W132-L195 HydrophobicContact CE3-CB 4.26Å; G192-L195 PolarHBondContact O-N 3.1Å; G192-L195 VanDerWaalsContact O-N 3.14Å; A193-L195 VanDerWaalsContact C-N 3.34Å; A193-L195 PolarHBondContact O-N 3.47Å
196F56.3Low65.6Low70 Ų7073.2 Ų73.231%0.30739%0.386SS..Hα-helixtrans-85.2-39.6-169.7-164-98.9000113.7W132 A198W132-F196 HydrophobicContact CD2-CD2 4.31Å; W132-F196 AromaticContact CE2-CD2 3.92Å; W132-F196 HydrophobicContact CE3-CD2 4.39Å; W132-F196 HydrophobicContact CH2-CB 4.47Å; W132-F196 AromaticContact CH2-CD2 3.77Å; W132-F196 HydrophobicContact CH2-CD2 3.77Å; W132-F196 HydrophobicContact CH2-CE2 4.5Å; W132-F196 HydrophobicContact CH2-CG 4.49Å; W132-F196 AromaticContact CZ2-CD2 3.65Å; W132-F196 HydrophobicContact CZ2-CD2 3.65Å; W132-F196 AromaticContact CZ2-CE2 3.99Å; W132-F196 HydrophobicContact CZ2-CE2 3.99Å; W132-F196 HydrophobicContact CZ3-CB 4.28Å; W132-F196 HydrophobicContact CZ3-CD2 4.15Å; F196-A198 VanDerWaalsContact C-N 3.31Å; F196-A198 PolarHBondContact O-N 3.03Å
197D57.8Low65.2Low117 Ų11770.2 Ų70.263%0.62637%0.367SS*.THydrogen-bonded Turntrans-73.5-15.6-170.9-77.7-27.6000115N199D197-N199 PolarHBondContact O-N 3.17Å
198A56.3Low65.3Low80 Ų8067.1 Ų67.166%0.66135%0.353SS*.THydrogen-bonded Turntrans-82.7-12.1-166.800000116.3F196F196-A198 VanDerWaalsContact C-N 3.31Å; F196-A198 PolarHBondContact O-N 3.03Å
199N60.7Low65.4Low61 Ų6170.7 Ų70.733%0.32637%0.372SS..  trans-154.444.1-169.2-148.67.8000116I128 D197 E201I128-N199 HydrophobicContact CD1-CB 4.15Å; I128-N199 WeakPolarHBondContact CD1-ND2 3.5Å; I128-N199 HydrophobicContact CG2-CB 4.4Å; D197-N199 PolarHBondContact O-N 3.17Å; N199-E201 PolarHBondContact O-N 2.91Å
200R66.6Low65.7Low42 Ų4268.6 Ų68.616%0.15837%0.367CS..Hα-helixtrans-58.5-43.1-174.3-174.981.876.2135.23.8115Y264 L265R200-Y264 VanDerWaalsContact CZ-CG 3.46Å; R200-Y264 VanDerWaalsContact NH2-CD1 3.29Å; R200-Y264 VanDerWaalsContact NH2-CE1 3.26Å; R200-L265 HydrophobicContact CB-CD2 4.12Å; R200-L265 HydrophobicContact CG-CD1 4.23Å; R200-L265 HydrophobicContact CG-CD2 3.56Å; R200-L265 HydrophobicContact CG-CG 3.73Å
201E62.8Low66.1Low87 Ų8762.2 Ų62.241%0.40734%0.337SS..Hα-helixtrans-67.7-49.6-169.6-174.7-178.6174.300113.3N199 L203 V204 L265N199-E201 PolarHBondContact O-N 2.91Å; E201-L203 VanDerWaalsContact C-N 3.27Å; E201-L203 PolarHBondContact O-N 2.63Å; E201-V204 PolarHBondContact O-N 2.74Å; E201-L265 HydrophobicContact CB-CD2 4.25Å
202V67.4Low66.5Low68 Ų6862.7 Ų62.741%0.41234%0.341SS..Hα-helixtrans-65.1-31.3-174.3-179.80000112.2Q206V202-Q206 PolarHBondContact O-N 3.44Å
203L66.6Low67.3Low55 Ų5565.7 Ų65.729%0.28836%0.361SS..Hα-helixtrans-63.5-48.4-179.2-124.577.6000111.7H129 E201 Q205 Q206 T207H129-L203 HydrophobicContact CB-CD1 4.18Å; E201-L203 VanDerWaalsContact C-N 3.27Å; E201-L203 PolarHBondContact O-N 2.63Å; L203-Q205 PolarHBondContact O-N 2.77Å; L203-Q206 PolarHBondContact O-N 3.09Å; L203-T207 PolarHBondContact O-N 3.34Å; L203-T207 VanDerWaalsContact O-N 3.09Å; L203-T207 PolarHBondContact O-OG1 3.35Å
204V69.4Low68.1Low4 Ų463.9 Ų63.92%0.02434%0.34CS..Hα-helixtrans-62.1-42.7-174.2175.90000111.6E201 T207 C208 I258 Q261 L265 I277E201-V204 PolarHBondContact O-N 2.74Å; V204-T207 PolarHBondContact O-N 3.43Å; V204-C208 PolarHBondContact O-N 3.41Å; V204-C208 PolarHBondContact O-SG 3.49Å; V204-I258 HydrophobicContact CG1-CG2 4.31Å; V204-Q261 HydrophobicContact CG2-CB 3.61Å; V204-L265 HydrophobicContact CB-CD1 4.25Å; V204-L265 HydrophobicContact CG2-CD1 3.78Å; V204-I277 HydrophobicContact CG1-CG2 3.91Å
205Q69.5Low68.8Low96 Ų9656.1 Ų56.145%0.44930%0.302SS..Hα-helixtrans-67.9-41.2-178.1-168.7169.4-0.600112L203 C208 D209L203-Q205 PolarHBondContact O-N 2.77Å; Q205-C208 PolarHBondContact O-N 3.11Å; Q205-D209 PolarHBondContact O-N 3.08Å
206Q71.8Confident69.7Low124 Ų12456.3 Ų56.358%0.57930%0.304SS*.Hα-helixtrans-66.1-36.8176.4-71.8-174.9-21.700112.7V202 L203 D209 D210V202-Q206 PolarHBondContact O-N 3.44Å; L203-Q206 PolarHBondContact O-N 3.09Å; Q206-D209 PolarHBondContact O-N 3.19Å; Q206-D210 PolarHBondContact O-N 3.17Å
207T69.8Low70.6Confident27 Ų2756.5 Ų56.517%0.16631%0.308CS..Hα-helixtrans-69.9-31.9178.4-43.50000112.2L203 V204 I211 Q254 I258L203-T207 PolarHBondContact O-N 3.34Å; L203-T207 VanDerWaalsContact O-N 3.09Å; L203-T207 PolarHBondContact O-OG1 3.35Å; V204-T207 PolarHBondContact O-N 3.43Å; T207-I211 HydrophobicContact CG2-CD1 4.18Å; T207-I211 WeakPolarHBondContact O-CD1 3.44Å; T207-I211 WeakPolarHBondContact O-CG1 2.87Å; T207-I211 PolarHBondContact O-N 2.68Å; T207-Q254 HydrophobicContact CG2-CB 3.94Å; T207-Q254 HydrophobicContact CG2-CG 4.38Å; T207-I258 HydrophobicContact CG2-CD1 3.66Å; T207-I258 HydrophobicContact CG2-CG1 4Å
208C74.5Confident71.4Confident3 Ų351.1 Ų51.12%0.0228%0.28CS..Hα-helixtrans-64.2-40.7173.6-66.60000112.8V204 Q205 D212V204-C208 PolarHBondContact O-N 3.41Å; V204-C208 PolarHBondContact O-SG 3.49Å; Q205-C208 PolarHBondContact O-N 3.11Å; C208-D212 PolarHBondContact O-N 3.12Å
209D74.1Confident72.3Confident79 Ų7950.7 Ų50.742%0.42226%0.264SS..Hα-helixtrans-67.6-39.1178.5-83.4-63.5000113Q205 Q206 D212 S213 K280Q205-D209 PolarHBondContact O-N 3.08Å; Q206-D209 PolarHBondContact O-N 3.19Å; D209-D212 PolarHBondContact O-N 3.5Å; D209-S213 PolarHBondContact O-N 3.31Å; D209-K280 WeakPolarHBondContact OD1-CE 3.43Å; D209-K280 IonicContact OD1-NZ 3.66Å; D209-K280 PolarHBondContact OD1-NZ 3.08Å; D209-K280 IonicContact OD2-NZ 2.71Å; D209-K280 PolarHBondContact OD2-NZ 3.43Å
210D76.8Confident73Confident71 Ų7153.9 Ų53.938%0.3828%0.275SS..Hα-helixtrans-63.2-39176.4171.237.4000112.5Q206 Y214 K251Q206-D210 PolarHBondContact O-N 3.17Å; D210-Y214 PolarHBondContact O-N 2.95Å; D210-K251 IonicContact OD1-NZ 2.62Å; D210-K251 PolarHBondContact OD1-NZ 3.33Å; D210-K251 IonicContact OD2-NZ 3.39Å; D210-K251 PolarHBondContact OD2-NZ 3.41Å
211I75.2Confident73.1Confident0 Ų056.5 Ų56.50%029%0.289CS..Hα-helixtrans-72.2-42178.2-63.4161.2000111.5T207 S213 Y214 I215 K251 Q254 V255 I258 V284 F288T207-I211 HydrophobicContact CG2-CD1 4.18Å; T207-I211 WeakPolarHBondContact O-CD1 3.44Å; T207-I211 WeakPolarHBondContact O-CG1 2.87Å; T207-I211 PolarHBondContact O-N 2.68Å; I211-S213 PolarHBondContact O-N 3.28Å; I211-Y214 PolarHBondContact O-N 3.25Å; I211-I215 HydrophobicContact CG2-CD1 3.71Å; I211-I215 HydrophobicContact CG2-CG1 4.26Å; I211-I215 WeakPolarHBondContact O-CB 3.47Å; I211-I215 VanDerWaalsContact O-CG1 3.29Å; I211-I215 WeakPolarHBondContact O-CG1 3.31Å; I211-I215 PolarHBondContact O-N 3.49Å; I211-K251 HydrophobicContact CG1-CD 4.27Å; I211-Q254 HydrophobicContact CD1-CB 4.19Å; I211-V255 HydrophobicContact CD1-CG2 3.94Å; I211-I258 HydrophobicContact CD1-CD1 3.4Å; I211-V284 HydrophobicContact CB-CG1 3.82Å; I211-V284 HydrophobicContact CG2-CG1 3.43Å; I211-V284 VanDerWaalsContact CG2-CG1 3.43Å; I211-F288 HydrophobicContact CG2-CD2 4.36Å
212D74.9Confident73.3Confident51 Ų5154.7 Ų54.727%0.27328%0.282SS..Hα-helixtrans-66-36.5-178.5-163.158.1000113C208 D209 T216 V284 R287C208-D212 PolarHBondContact O-N 3.12Å; D209-D212 PolarHBondContact O-N 3.5Å; D212-T216 WeakPolarHBondContact O-CB 3.33Å; D212-T216 PolarHBondContact O-N 2.78Å; D212-T216 VanDerWaalsContact O-N 3.13Å; D212-T216 PolarHBondContact O-OG1 3.45Å; D212-V284 HydrophobicContact CB-CG1 4.48Å; D212-V284 HydrophobicContact CB-CG2 3.8Å; D212-R287 IonicContact OD1-CZ 2.8Å; D212-R287 IonicContact OD1-NH1 3.43Å; D212-R287 PolarHBondContact OD1-NH1 3.17Å; D212-R287 IonicContact OD2-NH1 3.74Å; D212-R287 PolarHBondContact OD2-NH1 2.92Å
213S78.8Confident73.2Confident70 Ų7057.6 Ų57.649%0.4930%0.299SS..Hα-helixtrans-63.6-45.9172.7-1670000111.4D209 I211 T216 D217D209-S213 PolarHBondContact O-N 3.31Å; I211-S213 PolarHBondContact O-N 3.28Å; S213-T216 PolarHBondContact O-N 2.83Å; S213-D217 PolarHBondContact O-N 3.1Å; S213-D217 VanDerWaalsContact O-N 3.13Å
214Y80.5Confident72.9Confident32 Ų3257.8 Ų57.813%0.12531%0.305CS..Hα-helixtrans-63.9-43.1-179.8175.3-104.5000112.8D210 I211 T216 D217 L218 I244 Q247 M248 K251D210-Y214 PolarHBondContact O-N 2.95Å; I211-Y214 PolarHBondContact O-N 3.25Å; Y214-T216 VanDerWaalsContact C-N 3.31Å; Y214-T216 PolarHBondContact O-N 3.48Å; Y214-D217 PolarHBondContact O-N 3.46Å; Y214-L218 HydrophobicContact CD1-CD1 3.98Å; Y214-L218 HydrophobicContact CD1-CG 4.47Å; Y214-L218 HydrophobicContact CE1-CD1 3.32Å; Y214-L218 HydrophobicContact CE1-CG 4.02Å; Y214-L218 HydrophobicContact CE2-CD1 4.36Å; Y214-L218 HydrophobicContact CE2-CG 4.21Å; Y214-L218 PolarHBondContact O-N 2.99Å; Y214-I244 PolarHBondContact OH-O 3.12Å; Y214-Q247 HydrophobicContact CE2-CB 4.05Å; Y214-Q247 WeakPolarHBondContact OH-CB 3.32Å; Y214-M248 HydrophobicContact CE1-CG 4.43Å; Y214-M248 HydrophobicContact CE1-SD 3.86Å; Y214-M248 PolarHBondContact OH-N 3.34Å; Y214-K251 HydrophobicContact CD1-CB 4.5Å; Y214-K251 HydrophobicContact CD1-CD 4.39Å; Y214-K251 HydrophobicContact CD1-CG 3.53Å; Y214-K251 HydrophobicContact CE1-CB 4.46Å; Y214-K251 HydrophobicContact CE1-CG 3.65Å; Y214-K251 HydrophobicContact CG-CG 4.19Å
215I76.7Confident72.3Confident0 Ų060.6 Ų60.60%034%0.335CS..Hα-helixtrans-55.2-47.2172.4-75.8171.6000110.7I211 D217 L218 E219 V284 R287 F288 I291I211-I215 HydrophobicContact CG2-CD1 3.71Å; I211-I215 HydrophobicContact CG2-CG1 4.26Å; I211-I215 WeakPolarHBondContact O-CB 3.47Å; I211-I215 VanDerWaalsContact O-CG1 3.29Å; I211-I215 WeakPolarHBondContact O-CG1 3.31Å; I211-I215 PolarHBondContact O-N 3.49Å; I215-D217 VanDerWaalsContact C-N 3.31Å; I215-D217 PolarHBondContact O-N 3.33Å; I215-L218 PolarHBondContact O-N 3.29Å; I215-E219 WeakPolarHBondContact O-CG 3.47Å; I215-E219 PolarHBondContact O-N 3.22Å; I215-V284 HydrophobicContact CD1-CG1 4.02Å; I215-R287 HydrophobicContact CD1-CB 4.09Å; I215-R287 HydrophobicContact CG2-CB 3.68Å; I215-F288 HydrophobicContact CD1-CB 3.85Å; I215-F288 HydrophobicContact CD1-CD2 4.11Å; I215-F288 HydrophobicContact CD1-CG 4.5Å; I215-F288 HydrophobicContact CG1-CD2 4.17Å; I215-I291 HydrophobicContact CB-CD1 4.21Å; I215-I291 HydrophobicContact CG1-CD1 4.38Å; I215-I291 HydrophobicContact CG2-CD1 3.61Å
216T76.6Confident71.8Confident45 Ų4560.3 Ų60.328%0.27634%0.336SS..Hα-helixtrans-66.4-30.3-177.5-56.40000113D212 S213 Y214 R287D212-T216 WeakPolarHBondContact O-CB 3.33Å; D212-T216 PolarHBondContact O-N 2.78Å; D212-T216 VanDerWaalsContact O-N 3.13Å; D212-T216 PolarHBondContact O-OG1 3.45Å; S213-T216 PolarHBondContact O-N 2.83Å; Y214-T216 VanDerWaalsContact C-N 3.31Å; Y214-T216 PolarHBondContact O-N 3.48Å; T216-R287 PolarHBondContact OG1-NH1 2.91Å; T216-R287 PolarHBondContact OG1-NH2 3.32Å
217D75.5Confident71.2Confident74 Ų7459.7 Ų59.740%0.39634%0.342SS..Hα-helixtrans-82.5-31.2174.3-72.7-29.5000113.1S213 Y214 I215 K220 Q221S213-D217 PolarHBondContact O-N 3.1Å; S213-D217 VanDerWaalsContact O-N 3.13Å; Y214-D217 PolarHBondContact O-N 3.46Å; I215-D217 VanDerWaalsContact C-N 3.31Å; I215-D217 PolarHBondContact O-N 3.33Å; D217-K220 PolarHBondContact O-N 3.41Å; D217-K220 IonicContact OD1-NZ 3.77Å; D217-K220 PolarHBondContact OD1-NZ 3.13Å; D217-Q221 PolarHBondContact O-N 3.33Å
218L75.5Confident71.1Confident4 Ų458.7 Ų58.72%0.02134%0.336CS..Hα-helixtrans-64.6-42.9169.8-80.6-177.6000112.7Y214 I215 K220 Q221 I222 I244 M248 I291Y214-L218 HydrophobicContact CD1-CD1 3.98Å; Y214-L218 HydrophobicContact CD1-CG 4.47Å; Y214-L218 HydrophobicContact CE1-CD1 3.32Å; Y214-L218 HydrophobicContact CE1-CG 4.02Å; Y214-L218 HydrophobicContact CE2-CD1 4.36Å; Y214-L218 HydrophobicContact CE2-CG 4.21Å; Y214-L218 PolarHBondContact O-N 2.99Å; I215-L218 PolarHBondContact O-N 3.29Å; L218-K220 PolarHBondContact O-N 2.78Å; L218-Q221 PolarHBondContact O-N 3.47Å; L218-I222 WeakPolarHBondContact O-CG1 3.49Å; L218-I222 PolarHBondContact O-N 3.23Å; L218-I244 HydrophobicContact CD2-CG1 4.22Å; L218-I244 HydrophobicContact CD2-CG2 3.73Å; L218-M248 HydrophobicContact CD1-CG 4.17Å; L218-M248 HydrophobicContact CD1-SD 3.54Å; L218-M248 VanDerWaalsContact CD1-SD 3.54Å; L218-I291 HydrophobicContact CD1-CG2 4.22Å
219E74.4Confident71.1Confident72 Ų7264.7 Ų64.734%0.33637%0.368SS..Hα-helixtrans-55.3-39.9178.2-75.8170.2172.100111.2I215 V223 R287 I291I215-E219 WeakPolarHBondContact O-CG 3.47Å; I215-E219 PolarHBondContact O-N 3.22Å; E219-V223 WeakPolarHBondContact O-CG2 3.22Å; E219-V223 PolarHBondContact O-N 2.87Å; E219-R287 IonicContact OE1-CZ 2.72Å; E219-R287 IonicContact OE1-NE 3.46Å; E219-R287 PolarHBondContact OE1-NE 3.29Å; E219-R287 IonicContact OE1-NH2 3.84Å; E219-R287 PolarHBondContact OE1-NH2 3Å; E219-R287 IonicContact OE2-CZ 2.93Å; E219-R287 IonicContact OE2-NH2 3.94Å; E219-R287 PolarHBondContact OE2-NH2 3.45Å; E219-I291 HydrophobicContact CG-CD1 3.61Å; E219-I291 HydrophobicContact CG-CG1 4.18Å
220K75.7Confident71.1Confident128 Ų12864.2 Ų64.256%0.55737%0.365SS*.Hα-helixtrans-64.4-41.9174.7-64169.9-164.1154.20112.7D217 L218 I222 V223 S224D217-K220 PolarHBondContact O-N 3.41Å; D217-K220 IonicContact OD1-NZ 3.77Å; D217-K220 PolarHBondContact OD1-NZ 3.13Å; L218-K220 PolarHBondContact O-N 2.78Å; K220-I222 VanDerWaalsContact C-N 3.33Å; K220-I222 PolarHBondContact O-N 2.87Å; K220-V223 PolarHBondContact O-N 2.77Å; K220-S224 PolarHBondContact O-N 3.4Å
221Q67.6Low71.2Confident97 Ų9762.6 Ų62.645%0.45336%0.356SS..Hα-helixtrans-74.2-20.4-177.5-67.9-177.622.800114D217 L218 S224 R298D217-Q221 PolarHBondContact O-N 3.33Å; L218-Q221 PolarHBondContact O-N 3.47Å; Q221-S224 PolarHBondContact O-OG 3.36Å; Q221-S224 VanDerWaalsContact O-OG 3.06Å; Q221-R298 PolarHBondContact O-NH1 2.66Å
222I68.5Low71.2Confident48 Ų4866.8 Ų66.825%0.24638%0.382CS..Hα-helixtrans-80.6-34.9174.4-67.2167.9000110.8L218 K220 S224 I291 P294 L295L218-I222 WeakPolarHBondContact O-CG1 3.49Å; L218-I222 PolarHBondContact O-N 3.23Å; K220-I222 VanDerWaalsContact C-N 3.33Å; K220-I222 PolarHBondContact O-N 2.87Å; I222-S224 VanDerWaalsContact C-N 3.35Å; I222-I291 HydrophobicContact CD1-CG2 3.75Å; I222-P294 HydrophobicContact CG2-CB 4.16Å; I222-L295 HydrophobicContact CD1-CD1 4.41Å; I222-L295 HydrophobicContact CD1-CD2 3.8Å; I222-L295 HydrophobicContact CD1-CG 3.88Å; I222-L295 HydrophobicContact CG1-CD2 3.88Å; I222-L295 HydrophobicContact CG1-CG 4.49Å
223V63.8Low71.4Confident129 Ų12966 Ų6678%0.78238%0.38SS*.Hα-helixtrans-71.7-27.7177.2175.10000112.3E219 K220 G225E219-V223 WeakPolarHBondContact O-CG2 3.22Å; E219-V223 PolarHBondContact O-N 2.87Å; K220-V223 PolarHBondContact O-N 2.77Å; V223-G225 PolarHBondContact O-N 2.93Å; V223-G225 VanDerWaalsContact O-N 3.1Å
224S60.9Low71.5Confident59 Ų5962.6 Ų62.641%0.41336%0.357SS..SBendtrans-76.988.5167.9570000111.4K220 Q221 I222 D226K220-S224 PolarHBondContact O-N 3.4Å; Q221-S224 PolarHBondContact O-OG 3.36Å; Q221-S224 VanDerWaalsContact O-OG 3.06Å; I222-S224 VanDerWaalsContact C-N 3.35Å; S224-D226 PolarHBondContact O-N 3.17Å
225G56.6Low71.3Confident63 Ų6363.8 Ų63.865%0.64937%0.365SS*.  trans-74.479.2178.600000114.1V223 T227V223-G225 PolarHBondContact O-N 2.93Å; V223-G225 VanDerWaalsContact O-N 3.1Å; G225-T227 PolarHBondContact O-N 2.96Å
226D58.8Low71.5Confident90 Ų9067.7 Ų67.748%0.48139%0.385SS..PPolyproline II helixtrans-67.4119172-72.5-18.9000111.5S224 L237S224-D226 PolarHBondContact O-N 3.17Å; D226-L237 HydrophobicContact CB-CD1 4.08Å; D226-L237 HydrophobicContact CB-CD2 4.14Å
227T59.3Low71.5Confident112 Ų11266.3 Ų66.369%0.68738%0.376SS*.PPolyproline II helixtrans-98122.4170.540.90000111.4G225G225-T227 PolarHBondContact O-N 2.96Å
228A67.6Low71.6Confident5 Ų564.1 Ų64.14%0.04136%0.364CS..PPolyproline II helixtrans-84.2147.5172.800000112.6S233 V234 L237 K305A228-S233 WeakPolarHBondContact CB-OG 3.04Å; A228-V234 HydrophobicContact CB-CB 4.25Å; A228-V234 HydrophobicContact CB-CG2 3.46Å; A228-V234 VanDerWaalsContact CB-CG2 3.46Å; A228-L237 HydrophobicContact CB-CD1 3.68Å; A228-L237 HydrophobicContact CB-CG 4.43Å; A228-K305 PolarHBondContact O-NZ 3.33Å
229N74.4Confident71.7Confident130 Ų13070.5 Ų70.570%0.69539%0.394SS*.  trans-123-7.8-170-67.3-23.6000114S233 F309N229-S233 PolarHBondContact N-OG 3.41Å; N229-S233 VanDerWaalsContact N-OG 3.14Å; N229-F309 WeakPolarHBondContact O-CE1 3.3Å; N229-F309 WeakPolarHBondContact O-CZ 3.43Å
230D75.2Confident71.9Confident68 Ų6872.6 Ų72.636%0.36440%0.402SS..SBendtrans-150.6166.8178.976.7-34.8000111.5T232 S233 V234D230-T232 PolarHBondContact O-N 2.95Å; D230-T232 VanDerWaalsContact OD2-CB 3.25Å; D230-T232 WeakPolarHBondContact OD2-CB 3.02Å; D230-T232 PolarHBondContact OD2-OG1 3.28Å; D230-T232 VanDerWaalsContact OD2-OG1 3.1Å; D230-S233 PolarHBondContact N-OG 2.88Å; D230-S233 PolarHBondContact O-N 3.37Å; D230-S233 PolarHBondContact O-OG 3.01Å; D230-S233 VanDerWaalsContact O-OG 3.13Å; D230-S233 WeakPolarHBondContact OD1-CA 3.39Å; D230-S233 WeakPolarHBondContact OD1-CB 3.44Å; D230-S233 PolarHBondContact OD1-N 2.77Å; D230-S233 PolarHBondContact OD1-OG 2.94Å; D230-V234 WeakPolarHBondContact O-CG2 3.35Å; D230-V234 PolarHBondContact O-N 3.03Å
231L77.8Confident72.1Confident37 Ų3766.7 Ų66.719%0.19438%0.376CS..Hα-helixtrans-56.9-35.5-179.4-172.455.4000112.5N235 K306 F309 Q310 R313L231-N235 WeakPolarHBondContact O-CB 3.44Å; L231-N235 PolarHBondContact O-N 3.18Å; L231-N235 PolarHBondContact O-ND2 3.45Å; L231-K306 HydrophobicContact CD1-CG 4.29Å; L231-F309 HydrophobicContact CB-CB 3.88Å; L231-F309 HydrophobicContact CD1-CB 3.95Å; L231-F309 HydrophobicContact CG-CB 4.44Å; L231-Q310 HydrophobicContact CD1-CB 4.36Å; L231-R313 HydrophobicContact CD2-CB 4.44Å
232T76.2Confident72.6Confident89 Ų8967.1 Ų67.155%0.54638%0.378SS..Hα-helixtrans-67.4-51.6179.6-40.60000111.3D230 V234 N235 I236D230-T232 PolarHBondContact O-N 2.95Å; D230-T232 VanDerWaalsContact OD2-CB 3.25Å; D230-T232 WeakPolarHBondContact OD2-CB 3.02Å; D230-T232 PolarHBondContact OD2-OG1 3.28Å; D230-T232 VanDerWaalsContact OD2-OG1 3.1Å; T232-V234 VanDerWaalsContact C-N 3.35Å; T232-V234 PolarHBondContact O-N 3.22Å; T232-N235 PolarHBondContact O-N 2.96Å; T232-I236 HydrophobicContact CG2-CD1 4.13Å; T232-I236 VanDerWaalsContact O-CG1 3.31Å; T232-I236 WeakPolarHBondContact O-CG1 3.5Å; T232-I236 PolarHBondContact O-N 2.69Å
233S78.6Confident73.1Confident33 Ų3368.5 Ų68.523%0.23139%0.389CS..Hα-helixtrans-65.1-36.6176.858.40000112.2A228 N229 D230 I236 L237A228-S233 WeakPolarHBondContact CB-OG 3.04Å; N229-S233 PolarHBondContact N-OG 3.41Å; N229-S233 VanDerWaalsContact N-OG 3.14Å; D230-S233 PolarHBondContact N-OG 2.88Å; D230-S233 PolarHBondContact O-N 3.37Å; D230-S233 PolarHBondContact O-OG 3.01Å; D230-S233 VanDerWaalsContact O-OG 3.13Å; D230-S233 WeakPolarHBondContact OD1-CA 3.39Å; D230-S233 WeakPolarHBondContact OD1-CB 3.44Å; D230-S233 PolarHBondContact OD1-N 2.77Å; D230-S233 PolarHBondContact OD1-OG 2.94Å; S233-I236 PolarHBondContact O-N 3.3Å; S233-L237 WeakPolarHBondContact O-CB 3.4Å; S233-L237 WeakPolarHBondContact O-CG 3.41Å; S233-L237 PolarHBondContact O-N 3.42Å
234V81.4Confident73.8Confident0 Ų063 Ų630%036%0.355CS..Hα-helixtrans-63.3-45.8173.41760000111.2A228 D230 T232 I236 L237 M238 L302 K305 K306 F309A228-V234 HydrophobicContact CB-CB 4.25Å; A228-V234 HydrophobicContact CB-CG2 3.46Å; A228-V234 VanDerWaalsContact CB-CG2 3.46Å; D230-V234 WeakPolarHBondContact O-CG2 3.35Å; D230-V234 PolarHBondContact O-N 3.03Å; T232-V234 VanDerWaalsContact C-N 3.35Å; T232-V234 PolarHBondContact O-N 3.22Å; V234-I236 VanDerWaalsContact C-N 3.35Å; V234-I236 PolarHBondContact O-N 3.43Å; V234-L237 PolarHBondContact O-N 2.77Å; V234-M238 VanDerWaalsContact O-CB 3.31Å; V234-M238 WeakPolarHBondContact O-CB 3.4Å; V234-M238 PolarHBondContact O-N 3.27Å; V234-L302 WeakPolarHBondContact CG1-O 3.37Å; V234-K305 HydrophobicContact CG1-CB 4.42Å; V234-K305 HydrophobicContact CG2-CB 4.06Å; V234-K306 HydrophobicContact CG1-CB 3.66Å; V234-K306 HydrophobicContact CG1-CG 4.38Å; V234-F309 HydrophobicContact CG2-CD2 3.75Å; V234-F309 HydrophobicContact CG2-CE2 3.82Å
235N76.4Confident74.5Confident56 Ų5662.6 Ų62.630%0.29935%0.346SS..Hα-helixtrans-63.7-38.4177.3-81.8-46.6000112.3L231 T232 M238 Q239 K306L231-N235 WeakPolarHBondContact O-CB 3.44Å; L231-N235 PolarHBondContact O-N 3.18Å; L231-N235 PolarHBondContact O-ND2 3.45Å; T232-N235 PolarHBondContact O-N 2.96Å; N235-M238 PolarHBondContact O-N 3.04Å; N235-Q239 WeakPolarHBondContact O-CB 3.37Å; N235-Q239 PolarHBondContact O-N 3.01Å; N235-K306 WeakPolarHBondContact OD1-CD 3.28Å; N235-K306 WeakPolarHBondContact OD1-CE 3.42Å; N235-K306 PolarHBondContact OD1-NZ 2.94Å; N235-K306 VanDerWaalsContact OD1-NZ 3.11Å
236I79.9Confident75.5Confident82 Ų8263.3 Ų63.342%0.42134%0.338SS..Hα-helixtrans-64.9-43.8174.6-68.6165.1000111.3T232 S233 V234 M238 Q239 K240T232-I236 HydrophobicContact CG2-CD1 4.13Å; T232-I236 VanDerWaalsContact O-CG1 3.31Å; T232-I236 WeakPolarHBondContact O-CG1 3.5Å; T232-I236 PolarHBondContact O-N 2.69Å; S233-I236 PolarHBondContact O-N 3.3Å; V234-I236 VanDerWaalsContact C-N 3.35Å; V234-I236 PolarHBondContact O-N 3.43Å; I236-M238 VanDerWaalsContact C-N 3.35Å; I236-Q239 PolarHBondContact O-N 3.46Å; I236-K240 WeakPolarHBondContact O-CG 3.06Å; I236-K240 PolarHBondContact O-N 3.14Å
237L76.9Confident76.3Confident17 Ų1763.5 Ų63.59%0.08934%0.336CS..Hα-helixtrans-66.7-36.4175.4-70.3-171.3000112D226 A228 S233 V234 K240 Q241 L302D226-L237 HydrophobicContact CB-CD1 4.08Å; D226-L237 HydrophobicContact CB-CD2 4.14Å; A228-L237 HydrophobicContact CB-CD1 3.68Å; A228-L237 HydrophobicContact CB-CG 4.43Å; S233-L237 WeakPolarHBondContact O-CB 3.4Å; S233-L237 WeakPolarHBondContact O-CG 3.41Å; S233-L237 PolarHBondContact O-N 3.42Å; V234-L237 PolarHBondContact O-N 2.77Å; L237-K240 HydrophobicContact CD2-CD 4.25Å; L237-K240 PolarHBondContact O-N 2.96Å; L237-Q241 WeakPolarHBondContact O-CB 3.4Å; L237-Q241 PolarHBondContact O-N 3.14Å; L237-L302 HydrophobicContact CB-CD1 4.18Å; L237-L302 HydrophobicContact CB-CD2 3.89Å; L237-L302 HydrophobicContact CD1-CD2 4.03Å
238M77.6Confident77.1Confident27 Ų2759.1 Ų59.113%0.13331%0.308CS..Hα-helixtrans-62.9-43.1173.8-169.262.573.800111.4V234 N235 I236 K240 Q241 Q242 L302 E303V234-M238 VanDerWaalsContact O-CB 3.31Å; V234-M238 WeakPolarHBondContact O-CB 3.4Å; V234-M238 PolarHBondContact O-N 3.27Å; N235-M238 PolarHBondContact O-N 3.04Å; I236-M238 VanDerWaalsContact C-N 3.35Å; M238-K240 PolarHBondContact O-N 2.84Å; M238-Q241 WeakPolarHBondContact O-CB 3.48Å; M238-Q241 PolarHBondContact O-N 2.96Å; M238-Q242 PolarHBondContact O-N 3.07Å; M238-L302 VanDerWaalsContact CE-C 3.42Å; M238-L302 HydrophobicContact CE-CB 3.58Å; M238-L302 HydrophobicContact SD-CB 4.44Å; M238-E303 HydrophobicContact CE-CB 4.18Å; M238-E303 HydrophobicContact CE-CG 3.48Å; M238-E303 VanDerWaalsContact CE-CG 3.48Å; M238-E303 HydrophobicContact SD-CG 4.26Å
239Q78.6Confident77.4Confident139 Ų13961.1 Ų61.165%0.6533%0.325SS*.Hα-helixtrans-64.7-39.8176.8-16617615.700111.7N235 I236 Q242 V243N235-Q239 WeakPolarHBondContact O-CB 3.37Å; N235-Q239 PolarHBondContact O-N 3.01Å; I236-Q239 PolarHBondContact O-N 3.46Å; Q239-Q242 PolarHBondContact O-N 2.85Å; Q239-V243 WeakPolarHBondContact O-CG2 3.41Å; Q239-V243 PolarHBondContact O-N 3Å; Q239-V243 VanDerWaalsContact O-N 3.11Å
240K78.5Confident77.5Confident116 Ų11658.5 Ų58.550%0.50431%0.313SS..Hα-helixtrans-61.7-43.4170.9-70.8178.6-178-179.60112I236 L237 M238 Q242 V243 I244I236-K240 WeakPolarHBondContact O-CG 3.06Å; I236-K240 PolarHBondContact O-N 3.14Å; L237-K240 HydrophobicContact CD2-CD 4.25Å; L237-K240 PolarHBondContact O-N 2.96Å; M238-K240 PolarHBondContact O-N 2.84Å; K240-Q242 PolarHBondContact O-N 3.5Å; K240-V243 PolarHBondContact O-N 3.29Å; K240-I244 WeakPolarHBondContact O-CG1 3.44Å; K240-I244 PolarHBondContact O-N 3.41Å; K240-I244 VanDerWaalsContact O-N 3.07Å
241Q78.8Confident77.5Confident4 Ų456.4 Ų56.42%0.01930%0.301CS..Hα-helixtrans-62.2-41176.7-172.466.514.400111.7L237 M238 V243 I244 Q245 L295 Q299 L302L237-Q241 WeakPolarHBondContact O-CB 3.4Å; L237-Q241 PolarHBondContact O-N 3.14Å; M238-Q241 WeakPolarHBondContact O-CB 3.48Å; M238-Q241 PolarHBondContact O-N 2.96Å; Q241-V243 PolarHBondContact O-N 3.17Å; Q241-I244 WeakPolarHBondContact O-CB 3.34Å; Q241-I244 PolarHBondContact O-N 3.49Å; Q241-Q245 WeakPolarHBondContact O-CG 3.37Å; Q241-Q245 PolarHBondContact O-N 3.41Å; Q241-L295 PolarHBondContact NE2-O 3.34Å; Q241-Q299 HydrophobicContact CG-CB 4.32Å; Q241-L302 HydrophobicContact CB-CD1 4.3Å
242Q78.3Confident77.2Confident106 Ų10656.2 Ų56.250%0.49530%0.304SS..Hα-helixtrans-62.2-40.7176-173.164.928.900112.4M238 Q239 K240 Q245 T246M238-Q242 PolarHBondContact O-N 3.07Å; Q239-Q242 PolarHBondContact O-N 2.85Å; K240-Q242 PolarHBondContact O-N 3.5Å; Q242-Q245 PolarHBondContact O-N 3.44Å; Q242-T246 WeakPolarHBondContact O-CB 3.5Å; Q242-T246 PolarHBondContact O-N 3.27Å; Q242-T246 PolarHBondContact O-OG1 3.46Å
243V80.6Confident77.1Confident77 Ų7760.5 Ų60.547%0.46731%0.31SS..Hα-helixtrans-62.4-45.4174.6171.30000110.7Q239 K240 Q241 Q245 T246 Q247Q239-V243 WeakPolarHBondContact O-CG2 3.41Å; Q239-V243 PolarHBondContact O-N 3Å; Q239-V243 VanDerWaalsContact O-N 3.11Å; K240-V243 PolarHBondContact O-N 3.29Å; Q241-V243 PolarHBondContact O-N 3.17Å; V243-Q245 VanDerWaalsContact C-N 3.33Å; V243-Q245 PolarHBondContact O-N 3.4Å; V243-T246 PolarHBondContact O-N 3.39Å; V243-Q247 WeakPolarHBondContact O-CG 3.49Å; V243-Q247 PolarHBondContact O-N 3.36Å
244I78.7Confident76.7Confident14 Ų1461.6 Ų61.67%0.07231%0.312CS..Hα-helixtrans-59.1-43.8175.2-70.3165.6000110.9Y214 L218 K240 Q241 Q247 M248 L295Y214-I244 PolarHBondContact OH-O 3.12Å; L218-I244 HydrophobicContact CD2-CG1 4.22Å; L218-I244 HydrophobicContact CD2-CG2 3.73Å; K240-I244 WeakPolarHBondContact O-CG1 3.44Å; K240-I244 PolarHBondContact O-N 3.41Å; K240-I244 VanDerWaalsContact O-N 3.07Å; Q241-I244 WeakPolarHBondContact O-CB 3.34Å; Q241-I244 PolarHBondContact O-N 3.49Å; I244-Q247 PolarHBondContact O-N 3.14Å; I244-M248 HydrophobicContact CG2-CG 4.44Å; I244-M248 WeakPolarHBondContact O-CB 3.31Å; I244-M248 WeakPolarHBondContact O-CG 3.49Å; I244-M248 PolarHBondContact O-N 2.97Å; I244-L295 HydrophobicContact CG2-CD1 3.91Å; I244-L295 HydrophobicContact CG2-CD2 3.97Å
245Q74.7Confident76.2Confident49 Ų4962.3 Ų62.323%0.22932%0.316CS..Hα-helixtrans-66-40.4178.3-73.6-177.4-1100113.4Q241 Q242 V243 Q247 M248 A249 Q299Q241-Q245 WeakPolarHBondContact O-CG 3.37Å; Q241-Q245 PolarHBondContact O-N 3.41Å; Q242-Q245 PolarHBondContact O-N 3.44Å; V243-Q245 VanDerWaalsContact C-N 3.33Å; V243-Q245 PolarHBondContact O-N 3.4Å; Q245-Q247 VanDerWaalsContact C-N 3.33Å; Q245-Q247 PolarHBondContact O-N 3.4Å; Q245-M248 PolarHBondContact O-N 3.46Å; Q245-A249 WeakPolarHBondContact O-CB 3.48Å; Q245-A249 PolarHBondContact O-N 2.84Å; Q245-Q299 VanDerWaalsContact NE2-CD 3.25Å
246T77.7Confident76Confident78 Ų7865.1 Ų65.148%0.47933%0.327SS..Hα-helixtrans-64.2-41.7177-58.60000110.6Q242 V243 A249 V250Q242-T246 WeakPolarHBondContact O-CB 3.5Å; Q242-T246 PolarHBondContact O-N 3.27Å; Q242-T246 PolarHBondContact O-OG1 3.46Å; V243-T246 PolarHBondContact O-N 3.39Å; T246-A249 PolarHBondContact O-N 2.94Å; T246-V250 WeakPolarHBondContact O-CG2 3.43Å; T246-V250 PolarHBondContact O-N 3.28Å; T246-V250 VanDerWaalsContact O-N 3.16Å
247Q75.4Confident75.4Confident94 Ų9465 Ų6544%0.43933%0.325SS..Hα-helixtrans-67.8-41.2175-70.5177.6-8.200112.4Y214 V243 I244 Q245 A249 V250 K251Y214-Q247 HydrophobicContact CE2-CB 4.05Å; Y214-Q247 WeakPolarHBondContact OH-CB 3.32Å; V243-Q247 WeakPolarHBondContact O-CG 3.49Å; V243-Q247 PolarHBondContact O-N 3.36Å; I244-Q247 PolarHBondContact O-N 3.14Å; Q245-Q247 VanDerWaalsContact C-N 3.33Å; Q245-Q247 PolarHBondContact O-N 3.4Å; Q247-A249 VanDerWaalsContact C-N 3.32Å; Q247-A249 PolarHBondContact O-N 2.8Å; Q247-V250 PolarHBondContact O-N 3.18Å; Q247-K251 PolarHBondContact O-N 3.29Å
248M75.6Confident75Confident20 Ų2064.6 Ų64.610%0.09932%0.323CS..Hα-helixtrans-58.5-41.4172.4-80.4-67.6-70.200112.2Y214 L218 I244 Q245 V250 K251 A252 F288 K292 L295Y214-M248 HydrophobicContact CE1-CG 4.43Å; Y214-M248 HydrophobicContact CE1-SD 3.86Å; Y214-M248 PolarHBondContact OH-N 3.34Å; L218-M248 HydrophobicContact CD1-CG 4.17Å; L218-M248 HydrophobicContact CD1-SD 3.54Å; L218-M248 VanDerWaalsContact CD1-SD 3.54Å; I244-M248 HydrophobicContact CG2-CG 4.44Å; I244-M248 WeakPolarHBondContact O-CB 3.31Å; I244-M248 WeakPolarHBondContact O-CG 3.49Å; I244-M248 PolarHBondContact O-N 2.97Å; Q245-M248 PolarHBondContact O-N 3.46Å; M248-V250 VanDerWaalsContact C-N 3.33Å; M248-V250 PolarHBondContact O-N 3.23Å; M248-K251 PolarHBondContact O-N 3.26Å; M248-A252 WeakPolarHBondContact O-CB 3.39Å; M248-A252 PolarHBondContact O-N 2.72Å; M248-F288 HydrophobicContact CE-CD2 4.24Å; M248-F288 HydrophobicContact CE-CE1 4.33Å; M248-F288 HydrophobicContact CE-CE2 3.61Å; M248-F288 HydrophobicContact CE-CZ 3.67Å; M248-F288 HydrophobicContact SD-CD2 4.42Å; M248-F288 HydrophobicContact SD-CE2 3.63Å; M248-F288 HydrophobicContact SD-CZ 4.09Å; M248-K292 HydrophobicContact CE-CG 3.91Å; M248-L295 HydrophobicContact CG-CD1 4.15Å
249A73.3Confident74.5Confident48 Ų4866.7 Ų66.740%0.39734%0.335SS..Hα-helixtrans-65.5-34.2176.900000112.7Q245 T246 Q247 R253Q245-A249 WeakPolarHBondContact O-CB 3.48Å; Q245-A249 PolarHBondContact O-N 2.84Å; T246-A249 PolarHBondContact O-N 2.94Å; Q247-A249 VanDerWaalsContact C-N 3.32Å; Q247-A249 PolarHBondContact O-N 2.8Å; A249-R253 PolarHBondContact O-N 3.49Å
250V77.4Confident74.1Confident74 Ų7465.1 Ų65.145%0.44833%0.326SS..Hα-helixtrans-68.7-47.8172.81730000110.9T246 Q247 M248 A252 R253 Q254T246-V250 WeakPolarHBondContact O-CG2 3.43Å; T246-V250 PolarHBondContact O-N 3.28Å; T246-V250 VanDerWaalsContact O-N 3.16Å; Q247-V250 PolarHBondContact O-N 3.18Å; M248-V250 VanDerWaalsContact C-N 3.33Å; M248-V250 PolarHBondContact O-N 3.23Å; V250-A252 VanDerWaalsContact C-N 3.29Å; V250-A252 PolarHBondContact O-N 3.44Å; V250-R253 PolarHBondContact O-N 3.49Å; V250-Q254 PolarHBondContact O-N 3.45Å
251K74.8Confident73.5Confident25 Ų2560.8 Ų60.811%0.10931%0.307CS..Hα-helixtrans-62.6-34.6177.1-65.8-44-159.8-172.40112.6D210 I211 Y214 Q247 M248 R253 Q254 V255 F288D210-K251 IonicContact OD1-NZ 2.62Å; D210-K251 PolarHBondContact OD1-NZ 3.33Å; D210-K251 IonicContact OD2-NZ 3.39Å; D210-K251 PolarHBondContact OD2-NZ 3.41Å; I211-K251 HydrophobicContact CG1-CD 4.27Å; Y214-K251 HydrophobicContact CD1-CB 4.5Å; Y214-K251 HydrophobicContact CD1-CD 4.39Å; Y214-K251 HydrophobicContact CD1-CG 3.53Å; Y214-K251 HydrophobicContact CE1-CB 4.46Å; Y214-K251 HydrophobicContact CE1-CG 3.65Å; Y214-K251 HydrophobicContact CG-CG 4.19Å; Q247-K251 PolarHBondContact O-N 3.29Å; M248-K251 PolarHBondContact O-N 3.26Å; K251-R253 PolarHBondContact O-N 3.27Å; K251-Q254 WeakPolarHBondContact O-CB 3.25Å; K251-Q254 PolarHBondContact O-N 3.16Å; K251-V255 PolarHBondContact O-N 2.93Å; K251-F288 HydrophobicContact CB-CE2 3.71Å; K251-F288 HydrophobicContact CB-CZ 4.01Å
252A71.8Confident72.7Confident32 Ų3260.7 Ų60.726%0.26431%0.307SS..Hα-helixtrans-62.1-39.2175.900000112.8M248 V250 V255 E256 F288M248-A252 WeakPolarHBondContact O-CB 3.39Å; M248-A252 PolarHBondContact O-N 2.72Å; V250-A252 VanDerWaalsContact C-N 3.29Å; V250-A252 PolarHBondContact O-N 3.44Å; A252-V255 WeakPolarHBondContact O-CB 3.43Å; A252-V255 PolarHBondContact O-N 2.96Å; A252-E256 PolarHBondContact O-N 3.24Å; A252-E256 VanDerWaalsContact O-N 3.07Å; A252-F288 HydrophobicContact CB-CE1 3.93Å; A252-F288 HydrophobicContact CB-CZ 3.97Å
253R73.6Confident72.2Confident179 Ų17960.5 Ų60.568%0.67531%0.306SS*.Hα-helixtrans-68.1-37.9173.2-62.5-178.9-151.51694.9112A249 V250 K251 V255 E256 E257A249-R253 PolarHBondContact O-N 3.49Å; V250-R253 PolarHBondContact O-N 3.49Å; K251-R253 PolarHBondContact O-N 3.27Å; R253-V255 VanDerWaalsContact C-N 3.29Å; R253-V255 PolarHBondContact O-N 2.99Å; R253-E256 PolarHBondContact O-N 2.77Å; R253-E257 WeakPolarHBondContact O-CB 3.32Å; R253-E257 PolarHBondContact O-N 3Å
254Q71.6Confident71.4Confident57 Ų5762 Ų6227%0.26630%0.304SS..Hα-helixtrans-64.7-34.5174.8-68.2179-42.800111.8T207 I211 V250 K251 E257 I258T207-Q254 HydrophobicContact CG2-CB 3.94Å; T207-Q254 HydrophobicContact CG2-CG 4.38Å; I211-Q254 HydrophobicContact CD1-CB 4.19Å; V250-Q254 PolarHBondContact O-N 3.45Å; K251-Q254 WeakPolarHBondContact O-CB 3.25Å; K251-Q254 PolarHBondContact O-N 3.16Å; Q254-E257 PolarHBondContact O-N 3.35Å; Q254-I258 WeakPolarHBondContact O-CB 3.41Å; Q254-I258 WeakPolarHBondContact O-CD1 3.43Å; Q254-I258 VanDerWaalsContact O-CG1 3.28Å; Q254-I258 WeakPolarHBondContact O-CG1 3.35Å; Q254-I258 PolarHBondContact O-N 2.96Å
255V70.5Confident70.6Confident14 Ų1461.9 Ų61.99%0.08530%0.303CS..Hα-helixtrans-61.5-53.2170.7153.50000111.8I211 K251 A252 R253 E257 I258 D259 L285 F288I211-V255 HydrophobicContact CD1-CG2 3.94Å; K251-V255 PolarHBondContact O-N 2.93Å; A252-V255 WeakPolarHBondContact O-CB 3.43Å; A252-V255 PolarHBondContact O-N 2.96Å; R253-V255 VanDerWaalsContact C-N 3.29Å; R253-V255 PolarHBondContact O-N 2.99Å; V255-E257 PolarHBondContact O-N 3.45Å; V255-I258 PolarHBondContact O-N 2.67Å; V255-D259 PolarHBondContact O-N 2.83Å; V255-L285 HydrophobicContact CB-CD2 4.17Å; V255-L285 HydrophobicContact CG1-CD2 3.37Å; V255-L285 HydrophobicContact CG2-CD2 3.96Å; V255-F288 HydrophobicContact CG2-CD1 4.14Å; V255-F288 HydrophobicContact CG2-CE1 4.38Å; V255-F288 HydrophobicContact CG2-CG 4.33Å
256E70.9Confident70Confident115 Ų11564.6 Ų64.654%0.53732%0.316SS..Hα-helixtrans-60.6-34.2176.9-74.3-173.6-176.900112.8A252 R253 D259 K260A252-E256 PolarHBondContact O-N 3.24Å; A252-E256 VanDerWaalsContact O-N 3.07Å; R253-E256 PolarHBondContact O-N 2.77Å; E256-D259 WeakPolarHBondContact O-CB 3.34Å; E256-D259 PolarHBondContact O-N 3.2Å; E256-K260 WeakPolarHBondContact O-CG 3.33Å; E256-K260 PolarHBondContact O-N 3.4Å; E256-K260 IonicContact OE2-NZ 3.72Å
257E68.8Low69.5Low79 Ų7967.9 Ų67.937%0.36932%0.324SS..Hα-helixtrans-72.1-45178-163.356.8-149.500110.9R253 Q254 V255 D259 K260 Q261R253-E257 WeakPolarHBondContact O-CB 3.32Å; R253-E257 PolarHBondContact O-N 3Å; Q254-E257 PolarHBondContact O-N 3.35Å; V255-E257 PolarHBondContact O-N 3.45Å; E257-D259 PolarHBondContact O-N 3.34Å; E257-K260 PolarHBondContact O-N 2.91Å; E257-Q261 HydrophobicContact CG-CG 4.06Å; E257-Q261 WeakPolarHBondContact O-CB 3.37Å; E257-Q261 WeakPolarHBondContact O-CG 3.42Å; E257-Q261 PolarHBondContact O-N 3.39Å; E257-Q261 PolarHBondContact OE1-NE2 3.45Å
258I68.6Low68.7Low9 Ų967.1 Ų67.15%0.04633%0.326CS..Hα-helixtrans-52.8-40.8170.4-74.8161.9000111V204 T207 I211 Q254 V255 T262 K281V204-I258 HydrophobicContact CG1-CG2 4.31Å; T207-I258 HydrophobicContact CG2-CD1 3.66Å; T207-I258 HydrophobicContact CG2-CG1 4Å; I211-I258 HydrophobicContact CD1-CD1 3.4Å; Q254-I258 WeakPolarHBondContact O-CB 3.41Å; Q254-I258 WeakPolarHBondContact O-CD1 3.43Å; Q254-I258 VanDerWaalsContact O-CG1 3.28Å; Q254-I258 WeakPolarHBondContact O-CG1 3.35Å; Q254-I258 PolarHBondContact O-N 2.96Å; V255-I258 PolarHBondContact O-N 2.67Å; I258-T262 VanDerWaalsContact O-CB 3.27Å; I258-T262 WeakPolarHBondContact O-CB 3.2Å; I258-T262 PolarHBondContact O-N 3.42Å; I258-T262 PolarHBondContact O-OG1 3.41Å; I258-K281 HydrophobicContact CG2-CD 3.86Å; I258-K281 HydrophobicContact CG2-CG 3.83Å
259D67.1Low67.9Low71 Ų7168.1 Ų68.138%0.3833%0.333SS..Hα-helixtrans-56.1-58.2177.3-103.8-34.7000111.8V255 E256 E257 Q261 T262 E263 K281V255-D259 PolarHBondContact O-N 2.83Å; E256-D259 WeakPolarHBondContact O-CB 3.34Å; E256-D259 PolarHBondContact O-N 3.2Å; E257-D259 PolarHBondContact O-N 3.34Å; D259-Q261 PolarHBondContact O-N 3.36Å; D259-T262 PolarHBondContact O-N 2.93Å; D259-E263 PolarHBondContact O-N 3.29Å; D259-E263 VanDerWaalsContact O-N 3.1Å; D259-K281 WeakPolarHBondContact OD1-CE 3.49Å; D259-K281 IonicContact OD1-NZ 3.75Å; D259-K281 PolarHBondContact OD1-NZ 2.79Å
260K70.3Confident67.4Low107 Ų10770.5 Ų70.547%0.46535%0.345SS..Hα-helixtrans-61.7-40.7179.9-63.3164.7-165.41580112.6E256 E257 E263 Y264E256-K260 WeakPolarHBondContact O-CG 3.33Å; E256-K260 PolarHBondContact O-N 3.4Å; E256-K260 IonicContact OE2-NZ 3.72Å; E257-K260 PolarHBondContact O-N 2.91Å; K260-E263 PolarHBondContact O-N 3.22Å; K260-Y264 PolarHBondContact O-N 2.97Å
261Q65.4Low66.5Low25 Ų2574.9 Ų74.912%0.11736%0.36CS..Hα-helixtrans-71.6-36.1-177.4-63.7-58.7-39.300111.8V204 E257 D259 L265V204-Q261 HydrophobicContact CG2-CB 3.61Å; E257-Q261 HydrophobicContact CG-CG 4.06Å; E257-Q261 WeakPolarHBondContact O-CB 3.37Å; E257-Q261 WeakPolarHBondContact O-CG 3.42Å; E257-Q261 PolarHBondContact O-N 3.39Å; E257-Q261 PolarHBondContact OE1-NE2 3.45Å; D259-Q261 PolarHBondContact O-N 3.36Å; Q261-L265 WeakPolarHBondContact O-CG 3.4Å; Q261-L265 PolarHBondContact O-N 2.66Å
262T61.9Low65.7Low1 Ų182.4 Ų82.41%0.00640%0.396CS..Hα-helixtrans-67.8-40173.6-52.30000111.5I258 D259 Y264 L265 Q266 V278 K281I258-T262 VanDerWaalsContact O-CB 3.27Å; I258-T262 WeakPolarHBondContact O-CB 3.2Å; I258-T262 PolarHBondContact O-N 3.42Å; I258-T262 PolarHBondContact O-OG1 3.41Å; D259-T262 PolarHBondContact O-N 2.93Å; T262-Y264 PolarHBondContact O-N 2.92Å; T262-L265 PolarHBondContact O-N 3.27Å; T262-Q266 PolarHBondContact O-N 3.09Å; T262-V278 HydrophobicContact CG2-CG2 3.92Å; T262-K281 HydrophobicContact CG2-CD 4.07Å
263E67.9Low65.2Low102 Ų10287.5 Ų87.548%0.47741%0.412SS..Hα-helixtrans-64-29.1179.7-153.1-156.3151.400112.8D259 K260 K267D259-E263 PolarHBondContact O-N 3.29Å; D259-E263 VanDerWaalsContact O-N 3.1Å; K260-E263 PolarHBondContact O-N 3.22Å; E263-K267 WeakPolarHBondContact O-CD 3.29Å; E263-K267 WeakPolarHBondContact O-CG 3.46Å; E263-K267 IonicContact OE1-NZ 2.6Å; E263-K267 PolarHBondContact OE1-NZ 3.26Å
264Y63.8Low64.6Low109 Ų10979.6 Ų79.643%0.42738%0.383SS..Hα-helixtrans-78.2-40173-171-84.1000112.5R200 K260 T262 Q266 K267 T268R200-Y264 VanDerWaalsContact CZ-CG 3.46Å; R200-Y264 VanDerWaalsContact NH2-CD1 3.29Å; R200-Y264 VanDerWaalsContact NH2-CE1 3.26Å; K260-Y264 PolarHBondContact O-N 2.97Å; T262-Y264 PolarHBondContact O-N 2.92Å; Y264-Q266 VanDerWaalsContact C-N 3.32Å; Y264-Q266 PolarHBondContact O-N 2.91Å; Y264-K267 PolarHBondContact O-N 2.85Å; Y264-K267 VanDerWaalsContact O-N 3.08Å; Y264-T268 HydrophobicContact CD1-CG2 4.12Å; Y264-T268 HydrophobicContact CE1-CG2 3.68Å; Y264-T268 PolarHBondContact O-N 3.46Å; Y264-T268 PolarHBondContact O-OG1 2.73Å
265L62Low64.5Low11 Ų1183.3 Ų83.36%0.05840%0.4CS..Hα-helixtrans-61.2-41.5174.9-74.9167.5000111.4R200 E201 V204 Q261 T262 K267 T268 V269R200-L265 HydrophobicContact CB-CD2 4.12Å; R200-L265 HydrophobicContact CG-CD1 4.23Å; R200-L265 HydrophobicContact CG-CD2 3.56Å; R200-L265 HydrophobicContact CG-CG 3.73Å; E201-L265 HydrophobicContact CB-CD2 4.25Å; V204-L265 HydrophobicContact CB-CD1 4.25Å; V204-L265 HydrophobicContact CG2-CD1 3.78Å; Q261-L265 WeakPolarHBondContact O-CG 3.4Å; Q261-L265 PolarHBondContact O-N 2.66Å; T262-L265 PolarHBondContact O-N 3.27Å; L265-K267 PolarHBondContact O-N 3.3Å; L265-K267 VanDerWaalsContact O-N 3.12Å; L265-T268 PolarHBondContact O-N 2.67Å; L265-T268 PolarHBondContact O-OG1 3.28Å; L265-V269 HydrophobicContact CD2-CG2 4.18Å; L265-V269 PolarHBondContact O-N 3.08Å; L265-V269 VanDerWaalsContact O-N 3.07Å
266Q62.5Low64.4Low106 Ų10686.8 Ų86.850%0.49542%0.423SS..Hα-helixtrans-56.1-24.6172.3-82-179.2-47.500114.5T262 Y264 I274T262-Q266 PolarHBondContact O-N 3.09Å; Y264-Q266 VanDerWaalsContact C-N 3.32Å; Y264-Q266 PolarHBondContact O-N 2.91Å; Q266-I274 HydrophobicContact CG-CG2 3.75Å
267K65.4Low64.1Low147 Ų14782.3 Ų82.364%0.63940%0.402SS*.Hα-helixtrans-94-10179.6-68.9167.1-172.31590113.6E263 Y264 L265E263-K267 WeakPolarHBondContact O-CD 3.29Å; E263-K267 WeakPolarHBondContact O-CG 3.46Å; E263-K267 IonicContact OE1-NZ 2.6Å; E263-K267 PolarHBondContact OE1-NZ 3.26Å; Y264-K267 PolarHBondContact O-N 2.85Å; Y264-K267 VanDerWaalsContact O-N 3.08Å; L265-K267 PolarHBondContact O-N 3.3Å; L265-K267 VanDerWaalsContact O-N 3.12Å
268T60Low64.2Low79 Ų7980.4 Ų80.449%0.48540%0.396SS..Hα-helixtrans-129.4-13.5-166.450.20000115.6Y264 L265Y264-T268 HydrophobicContact CD1-CG2 4.12Å; Y264-T268 HydrophobicContact CE1-CG2 3.68Å; Y264-T268 PolarHBondContact O-N 3.46Å; Y264-T268 PolarHBondContact O-OG1 2.73Å; L265-T268 PolarHBondContact O-N 2.67Å; L265-T268 PolarHBondContact O-OG1 3.28Å
269V58.6Low64.5Low41 Ų4184.8 Ų84.825%0.24842%0.423CS..SBendtrans-124.7149.6-178.6-179.50000110L265 K273 I274L265-V269 HydrophobicContact CD2-CG2 4.18Å; L265-V269 PolarHBondContact O-N 3.08Å; L265-V269 VanDerWaalsContact O-N 3.07Å; V269-K273 HydrophobicContact CG1-CB 4.38Å; V269-I274 HydrophobicContact CB-CD1 3.94Å; V269-I274 HydrophobicContact CB-CG1 4.29Å; V269-I274 HydrophobicContact CG1-CD1 4.39Å; V269-I274 HydrophobicContact CG1-CG1 4.4Å; V269-I274 WeakPolarHBondContact O-CD1 3.41Å
270P61.8Low64.8Low98 Ų9885 Ų8564%0.63642%0.421SS*.  trans-63.4142.8178.1-2535.9000114.3E272 K273P270-E272 PolarHBondContact O-N 3.47Å; P270-K273 PolarHBondContact O-N 2.94Å; P270-K273 VanDerWaalsContact O-N 3.15Å
271E58.5Low65Low165 Ų16581 Ų8177%0.77140%0.404SS*.Hα-helixtrans-56-40.8-167.5-157.1160.6-154.600114.1K273 I274 E275E271-K273 PolarHBondContact O-N 3.09Å; E271-I274 PolarHBondContact O-N 3.35Å; E271-E275 PolarHBondContact O-N 3.5Å
272E59.3Low65.5Low184 Ų18483 Ų8386%0.8642%0.417SS*.Hα-helixtrans-55.3-22.1179-67.5-174.1154.400114.8P270P270-E272 PolarHBondContact O-N 3.47Å
273K60Low66.2Low138 Ų13885.6 Ų85.660%0.644%0.439SS*.Hα-helixtrans-96.5-17.9179.5-70.5-171174.7-1730114.4V269 P270 E271V269-K273 HydrophobicContact CG1-CB 4.38Å; P270-K273 PolarHBondContact O-N 2.94Å; P270-K273 VanDerWaalsContact O-N 3.15Å; E271-K273 PolarHBondContact O-N 3.09Å
274I62.4Low66.5Low14 Ų1481.1 Ų81.17%0.07242%0.419CS..Hα-helixtrans-92.9-34.3-172.2-68150.6000111.8Q266 V269 E271 P276 I277 V278Q266-I274 HydrophobicContact CG-CG2 3.75Å; V269-I274 HydrophobicContact CB-CD1 3.94Å; V269-I274 HydrophobicContact CB-CG1 4.29Å; V269-I274 HydrophobicContact CG1-CD1 4.39Å; V269-I274 HydrophobicContact CG1-CG1 4.4Å; V269-I274 WeakPolarHBondContact O-CD1 3.41Å; E271-I274 PolarHBondContact O-N 3.35Å; I274-P276 VanDerWaalsContact C-CD 3.43Å; I274-I277 WeakPolarHBondContact O-CB 3.46Å; I274-I277 PolarHBondContact O-N 3.07Å; I274-V278 HydrophobicContact CG2-CG2 3.64Å; I274-V278 PolarHBondContact O-N 2.93Å; I274-V278 VanDerWaalsContact O-N 3.11Å
275E68.7Low66.9Low134 Ų13477.9 Ų77.963%0.62641%0.408SS*.Hα-helixtrans-52.8-41-173.9-158.8167-159.100114.5E271 I277 V278 V279E271-E275 PolarHBondContact O-N 3.5Å; E275-I277 VanDerWaalsContact C-N 3.31Å; E275-I277 PolarHBondContact O-N 3.45Å; E275-V278 PolarHBondContact O-N 2.88Å; E275-V279 WeakPolarHBondContact O-CG2 3.48Å; E275-V279 PolarHBondContact O-N 3.33Å; E275-V279 VanDerWaalsContact O-N 3.11Å
276P67.5Low67.6Low88 Ų8882.8 Ų82.857%0.57143%0.431SS*.Hα-helixtrans-63.8-32.5175.4-21.133.7000114I274 K280I274-P276 VanDerWaalsContact C-CD 3.43Å; P276-K280 WeakPolarHBondContact O-CB 3.35Å; P276-K280 PolarHBondContact O-N 2.86Å
277I66Low68.3Low20 Ų2080.7 Ų80.710%0.10342%0.419CS..Hα-helixtrans-74.3-41.2-179.7-58.2175.5000109.6V204 I274 E275 K280 K281V204-I277 HydrophobicContact CG1-CG2 3.91Å; I274-I277 WeakPolarHBondContact O-CB 3.46Å; I274-I277 PolarHBondContact O-N 3.07Å; E275-I277 VanDerWaalsContact C-N 3.31Å; E275-I277 PolarHBondContact O-N 3.45Å; I277-K280 PolarHBondContact O-N 3.13Å; I277-K281 WeakPolarHBondContact O-CB 3.09Å; I277-K281 PolarHBondContact O-N 3.43Å
278V69.9Low68.9Low39 Ų3973.8 Ų73.824%0.23639%0.389CS..Hα-helixtrans-64.9-45.5178.5176.40000111.6T262 I274 E275 K280 K281 T282T262-V278 HydrophobicContact CG2-CG2 3.92Å; I274-V278 HydrophobicContact CG2-CG2 3.64Å; I274-V278 PolarHBondContact O-N 2.93Å; I274-V278 VanDerWaalsContact O-N 3.11Å; E275-V278 PolarHBondContact O-N 2.88Å; V278-K280 VanDerWaalsContact C-N 3.34Å; V278-K280 PolarHBondContact O-N 3.38Å; V278-K281 WeakPolarHBondContact O-CB 3.35Å; V278-K281 PolarHBondContact O-N 2.94Å; V278-T282 PolarHBondContact O-N 3.45Å; V278-T282 VanDerWaalsContact O-N 3.07Å; V278-T282 PolarHBondContact O-OG1 3.17Å; V278-T282 VanDerWaalsContact O-OG1 3.05Å
279V76.4Confident69.7Low102 Ų10275 Ų7562%0.61839%0.389SS*.Hα-helixtrans-60.7-44.1177.7173.10000111.3E275 T282 A283E275-V279 WeakPolarHBondContact O-CG2 3.48Å; E275-V279 PolarHBondContact O-N 3.33Å; E275-V279 VanDerWaalsContact O-N 3.11Å; V279-T282 PolarHBondContact O-N 3.28Å; V279-A283 PolarHBondContact O-N 3.37Å
280K71.9Confident70.7Confident75 Ų7580.1 Ų80.133%0.32641%0.408SS..Hα-helixtrans-64.8-43.9178.8-168.6175.1-176.4179.30111.9D209 P276 I277 V278 T282 A283 V284D209-K280 WeakPolarHBondContact OD1-CE 3.43Å; D209-K280 IonicContact OD1-NZ 3.66Å; D209-K280 PolarHBondContact OD1-NZ 3.08Å; D209-K280 IonicContact OD2-NZ 2.71Å; D209-K280 PolarHBondContact OD2-NZ 3.43Å; P276-K280 WeakPolarHBondContact O-CB 3.35Å; P276-K280 PolarHBondContact O-N 2.86Å; I277-K280 PolarHBondContact O-N 3.13Å; V278-K280 VanDerWaalsContact C-N 3.34Å; V278-K280 PolarHBondContact O-N 3.38Å; K280-T282 PolarHBondContact O-N 2.83Å; K280-A283 PolarHBondContact O-N 2.93Å; K280-V284 WeakPolarHBondContact O-CG2 3.48Å; K280-V284 PolarHBondContact O-N 2.9Å
281K75.5Confident71.3Confident24 Ų2475.9 Ų75.910%0.10438%0.38CS..Hα-helixtrans-53.4-53.5174169.2-169.6170.4-1680111.6I258 D259 T262 I277 V278 A283 V284 L285I258-K281 HydrophobicContact CG2-CD 3.86Å; I258-K281 HydrophobicContact CG2-CG 3.83Å; D259-K281 WeakPolarHBondContact OD1-CE 3.49Å; D259-K281 IonicContact OD1-NZ 3.75Å; D259-K281 PolarHBondContact OD1-NZ 2.79Å; T262-K281 HydrophobicContact CG2-CD 4.07Å; I277-K281 WeakPolarHBondContact O-CB 3.09Å; I277-K281 PolarHBondContact O-N 3.43Å; V278-K281 WeakPolarHBondContact O-CB 3.35Å; V278-K281 PolarHBondContact O-N 2.94Å; K281-A283 VanDerWaalsContact C-N 3.32Å; K281-A283 PolarHBondContact O-N 3.31Å; K281-V284 PolarHBondContact O-N 3.34Å; K281-V284 VanDerWaalsContact O-N 3.13Å; K281-L285 HydrophobicContact CG-CD1 3.96Å; K281-L285 HydrophobicContact CG-CG 4.38Å; K281-L285 WeakPolarHBondContact O-CG 3.45Å; K281-L285 PolarHBondContact O-N 3.23Å
282T75.2Confident72.2Confident66 Ų6671.5 Ų71.541%0.40536%0.358SS..Hα-helixtrans-60.3-40.6-174.5-53.10000112.4V278 V279 K280 V284 L285 E286V278-T282 PolarHBondContact O-N 3.45Å; V278-T282 VanDerWaalsContact O-N 3.07Å; V278-T282 PolarHBondContact O-OG1 3.17Å; V278-T282 VanDerWaalsContact O-OG1 3.05Å; V279-T282 PolarHBondContact O-N 3.28Å; K280-T282 PolarHBondContact O-N 2.83Å; T282-V284 VanDerWaalsContact C-N 3.34Å; T282-V284 PolarHBondContact O-N 2.77Å; T282-L285 PolarHBondContact O-N 3.37Å; T282-E286 PolarHBondContact O-N 3.01Å; T282-E286 VanDerWaalsContact O-N 3.13Å
283A76.6Confident73Confident56 Ų5665.6 Ų65.646%0.46334%0.341SS..Hα-helixtrans-62.8-37.9177.300000113.1V279 K280 K281 R287V279-A283 PolarHBondContact O-N 3.37Å; K280-A283 PolarHBondContact O-N 2.93Å; K281-A283 VanDerWaalsContact C-N 3.32Å; K281-A283 PolarHBondContact O-N 3.31Å; A283-R287 PolarHBondContact O-N 3.37Å
284V74.2Confident73.8Confident8 Ų861.6 Ų61.65%0.04833%0.329CS..Hα-helixtrans-70.6-40178.1176.80000111.3I211 D212 I215 K280 K281 T282 R287 F288I211-V284 HydrophobicContact CB-CG1 3.82Å; I211-V284 HydrophobicContact CG2-CG1 3.43Å; I211-V284 VanDerWaalsContact CG2-CG1 3.43Å; D212-V284 HydrophobicContact CB-CG1 4.48Å; D212-V284 HydrophobicContact CB-CG2 3.8Å; I215-V284 HydrophobicContact CD1-CG1 4.02Å; K280-V284 WeakPolarHBondContact O-CG2 3.48Å; K280-V284 PolarHBondContact O-N 2.9Å; K281-V284 PolarHBondContact O-N 3.34Å; K281-V284 VanDerWaalsContact O-N 3.13Å; T282-V284 VanDerWaalsContact C-N 3.34Å; T282-V284 PolarHBondContact O-N 2.77Å; V284-R287 PolarHBondContact O-N 2.97Å; V284-F288 PolarHBondContact O-N 3.46Å
285L72.4Confident74.4Confident40 Ų4061.3 Ų61.321%0.20933%0.327CS..Hα-helixtrans-60.6-45.6175.8-66.2176.1000112.3V255 K281 T282 R287 F288 E289V255-L285 HydrophobicContact CB-CD2 4.17Å; V255-L285 HydrophobicContact CG1-CD2 3.37Å; V255-L285 HydrophobicContact CG2-CD2 3.96Å; K281-L285 HydrophobicContact CG-CD1 3.96Å; K281-L285 HydrophobicContact CG-CG 4.38Å; K281-L285 WeakPolarHBondContact O-CG 3.45Å; K281-L285 PolarHBondContact O-N 3.23Å; T282-L285 PolarHBondContact O-N 3.37Å; L285-R287 VanDerWaalsContact C-N 3.31Å; L285-R287 PolarHBondContact O-N 2.96Å; L285-F288 PolarHBondContact O-N 3.37Å; L285-E289 PolarHBondContact O-N 2.98Å; L285-E289 VanDerWaalsContact O-N 3.17Å
286E77.8Confident74.9Confident114 Ų11459.4 Ų59.453%0.53332%0.321SS..Hα-helixtrans-63.5-33.6179-75.2-168.6-171.800113.6T282 K290T282-E286 PolarHBondContact O-N 3.01Å; T282-E286 VanDerWaalsContact O-N 3.13Å; E286-K290 WeakPolarHBondContact O-CD 3.44Å; E286-K290 WeakPolarHBondContact O-CG 3.42Å
287R76.4Confident75.3Confident62 Ų6262 Ų6223%0.23433%0.326CS..Hα-helixtrans-72.9-39.6173.9-68.8179.571.8-165.95.5111.5D212 I215 T216 E219 A283 V284 L285 E289 K290D212-R287 IonicContact OD1-CZ 2.8Å; D212-R287 IonicContact OD1-NH1 3.43Å; D212-R287 PolarHBondContact OD1-NH1 3.17Å; D212-R287 IonicContact OD2-NH1 3.74Å; D212-R287 PolarHBondContact OD2-NH1 2.92Å; I215-R287 HydrophobicContact CD1-CB 4.09Å; I215-R287 HydrophobicContact CG2-CB 3.68Å; T216-R287 PolarHBondContact OG1-NH1 2.91Å; T216-R287 PolarHBondContact OG1-NH2 3.32Å; E219-R287 IonicContact OE1-CZ 2.72Å; E219-R287 IonicContact OE1-NE 3.46Å; E219-R287 PolarHBondContact OE1-NE 3.29Å; E219-R287 IonicContact OE1-NH2 3.84Å; E219-R287 PolarHBondContact OE1-NH2 3Å; E219-R287 IonicContact OE2-CZ 2.93Å; E219-R287 IonicContact OE2-NH2 3.94Å; E219-R287 PolarHBondContact OE2-NH2 3.45Å; A283-R287 PolarHBondContact O-N 3.37Å; V284-R287 PolarHBondContact O-N 2.97Å; L285-R287 VanDerWaalsContact C-N 3.31Å; L285-R287 PolarHBondContact O-N 2.96Å; R287-E289 PolarHBondContact O-N 2.95Å; R287-K290 PolarHBondContact O-N 2.99Å
288F77.5Confident75.9Confident3 Ų363.7 Ų63.71%0.01333%0.331CS..Hα-helixtrans-60.2-42.2180-168.3-108.3000112.5I211 I215 M248 K251 A252 V255 V284 L285I211-F288 HydrophobicContact CG2-CD2 4.36Å; I215-F288 HydrophobicContact CD1-CB 3.85Å; I215-F288 HydrophobicContact CD1-CD2 4.11Å; I215-F288 HydrophobicContact CD1-CG 4.5Å; I215-F288 HydrophobicContact CG1-CD2 4.17Å; M248-F288 HydrophobicContact CE-CD2 4.24Å; M248-F288 HydrophobicContact CE-CE1 4.33Å; M248-F288 HydrophobicContact CE-CE2 3.61Å; M248-F288 HydrophobicContact CE-CZ 3.67Å; M248-F288 HydrophobicContact SD-CD2 4.42Å; M248-F288 HydrophobicContact SD-CE2 3.63Å; M248-F288 HydrophobicContact SD-CZ 4.09Å; K251-F288 HydrophobicContact CB-CE2 3.71Å; K251-F288 HydrophobicContact CB-CZ 4.01Å; A252-F288 HydrophobicContact CB-CE1 3.93Å; A252-F288 HydrophobicContact CB-CZ 3.97Å; V255-F288 HydrophobicContact CG2-CD1 4.14Å; V255-F288 HydrophobicContact CG2-CE1 4.38Å; V255-F288 HydrophobicContact CG2-CG 4.33Å; V284-F288 PolarHBondContact O-N 3.46Å; L285-F288 PolarHBondContact O-N 3.37Å
289E77.6Confident76.4Confident104 Ų10463.7 Ų63.749%0.48633%0.328SS..Hα-helixtrans-67.3-40.2177.5-70.4-55.2145.500113.2L285 R287 I291 K292L285-E289 PolarHBondContact O-N 2.98Å; L285-E289 VanDerWaalsContact O-N 3.17Å; R287-E289 PolarHBondContact O-N 2.95Å; E289-I291 PolarHBondContact O-N 3.25Å; E289-I291 VanDerWaalsContact O-N 3.15Å; E289-K292 PolarHBondContact O-N 3.36Å; E289-K292 WeakPolarHBondContact OE1-CE 3.4Å; E289-K292 IonicContact OE1-NZ 3.76Å; E289-K292 PolarHBondContact OE1-NZ 3.4Å; E289-K292 WeakPolarHBondContact OE2-CD 3.49Å; E289-K292 VanDerWaalsContact OE2-CE 3.29Å; E289-K292 WeakPolarHBondContact OE2-CE 3.44Å; E289-K292 IonicContact OE2-NZ 3.33Å; E289-K292 PolarHBondContact OE2-NZ 3Å
290K78.4Confident76.5Confident148 Ų14865.7 Ų65.764%0.64333%0.328SS*.Hα-helixtrans-61.3-25.4-178-75.8169.7-175.9159.50113.6E286 R287E286-K290 WeakPolarHBondContact O-CD 3.44Å; E286-K290 WeakPolarHBondContact O-CG 3.42Å; R287-K290 PolarHBondContact O-N 2.99Å
291I75.4Confident76.8Confident10 Ų1064.9 Ų64.95%0.05134%0.336CS..Hα-helixtrans-83.8-19-177.1-69.4172.8000113.3I215 L218 E219 I222 E289 P294 L295I215-I291 HydrophobicContact CB-CD1 4.21Å; I215-I291 HydrophobicContact CG1-CD1 4.38Å; I215-I291 HydrophobicContact CG2-CD1 3.61Å; L218-I291 HydrophobicContact CD1-CG2 4.22Å; E219-I291 HydrophobicContact CG-CD1 3.61Å; E219-I291 HydrophobicContact CG-CG1 4.18Å; I222-I291 HydrophobicContact CD1-CG2 3.75Å; E289-I291 PolarHBondContact O-N 3.25Å; E289-I291 VanDerWaalsContact O-N 3.15Å; I291-P294 WeakPolarHBondContact O-CD 3.29Å; I291-L295 HydrophobicContact CG2-CD1 3.78Å; I291-L295 HydrophobicContact CG2-CG 4.36Å
292K76.1Confident77Confident73 Ų7364.4 Ų64.432%0.31733%0.334SS..Hα-helixtrans-65.9-42.9-174.3-66.9-177.2-172166.40113.7M248 E289 L295 L296M248-K292 HydrophobicContact CE-CG 3.91Å; E289-K292 PolarHBondContact O-N 3.36Å; E289-K292 WeakPolarHBondContact OE1-CE 3.4Å; E289-K292 IonicContact OE1-NZ 3.76Å; E289-K292 PolarHBondContact OE1-NZ 3.4Å; E289-K292 WeakPolarHBondContact OE2-CD 3.49Å; E289-K292 VanDerWaalsContact OE2-CE 3.29Å; E289-K292 WeakPolarHBondContact OE2-CE 3.44Å; E289-K292 IonicContact OE2-NZ 3.33Å; E289-K292 PolarHBondContact OE2-NZ 3Å; K292-L295 PolarHBondContact O-N 2.62Å; K292-L296 PolarHBondContact O-N 3.44Å
293A77.3Confident77.2Confident60 Ų6064.8 Ų64.850%0.49633%0.331SS..Hα-helixtrans-66.8-47.8-174.600000113.6L295 L296 E297A293-L295 VanDerWaalsContact C-N 3.26Å; A293-L295 PolarHBondContact O-N 3.32Å; A293-L296 PolarHBondContact O-N 3Å; A293-L296 VanDerWaalsContact O-N 3.12Å; A293-E297 PolarHBondContact O-N 3.33Å; A293-E297 VanDerWaalsContact O-N 3.13Å
294P77.2Confident77.4Confident53 Ų5365.3 Ų65.334%0.34432%0.323SS..Hα-helixtrans-58.7-33.3176.1-26.735.5000114.2I222 I291 R298I222-P294 HydrophobicContact CG2-CB 4.16Å; I291-P294 WeakPolarHBondContact O-CD 3.29Å; P294-R298 WeakPolarHBondContact O-CB 3.28Å; P294-R298 PolarHBondContact O-N 3.03Å
295L74.8Confident77.8Confident9 Ų968.5 Ų68.55%0.04734%0.336CS..Hα-helixtrans-70.6-35.3177.2-71.2174.8000112.5I222 Q241 I244 M248 I291 K292 A293 Q299I222-L295 HydrophobicContact CD1-CD1 4.41Å; I222-L295 HydrophobicContact CD1-CD2 3.8Å; I222-L295 HydrophobicContact CD1-CG 3.88Å; I222-L295 HydrophobicContact CG1-CD2 3.88Å; I222-L295 HydrophobicContact CG1-CG 4.49Å; Q241-L295 PolarHBondContact NE2-O 3.34Å; I244-L295 HydrophobicContact CG2-CD1 3.91Å; I244-L295 HydrophobicContact CG2-CD2 3.97Å; M248-L295 HydrophobicContact CG-CD1 4.15Å; I291-L295 HydrophobicContact CG2-CD1 3.78Å; I291-L295 HydrophobicContact CG2-CG 4.36Å; K292-L295 PolarHBondContact O-N 2.62Å; A293-L295 VanDerWaalsContact C-N 3.26Å; A293-L295 PolarHBondContact O-N 3.32Å; L295-Q299 PolarHBondContact O-N 3.42Å
296L78Confident78.3Confident93 Ų9370.4 Ų70.449%0.48734%0.343SS..Hα-helixtrans-69.2-37.6174.7-78.9162.5000112.1K292 A293 K300K292-L296 PolarHBondContact O-N 3.44Å; A293-L296 PolarHBondContact O-N 3Å; A293-L296 VanDerWaalsContact O-N 3.12Å; L296-K300 WeakPolarHBondContact O-CG 3.29Å; L296-K300 PolarHBondContact O-N 3.32Å
297E77.4Confident78.6Confident144 Ų14469.1 Ų69.167%0.67334%0.337SS*.Hα-helixtrans-67-43.6173.8-68.5-175.3159.900111.6A293 Q299 K300 A301A293-E297 PolarHBondContact O-N 3.33Å; A293-E297 VanDerWaalsContact O-N 3.13Å; E297-Q299 VanDerWaalsContact C-N 3.33Å; E297-Q299 PolarHBondContact O-N 3.22Å; E297-K300 PolarHBondContact O-N 3.29Å; E297-A301 WeakPolarHBondContact O-CB 3.33Å; E297-A301 PolarHBondContact O-N 3.49Å
298R78.7Confident78.9Confident55 Ų5566.4 Ų66.421%0.20833%0.328CS..Hα-helixtrans-60.2-40175-171.7178.1-173.9164.75.2112.4Q221 P294 L302Q221-R298 PolarHBondContact O-NH1 2.66Å; P294-R298 WeakPolarHBondContact O-CB 3.28Å; P294-R298 PolarHBondContact O-N 3.03Å; R298-L302 HydrophobicContact CG-CD1 4.23Å; R298-L302 WeakPolarHBondContact O-CG 3.35Å; R298-L302 PolarHBondContact O-N 3.07Å; R298-L302 VanDerWaalsContact O-N 3.12Å
299Q78.9Confident79.2Confident38 Ų3869.4 Ų69.418%0.17834%0.341CS..Hα-helixtrans-59-57.5174.3176.9-172.91.400111Q241 Q245 L295 E297 A301 L302 E303Q241-Q299 HydrophobicContact CG-CB 4.32Å; Q245-Q299 VanDerWaalsContact NE2-CD 3.25Å; L295-Q299 PolarHBondContact O-N 3.42Å; E297-Q299 VanDerWaalsContact C-N 3.33Å; E297-Q299 PolarHBondContact O-N 3.22Å; Q299-A301 VanDerWaalsContact C-N 3.25Å; Q299-A301 PolarHBondContact O-N 3.28Å; Q299-L302 PolarHBondContact O-N 3.49Å; Q299-E303 HydrophobicContact CG-CG 4.24Å; Q299-E303 WeakPolarHBondContact CG-OE1 3.21Å; Q299-E303 PolarHBondContact NE2-OE1 3.46Å; Q299-E303 WeakPolarHBondContact O-CG 3.46Å; Q299-E303 PolarHBondContact O-N 3.38Å
300K79.7Confident79.7Confident144 Ų14467.7 Ų67.763%0.62633%0.333SS*.Hα-helixtrans-57.8-38-177-70.9178.2179.3-177.50112.6L296 E297 E303 K304L296-K300 WeakPolarHBondContact O-CG 3.29Å; L296-K300 PolarHBondContact O-N 3.32Å; E297-K300 PolarHBondContact O-N 3.29Å; K300-E303 PolarHBondContact O-N 3.32Å; K300-K304 PolarHBondContact O-N 3.31Å
301A76.9Confident80.2Confident59 Ų5960.9 Ų60.949%0.48830%0.304SS..Hα-helixtrans-66.3-38.4175.900000112.9E297 Q299 K305E297-A301 WeakPolarHBondContact O-CB 3.33Å; E297-A301 PolarHBondContact O-N 3.49Å; Q299-A301 VanDerWaalsContact C-N 3.25Å; Q299-A301 PolarHBondContact O-N 3.28Å; A301-K305 PolarHBondContact O-N 3.16Å
302L79.7Confident80.7Confident13 Ų1361.4 Ų61.47%0.06831%0.308CS..Hα-helixtrans-71.1-36.1174.3-72.5170.3000112.1V234 L237 M238 Q241 R298 Q299 K305 K306V234-L302 WeakPolarHBondContact CG1-O 3.37Å; L237-L302 HydrophobicContact CB-CD1 4.18Å; L237-L302 HydrophobicContact CB-CD2 3.89Å; L237-L302 HydrophobicContact CD1-CD2 4.03Å; M238-L302 VanDerWaalsContact CE-C 3.42Å; M238-L302 HydrophobicContact CE-CB 3.58Å; M238-L302 HydrophobicContact SD-CB 4.44Å; Q241-L302 HydrophobicContact CB-CD1 4.3Å; R298-L302 HydrophobicContact CG-CD1 4.23Å; R298-L302 WeakPolarHBondContact O-CG 3.35Å; R298-L302 PolarHBondContact O-N 3.07Å; R298-L302 VanDerWaalsContact O-N 3.12Å; Q299-L302 PolarHBondContact O-N 3.49Å; L302-K305 PolarHBondContact O-N 2.97Å; L302-K306 WeakPolarHBondContact O-CB 3.44Å; L302-K306 PolarHBondContact O-N 3.2Å
303E80.5Confident81.2Confident74 Ų7463.5 Ų63.535%0.34631%0.314SS..Hα-helixtrans-64.7-48.4177.6-73.2171.9165.800110.5M238 Q299 K300 K305 K306 E307M238-E303 HydrophobicContact CE-CB 4.18Å; M238-E303 HydrophobicContact CE-CG 3.48Å; M238-E303 VanDerWaalsContact CE-CG 3.48Å; M238-E303 HydrophobicContact SD-CG 4.26Å; Q299-E303 HydrophobicContact CG-CG 4.24Å; Q299-E303 WeakPolarHBondContact CG-OE1 3.21Å; Q299-E303 PolarHBondContact NE2-OE1 3.46Å; Q299-E303 WeakPolarHBondContact O-CG 3.46Å; Q299-E303 PolarHBondContact O-N 3.38Å; K300-E303 PolarHBondContact O-N 3.32Å; E303-K305 VanDerWaalsContact C-N 3.32Å; E303-K305 PolarHBondContact O-N 3.22Å; E303-K306 WeakPolarHBondContact O-CA 3.49Å; E303-K306 WeakPolarHBondContact O-CB 3.42Å; E303-K306 PolarHBondContact O-N 2.98Å; E303-E307 PolarHBondContact O-N 3.08Å
304K81.2Confident81.7Confident67 Ų6761.5 Ų61.529%0.29130%0.295SS..Hα-helixtrans-59.1-40.6176.2-164.7174.4-168.3177.90112.5K300 A308 E375K300-K304 PolarHBondContact O-N 3.31Å; K304-A308 WeakPolarHBondContact O-CB 3.47Å; K304-A308 PolarHBondContact O-N 3.41Å; K304-A308 VanDerWaalsContact O-N 3.14Å; K304-E375 PolarHBondContact NZ-O 3.1Å
305K81.7Confident82.3Confident75 Ų7559 Ų5933%0.32628%0.279SS..Hα-helixtrans-66.3-35.6173.2-78-169.2168.9-164.50113A228 V234 A301 L302 E303 A308 F309A228-K305 PolarHBondContact O-NZ 3.33Å; V234-K305 HydrophobicContact CG1-CB 4.42Å; V234-K305 HydrophobicContact CG2-CB 4.06Å; A301-K305 PolarHBondContact O-N 3.16Å; L302-K305 PolarHBondContact O-N 2.97Å; E303-K305 VanDerWaalsContact C-N 3.32Å; E303-K305 PolarHBondContact O-N 3.22Å; K305-A308 PolarHBondContact O-N 3.12Å; K305-F309 WeakPolarHBondContact O-CD2 3.41Å; K305-F309 PolarHBondContact O-N 3.14Å; K305-F309 VanDerWaalsContact O-N 3.09Å
306K83Confident82.9Confident80 Ų8064 Ų6435%0.34830%0.302SS..Hα-helixtrans-65.5-47.7177.5-175.1178.1168.8168.40110.8L231 V234 N235 L302 E303 A308 F309 Q310L231-K306 HydrophobicContact CD1-CG 4.29Å; V234-K306 HydrophobicContact CG1-CB 3.66Å; V234-K306 HydrophobicContact CG1-CG 4.38Å; N235-K306 WeakPolarHBondContact OD1-CD 3.28Å; N235-K306 WeakPolarHBondContact OD1-CE 3.42Å; N235-K306 PolarHBondContact OD1-NZ 2.94Å; N235-K306 VanDerWaalsContact OD1-NZ 3.11Å; L302-K306 WeakPolarHBondContact O-CB 3.44Å; L302-K306 PolarHBondContact O-N 3.2Å; E303-K306 WeakPolarHBondContact O-CA 3.49Å; E303-K306 WeakPolarHBondContact O-CB 3.42Å; E303-K306 PolarHBondContact O-N 2.98Å; K306-A308 VanDerWaalsContact C-N 3.32Å; K306-A308 PolarHBondContact O-N 3.47Å; K306-F309 PolarHBondContact O-N 3.28Å; K306-Q310 VanDerWaalsContact O-CB 3.28Å; K306-Q310 WeakPolarHBondContact O-CB 3.4Å; K306-Q310 PolarHBondContact O-N 3Å
307E83.4Confident83.5Confident87 Ų8762.4 Ų62.441%0.40729%0.294SS..Hα-helixtrans-58.6-43.8176.5-69.4-172.8-161.300111.3E303 Q310 F311 K371 L372E303-E307 PolarHBondContact O-N 3.08Å; E307-Q310 PolarHBondContact O-N 3.25Å; E307-F311 WeakPolarHBondContact O-CB 3.43Å; E307-F311 PolarHBondContact O-N 3.49Å; E307-K371 IonicContact OE1-NZ 2.66Å; E307-K371 IonicContact OE2-NZ 3.03Å; E307-K371 PolarHBondContact OE2-NZ 3.39Å; E307-L372 HydrophobicContact CB-CD2 3.91Å
308A83.5Confident84Confident6 Ų656.4 Ų56.45%0.0527%0.265CS..Hα-helixtrans-60.4-47.9177.200000114.3K304 K305 K306 C312 H377 F383K304-A308 WeakPolarHBondContact O-CB 3.47Å; K304-A308 PolarHBondContact O-N 3.41Å; K304-A308 VanDerWaalsContact O-N 3.14Å; K305-A308 PolarHBondContact O-N 3.12Å; K306-A308 VanDerWaalsContact C-N 3.32Å; K306-A308 PolarHBondContact O-N 3.47Å; A308-C312 PolarHBondContact O-N 3.29Å; A308-C312 VanDerWaalsContact O-N 3.14Å; A308-C312 PolarHBondContact O-SG 2.9Å; A308-H377 WeakPolarHBondContact CB-NE2 3.37Å; A308-F383 HydrophobicContact CB-CE2 4.5Å; A308-F383 HydrophobicContact CB-CZ 3.77Å
309F84.9Confident84.5Confident65 Ų6554.8 Ų54.829%0.28526%0.26SS..Hα-helixtrans-72.4-34.8178.1-74.4-63.4000112.7N229 L231 V234 K305 K306 C312 R313N229-F309 WeakPolarHBondContact O-CE1 3.3Å; N229-F309 WeakPolarHBondContact O-CZ 3.43Å; L231-F309 HydrophobicContact CB-CB 3.88Å; L231-F309 HydrophobicContact CD1-CB 3.95Å; L231-F309 HydrophobicContact CG-CB 4.44Å; V234-F309 HydrophobicContact CG2-CD2 3.75Å; V234-F309 HydrophobicContact CG2-CE2 3.82Å; K305-F309 WeakPolarHBondContact O-CD2 3.41Å; K305-F309 PolarHBondContact O-N 3.14Å; K305-F309 VanDerWaalsContact O-N 3.09Å; K306-F309 PolarHBondContact O-N 3.28Å; F309-C312 PolarHBondContact O-N 2.84Å; F309-R313 PolarHBondContact O-N 3.09Å
310Q86.7Confident85Confident69 Ų6957.8 Ų57.832%0.32228%0.277SS..Hα-helixtrans-63.6-45.1174.4-174.164.255.100110.7L231 K306 E307 C312 R313 D314L231-Q310 HydrophobicContact CD1-CB 4.36Å; K306-Q310 VanDerWaalsContact O-CB 3.28Å; K306-Q310 WeakPolarHBondContact O-CB 3.4Å; K306-Q310 PolarHBondContact O-N 3Å; E307-Q310 PolarHBondContact O-N 3.25Å; Q310-C312 PolarHBondContact O-N 3.47Å; Q310-R313 PolarHBondContact O-N 3.28Å; Q310-R313 VanDerWaalsContact O-N 3.16Å; Q310-D314 PolarHBondContact NE2-OD1 3.18Å; Q310-D314 WeakPolarHBondContact O-CB 3.36Å; Q310-D314 VanDerWaalsContact O-CG 3.29Å; Q310-D314 PolarHBondContact O-N 3.08Å
311F89.1Confident85.6Confident5 Ų552.6 Ų52.62%0.02225%0.253CS..Hα-helixtrans-58-45.7174.6165.9-101000112.1E307 R313 D314 V315 I365 G369 L372 F383 L386 I387E307-F311 WeakPolarHBondContact O-CB 3.43Å; E307-F311 PolarHBondContact O-N 3.49Å; F311-R313 VanDerWaalsContact C-N 3.28Å; F311-R313 PolarHBondContact O-N 2.87Å; F311-D314 PolarHBondContact O-N 3.01Å; F311-V315 HydrophobicContact CD2-CG2 4.06Å; F311-V315 HydrophobicContact CE1-CG2 4.23Å; F311-V315 HydrophobicContact CE2-CG2 3.47Å; F311-V315 VanDerWaalsContact CE2-CG2 3.47Å; F311-V315 HydrophobicContact CZ-CG2 3.56Å; F311-V315 WeakPolarHBondContact O-CG2 3.47Å; F311-V315 PolarHBondContact O-N 2.9Å; F311-I365 HydrophobicContact CD2-CG2 3.99Å; F311-I365 WeakPolarHBondContact CD2-O 3.49Å; F311-I365 HydrophobicContact CE2-CG2 3.87Å; F311-I365 VanDerWaalsContact CE2-O 3.32Å; F311-I365 WeakPolarHBondContact CE2-O 3.46Å; F311-G369 VanDerWaalsContact CE2-CA 3.41Å; F311-L372 HydrophobicContact CB-CD1 3.81Å; F311-L372 HydrophobicContact CD1-CD1 4.39Å; F311-L372 HydrophobicContact CG-CD1 4.14Å; F311-F383 HydrophobicContact CD1-CB 4.46Å; F311-F383 AromaticContact CD1-CD1 3.71Å; F311-F383 HydrophobicContact CD1-CD1 3.71Å; F311-F383 HydrophobicContact CD1-CE1 4.12Å; F311-F383 HydrophobicContact CD1-CG 4.07Å; F311-F383 HydrophobicContact CE1-CB 3.74Å; F311-F383 AromaticContact CE1-CD1 3.59Å; F311-F383 HydrophobicContact CE1-CD1 3.59Å; F311-F383 HydrophobicContact CE1-CE1 4.43Å; F311-F383 AromaticContact CE1-CG 3.79Å; F311-F383 HydrophobicContact CE1-CG 3.79Å; F311-F383 HydrophobicContact CZ-CB 4.36Å; F311-L386 HydrophobicContact CE1-CB 4.4Å; F311-L386 HydrophobicContact CE1-CD1 4.27Å; F311-L386 HydrophobicContact CZ-CB 4.4Å; F311-I387 HydrophobicContact CE2-CG1 4.27Å; F311-I387 HydrophobicContact CZ-CD1 4.4Å; F311-I387 HydrophobicContact CZ-CG1 3.84Å
312C85.9Confident86.3Confident20 Ų2049.8 Ų49.814%0.13523%0.23CC..Hα-helixtrans-59.5-41176.7-66.60000111.9A308 F309 Q310 E316A308-C312 PolarHBondContact O-N 3.29Å; A308-C312 VanDerWaalsContact O-N 3.14Å; A308-C312 PolarHBondContact O-SG 2.9Å; F309-C312 PolarHBondContact O-N 2.84Å; Q310-C312 PolarHBondContact O-N 3.47Å; C312-E316 PolarHBondContact O-N 3.26Å
313R87Confident86.7Confident117 Ų11752.8 Ų52.844%0.44225%0.246SC..Hα-helixtrans-69.8-46.1179.1-179.859.4-165-175.61.8112.4L231 F309 Q310 F311 V315 E316 D317L231-R313 HydrophobicContact CD2-CB 4.44Å; F309-R313 PolarHBondContact O-N 3.09Å; Q310-R313 PolarHBondContact O-N 3.28Å; Q310-R313 VanDerWaalsContact O-N 3.16Å; F311-R313 VanDerWaalsContact C-N 3.28Å; F311-R313 PolarHBondContact O-N 2.87Å; R313-V315 VanDerWaalsContact C-N 3.25Å; R313-V315 PolarHBondContact O-N 2.73Å; R313-E316 IonicContact NH1-OE2 3.66Å; R313-E316 PolarHBondContact O-N 3.08Å; R313-D317 WeakPolarHBondContact CG-OD2 3.37Å; R313-D317 IonicContact CZ-OD1 2.83Å; R313-D317 IonicContact CZ-OD2 2.72Å; R313-D317 VanDerWaalsContact NE-CG 3.32Å; R313-D317 IonicContact NE-OD1 3.77Å; R313-D317 PolarHBondContact NE-OD1 2.96Å; R313-D317 IonicContact NE-OD2 3.84Å; R313-D317 PolarHBondContact NE-OD2 3.34Å; R313-D317 IonicContact NH2-OD1 2.75Å; R313-D317 PolarHBondContact NH2-OD1 3.11Å; R313-D317 IonicContact NH2-OD2 2.7Å; R313-D317 PolarHBondContact O-N 3.22Å
314D88.6Confident87.2Confident18 Ų1855.2 Ų55.210%0.09626%0.257CS..Hα-helixtrans-56.3-41.4176.5-72.5-23.6000110.7Q310 F311 D317 E318 R361 I365Q310-D314 PolarHBondContact NE2-OD1 3.18Å; Q310-D314 WeakPolarHBondContact O-CB 3.36Å; Q310-D314 VanDerWaalsContact O-CG 3.29Å; Q310-D314 PolarHBondContact O-N 3.08Å; F311-D314 PolarHBondContact O-N 3.01Å; D314-D317 PolarHBondContact O-N 3.08Å; D314-E318 WeakPolarHBondContact O-CG 3.44Å; D314-E318 PolarHBondContact O-N 2.93Å; D314-E318 VanDerWaalsContact O-N 3.11Å; D314-R361 IonicContact OD1-NH2 3.84Å; D314-R361 PolarHBondContact OD1-NH2 2.87Å; D314-R361 IonicContact OD2-NH2 3.11Å; D314-I365 HydrophobicContact CB-CD1 3.85Å; D314-I365 HydrophobicContact CB-CG1 3.91Å; D314-I365 HydrophobicContact CB-CG2 4.22Å
315V89Confident87.7Confident1 Ų153.9 Ų53.91%0.00625%0.252CS..Hα-helixtrans-64.8-38.6175.2172.40000112.7F311 R313 K319 I365 L386 L390F311-V315 HydrophobicContact CD2-CG2 4.06Å; F311-V315 HydrophobicContact CE1-CG2 4.23Å; F311-V315 HydrophobicContact CE2-CG2 3.47Å; F311-V315 VanDerWaalsContact CE2-CG2 3.47Å; F311-V315 HydrophobicContact CZ-CG2 3.56Å; F311-V315 WeakPolarHBondContact O-CG2 3.47Å; F311-V315 PolarHBondContact O-N 2.9Å; R313-V315 VanDerWaalsContact C-N 3.25Å; R313-V315 PolarHBondContact O-N 2.73Å; V315-K319 HydrophobicContact CG1-CD 4.07Å; V315-K319 VanDerWaalsContact CG1-CE 3.45Å; V315-K319 WeakPolarHBondContact O-CB 3.47Å; V315-K319 VanDerWaalsContact O-CG 3.23Å; V315-K319 WeakPolarHBondContact O-CG 3.4Å; V315-K319 PolarHBondContact O-N 3.17Å; V315-K319 VanDerWaalsContact O-N 3.12Å; V315-I365 HydrophobicContact CG2-CG2 3.52Å; V315-L386 HydrophobicContact CG1-CB 4.21Å; V315-L386 HydrophobicContact CG1-CD2 4.11Å; V315-L390 HydrophobicContact CG1-CB 4.32Å; V315-L390 HydrophobicContact CG1-CD2 4.44Å; V315-L390 HydrophobicContact CG2-CD2 4.25Å
316E87.7Confident88Confident114 Ų11452.2 Ų52.253%0.53325%0.246SC..Hα-helixtrans-67-42.3176.2-75.2177.9176.500112.1C312 R313 K319 L320C312-E316 PolarHBondContact O-N 3.26Å; R313-E316 IonicContact NH1-OE2 3.66Å; R313-E316 PolarHBondContact O-N 3.08Å; E316-K319 PolarHBondContact O-N 3.2Å; E316-L320 PolarHBondContact O-N 3.43Å
317D89.4Confident88.3Confident60 Ų6052.5 Ų52.532%0.32126%0.256SS..Hα-helixtrans-64.7-44.5-180-75.2-39.8000111.7R313 D314 L320 W321R313-D317 WeakPolarHBondContact CG-OD2 3.37Å; R313-D317 IonicContact CZ-OD1 2.83Å; R313-D317 IonicContact CZ-OD2 2.72Å; R313-D317 VanDerWaalsContact NE-CG 3.32Å; R313-D317 IonicContact NE-OD1 3.77Å; R313-D317 PolarHBondContact NE-OD1 2.96Å; R313-D317 IonicContact NE-OD2 3.84Å; R313-D317 PolarHBondContact NE-OD2 3.34Å; R313-D317 IonicContact NH2-OD1 2.75Å; R313-D317 PolarHBondContact NH2-OD1 3.11Å; R313-D317 IonicContact NH2-OD2 2.7Å; R313-D317 PolarHBondContact O-N 3.22Å; D314-D317 PolarHBondContact O-N 3.08Å; D317-L320 PolarHBondContact O-N 2.98Å; D317-W321 PolarHBondContact O-N 3.49Å; D317-W321 VanDerWaalsContact O-N 3.08Å
318E89.4Confident88.5Confident17 Ų1752.2 Ų52.28%0.07926%0.26CS..Hα-helixtrans-69.5-32.5175.5-56.7-60.9153.200112.6D314 L320 W321 I322 H358 R361 I362 I365 L390D314-E318 WeakPolarHBondContact O-CG 3.44Å; D314-E318 PolarHBondContact O-N 2.93Å; D314-E318 VanDerWaalsContact O-N 3.11Å; E318-L320 VanDerWaalsContact C-N 3.35Å; E318-W321 PolarHBondContact O-N 3.1Å; E318-I322 WeakPolarHBondContact O-CG1 3.48Å; E318-I322 PolarHBondContact O-N 2.86Å; E318-H358 IonicContact OE2-ND1 3.68Å; E318-R361 WeakPolarHBondContact OE1-CG 3.48Å; E318-R361 IonicContact OE1-CZ 2.62Å; E318-R361 IonicContact OE1-NE 2.75Å; E318-R361 PolarHBondContact OE1-NE 3.01Å; E318-R361 IonicContact OE1-NH2 2.69Å; E318-I362 HydrophobicContact CB-CD1 3.72Å; E318-I362 HydrophobicContact CG-CD1 3.97Å; E318-I365 HydrophobicContact CG-CD1 3.32Å; E318-L390 HydrophobicContact CB-CD1 3.97Å
319K88.4Confident88.8Confident22 Ų2252 Ų5210%0.09626%0.258CS..Hα-helixtrans-63.5-41.6173.5-79.7176.4-173.8177.60111.8V315 E316 W321 I322 D323 D389 L390 K393V315-K319 HydrophobicContact CG1-CD 4.07Å; V315-K319 VanDerWaalsContact CG1-CE 3.45Å; V315-K319 WeakPolarHBondContact O-CB 3.47Å; V315-K319 VanDerWaalsContact O-CG 3.23Å; V315-K319 WeakPolarHBondContact O-CG 3.4Å; V315-K319 PolarHBondContact O-N 3.17Å; V315-K319 VanDerWaalsContact O-N 3.12Å; E316-K319 PolarHBondContact O-N 3.2Å; K319-W321 VanDerWaalsContact C-N 3.34Å; K319-I322 PolarHBondContact O-N 3.32Å; K319-D323 WeakPolarHBondContact O-CB 3.42Å; K319-D323 VanDerWaalsContact O-CG 3.26Å; K319-D323 PolarHBondContact O-N 3.48Å; K319-D389 WeakPolarHBondContact CE-OD2 3.46Å; K319-D389 IonicContact NZ-OD2 2.7Å; K319-D389 PolarHBondContact NZ-OD2 2.91Å; K319-L390 HydrophobicContact CG-CD1 3.9Å; K319-K393 HydrophobicContact CG-CD 4.34Å
320L89.6Confident89.1Confident101 Ų10153.6 Ų53.653%0.52927%0.27SS..Hα-helixtrans-64-41.4176.5-172.5133.3000111E316 D317 E318 D323 E324E316-L320 PolarHBondContact O-N 3.43Å; D317-L320 PolarHBondContact O-N 2.98Å; E318-L320 VanDerWaalsContact C-N 3.35Å; L320-D323 PolarHBondContact O-N 3.19Å; L320-E324 WeakPolarHBondContact O-CG 3.36Å; L320-E324 PolarHBondContact O-N 3.21Å
321W92.8Very high89.2Confident34 Ų3452 Ų5213%0.12927%0.266CS..Hα-helixtrans-60.8-44.2173.2-173.894.7000112.5D317 E318 K319 D323 E324 K325 E354 I355 H358 W394 L397D317-W321 PolarHBondContact O-N 3.49Å; D317-W321 VanDerWaalsContact O-N 3.08Å; E318-W321 PolarHBondContact O-N 3.1Å; K319-W321 VanDerWaalsContact C-N 3.34Å; W321-D323 PolarHBondContact O-N 3.1Å; W321-E324 PolarHBondContact O-N 3.21Å; W321-K325 HydrophobicContact CD2-CG 4.03Å; W321-K325 HydrophobicContact CE3-CG 4.06Å; W321-K325 HydrophobicContact CH2-CG 4.04Å; W321-K325 HydrophobicContact CZ2-CD 4.4Å; W321-K325 HydrophobicContact CZ2-CG 3.98Å; W321-K325 HydrophobicContact CZ3-CG 4.05Å; W321-K325 WeakPolarHBondContact O-CG 3.48Å; W321-K325 PolarHBondContact O-N 3.41Å; W321-K325 VanDerWaalsContact O-N 3.13Å; W321-E354 HydrophobicContact CZ2-CG 4.11Å; W321-I355 HydrophobicContact CH2-CB 4.5Å; W321-I355 HydrophobicContact CH2-CG1 3.54Å; W321-I355 HydrophobicContact CZ3-CG1 3.93Å; W321-H358 AromaticContact CD1-CE1 3.95Å; W321-H358 AromaticContact CE2-CD2 3.9Å; W321-H358 AromaticContact CE2-CE1 3.48Å; W321-H358 VanDerWaalsContact CE2-CE1 3.48Å; W321-H358 AromaticContact CE2-ND1 3.77Å; W321-H358 AromaticContact CE2-NE2 3.58Å; W321-H358 HydrophobicContact CH2-CB 3.97Å; W321-H358 AromaticContact CH2-CD2 3.86Å; W321-H358 AromaticContact CH2-CG 3.76Å; W321-H358 HydrophobicContact CZ2-CB 4.34Å; W321-H358 AromaticContact CZ2-CD2 3.37Å; W321-H358 WeakPolarHBondContact CZ2-CD2 3.5Å; W321-H358 AromaticContact CZ2-CE1 3.78Å; W321-H358 AromaticContact CZ2-CG 3.63Å; W321-H358 AromaticContact CZ2-ND1 3.88Å; W321-H358 AromaticContact CZ2-NE2 3.5Å; W321-H358 WeakPolarHBondContact CZ2-NE2 3.45Å; W321-H358 HydrophobicContact CZ3-CB 4.33Å; W321-H358 AromaticContact NE1-CE1 3.43Å; W321-H358 PolarHBondContact NE1-CE1 3.01Å; W321-H358 AromaticContact NE1-NE2 3.55Å; W321-W394 HydrophobicContact CE3-CZ3 4.41Å; W321-W394 HydrophobicContact CZ3-CH2 4.3Å; W321-W394 AromaticContact CZ3-CZ3 3.73Å; W321-W394 HydrophobicContact CZ3-CZ3 3.73Å; W321-L397 HydrophobicContact CZ3-CD2 3.87Å
322I91.1Very high89Confident0 Ų056.9 Ų56.90%030%0.299CS..Hα-helixtrans-60.6-46.1175.1-67.3161.8000110.6E318 K319 E324 K325 L326 I362 L390 K393 W394 L397E318-I322 WeakPolarHBondContact O-CG1 3.48Å; E318-I322 PolarHBondContact O-N 2.86Å; K319-I322 PolarHBondContact O-N 3.32Å; I322-E324 VanDerWaalsContact C-N 3.25Å; I322-E324 PolarHBondContact O-N 3.38Å; I322-K325 PolarHBondContact O-N 3.33Å; I322-K325 VanDerWaalsContact O-N 3.11Å; I322-L326 WeakPolarHBondContact O-CB 3.41Å; I322-L326 PolarHBondContact O-N 3.01Å; I322-I362 HydrophobicContact CD1-CD1 4.41Å; I322-L390 HydrophobicContact CD1-CD1 3.77Å; I322-K393 HydrophobicContact CD1-CB 4.12Å; I322-K393 HydrophobicContact CG2-CB 4.03Å; I322-W394 HydrophobicContact CD1-CB 4.46Å; I322-W394 HydrophobicContact CD1-CE3 3.95Å; I322-W394 HydrophobicContact CG1-CE3 4.02Å; I322-W394 HydrophobicContact CG1-CZ3 4.39Å; I322-L397 HydrophobicContact CB-CD2 4.48Å; I322-L397 HydrophobicContact CG1-CD2 4.25Å; I322-L397 HydrophobicContact CG2-CB 4.16Å; I322-L397 HydrophobicContact CG2-CD2 4.15Å
323D88.8Confident89Confident76 Ų7660.1 Ų60.141%0.40632%0.315SS..Hα-helixtrans-64.2-27.2179.9-70-24.8000112.7K319 L320 W321 P327 K393K319-D323 WeakPolarHBondContact O-CB 3.42Å; K319-D323 VanDerWaalsContact O-CG 3.26Å; K319-D323 PolarHBondContact O-N 3.48Å; L320-D323 PolarHBondContact O-N 3.19Å; W321-D323 PolarHBondContact O-N 3.1Å; D323-P327 WeakPolarHBondContact O-CD 3.43Å; D323-K393 IonicContact OD1-NZ 2.65Å; D323-K393 PolarHBondContact OD1-NZ 3.39Å; D323-K393 IonicContact OD2-NZ 2.74Å; D323-K393 PolarHBondContact OD2-NZ 3.44Å
324E90.4Very high88.9Confident125 Ų12558 Ų5858%0.58431%0.307SS*.Hα-helixtrans-74.6-35.1171.1-75.1-177.3178.600113.5L320 W321 I322L320-E324 WeakPolarHBondContact O-CG 3.36Å; L320-E324 PolarHBondContact O-N 3.21Å; W321-E324 PolarHBondContact O-N 3.21Å; I322-E324 VanDerWaalsContact C-N 3.25Å; I322-E324 PolarHBondContact O-N 3.38Å
325K90.5Very high88.7Confident40 Ų4057.8 Ų57.817%0.17431%0.31CS..Hα-helixtrans-85.7-29.9-177.5-60.8-61.6-178.41640113.4W321 I322 V328 A329 L351 E354 L397W321-K325 HydrophobicContact CD2-CG 4.03Å; W321-K325 HydrophobicContact CE3-CG 4.06Å; W321-K325 HydrophobicContact CH2-CG 4.04Å; W321-K325 HydrophobicContact CZ2-CD 4.4Å; W321-K325 HydrophobicContact CZ2-CG 3.98Å; W321-K325 HydrophobicContact CZ3-CG 4.05Å; W321-K325 WeakPolarHBondContact O-CG 3.48Å; W321-K325 PolarHBondContact O-N 3.41Å; W321-K325 VanDerWaalsContact O-N 3.13Å; I322-K325 PolarHBondContact O-N 3.33Å; I322-K325 VanDerWaalsContact O-N 3.11Å; K325-V328 WeakPolarHBondContact O-CB 3.47Å; K325-V328 PolarHBondContact O-N 3.26Å; K325-A329 PolarHBondContact O-N 2.96Å; K325-A329 VanDerWaalsContact O-N 3.1Å; K325-L351 HydrophobicContact CD-CD1 4.03Å; K325-E354 WeakPolarHBondContact CE-OE1 3.4Å; K325-E354 IonicContact NZ-OE1 2.75Å; K325-E354 PolarHBondContact NZ-OE1 3.42Å; K325-E354 IonicContact NZ-OE2 2.76Å; K325-E354 PolarHBondContact NZ-OE2 3.33Å; K325-L397 HydrophobicContact CB-CD1 4.04Å; K325-L397 HydrophobicContact CB-CD2 4.24Å
326L89.2Confident88.4Confident39 Ų3963.6 Ų63.620%0.20434%0.341CS..Hα-helixtrans-57.4-38-176.8-168.368.2000114.3I322 V328 A329 N330 L397 A400I322-L326 WeakPolarHBondContact O-CB 3.41Å; I322-L326 PolarHBondContact O-N 3.01Å; L326-V328 VanDerWaalsContact C-N 3.33Å; L326-V328 PolarHBondContact O-N 3.5Å; L326-A329 PolarHBondContact O-N 3.32Å; L326-N330 WeakPolarHBondContact O-CB 3.49Å; L326-N330 PolarHBondContact O-N 3.03Å; L326-N330 PolarHBondContact O-ND2 3.09Å; L326-N330 VanDerWaalsContact O-ND2 3.11Å; L326-L397 HydrophobicContact CB-CD1 4.31Å; L326-L397 HydrophobicContact CD1-CB 4.26Å; L326-L397 HydrophobicContact CD1-CD1 4.05Å; L326-A400 HydrophobicContact CD1-CB 4.27Å
327P89.9Confident88.4Confident86 Ų8660.1 Ų60.156%0.55833%0.329SS*.Hα-helixtrans-67.3-30.1174-22.134.6000113.7D323 S331D323-P327 WeakPolarHBondContact O-CD 3.43Å; P327-S331 PolarHBondContact O-N 3.47Å
328V87.7Confident88.4Confident82 Ų8258.6 Ų58.650%0.49732%0.321SS..Hα-helixtrans-73-40177.4-171.80000110.1K325 L326 L351K325-V328 WeakPolarHBondContact O-CB 3.47Å; K325-V328 PolarHBondContact O-N 3.26Å; L326-V328 VanDerWaalsContact C-N 3.33Å; L326-V328 PolarHBondContact O-N 3.5Å; V328-L351 HydrophobicContact CB-CD2 4.31Å; V328-L351 HydrophobicContact CG1-CD2 4.02Å
329A89.9Confident88.3Confident1 Ų165 Ų651%0.00835%0.349CS..Hα-helixtrans-65.9-37.317300000112.8K325 L326 S331 L397 A400 I401 R404K325-A329 PolarHBondContact O-N 2.96Å; K325-A329 VanDerWaalsContact O-N 3.1Å; L326-A329 PolarHBondContact O-N 3.32Å; A329-S331 PolarHBondContact O-N 3.17Å; A329-L397 HydrophobicContact CB-CD1 3.99Å; A329-A400 HydrophobicContact CB-CB 3.85Å; A329-I401 HydrophobicContact CB-CD1 4.34Å; A329-I401 HydrophobicContact CB-CG1 3.53Å; A329-R404 WeakPolarHBondContact O-CB 3.35Å; A329-R404 WeakPolarHBondContact O-CD 3.42Å
330N89.6Confident88.3Confident98 Ų9867 Ų6752%0.52436%0.36SS..THydrogen-bonded Turntrans-89.512.2179.6-75.8-55.5000114.9L326L326-N330 WeakPolarHBondContact O-CB 3.49Å; L326-N330 PolarHBondContact O-N 3.03Å; L326-N330 PolarHBondContact O-ND2 3.09Å; L326-N330 VanDerWaalsContact O-ND2 3.11Å
331S88.6Confident88.4Confident36 Ų3662.2 Ų62.225%0.25234%0.335SS..  trans-60.4135.2176.1175.20000111.1P327 A329 D333 R404P327-S331 PolarHBondContact O-N 3.47Å; A329-S331 PolarHBondContact O-N 3.17Å; S331-D333 VanDerWaalsContact C-N 3.32Å; S331-D333 PolarHBondContact OG-N 3.47Å; S331-R404 PolarHBondContact O-NH1 3.06Å
332P84.9Confident88.2Confident108 Ų10864.6 Ų64.670%0.70135%0.348SS*.  trans-84.4-1.4175.134.9-36.2000113.4Y334P332-Y334 WeakPolarHBondContact O-CD2 3.49Å; P332-Y334 WeakPolarHBondContact O-CE2 3.43Å; P332-Y334 PolarHBondContact O-N 3.24Å
333D85.8Confident88.2Confident87 Ų8767.2 Ų67.247%0.46536%0.363SS..  trans-78.7108.9177.4175.921.7000110.8S331 G335 R404S331-D333 VanDerWaalsContact C-N 3.32Å; S331-D333 PolarHBondContact OG-N 3.47Å; D333-G335 PolarHBondContact OD1-N 2.9Å; D333-R404 VanDerWaalsContact O-CZ 3.27Å; D333-R404 PolarHBondContact O-NH1 2.76Å; D333-R404 PolarHBondContact O-NH2 3.28Å
334Y85.9Confident88.3Confident72 Ų7264.6 Ų64.628%0.28235%0.349SS..  trans-108.19176.4-49.5-58.5000113.5P332 V341 R404 H407 L408 S411P332-Y334 WeakPolarHBondContact O-CD2 3.49Å; P332-Y334 WeakPolarHBondContact O-CE2 3.43Å; P332-Y334 PolarHBondContact O-N 3.24Å; Y334-V341 WeakPolarHBondContact O-CG2 3.23Å; Y334-R404 HydrophobicContact CE1-CG 4.29Å; Y334-H407 HydrophobicContact CD1-CB 3.85Å; Y334-H407 HydrophobicContact CD2-CB 4.23Å; Y334-H407 HydrophobicContact CE1-CB 3.58Å; Y334-H407 HydrophobicContact CE2-CB 3.98Å; Y334-H407 HydrophobicContact CG-CB 4.17Å; Y334-H407 AromaticContact CZ-CD2 3.83Å; Y334-H407 AromaticContact CZ-CG 3.98Å; Y334-H407 PolarHBondContact OH-CD2 3.41Å; Y334-L408 HydrophobicContact CD1-CD2 4.27Å; Y334-L408 HydrophobicContact CD1-CG 4.2Å; Y334-S411 PolarHBondContact O-OG 3.11Å
335G84.3Confident88.3Confident15 Ų1562 Ų6216%0.15534%0.336CS..  trans82.7148.7179.200000114.9D333 L344D333-G335 PolarHBondContact OD1-N 2.9Å; G335-L344 VanDerWaalsContact N-CD1 3.28Å
336N83.4Confident88.4Confident123 Ų12367.2 Ų67.266%0.65836%0.359SS*.SBendtrans-116.69.6-176.568.3-21.6000114.2N340 Q415N336-N340 PolarHBondContact OD1-ND2 3.44Å; N336-Q415 PolarHBondContact O-OE1 3.03Å
337S87.5Confident88.4Confident40 Ų4071.8 Ų71.828%0.2838%0.377SS..SBendtrans-153.6151.1174.573.40000108.9F339 N340 V341S337-F339 PolarHBondContact O-N 3.26Å; S337-F339 VanDerWaalsContact O-N 3.17Å; S337-N340 WeakPolarHBondContact O-CA 3.3Å; S337-N340 WeakPolarHBondContact O-CB 3.39Å; S337-N340 PolarHBondContact O-N 2.77Å; S337-N340 WeakPolarHBondContact OG-CB 3.3Å; S337-N340 VanDerWaalsContact OG-CG 3.24Å; S337-N340 PolarHBondContact OG-N 3.04Å; S337-N340 PolarHBondContact OG-ND2 3.16Å; S337-V341 WeakPolarHBondContact O-CG2 3.33Å; S337-V341 PolarHBondContact O-N 3.31Å
338L88.2Confident88.5Confident29 Ų2968.1 Ų68.115%0.15235%0.352CS..Hα-helixtrans-51.2-43-177.8-175.463.3000112.6V341 H342 E412 Q415 Q416 F419L338-V341 PolarHBondContact O-N 2.88Å; L338-H342 PolarHBondContact O-CD2 3.12Å; L338-H342 VanDerWaalsContact O-CD2 3.27Å; L338-H342 PolarHBondContact O-N 3.03Å; L338-E412 HydrophobicContact CD1-CG 4.48Å; L338-Q415 HydrophobicContact CB-CB 4.3Å; L338-Q415 HydrophobicContact CD1-CB 4.46Å; L338-Q416 HydrophobicContact CD1-CB 4.33Å; L338-F419 HydrophobicContact CD2-CB 4.46Å; L338-F419 HydrophobicContact CD2-CG 4.42Å
339F87.8Confident88.7Confident152 Ų15270.5 Ų70.567%0.66736%0.358SS*.Hα-helixtrans-59.7-47.7173.7-179.9-97.5000112.7S337 V341 H342 V343S337-F339 PolarHBondContact O-N 3.26Å; S337-F339 VanDerWaalsContact O-N 3.17Å; F339-V341 VanDerWaalsContact C-N 3.34Å; F339-V341 PolarHBondContact O-N 2.62Å; F339-H342 PolarHBondContact O-N 3.05Å; F339-V343 HydrophobicContact CD1-CG2 4.3Å; F339-V343 HydrophobicContact CE1-CG2 3.91Å; F339-V343 HydrophobicContact CE2-CG2 4.41Å; F339-V343 HydrophobicContact CZ-CG2 3.97Å; F339-V343 WeakPolarHBondContact O-CG2 3.16Å; F339-V343 PolarHBondContact O-N 3.05Å
340N88.1Confident88.7Confident64 Ų6473.7 Ų73.734%0.34238%0.381SS..Hα-helixtrans-63.7-39.4179-72.1-14.8000111.5N336 S337 V343 L344N336-N340 PolarHBondContact OD1-ND2 3.44Å; S337-N340 WeakPolarHBondContact O-CA 3.3Å; S337-N340 WeakPolarHBondContact O-CB 3.39Å; S337-N340 PolarHBondContact O-N 2.77Å; S337-N340 WeakPolarHBondContact OG-CB 3.3Å; S337-N340 VanDerWaalsContact OG-CG 3.24Å; S337-N340 PolarHBondContact OG-N 3.04Å; S337-N340 PolarHBondContact OG-ND2 3.16Å; N340-V343 PolarHBondContact O-N 3.43Å; N340-L344 WeakPolarHBondContact O-CG 3.39Å; N340-L344 PolarHBondContact O-N 3.5Å
341V91.5Very high88.7Confident0 Ų069.8 Ų69.80%036%0.36CS..Hα-helixtrans-63.1-47.4175-1710000111.1Y334 S337 L338 F339 V343 L344 K345 L408 S411 E412 Q415Y334-V341 WeakPolarHBondContact O-CG2 3.23Å; S337-V341 WeakPolarHBondContact O-CG2 3.33Å; S337-V341 PolarHBondContact O-N 3.31Å; L338-V341 PolarHBondContact O-N 2.88Å; F339-V341 VanDerWaalsContact C-N 3.34Å; F339-V341 PolarHBondContact O-N 2.62Å; V341-V343 VanDerWaalsContact C-N 3.32Å; V341-V343 PolarHBondContact O-N 2.6Å; V341-L344 PolarHBondContact O-N 3.42Å; V341-K345 VanDerWaalsContact O-CB 3.28Å; V341-K345 WeakPolarHBondContact O-CB 3.23Å; V341-K345 PolarHBondContact O-N 2.84Å; V341-L408 HydrophobicContact CG1-CD2 4.31Å; V341-L408 WeakPolarHBondContact CG1-O 3.37Å; V341-S411 WeakPolarHBondContact CG2-OG 3.43Å; V341-E412 HydrophobicContact CG1-CB 3.86Å; V341-Q415 HydrophobicContact CG2-CB 4.24Å; V341-Q415 HydrophobicContact CG2-CG 3.72Å
342H89.1Confident88.8Confident84 Ų8469.3 Ų69.339%0.38936%0.358SS..Hα-helixtrans-61.1-39177.9-68.4-41.6000112.6L338 F339 K345 K346 E412L338-H342 PolarHBondContact O-CD2 3.12Å; L338-H342 VanDerWaalsContact O-CD2 3.27Å; L338-H342 PolarHBondContact O-N 3.03Å; F339-H342 PolarHBondContact O-N 3.05Å; H342-K345 PolarHBondContact O-N 3.14Å; H342-K346 WeakPolarHBondContact O-CB 3.16Å; H342-K346 PolarHBondContact O-N 3.04Å; H342-E412 IonicContact CE1-OE1 3.98Å; H342-E412 PolarHBondContact CE1-OE1 3.26Å; H342-E412 IonicContact ND1-OE1 2.64Å; H342-E412 PolarHBondContact ND1-OE1 2.86Å
343V91Very high89.1Confident54 Ų5467.6 Ų67.633%0.32735%0.346SS..Hα-helixtrans-62.8-45174.1170.60000111.1F339 N340 V341 K346 K347F339-V343 HydrophobicContact CD1-CG2 4.3Å; F339-V343 HydrophobicContact CE1-CG2 3.91Å; F339-V343 HydrophobicContact CE2-CG2 4.41Å; F339-V343 HydrophobicContact CZ-CG2 3.97Å; F339-V343 WeakPolarHBondContact O-CG2 3.16Å; F339-V343 PolarHBondContact O-N 3.05Å; N340-V343 PolarHBondContact O-N 3.43Å; V341-V343 VanDerWaalsContact C-N 3.32Å; V341-V343 PolarHBondContact O-N 2.6Å; V343-K346 PolarHBondContact O-N 2.68Å; V343-K347 HydrophobicContact CG1-CD 4.37Å; V343-K347 WeakPolarHBondContact O-CG 3.42Å; V343-K347 PolarHBondContact O-N 3.44Å
344L90.8Very high89.2Confident22 Ų2266.8 Ų66.812%0.11534%0.339CS..Hα-helixtrans-67.4-38.3177.6-71.1171000112.4G335 N340 V341 K347 N348 L408G335-L344 VanDerWaalsContact N-CD1 3.28Å; N340-L344 WeakPolarHBondContact O-CG 3.39Å; N340-L344 PolarHBondContact O-N 3.5Å; V341-L344 PolarHBondContact O-N 3.42Å; L344-K347 PolarHBondContact O-N 3.32Å; L344-N348 WeakPolarHBondContact O-CB 3.49Å; L344-N348 PolarHBondContact O-N 3.43Å; L344-L408 HydrophobicContact CB-CD2 3.73Å; L344-L408 HydrophobicContact CD1-CD2 4.46Å
345K91.1Very high89.4Confident70 Ų7063.6 Ų63.630%0.30433%0.327SS..Hα-helixtrans-61.6-43.7173.9-175.6174.4170.2-176.20111.4V341 H342 N348 Q349 L409 E412V341-K345 VanDerWaalsContact O-CB 3.28Å; V341-K345 WeakPolarHBondContact O-CB 3.23Å; V341-K345 PolarHBondContact O-N 2.84Å; H342-K345 PolarHBondContact O-N 3.14Å; K345-N348 PolarHBondContact O-N 3.45Å; K345-Q349 WeakPolarHBondContact O-CB 3.43Å; K345-Q349 PolarHBondContact O-N 3.17Å; K345-L409 HydrophobicContact CD-CD2 4.42Å; K345-E412 WeakPolarHBondContact CD-OE1 3.42Å; K345-E412 IonicContact NZ-OE1 3.3Å; K345-E412 PolarHBondContact NZ-OE1 2.94Å; K345-E412 IonicContact NZ-OE2 2.75Å; K345-E412 PolarHBondContact NZ-OE2 3.24Å
346K91.4Very high89.7Confident149 Ų14967 Ų6765%0.64834%0.342SS*.Hα-helixtrans-63.6-42.6173.2-171.2173.9-178.7177.10112.1H342 V343 Q349 S350H342-K346 WeakPolarHBondContact O-CB 3.16Å; H342-K346 PolarHBondContact O-N 3.04Å; V343-K346 PolarHBondContact O-N 2.68Å; K346-Q349 PolarHBondContact O-N 3.47Å; K346-S350 PolarHBondContact O-N 3.42Å; K346-S350 PolarHBondContact O-OG 3.25Å
347K89.8Confident90Very high135 Ų13567.1 Ų67.159%0.58734%0.342SS*.Hα-helixtrans-61.7-42.4173.9-73.5174.6177.9179.80112.3V343 L344 Q349 S350 L351V343-K347 HydrophobicContact CG1-CD 4.37Å; V343-K347 WeakPolarHBondContact O-CG 3.42Å; V343-K347 PolarHBondContact O-N 3.44Å; L344-K347 PolarHBondContact O-N 3.32Å; K347-Q349 VanDerWaalsContact C-N 3.33Å; K347-Q349 PolarHBondContact O-N 3.01Å; K347-S350 PolarHBondContact O-N 3.27Å; K347-L351 PolarHBondContact O-N 3.23Å
348N92.1Very high90.1Very high9 Ų967.8 Ų67.85%0.04834%0.341CS..Hα-helixtrans-65.5-36.5176.9-159.272.4000111.7L344 K345 L351 A352 R404 L408L344-N348 WeakPolarHBondContact O-CB 3.49Å; L344-N348 PolarHBondContact O-N 3.43Å; K345-N348 PolarHBondContact O-N 3.45Å; N348-L351 PolarHBondContact O-N 3.01Å; N348-A352 WeakPolarHBondContact O-CB 3.31Å; N348-A352 PolarHBondContact O-N 2.95Å; N348-R404 WeakPolarHBondContact OD1-CD 3.42Å; N348-R404 WeakPolarHBondContact OD1-CG 3.44Å; N348-L408 HydrophobicContact CB-CD1 3.69Å
349Q91.7Very high90.2Very high132 Ų13269.2 Ų69.262%0.61735%0.347SS*.Hα-helixtrans-66.7-40.7173.4-170.9174.511.900112.1K345 K346 K347 A352 T353K345-Q349 WeakPolarHBondContact O-CB 3.43Å; K345-Q349 PolarHBondContact O-N 3.17Å; K346-Q349 PolarHBondContact O-N 3.47Å; K347-Q349 VanDerWaalsContact C-N 3.33Å; K347-Q349 PolarHBondContact O-N 3.01Å; Q349-A352 PolarHBondContact O-N 3.24Å; Q349-T353 PolarHBondContact O-N 3.23Å; Q349-T353 PolarHBondContact O-OG1 3.46Å
350S90.8Very high90.4Very high69 Ų6966 Ų6648%0.48334%0.341SS..Hα-helixtrans-62.3-41.7172.7-63.20000112.3K346 K347 T353 E354K346-S350 PolarHBondContact O-N 3.42Å; K346-S350 PolarHBondContact O-OG 3.25Å; K347-S350 PolarHBondContact O-N 3.27Å; S350-T353 WeakPolarHBondContact CA-OG1 3.35Å; S350-T353 PolarHBondContact O-N 3.38Å; S350-T353 PolarHBondContact O-OG1 3.38Å; S350-E354 PolarHBondContact O-N 3.06Å
351L89.5Confident90.4Very high15 Ų1568.1 Ų68.18%0.07935%0.345CS..Hα-helixtrans-64.9-40.9175.7-175.566.7000112K325 V328 K347 N348 E354 I355 I401K325-L351 HydrophobicContact CD-CD1 4.03Å; V328-L351 HydrophobicContact CB-CD2 4.31Å; V328-L351 HydrophobicContact CG1-CD2 4.02Å; K347-L351 PolarHBondContact O-N 3.23Å; N348-L351 PolarHBondContact O-N 3.01Å; L351-E354 WeakPolarHBondContact O-CB 3.42Å; L351-E354 PolarHBondContact O-N 3.01Å; L351-E354 VanDerWaalsContact O-N 3.17Å; L351-I355 HydrophobicContact CD1-CD1 4.46Å; L351-I355 HydrophobicContact CG-CD1 4.24Å; L351-I355 PolarHBondContact O-N 3.36Å; L351-I401 HydrophobicContact CB-CD1 4.35Å; L351-I401 HydrophobicContact CD2-CD1 3.6Å; L351-I401 HydrophobicContact CD2-CG1 4.23Å; L351-I401 HydrophobicContact CG-CD1 3.59Å
352A90.4Very high90.4Very high27 Ų2768.4 Ų68.422%0.22335%0.346CS..Hα-helixtrans-59.1-47.2173.400000111.5N348 Q349 E354 I355 D356 I401N348-A352 WeakPolarHBondContact O-CB 3.31Å; N348-A352 PolarHBondContact O-N 2.95Å; Q349-A352 PolarHBondContact O-N 3.24Å; A352-E354 VanDerWaalsContact C-N 3.28Å; A352-E354 PolarHBondContact O-N 3.15Å; A352-I355 PolarHBondContact O-N 3.12Å; A352-I355 VanDerWaalsContact O-N 3.14Å; A352-D356 PolarHBondContact O-N 3.43Å; A352-I401 HydrophobicContact CB-CG2 4.13Å
353T89.8Confident90.4Very high72 Ų7268 Ų6844%0.44235%0.347SS..Hα-helixtrans-64.7-29.1175.150.20000113.6Q349 S350 N357Q349-T353 PolarHBondContact O-N 3.23Å; Q349-T353 PolarHBondContact O-OG1 3.46Å; S350-T353 WeakPolarHBondContact CA-OG1 3.35Å; S350-T353 PolarHBondContact O-N 3.38Å; S350-T353 PolarHBondContact O-OG1 3.38Å; T353-N357 WeakPolarHBondContact O-CB 3.23Å; T353-N357 PolarHBondContact O-N 3.36Å; T353-N357 VanDerWaalsContact O-N 3.13Å; T353-N357 PolarHBondContact O-ND2 3.37Å
354E89.8Confident90.4Very high70 Ų7067.5 Ų67.533%0.32735%0.348SS..Hα-helixtrans-64.7-43.6173.1-159.8-174.6176.800110.6W321 K325 S350 L351 A352 N357 H358W321-E354 HydrophobicContact CZ2-CG 4.11Å; K325-E354 WeakPolarHBondContact CE-OE1 3.4Å; K325-E354 IonicContact NZ-OE1 2.75Å; K325-E354 PolarHBondContact NZ-OE1 3.42Å; K325-E354 IonicContact NZ-OE2 2.76Å; K325-E354 PolarHBondContact NZ-OE2 3.33Å; S350-E354 PolarHBondContact O-N 3.06Å; L351-E354 WeakPolarHBondContact O-CB 3.42Å; L351-E354 PolarHBondContact O-N 3.01Å; L351-E354 VanDerWaalsContact O-N 3.17Å; A352-E354 VanDerWaalsContact C-N 3.28Å; A352-E354 PolarHBondContact O-N 3.15Å; E354-N357 PolarHBondContact O-N 2.68Å; E354-H358 PolarHBondContact O-CD2 3.16Å; E354-H358 PolarHBondContact O-N 2.89Å; E354-H358 VanDerWaalsContact O-N 3.14Å
355I90.2Very high90.3Very high4 Ų466.5 Ų66.52%0.02134%0.343CS..Hα-helixtrans-69.3-43.9178.2-77.5156.5000112.2W321 L351 A352 N357 H358 E359 W394 L397 K398 I401W321-I355 HydrophobicContact CH2-CB 4.5Å; W321-I355 HydrophobicContact CH2-CG1 3.54Å; W321-I355 HydrophobicContact CZ3-CG1 3.93Å; L351-I355 HydrophobicContact CD1-CD1 4.46Å; L351-I355 HydrophobicContact CG-CD1 4.24Å; L351-I355 PolarHBondContact O-N 3.36Å; A352-I355 PolarHBondContact O-N 3.12Å; A352-I355 VanDerWaalsContact O-N 3.14Å; I355-N357 PolarHBondContact O-N 3.46Å; I355-H358 PolarHBondContact O-N 3.36Å; I355-E359 PolarHBondContact O-N 3.4Å; I355-W394 HydrophobicContact CB-CH2 4.28Å; I355-W394 HydrophobicContact CG2-CH2 3.68Å; I355-W394 HydrophobicContact CG2-CZ2 3.73Å; I355-W394 HydrophobicContact CG2-CZ3 4.43Å; I355-W394 WeakPolarHBondContact O-CH2 3.5Å; I355-W394 VanDerWaalsContact O-CZ2 3.32Å; I355-W394 WeakPolarHBondContact O-CZ2 3.44Å; I355-L397 HydrophobicContact CD1-CD1 4.06Å; I355-L397 HydrophobicContact CD1-CD2 3.66Å; I355-L397 HydrophobicContact CD1-CG 3.72Å; I355-L397 HydrophobicContact CG1-CD2 3.88Å; I355-L397 HydrophobicContact CG1-CG 4.41Å; I355-K398 HydrophobicContact CG2-CG 4.2Å; I355-I401 HydrophobicContact CD1-CD1 3.14Å; I355-I401 HydrophobicContact CD1-CG1 4.34Å
356D89.1Confident90.2Very high88 Ų8863.4 Ų63.447%0.47133%0.33SS..Hα-helixtrans-60-34.8175.1-66.9-25.3000111.6A352 E359 P360A352-D356 PolarHBondContact O-N 3.43Å; D356-E359 PolarHBondContact O-N 3.02Å; D356-P360 WeakPolarHBondContact O-CD 3.4Å
357N90.4Very high90Very high125 Ų12560.3 Ų60.367%0.66832%0.32SS*.Hα-helixtrans-72.8-25174.4-73.1-31.2000113.8T353 E354 I355 P360T353-N357 WeakPolarHBondContact O-CB 3.23Å; T353-N357 PolarHBondContact O-N 3.36Å; T353-N357 VanDerWaalsContact O-N 3.13Å; T353-N357 PolarHBondContact O-ND2 3.37Å; E354-N357 PolarHBondContact O-N 2.68Å; I355-N357 PolarHBondContact O-N 3.46Å; N357-P360 WeakPolarHBondContact O-CD 3.47Å
358H88.9Confident89.9Confident53 Ų5357.8 Ų57.825%0.24531%0.313CS..Hα-helixtrans-83.4-19.6173.9-90.6-104.4000113E318 W321 E354 I355 P360 R361 I362 W394E318-H358 IonicContact OE2-ND1 3.68Å; W321-H358 AromaticContact CD1-CE1 3.95Å; W321-H358 AromaticContact CE2-CD2 3.9Å; W321-H358 AromaticContact CE2-CE1 3.48Å; W321-H358 VanDerWaalsContact CE2-CE1 3.48Å; W321-H358 AromaticContact CE2-ND1 3.77Å; W321-H358 AromaticContact CE2-NE2 3.58Å; W321-H358 HydrophobicContact CH2-CB 3.97Å; W321-H358 AromaticContact CH2-CD2 3.86Å; W321-H358 AromaticContact CH2-CG 3.76Å; W321-H358 HydrophobicContact CZ2-CB 4.34Å; W321-H358 AromaticContact CZ2-CD2 3.37Å; W321-H358 WeakPolarHBondContact CZ2-CD2 3.5Å; W321-H358 AromaticContact CZ2-CE1 3.78Å; W321-H358 AromaticContact CZ2-CG 3.63Å; W321-H358 AromaticContact CZ2-ND1 3.88Å; W321-H358 AromaticContact CZ2-NE2 3.5Å; W321-H358 WeakPolarHBondContact CZ2-NE2 3.45Å; W321-H358 HydrophobicContact CZ3-CB 4.33Å; W321-H358 AromaticContact NE1-CE1 3.43Å; W321-H358 PolarHBondContact NE1-CE1 3.01Å; W321-H358 AromaticContact NE1-NE2 3.55Å; E354-H358 PolarHBondContact O-CD2 3.16Å; E354-H358 PolarHBondContact O-N 2.89Å; E354-H358 VanDerWaalsContact O-N 3.14Å; I355-H358 PolarHBondContact O-N 3.36Å; H358-P360 VanDerWaalsContact C-CD 3.49Å; H358-R361 WeakPolarHBondContact O-CB 3.36Å; H358-R361 PolarHBondContact O-N 2.93Å; H358-I362 PolarHBondContact O-N 3.38Å; H358-I362 VanDerWaalsContact O-N 3.17Å; H358-W394 HydrophobicContact CB-CH2 3.73Å; H358-W394 HydrophobicContact CB-CZ3 4.27Å
359E90.6Very high89.6Confident59 Ų5957.3 Ų57.328%0.27631%0.311SS..Hα-helixtrans-54.9-41.1-179.9-174143.2-118.800115.1I355 D356 R361 I362 N363 W394 K398I355-E359 PolarHBondContact O-N 3.4Å; D356-E359 PolarHBondContact O-N 3.02Å; E359-R361 PolarHBondContact O-N 2.99Å; E359-I362 PolarHBondContact O-N 3.4Å; E359-N363 WeakPolarHBondContact CG-ND2 3.38Å; E359-N363 WeakPolarHBondContact O-CB 3.08Å; E359-N363 PolarHBondContact O-N 3.36Å; E359-N363 PolarHBondContact O-ND2 2.93Å; E359-W394 HydrophobicContact CB-CZ2 3.79Å; E359-W394 HydrophobicContact CG-CZ2 4.38Å; E359-W394 PolarHBondContact OE1-NE1 3.33Å; E359-K398 WeakPolarHBondContact OE1-CE 3.46Å; E359-K398 IonicContact OE1-NZ 3.09Å; E359-K398 PolarHBondContact OE1-NZ 3.41Å; E359-K398 IonicContact OE2-NZ 3.85Å; E359-K398 PolarHBondContact OE2-NZ 3.42Å
360P91.3Very high89.3Confident86 Ų8657.1 Ų57.156%0.55830%0.304SS*.Hα-helixtrans-61.1-32.5175.6-2435.4000113.2D356 N357 H358 A364D356-P360 WeakPolarHBondContact O-CD 3.4Å; N357-P360 WeakPolarHBondContact O-CD 3.47Å; H358-P360 VanDerWaalsContact C-CD 3.49Å; P360-A364 WeakPolarHBondContact O-CB 3.42Å; P360-A364 PolarHBondContact O-N 2.98Å
361R89.6Confident89.2Confident108 Ų10857.6 Ų57.641%0.40830%0.298SS..Hα-helixtrans-72.5-46.6179.3175.165.9178.1168.79.7111.1D314 E318 H358 E359 N363 A364 I365D314-R361 IonicContact OD1-NH2 3.84Å; D314-R361 PolarHBondContact OD1-NH2 2.87Å; D314-R361 IonicContact OD2-NH2 3.11Å; E318-R361 WeakPolarHBondContact OE1-CG 3.48Å; E318-R361 IonicContact OE1-CZ 2.62Å; E318-R361 IonicContact OE1-NE 2.75Å; E318-R361 PolarHBondContact OE1-NE 3.01Å; E318-R361 IonicContact OE1-NH2 2.69Å; H358-R361 WeakPolarHBondContact O-CB 3.36Å; H358-R361 PolarHBondContact O-N 2.93Å; E359-R361 PolarHBondContact O-N 2.99Å; R361-N363 VanDerWaalsContact C-N 3.32Å; R361-N363 PolarHBondContact O-N 3.1Å; R361-A364 PolarHBondContact O-N 3.34Å; R361-I365 HydrophobicContact CG-CD1 4.12Å; R361-I365 WeakPolarHBondContact O-CG1 3.36Å; R361-I365 PolarHBondContact O-N 3.24Å
362I90.6Very high88.9Confident5 Ų557 Ų573%0.02630%0.295CS..Hα-helixtrans-55.7-48.1172.6-61.3-70.8000110.6E318 I322 H358 E359 A364 I365 C366 L390 W394E318-I362 HydrophobicContact CB-CD1 3.72Å; E318-I362 HydrophobicContact CG-CD1 3.97Å; I322-I362 HydrophobicContact CD1-CD1 4.41Å; H358-I362 PolarHBondContact O-N 3.38Å; H358-I362 VanDerWaalsContact O-N 3.17Å; E359-I362 PolarHBondContact O-N 3.4Å; I362-A364 PolarHBondContact O-N 3.13Å; I362-I365 PolarHBondContact O-N 3.26Å; I362-C366 PolarHBondContact O-N 3.26Å; I362-C366 PolarHBondContact O-SG 3.38Å; I362-L390 HydrophobicContact CD1-CD1 3.99Å; I362-L390 HydrophobicContact CD1-CD2 4.38Å; I362-L390 HydrophobicContact CD1-CG 4.36Å; I362-L390 HydrophobicContact CG2-CD2 4.43Å; I362-L390 HydrophobicContact CG2-CG 4.45Å; I362-W394 HydrophobicContact CD1-CD2 4.44Å; I362-W394 HydrophobicContact CD1-CE3 3.89Å; I362-W394 HydrophobicContact CD1-CZ3 4.1Å; I362-W394 HydrophobicContact CG1-CD2 3.92Å; I362-W394 HydrophobicContact CG1-CE3 3.7Å; I362-W394 HydrophobicContact CG1-CH2 4.06Å; I362-W394 HydrophobicContact CG1-CZ2 4.3Å; I362-W394 HydrophobicContact CG1-CZ3 3.74Å; I362-W394 HydrophobicContact CG2-CD2 4.35Å; I362-W394 HydrophobicContact CG2-CG 4.22Å
363N90.3Very high88.6Confident76 Ų7657.9 Ų57.941%0.40630%0.295SS..Hα-helixtrans-63.1-41.1177.9-78.3-57.6000112.7E359 R361 C366 N367E359-N363 WeakPolarHBondContact CG-ND2 3.38Å; E359-N363 WeakPolarHBondContact O-CB 3.08Å; E359-N363 PolarHBondContact O-N 3.36Å; E359-N363 PolarHBondContact O-ND2 2.93Å; R361-N363 VanDerWaalsContact C-N 3.32Å; R361-N363 PolarHBondContact O-N 3.1Å; N363-C366 PolarHBondContact O-N 3.1Å; N363-N367 WeakPolarHBondContact O-CB 3.36Å; N363-N367 PolarHBondContact O-N 3.15Å; N363-N367 PolarHBondContact O-ND2 2.91Å
364A89.3Confident88.4Confident43 Ų4361 Ų6136%0.35531%0.31SS..Hα-helixtrans-62.5-43.1176.300000112.2P360 R361 I362 N367 N368P360-A364 WeakPolarHBondContact O-CB 3.42Å; P360-A364 PolarHBondContact O-N 2.98Å; R361-A364 PolarHBondContact O-N 3.34Å; I362-A364 PolarHBondContact O-N 3.13Å; A364-N367 PolarHBondContact O-N 3.5Å; A364-N368 VanDerWaalsContact O-CG 3.29Å; A364-N368 PolarHBondContact O-N 3.29Å
365I89.4Confident88Confident1 Ų161.9 Ų61.91%0.00531%0.313CS..Hα-helixtrans-64.7-45176.9-68.1162.2000110.6F311 D314 V315 E318 R361 I362 N367 N368 G369 L390F311-I365 HydrophobicContact CD2-CG2 3.99Å; F311-I365 WeakPolarHBondContact CD2-O 3.49Å; F311-I365 HydrophobicContact CE2-CG2 3.87Å; F311-I365 VanDerWaalsContact CE2-O 3.32Å; F311-I365 WeakPolarHBondContact CE2-O 3.46Å; D314-I365 HydrophobicContact CB-CD1 3.85Å; D314-I365 HydrophobicContact CB-CG1 3.91Å; D314-I365 HydrophobicContact CB-CG2 4.22Å; V315-I365 HydrophobicContact CG2-CG2 3.52Å; E318-I365 HydrophobicContact CG-CD1 3.32Å; R361-I365 HydrophobicContact CG-CD1 4.12Å; R361-I365 WeakPolarHBondContact O-CG1 3.36Å; R361-I365 PolarHBondContact O-N 3.24Å; I362-I365 PolarHBondContact O-N 3.26Å; I365-N367 VanDerWaalsContact C-N 3.31Å; I365-N367 PolarHBondContact O-N 2.74Å; I365-N368 PolarHBondContact O-N 3.19Å; I365-G369 PolarHBondContact O-N 3Å; I365-L390 HydrophobicContact CG2-CD2 4.22Å
366C88.4Confident87.4Confident5 Ų564.4 Ų64.43%0.03434%0.34CS..Hα-helixtrans-61.3-38.9175.8-66.90000112.4I362 N363 G369 R370 I387I362-C366 PolarHBondContact O-N 3.26Å; I362-C366 PolarHBondContact O-SG 3.38Å; N363-C366 PolarHBondContact O-N 3.1Å; C366-G369 PolarHBondContact O-N 3.48Å; C366-R370 WeakPolarHBondContact O-CG 3.33Å; C366-R370 PolarHBondContact O-N 2.82Å; C366-I387 HydrophobicContact CB-CG2 4.2Å
367N89.1Confident86.9Confident84 Ų8461.4 Ų61.445%0.44932%0.324SS..Hα-helixtrans-68.8-38.6175.9-71.1-23.4000112.5N363 A364 I365 R370 K371N363-N367 WeakPolarHBondContact O-CB 3.36Å; N363-N367 PolarHBondContact O-N 3.15Å; N363-N367 PolarHBondContact O-ND2 2.91Å; A364-N367 PolarHBondContact O-N 3.5Å; I365-N367 VanDerWaalsContact C-N 3.31Å; I365-N367 PolarHBondContact O-N 2.74Å; N367-R370 PolarHBondContact O-N 3.09Å; N367-R370 PolarHBondContact OD1-NH1 3.48Å; N367-K371 PolarHBondContact O-N 2.86Å
368N86.7Confident86.3Confident82 Ų8264.7 Ų64.744%0.43934%0.335SS..Hα-helixtrans-63-42.2172.9-72.3-13000111.6A364 I365 K371 L372A364-N368 VanDerWaalsContact O-CG 3.29Å; A364-N368 PolarHBondContact O-N 3.29Å; I365-N368 PolarHBondContact O-N 3.19Å; N368-K371 WeakPolarHBondContact O-CB 3.21Å; N368-K371 PolarHBondContact O-N 2.82Å; N368-L372 WeakPolarHBondContact O-CG 3.4Å; N368-L372 PolarHBondContact O-N 3.26Å; N368-L372 VanDerWaalsContact O-N 3.12Å
369G84.9Confident86Confident0 Ų065.9 Ų65.90%034%0.343CS..Hα-helixtrans-62.3-41.117400000112.9F311 I365 C366 L372 I373F311-G369 VanDerWaalsContact CE2-CA 3.41Å; I365-G369 PolarHBondContact O-N 3Å; C366-G369 PolarHBondContact O-N 3.48Å; G369-L372 PolarHBondContact O-N 3.13Å; G369-I373 WeakPolarHBondContact O-CG1 3.4Å; G369-I373 PolarHBondContact O-N 3.32Å; G369-I373 VanDerWaalsContact O-N 3.15Å
370R87.2Confident85.7Confident127 Ų12764.1 Ų64.148%0.47934%0.339SS..Hα-helixtrans-62.2-46.3173.6-73.2170.2-177.7161.50.1112.2C366 N367 L372 I373 D374 I387C366-R370 WeakPolarHBondContact O-CG 3.33Å; C366-R370 PolarHBondContact O-N 2.82Å; N367-R370 PolarHBondContact O-N 3.09Å; N367-R370 PolarHBondContact OD1-NH1 3.48Å; R370-L372 VanDerWaalsContact C-N 3.28Å; R370-L372 PolarHBondContact O-N 3.2Å; R370-I373 WeakPolarHBondContact O-CA 3.33Å; R370-I373 WeakPolarHBondContact O-CB 3.42Å; R370-I373 PolarHBondContact O-N 3.32Å; R370-D374 PolarHBondContact O-N 3.47Å; R370-I387 HydrophobicContact CG-CD1 4.17Å
371K86.9Confident85.3Confident80 Ų8068.7 Ų68.735%0.34835%0.35SS..Hα-helixtrans-52.3-45.3173.6174.6-172176.9-73.50111.8E307 N367 N368 I373 D374 E375E307-K371 IonicContact OE1-NZ 2.66Å; E307-K371 IonicContact OE2-NZ 3.03Å; E307-K371 PolarHBondContact OE2-NZ 3.39Å; N367-K371 PolarHBondContact O-N 2.86Å; N368-K371 WeakPolarHBondContact O-CB 3.21Å; N368-K371 PolarHBondContact O-N 2.82Å; K371-I373 VanDerWaalsContact C-N 3.32Å; K371-I373 PolarHBondContact O-N 3.39Å; K371-D374 PolarHBondContact O-N 3.43Å; K371-E375 WeakPolarHBondContact CE-OE1 3.47Å; K371-E375 WeakPolarHBondContact CG-OE1 3.38Å; K371-E375 IonicContact NZ-OE1 2.7Å; K371-E375 PolarHBondContact NZ-OE1 3.29Å; K371-E375 IonicContact NZ-OE2 2.66Å; K371-E375 WeakPolarHBondContact O-CB 3.37Å; K371-E375 WeakPolarHBondContact O-CG 3.42Å; K371-E375 PolarHBondContact O-N 2.79Å
372L83.9Confident85.2Confident3 Ų369 Ų692%0.01635%0.354CS..Hα-helixtrans-66.3-30.9178.4-70.7167.9000113.5E307 F311 N368 G369 R370 H377 F383E307-L372 HydrophobicContact CB-CD2 3.91Å; F311-L372 HydrophobicContact CB-CD1 3.81Å; F311-L372 HydrophobicContact CD1-CD1 4.39Å; F311-L372 HydrophobicContact CG-CD1 4.14Å; N368-L372 WeakPolarHBondContact O-CG 3.4Å; N368-L372 PolarHBondContact O-N 3.26Å; N368-L372 VanDerWaalsContact O-N 3.12Å; G369-L372 PolarHBondContact O-N 3.13Å; R370-L372 VanDerWaalsContact C-N 3.28Å; R370-L372 PolarHBondContact O-N 3.2Å; L372-H377 WeakPolarHBondContact O-CB 3.5Å; L372-H377 PolarHBondContact O-N 2.92Å; L372-F383 HydrophobicContact CB-CD2 3.85Å; L372-F383 HydrophobicContact CB-CE2 3.81Å; L372-F383 HydrophobicContact CD1-CE2 4.18Å
373I85Confident85.1Confident44 Ų4468.9 Ų68.923%0.22635%0.353CS..Hα-helixtrans-70.5-48.5172.9-67162.8000110.2G369 R370 K371 E375 G376 A380 F383 E384 I387G369-I373 WeakPolarHBondContact O-CG1 3.4Å; G369-I373 PolarHBondContact O-N 3.32Å; G369-I373 VanDerWaalsContact O-N 3.15Å; R370-I373 WeakPolarHBondContact O-CA 3.33Å; R370-I373 WeakPolarHBondContact O-CB 3.42Å; R370-I373 PolarHBondContact O-N 3.32Å; K371-I373 VanDerWaalsContact C-N 3.32Å; K371-I373 PolarHBondContact O-N 3.39Å; I373-E375 VanDerWaalsContact C-N 3.28Å; I373-E375 PolarHBondContact O-N 2.87Å; I373-G376 WeakPolarHBondContact O-CA 3.47Å; I373-G376 PolarHBondContact O-N 3.38Å; I373-A380 HydrophobicContact CB-CB 4.42Å; I373-A380 HydrophobicContact CG1-CB 4.13Å; I373-A380 HydrophobicContact CG2-CB 4.26Å; I373-F383 HydrophobicContact CD1-CB 4.01Å; I373-F383 HydrophobicContact CG1-CB 3.98Å; I373-F383 HydrophobicContact CG1-CD2 4.36Å; I373-E384 HydrophobicContact CD1-CB 4.03Å; I373-I387 HydrophobicContact CD1-CD1 3.99Å
374D84.2Confident85Confident139 Ų13971.3 Ų71.374%0.74336%0.362SS*.Hα-helixtrans-62.2-34.2179.9-66.4-27.1000112.2R370 K371 G376R370-D374 PolarHBondContact O-N 3.47Å; K371-D374 PolarHBondContact O-N 3.43Å; D374-G376 PolarHBondContact O-N 2.94Å
375E81.6Confident84.9Confident87 Ų8772.1 Ų72.141%0.40737%0.369SS..THydrogen-bonded Turntrans-744172.3-73.1179-164.700114.1K304 K371 I373K304-E375 PolarHBondContact NZ-O 3.1Å; K371-E375 WeakPolarHBondContact CE-OE1 3.47Å; K371-E375 WeakPolarHBondContact CG-OE1 3.38Å; K371-E375 IonicContact NZ-OE1 2.7Å; K371-E375 PolarHBondContact NZ-OE1 3.29Å; K371-E375 IonicContact NZ-OE2 2.66Å; K371-E375 WeakPolarHBondContact O-CB 3.37Å; K371-E375 WeakPolarHBondContact O-CG 3.42Å; K371-E375 PolarHBondContact O-N 2.79Å; I373-E375 VanDerWaalsContact C-N 3.28Å; I373-E375 PolarHBondContact O-N 2.87Å
376G77.5Confident84.9Confident57 Ų5773.8 Ų73.859%0.58838%0.378SS*.THydrogen-bonded Turntrans65.244.5175.800000113.8I373 D374I373-G376 WeakPolarHBondContact O-CA 3.47Å; I373-G376 PolarHBondContact O-N 3.38Å; D374-G376 PolarHBondContact O-N 2.94Å
377H79.9Confident85Confident26 Ų2674.2 Ų74.212%0.1238%0.38CS..  trans-67.2145.9173.6-167.4-87000112A308 L372 D379 A380 F383A308-H377 WeakPolarHBondContact CB-NE2 3.37Å; L372-H377 WeakPolarHBondContact O-CB 3.5Å; L372-H377 PolarHBondContact O-N 2.92Å; H377-D379 VanDerWaalsContact C-N 3.28Å; H377-D379 IonicContact CE1-OD2 3.98Å; H377-D379 PolarHBondContact ND1-N 3.04Å; H377-D379 VanDerWaalsContact ND1-N 3.19Å; H377-D379 PolarHBondContact O-N 3.31Å; H377-A380 WeakPolarHBondContact O-CB 3.49Å; H377-A380 PolarHBondContact O-N 2.87Å; H377-A380 VanDerWaalsContact O-N 3.07Å; H377-F383 HydrophobicContact CB-CE2 3.87Å; H377-F383 AromaticContact CE1-CZ 3.73Å; H377-F383 AromaticContact CG-CE2 3.62Å; H377-F383 AromaticContact ND1-CE2 3.37Å; H377-F383 WeakPolarHBondContact ND1-CE2 3.46Å; H377-F383 AromaticContact ND1-CZ 3.45Å; H377-F383 WeakPolarHBondContact ND1-CZ 3.37Å
378E78.1Confident85Confident193 Ų19373.9 Ų73.990%0.90238%0.384SS*.THydrogen-bonded Turntrans-57.2-40.4-176.9-62.2179172.200112.3A380E378-A380 VanDerWaalsContact C-N 3.34Å; E378-A380 PolarHBondContact O-N 3.41Å
379D81.6Confident85.2Confident79 Ų7973.1 Ų73.142%0.42238%0.38SS..THydrogen-bonded Turntrans-83.115.2177.6-72.2-52.3000115.6H377 K381 K382 F383H377-D379 VanDerWaalsContact C-N 3.28Å; H377-D379 IonicContact CE1-OD2 3.98Å; H377-D379 PolarHBondContact ND1-N 3.04Å; H377-D379 VanDerWaalsContact ND1-N 3.19Å; H377-D379 PolarHBondContact O-N 3.31Å; D379-K381 VanDerWaalsContact C-N 3.27Å; D379-K381 PolarHBondContact O-N 3.23Å; D379-K382 HydrophobicContact CB-CB 4.29Å; D379-K382 WeakPolarHBondContact O-CA 3.44Å; D379-K382 VanDerWaalsContact O-CB 3.28Å; D379-K382 WeakPolarHBondContact O-CB 3.33Å; D379-K382 PolarHBondContact O-N 3.49Å; D379-F383 HydrophobicContact CB-CE1 3.96Å; D379-F383 HydrophobicContact CB-CE2 4.35Å; D379-F383 HydrophobicContact CB-CZ 3.84Å; D379-F383 PolarHBondContact O-N 2.88Å
380A83.8Confident85.4Confident22 Ų2273.1 Ų73.118%0.18238%0.38CS..Hα-helixtrans-47.7-42.7-17300000114.7I373 H377 E378 K382 F383 E384I373-A380 HydrophobicContact CB-CB 4.42Å; I373-A380 HydrophobicContact CG1-CB 4.13Å; I373-A380 HydrophobicContact CG2-CB 4.26Å; H377-A380 WeakPolarHBondContact O-CB 3.49Å; H377-A380 PolarHBondContact O-N 2.87Å; H377-A380 VanDerWaalsContact O-N 3.07Å; E378-A380 VanDerWaalsContact C-N 3.34Å; E378-A380 PolarHBondContact O-N 3.41Å; A380-K382 VanDerWaalsContact C-N 3.3Å; A380-K382 PolarHBondContact O-N 3.34Å; A380-F383 PolarHBondContact O-N 3.5Å; A380-E384 PolarHBondContact O-N 2.86Å
381K84.4Confident85.6Confident181 Ų18170.3 Ų70.379%0.78738%0.377SS*.Hα-helixtrans-62.5-32.7176.8-67.5-176.7177.3-179.20113.8D379 A385D379-K381 VanDerWaalsContact C-N 3.27Å; D379-K381 PolarHBondContact O-N 3.23Å; K381-A385 PolarHBondContact O-N 3.35Å
382K86.6Confident85.9Confident116 Ų11671.7 Ų71.750%0.50439%0.385SS..Hα-helixtrans-71.2-39.6176.5-174.3-172.6176.2-1700110.2D379 A380 A385 L386D379-K382 HydrophobicContact CB-CB 4.29Å; D379-K382 WeakPolarHBondContact O-CA 3.44Å; D379-K382 VanDerWaalsContact O-CB 3.28Å; D379-K382 WeakPolarHBondContact O-CB 3.33Å; D379-K382 PolarHBondContact O-N 3.49Å; A380-K382 VanDerWaalsContact C-N 3.3Å; A380-K382 PolarHBondContact O-N 3.34Å; K382-A385 PolarHBondContact O-N 2.99Å; K382-L386 HydrophobicContact CG-CD1 4.35Å; K382-L386 WeakPolarHBondContact O-CB 3.49Å; K382-L386 VanDerWaalsContact O-CG 3.3Å; K382-L386 WeakPolarHBondContact O-CG 3.37Å; K382-L386 PolarHBondContact O-N 2.71Å
383F88.6Confident86.2Confident1 Ų173.7 Ų73.70%0.00439%0.393CS..Hα-helixtrans-65.8-42175.9-56.2-23.8000111.6A308 F311 L372 I373 H377 D379 A380 A385 L386 I387A308-F383 HydrophobicContact CB-CE2 4.5Å; A308-F383 HydrophobicContact CB-CZ 3.77Å; F311-F383 HydrophobicContact CD1-CB 4.46Å; F311-F383 AromaticContact CD1-CD1 3.71Å; F311-F383 HydrophobicContact CD1-CD1 3.71Å; F311-F383 HydrophobicContact CD1-CE1 4.12Å; F311-F383 HydrophobicContact CD1-CG 4.07Å; F311-F383 HydrophobicContact CE1-CB 3.74Å; F311-F383 AromaticContact CE1-CD1 3.59Å; F311-F383 HydrophobicContact CE1-CD1 3.59Å; F311-F383 HydrophobicContact CE1-CE1 4.43Å; F311-F383 AromaticContact CE1-CG 3.79Å; F311-F383 HydrophobicContact CE1-CG 3.79Å; F311-F383 HydrophobicContact CZ-CB 4.36Å; L372-F383 HydrophobicContact CB-CD2 3.85Å; L372-F383 HydrophobicContact CB-CE2 3.81Å; L372-F383 HydrophobicContact CD1-CE2 4.18Å; I373-F383 HydrophobicContact CD1-CB 4.01Å; I373-F383 HydrophobicContact CG1-CB 3.98Å; I373-F383 HydrophobicContact CG1-CD2 4.36Å; H377-F383 HydrophobicContact CB-CE2 3.87Å; H377-F383 AromaticContact CE1-CZ 3.73Å; H377-F383 AromaticContact CG-CE2 3.62Å; H377-F383 AromaticContact ND1-CE2 3.37Å; H377-F383 WeakPolarHBondContact ND1-CE2 3.46Å; H377-F383 AromaticContact ND1-CZ 3.45Å; H377-F383 WeakPolarHBondContact ND1-CZ 3.37Å; D379-F383 HydrophobicContact CB-CE1 3.96Å; D379-F383 HydrophobicContact CB-CE2 4.35Å; D379-F383 HydrophobicContact CB-CZ 3.84Å; D379-F383 PolarHBondContact O-N 2.88Å; A380-F383 PolarHBondContact O-N 3.5Å; F383-A385 PolarHBondContact O-N 3.39Å; F383-L386 PolarHBondContact O-N 3.48Å; F383-I387 VanDerWaalsContact O-CG1 3.26Å; F383-I387 WeakPolarHBondContact O-CG1 3.34Å; F383-I387 PolarHBondContact O-N 3.42Å
384E87.4Confident86.6Confident127 Ų12772.1 Ų72.159%0.59338%0.384SS*.Hα-helixtrans-59.9-45176.5-168.9171.3-152.900112I373 A380 L386 I387 S388I373-E384 HydrophobicContact CD1-CB 4.03Å; A380-E384 PolarHBondContact O-N 2.86Å; E384-L386 PolarHBondContact O-N 3Å; E384-I387 PolarHBondContact O-N 2.98Å; E384-S388 PolarHBondContact O-N 2.96Å
385A88.3Confident86.9Confident61 Ų6170.1 Ų70.150%0.50437%0.37SS..Hα-helixtrans-62.7-40.9173.500000112.8K381 K382 F383 S388 D389K381-A385 PolarHBondContact O-N 3.35Å; K382-A385 PolarHBondContact O-N 2.99Å; F383-A385 PolarHBondContact O-N 3.39Å; A385-S388 PolarHBondContact O-N 2.74Å; A385-D389 WeakPolarHBondContact O-CB 3.37Å; A385-D389 PolarHBondContact O-N 2.9Å
386L89.4Confident87.4Confident36 Ų3669.9 Ų69.919%0.18837%0.369CS..Hα-helixtrans-65-39.9177.6-78.9174000112.9F311 V315 K382 F383 E384 L390F311-L386 HydrophobicContact CE1-CB 4.4Å; F311-L386 HydrophobicContact CE1-CD1 4.27Å; F311-L386 HydrophobicContact CZ-CB 4.4Å; V315-L386 HydrophobicContact CG1-CB 4.21Å; V315-L386 HydrophobicContact CG1-CD2 4.11Å; K382-L386 HydrophobicContact CG-CD1 4.35Å; K382-L386 WeakPolarHBondContact O-CB 3.49Å; K382-L386 VanDerWaalsContact O-CG 3.3Å; K382-L386 WeakPolarHBondContact O-CG 3.37Å; K382-L386 PolarHBondContact O-N 2.71Å; F383-L386 PolarHBondContact O-N 3.48Å; E384-L386 PolarHBondContact O-N 3Å; L386-L390 WeakPolarHBondContact O-CB 3.47Å; L386-L390 PolarHBondContact O-N 2.98Å
387I89.3Confident88.1Confident14 Ų1467.2 Ų67.27%0.07234%0.341CS..Hα-helixtrans-64.4-45.7174.1-66.7163.6000110.2F311 C366 R370 I373 F383 E384 L390 T391F311-I387 HydrophobicContact CE2-CG1 4.27Å; F311-I387 HydrophobicContact CZ-CD1 4.4Å; F311-I387 HydrophobicContact CZ-CG1 3.84Å; C366-I387 HydrophobicContact CB-CG2 4.2Å; R370-I387 HydrophobicContact CG-CD1 4.17Å; I373-I387 HydrophobicContact CD1-CD1 3.99Å; F383-I387 VanDerWaalsContact O-CG1 3.26Å; F383-I387 WeakPolarHBondContact O-CG1 3.34Å; F383-I387 PolarHBondContact O-N 3.42Å; E384-I387 PolarHBondContact O-N 2.98Å; I387-L390 PolarHBondContact O-N 3.17Å; I387-T391 WeakPolarHBondContact O-CB 3.48Å; I387-T391 PolarHBondContact O-N 2.97Å; I387-T391 PolarHBondContact O-OG1 3.31Å
388S90.6Very high88.6Confident77 Ų7768.5 Ų68.554%0.53835%0.347SS..Hα-helixtrans-60.3-47.2179.6-169.60000111.6E384 A385 T391 Q392E384-S388 PolarHBondContact O-N 2.96Å; A385-S388 PolarHBondContact O-N 2.74Å; S388-T391 PolarHBondContact O-N 3.48Å; S388-Q392 WeakPolarHBondContact O-CB 3.38Å; S388-Q392 PolarHBondContact O-N 2.96Å
389D90.2Very high89.3Confident65 Ų6563.4 Ų63.435%0.34833%0.326SS..Hα-helixtrans-66.2-41.6179.7-176.844000112.2K319 A385 Q392 K393K319-D389 WeakPolarHBondContact CE-OD2 3.46Å; K319-D389 IonicContact NZ-OD2 2.7Å; K319-D389 PolarHBondContact NZ-OD2 2.91Å; A385-D389 WeakPolarHBondContact O-CB 3.37Å; A385-D389 PolarHBondContact O-N 2.9Å; D389-Q392 PolarHBondContact O-N 3.41Å; D389-K393 PolarHBondContact O-N 3.11Å
390L89.9Confident89.7Confident0 Ų060 Ų600%031%0.309CS..Hα-helixtrans-62.8-42.9173.8-178.864.1000111.8V315 E318 K319 I322 I362 I365 L386 I387 W394V315-L390 HydrophobicContact CG1-CB 4.32Å; V315-L390 HydrophobicContact CG1-CD2 4.44Å; V315-L390 HydrophobicContact CG2-CD2 4.25Å; E318-L390 HydrophobicContact CB-CD1 3.97Å; K319-L390 HydrophobicContact CG-CD1 3.9Å; I322-L390 HydrophobicContact CD1-CD1 3.77Å; I362-L390 HydrophobicContact CD1-CD1 3.99Å; I362-L390 HydrophobicContact CD1-CD2 4.38Å; I362-L390 HydrophobicContact CD1-CG 4.36Å; I362-L390 HydrophobicContact CG2-CD2 4.43Å; I362-L390 HydrophobicContact CG2-CG 4.45Å; I365-L390 HydrophobicContact CG2-CD2 4.22Å; L386-L390 WeakPolarHBondContact O-CB 3.47Å; L386-L390 PolarHBondContact O-N 2.98Å; I387-L390 PolarHBondContact O-N 3.17Å; L390-W394 WeakPolarHBondContact O-CB 3.4Å; L390-W394 PolarHBondContact O-N 3.09Å
391T90.3Very high90.1Very high68 Ų6859.6 Ų59.642%0.41730%0.303SS..Hα-helixtrans-67.2-38.6179.5-51.90000111.4I387 S388 W394 Q395I387-T391 WeakPolarHBondContact O-CB 3.48Å; I387-T391 PolarHBondContact O-N 2.97Å; I387-T391 PolarHBondContact O-OG1 3.31Å; S388-T391 PolarHBondContact O-N 3.48Å; T391-W394 PolarHBondContact O-N 3.46Å; T391-Q395 PolarHBondContact O-N 2.99Å; T391-Q395 VanDerWaalsContact O-N 3.07Å
392Q92.5Very high90.4Very high110 Ų11055.5 Ų55.551%0.51429%0.287SS..Hα-helixtrans-63.4-53175.3-177.9-176.7-29.100111S388 D389 W394 Q395 E396S388-Q392 WeakPolarHBondContact O-CB 3.38Å; S388-Q392 PolarHBondContact O-N 2.96Å; D389-Q392 PolarHBondContact O-N 3.41Å; Q392-W394 PolarHBondContact O-N 3.08Å; Q392-Q395 PolarHBondContact O-N 3.2Å; Q392-E396 WeakPolarHBondContact CG-OE1 3.18Å; Q392-E396 PolarHBondContact NE2-OE1 3.4Å; Q392-E396 WeakPolarHBondContact O-CG 3.39Å; Q392-E396 PolarHBondContact O-N 2.89Å
393K90.9Very high90.6Very high45 Ų4554.6 Ų54.620%0.19629%0.288CS..Hα-helixtrans-57.8-37.2177.2-76.7-162.5173.6-155.20112.7K319 I322 D323 D389 E396 L397K319-K393 HydrophobicContact CG-CD 4.34Å; I322-K393 HydrophobicContact CD1-CB 4.12Å; I322-K393 HydrophobicContact CG2-CB 4.03Å; D323-K393 IonicContact OD1-NZ 2.65Å; D323-K393 PolarHBondContact OD1-NZ 3.39Å; D323-K393 IonicContact OD2-NZ 2.74Å; D323-K393 PolarHBondContact OD2-NZ 3.44Å; D389-K393 PolarHBondContact O-N 3.11Å; K393-E396 PolarHBondContact O-N 3.48Å; K393-L397 PolarHBondContact O-N 3.19Å
394W93.4Very high90.6Very high11 Ų1155.4 Ų55.44%0.04229%0.291CS..Hα-helixtrans-62.3-43.4174.9-172.5-113.3000112.4W321 I322 I355 H358 E359 I362 L390 T391 Q392 L397 K398W321-W394 HydrophobicContact CE3-CZ3 4.41Å; W321-W394 HydrophobicContact CZ3-CH2 4.3Å; W321-W394 AromaticContact CZ3-CZ3 3.73Å; W321-W394 HydrophobicContact CZ3-CZ3 3.73Å; I322-W394 HydrophobicContact CD1-CB 4.46Å; I322-W394 HydrophobicContact CD1-CE3 3.95Å; I322-W394 HydrophobicContact CG1-CE3 4.02Å; I322-W394 HydrophobicContact CG1-CZ3 4.39Å; I355-W394 HydrophobicContact CB-CH2 4.28Å; I355-W394 HydrophobicContact CG2-CH2 3.68Å; I355-W394 HydrophobicContact CG2-CZ2 3.73Å; I355-W394 HydrophobicContact CG2-CZ3 4.43Å; I355-W394 WeakPolarHBondContact O-CH2 3.5Å; I355-W394 VanDerWaalsContact O-CZ2 3.32Å; I355-W394 WeakPolarHBondContact O-CZ2 3.44Å; H358-W394 HydrophobicContact CB-CH2 3.73Å; H358-W394 HydrophobicContact CB-CZ3 4.27Å; E359-W394 HydrophobicContact CB-CZ2 3.79Å; E359-W394 HydrophobicContact CG-CZ2 4.38Å; E359-W394 PolarHBondContact OE1-NE1 3.33Å; I362-W394 HydrophobicContact CD1-CD2 4.44Å; I362-W394 HydrophobicContact CD1-CE3 3.89Å; I362-W394 HydrophobicContact CD1-CZ3 4.1Å; I362-W394 HydrophobicContact CG1-CD2 3.92Å; I362-W394 HydrophobicContact CG1-CE3 3.7Å; I362-W394 HydrophobicContact CG1-CH2 4.06Å; I362-W394 HydrophobicContact CG1-CZ2 4.3Å; I362-W394 HydrophobicContact CG1-CZ3 3.74Å; I362-W394 HydrophobicContact CG2-CD2 4.35Å; I362-W394 HydrophobicContact CG2-CG 4.22Å; L390-W394 WeakPolarHBondContact O-CB 3.4Å; L390-W394 PolarHBondContact O-N 3.09Å; T391-W394 PolarHBondContact O-N 3.46Å; Q392-W394 PolarHBondContact O-N 3.08Å; W394-L397 HydrophobicContact CZ3-CD2 4.38Å; W394-L397 PolarHBondContact O-N 3.42Å; W394-K398 PolarHBondContact O-N 3.38Å; W394-K398 VanDerWaalsContact O-N 3.14Å
395Q91.6Very high90.8Very high96 Ų9654.6 Ų54.645%0.44928%0.282SS..Hα-helixtrans-67.2-42.5176.4-17061.244.300111.8T391 Q392 L397 K398 D399T391-Q395 PolarHBondContact O-N 2.99Å; T391-Q395 VanDerWaalsContact O-N 3.07Å; Q392-Q395 PolarHBondContact O-N 3.2Å; Q395-L397 VanDerWaalsContact C-N 3.28Å; Q395-L397 PolarHBondContact O-N 3.35Å; Q395-K398 PolarHBondContact O-N 2.73Å; Q395-K398 VanDerWaalsContact O-N 3.13Å; Q395-D399 PolarHBondContact NE2-OD1 3.49Å; Q395-D399 WeakPolarHBondContact O-CB 3.36Å; Q395-D399 VanDerWaalsContact O-CG 3.29Å; Q395-D399 PolarHBondContact O-N 3.06Å
396E92.3Very high90.8Very high83 Ų8357 Ų5739%0.38828%0.281SS..Hα-helixtrans-57.6-39.5175.7-71.6173.6-170.300112.1Q392 K393 A400Q392-E396 WeakPolarHBondContact CG-OE1 3.18Å; Q392-E396 PolarHBondContact NE2-OE1 3.4Å; Q392-E396 WeakPolarHBondContact O-CG 3.39Å; Q392-E396 PolarHBondContact O-N 2.89Å; K393-E396 PolarHBondContact O-N 3.48Å; E396-A400 VanDerWaalsContact O-CB 3.3Å; E396-A400 WeakPolarHBondContact O-CB 3.25Å; E396-A400 PolarHBondContact O-N 3.38Å
397L91.8Very high90.7Very high0 Ų058.4 Ų58.40%029%0.287CS..Hα-helixtrans-66.8-41.3175.2-179.362.4000112.6W321 I322 K325 L326 A329 I355 K393 W394 Q395 I401W321-L397 HydrophobicContact CZ3-CD2 3.87Å; I322-L397 HydrophobicContact CB-CD2 4.48Å; I322-L397 HydrophobicContact CG1-CD2 4.25Å; I322-L397 HydrophobicContact CG2-CB 4.16Å; I322-L397 HydrophobicContact CG2-CD2 4.15Å; K325-L397 HydrophobicContact CB-CD1 4.04Å; K325-L397 HydrophobicContact CB-CD2 4.24Å; L326-L397 HydrophobicContact CB-CD1 4.31Å; L326-L397 HydrophobicContact CD1-CB 4.26Å; L326-L397 HydrophobicContact CD1-CD1 4.05Å; A329-L397 HydrophobicContact CB-CD1 3.99Å; I355-L397 HydrophobicContact CD1-CD1 4.06Å; I355-L397 HydrophobicContact CD1-CD2 3.66Å; I355-L397 HydrophobicContact CD1-CG 3.72Å; I355-L397 HydrophobicContact CG1-CD2 3.88Å; I355-L397 HydrophobicContact CG1-CG 4.41Å; K393-L397 PolarHBondContact O-N 3.19Å; W394-L397 HydrophobicContact CZ3-CD2 4.38Å; W394-L397 PolarHBondContact O-N 3.42Å; Q395-L397 VanDerWaalsContact C-N 3.28Å; Q395-L397 PolarHBondContact O-N 3.35Å; L397-I401 PolarHBondContact O-N 3.42Å
398K90.8Very high90.7Very high53 Ų5357.9 Ų57.923%0.2328%0.284CS..Hα-helixtrans-64.8-46.3176-77.8-171.9159.1-166.10112I355 E359 W394 Q395 A400 I401 E402I355-K398 HydrophobicContact CG2-CG 4.2Å; E359-K398 WeakPolarHBondContact OE1-CE 3.46Å; E359-K398 IonicContact OE1-NZ 3.09Å; E359-K398 PolarHBondContact OE1-NZ 3.41Å; E359-K398 IonicContact OE2-NZ 3.85Å; E359-K398 PolarHBondContact OE2-NZ 3.42Å; W394-K398 PolarHBondContact O-N 3.38Å; W394-K398 VanDerWaalsContact O-N 3.14Å; Q395-K398 PolarHBondContact O-N 2.73Å; Q395-K398 VanDerWaalsContact O-N 3.13Å; K398-A400 VanDerWaalsContact C-N 3.33Å; K398-A400 PolarHBondContact O-N 3.42Å; K398-I401 PolarHBondContact O-N 3.33Å; K398-E402 PolarHBondContact O-N 2.96Å
399D91.5Very high90.6Very high87 Ų8756.7 Ų56.747%0.46527%0.271SS..Hα-helixtrans-63.7-38.5178.7-67.3-13.5000111.3Q395 E402 N403Q395-D399 PolarHBondContact NE2-OD1 3.49Å; Q395-D399 WeakPolarHBondContact O-CB 3.36Å; Q395-D399 VanDerWaalsContact O-CG 3.29Å; Q395-D399 PolarHBondContact O-N 3.06Å; D399-E402 PolarHBondContact O-N 2.98Å; D399-N403 WeakPolarHBondContact O-CB 3.38Å; D399-N403 PolarHBondContact O-N 3.13Å
400A91.1Very high90.4Very high8 Ų855.8 Ų55.87%0.06627%0.265CS..Hα-helixtrans-61.4-44.4174.800000112.6L326 A329 E396 K398 R404L326-A400 HydrophobicContact CD1-CB 4.27Å; A329-A400 HydrophobicContact CB-CB 3.85Å; E396-A400 VanDerWaalsContact O-CB 3.3Å; E396-A400 WeakPolarHBondContact O-CB 3.25Å; E396-A400 PolarHBondContact O-N 3.38Å; K398-A400 VanDerWaalsContact C-N 3.33Å; K398-A400 PolarHBondContact O-N 3.42Å; A400-R404 WeakPolarHBondContact O-CB 3.22Å; A400-R404 PolarHBondContact O-N 3.06Å
401I92.4Very high90.3Very high13 Ų1356.8 Ų56.87%0.06727%0.272CS..Hα-helixtrans-67.5-37.1177.2-73.6-168.8000112.4A329 L351 A352 I355 L397 K398 R404 R405A329-I401 HydrophobicContact CB-CD1 4.34Å; A329-I401 HydrophobicContact CB-CG1 3.53Å; L351-I401 HydrophobicContact CB-CD1 4.35Å; L351-I401 HydrophobicContact CD2-CD1 3.6Å; L351-I401 HydrophobicContact CD2-CG1 4.23Å; L351-I401 HydrophobicContact CG-CD1 3.59Å; A352-I401 HydrophobicContact CB-CG2 4.13Å; I355-I401 HydrophobicContact CD1-CD1 3.14Å; I355-I401 HydrophobicContact CD1-CG1 4.34Å; L397-I401 PolarHBondContact O-N 3.42Å; K398-I401 PolarHBondContact O-N 3.33Å; I401-R404 PolarHBondContact O-N 3.17Å; I401-R405 VanDerWaalsContact O-CB 3.31Å; I401-R405 WeakPolarHBondContact O-CB 3.38Å; I401-R405 PolarHBondContact O-N 3.45Å
402E90.1Very high90.2Very high95 Ų9555.1 Ų55.144%0.44426%0.259SS..Hα-helixtrans-69.4-40.3178.6-176.957-165.300111.5K398 D399 R405 K406K398-E402 PolarHBondContact O-N 2.96Å; D399-E402 PolarHBondContact O-N 2.98Å; E402-R405 WeakPolarHBondContact O-CB 3.43Å; E402-R405 PolarHBondContact O-N 2.81Å; E402-R405 IonicContact OE1-CZ 2.67Å; E402-R405 IonicContact OE1-NE 3.87Å; E402-R405 PolarHBondContact OE1-NE 3.16Å; E402-R405 IonicContact OE1-NH2 3.72Å; E402-R405 PolarHBondContact OE1-NH2 2.8Å; E402-R405 WeakPolarHBondContact OE2-CD 3.44Å; E402-R405 IonicContact OE2-CZ 2.65Å; E402-R405 IonicContact OE2-NE 2.76Å; E402-R405 PolarHBondContact OE2-NE 2.93Å; E402-R405 IonicContact OE2-NH2 2.91Å; E402-K406 PolarHBondContact O-N 3.26Å
403N89.4Confident90Very high96 Ų9656 Ų5651%0.51326%0.262SS..Hα-helixtrans-60.6-46.1169.2-100.1-20.1000111.8D399 R405 K406 H407D399-N403 WeakPolarHBondContact O-CB 3.38Å; D399-N403 PolarHBondContact O-N 3.13Å; N403-R405 VanDerWaalsContact C-N 3.31Å; N403-R405 PolarHBondContact O-N 3.38Å; N403-K406 WeakPolarHBondContact O-CB 3.44Å; N403-K406 PolarHBondContact O-N 3.1Å; N403-H407 PolarHBondContact O-N 3.13Å
404R90.7Very high89.9Confident18 Ų1854.1 Ų54.17%0.06825%0.254CS..Hα-helixtrans-63.1-36.6176.5-178.2163173.972.87.5112.1A329 S331 D333 Y334 N348 A400 I401 L408A329-R404 WeakPolarHBondContact O-CB 3.35Å; A329-R404 WeakPolarHBondContact O-CD 3.42Å; S331-R404 PolarHBondContact O-NH1 3.06Å; D333-R404 VanDerWaalsContact O-CZ 3.27Å; D333-R404 PolarHBondContact O-NH1 2.76Å; D333-R404 PolarHBondContact O-NH2 3.28Å; Y334-R404 HydrophobicContact CE1-CG 4.29Å; N348-R404 WeakPolarHBondContact OD1-CD 3.42Å; N348-R404 WeakPolarHBondContact OD1-CG 3.44Å; A400-R404 WeakPolarHBondContact O-CB 3.22Å; A400-R404 PolarHBondContact O-N 3.06Å; I401-R404 PolarHBondContact O-N 3.17Å; R404-L408 HydrophobicContact CG-CD1 3.93Å; R404-L408 HydrophobicContact CG-CG 4.45Å; R404-L408 WeakPolarHBondContact O-CB 3.17Å; R404-L408 WeakPolarHBondContact O-CD1 3.25Å; R404-L408 WeakPolarHBondContact O-CG 3.44Å; R404-L408 PolarHBondContact O-N 3.42Å
405R90.3Very high89.7Confident111 Ų11155.4 Ų55.442%0.41926%0.26SS..Hα-helixtrans-62.6-44.1173-169.9-170.373.281.13.5110.9I401 E402 N403 L408 L409I401-R405 VanDerWaalsContact O-CB 3.31Å; I401-R405 WeakPolarHBondContact O-CB 3.38Å; I401-R405 PolarHBondContact O-N 3.45Å; E402-R405 WeakPolarHBondContact O-CB 3.43Å; E402-R405 PolarHBondContact O-N 2.81Å; E402-R405 IonicContact OE1-CZ 2.67Å; E402-R405 IonicContact OE1-NE 3.87Å; E402-R405 PolarHBondContact OE1-NE 3.16Å; E402-R405 IonicContact OE1-NH2 3.72Å; E402-R405 PolarHBondContact OE1-NH2 2.8Å; E402-R405 WeakPolarHBondContact OE2-CD 3.44Å; E402-R405 IonicContact OE2-CZ 2.65Å; E402-R405 IonicContact OE2-NE 2.76Å; E402-R405 PolarHBondContact OE2-NE 2.93Å; E402-R405 IonicContact OE2-NH2 2.91Å; N403-R405 VanDerWaalsContact C-N 3.31Å; N403-R405 PolarHBondContact O-N 3.38Å; R405-L408 PolarHBondContact O-N 3.09Å; R405-L409 VanDerWaalsContact NH1-CD1 3.32Å; R405-L409 WeakPolarHBondContact O-CG 3.47Å; R405-L409 PolarHBondContact O-N 3.05Å
406K88.8Confident89.7Confident110 Ų11054 Ų5448%0.47825%0.254SS..Hα-helixtrans-61-51.7177-170-168.4177.5-145.20111.4E402 N403 L408 L409 E410E402-K406 PolarHBondContact O-N 3.26Å; N403-K406 WeakPolarHBondContact O-CB 3.44Å; N403-K406 PolarHBondContact O-N 3.1Å; K406-L408 VanDerWaalsContact C-N 3.34Å; K406-L408 PolarHBondContact O-N 3.45Å; K406-L409 WeakPolarHBondContact O-CB 3.49Å; K406-L409 PolarHBondContact O-N 3.13Å; K406-L409 VanDerWaalsContact O-N 3.09Å; K406-E410 WeakPolarHBondContact CE-OE1 3.37Å; K406-E410 IonicContact NZ-OE1 2.63Å; K406-E410 PolarHBondContact NZ-OE1 3.43Å; K406-E410 WeakPolarHBondContact O-CG 3.46Å; K406-E410 PolarHBondContact O-N 3.24Å
407H87Confident89.6Confident67 Ų6750.1 Ų50.131%0.3124%0.236SC..Hα-helixtrans-65.3-33178.3-71.3-44.1000113.5Y334 N403 L409 E410 S411Y334-H407 HydrophobicContact CD1-CB 3.85Å; Y334-H407 HydrophobicContact CD2-CB 4.23Å; Y334-H407 HydrophobicContact CE1-CB 3.58Å; Y334-H407 HydrophobicContact CE2-CB 3.98Å; Y334-H407 HydrophobicContact CG-CB 4.17Å; Y334-H407 AromaticContact CZ-CD2 3.83Å; Y334-H407 AromaticContact CZ-CG 3.98Å; Y334-H407 PolarHBondContact OH-CD2 3.41Å; N403-H407 PolarHBondContact O-N 3.13Å; H407-L409 VanDerWaalsContact C-N 3.34Å; H407-E410 IonicContact CE1-OE2 2.84Å; H407-E410 IonicContact CG-OE2 2.64Å; H407-E410 IonicContact ND1-OE2 3.12Å; H407-E410 PolarHBondContact ND1-OE2 3.48Å; H407-E410 PolarHBondContact O-N 3.36Å; H407-S411 VanDerWaalsContact O-CB 3.29Å; H407-S411 WeakPolarHBondContact O-CB 3.43Å; H407-S411 PolarHBondContact O-N 2.88Å
408L89.8Confident89.6Confident2 Ų252.9 Ų52.91%0.0125%0.248CC..Hα-helixtrans-66.2-33.6171.7-75.5166.8000112.6Y334 V341 L344 N348 R404 R405 K406 E412Y334-L408 HydrophobicContact CD1-CD2 4.27Å; Y334-L408 HydrophobicContact CD1-CG 4.2Å; V341-L408 HydrophobicContact CG1-CD2 4.31Å; V341-L408 WeakPolarHBondContact CG1-O 3.37Å; L344-L408 HydrophobicContact CB-CD2 3.73Å; L344-L408 HydrophobicContact CD1-CD2 4.46Å; N348-L408 HydrophobicContact CB-CD1 3.69Å; R404-L408 HydrophobicContact CG-CD1 3.93Å; R404-L408 HydrophobicContact CG-CG 4.45Å; R404-L408 WeakPolarHBondContact O-CB 3.17Å; R404-L408 WeakPolarHBondContact O-CD1 3.25Å; R404-L408 WeakPolarHBondContact O-CG 3.44Å; R404-L408 PolarHBondContact O-N 3.42Å; R405-L408 PolarHBondContact O-N 3.09Å; K406-L408 VanDerWaalsContact C-N 3.34Å; K406-L408 PolarHBondContact O-N 3.45Å; L408-E412 VanDerWaalsContact O-CB 3.28Å; L408-E412 WeakPolarHBondContact O-CB 3.47Å; L408-E412 PolarHBondContact O-N 3.19Å
409L88.8Confident89.6Confident52 Ų5255.8 Ų55.827%0.27226%0.26SS..Hα-helixtrans-72.9-36.7173.1-71172.6000112.6K345 R405 K406 H407 E412 K413K345-L409 HydrophobicContact CD-CD2 4.42Å; R405-L409 VanDerWaalsContact NH1-CD1 3.32Å; R405-L409 WeakPolarHBondContact O-CG 3.47Å; R405-L409 PolarHBondContact O-N 3.05Å; K406-L409 WeakPolarHBondContact O-CB 3.49Å; K406-L409 PolarHBondContact O-N 3.13Å; K406-L409 VanDerWaalsContact O-N 3.09Å; H407-L409 VanDerWaalsContact C-N 3.34Å; L409-E412 WeakPolarHBondContact CD2-OE2 3.43Å; L409-E412 PolarHBondContact O-N 3.07Å; L409-K413 WeakPolarHBondContact O-CG 3.23Å; L409-K413 PolarHBondContact O-N 3.07Å; L409-K413 VanDerWaalsContact O-N 3.16Å
410E85.8Confident89.6Confident47 Ų4754.4 Ų54.422%0.2225%0.253CS..Hα-helixtrans-64.4-46.6172.7-69.7162.6-179.900110.5K406 H407 E412 K413 V414K406-E410 WeakPolarHBondContact CE-OE1 3.37Å; K406-E410 IonicContact NZ-OE1 2.63Å; K406-E410 PolarHBondContact NZ-OE1 3.43Å; K406-E410 WeakPolarHBondContact O-CG 3.46Å; K406-E410 PolarHBondContact O-N 3.24Å; H407-E410 IonicContact CE1-OE2 2.84Å; H407-E410 IonicContact CG-OE2 2.64Å; H407-E410 IonicContact ND1-OE2 3.12Å; H407-E410 PolarHBondContact ND1-OE2 3.48Å; H407-E410 PolarHBondContact O-N 3.36Å; E410-E412 PolarHBondContact O-N 3.11Å; E410-K413 PolarHBondContact O-N 3.26Å; E410-V414 WeakPolarHBondContact O-CG2 3.48Å; E410-V414 PolarHBondContact O-N 3.01Å; E410-V414 VanDerWaalsContact O-N 3.09Å
411S87.8Confident89.7Confident20 Ų2054 Ų5414%0.1425%0.25CC..Hα-helixtrans-59.5-42.8174.1-172.40000112.2Y334 V341 H407 K413 V414 Q415Y334-S411 PolarHBondContact O-OG 3.11Å; V341-S411 WeakPolarHBondContact CG2-OG 3.43Å; H407-S411 VanDerWaalsContact O-CB 3.29Å; H407-S411 WeakPolarHBondContact O-CB 3.43Å; H407-S411 PolarHBondContact O-N 2.88Å; S411-K413 PolarHBondContact O-N 3.05Å; S411-V414 PolarHBondContact O-N 2.96Å; S411-Q415 WeakPolarHBondContact O-CB 3.48Å; S411-Q415 VanDerWaalsContact O-CG 3.29Å; S411-Q415 WeakPolarHBondContact O-CG 3.33Å; S411-Q415 PolarHBondContact O-N 3.18Å
412E88.5Confident89.7Confident33 Ų3358 Ų5815%0.15427%0.268CS..Hα-helixtrans-59.3-46.9177.7-179178.4-122.200111.6L338 V341 H342 K345 L408 L409 E410 V414 Q415 Q416L338-E412 HydrophobicContact CD1-CG 4.48Å; V341-E412 HydrophobicContact CG1-CB 3.86Å; H342-E412 IonicContact CE1-OE1 3.98Å; H342-E412 PolarHBondContact CE1-OE1 3.26Å; H342-E412 IonicContact ND1-OE1 2.64Å; H342-E412 PolarHBondContact ND1-OE1 2.86Å; K345-E412 WeakPolarHBondContact CD-OE1 3.42Å; K345-E412 IonicContact NZ-OE1 3.3Å; K345-E412 PolarHBondContact NZ-OE1 2.94Å; K345-E412 IonicContact NZ-OE2 2.75Å; K345-E412 PolarHBondContact NZ-OE2 3.24Å; L408-E412 VanDerWaalsContact O-CB 3.28Å; L408-E412 WeakPolarHBondContact O-CB 3.47Å; L408-E412 PolarHBondContact O-N 3.19Å; L409-E412 WeakPolarHBondContact CD2-OE2 3.43Å; L409-E412 PolarHBondContact O-N 3.07Å; E410-E412 PolarHBondContact O-N 3.11Å; E412-V414 PolarHBondContact O-N 3.1Å; E412-Q415 PolarHBondContact O-N 3.41Å; E412-Q416 WeakPolarHBondContact O-CB 3.43Å; E412-Q416 PolarHBondContact O-N 3.45Å
413K87.9Confident89.8Confident130 Ų13059.2 Ų59.257%0.56527%0.274SS*.Hα-helixtrans-61.3-44.1176.1-70.1177.3177.1-175.10112.2L409 E410 S411 Q416 Y417 F478L409-K413 WeakPolarHBondContact O-CG 3.23Å; L409-K413 PolarHBondContact O-N 3.07Å; L409-K413 VanDerWaalsContact O-N 3.16Å; E410-K413 PolarHBondContact O-N 3.26Å; S411-K413 PolarHBondContact O-N 3.05Å; K413-Q416 PolarHBondContact O-N 3.29Å; K413-Y417 PolarHBondContact O-N 3.44Å; K413-F478 HydrophobicContact CB-CE1 3.71Å; K413-F478 HydrophobicContact CB-CZ 3.71Å; K413-F478 WeakPolarHBondContact O-CZ 3.46Å
414V88.3Confident90Very high4 Ų454.6 Ų54.62%0.02425%0.249CC..Hα-helixtrans-65.7-43.6179.4170.70000111.1E410 S411 E412 Y417 F418 F478 I483 V489E410-V414 WeakPolarHBondContact O-CG2 3.48Å; E410-V414 PolarHBondContact O-N 3.01Å; E410-V414 VanDerWaalsContact O-N 3.09Å; S411-V414 PolarHBondContact O-N 2.96Å; E412-V414 PolarHBondContact O-N 3.1Å; V414-Y417 PolarHBondContact O-N 3.43Å; V414-F418 HydrophobicContact CG1-CD2 3.84Å; V414-F418 HydrophobicContact CG1-CE2 3.65Å; V414-F418 VanDerWaalsContact O-CD2 3.23Å; V414-F418 WeakPolarHBondContact O-CD2 3.48Å; V414-F418 PolarHBondContact O-N 3Å; V414-F478 HydrophobicContact CG2-CD1 3.86Å; V414-F478 HydrophobicContact CG2-CE1 3.63Å; V414-F478 HydrophobicContact CG2-CZ 4.15Å; V414-I483 HydrophobicContact CG2-CG2 4.4Å; V414-V489 HydrophobicContact CG1-CG2 4.13Å
415Q89.6Confident90.1Very high38 Ų3856.1 Ų56.118%0.17826%0.257CS..Hα-helixtrans-70.1-31.3178.3-67.4-64.1-27.100112.6N336 L338 V341 S411 E412 F418 F419N336-Q415 PolarHBondContact O-OE1 3.03Å; L338-Q415 HydrophobicContact CB-CB 4.3Å; L338-Q415 HydrophobicContact CD1-CB 4.46Å; V341-Q415 HydrophobicContact CG2-CB 4.24Å; V341-Q415 HydrophobicContact CG2-CG 3.72Å; S411-Q415 WeakPolarHBondContact O-CB 3.48Å; S411-Q415 VanDerWaalsContact O-CG 3.29Å; S411-Q415 WeakPolarHBondContact O-CG 3.33Å; S411-Q415 PolarHBondContact O-N 3.18Å; E412-Q415 PolarHBondContact O-N 3.41Å; Q415-F418 PolarHBondContact O-N 2.84Å; Q415-F419 PolarHBondContact O-N 3.16Å
416Q90.4Very high90.2Very high68 Ų6854.4 Ų54.432%0.31826%0.262SS..Hα-helixtrans-63.1-47.9169.7-171.766.657.600110.7L338 E412 K413 F418 F419 D420L338-Q416 HydrophobicContact CD1-CB 4.33Å; E412-Q416 WeakPolarHBondContact O-CB 3.43Å; E412-Q416 PolarHBondContact O-N 3.45Å; K413-Q416 PolarHBondContact O-N 3.29Å; Q416-F418 VanDerWaalsContact C-N 3.31Å; Q416-F418 PolarHBondContact O-N 3.49Å; Q416-F419 WeakPolarHBondContact O-CB 3.5Å; Q416-F419 PolarHBondContact O-N 3.17Å; Q416-D420 PolarHBondContact NE2-OD1 3.2Å; Q416-D420 PolarHBondContact O-N 2.93Å
417Y91.9Very high90.5Very high1 Ų151.9 Ų51.90%0.00425%0.25CC..Hα-helixtrans-56-44.2174.8171-89.5000112.2K413 V414 F419 D420 A421 L471 V474 A475 F478 V489 K492 Q493K413-Y417 PolarHBondContact O-N 3.44Å; V414-Y417 PolarHBondContact O-N 3.43Å; Y417-F419 VanDerWaalsContact C-N 3.3Å; Y417-F419 PolarHBondContact O-N 2.63Å; Y417-D420 PolarHBondContact O-N 3.12Å; Y417-A421 HydrophobicContact CE1-CB 4.18Å; Y417-A421 WeakPolarHBondContact O-CB 3.39Å; Y417-A421 PolarHBondContact O-N 2.98Å; Y417-L471 HydrophobicContact CD2-CD2 4.11Å; Y417-L471 HydrophobicContact CE2-CB 4.15Å; Y417-L471 HydrophobicContact CE2-CD2 4.11Å; Y417-V474 HydrophobicContact CD2-CB 4.5Å; Y417-V474 HydrophobicContact CD2-CG1 3.89Å; Y417-A475 HydrophobicContact CE2-CB 4.02Å; Y417-F478 HydrophobicContact CG-CE2 4.36Å; Y417-V489 HydrophobicContact CD1-CB 4.32Å; Y417-V489 HydrophobicContact CD1-CG1 3.83Å; Y417-V489 HydrophobicContact CD1-CG2 3.93Å; Y417-V489 HydrophobicContact CE1-CB 4.23Å; Y417-V489 HydrophobicContact CE1-CG1 3.69Å; Y417-V489 HydrophobicContact CE1-CG2 4.3Å; Y417-V489 HydrophobicContact CE2-CG1 4.45Å; Y417-V489 HydrophobicContact CG-CG1 4.31Å; Y417-K492 HydrophobicContact CE1-CB 4.33Å; Y417-K492 HydrophobicContact CE1-CG 4.33Å; Y417-Q493 VanDerWaalsContact OH-CA 3.31Å; Y417-Q493 WeakPolarHBondContact OH-CA 3.42Å; Y417-Q493 WeakPolarHBondContact OH-CB 3.37Å; Y417-Q493 PolarHBondContact OH-N 3.48Å; Y417-Q493 PolarHBondContact OH-OE1 3.01Å
418F90.6Very high90.8Very high58 Ų5848.9 Ų48.925%0.25424%0.236SC..Hα-helixtrans-65.6-31.8177.2-80.9-66.7000113.4V414 Q415 Q416 Q422 A488 V489 K492V414-F418 HydrophobicContact CG1-CD2 3.84Å; V414-F418 HydrophobicContact CG1-CE2 3.65Å; V414-F418 VanDerWaalsContact O-CD2 3.23Å; V414-F418 WeakPolarHBondContact O-CD2 3.48Å; V414-F418 PolarHBondContact O-N 3Å; Q415-F418 PolarHBondContact O-N 2.84Å; Q416-F418 VanDerWaalsContact C-N 3.31Å; Q416-F418 PolarHBondContact O-N 3.49Å; F418-Q422 WeakPolarHBondContact O-CB 3.46Å; F418-Q422 PolarHBondContact O-N 3.27Å; F418-Q422 VanDerWaalsContact O-N 3.12Å; F418-A488 HydrophobicContact CZ-CB 4.05Å; F418-V489 HydrophobicContact CE2-CG2 3.9Å; F418-V489 HydrophobicContact CZ-CG2 4.03Å; F418-K492 HydrophobicContact CD1-CB 4.49Å; F418-K492 HydrophobicContact CD1-CG 4.15Å; F418-K492 HydrophobicContact CE1-CB 3.89Å; F418-K492 HydrophobicContact CE1-CG 4.05Å
419F90.7Very high90.8Very high114 Ų11451.4 Ų51.450%0.525%0.254SS..Hα-helixtrans-67.5-53.3173-179.9-88.1000111L338 Q415 Q416 Y417 A421 Q422 E423L338-F419 HydrophobicContact CD2-CB 4.46Å; L338-F419 HydrophobicContact CD2-CG 4.42Å; Q415-F419 PolarHBondContact O-N 3.16Å; Q416-F419 WeakPolarHBondContact O-CB 3.5Å; Q416-F419 PolarHBondContact O-N 3.17Å; Y417-F419 VanDerWaalsContact C-N 3.3Å; Y417-F419 PolarHBondContact O-N 2.63Å; F419-A421 VanDerWaalsContact C-N 3.29Å; F419-A421 PolarHBondContact O-N 2.91Å; F419-Q422 WeakPolarHBondContact O-CB 3.26Å; F419-Q422 PolarHBondContact O-N 3.42Å; F419-E423 PolarHBondContact O-N 2.93Å
420D92.4Very high90.9Very high57 Ų5753.2 Ų53.231%0.30526%0.26SS..Hα-helixtrans-61.8-38.2-179.6-53.7-17.7000111.2Q416 Y417 Q422 E423 A424 L471Q416-D420 PolarHBondContact NE2-OD1 3.2Å; Q416-D420 PolarHBondContact O-N 2.93Å; Y417-D420 PolarHBondContact O-N 3.12Å; D420-Q422 VanDerWaalsContact C-N 3.34Å; D420-Q422 PolarHBondContact O-N 3.41Å; D420-E423 PolarHBondContact O-N 3.1Å; D420-A424 PolarHBondContact O-N 2.94Å; D420-L471 HydrophobicContact CB-CD2 3.73Å
421A92.9Very high91.2Very high0 Ų051.8 Ų51.80%025%0.254CS..Hα-helixtrans-63.5-36.6173.100000112.7Y417 F419 E425 K492 L496Y417-A421 HydrophobicContact CE1-CB 4.18Å; Y417-A421 WeakPolarHBondContact O-CB 3.39Å; Y417-A421 PolarHBondContact O-N 2.98Å; F419-A421 VanDerWaalsContact C-N 3.29Å; F419-A421 PolarHBondContact O-N 2.91Å; A421-E425 WeakPolarHBondContact O-CB 3.34Å; A421-E425 PolarHBondContact O-N 3.12Å; A421-K492 HydrophobicContact CB-CG 4.08Å; A421-L496 HydrophobicContact CB-CD1 3.78Å; A421-L496 WeakPolarHBondContact O-CD2 3.21Å
422Q92.1Very high91.2Very high97 Ų9754.8 Ų54.845%0.45327%0.266SS..Hα-helixtrans-74.2-33.9177.9-163.860.653.600111.9F418 F419 D420 E425 S426F418-Q422 WeakPolarHBondContact O-CB 3.46Å; F418-Q422 PolarHBondContact O-N 3.27Å; F418-Q422 VanDerWaalsContact O-N 3.12Å; F419-Q422 WeakPolarHBondContact O-CB 3.26Å; F419-Q422 PolarHBondContact O-N 3.42Å; D420-Q422 VanDerWaalsContact C-N 3.34Å; D420-Q422 PolarHBondContact O-N 3.41Å; Q422-E425 PolarHBondContact NE2-OE2 3.24Å; Q422-E425 PolarHBondContact OE1-OE2 2.9Å; Q422-S426 WeakPolarHBondContact O-CB 3.36Å; Q422-S426 PolarHBondContact O-N 2.88Å
423E93.2Very high91.2Very high120 Ų12058.7 Ų58.756%0.56129%0.287SS*.Hα-helixtrans-63.4-45.1171-171.2173.4-18000110.8F419 D420 S426 W427F419-E423 PolarHBondContact O-N 2.93Å; D420-E423 PolarHBondContact O-N 3.1Å; E423-S426 PolarHBondContact O-N 3.06Å; E423-W427 WeakPolarHBondContact O-CB 3.46Å; E423-W427 PolarHBondContact O-N 3.38Å
424A93.6Very high91.1Very high0 Ų057.9 Ų57.90%028%0.281CS..Hα-helixtrans-62.2-42.6174.800000113.4D420 W427 M428 Y464 I468 L471 L496D420-A424 PolarHBondContact O-N 2.94Å; A424-W427 PolarHBondContact O-N 3.44Å; A424-M428 WeakPolarHBondContact O-CB 3.4Å; A424-M428 WeakPolarHBondContact O-CG 3.49Å; A424-M428 PolarHBondContact O-N 2.9Å; A424-Y464 WeakPolarHBondContact CA-OH 3.38Å; A424-Y464 HydrophobicContact CB-CE1 4.1Å; A424-I468 HydrophobicContact CB-CD1 4.29Å; A424-L471 HydrophobicContact CB-CD1 3.87Å; A424-L496 HydrophobicContact CB-CD2 4.34Å
425E92.6Very high91Very high50 Ų5057.8 Ų57.823%0.23428%0.28CS..Hα-helixtrans-63.1-42.5174.9-177.5174.8-163.700112A421 Q422 M428 S429 K492 L496 L499A421-E425 WeakPolarHBondContact O-CB 3.34Å; A421-E425 PolarHBondContact O-N 3.12Å; Q422-E425 PolarHBondContact NE2-OE2 3.24Å; Q422-E425 PolarHBondContact OE1-OE2 2.9Å; E425-M428 PolarHBondContact O-N 3.49Å; E425-S429 WeakPolarHBondContact O-CB 3.33Å; E425-S429 PolarHBondContact O-N 3.21Å; E425-S429 PolarHBondContact O-OG 3.26Å; E425-K492 IonicContact OE2-NZ 3.72Å; E425-K492 PolarHBondContact OE2-NZ 3.44Å; E425-L496 HydrophobicContact CB-CD2 3.99Å; E425-L499 HydrophobicContact CG-CD1 3.91Å
426S92.5Very high90.5Very high75 Ų7561.6 Ų61.652%0.52430%0.3SS..Hα-helixtrans-63.1-43.8176.4-169.40000111.5Q422 E423 S429 E430Q422-S426 WeakPolarHBondContact O-CB 3.36Å; Q422-S426 PolarHBondContact O-N 2.88Å; E423-S426 PolarHBondContact O-N 3.06Å; S426-S429 PolarHBondContact O-N 3.42Å; S426-E430 PolarHBondContact O-N 3.36Å; S426-E430 VanDerWaalsContact O-N 3.09Å
427W94.5Very high90Very high57 Ų5762.2 Ų62.222%0.21631%0.308CS..Hα-helixtrans-64.1-45.5178.3-179.185.1000112E423 A424 S429 E430 Q431 V461 Y464 L503E423-W427 WeakPolarHBondContact O-CB 3.46Å; E423-W427 PolarHBondContact O-N 3.38Å; A424-W427 PolarHBondContact O-N 3.44Å; W427-S429 PolarHBondContact O-N 3.39Å; W427-E430 PolarHBondContact O-N 3.4Å; W427-Q431 HydrophobicContact CD2-CG 4.02Å; W427-Q431 HydrophobicContact CE3-CG 4.1Å; W427-Q431 HydrophobicContact CH2-CG 3.69Å; W427-Q431 HydrophobicContact CZ2-CG 3.61Å; W427-Q431 HydrophobicContact CZ3-CG 3.93Å; W427-Q431 WeakPolarHBondContact O-CG 3.46Å; W427-Q431 PolarHBondContact O-N 3.04Å; W427-Q431 PolarHBondContact O-NE2 2.92Å; W427-V461 HydrophobicContact CH2-CG2 4.21Å; W427-Y464 HydrophobicContact CD2-CD1 4.45Å; W427-Y464 AromaticContact CD2-CD2 3.92Å; W427-Y464 HydrophobicContact CD2-CD2 3.92Å; W427-Y464 HydrophobicContact CD2-CE1 4.32Å; W427-Y464 AromaticContact CD2-CE2 3.76Å; W427-Y464 HydrophobicContact CD2-CE2 3.76Å; W427-Y464 HydrophobicContact CD2-CG 4.27Å; W427-Y464 AromaticContact CD2-CZ 3.97Å; W427-Y464 AromaticContact CE2-CD2 3.96Å; W427-Y464 AromaticContact CE3-CD1 3.6Å; W427-Y464 HydrophobicContact CE3-CD1 3.6Å; W427-Y464 AromaticContact CE3-CD2 3.82Å; W427-Y464 HydrophobicContact CE3-CD2 3.82Å; W427-Y464 AromaticContact CE3-CE1 3.66Å; W427-Y464 HydrophobicContact CE3-CE1 3.66Å; W427-Y464 AromaticContact CE3-CE2 3.88Å; W427-Y464 HydrophobicContact CE3-CE2 3.88Å; W427-Y464 AromaticContact CE3-CG 3.68Å; W427-Y464 HydrophobicContact CE3-CG 3.68Å; W427-Y464 AromaticContact CE3-CZ 3.8Å; W427-Y464 HydrophobicContact CG-CE2 4.15Å; W427-Y464 HydrophobicContact CH2-CD1 4.26Å; W427-Y464 AromaticContact CH2-CD2 3.85Å; W427-Y464 HydrophobicContact CH2-CD2 3.85Å; W427-Y464 AromaticContact CH2-CG 3.63Å; W427-Y464 HydrophobicContact CH2-CG 3.63Å; W427-Y464 AromaticContact CZ2-CD2 3.94Å; W427-Y464 HydrophobicContact CZ2-CD2 3.94Å; W427-Y464 HydrophobicContact CZ2-CG 4.2Å; W427-Y464 AromaticContact CZ3-CD1 3.49Å; W427-Y464 HydrophobicContact CZ3-CD1 3.49Å; W427-Y464 VanDerWaalsContact CZ3-CD1 3.49Å; W427-Y464 AromaticContact CZ3-CD2 3.8Å; W427-Y464 HydrophobicContact CZ3-CD2 3.8Å; W427-Y464 HydrophobicContact CZ3-CE1 4.07Å; W427-Y464 HydrophobicContact CZ3-CE2 4.34Å; W427-Y464 AromaticContact CZ3-CG 3.34Å; W427-Y464 HydrophobicContact CZ3-CG 3.34Å; W427-L503 HydrophobicContact CZ3-CD2 4.49Å
428M93Very high89.2Confident4 Ų469.2 Ų69.22%0.0234%0.341CS..Hα-helixtrans-63.3-40.2176.9-72.6-173.1-66.800112A424 E425 E430 Q431 E432 I468 L496 L499 Y500 L503A424-M428 WeakPolarHBondContact O-CB 3.4Å; A424-M428 WeakPolarHBondContact O-CG 3.49Å; A424-M428 PolarHBondContact O-N 2.9Å; E425-M428 PolarHBondContact O-N 3.49Å; M428-E430 VanDerWaalsContact C-N 3.3Å; M428-E430 PolarHBondContact O-N 3.44Å; M428-Q431 PolarHBondContact O-N 2.87Å; M428-E432 WeakPolarHBondContact O-CB 3.46Å; M428-E432 PolarHBondContact O-N 3.18Å; M428-I468 HydrophobicContact CE-CD1 4.1Å; M428-I468 HydrophobicContact SD-CD1 4.11Å; M428-L496 HydrophobicContact CE-CB 4.33Å; M428-L496 HydrophobicContact CE-CD2 3.57Å; M428-L499 HydrophobicContact CE-CB 3.9Å; M428-L499 HydrophobicContact CE-CD1 4.38Å; M428-L499 HydrophobicContact SD-CB 4.24Å; M428-Y500 HydrophobicContact SD-CD2 4.04Å; M428-Y500 HydrophobicContact SD-CG 4.43Å; M428-L503 HydrophobicContact CB-CD2 4.2Å; M428-L503 HydrophobicContact CG-CD2 4.12Å
429S89.9Confident88.8Confident55 Ų5570.5 Ų70.539%0.38535%0.35SS..Hα-helixtrans-63.3-35.1176.5-55.20000112.4E425 S426 W427 L433E425-S429 WeakPolarHBondContact O-CB 3.33Å; E425-S429 PolarHBondContact O-N 3.21Å; E425-S429 PolarHBondContact O-OG 3.26Å; S426-S429 PolarHBondContact O-N 3.42Å; W427-S429 PolarHBondContact O-N 3.39Å; S429-L433 PolarHBondContact O-N 3.05Å
430E90.4Very high88.5Confident89 Ų8969.1 Ų69.142%0.41634%0.342SS..Hα-helixtrans-68.7-42.2173.7-167.7-173.7173.400111.5S426 W427 M428 L433 Y434S426-E430 PolarHBondContact O-N 3.36Å; S426-E430 VanDerWaalsContact O-N 3.09Å; W427-E430 PolarHBondContact O-N 3.4Å; M428-E430 VanDerWaalsContact C-N 3.3Å; M428-E430 PolarHBondContact O-N 3.44Å; E430-L433 WeakPolarHBondContact O-CB 2.95Å; E430-L433 PolarHBondContact O-N 2.9Å; E430-Y434 HydrophobicContact CG-CD2 4.42Å; E430-Y434 HydrophobicContact CG-CE2 3.76Å; E430-Y434 WeakPolarHBondContact O-CD2 3.28Å; E430-Y434 PolarHBondContact O-N 3.17Å; E430-Y434 VanDerWaalsContact O-N 3.17Å; E430-Y434 PolarHBondContact OE1-OH 2.67Å; E430-Y434 VanDerWaalsContact OE1-OH 3.08Å
431Q91.8Very high88.1Confident17 Ų1767.2 Ų67.28%0.07934%0.335CS..Hα-helixtrans-66.3-38.4176.6-58.4-31.4-69.300111.9W427 M428 L433 Y434 M435 L457 L503W427-Q431 HydrophobicContact CD2-CG 4.02Å; W427-Q431 HydrophobicContact CE3-CG 4.1Å; W427-Q431 HydrophobicContact CH2-CG 3.69Å; W427-Q431 HydrophobicContact CZ2-CG 3.61Å; W427-Q431 HydrophobicContact CZ3-CG 3.93Å; W427-Q431 WeakPolarHBondContact O-CG 3.46Å; W427-Q431 PolarHBondContact O-N 3.04Å; W427-Q431 PolarHBondContact O-NE2 2.92Å; M428-Q431 PolarHBondContact O-N 2.87Å; Q431-L433 VanDerWaalsContact C-N 3.35Å; Q431-L433 PolarHBondContact O-N 3.31Å; Q431-Y434 PolarHBondContact O-N 3.48Å; Q431-M435 WeakPolarHBondContact O-CG 3.37Å; Q431-M435 PolarHBondContact O-N 3.23Å; Q431-L457 VanDerWaalsContact OE1-CD1 3.26Å; Q431-L503 HydrophobicContact CB-CD1 4.04Å; Q431-L503 HydrophobicContact CB-CD2 3.94Å
432E89.1Confident87.8Confident84 Ų8476.2 Ų76.239%0.39337%0.374SS..Hα-helixtrans-56.9-48.3173.5-172.3-179.7-178.100110.6M428 Y434 M435 M436 L503 L506M428-E432 WeakPolarHBondContact O-CB 3.46Å; M428-E432 PolarHBondContact O-N 3.18Å; E432-Y434 VanDerWaalsContact C-N 3.31Å; E432-Y434 PolarHBondContact O-N 3.48Å; E432-M435 CarbonylContact O-C 3.39Å; E432-M435 WeakPolarHBondContact O-CA 3.34Å; E432-M435 PolarHBondContact O-N 3.48Å; E432-M436 WeakPolarHBondContact O-CG 3.46Å; E432-M436 PolarHBondContact O-N 3.32Å; E432-L503 HydrophobicContact CB-CD1 4.15Å; E432-L506 HydrophobicContact CG-CD2 3.86Å
433L88.4Confident87.5Confident114 Ų11475.4 Ų75.460%0.59737%0.373SS*.Hα-helixtrans-57.8-40.2176.6-177.565000112.6S429 E430 Q431 M435 M436S429-L433 PolarHBondContact O-N 3.05Å; E430-L433 WeakPolarHBondContact O-CB 2.95Å; E430-L433 PolarHBondContact O-N 2.9Å; Q431-L433 VanDerWaalsContact C-N 3.35Å; Q431-L433 PolarHBondContact O-N 3.31Å; L433-M435 VanDerWaalsContact C-N 3.31Å; L433-M435 PolarHBondContact O-N 3.2Å; L433-M436 PolarHBondContact O-N 2.97Å
434Y85.1Confident87.4Confident114 Ų11472.1 Ų72.145%0.44736%0.358SS..Hα-helixtrans-68.2-28.7174.7-66.5-44000113.6E430 Q431 E432 R510E430-Y434 HydrophobicContact CG-CD2 4.42Å; E430-Y434 HydrophobicContact CG-CE2 3.76Å; E430-Y434 WeakPolarHBondContact O-CD2 3.28Å; E430-Y434 PolarHBondContact O-N 3.17Å; E430-Y434 VanDerWaalsContact O-N 3.17Å; E430-Y434 PolarHBondContact OE1-OH 2.67Å; E430-Y434 VanDerWaalsContact OE1-OH 3.08Å; Q431-Y434 PolarHBondContact O-N 3.48Å; E432-Y434 VanDerWaalsContact C-N 3.31Å; E432-Y434 PolarHBondContact O-N 3.48Å; Y434-R510 PolarHBondContact O-NH1 3.41Å; Y434-R510 PolarHBondContact O-NH2 3.45Å
435M85.5Confident87.2Confident1 Ų177.5 Ų77.51%0.00539%0.385CS..Hα-helixtrans-81.5-26.3176.6-68.5-168-178.300113.6Q431 E432 L433 V437 L457 V461 L503 L506 A507 R510Q431-M435 WeakPolarHBondContact O-CG 3.37Å; Q431-M435 PolarHBondContact O-N 3.23Å; E432-M435 CarbonylContact O-C 3.39Å; E432-M435 WeakPolarHBondContact O-CA 3.34Å; E432-M435 PolarHBondContact O-N 3.48Å; L433-M435 VanDerWaalsContact C-N 3.31Å; L433-M435 PolarHBondContact O-N 3.2Å; M435-V437 PolarHBondContact O-N 3.08Å; M435-L457 HydrophobicContact CE-CD2 3.7Å; M435-L457 HydrophobicContact CE-CG 3.7Å; M435-L457 HydrophobicContact CG-CD2 3.65Å; M435-V461 HydrophobicContact CE-CG2 3.83Å; M435-L503 HydrophobicContact CE-CD1 4.39Å; M435-L503 HydrophobicContact SD-CD1 3.8Å; M435-L506 HydrophobicContact CB-CD2 3.64Å; M435-L506 HydrophobicContact CB-CG 3.91Å; M435-A507 HydrophobicContact CE-CB 3.64Å; M435-A507 VanDerWaalsContact SD-CA 3.58Å; M435-A507 HydrophobicContact SD-CB 3.62Å; M435-R510 WeakPolarHBondContact O-CD 3.45Å
436M79.6Confident87Confident119 Ų11976.7 Ų76.759%0.58639%0.385SS*.SBendtrans-67.9-11.6175-70.3-172.480.200114.6E432 L433 E438 L506E432-M436 WeakPolarHBondContact O-CG 3.46Å; E432-M436 PolarHBondContact O-N 3.32Å; L433-M436 PolarHBondContact O-N 2.97Å; M436-E438 PolarHBondContact O-N 3.03Å; M436-L506 HydrophobicContact CG-CD2 4.48Å
437V80.1Confident87Confident81 Ų8173.1 Ų73.149%0.49136%0.36SS..  trans-75.4106.3179.7-178.70000110.9M435 D439 R510M435-V437 PolarHBondContact O-N 3.08Å; V437-D439 HydrophobicContact CG1-CB 4.33Å; V437-D439 PolarHBondContact O-N 3.37Å; V437-R510 PolarHBondContact O-NH2 2.9Å
438E75.3Confident86.8Confident148 Ų14875.9 Ų75.969%0.69238%0.375SS*.  trans-79.541-177.2-51.4-162.1135.500114.7M436 R440 R513M436-E438 PolarHBondContact O-N 3.03Å; E438-R440 PolarHBondContact O-N 3.1Å; E438-R513 IonicContact OE1-CZ 3.5Å; E438-R513 IonicContact OE1-NH1 3.49Å; E438-R513 PolarHBondContact OE1-NH1 2.78Å
439D82.4Confident86.7Confident84 Ų8479.7 Ų79.745%0.44940%0.396SS..  trans-76.7118.4172-169.4-1.2000110.1V437 G441 L450 L514V437-D439 HydrophobicContact CG1-CB 4.33Å; V437-D439 PolarHBondContact O-N 3.37Å; D439-G441 PolarHBondContact OD1-N 3.33Å; D439-L450 HydrophobicContact CB-CD1 4.22Å; D439-L514 WeakPolarHBondContact O-CD2 3.42Å
440R83.3Confident86.7Confident86 Ų8678.5 Ų78.533%0.32539%0.385SS..  trans-93.6-5.5176.2-71.4-175.3170.8-150.1-7.6113.2E438 A517 S591 D592E438-R440 PolarHBondContact O-N 3.1Å; R440-A517 HydrophobicContact CB-CB 3.94Å; R440-A517 HydrophobicContact CG-CB 4.27Å; R440-S591 PolarHBondContact NH1-OG 3.36Å; R440-S591 PolarHBondContact NH2-OG 3.26Å; R440-D592 IonicContact NH1-OD1 2.74Å; R440-D592 IonicContact NH1-OD2 2.68Å; R440-D592 PolarHBondContact NH1-OD2 3.03Å
441G84.4Confident86.8Confident16 Ų1675.1 Ų75.117%0.16537%0.37CS..  trans79.4176.6-166.300000112.5D439 L450D439-G441 PolarHBondContact OD1-N 3.33Å; G441-L450 VanDerWaalsContact N-CD1 3.29Å
442K86.1Confident86.8Confident189 Ų18980.7 Ų80.782%0.82239%0.394SS*.SBendtrans-118.5-13.2-179.7-62.9-176.6-179.1-179.80113.6S446 F521K442-S446 PolarHBondContact N-OG 3.2Å; K442-F521 VanDerWaalsContact C-CZ 3.48Å
443D87.8Confident86.8Confident80 Ų8083.5 Ų83.543%0.42840%0.404SS..SBendtrans-156.8168.2-175.753.438.8000109.4I445 S446 A447D443-I445 PolarHBondContact O-N 3.35Å; D443-I445 PolarHBondContact OD1-N 3.28Å; D443-S446 PolarHBondContact N-OG 3.29Å; D443-S446 VanDerWaalsContact N-OG 3.08Å; D443-S446 PolarHBondContact O-N 3.09Å; D443-S446 PolarHBondContact O-OG 3.29Å; D443-S446 VanDerWaalsContact O-OG 3.04Å; D443-S446 WeakPolarHBondContact OD1-CA 3.28Å; D443-S446 WeakPolarHBondContact OD1-CB 3.48Å; D443-S446 PolarHBondContact OD1-N 3.08Å; D443-S446 PolarHBondContact OD1-OG 3.48Å; D443-A447 WeakPolarHBondContact O-CB 3.44Å; D443-A447 PolarHBondContact O-N 2.62Å
444E89.7Confident87Confident52 Ų5278.1 Ų78.124%0.24338%0.376CS..Hα-helixtrans-52.3-41.2179.9-172.2-176.6176.800112.2Q448 L518 F521 M522 R525E444-Q448 VanDerWaalsContact O-CB 3.23Å; E444-Q448 WeakPolarHBondContact O-CB 3.41Å; E444-Q448 PolarHBondContact O-N 2.71Å; E444-L518 HydrophobicContact CG-CD1 4.04Å; E444-F521 HydrophobicContact CB-CB 4.02Å; E444-M522 HydrophobicContact CG-CG 4.1Å; E444-R525 IonicContact OE1-NH1 3.62Å; E444-R525 PolarHBondContact OE1-NH1 3.37Å; E444-R525 IonicContact OE2-CZ 3.38Å; E444-R525 IonicContact OE2-NH1 2.74Å; E444-R525 PolarHBondContact OE2-NH1 3.2Å
445I89.3Confident87.4Confident113 Ų11377 Ų7758%0.57938%0.375SS*.Hα-helixtrans-71-42.6-175.7-60.8174.4000111.2D443 N449D443-I445 PolarHBondContact O-N 3.35Å; D443-I445 PolarHBondContact OD1-N 3.28Å; I445-N449 WeakPolarHBondContact O-CB 3.27Å; I445-N449 VanDerWaalsContact O-CG 3.32Å; I445-N449 PolarHBondContact O-N 2.95Å; I445-N449 PolarHBondContact O-ND2 2.96Å
446S89.6Confident87.6Confident33 Ų3381.9 Ų81.923%0.23140%0.401CS..Hα-helixtrans-71.2-39.9177.654.40000111.7K442 D443 N449 L450K442-S446 PolarHBondContact N-OG 3.2Å; D443-S446 PolarHBondContact N-OG 3.29Å; D443-S446 VanDerWaalsContact N-OG 3.08Å; D443-S446 PolarHBondContact O-N 3.09Å; D443-S446 PolarHBondContact O-OG 3.29Å; D443-S446 VanDerWaalsContact O-OG 3.04Å; D443-S446 WeakPolarHBondContact OD1-CA 3.28Å; D443-S446 WeakPolarHBondContact OD1-CB 3.48Å; D443-S446 PolarHBondContact OD1-N 3.08Å; D443-S446 PolarHBondContact OD1-OG 3.48Å; S446-N449 PolarHBondContact O-N 3.47Å; S446-L450 WeakPolarHBondContact O-CB 3.34Å; S446-L450 WeakPolarHBondContact O-CG 3.46Å; S446-L450 PolarHBondContact O-N 3.42Å
447A91.6Very high88.1Confident0 Ų077.4 Ų77.40%038%0.38CS..Hα-helixtrans-60.1-46.4171.400000111.5D443 N449 L450 M451 L518 F521D443-A447 WeakPolarHBondContact O-CB 3.44Å; D443-A447 PolarHBondContact O-N 2.62Å; A447-N449 PolarHBondContact O-N 3.48Å; A447-L450 PolarHBondContact O-N 2.82Å; A447-M451 WeakPolarHBondContact O-CB 3.39Å; A447-M451 PolarHBondContact O-N 3.31Å; A447-L518 HydrophobicContact CB-CB 4.43Å; A447-L518 HydrophobicContact CB-CD1 4.28Å; A447-F521 HydrophobicContact CB-CD2 3.82Å; A447-F521 HydrophobicContact CB-CE2 4.1Å
448Q90.3Very high88.7Confident114 Ų11475.7 Ų75.753%0.53337%0.366SS..Hα-helixtrans-63-39.4176.3-169.3-178.738.600112.4E444 M451 K452 L518E444-Q448 VanDerWaalsContact O-CB 3.23Å; E444-Q448 WeakPolarHBondContact O-CB 3.41Å; E444-Q448 PolarHBondContact O-N 2.71Å; Q448-M451 PolarHBondContact O-N 3.12Å; Q448-K452 WeakPolarHBondContact O-CB 3.5Å; Q448-K452 PolarHBondContact O-N 2.99Å; Q448-L518 HydrophobicContact CB-CD1 4.08Å
449N90.6Very high89.6Confident84 Ų8473.8 Ų73.845%0.44936%0.357SS..Hα-helixtrans-67.7-35.8175-80.7-56000112.7I445 S446 A447 K453I445-N449 WeakPolarHBondContact O-CB 3.27Å; I445-N449 VanDerWaalsContact O-CG 3.32Å; I445-N449 PolarHBondContact O-N 2.95Å; I445-N449 PolarHBondContact O-ND2 2.96Å; S446-N449 PolarHBondContact O-N 3.47Å; A447-N449 PolarHBondContact O-N 3.48Å; N449-K453 VanDerWaalsContact O-CG 3.3Å; N449-K453 WeakPolarHBondContact O-CG 3.47Å; N449-K453 PolarHBondContact O-N 2.97Å
450L90.8Very high90Very high31 Ų3172.3 Ų72.316%0.16235%0.354CS..Hα-helixtrans-68.7-42.9173.5-74.4167000111.2D439 G441 S446 A447 K452 K453 H454 L514D439-L450 HydrophobicContact CB-CD1 4.22Å; G441-L450 VanDerWaalsContact N-CD1 3.29Å; S446-L450 WeakPolarHBondContact O-CB 3.34Å; S446-L450 WeakPolarHBondContact O-CG 3.46Å; S446-L450 PolarHBondContact O-N 3.42Å; A447-L450 PolarHBondContact O-N 2.82Å; L450-K452 PolarHBondContact O-N 2.97Å; L450-K453 WeakPolarHBondContact O-CB 3.42Å; L450-K453 PolarHBondContact O-N 3.25Å; L450-H454 WeakPolarHBondContact O-CB 3.47Å; L450-H454 PolarHBondContact O-N 3.19Å; L450-L514 HydrophobicContact CB-CD2 3.93Å
451M91.6Very high90.4Very high18 Ų1868.4 Ų68.49%0.08934%0.339CS..Hα-helixtrans-57.4-48.5173.2-169.763.3-111.500110.9A447 Q448 K453 H454 E455 R511 L514A447-M451 WeakPolarHBondContact O-CB 3.39Å; A447-M451 PolarHBondContact O-N 3.31Å; Q448-M451 PolarHBondContact O-N 3.12Å; M451-K453 VanDerWaalsContact C-N 3.33Å; M451-K453 PolarHBondContact O-N 3.15Å; M451-H454 HydrophobicContact CE-CB 4.21Å; M451-H454 CarbonylContact O-C 3.59Å; M451-H454 WeakPolarHBondContact O-CA 3.46Å; M451-H454 WeakPolarHBondContact O-CB 3.39Å; M451-H454 PolarHBondContact O-N 3.2Å; M451-E455 HydrophobicContact CE-CG 3.83Å; M451-E455 WeakPolarHBondContact O-CG 3.32Å; M451-E455 PolarHBondContact O-N 3.49Å; M451-R511 HydrophobicContact CE-CB 4.3Å; M451-R511 HydrophobicContact CE-CG 3.84Å; M451-R511 HydrophobicContact SD-CG 4.44Å; M451-L514 HydrophobicContact SD-CB 3.75Å; M451-L514 HydrophobicContact SD-CD1 4.46Å
452K91.5Very high90.8Very high134 Ų13471.6 Ų71.658%0.58335%0.35SS*.Hα-helixtrans-63.2-34.2176.8-172174.1-176.8175.80113.9Q448 L450 N456Q448-K452 WeakPolarHBondContact O-CB 3.5Å; Q448-K452 PolarHBondContact O-N 2.99Å; L450-K452 PolarHBondContact O-N 2.97Å; K452-N456 PolarHBondContact O-N 3.09Å; K452-N456 PolarHBondContact O-ND2 2.83Å
453K90.3Very high91Very high142 Ų14266.9 Ų66.962%0.61733%0.334SS*.Hα-helixtrans-67-39.5171.5-75.5171.2-178.1178.60111.3N449 L450 M451 N456 L457N449-K453 VanDerWaalsContact O-CG 3.3Å; N449-K453 WeakPolarHBondContact O-CG 3.47Å; N449-K453 PolarHBondContact O-N 2.97Å; L450-K453 WeakPolarHBondContact O-CB 3.42Å; L450-K453 PolarHBondContact O-N 3.25Å; M451-K453 VanDerWaalsContact C-N 3.33Å; M451-K453 PolarHBondContact O-N 3.15Å; K453-N456 PolarHBondContact O-N 3.13Å; K453-L457 PolarHBondContact O-N 2.91Å
454H92.8Very high91.3Very high2 Ų265 Ų651%0.00932%0.321CS..Hα-helixtrans-66.9-39.3176.7-172.773.1000112.2L450 M451 N456 L457 E458 A507 R510 L514L450-H454 WeakPolarHBondContact O-CB 3.47Å; L450-H454 PolarHBondContact O-N 3.19Å; M451-H454 HydrophobicContact CE-CB 4.21Å; M451-H454 CarbonylContact O-C 3.59Å; M451-H454 WeakPolarHBondContact O-CA 3.46Å; M451-H454 WeakPolarHBondContact O-CB 3.39Å; M451-H454 PolarHBondContact O-N 3.2Å; H454-N456 VanDerWaalsContact C-N 3.31Å; H454-N456 PolarHBondContact O-N 3.12Å; H454-L457 CarbonylContact O-C 3.57Å; H454-L457 WeakPolarHBondContact O-CB 3.5Å; H454-L457 PolarHBondContact O-N 3.33Å; H454-E458 WeakPolarHBondContact O-CB 3.1Å; H454-E458 PolarHBondContact O-N 3.11Å; H454-A507 PolarHBondContact CE1-O 3.02Å; H454-A507 PolarHBondContact NE2-O 3.08Å; H454-R510 WeakPolarHBondContact ND1-CD 3.5Å; H454-L514 HydrophobicContact CB-CD1 3.71Å
455E92.2Very high91.4Very high89 Ų8964 Ų6442%0.41632%0.321SS..Hα-helixtrans-57.5-41.6173.7-71.5175.3153.400112.2M451 L457 Q459M451-E455 HydrophobicContact CE-CG 3.83Å; M451-E455 WeakPolarHBondContact O-CG 3.32Å; M451-E455 PolarHBondContact O-N 3.49Å; E455-L457 VanDerWaalsContact C-N 3.33Å; E455-L457 PolarHBondContact O-N 3.03Å; E455-Q459 WeakPolarHBondContact O-CB 3.49Å; E455-Q459 PolarHBondContact O-N 3.35Å
456N91.1Very high91.5Very high104 Ų10462.6 Ų62.656%0.55632%0.315SS*.Hα-helixtrans-66.3-35.2175.2-64.6-28.4000112.5K452 K453 H454 S460K452-N456 PolarHBondContact O-N 3.09Å; K452-N456 PolarHBondContact O-ND2 2.83Å; K453-N456 PolarHBondContact O-N 3.13Å; H454-N456 VanDerWaalsContact C-N 3.31Å; H454-N456 PolarHBondContact O-N 3.12Å; N456-S460 PolarHBondContact O-N 3.45Å; N456-S460 PolarHBondContact O-OG 3.32Å
457L90.6Very high91.5Very high26 Ų2663.3 Ų63.314%0.13632%0.318CS..Hα-helixtrans-71.8-44.3177.9-17268.5000111Q431 M435 K453 H454 E455 S460 V461Q431-L457 VanDerWaalsContact OE1-CD1 3.26Å; M435-L457 HydrophobicContact CE-CD2 3.7Å; M435-L457 HydrophobicContact CE-CG 3.7Å; M435-L457 HydrophobicContact CG-CD2 3.65Å; K453-L457 PolarHBondContact O-N 2.91Å; H454-L457 CarbonylContact O-C 3.57Å; H454-L457 WeakPolarHBondContact O-CB 3.5Å; H454-L457 PolarHBondContact O-N 3.33Å; E455-L457 VanDerWaalsContact C-N 3.33Å; E455-L457 PolarHBondContact O-N 3.03Å; L457-S460 WeakPolarHBondContact O-CB 3.28Å; L457-S460 PolarHBondContact O-N 3.15Å; L457-S460 VanDerWaalsContact O-N 3.13Å; L457-V461 WeakPolarHBondContact O-CG2 3.08Å; L457-V461 PolarHBondContact O-N 3.37Å
458E92.5Very high91.6Very high45 Ų4563.7 Ų63.721%0.2132%0.32CS..Hα-helixtrans-59.5-44.1173.9-172179.9-171.700111H454 S460 V461 E462 R511H454-E458 WeakPolarHBondContact O-CB 3.1Å; H454-E458 PolarHBondContact O-N 3.11Å; E458-S460 VanDerWaalsContact C-N 3.34Å; E458-S460 PolarHBondContact O-N 3.4Å; E458-V461 PolarHBondContact O-N 3.29Å; E458-E462 PolarHBondContact O-N 2.7Å; E458-R511 IonicContact OE1-CZ 3.06Å; E458-R511 IonicContact OE1-NH1 3.53Å; E458-R511 PolarHBondContact OE1-NH1 2.78Å; E458-R511 WeakPolarHBondContact OE2-CD 3.33Å; E458-R511 IonicContact OE2-CZ 3.19Å; E458-R511 IonicContact OE2-NE 3.61Å; E458-R511 IonicContact OE2-NH1 2.78Å; E458-R511 PolarHBondContact OE2-NH1 3.36Å
459Q92.5Very high91.7Very high107 Ų10764.1 Ų64.150%0.532%0.317SS..Hα-helixtrans-61.2-41172.6-174.163.652.400112E455 V461 E462 D463E455-Q459 WeakPolarHBondContact O-CB 3.49Å; E455-Q459 PolarHBondContact O-N 3.35Å; Q459-V461 VanDerWaalsContact C-N 3.29Å; Q459-V461 PolarHBondContact O-N 3.23Å; Q459-E462 PolarHBondContact O-N 3.49Å; Q459-D463 PolarHBondContact NE2-OD1 2.76Å; Q459-D463 WeakPolarHBondContact O-CB 3.43Å; Q459-D463 VanDerWaalsContact O-CG 3.24Å; Q459-D463 PolarHBondContact O-N 3.02Å
460S90.8Very high91.7Very high54 Ų5465.3 Ų65.338%0.37832%0.32SS..Hα-helixtrans-63.7-35.3177.4-57.20000112N456 L457 E458 Y464N456-S460 PolarHBondContact O-N 3.45Å; N456-S460 PolarHBondContact O-OG 3.32Å; L457-S460 WeakPolarHBondContact O-CB 3.28Å; L457-S460 PolarHBondContact O-N 3.15Å; L457-S460 VanDerWaalsContact O-N 3.13Å; E458-S460 VanDerWaalsContact C-N 3.34Å; E458-S460 PolarHBondContact O-N 3.4Å; S460-Y464 WeakPolarHBondContact O-CB 3.41Å; S460-Y464 PolarHBondContact O-N 2.87Å
461V92.9Very high91.8Very high3 Ų364.5 Ų64.52%0.01832%0.315CS..Hα-helixtrans-70.4-40.5172.7174.60000111.8W427 M435 L457 E458 Q459 Y464 A465 Y500 L503W427-V461 HydrophobicContact CH2-CG2 4.21Å; M435-V461 HydrophobicContact CE-CG2 3.83Å; L457-V461 WeakPolarHBondContact O-CG2 3.08Å; L457-V461 PolarHBondContact O-N 3.37Å; E458-V461 PolarHBondContact O-N 3.29Å; Q459-V461 VanDerWaalsContact C-N 3.29Å; Q459-V461 PolarHBondContact O-N 3.23Å; V461-Y464 PolarHBondContact O-N 2.75Å; V461-A465 PolarHBondContact O-N 2.71Å; V461-Y500 HydrophobicContact CG1-CE2 3.85Å; V461-Y500 VanDerWaalsContact O-CE2 3.26Å; V461-Y500 WeakPolarHBondContact O-CE2 3.44Å; V461-Y500 PolarHBondContact O-OH 2.93Å; V461-L503 HydrophobicContact CG1-CD2 4.03Å; V461-L503 HydrophobicContact CG1-CG 4.14Å; V461-L503 HydrophobicContact CG2-CD2 3.84Å; V461-L503 HydrophobicContact CG2-CG 4.15Å
462E92.3Very high91.7Very high84 Ų8464 Ų6439%0.39332%0.316SS..Hα-helixtrans-66.4-41.8176.4-16168.2-165.700111.9E458 Q459 Y464 A465 K504E458-E462 PolarHBondContact O-N 2.7Å; Q459-E462 PolarHBondContact O-N 3.49Å; E462-Y464 VanDerWaalsContact C-N 3.27Å; E462-Y464 PolarHBondContact O-N 3.44Å; E462-A465 WeakPolarHBondContact O-CB 3.49Å; E462-A465 PolarHBondContact O-N 2.8Å; E462-A465 VanDerWaalsContact O-N 3.08Å; E462-K504 IonicContact OE1-NZ 2.77Å; E462-K504 PolarHBondContact OE1-NZ 3.45Å; E462-K504 WeakPolarHBondContact OE2-CE 3.29Å; E462-K504 IonicContact OE2-NZ 3.97Å; E462-K504 PolarHBondContact OE2-NZ 3.13Å
463D91.3Very high91.6Very high90 Ų9061.4 Ų61.448%0.48131%0.305SS..Hα-helixtrans-61.3-37.4177.3-71.3-17.3000111.4Q459 A465 N466Q459-D463 PolarHBondContact NE2-OD1 2.76Å; Q459-D463 WeakPolarHBondContact O-CB 3.43Å; Q459-D463 VanDerWaalsContact O-CG 3.24Å; Q459-D463 PolarHBondContact O-N 3.02Å; D463-A465 PolarHBondContact O-N 2.62Å; D463-N466 PolarHBondContact O-N 2.97Å; D463-N466 PolarHBondContact O-ND2 2.76Å; D463-N466 VanDerWaalsContact O-ND2 3.1Å
464Y92.9Very high91.5Very high40 Ų4057.1 Ų57.116%0.15729%0.291CS..Hα-helixtrans-68.4-13.3177.2-151.5-95.1000114.1A424 W427 S460 V461 E462 N466 T467 I468A424-Y464 WeakPolarHBondContact CA-OH 3.38Å; A424-Y464 HydrophobicContact CB-CE1 4.1Å; W427-Y464 HydrophobicContact CD2-CD1 4.45Å; W427-Y464 AromaticContact CD2-CD2 3.92Å; W427-Y464 HydrophobicContact CD2-CD2 3.92Å; W427-Y464 HydrophobicContact CD2-CE1 4.32Å; W427-Y464 AromaticContact CD2-CE2 3.76Å; W427-Y464 HydrophobicContact CD2-CE2 3.76Å; W427-Y464 HydrophobicContact CD2-CG 4.27Å; W427-Y464 AromaticContact CD2-CZ 3.97Å; W427-Y464 AromaticContact CE2-CD2 3.96Å; W427-Y464 AromaticContact CE3-CD1 3.6Å; W427-Y464 HydrophobicContact CE3-CD1 3.6Å; W427-Y464 AromaticContact CE3-CD2 3.82Å; W427-Y464 HydrophobicContact CE3-CD2 3.82Å; W427-Y464 AromaticContact CE3-CE1 3.66Å; W427-Y464 HydrophobicContact CE3-CE1 3.66Å; W427-Y464 AromaticContact CE3-CE2 3.88Å; W427-Y464 HydrophobicContact CE3-CE2 3.88Å; W427-Y464 AromaticContact CE3-CG 3.68Å; W427-Y464 HydrophobicContact CE3-CG 3.68Å; W427-Y464 AromaticContact CE3-CZ 3.8Å; W427-Y464 HydrophobicContact CG-CE2 4.15Å; W427-Y464 HydrophobicContact CH2-CD1 4.26Å; W427-Y464 AromaticContact CH2-CD2 3.85Å; W427-Y464 HydrophobicContact CH2-CD2 3.85Å; W427-Y464 AromaticContact CH2-CG 3.63Å; W427-Y464 HydrophobicContact CH2-CG 3.63Å; W427-Y464 AromaticContact CZ2-CD2 3.94Å; W427-Y464 HydrophobicContact CZ2-CD2 3.94Å; W427-Y464 HydrophobicContact CZ2-CG 4.2Å; W427-Y464 AromaticContact CZ3-CD1 3.49Å; W427-Y464 HydrophobicContact CZ3-CD1 3.49Å; W427-Y464 VanDerWaalsContact CZ3-CD1 3.49Å; W427-Y464 AromaticContact CZ3-CD2 3.8Å; W427-Y464 HydrophobicContact CZ3-CD2 3.8Å; W427-Y464 HydrophobicContact CZ3-CE1 4.07Å; W427-Y464 HydrophobicContact CZ3-CE2 4.34Å; W427-Y464 AromaticContact CZ3-CG 3.34Å; W427-Y464 HydrophobicContact CZ3-CG 3.34Å; S460-Y464 WeakPolarHBondContact O-CB 3.41Å; S460-Y464 PolarHBondContact O-N 2.87Å; V461-Y464 PolarHBondContact O-N 2.75Å; E462-Y464 VanDerWaalsContact C-N 3.27Å; E462-Y464 PolarHBondContact O-N 3.44Å; Y464-N466 PolarHBondContact O-N 2.7Å; Y464-N466 VanDerWaalsContact O-N 3.12Å; Y464-T467 HydrophobicContact CE1-CG2 4.03Å; Y464-T467 HydrophobicContact CE2-CG2 4.24Å; Y464-T467 WeakPolarHBondContact O-CB 3.27Å; Y464-T467 PolarHBondContact O-N 2.91Å; Y464-I468 HydrophobicContact CD1-CD1 4.19Å; Y464-I468 HydrophobicContact CD1-CG1 4.06Å; Y464-I468 HydrophobicContact CE1-CD1 3.99Å; Y464-I468 HydrophobicContact CE1-CG1 4.34Å; Y464-I468 PolarHBondContact O-N 3.12Å
465A91.9Very high91.2Very high30 Ų3057.3 Ų57.325%0.24829%0.293CS..Hα-helixtrans-53.4-33170.900000111.9V461 E462 D463 I468 R469 Y500V461-A465 PolarHBondContact O-N 2.71Å; E462-A465 WeakPolarHBondContact O-CB 3.49Å; E462-A465 PolarHBondContact O-N 2.8Å; E462-A465 VanDerWaalsContact O-N 3.08Å; D463-A465 PolarHBondContact O-N 2.62Å; A465-I468 PolarHBondContact O-N 3.31Å; A465-R469 VanDerWaalsContact O-CB 3.23Å; A465-R469 WeakPolarHBondContact O-CB 3.45Å; A465-R469 PolarHBondContact O-N 3.26Å; A465-Y500 HydrophobicContact CB-CE1 4.33Å; A465-Y500 WeakPolarHBondContact CB-OH 3.38Å
466N90.7Very high90.9Very high84 Ų8460.5 Ų60.545%0.44930%0.301SS..Hα-helixtrans-64.5-38.5177.5-69.3-66.1000112.5D463 Y464 R469 Q470D463-N466 PolarHBondContact O-N 2.97Å; D463-N466 PolarHBondContact O-ND2 2.76Å; D463-N466 VanDerWaalsContact O-ND2 3.1Å; Y464-N466 PolarHBondContact O-N 2.7Å; Y464-N466 VanDerWaalsContact O-N 3.12Å; N466-R469 PolarHBondContact O-N 3.08Å; N466-Q470 WeakPolarHBondContact O-CB 3.49Å; N466-Q470 VanDerWaalsContact O-CG 3.27Å; N466-Q470 WeakPolarHBondContact O-CG 3.29Å; N466-Q470 PolarHBondContact O-N 2.98Å
467T91.4Very high90.6Very high48 Ų4861.8 Ų61.829%0.29430%0.304SS..Hα-helixtrans-66.5-48.2177.2-47.20000110.6Y464 R469 Q470 L471Y464-T467 HydrophobicContact CE1-CG2 4.03Å; Y464-T467 HydrophobicContact CE2-CG2 4.24Å; Y464-T467 WeakPolarHBondContact O-CB 3.27Å; Y464-T467 PolarHBondContact O-N 2.91Å; T467-R469 VanDerWaalsContact C-N 3.3Å; T467-R469 PolarHBondContact O-N 3.49Å; T467-Q470 PolarHBondContact O-N 3.1Å; T467-L471 WeakPolarHBondContact O-CG 3.48Å; T467-L471 PolarHBondContact O-N 3.47Å
468I92.6Very high90.1Very high9 Ų961.1 Ų61.15%0.04630%0.3CS..Hα-helixtrans-60.7-40.3175.8-57.3-59.1000110.9A424 M428 Y464 A465 L471 G472 Q493 Y500A424-I468 HydrophobicContact CB-CD1 4.29Å; M428-I468 HydrophobicContact CE-CD1 4.1Å; M428-I468 HydrophobicContact SD-CD1 4.11Å; Y464-I468 HydrophobicContact CD1-CD1 4.19Å; Y464-I468 HydrophobicContact CD1-CG1 4.06Å; Y464-I468 HydrophobicContact CE1-CD1 3.99Å; Y464-I468 HydrophobicContact CE1-CG1 4.34Å; Y464-I468 PolarHBondContact O-N 3.12Å; A465-I468 PolarHBondContact O-N 3.31Å; I468-L471 PolarHBondContact O-N 3.29Å; I468-G472 PolarHBondContact O-N 2.86Å; I468-Q493 PolarHBondContact O-NE2 2.83Å; I468-Y500 HydrophobicContact CG1-CD2 3.91Å; I468-Y500 HydrophobicContact CG1-CG 4.12Å
469R92Very high89Confident122 Ų12262.8 Ų62.846%0.4632%0.316SS..Hα-helixtrans-64.3-40.2176.3-167.5-176.673.272.414.1112.6A465 N466 T467 G472 E473A465-R469 VanDerWaalsContact O-CB 3.23Å; A465-R469 WeakPolarHBondContact O-CB 3.45Å; A465-R469 PolarHBondContact O-N 3.26Å; N466-R469 PolarHBondContact O-N 3.08Å; T467-R469 VanDerWaalsContact C-N 3.3Å; T467-R469 PolarHBondContact O-N 3.49Å; R469-G472 PolarHBondContact O-N 3.44Å; R469-E473 IonicContact CZ-OE1 2.78Å; R469-E473 IonicContact NH1-OE1 2.86Å; R469-E473 PolarHBondContact NH1-OE1 3.4Å; R469-E473 IonicContact NH1-OE2 3.45Å; R469-E473 WeakPolarHBondContact O-CG 3.35Å; R469-E473 PolarHBondContact O-N 3.21Å
470Q91.8Very high87.7Confident110 Ų11060.9 Ų60.951%0.51433%0.326SS..Hα-helixtrans-66.2-45.7175.1-75171.916.600111.4N466 T467 G472 E473 V474N466-Q470 WeakPolarHBondContact O-CB 3.49Å; N466-Q470 VanDerWaalsContact O-CG 3.27Å; N466-Q470 WeakPolarHBondContact O-CG 3.29Å; N466-Q470 PolarHBondContact O-N 2.98Å; T467-Q470 PolarHBondContact O-N 3.1Å; Q470-G472 VanDerWaalsContact C-N 3.28Å; Q470-G472 PolarHBondContact O-N 3.37Å; Q470-E473 WeakPolarHBondContact O-CB 3.38Å; Q470-E473 PolarHBondContact O-N 2.91Å; Q470-E473 VanDerWaalsContact O-N 3.1Å; Q470-V474 WeakPolarHBondContact O-CG2 3.38Å; Q470-V474 PolarHBondContact O-N 3.41Å
471L91.7Very high86.3Confident13 Ų1363.2 Ų63.27%0.06833%0.334CS..Hα-helixtrans-57.3-42.3172.4-71.7172.5000111.3Y417 D420 A424 T467 I468 E473 V474 A475 Q493 L496Y417-L471 HydrophobicContact CD2-CD2 4.11Å; Y417-L471 HydrophobicContact CE2-CB 4.15Å; Y417-L471 HydrophobicContact CE2-CD2 4.11Å; D420-L471 HydrophobicContact CB-CD2 3.73Å; A424-L471 HydrophobicContact CB-CD1 3.87Å; T467-L471 WeakPolarHBondContact O-CG 3.48Å; T467-L471 PolarHBondContact O-N 3.47Å; I468-L471 PolarHBondContact O-N 3.29Å; L471-E473 PolarHBondContact O-N 3.47Å; L471-V474 PolarHBondContact O-N 2.91Å; L471-A475 WeakPolarHBondContact O-CB 3.37Å; L471-A475 PolarHBondContact O-N 3.06Å; L471-Q493 VanDerWaalsContact C-OE1 3.29Å; L471-Q493 PolarHBondContact O-OE1 2.99Å; L471-L496 HydrophobicContact CD1-CD1 4.08Å
472G90.4Very high84.6Confident9 Ų971.7 Ų71.79%0.09338%0.379CS..Hα-helixtrans-68.8-27.3175.100000114.7I468 R469 Q470 R476I468-G472 PolarHBondContact O-N 2.86Å; R469-G472 PolarHBondContact O-N 3.44Å; Q470-G472 VanDerWaalsContact C-N 3.28Å; Q470-G472 PolarHBondContact O-N 3.37Å; G472-R476 WeakPolarHBondContact O-CG 3.47Å; G472-R476 PolarHBondContact O-N 3.22Å; G472-R476 PolarHBondContact O-NE 3.15Å
473E89.4Confident83.3Confident78 Ų7869.2 Ų69.236%0.36437%0.368SS..Hα-helixtrans-70.6-44.2168.9-76.4175174.600111.5R469 Q470 L471 R476 Q477R469-E473 IonicContact CZ-OE1 2.78Å; R469-E473 IonicContact NH1-OE1 2.86Å; R469-E473 PolarHBondContact NH1-OE1 3.4Å; R469-E473 IonicContact NH1-OE2 3.45Å; R469-E473 WeakPolarHBondContact O-CG 3.35Å; R469-E473 PolarHBondContact O-N 3.21Å; Q470-E473 WeakPolarHBondContact O-CB 3.38Å; Q470-E473 PolarHBondContact O-N 2.91Å; Q470-E473 VanDerWaalsContact O-N 3.1Å; L471-E473 PolarHBondContact O-N 3.47Å; E473-R476 PolarHBondContact O-N 2.99Å; E473-Q477 WeakPolarHBondContact O-CG 3.43Å; E473-Q477 PolarHBondContact O-N 3.11Å
474V87.4Confident82.1Confident53 Ų5371.2 Ų71.232%0.32139%0.389SS..Hα-helixtrans-62.1-46175168.60000111Y417 Q470 L471 R476 Q477 F478Y417-V474 HydrophobicContact CD2-CB 4.5Å; Y417-V474 HydrophobicContact CD2-CG1 3.89Å; Q470-V474 WeakPolarHBondContact O-CG2 3.38Å; Q470-V474 PolarHBondContact O-N 3.41Å; L471-V474 PolarHBondContact O-N 2.91Å; V474-R476 VanDerWaalsContact C-N 3.3Å; V474-R476 PolarHBondContact O-N 3.25Å; V474-Q477 WeakPolarHBondContact O-CB 3.39Å; V474-Q477 PolarHBondContact O-N 3.47Å; V474-Q477 VanDerWaalsContact O-N 3.09Å; V474-F478 HydrophobicContact CG1-CD2 4.25Å; V474-F478 HydrophobicContact CG1-CE2 3.54Å; V474-F478 HydrophobicContact CG1-CZ 4.33Å; V474-F478 WeakPolarHBondContact O-CD2 3.09Å; V474-F478 PolarHBondContact O-N 3.02Å
475A87.8Confident81Confident5 Ų571.7 Ų71.74%0.04140%0.398CS..Hα-helixtrans-56.5-41.2175.400000112.7Y417 L471 Q477 F478 S479 V489 Q493Y417-A475 HydrophobicContact CE2-CB 4.02Å; L471-A475 WeakPolarHBondContact O-CB 3.37Å; L471-A475 PolarHBondContact O-N 3.06Å; A475-Q477 VanDerWaalsContact C-N 3.35Å; A475-Q477 PolarHBondContact O-N 3.44Å; A475-F478 PolarHBondContact O-N 2.67Å; A475-S479 PolarHBondContact O-N 2.96Å; A475-S479 PolarHBondContact O-OG 3.3Å; A475-V489 HydrophobicContact CB-CG1 3.75Å; A475-Q493 HydrophobicContact CB-CB 4.04Å; A475-Q493 HydrophobicContact CB-CG 4.1Å
476R85.9Confident80.4Confident156 Ų15670.6 Ų70.659%0.58939%0.39SS*.Hα-helixtrans-68.4-28.8177.2-80.7175.9-72.2-168-0.2113.6G472 E473 V474 S479 G480G472-R476 WeakPolarHBondContact O-CG 3.47Å; G472-R476 PolarHBondContact O-N 3.22Å; G472-R476 PolarHBondContact O-NE 3.15Å; E473-R476 PolarHBondContact O-N 2.99Å; V474-R476 VanDerWaalsContact C-N 3.3Å; V474-R476 PolarHBondContact O-N 3.25Å; R476-S479 PolarHBondContact O-N 3.28Å; R476-G480 PolarHBondContact O-N 2.94Å
477Q83.1Confident79.9Confident131 Ų13173.2 Ų73.261%0.61240%0.404SS*.Hα-helixtrans-64.4-42.8173.8-67.4171.32100110.7E473 V474 A475 S479 G480 D481E473-Q477 WeakPolarHBondContact O-CG 3.43Å; E473-Q477 PolarHBondContact O-N 3.11Å; V474-Q477 WeakPolarHBondContact O-CB 3.39Å; V474-Q477 PolarHBondContact O-N 3.47Å; V474-Q477 VanDerWaalsContact O-N 3.09Å; A475-Q477 VanDerWaalsContact C-N 3.35Å; A475-Q477 PolarHBondContact O-N 3.44Å; Q477-S479 PolarHBondContact O-N 3.06Å; Q477-G480 PolarHBondContact O-N 2.82Å; Q477-G480 VanDerWaalsContact O-N 3.1Å; Q477-D481 PolarHBondContact O-N 2.63Å
478F80Confident79.6Confident13 Ų1373.5 Ų73.56%0.05741%0.411CS..THydrogen-bonded Turntrans-68-12.4174.4-59.5-68.1000114.8K413 V414 Y417 V474 A475 I483 V489K413-F478 HydrophobicContact CB-CE1 3.71Å; K413-F478 HydrophobicContact CB-CZ 3.71Å; K413-F478 WeakPolarHBondContact O-CZ 3.46Å; V414-F478 HydrophobicContact CG2-CD1 3.86Å; V414-F478 HydrophobicContact CG2-CE1 3.63Å; V414-F478 HydrophobicContact CG2-CZ 4.15Å; Y417-F478 HydrophobicContact CG-CE2 4.36Å; V474-F478 HydrophobicContact CG1-CD2 4.25Å; V474-F478 HydrophobicContact CG1-CE2 3.54Å; V474-F478 HydrophobicContact CG1-CZ 4.33Å; V474-F478 WeakPolarHBondContact O-CD2 3.09Å; V474-F478 PolarHBondContact O-N 3.02Å; A475-F478 PolarHBondContact O-N 2.67Å; F478-I483 HydrophobicContact CD1-CD1 3.93Å; F478-V489 HydrophobicContact CB-CG1 4.41Å; F478-V489 HydrophobicContact CD2-CG1 3.92Å
479S69.5Low79.4Confident79 Ų7973 Ų7355%0.55241%0.409SS*.THydrogen-bonded Turntrans-90.2-12.8172.8-480000113.3A475 R476 Q477A475-S479 PolarHBondContact O-N 2.96Å; A475-S479 PolarHBondContact O-OG 3.3Å; R476-S479 PolarHBondContact O-N 3.28Å; Q477-S479 PolarHBondContact O-N 3.06Å
480G65.3Low79.2Confident68 Ų6869.3 Ų69.370%0.70140%0.404SS*.THydrogen-bonded Turntrans-96.5-29.8178.600000113.7R476 Q477R476-G480 PolarHBondContact O-N 2.94Å; Q477-G480 PolarHBondContact O-N 2.82Å; Q477-G480 VanDerWaalsContact O-N 3.1Å
481D61.1Low79.1Confident102 Ų10268.2 Ų68.255%0.54540%0.404SS..THydrogen-bonded Turntrans-86.3142.1168.3-67.8-28000109.5Q477 I483Q477-D481 PolarHBondContact O-N 2.63Å; D481-I483 HydrophobicContact CB-CD1 3.57Å; D481-I483 HydrophobicContact CB-CG1 3.76Å; D481-I483 PolarHBondContact O-N 2.81Å
482D57.7Low79.1Confident181 Ų18168.7 Ų68.797%0.96841%0.406SS*.THydrogen-bonded Turntrans-76.157.8-174.5-154.19.6000111.9
483I65.1Low79.2Confident32 Ų3268.9 Ų68.916%0.16441%0.405CS..  trans-97.6121.5-170.4-62.9171.3000109.6V414 F478 D481 S485 G486V414-I483 HydrophobicContact CG2-CG2 4.4Å; F478-I483 HydrophobicContact CD1-CD1 3.93Å; D481-I483 HydrophobicContact CB-CD1 3.57Å; D481-I483 HydrophobicContact CB-CG1 3.76Å; D481-I483 PolarHBondContact O-N 2.81Å; I483-S485 PolarHBondContact O-N 2.99Å; I483-G486 PolarHBondContact O-N 2.86Å
484S66.9Low79.3Confident132 Ų13267.6 Ų67.692%0.92340%0.404SS*.THydrogen-bonded Turntrans-50.3-21.4-178.5-166.60000115.8
485S70.4Confident79.6Confident50 Ų5069.5 Ų69.535%0.3541%0.409SS..THydrogen-bonded Turntrans-97.7-0.4-179.9-53.70000115I483 D487 A488 V489I483-S485 PolarHBondContact O-N 2.99Å; S485-D487 PolarHBondContact O-N 3.2Å; S485-A488 PolarHBondContact O-N 3.15Å; S485-V489 PolarHBondContact O-N 3.01Å
486G77.6Confident79.9Confident7 Ų769.3 Ų69.37%0.07241%0.408CS..Hα-helixtrans-58.2-41.7-173.900000114I483 A488 V489 A490I483-G486 PolarHBondContact O-N 2.86Å; G486-A488 PolarHBondContact O-N 2.87Å; G486-V489 WeakPolarHBondContact O-CB 3.4Å; G486-V489 PolarHBondContact O-N 3.42Å; G486-A490 PolarHBondContact O-N 3.28Å
487D80.8Confident80.3Confident140 Ų14065.4 Ų65.475%0.74940%0.398SS*.Hα-helixtrans-61.5-40.7177.7-75.4-15.6000112.5S485 A490 V491S485-D487 PolarHBondContact O-N 3.2Å; D487-A490 PolarHBondContact O-N 3.17Å; D487-V491 WeakPolarHBondContact O-CG2 3.19Å; D487-V491 PolarHBondContact O-N 2.88Å
488A85.6Confident80.8Confident53 Ų5366.1 Ų66.144%0.43840%0.4SS..Hα-helixtrans-67.9-38179.600000111.8F418 S485 G486 K492F418-A488 HydrophobicContact CZ-CB 4.05Å; S485-A488 PolarHBondContact O-N 3.15Å; G486-A488 PolarHBondContact O-N 2.87Å; A488-K492 PolarHBondContact O-N 3.31Å; A488-K492 VanDerWaalsContact O-N 3.08Å
489V88.2Confident81.4Confident0 Ų068.3 Ų68.30%041%0.411CS..Hα-helixtrans-63.3-46.1172.6166.30000110.7V414 Y417 F418 A475 F478 S485 G486 V491 K492 Q493V414-V489 HydrophobicContact CG1-CG2 4.13Å; Y417-V489 HydrophobicContact CD1-CB 4.32Å; Y417-V489 HydrophobicContact CD1-CG1 3.83Å; Y417-V489 HydrophobicContact CD1-CG2 3.93Å; Y417-V489 HydrophobicContact CE1-CB 4.23Å; Y417-V489 HydrophobicContact CE1-CG1 3.69Å; Y417-V489 HydrophobicContact CE1-CG2 4.3Å; Y417-V489 HydrophobicContact CE2-CG1 4.45Å; Y417-V489 HydrophobicContact CG-CG1 4.31Å; F418-V489 HydrophobicContact CE2-CG2 3.9Å; F418-V489 HydrophobicContact CZ-CG2 4.03Å; A475-V489 HydrophobicContact CB-CG1 3.75Å; F478-V489 HydrophobicContact CB-CG1 4.41Å; F478-V489 HydrophobicContact CD2-CG1 3.92Å; S485-V489 PolarHBondContact O-N 3.01Å; G486-V489 WeakPolarHBondContact O-CB 3.4Å; G486-V489 PolarHBondContact O-N 3.42Å; V489-V491 PolarHBondContact O-N 3.04Å; V489-K492 PolarHBondContact O-N 2.94Å; V489-Q493 PolarHBondContact O-N 2.84Å
490A87.6Confident82.6Confident43 Ų4365.9 Ų65.936%0.35539%0.39SS..Hα-helixtrans-63.2-39.3178.200000112.9G486 D487 Q493 S494G486-A490 PolarHBondContact O-N 3.28Å; D487-A490 PolarHBondContact O-N 3.17Å; A490-Q493 PolarHBondContact O-N 3.02Å; A490-S494 PolarHBondContact O-N 3.25Å
491V90.1Very high83.9Confident87 Ų8764.9 Ų64.953%0.52738%0.376SS..Hα-helixtrans-64.2-44.4174.3170.40000111.4D487 V489 S494 Q495D487-V491 WeakPolarHBondContact O-CG2 3.19Å; D487-V491 PolarHBondContact O-N 2.88Å; V489-V491 PolarHBondContact O-N 3.04Å; V491-S494 PolarHBondContact O-N 3.2Å; V491-Q495 WeakPolarHBondContact O-CG 3.37Å; V491-Q495 PolarHBondContact O-N 2.88Å
492K91.1Very high85.4Confident24 Ų2461.8 Ų61.810%0.10437%0.368CS..Hα-helixtrans-65.1-39.6177.3-174.366.4165.8-175.40111.5Y417 F418 A421 E425 A488 V489 S494 Q495 L496Y417-K492 HydrophobicContact CE1-CB 4.33Å; Y417-K492 HydrophobicContact CE1-CG 4.33Å; F418-K492 HydrophobicContact CD1-CB 4.49Å; F418-K492 HydrophobicContact CD1-CG 4.15Å; F418-K492 HydrophobicContact CE1-CB 3.89Å; F418-K492 HydrophobicContact CE1-CG 4.05Å; A421-K492 HydrophobicContact CB-CG 4.08Å; E425-K492 IonicContact OE2-NZ 3.72Å; E425-K492 PolarHBondContact OE2-NZ 3.44Å; A488-K492 PolarHBondContact O-N 3.31Å; A488-K492 VanDerWaalsContact O-N 3.08Å; V489-K492 PolarHBondContact O-N 2.94Å; K492-S494 PolarHBondContact O-N 2.84Å; K492-Q495 WeakPolarHBondContact O-CB 3.4Å; K492-Q495 PolarHBondContact O-N 3.12Å; K492-Q495 VanDerWaalsContact O-N 3.17Å; K492-L496 PolarHBondContact O-N 3.29Å
493Q93.2Very high87.1Confident13 Ų1353.5 Ų53.56%0.06132%0.324CS..Hα-helixtrans-60-46.1172.8-171.160.643.100111.5Y417 I468 L471 A475 V489 A490 Q495 L496 D497Y417-Q493 VanDerWaalsContact OH-CA 3.31Å; Y417-Q493 WeakPolarHBondContact OH-CA 3.42Å; Y417-Q493 WeakPolarHBondContact OH-CB 3.37Å; Y417-Q493 PolarHBondContact OH-N 3.48Å; Y417-Q493 PolarHBondContact OH-OE1 3.01Å; I468-Q493 PolarHBondContact O-NE2 2.83Å; L471-Q493 VanDerWaalsContact C-OE1 3.29Å; L471-Q493 PolarHBondContact O-OE1 2.99Å; A475-Q493 HydrophobicContact CB-CB 4.04Å; A475-Q493 HydrophobicContact CB-CG 4.1Å; V489-Q493 PolarHBondContact O-N 2.84Å; A490-Q493 PolarHBondContact O-N 3.02Å; Q493-Q495 PolarHBondContact O-N 3.07Å; Q493-L496 WeakPolarHBondContact O-CB 3.24Å; Q493-L496 PolarHBondContact O-N 3.25Å; Q493-L496 VanDerWaalsContact O-N 3.09Å; Q493-D497 PolarHBondContact NE2-OD1 3.34Å; Q493-D497 PolarHBondContact O-N 2.93Å
494S91.8Very high88.4Confident51 Ų5156.4 Ų56.436%0.35734%0.335SS..Hα-helixtrans-63.4-26.8177.7-174.20000113.2A490 V491 K492 K498A490-S494 PolarHBondContact O-N 3.25Å; V491-S494 PolarHBondContact O-N 3.2Å; K492-S494 PolarHBondContact O-N 2.84Å; S494-K498 WeakPolarHBondContact O-CD 3.33Å; S494-K498 VanDerWaalsContact O-CG 3.23Å; S494-K498 WeakPolarHBondContact O-CG 3.47Å; S494-K498 PolarHBondContact O-N 3.02Å
495Q93.4Very high89.6Confident92 Ų9255.3 Ų55.343%0.4332%0.319SS..Hα-helixtrans-71.2-46.4171-69.9168-10.900111.2V491 K492 Q493 D497 K498 L499V491-Q495 WeakPolarHBondContact O-CG 3.37Å; V491-Q495 PolarHBondContact O-N 2.88Å; K492-Q495 WeakPolarHBondContact O-CB 3.4Å; K492-Q495 PolarHBondContact O-N 3.12Å; K492-Q495 VanDerWaalsContact O-N 3.17Å; Q493-Q495 PolarHBondContact O-N 3.07Å; Q495-D497 PolarHBondContact O-N 3.06Å; Q495-K498 PolarHBondContact O-N 3.14Å; Q495-L499 WeakPolarHBondContact O-CG 3.48Å; Q495-L499 PolarHBondContact O-N 3.11Å
496L94.4Very high90.7Very high1 Ų154.3 Ų54.31%0.00531%0.31CS..Hα-helixtrans-59.7-45.8175.3-66.9176.9000112.3A421 A424 E425 M428 L471 K492 Q493 K498 L499 Y500A421-L496 HydrophobicContact CB-CD1 3.78Å; A421-L496 WeakPolarHBondContact O-CD2 3.21Å; A424-L496 HydrophobicContact CB-CD2 4.34Å; E425-L496 HydrophobicContact CB-CD2 3.99Å; M428-L496 HydrophobicContact CE-CB 4.33Å; M428-L496 HydrophobicContact CE-CD2 3.57Å; L471-L496 HydrophobicContact CD1-CD1 4.08Å; K492-L496 PolarHBondContact O-N 3.29Å; Q493-L496 WeakPolarHBondContact O-CB 3.24Å; Q493-L496 PolarHBondContact O-N 3.25Å; Q493-L496 VanDerWaalsContact O-N 3.09Å; L496-K498 PolarHBondContact O-N 2.85Å; L496-L499 PolarHBondContact O-N 3.27Å; L496-Y500 WeakPolarHBondContact O-CB 3.28Å; L496-Y500 PolarHBondContact O-N 2.64Å
497D93.1Very high91.3Very high74 Ų7454.2 Ų54.240%0.39631%0.308SS..Hα-helixtrans-60.4-36.1179.2-62.6-21.8000111.4Q493 Q495 A501Q493-D497 PolarHBondContact NE2-OD1 3.34Å; Q493-D497 PolarHBondContact O-N 2.93Å; Q495-D497 PolarHBondContact O-N 3.06Å; D497-A501 WeakPolarHBondContact O-CB 3.37Å; D497-A501 PolarHBondContact O-N 3.37Å
498K93.5Very high91.8Very high146 Ų14649.2 Ų49.264%0.63529%0.289SS*.Hα-helixtrans-72.4-42.6175.6-75.3170.6-173.3171.20112.9S494 Q495 L496 Y500 A501 G502S494-K498 WeakPolarHBondContact O-CD 3.33Å; S494-K498 VanDerWaalsContact O-CG 3.23Å; S494-K498 WeakPolarHBondContact O-CG 3.47Å; S494-K498 PolarHBondContact O-N 3.02Å; Q495-K498 PolarHBondContact O-N 3.14Å; L496-K498 PolarHBondContact O-N 2.85Å; K498-Y500 VanDerWaalsContact C-N 3.33Å; K498-A501 PolarHBondContact O-N 3.06Å; K498-G502 PolarHBondContact O-N 3.42Å
499L92.8Very high92.1Very high59 Ų5952.2 Ų52.231%0.30930%0.295SS..Hα-helixtrans-62.1-43.8175.3-72.8171.3000110.6E425 M428 Q495 L496 G502 L503E425-L499 HydrophobicContact CG-CD1 3.91Å; M428-L499 HydrophobicContact CE-CB 3.9Å; M428-L499 HydrophobicContact CE-CD1 4.38Å; M428-L499 HydrophobicContact SD-CB 4.24Å; Q495-L499 WeakPolarHBondContact O-CG 3.48Å; Q495-L499 PolarHBondContact O-N 3.11Å; L496-L499 PolarHBondContact O-N 3.27Å; L499-G502 PolarHBondContact O-N 2.97Å; L499-L503 WeakPolarHBondContact O-CB 3.44Å; L499-L503 PolarHBondContact O-N 3.46Å
500Y94.6Very high92.2Very high28 Ų2853.8 Ų53.811%0.1130%0.301CS..Hα-helixtrans-62.6-43.7176.7-174.4-100.3000112.4M428 V461 A465 I468 L496 K498 L503 K504M428-Y500 HydrophobicContact SD-CD2 4.04Å; M428-Y500 HydrophobicContact SD-CG 4.43Å; V461-Y500 HydrophobicContact CG1-CE2 3.85Å; V461-Y500 VanDerWaalsContact O-CE2 3.26Å; V461-Y500 WeakPolarHBondContact O-CE2 3.44Å; V461-Y500 PolarHBondContact O-OH 2.93Å; A465-Y500 HydrophobicContact CB-CE1 4.33Å; A465-Y500 WeakPolarHBondContact CB-OH 3.38Å; I468-Y500 HydrophobicContact CG1-CD2 3.91Å; I468-Y500 HydrophobicContact CG1-CG 4.12Å; L496-Y500 WeakPolarHBondContact O-CB 3.28Å; L496-Y500 PolarHBondContact O-N 2.64Å; K498-Y500 VanDerWaalsContact C-N 3.33Å; Y500-L503 PolarHBondContact O-N 3.44Å; Y500-K504 PolarHBondContact O-N 2.93Å
501A93.4Very high92.4Very high47 Ų4756.9 Ų56.939%0.38830%0.303SS..Hα-helixtrans-61.4-47.6174.300000111.9D497 K498 L503 K504 D505D497-A501 WeakPolarHBondContact O-CB 3.37Å; D497-A501 PolarHBondContact O-N 3.37Å; K498-A501 PolarHBondContact O-N 3.06Å; A501-L503 VanDerWaalsContact C-N 3.34Å; A501-L503 PolarHBondContact O-N 3.13Å; A501-K504 WeakPolarHBondContact O-CB 3.47Å; A501-K504 PolarHBondContact O-N 3.29Å; A501-K504 VanDerWaalsContact O-N 3.12Å; A501-D505 PolarHBondContact O-N 3.31Å
502G92.6Very high92.4Very high38 Ų3855 Ų5539%0.39230%0.297SS..Hα-helixtrans-62-37.9177.500000113.4K498 L499 K504 D505 L506K498-G502 PolarHBondContact O-N 3.42Å; L499-G502 PolarHBondContact O-N 2.97Å; G502-K504 VanDerWaalsContact C-N 3.34Å; G502-D505 PolarHBondContact O-N 3.07Å; G502-L506 WeakPolarHBondContact O-CB 3.43Å; G502-L506 PolarHBondContact O-N 3.3Å
503L92.9Very high92.3Very high7 Ų757.1 Ų57.14%0.03730%0.304CS..Hα-helixtrans-64.6-37.7173.8-177.763.1000111.8W427 M428 Q431 E432 M435 V461 L499 Y500 A501 A507W427-L503 HydrophobicContact CZ3-CD2 4.49Å; M428-L503 HydrophobicContact CB-CD2 4.2Å; M428-L503 HydrophobicContact CG-CD2 4.12Å; Q431-L503 HydrophobicContact CB-CD1 4.04Å; Q431-L503 HydrophobicContact CB-CD2 3.94Å; E432-L503 HydrophobicContact CB-CD1 4.15Å; M435-L503 HydrophobicContact CE-CD1 4.39Å; M435-L503 HydrophobicContact SD-CD1 3.8Å; V461-L503 HydrophobicContact CG1-CD2 4.03Å; V461-L503 HydrophobicContact CG1-CG 4.14Å; V461-L503 HydrophobicContact CG2-CD2 3.84Å; V461-L503 HydrophobicContact CG2-CG 4.15Å; L499-L503 WeakPolarHBondContact O-CB 3.44Å; L499-L503 PolarHBondContact O-N 3.46Å; Y500-L503 PolarHBondContact O-N 3.44Å; A501-L503 VanDerWaalsContact C-N 3.34Å; A501-L503 PolarHBondContact O-N 3.13Å; L503-A507 WeakPolarHBondContact O-CB 3.48Å; L503-A507 PolarHBondContact O-N 2.85Å
504K93Very high92.3Very high92 Ų9256.8 Ų56.840%0.430%0.302SS..Hα-helixtrans-69.8-39.2175.7-173.5162.9-177.1151.80112.4E462 Y500 A501 G502 A507 G508E462-K504 IonicContact OE1-NZ 2.77Å; E462-K504 PolarHBondContact OE1-NZ 3.45Å; E462-K504 WeakPolarHBondContact OE2-CE 3.29Å; E462-K504 IonicContact OE2-NZ 3.97Å; E462-K504 PolarHBondContact OE2-NZ 3.13Å; Y500-K504 PolarHBondContact O-N 2.93Å; A501-K504 WeakPolarHBondContact O-CB 3.47Å; A501-K504 PolarHBondContact O-N 3.29Å; A501-K504 VanDerWaalsContact O-N 3.12Å; G502-K504 VanDerWaalsContact C-N 3.34Å; K504-A507 WeakPolarHBondContact O-CB 3.42Å; K504-A507 PolarHBondContact O-N 3.45Å; K504-G508 PolarHBondContact O-N 3.47Å
505D92.2Very high92.2Very high110 Ų11057.6 Ų57.659%0.58830%0.303SS*.Hα-helixtrans-63.5-46.8173.2-68.3-25.5000110.6A501 G502 A507 G508 E509A501-D505 PolarHBondContact O-N 3.31Å; G502-D505 PolarHBondContact O-N 3.07Å; D505-A507 VanDerWaalsContact C-N 3.3Å; D505-A507 PolarHBondContact O-N 2.85Å; D505-G508 WeakPolarHBondContact O-CA 3.44Å; D505-G508 PolarHBondContact O-N 2.92Å; D505-E509 PolarHBondContact O-N 2.81Å
506L92.3Very high92.1Very high29 Ų2955.4 Ų55.415%0.15229%0.293CS..Hα-helixtrans-60.7-36.9175.4-175.265.9000112.4E432 M435 M436 G502 E509 R510E432-L506 HydrophobicContact CG-CD2 3.86Å; M435-L506 HydrophobicContact CB-CD2 3.64Å; M435-L506 HydrophobicContact CB-CG 3.91Å; M436-L506 HydrophobicContact CG-CD2 4.48Å; G502-L506 WeakPolarHBondContact O-CB 3.43Å; G502-L506 PolarHBondContact O-N 3.3Å; L506-E509 PolarHBondContact O-N 2.94Å; L506-R510 WeakPolarHBondContact O-CB 3.45Å; L506-R510 PolarHBondContact O-N 2.96Å
507A91.8Very high92Very high4 Ų455.5 Ų55.53%0.03329%0.293CS..Hα-helixtrans-62.4-42.4173.100000111.8M435 H454 L503 K504 D505 R511M435-A507 HydrophobicContact CE-CB 3.64Å; M435-A507 VanDerWaalsContact SD-CA 3.58Å; M435-A507 HydrophobicContact SD-CB 3.62Å; H454-A507 PolarHBondContact CE1-O 3.02Å; H454-A507 PolarHBondContact NE2-O 3.08Å; L503-A507 WeakPolarHBondContact O-CB 3.48Å; L503-A507 PolarHBondContact O-N 2.85Å; K504-A507 WeakPolarHBondContact O-CB 3.42Å; K504-A507 PolarHBondContact O-N 3.45Å; D505-A507 VanDerWaalsContact C-N 3.3Å; D505-A507 PolarHBondContact O-N 2.85Å; A507-R511 VanDerWaalsContact O-CB 3.29Å; A507-R511 WeakPolarHBondContact O-CB 3.4Å; A507-R511 PolarHBondContact O-N 2.98Å
508G91.1Very high92Very high35 Ų3553.2 Ų53.236%0.36128%0.281SS..Hα-helixtrans-64.5-46.4174.800000112.8K504 D505 R510 R511 A512K504-G508 PolarHBondContact O-N 3.47Å; D505-G508 WeakPolarHBondContact O-CA 3.44Å; D505-G508 PolarHBondContact O-N 2.92Å; G508-R510 PolarHBondContact O-N 3.11Å; G508-R511 WeakPolarHBondContact O-CB 3.48Å; G508-R511 PolarHBondContact O-N 2.87Å; G508-A512 PolarHBondContact O-N 3.2Å
509E90.4Very high91.9Very high117 Ų11749.7 Ų49.755%0.54727%0.267SS..Hα-helixtrans-61.4-42.4176.8-72.3-175.4178.500112.4D505 L506 A512 R513D505-E509 PolarHBondContact O-N 2.81Å; L506-E509 PolarHBondContact O-N 2.94Å; E509-A512 PolarHBondContact O-N 3.05Å; E509-R513 WeakPolarHBondContact O-CG 3.49Å; E509-R513 PolarHBondContact O-N 3.49Å
510R91.3Very high92Very high33 Ų3347.8 Ų47.813%0.12526%0.257CS..Hα-helixtrans-67.6-40.4176.6-171.8177.5-167.7-168.324.4111.8Y434 M435 V437 H454 L506 G508 A512 R513 L514Y434-R510 PolarHBondContact O-NH1 3.41Å; Y434-R510 PolarHBondContact O-NH2 3.45Å; M435-R510 WeakPolarHBondContact O-CD 3.45Å; V437-R510 PolarHBondContact O-NH2 2.9Å; H454-R510 WeakPolarHBondContact ND1-CD 3.5Å; L506-R510 WeakPolarHBondContact O-CB 3.45Å; L506-R510 PolarHBondContact O-N 2.96Å; G508-R510 PolarHBondContact O-N 3.11Å; R510-A512 VanDerWaalsContact C-N 3.35Å; R510-R513 PolarHBondContact O-N 3.19Å; R510-L514 HydrophobicContact CG-CD1 4.1Å; R510-L514 HydrophobicContact CG-CG 4.43Å; R510-L514 WeakPolarHBondContact O-CB 3.42Å; R510-L514 WeakPolarHBondContact O-CG 3.39Å; R510-L514 PolarHBondContact O-N 3.01Å
511R91.9Very high91.9Very high107 Ų10748.7 Ų48.740%0.40426%0.262SS..Hα-helixtrans-59.2-44.5173.9173.4167.2-170160.47.3111.7M451 E458 A507 G508 L514 N515M451-R511 HydrophobicContact CE-CB 4.3Å; M451-R511 HydrophobicContact CE-CG 3.84Å; M451-R511 HydrophobicContact SD-CG 4.44Å; E458-R511 IonicContact OE1-CZ 3.06Å; E458-R511 IonicContact OE1-NH1 3.53Å; E458-R511 PolarHBondContact OE1-NH1 2.78Å; E458-R511 WeakPolarHBondContact OE2-CD 3.33Å; E458-R511 IonicContact OE2-CZ 3.19Å; E458-R511 IonicContact OE2-NE 3.61Å; E458-R511 IonicContact OE2-NH1 2.78Å; E458-R511 PolarHBondContact OE2-NH1 3.36Å; A507-R511 VanDerWaalsContact O-CB 3.29Å; A507-R511 WeakPolarHBondContact O-CB 3.4Å; A507-R511 PolarHBondContact O-N 2.98Å; G508-R511 WeakPolarHBondContact O-CB 3.48Å; G508-R511 PolarHBondContact O-N 2.87Å; R511-L514 PolarHBondContact O-N 3.26Å; R511-N515 VanDerWaalsContact O-CB 3.29Å; R511-N515 WeakPolarHBondContact O-CB 3.47Å; R511-N515 PolarHBondContact O-N 3.06Å
512A90.4Very high91.8Very high48 Ų4850.4 Ų50.440%0.39726%0.263SS..Hα-helixtrans-59.1-50.217500000111.2G508 E509 R510 L514 N515 E516G508-A512 PolarHBondContact O-N 3.2Å; E509-A512 PolarHBondContact O-N 3.05Å; R510-A512 VanDerWaalsContact C-N 3.35Å; A512-L514 PolarHBondContact O-N 3.1Å; A512-N515 PolarHBondContact O-N 3.47Å; A512-E516 WeakPolarHBondContact O-CG 3.4Å; A512-E516 PolarHBondContact O-N 2.87Å
513R89.3Confident92Very high68 Ų6848.8 Ų48.826%0.25725%0.245SC..Hα-helixtrans-62.9-36.3179.1-70.9-173.4-74.8168.2-7.4114.2E438 E509 R510 A517E438-R513 IonicContact OE1-CZ 3.5Å; E438-R513 IonicContact OE1-NH1 3.49Å; E438-R513 PolarHBondContact OE1-NH1 2.78Å; E509-R513 WeakPolarHBondContact O-CG 3.49Å; E509-R513 PolarHBondContact O-N 3.49Å; R510-R513 PolarHBondContact O-N 3.19Å; R513-A517 PolarHBondContact O-N 2.7Å; R513-A517 VanDerWaalsContact O-N 3.11Å
514L91.4Very high92Very high6 Ų649.6 Ų49.63%0.03125%0.251CS..Hα-helixtrans-72.1-36.5174.6-74.7172.8000112.1D439 L450 M451 H454 R510 R511 A512 A517 L518D439-L514 WeakPolarHBondContact O-CD2 3.42Å; L450-L514 HydrophobicContact CB-CD2 3.93Å; M451-L514 HydrophobicContact SD-CB 3.75Å; M451-L514 HydrophobicContact SD-CD1 4.46Å; H454-L514 HydrophobicContact CB-CD1 3.71Å; R510-L514 HydrophobicContact CG-CD1 4.1Å; R510-L514 HydrophobicContact CG-CG 4.43Å; R510-L514 WeakPolarHBondContact O-CB 3.42Å; R510-L514 WeakPolarHBondContact O-CG 3.39Å; R510-L514 PolarHBondContact O-N 3.01Å; R511-L514 PolarHBondContact O-N 3.26Å; A512-L514 PolarHBondContact O-N 3.1Å; L514-A517 PolarHBondContact O-N 2.65Å; L514-L518 WeakPolarHBondContact O-CB 3.42Å; L514-L518 PolarHBondContact O-N 2.96Å
515N91.2Very high92.1Very high68 Ų6849.4 Ų49.436%0.36425%0.248SC..Hα-helixtrans-68.2-40.1174.8-179.186.3000112R511 A512 L518 Q519R511-N515 VanDerWaalsContact O-CB 3.29Å; R511-N515 WeakPolarHBondContact O-CB 3.47Å; R511-N515 PolarHBondContact O-N 3.06Å; A512-N515 PolarHBondContact O-N 3.47Å; N515-L518 PolarHBondContact O-N 3.2Å; N515-Q519 PolarHBondContact ND2-NE2 3.48Å; N515-Q519 VanDerWaalsContact ND2-NE2 3.14Å; N515-Q519 PolarHBondContact ND2-OE1 2.83Å; N515-Q519 WeakPolarHBondContact O-CB 3.41Å; N515-Q519 VanDerWaalsContact O-CG 3.28Å; N515-Q519 WeakPolarHBondContact O-CG 3.5Å; N515-Q519 PolarHBondContact O-N 3.08Å
516E91.4Very high92.2Very high47 Ų4746.5 Ų46.522%0.2223%0.231CC..Hα-helixtrans-55.1-55.5168.9-77.4-178.3-168.900110.8A512 L518 Q519 L520 H590 S591A512-E516 WeakPolarHBondContact O-CG 3.4Å; A512-E516 PolarHBondContact O-N 2.87Å; E516-L518 VanDerWaalsContact C-N 3.28Å; E516-L518 PolarHBondContact O-N 2.9Å; E516-Q519 PolarHBondContact O-N 3.43Å; E516-L520 PolarHBondContact O-N 3.16Å; E516-H590 VanDerWaalsContact C-NE2 3.32Å; E516-H590 WeakPolarHBondContact CA-NE2 3.45Å; E516-H590 WeakPolarHBondContact CB-NE2 3.35Å; E516-H590 PolarHBondContact O-NE2 3.32Å; E516-S591 WeakPolarHBondContact OE2-CB 3.38Å; E516-S591 PolarHBondContact OE2-N 2.88Å; E516-S591 PolarHBondContact OE2-OG 2.96Å
517A91.9Very high92.4Very high2 Ų245.3 Ų45.32%0.01723%0.225CC..Hα-helixtrans-55.8-41.7178.500000112.8R440 R513 L514 L520 F521R440-A517 HydrophobicContact CB-CB 3.94Å; R440-A517 HydrophobicContact CG-CB 4.27Å; R513-A517 PolarHBondContact O-N 2.7Å; R513-A517 VanDerWaalsContact O-N 3.11Å; L514-A517 PolarHBondContact O-N 2.65Å; A517-L520 PolarHBondContact O-N 3.37Å; A517-F521 WeakPolarHBondContact O-CD2 3.44Å; A517-F521 PolarHBondContact O-N 3.06Å; A517-F521 VanDerWaalsContact O-N 3.08Å
518L91.8Very high92.5Very high26 Ų2649.2 Ų49.214%0.13625%0.245CC..Hα-helixtrans-64.4-44.6175.6-177.463.2000112.2E444 A447 Q448 L514 N515 E516 L520 F521 M522E444-L518 HydrophobicContact CG-CD1 4.04Å; A447-L518 HydrophobicContact CB-CB 4.43Å; A447-L518 HydrophobicContact CB-CD1 4.28Å; Q448-L518 HydrophobicContact CB-CD1 4.08Å; L514-L518 WeakPolarHBondContact O-CB 3.42Å; L514-L518 PolarHBondContact O-N 2.96Å; N515-L518 PolarHBondContact O-N 3.2Å; E516-L518 VanDerWaalsContact C-N 3.28Å; E516-L518 PolarHBondContact O-N 2.9Å; L518-L520 VanDerWaalsContact C-N 3.33Å; L518-L520 PolarHBondContact O-N 3.14Å; L518-F521 PolarHBondContact O-N 2.9Å; L518-M522 HydrophobicContact CD1-CG 4.47Å; L518-M522 HydrophobicContact CG-SD 4.18Å; L518-M522 WeakPolarHBondContact O-CB 3.49Å; L518-M522 VanDerWaalsContact O-CG 3.28Å; L518-M522 WeakPolarHBondContact O-CG 3.31Å; L518-M522 PolarHBondContact O-N 3.21Å
519Q93Very high92.7Very high72 Ų7251.6 Ų51.634%0.33625%0.249SC..Hα-helixtrans-62.2-39.3176.8-75.5174.4-18.800112N515 E516 M522 L523 L585N515-Q519 PolarHBondContact ND2-NE2 3.48Å; N515-Q519 VanDerWaalsContact ND2-NE2 3.14Å; N515-Q519 PolarHBondContact ND2-OE1 2.83Å; N515-Q519 WeakPolarHBondContact O-CB 3.41Å; N515-Q519 VanDerWaalsContact O-CG 3.28Å; N515-Q519 WeakPolarHBondContact O-CG 3.5Å; N515-Q519 PolarHBondContact O-N 3.08Å; E516-Q519 PolarHBondContact O-N 3.43Å; Q519-M522 PolarHBondContact O-N 3.3Å; Q519-L523 WeakPolarHBondContact O-CB 3.39Å; Q519-L523 PolarHBondContact O-N 3.14Å; Q519-L585 HydrophobicContact CB-CD1 4.32Å; Q519-L585 HydrophobicContact CB-CD2 3.98Å; Q519-L585 HydrophobicContact CG-CD2 4.35Å; Q519-L585 VanDerWaalsContact OE1-CD2 3.26Å
520L93.5Very high93.1Very high19 Ų1946 Ų4610%0.09922%0.223CC..Hα-helixtrans-61.8-49174.7-175.869.5000111.8E516 A517 L518 L523 S524 D592 I596 W599E516-L520 PolarHBondContact O-N 3.16Å; A517-L520 PolarHBondContact O-N 3.37Å; L518-L520 VanDerWaalsContact C-N 3.33Å; L518-L520 PolarHBondContact O-N 3.14Å; L520-L523 PolarHBondContact O-N 2.94Å; L520-S524 PolarHBondContact O-N 3.49Å; L520-D592 HydrophobicContact CD1-CB 4.03Å; L520-D592 HydrophobicContact CD2-CB 3.86Å; L520-I596 HydrophobicContact CD1-CD1 3.88Å; L520-I596 HydrophobicContact CD1-CG1 3.53Å; L520-W599 HydrophobicContact CD1-CE3 4.44Å; L520-W599 HydrophobicContact CD1-CH2 3.77Å; L520-W599 HydrophobicContact CD1-CZ3 3.52Å; L520-W599 HydrophobicContact CG-CH2 4Å; L520-W599 HydrophobicContact CG-CZ3 4.09Å
521F92.9Very high93.3Very high48 Ų4847.3 Ų47.321%0.21123%0.231CC..Hα-helixtrans-67.1-36.8178.6-69.4-55.9000112.8K442 E444 A447 A517 L518 L523 S524 R525K442-F521 VanDerWaalsContact C-CZ 3.48Å; E444-F521 HydrophobicContact CB-CB 4.02Å; A447-F521 HydrophobicContact CB-CD2 3.82Å; A447-F521 HydrophobicContact CB-CE2 4.1Å; A517-F521 WeakPolarHBondContact O-CD2 3.44Å; A517-F521 PolarHBondContact O-N 3.06Å; A517-F521 VanDerWaalsContact O-N 3.08Å; L518-F521 PolarHBondContact O-N 2.9Å; F521-L523 VanDerWaalsContact C-N 3.34Å; F521-S524 PolarHBondContact O-N 3.38Å; F521-R525 PolarHBondContact O-N 3.04Å; F521-R525 VanDerWaalsContact O-N 3.11Å
522M92.6Very high93.5Very high83 Ų8347.5 Ų47.541%0.40924%0.236SC..Hα-helixtrans-62.5-41.2172.7-73.5179.170.300111.8E444 L518 Q519 E526E444-M522 HydrophobicContact CG-CG 4.1Å; L518-M522 HydrophobicContact CD1-CG 4.47Å; L518-M522 HydrophobicContact CG-SD 4.18Å; L518-M522 WeakPolarHBondContact O-CB 3.49Å; L518-M522 VanDerWaalsContact O-CG 3.28Å; L518-M522 WeakPolarHBondContact O-CG 3.31Å; L518-M522 PolarHBondContact O-N 3.21Å; Q519-M522 PolarHBondContact O-N 3.3Å; M522-E526 VanDerWaalsContact O-CG 3.31Å; M522-E526 WeakPolarHBondContact O-CG 3.31Å; M522-E526 PolarHBondContact O-N 2.88Å
523L94.9Very high93.8Very high3 Ų347.1 Ų47.12%0.01623%0.225CC..Hα-helixtrans-66.9-44.6175.7179.661.3000111.6Q519 L520 F521 R525 E526 V527 V578 I581 A582 L585 I596Q519-L523 WeakPolarHBondContact O-CB 3.39Å; Q519-L523 PolarHBondContact O-N 3.14Å; L520-L523 PolarHBondContact O-N 2.94Å; F521-L523 VanDerWaalsContact C-N 3.34Å; L523-R525 VanDerWaalsContact C-N 3.3Å; L523-R525 PolarHBondContact O-N 2.86Å; L523-E526 PolarHBondContact O-N 3.23Å; L523-E526 VanDerWaalsContact O-N 3.12Å; L523-V527 HydrophobicContact CD1-CG2 4.12Å; L523-V527 HydrophobicContact CG-CG2 4.27Å; L523-V527 WeakPolarHBondContact O-CG2 3.46Å; L523-V527 PolarHBondContact O-N 3.27Å; L523-V578 HydrophobicContact CD1-CG1 3.82Å; L523-I581 HydrophobicContact CD1-CB 4.23Å; L523-I581 HydrophobicContact CD1-CG2 3.96Å; L523-A582 HydrophobicContact CD2-CB 4.02Å; L523-L585 HydrophobicContact CD2-CD1 4.04Å; L523-I596 HydrophobicContact CD2-CB 4.45Å; L523-I596 HydrophobicContact CD2-CG1 4.19Å; L523-I596 HydrophobicContact CD2-CG2 3.69Å
524S93.8Very high94.2Very high25 Ų2543.9 Ų43.918%0.17521%0.213CC..Hα-helixtrans-50.2-52175.1-170.90000110.5L520 F521 E526 V527 D528L520-S524 PolarHBondContact O-N 3.49Å; F521-S524 PolarHBondContact O-N 3.38Å; S524-E526 PolarHBondContact O-N 2.94Å; S524-V527 WeakPolarHBondContact O-CB 3.42Å; S524-V527 PolarHBondContact O-N 2.84Å; S524-V527 VanDerWaalsContact O-N 3.15Å; S524-D528 WeakPolarHBondContact O-CB 3.43Å; S524-D528 PolarHBondContact O-N 3.35Å; S524-D528 VanDerWaalsContact O-OD2 3.04Å; S524-D528 PolarHBondContact OG-OD2 3.28Å
525R94.1Very high94.4Very high88 Ų8846.6 Ų46.633%0.33223%0.229SC..Hα-helixtrans-59.8-44.1179.1-167.5-162.571.2-136.9-4.3112.7E444 F521 L523 V527 D528 D529E444-R525 IonicContact OE1-NH1 3.62Å; E444-R525 PolarHBondContact OE1-NH1 3.37Å; E444-R525 IonicContact OE2-CZ 3.38Å; E444-R525 IonicContact OE2-NH1 2.74Å; E444-R525 PolarHBondContact OE2-NH1 3.2Å; F521-R525 PolarHBondContact O-N 3.04Å; F521-R525 VanDerWaalsContact O-N 3.11Å; L523-R525 VanDerWaalsContact C-N 3.3Å; L523-R525 PolarHBondContact O-N 2.86Å; R525-V527 VanDerWaalsContact C-N 3.29Å; R525-V527 PolarHBondContact O-N 3.45Å; R525-D528 PolarHBondContact O-N 3.41Å; R525-D529 IonicContact NE-OD2 3.91Å; R525-D529 VanDerWaalsContact O-CB 3.22Å; R525-D529 WeakPolarHBondContact O-CB 3.28Å; R525-D529 VanDerWaalsContact O-CG 3.26Å; R525-D529 PolarHBondContact O-N 3.41Å
526E94.7Very high94.6Very high49 Ų4947.8 Ų47.823%0.22924%0.236CC..Hα-helixtrans-69.3-26.2179.6-60.8-88.1135.900112.6M522 L523 S524 L530 K577 V578M522-E526 VanDerWaalsContact O-CG 3.31Å; M522-E526 WeakPolarHBondContact O-CG 3.31Å; M522-E526 PolarHBondContact O-N 2.88Å; L523-E526 PolarHBondContact O-N 3.23Å; L523-E526 VanDerWaalsContact O-N 3.12Å; S524-E526 PolarHBondContact O-N 2.94Å; E526-L530 VanDerWaalsContact O-CB 3.3Å; E526-L530 WeakPolarHBondContact O-CB 3.44Å; E526-K577 IonicContact OE2-NZ 3.4Å; E526-K577 PolarHBondContact OE2-NZ 2.83Å; E526-V578 HydrophobicContact CB-CG2 4.2Å
527V96.3Very high94.9Very high4 Ų449.1 Ų49.12%0.02424%0.239CC..Hα-helixtrans-71.7-54.6169.1172.60000109.8L523 S524 R525 D529 L530 E531 V578 W599 L603L523-V527 HydrophobicContact CD1-CG2 4.12Å; L523-V527 HydrophobicContact CG-CG2 4.27Å; L523-V527 WeakPolarHBondContact O-CG2 3.46Å; L523-V527 PolarHBondContact O-N 3.27Å; S524-V527 WeakPolarHBondContact O-CB 3.42Å; S524-V527 PolarHBondContact O-N 2.84Å; S524-V527 VanDerWaalsContact O-N 3.15Å; R525-V527 VanDerWaalsContact C-N 3.29Å; R525-V527 PolarHBondContact O-N 3.45Å; V527-D529 PolarHBondContact O-N 3.01Å; V527-L530 CarbonylContact O-C 3.41Å; V527-L530 WeakPolarHBondContact O-CA 3.47Å; V527-L530 WeakPolarHBondContact O-CB 3.03Å; V527-L530 PolarHBondContact O-N 3.41Å; V527-E531 HydrophobicContact CG1-CG 4.13Å; V527-E531 PolarHBondContact O-N 3.35Å; V527-V578 HydrophobicContact CG2-CG1 3.6Å; V527-W599 HydrophobicContact CG1-CB 4.44Å; V527-W599 HydrophobicContact CG2-CB 4.45Å; V527-L603 HydrophobicContact CG1-CB 4.48Å; V527-L603 HydrophobicContact CG2-CD2 4.41Å
528D95Very high95.1Very high86 Ų8651.7 Ų51.746%0.4625%0.25SS..Hα-helixtrans-56-46-179.6-61.6-39.1000111.8S524 R525 L530 E531 Q532S524-D528 WeakPolarHBondContact O-CB 3.43Å; S524-D528 PolarHBondContact O-N 3.35Å; S524-D528 VanDerWaalsContact O-OD2 3.04Å; S524-D528 PolarHBondContact OG-OD2 3.28Å; R525-D528 PolarHBondContact O-N 3.41Å; D528-L530 PolarHBondContact O-N 3.45Å; D528-E531 PolarHBondContact O-N 3.08Å; D528-Q532 WeakPolarHBondContact O-CB 3.47Å; D528-Q532 PolarHBondContact O-N 2.95Å
529D95.9Very high95.2Very high84 Ų8455.8 Ų55.845%0.44928%0.276SS..Hα-helixtrans-64.9-17.6176-78.2-22.7000113.2R525 V527 R574R525-D529 IonicContact NE-OD2 3.91Å; R525-D529 VanDerWaalsContact O-CB 3.22Å; R525-D529 WeakPolarHBondContact O-CB 3.28Å; R525-D529 VanDerWaalsContact O-CG 3.26Å; R525-D529 PolarHBondContact O-N 3.41Å; V527-D529 PolarHBondContact O-N 3.01Å; D529-R574 PolarHBondContact O-NH2 3.36Å
530L96.9Very high95.3Very high0 Ų055.4 Ų55.40%028%0.278CS..Hα-helixtrans-98.4-40.2178-175.955.9000111.6E526 V527 D528 W533 I534 R574 V575 V578 L603E526-L530 VanDerWaalsContact O-CB 3.3Å; E526-L530 WeakPolarHBondContact O-CB 3.44Å; V527-L530 CarbonylContact O-C 3.41Å; V527-L530 WeakPolarHBondContact O-CA 3.47Å; V527-L530 WeakPolarHBondContact O-CB 3.03Å; V527-L530 PolarHBondContact O-N 3.41Å; D528-L530 PolarHBondContact O-N 3.45Å; L530-W533 HydrophobicContact CD1-CD2 4.48Å; L530-W533 HydrophobicContact CD1-CE3 3.8Å; L530-W533 HydrophobicContact CD1-CZ3 4.37Å; L530-W533 CarbonylContact O-C 3.57Å; L530-W533 WeakPolarHBondContact O-CB 3.28Å; L530-W533 PolarHBondContact O-N 2.88Å; L530-W533 VanDerWaalsContact O-N 3.14Å; L530-I534 HydrophobicContact CG-CD1 4.41Å; L530-I534 WeakPolarHBondContact O-CG1 3.36Å; L530-I534 PolarHBondContact O-N 3.27Å; L530-R574 HydrophobicContact CD1-CB 3.78Å; L530-R574 HydrophobicContact CD2-CB 4.05Å; L530-V575 HydrophobicContact CD2-CB 4.48Å; L530-V575 HydrophobicContact CD2-CG2 3.82Å; L530-V575 HydrophobicContact CG-CG2 4.45Å; L530-V578 HydrophobicContact CD2-CB 4.38Å; L530-V578 HydrophobicContact CD2-CG2 3.94Å; L530-L603 HydrophobicContact CB-CD1 4.28Å; L530-L603 HydrophobicContact CD2-CD1 3.87Å; L530-L603 HydrophobicContact CD2-CD2 3.98Å; L530-L603 HydrophobicContact CD2-CG 4.48Å; L530-L603 HydrophobicContact CG-CD1 3.82Å
531E95.9Very high95.3Very high61 Ų6154.6 Ų54.629%0.28527%0.274SS..Hα-helixtrans-61.1-42.7171.5-71.1-172.8175.100111.7V527 D528 W533 I534 T535 L603V527-E531 HydrophobicContact CG1-CG 4.13Å; V527-E531 PolarHBondContact O-N 3.35Å; D528-E531 PolarHBondContact O-N 3.08Å; E531-W533 VanDerWaalsContact C-N 3.32Å; E531-W533 PolarHBondContact O-N 3.47Å; E531-I534 PolarHBondContact O-N 3.44Å; E531-T535 WeakPolarHBondContact O-CB 3.44Å; E531-T535 PolarHBondContact O-N 2.93Å; E531-T535 PolarHBondContact O-OG1 2.89Å; E531-L603 HydrophobicContact CG-CD1 4.04Å
532Q95.9Very high95.2Very high110 Ų11054.3 Ų54.351%0.51429%0.285SS..Hα-helixtrans-62.8-39.3172.4-178.560.563.100111.6D528 T535 D536D528-Q532 WeakPolarHBondContact O-CB 3.47Å; D528-Q532 PolarHBondContact O-N 2.95Å; Q532-T535 WeakPolarHBondContact O-CB 3.46Å; Q532-T535 PolarHBondContact O-N 3.44Å; Q532-D536 PolarHBondContact NE2-OD1 3.32Å; Q532-D536 PolarHBondContact O-N 3.46Å
533W97.3Very high95.3Very high40 Ų4052.6 Ų52.615%0.15228%0.281CS..Hα-helixtrans-68.2-36176.6177.292.4000112.3L530 E531 R537 T567 V570 G571 W607L530-W533 HydrophobicContact CD1-CD2 4.48Å; L530-W533 HydrophobicContact CD1-CE3 3.8Å; L530-W533 HydrophobicContact CD1-CZ3 4.37Å; L530-W533 CarbonylContact O-C 3.57Å; L530-W533 WeakPolarHBondContact O-CB 3.28Å; L530-W533 PolarHBondContact O-N 2.88Å; L530-W533 VanDerWaalsContact O-N 3.14Å; E531-W533 VanDerWaalsContact C-N 3.32Å; E531-W533 PolarHBondContact O-N 3.47Å; W533-R537 HydrophobicContact CD2-CG 4.25Å; W533-R537 HydrophobicContact CE3-CG 4.4Å; W533-R537 HydrophobicContact CH2-CG 4.33Å; W533-R537 HydrophobicContact CZ2-CG 4.18Å; W533-R537 HydrophobicContact CZ3-CG 4.44Å; W533-R537 WeakPolarHBondContact O-CG 3.3Å; W533-R537 PolarHBondContact O-N 2.85Å; W533-T567 HydrophobicContact CH2-CG2 3.84Å; W533-T567 HydrophobicContact CZ3-CG2 4.44Å; W533-V570 HydrophobicContact CZ2-CB 4.36Å; W533-V570 HydrophobicContact CZ2-CG1 4.1Å; W533-G571 VanDerWaalsContact CH2-CA 3.46Å; W533-W607 HydrophobicContact CH2-CZ3 4.47Å; W533-W607 HydrophobicContact CZ3-CZ3 4.01Å
534I97.6Very high95.1Very high1 Ų161 Ų611%0.00532%0.321CS..Hα-helixtrans-62-50.2171.5-72.6169.1000109.2L530 E531 D536 R537 E538 L603 W607 L610L530-I534 HydrophobicContact CG-CD1 4.41Å; L530-I534 WeakPolarHBondContact O-CG1 3.36Å; L530-I534 PolarHBondContact O-N 3.27Å; E531-I534 PolarHBondContact O-N 3.44Å; I534-D536 VanDerWaalsContact C-N 3.31Å; I534-D536 PolarHBondContact O-N 3.23Å; I534-R537 CarbonylContact O-C 3.58Å; I534-R537 WeakPolarHBondContact O-CA 3.17Å; I534-R537 WeakPolarHBondContact O-CB 3.5Å; I534-R537 PolarHBondContact O-N 2.89Å; I534-E538 HydrophobicContact CG2-CG 4.31Å; I534-E538 WeakPolarHBondContact O-CG 3.22Å; I534-E538 PolarHBondContact O-N 3.04Å; I534-L603 HydrophobicContact CD1-CD1 3.73Å; I534-W607 HydrophobicContact CD1-CB 4.11Å; I534-W607 HydrophobicContact CD1-CE3 4.3Å; I534-W607 HydrophobicContact CG1-CE3 4.23Å; I534-L610 HydrophobicContact CB-CD2 4.35Å; I534-L610 HydrophobicContact CG1-CD2 4.34Å; I534-L610 HydrophobicContact CG2-CB 4.1Å; I534-L610 HydrophobicContact CG2-CD2 3.94Å
535T96.3Very high95.1Very high63 Ų6364.2 Ų64.239%0.38733%0.333SS..Hα-helixtrans-55.2-44178.1-53.40000112.1E531 Q532 R537 E538 V539E531-T535 WeakPolarHBondContact O-CB 3.44Å; E531-T535 PolarHBondContact O-N 2.93Å; E531-T535 PolarHBondContact O-OG1 2.89Å; Q532-T535 WeakPolarHBondContact O-CB 3.46Å; Q532-T535 PolarHBondContact O-N 3.44Å; T535-R537 PolarHBondContact O-N 3.04Å; T535-E538 PolarHBondContact O-N 2.91Å; T535-V539 PolarHBondContact O-N 2.94Å
536D95.8Very high94.9Very high92 Ų9262.9 Ų62.949%0.49233%0.332SS..Hα-helixtrans-62.3-29.4175.7-72.7-3.5000112.8Q532 I534Q532-D536 PolarHBondContact NE2-OD1 3.32Å; Q532-D536 PolarHBondContact O-N 3.46Å; I534-D536 VanDerWaalsContact C-N 3.31Å; I534-D536 PolarHBondContact O-N 3.23Å
537R96.4Very high94.7Very high76 Ų7661.4 Ų61.429%0.28733%0.33SS..Hα-helixtrans-82.6-35.7177.5-63.1-74158.9167.3-7.6112.1W533 I534 T535 V539 V540 A541 F563 T567 L610W533-R537 HydrophobicContact CD2-CG 4.25Å; W533-R537 HydrophobicContact CE3-CG 4.4Å; W533-R537 HydrophobicContact CH2-CG 4.33Å; W533-R537 HydrophobicContact CZ2-CG 4.18Å; W533-R537 HydrophobicContact CZ3-CG 4.44Å; W533-R537 WeakPolarHBondContact O-CG 3.3Å; W533-R537 PolarHBondContact O-N 2.85Å; I534-R537 CarbonylContact O-C 3.58Å; I534-R537 WeakPolarHBondContact O-CA 3.17Å; I534-R537 WeakPolarHBondContact O-CB 3.5Å; I534-R537 PolarHBondContact O-N 2.89Å; T535-R537 PolarHBondContact O-N 3.04Å; R537-V539 PolarHBondContact O-N 3.08Å; R537-V540 PolarHBondContact O-N 2.96Å; R537-A541 PolarHBondContact O-N 3.27Å; R537-F563 HydrophobicContact CB-CZ 4.13Å; R537-T567 HydrophobicContact CB-CG2 4.23Å; R537-T567 HydrophobicContact CG-CG2 4.07Å; R537-L610 HydrophobicContact CB-CD1 3.93Å; R537-L610 HydrophobicContact CB-CD2 3.69Å; R537-L610 HydrophobicContact CG-CD2 4.5Å
538E95.8Very high94.4Very high56 Ų5668.2 Ų68.226%0.26236%0.361SS..Hα-helixtrans-57.6-38174-69.9178.8155.100111.9I534 T535 V540 A541 G542 L610 L613I534-E538 HydrophobicContact CG2-CG 4.31Å; I534-E538 WeakPolarHBondContact O-CG 3.22Å; I534-E538 PolarHBondContact O-N 3.04Å; T535-E538 PolarHBondContact O-N 2.91Å; E538-V540 PolarHBondContact O-N 2.6Å; E538-A541 PolarHBondContact O-N 2.72Å; E538-G542 PolarHBondContact O-N 3.33Å; E538-L610 HydrophobicContact CB-CD1 4.47Å; E538-L610 HydrophobicContact CG-CB 4.23Å; E538-L610 HydrophobicContact CG-CD1 3.92Å; E538-L613 HydrophobicContact CB-CD1 4.32Å; E538-L613 HydrophobicContact CG-CD1 4.15Å
539V95.3Very high94.3Very high111 Ų11168 Ų6867%0.67336%0.36SS*.Hα-helixtrans-58.1-34.3175.3174.80000112.1T535 R537T535-V539 PolarHBondContact O-N 2.94Å; R537-V539 PolarHBondContact O-N 3.08Å
540V93.6Very high94.1Very high64 Ų6466.4 Ų66.439%0.38835%0.349SS..Hα-helixtrans-81.5-42.3177.3-177.30000111R537 E538 S543 F563R537-V540 PolarHBondContact O-N 2.96Å; E538-V540 PolarHBondContact O-N 2.6Å; V540-S543 WeakPolarHBondContact O-CB 3.4Å; V540-S543 PolarHBondContact O-N 2.77Å; V540-F563 HydrophobicContact CB-CE1 4.19Å; V540-F563 HydrophobicContact CB-CE2 3.78Å; V540-F563 HydrophobicContact CB-CZ 3.58Å; V540-F563 HydrophobicContact CG1-CD1 4.22Å; V540-F563 HydrophobicContact CG1-CD2 3.96Å; V540-F563 HydrophobicContact CG1-CE1 3.97Å; V540-F563 HydrophobicContact CG1-CE2 3.66Å; V540-F563 HydrophobicContact CG1-CG 4.23Å; V540-F563 HydrophobicContact CG1-CZ 3.69Å; V540-F563 HydrophobicContact CG2-CE2 4.1Å; V540-F563 HydrophobicContact CG2-CZ 4.32Å
541A94.2Very high94Very high2 Ų271.7 Ų71.72%0.01738%0.378CS..Hα-helixtrans-63.2-42.6177.900000112.4R537 E538 S543 F560 L610 L613 I614 R617R537-A541 PolarHBondContact O-N 3.27Å; E538-A541 PolarHBondContact O-N 2.72Å; A541-S543 PolarHBondContact O-N 3.21Å; A541-F560 HydrophobicContact CB-CZ 4.43Å; A541-L610 HydrophobicContact CB-CD1 3.94Å; A541-L613 HydrophobicContact CB-CB 3.89Å; A541-I614 HydrophobicContact CB-CG1 3.83Å; A541-R617 WeakPolarHBondContact O-CB 3.43Å; A541-R617 VanDerWaalsContact O-CG 3.26Å; A541-R617 WeakPolarHBondContact O-CG 3.4Å
542G91.8Very high93.9Very high42 Ų4271.4 Ų71.443%0.43338%0.376SS..THydrogen-bonded Turntrans-74.35.6178.100000115.7E538 Q544E538-G542 PolarHBondContact O-N 3.33Å; G542-Q544 PolarHBondContact O-N 3.47Å
543S93.6Very high93.9Very high47 Ų4766.1 Ų66.133%0.32935%0.351SS..  trans-62.6131.7178.4178.20000112.3V540 A541 R617V540-S543 WeakPolarHBondContact O-CB 3.4Å; V540-S543 PolarHBondContact O-N 2.77Å; A541-S543 PolarHBondContact O-N 3.21Å; S543-R617 VanDerWaalsContact O-CD 3.31Å; S543-R617 WeakPolarHBondContact O-CD 3.32Å; S543-R617 PolarHBondContact O-NE 3.49Å; S543-R617 PolarHBondContact O-NH1 3.29Å
544Q91.9Very high93.7Very high180 Ų18065.2 Ų65.284%0.84135%0.35SS*.  trans-92.42.6-177.2-62.4-176.11.900114.2G542 L546G542-Q544 PolarHBondContact O-N 3.47Å; Q544-L546 PolarHBondContact O-N 3Å
545E92.3Very high93.5Very high93 Ų9368.8 Ų68.844%0.43537%0.369SS..  trans-72.7115.5-176.9-177.8169.4-152.200111.4H552 L556 R617E545-H552 IonicContact OE1-CE1 2.66Å; E545-H552 PolarHBondContact OE1-CE1 2.87Å; E545-H552 VanDerWaalsContact OE1-CE1 3.31Å; E545-H552 IonicContact OE1-NE2 2.62Å; E545-L556 HydrophobicContact CB-CD2 4.32Å; E545-L556 HydrophobicContact CG-CD2 3.95Å; E545-L556 VanDerWaalsContact O-CD2 3.24Å; E545-L556 WeakPolarHBondContact O-CD2 3.45Å; E545-R617 PolarHBondContact O-NH1 3.45Å; E545-R617 PolarHBondContact O-NH2 3.08Å
546L90.3Very high93.4Very high60 Ų6067.3 Ų67.331%0.31436%0.358SS..  trans-101.414.7-176.3-67.3171.3000114.1Q544 V553 M620 L621 S624Q544-L546 PolarHBondContact O-N 3Å; L546-V553 WeakPolarHBondContact O-CG2 3.41Å; L546-M620 HydrophobicContact CD1-CE 4.35Å; L546-M620 HydrophobicContact CD2-CB 3.87Å; L546-M620 HydrophobicContact CD2-CE 4.45Å; L546-L621 HydrophobicContact CD2-CD2 4.48Å; L546-S624 WeakPolarHBondContact O-CB 3.17Å; L546-S624 PolarHBondContact O-OG 2.8Å
547G90Very high93.3Very high17 Ų1763.3 Ų63.318%0.17534%0.338CS..  trans79.3172.7-170.300000113.1
548Q90.9Very high93.2Very high148 Ų14864.7 Ų64.769%0.69235%0.347SS*.SBendtrans-121.4-29.1-177.9-62.6178.124.300112.3H628Q548-H628 PolarHBondContact O-CE1 3.26Å
549D92.1Very high93.2Very high81 Ų8169.6 Ų69.643%0.43336%0.363SS..SBendtrans-144.6178.8174.856.740.1000109.7D551 H552 V553D549-D551 PolarHBondContact O-N 3.13Å; D549-D551 PolarHBondContact OD1-N 3.27Å; D549-H552 PolarHBondContact O-N 3.36Å; D549-H552 VanDerWaalsContact OD1-CB 3.24Å; D549-H552 WeakPolarHBondContact OD1-CB 3.5Å; D549-H552 PolarHBondContact OD1-N 2.91Å; D549-V553 WeakPolarHBondContact O-CG1 3.45Å; D549-V553 PolarHBondContact O-N 2.7Å
550F93.3Very high93.2Very high50 Ų5064.8 Ų64.822%0.21933%0.334CS..Hα-helixtrans-64.7-35.6-175.6178.8-115.5000113.5T554 R625 H628 K629 H632F550-T554 WeakPolarHBondContact O-CB 3.29Å; F550-T554 PolarHBondContact O-N 3.34Å; F550-T554 PolarHBondContact O-OG1 2.99Å; F550-R625 HydrophobicContact CD2-CG 4.42Å; F550-R625 HydrophobicContact CE2-CG 3.99Å; F550-H628 HydrophobicContact CB-CB 4.21Å; F550-K629 HydrophobicContact CD2-CB 3.81Å; F550-K629 HydrophobicContact CE2-CB 3.6Å; F550-K629 HydrophobicContact CE2-CG 4.15Å; F550-K629 HydrophobicContact CZ-CB 4.37Å; F550-K629 HydrophobicContact CZ-CG 4.45Å; F550-H632 HydrophobicContact CB-CB 4.16Å; F550-H632 HydrophobicContact CG-CB 4.4Å
551D92.9Very high93.3Very high112 Ų11264.2 Ų64.260%0.59933%0.328SS*.Hα-helixtrans-72.8-44-179.8-62-41.6000110.3D549 T554 L555D549-D551 PolarHBondContact O-N 3.13Å; D549-D551 PolarHBondContact OD1-N 3.27Å; D551-T554 PolarHBondContact O-N 3.44Å; D551-L555 WeakPolarHBondContact O-CB 3.38Å; D551-L555 PolarHBondContact O-N 3.23Å
552H94.3Very high93.3Very high54 Ų5470.1 Ų70.125%0.2536%0.356CS..Hα-helixtrans-64.9-46.6177.5-174.8-162.6000112.1E545 D549 T554 L555 L556E545-H552 IonicContact OE1-CE1 2.66Å; E545-H552 PolarHBondContact OE1-CE1 2.87Å; E545-H552 VanDerWaalsContact OE1-CE1 3.31Å; E545-H552 IonicContact OE1-NE2 2.62Å; D549-H552 PolarHBondContact O-N 3.36Å; D549-H552 VanDerWaalsContact OD1-CB 3.24Å; D549-H552 WeakPolarHBondContact OD1-CB 3.5Å; D549-H552 PolarHBondContact OD1-N 2.91Å; H552-T554 VanDerWaalsContact C-N 3.3Å; H552-T554 PolarHBondContact O-N 2.84Å; H552-L555 PolarHBondContact O-N 2.95Å; H552-L556 VanDerWaalsContact O-CB 3.32Å; H552-L556 WeakPolarHBondContact O-CB 3.46Å; H552-L556 PolarHBondContact O-N 3.3Å
553V95.4Very high93.5Very high0 Ų069.6 Ų69.60%034%0.342CS..Hα-helixtrans-68.6-30.5178.274.40000112.3L546 D549 S557 L621 R625 H628L546-V553 WeakPolarHBondContact O-CG2 3.41Å; D549-V553 WeakPolarHBondContact O-CG1 3.45Å; D549-V553 PolarHBondContact O-N 2.7Å; V553-S557 WeakPolarHBondContact O-CB 3.31Å; V553-S557 PolarHBondContact O-N 2.9Å; V553-L621 HydrophobicContact CG2-CD2 4.32Å; V553-R625 HydrophobicContact CG1-CB 4.04Å; V553-R625 HydrophobicContact CG1-CG 4.16Å; V553-R625 HydrophobicContact CG2-CB 4.27Å; V553-H628 HydrophobicContact CG1-CB 4.06Å
554T93.1Very high93.6Very high21 Ų2167.7 Ų67.713%0.12933%0.328CS..Hα-helixtrans-63.5-51.6171.7-71.50000110.9F550 D551 H552 L556 S557 E558 R625F550-T554 WeakPolarHBondContact O-CB 3.29Å; F550-T554 PolarHBondContact O-N 3.34Å; F550-T554 PolarHBondContact O-OG1 2.99Å; D551-T554 PolarHBondContact O-N 3.44Å; H552-T554 VanDerWaalsContact C-N 3.3Å; H552-T554 PolarHBondContact O-N 2.84Å; T554-L556 VanDerWaalsContact C-N 3.31Å; T554-L556 PolarHBondContact O-N 2.94Å; T554-S557 PolarHBondContact O-N 2.89Å; T554-E558 WeakPolarHBondContact CG2-OE1 3.22Å; T554-E558 WeakPolarHBondContact O-CG 3.23Å; T554-E558 PolarHBondContact O-N 3.42Å; T554-R625 PolarHBondContact OG1-NE 3.36Å; T554-R625 PolarHBondContact OG1-NH2 2.66Å
555L94.1Very high93.8Very high76 Ų7667.8 Ų67.840%0.39832%0.321SS..Hα-helixtrans-59.3-41.4176.7178.365.1000112.3D551 H552 E558 R559D551-L555 WeakPolarHBondContact O-CB 3.38Å; D551-L555 PolarHBondContact O-N 3.23Å; H552-L555 PolarHBondContact O-N 2.95Å; L555-E558 PolarHBondContact O-N 2.95Å; L555-R559 HydrophobicContact CD1-CG 4.38Å; L555-R559 WeakPolarHBondContact O-CB 3.49Å; L555-R559 WeakPolarHBondContact O-CG 3.16Å; L555-R559 PolarHBondContact O-N 3.46Å
556L94.6Very high94Very high31 Ų3167.9 Ų67.916%0.16233%0.325CS..Hα-helixtrans-68.5-40.6179.6-173.258.2000111.7E545 H552 T554 F560 L621E545-L556 HydrophobicContact CB-CD2 4.32Å; E545-L556 HydrophobicContact CG-CD2 3.95Å; E545-L556 VanDerWaalsContact O-CD2 3.24Å; E545-L556 WeakPolarHBondContact O-CD2 3.45Å; H552-L556 VanDerWaalsContact O-CB 3.32Å; H552-L556 WeakPolarHBondContact O-CB 3.46Å; H552-L556 PolarHBondContact O-N 3.3Å; T554-L556 VanDerWaalsContact C-N 3.31Å; T554-L556 PolarHBondContact O-N 2.94Å; L556-F560 VanDerWaalsContact O-CB 3.22Å; L556-F560 WeakPolarHBondContact O-CB 3.48Å; L556-F560 PolarHBondContact O-N 3.17Å; L556-L621 HydrophobicContact CD2-CD2 3.84Å; L556-L621 HydrophobicContact CG-CD1 4.49Å; L556-L621 HydrophobicContact CG-CD2 3.95Å
557S94.2Very high94.3Very high8 Ų865 Ų656%0.05631%0.31CS..Hα-helixtrans-63.5-43.9173.3178.80000111.9V553 T554 F560 N561V553-S557 WeakPolarHBondContact O-CB 3.31Å; V553-S557 PolarHBondContact O-N 2.9Å; T554-S557 PolarHBondContact O-N 2.89Å; S557-F560 PolarHBondContact O-N 2.88Å; S557-N561 WeakPolarHBondContact O-CB 3.43Å; S557-N561 PolarHBondContact O-N 2.99Å; S557-N561 PolarHBondContact O-ND2 3.44Å
558E94.2Very high94.5Very high105 Ų10568.9 Ų68.949%0.49132%0.323SS..Hα-helixtrans-64.1-47.5178.7-74.7169.7-173.500111.9T554 L555 F560 N561 E562 R625T554-E558 WeakPolarHBondContact CG2-OE1 3.22Å; T554-E558 WeakPolarHBondContact O-CG 3.23Å; T554-E558 PolarHBondContact O-N 3.42Å; L555-E558 PolarHBondContact O-N 2.95Å; E558-F560 VanDerWaalsContact C-N 3.35Å; E558-F560 PolarHBondContact O-N 3.05Å; E558-N561 PolarHBondContact O-N 2.97Å; E558-E562 PolarHBondContact O-N 3.03Å; E558-E562 VanDerWaalsContact O-N 3.08Å; E558-R625 IonicContact OE1-NH2 2.67Å
559R94.4Very high94.7Very high159 Ų15965 Ų6560%0.632%0.316SS*.Hα-helixtrans-62.8-38.4174.5-73.7178.3174.8-172.4-0.5113L555 E562 F563L555-R559 HydrophobicContact CD1-CG 4.38Å; L555-R559 WeakPolarHBondContact O-CB 3.49Å; L555-R559 WeakPolarHBondContact O-CG 3.16Å; L555-R559 PolarHBondContact O-N 3.46Å; R559-E562 PolarHBondContact O-N 3.44Å; R559-F563 WeakPolarHBondContact O-CB 3.29Å; R559-F563 PolarHBondContact O-N 3.34Å
560F96.8Very high94.8Very high11 Ų1164.5 Ų64.55%0.04832%0.316CS..Hα-helixtrans-70.8-36.5178.4-166.9-98.1000112A541 L556 S557 E558 E562 F563 A564 I614 R617 T618 L621A541-F560 HydrophobicContact CB-CZ 4.43Å; L556-F560 VanDerWaalsContact O-CB 3.22Å; L556-F560 WeakPolarHBondContact O-CB 3.48Å; L556-F560 PolarHBondContact O-N 3.17Å; S557-F560 PolarHBondContact O-N 2.88Å; E558-F560 VanDerWaalsContact C-N 3.35Å; E558-F560 PolarHBondContact O-N 3.05Å; F560-E562 VanDerWaalsContact C-N 3.33Å; F560-E562 PolarHBondContact O-N 3.15Å; F560-F563 HydrophobicContact CD2-CD1 4.07Å; F560-F563 AromaticContact CE2-CD1 3.73Å; F560-F563 HydrophobicContact CE2-CD1 3.73Å; F560-F563 AromaticContact CE2-CE1 3.98Å; F560-F563 HydrophobicContact CE2-CE1 3.98Å; F560-F563 HydrophobicContact CZ-CD1 4.22Å; F560-F563 HydrophobicContact CZ-CE1 4.38Å; F560-F563 PolarHBondContact O-N 3.11Å; F560-A564 VanDerWaalsContact O-CB 3.3Å; F560-A564 WeakPolarHBondContact O-CB 3.37Å; F560-A564 PolarHBondContact O-N 3.42Å; F560-I614 HydrophobicContact CE1-CG2 4.2Å; F560-I614 HydrophobicContact CZ-CG1 4.27Å; F560-I614 HydrophobicContact CZ-CG2 4.44Å; F560-R617 HydrophobicContact CD1-CG 4.02Å; F560-R617 HydrophobicContact CD2-CG 4.21Å; F560-R617 HydrophobicContact CE1-CB 3.77Å; F560-R617 HydrophobicContact CE1-CG 3.48Å; F560-R617 VanDerWaalsContact CE1-CG 3.48Å; F560-R617 HydrophobicContact CE2-CG 3.7Å; F560-R617 HydrophobicContact CG-CG 4.36Å; F560-R617 HydrophobicContact CZ-CB 3.71Å; F560-R617 HydrophobicContact CZ-CG 3.31Å; F560-T618 WeakPolarHBondContact CE1-OG1 3.48Å; F560-L621 HydrophobicContact CB-CD1 3.68Å; F560-L621 HydrophobicContact CD1-CD1 4.02Å; F560-L621 HydrophobicContact CG-CD1 3.83Å
561N94.8Very high94.8Very high52 Ų5262.1 Ų62.128%0.27831%0.305SS..Hα-helixtrans-65.8-34.3173.9-70.6-30.1000112.6S557 E558 R565S557-N561 WeakPolarHBondContact O-CB 3.43Å; S557-N561 PolarHBondContact O-N 2.99Å; S557-N561 PolarHBondContact O-ND2 3.44Å; E558-N561 PolarHBondContact O-N 2.97Å; N561-R565 WeakPolarHBondContact O-CD 3.46Å; N561-R565 VanDerWaalsContact O-CG 3.29Å; N561-R565 WeakPolarHBondContact O-CG 3.41Å; N561-R565 PolarHBondContact O-N 3.32Å
562E94.7Very high94.9Very high125 Ų12558.1 Ų58.158%0.58429%0.291SS*.Hα-helixtrans-67-50.7171.5-173171.8-145.900110.6E558 R559 F560 A564 R565 D566E558-E562 PolarHBondContact O-N 3.03Å; E558-E562 VanDerWaalsContact O-N 3.08Å; R559-E562 PolarHBondContact O-N 3.44Å; F560-E562 VanDerWaalsContact C-N 3.33Å; F560-E562 PolarHBondContact O-N 3.15Å; E562-A564 VanDerWaalsContact C-N 3.32Å; E562-A564 PolarHBondContact O-N 2.9Å; E562-R565 PolarHBondContact O-N 2.82Å; E562-D566 PolarHBondContact O-N 3.4Å
563F96.4Very high94.9Very high32 Ų3262.8 Ų62.814%0.1431%0.313CS..Hα-helixtrans-54.4-43.2174168.1-89.8000113.2R537 V540 R559 F560 T567 I614R537-F563 HydrophobicContact CB-CZ 4.13Å; V540-F563 HydrophobicContact CB-CE1 4.19Å; V540-F563 HydrophobicContact CB-CE2 3.78Å; V540-F563 HydrophobicContact CB-CZ 3.58Å; V540-F563 HydrophobicContact CG1-CD1 4.22Å; V540-F563 HydrophobicContact CG1-CD2 3.96Å; V540-F563 HydrophobicContact CG1-CE1 3.97Å; V540-F563 HydrophobicContact CG1-CE2 3.66Å; V540-F563 HydrophobicContact CG1-CG 4.23Å; V540-F563 HydrophobicContact CG1-CZ 3.69Å; V540-F563 HydrophobicContact CG2-CE2 4.1Å; V540-F563 HydrophobicContact CG2-CZ 4.32Å; R559-F563 WeakPolarHBondContact O-CB 3.29Å; R559-F563 PolarHBondContact O-N 3.34Å; F560-F563 HydrophobicContact CD2-CD1 4.07Å; F560-F563 AromaticContact CE2-CD1 3.73Å; F560-F563 HydrophobicContact CE2-CD1 3.73Å; F560-F563 AromaticContact CE2-CE1 3.98Å; F560-F563 HydrophobicContact CE2-CE1 3.98Å; F560-F563 HydrophobicContact CZ-CD1 4.22Å; F560-F563 HydrophobicContact CZ-CE1 4.38Å; F560-F563 PolarHBondContact O-N 3.11Å; F563-T567 WeakPolarHBondContact O-CB 3.3Å; F563-T567 PolarHBondContact O-N 2.91Å; F563-T567 PolarHBondContact O-OG1 3.42Å; F563-I614 HydrophobicContact CE1-CD1 4.39Å; F563-I614 HydrophobicContact CE1-CG1 4.42Å
564A96Very high95Very high6 Ų666.3 Ų66.35%0.0533%0.326CS..Hα-helixtrans-61.8-51.2179.200000111.1F560 E562 D566 T567 E568 I614F560-A564 VanDerWaalsContact O-CB 3.3Å; F560-A564 WeakPolarHBondContact O-CB 3.37Å; F560-A564 PolarHBondContact O-N 3.42Å; E562-A564 VanDerWaalsContact C-N 3.32Å; E562-A564 PolarHBondContact O-N 2.9Å; A564-D566 PolarHBondContact O-N 3.12Å; A564-T567 PolarHBondContact O-N 3.2Å; A564-E568 WeakPolarHBondContact O-CB 3.45Å; A564-E568 WeakPolarHBondContact O-CG 3.4Å; A564-E568 PolarHBondContact O-N 2.72Å; A564-I614 HydrophobicContact CB-CG2 3.54Å
565R95.6Very high95.2Very high183 Ų18365.6 Ų65.669%0.69132%0.321SS*.Hα-helixtrans-60.8-44.4178.1-72.1170.7179.2177.61.6112.8N561 E562 T567 A569N561-R565 WeakPolarHBondContact O-CD 3.46Å; N561-R565 VanDerWaalsContact O-CG 3.29Å; N561-R565 WeakPolarHBondContact O-CG 3.41Å; N561-R565 PolarHBondContact O-N 3.32Å; E562-R565 PolarHBondContact O-N 2.82Å; R565-T567 VanDerWaalsContact C-N 3.31Å; R565-A569 VanDerWaalsContact O-CB 3.29Å; R565-A569 WeakPolarHBondContact O-CB 3.22Å; R565-A569 PolarHBondContact O-N 3.25Å
566D95.8Very high95.3Very high95 Ų9564.9 Ų64.951%0.50833%0.326SS..Hα-helixtrans-64.6-39.3177.8-77.7-0.2000111.2E562 A564 V570E562-D566 PolarHBondContact O-N 3.4Å; A564-D566 PolarHBondContact O-N 3.12Å; D566-V570 WeakPolarHBondContact O-CB 3.47Å; D566-V570 WeakPolarHBondContact O-CG2 3.35Å; D566-V570 PolarHBondContact O-N 2.8Å
567T96.2Very high95.4Very high0 Ų068.8 Ų68.80%034%0.342CS..Hα-helixtrans-69.3-46.9178.4-570000110.8W533 R537 F563 A564 R565 A569 G571 W607 L610 I614W533-T567 HydrophobicContact CH2-CG2 3.84Å; W533-T567 HydrophobicContact CZ3-CG2 4.44Å; R537-T567 HydrophobicContact CB-CG2 4.23Å; R537-T567 HydrophobicContact CG-CG2 4.07Å; F563-T567 WeakPolarHBondContact O-CB 3.3Å; F563-T567 PolarHBondContact O-N 2.91Å; F563-T567 PolarHBondContact O-OG1 3.42Å; A564-T567 PolarHBondContact O-N 3.2Å; R565-T567 VanDerWaalsContact C-N 3.31Å; T567-A569 PolarHBondContact O-N 3.42Å; T567-G571 VanDerWaalsContact O-CA 3.3Å; T567-G571 WeakPolarHBondContact O-CA 3.49Å; T567-G571 PolarHBondContact O-N 2.98Å; T567-W607 HydrophobicContact CG2-CH2 4.4Å; T567-W607 HydrophobicContact CG2-CZ3 4.25Å; T567-W607 WeakPolarHBondContact O-CH2 3.33Å; T567-L610 HydrophobicContact CG2-CD2 4.06Å; T567-I614 HydrophobicContact CG2-CD1 3.98Å
568E95.1Very high95.5Very high98 Ų9868.7 Ų68.746%0.45834%0.341SS..Hα-helixtrans-57-46173.8-78.9172.5-144.400112.4A564 G572 L611A564-E568 WeakPolarHBondContact O-CB 3.45Å; A564-E568 WeakPolarHBondContact O-CG 3.4Å; A564-E568 PolarHBondContact O-N 2.72Å; E568-G572 WeakPolarHBondContact O-CA 3.47Å; E568-G572 PolarHBondContact O-N 3.34Å; E568-L611 HydrophobicContact CG-CD2 3.71Å
569A94.4Very high95.6Very high65 Ų6564.8 Ų64.854%0.53732%0.324SS..Hα-helixtrans-67.1-52.5-178.400000112.4R565 T567 E573R565-A569 VanDerWaalsContact O-CB 3.29Å; R565-A569 WeakPolarHBondContact O-CB 3.22Å; R565-A569 PolarHBondContact O-N 3.25Å; T567-A569 PolarHBondContact O-N 3.42Å; A569-E573 PolarHBondContact O-N 2.81Å
570V94.6Very high95.7Very high72 Ų7258.6 Ų58.644%0.43631%0.309SS..Hα-helixtrans-73.3-41.3-177.2176.20000111.5W533 D566 R574W533-V570 HydrophobicContact CZ2-CB 4.36Å; W533-V570 HydrophobicContact CZ2-CG1 4.1Å; D566-V570 WeakPolarHBondContact O-CB 3.47Å; D566-V570 WeakPolarHBondContact O-CG2 3.35Å; D566-V570 PolarHBondContact O-N 2.8Å; V570-R574 WeakPolarHBondContact O-CB 3.48Å; V570-R574 WeakPolarHBondContact O-CG 3.33Å; V570-R574 PolarHBondContact O-N 2.7Å; V570-R574 VanDerWaalsContact O-N 3.09Å
571G93.8Very high95.6Very high0 Ų060.9 Ų60.90%032%0.321CS..Hα-helixtrans-66.5-46.5177.900000111.6W533 T567 E573 R574 V575W533-G571 VanDerWaalsContact CH2-CA 3.46Å; T567-G571 VanDerWaalsContact O-CA 3.3Å; T567-G571 WeakPolarHBondContact O-CA 3.49Å; T567-G571 PolarHBondContact O-N 2.98Å; G571-E573 PolarHBondContact O-N 2.97Å; G571-R574 PolarHBondContact O-N 3.01Å; G571-V575 WeakPolarHBondContact O-CB 3.43Å; G571-V575 VanDerWaalsContact O-CG2 3.29Å; G571-V575 WeakPolarHBondContact O-CG2 3.36Å; G571-V575 PolarHBondContact O-N 2.87Å
572G94.3Very high95.6Very high28 Ų2858.5 Ų58.529%0.28931%0.309SS..Hα-helixtrans-58.3-4317700000113.2E568 A576E568-G572 WeakPolarHBondContact O-CA 3.47Å; E568-G572 PolarHBondContact O-N 3.34Å; G572-A576 WeakPolarHBondContact O-CB 3.39Å; G572-A576 PolarHBondContact O-N 3.22Å
573E95.7Very high95.6Very high152 Ų15256 Ų5671%0.7130%0.299SS*.Hα-helixtrans-65.2-45.8174.8-172.2-177.5172.200112A569 G571 A576 K577A569-E573 PolarHBondContact O-N 2.81Å; G571-E573 PolarHBondContact O-N 2.97Å; E573-A576 PolarHBondContact O-N 2.9Å; E573-K577 WeakPolarHBondContact O-CB 3.49Å; E573-K577 PolarHBondContact O-N 3.39Å
574R96.8Very high95.6Very high74 Ų7459.6 Ų59.628%0.27932%0.32SS..Hα-helixtrans-65.1-46.4-179.8-73.2-178.571.4-159.7-2.2112.2D529 L530 V570 G571 K577 V578D529-R574 PolarHBondContact O-NH2 3.36Å; L530-R574 HydrophobicContact CD1-CB 3.78Å; L530-R574 HydrophobicContact CD2-CB 4.05Å; V570-R574 WeakPolarHBondContact O-CB 3.48Å; V570-R574 WeakPolarHBondContact O-CG 3.33Å; V570-R574 PolarHBondContact O-N 2.7Å; V570-R574 VanDerWaalsContact O-N 3.09Å; G571-R574 PolarHBondContact O-N 3.01Å; R574-K577 WeakPolarHBondContact O-CB 3.3Å; R574-K577 PolarHBondContact O-N 2.87Å; R574-V578 WeakPolarHBondContact O-CG2 3.34Å; R574-V578 PolarHBondContact O-N 3.13Å
575V97.3Very high95.5Very high5 Ų560 Ų603%0.0332%0.321CS..Hα-helixtrans-61.3-44.7176172.40000110.1L530 G571 K577 V578 N579 N604 W607L530-V575 HydrophobicContact CD2-CB 4.48Å; L530-V575 HydrophobicContact CD2-CG2 3.82Å; L530-V575 HydrophobicContact CG-CG2 4.45Å; G571-V575 WeakPolarHBondContact O-CB 3.43Å; G571-V575 VanDerWaalsContact O-CG2 3.29Å; G571-V575 WeakPolarHBondContact O-CG2 3.36Å; G571-V575 PolarHBondContact O-N 2.87Å; V575-K577 PolarHBondContact O-N 3.4Å; V575-V578 PolarHBondContact O-N 3.22Å; V575-N579 WeakPolarHBondContact CG1-ND2 3.49Å; V575-N579 VanDerWaalsContact O-CB 3.22Å; V575-N579 WeakPolarHBondContact O-CB 3.27Å; V575-N579 PolarHBondContact O-N 2.92Å; V575-N579 PolarHBondContact O-ND2 3.28Å; V575-N604 WeakPolarHBondContact CG1-OD1 3.09Å; V575-W607 HydrophobicContact CG1-CG 4.4Å; V575-W607 HydrophobicContact CG2-CB 4.18Å; V575-W607 HydrophobicContact CG2-CD2 3.96Å; V575-W607 HydrophobicContact CG2-CE3 4.4Å; V575-W607 HydrophobicContact CG2-CG 3.83Å
576A96.1Very high95.4Very high61 Ų6154.1 Ų54.150%0.50430%0.303SS..Hα-helixtrans-62.1-39175.900000113.1G572 E573 G580G572-A576 WeakPolarHBondContact O-CB 3.39Å; G572-A576 PolarHBondContact O-N 3.22Å; E573-A576 PolarHBondContact O-N 2.9Å; A576-G580 PolarHBondContact O-N 3.44Å
577K96.2Very high95.3Very high114 Ų11457.5 Ų57.550%0.49632%0.316SS..Hα-helixtrans-62.8-49.7174.5-178.9-158.3170.3-1530111.4E526 E573 R574 V575 G580 I581E526-K577 IonicContact OE2-NZ 3.4Å; E526-K577 PolarHBondContact OE2-NZ 2.83Å; E573-K577 WeakPolarHBondContact O-CB 3.49Å; E573-K577 PolarHBondContact O-N 3.39Å; R574-K577 WeakPolarHBondContact O-CB 3.3Å; R574-K577 PolarHBondContact O-N 2.87Å; V575-K577 PolarHBondContact O-N 3.4Å; K577-G580 PolarHBondContact O-N 2.8Å; K577-I581 HydrophobicContact CG-CD1 4.34Å; K577-I581 WeakPolarHBondContact O-CG1 3.24Å; K577-I581 PolarHBondContact O-N 2.81Å
578V96.8Very high95Very high5 Ų561.6 Ų61.63%0.0335%0.349CS..Hα-helixtrans-65.2-45.6-179.2174.70000110.8L523 E526 V527 L530 R574 V575 G580 I581 A582 L603L523-V578 HydrophobicContact CD1-CG1 3.82Å; E526-V578 HydrophobicContact CB-CG2 4.2Å; V527-V578 HydrophobicContact CG2-CG1 3.6Å; L530-V578 HydrophobicContact CD2-CB 4.38Å; L530-V578 HydrophobicContact CD2-CG2 3.94Å; R574-V578 WeakPolarHBondContact O-CG2 3.34Å; R574-V578 PolarHBondContact O-N 3.13Å; V575-V578 PolarHBondContact O-N 3.22Å; V578-G580 VanDerWaalsContact C-N 3.3Å; V578-G580 PolarHBondContact O-N 3.45Å; V578-I581 PolarHBondContact O-N 2.81Å; V578-I581 VanDerWaalsContact O-N 3.13Å; V578-A582 PolarHBondContact O-N 3.14Å; V578-L603 HydrophobicContact CB-CD2 4.07Å; V578-L603 HydrophobicContact CG1-CD2 3.55Å
579N96.1Very high94.8Very high24 Ų2459.5 Ų59.513%0.12835%0.354CS..Hα-helixtrans-55.5-44.3171.9-74.8-15.4000111.9V575 I581 A582 D583 K600 N604V575-N579 WeakPolarHBondContact CG1-ND2 3.49Å; V575-N579 VanDerWaalsContact O-CB 3.22Å; V575-N579 WeakPolarHBondContact O-CB 3.27Å; V575-N579 PolarHBondContact O-N 2.92Å; V575-N579 PolarHBondContact O-ND2 3.28Å; N579-I581 PolarHBondContact O-N 2.99Å; N579-A582 PolarHBondContact O-N 2.87Å; N579-D583 WeakPolarHBondContact O-CB 3.35Å; N579-D583 PolarHBondContact O-N 3.35Å; N579-K600 WeakPolarHBondContact OD1-CG 3.3Å; N579-N604 PolarHBondContact ND2-ND2 2.78Å; N579-N604 PolarHBondContact ND2-OD1 3.36Å; N579-N604 PolarHBondContact OD1-ND2 3.24Å
580G96.1Very high94.7Very high28 Ų2856.8 Ų56.829%0.28933%0.33SS..Hα-helixtrans-64.4-35.5177.300000113.4A576 K577 V578 N584A576-G580 PolarHBondContact O-N 3.44Å; K577-G580 PolarHBondContact O-N 2.8Å; V578-G580 VanDerWaalsContact C-N 3.3Å; V578-G580 PolarHBondContact O-N 3.45Å; G580-N584 WeakPolarHBondContact O-CB 3.38Å; G580-N584 VanDerWaalsContact O-CG 3.23Å; G580-N584 PolarHBondContact O-N 3.39Å; G580-N584 VanDerWaalsContact O-N 3.14Å; G580-N584 PolarHBondContact O-ND2 3.2Å
581I94.9Very high94.5Very high60 Ų6056.5 Ų56.531%0.30833%0.332SS..Hα-helixtrans-66.7-48.4172.7-65.1163.8000109.7L523 K577 V578 N579 D583 N584 L585L523-I581 HydrophobicContact CD1-CB 4.23Å; L523-I581 HydrophobicContact CD1-CG2 3.96Å; K577-I581 HydrophobicContact CG-CD1 4.34Å; K577-I581 WeakPolarHBondContact O-CG1 3.24Å; K577-I581 PolarHBondContact O-N 2.81Å; V578-I581 PolarHBondContact O-N 2.81Å; V578-I581 VanDerWaalsContact O-N 3.13Å; N579-I581 PolarHBondContact O-N 2.99Å; I581-D583 PolarHBondContact O-N 3.25Å; I581-N584 PolarHBondContact O-N 2.85Å; I581-L585 HydrophobicContact CG2-CD1 4.23Å; I581-L585 WeakPolarHBondContact O-CG 3.34Å; I581-L585 PolarHBondContact O-N 3.09Å; I581-L585 VanDerWaalsContact O-N 3.08Å
582A95.5Very high94.4Very high2 Ų258.6 Ų58.62%0.01734%0.343CS..Hα-helixtrans-57.6-48.3177.900000112.4L523 V578 N579 N584 L585 I586 I596 K600L523-A582 HydrophobicContact CD2-CB 4.02Å; V578-A582 PolarHBondContact O-N 3.14Å; N579-A582 PolarHBondContact O-N 2.87Å; A582-N584 PolarHBondContact O-N 2.9Å; A582-L585 PolarHBondContact O-N 2.79Å; A582-I586 VanDerWaalsContact O-CG1 3.31Å; A582-I586 WeakPolarHBondContact O-CG1 3.47Å; A582-I586 PolarHBondContact O-N 2.89Å; A582-I596 HydrophobicContact CB-CG2 3.63Å; A582-K600 HydrophobicContact CB-CB 4.23Å; A582-K600 HydrophobicContact CB-CD 4.15Å
583D95.3Very high94.4Very high72 Ų7258.4 Ų58.439%0.38534%0.337SS..Hα-helixtrans-62.6-39.6178.7-75.1-39.3000112.5N579 I581 I586 Q587 K600N579-D583 WeakPolarHBondContact O-CB 3.35Å; N579-D583 PolarHBondContact O-N 3.35Å; I581-D583 PolarHBondContact O-N 3.25Å; D583-I586 PolarHBondContact O-N 2.86Å; D583-Q587 VanDerWaalsContact O-CB 3.24Å; D583-Q587 WeakPolarHBondContact O-CB 3.49Å; D583-Q587 PolarHBondContact O-N 3.24Å; D583-K600 IonicContact OD1-NZ 2.69Å; D583-K600 PolarHBondContact OD1-NZ 2.67Å; D583-K600 IonicContact OD2-NZ 3.81Å; D583-K600 PolarHBondContact OD2-NZ 3.19Å
584N94.8Very high94.3Very high108 Ų10855 Ų5558%0.57834%0.335SS*.Hα-helixtrans-64.2-39.8175.6-77.6-46.4000112G580 I581 A582 A588G580-N584 WeakPolarHBondContact O-CB 3.38Å; G580-N584 VanDerWaalsContact O-CG 3.23Å; G580-N584 PolarHBondContact O-N 3.39Å; G580-N584 VanDerWaalsContact O-N 3.14Å; G580-N584 PolarHBondContact O-ND2 3.2Å; I581-N584 PolarHBondContact O-N 2.85Å; A582-N584 PolarHBondContact O-N 2.9Å; N584-A588 VanDerWaalsContact O-CB 3.28Å; N584-A588 WeakPolarHBondContact O-CB 3.29Å; N584-A588 PolarHBondContact O-N 3.46Å
585L93.7Very high94.1Very high15 Ų1553.9 Ų53.98%0.07934%0.336CS..Hα-helixtrans-68.5-43.1176.7-66.1176000111.7Q519 L523 I581 A582 A588 G589 H590 I596Q519-L585 HydrophobicContact CB-CD1 4.32Å; Q519-L585 HydrophobicContact CB-CD2 3.98Å; Q519-L585 HydrophobicContact CG-CD2 4.35Å; Q519-L585 VanDerWaalsContact OE1-CD2 3.26Å; L523-L585 HydrophobicContact CD2-CD1 4.04Å; I581-L585 HydrophobicContact CG2-CD1 4.23Å; I581-L585 WeakPolarHBondContact O-CG 3.34Å; I581-L585 PolarHBondContact O-N 3.09Å; I581-L585 VanDerWaalsContact O-N 3.08Å; A582-L585 PolarHBondContact O-N 2.79Å; L585-A588 PolarHBondContact O-N 2.93Å; L585-G589 PolarHBondContact O-N 3.44Å; L585-H590 HydrophobicContact CB-CB 4.19Å; L585-H590 WeakPolarHBondContact O-CB 3.16Å; L585-H590 PolarHBondContact O-N 2.94Å; L585-H590 VanDerWaalsContact O-N 3.13Å; L585-I596 HydrophobicContact CB-CD1 3.93Å; L585-I596 HydrophobicContact CD1-CD1 3.96Å
586I93.9Very high94Very high58 Ų5853.6 Ų53.630%0.29734%0.335SS..Hα-helixtrans-62-45.4175.3-66.8164.5000110.5A582 D583 A588 G589 I596 A597A582-I586 VanDerWaalsContact O-CG1 3.31Å; A582-I586 WeakPolarHBondContact O-CG1 3.47Å; A582-I586 PolarHBondContact O-N 2.89Å; D583-I586 PolarHBondContact O-N 2.86Å; I586-A588 VanDerWaalsContact C-N 3.31Å; I586-A588 PolarHBondContact O-N 3.47Å; I586-G589 PolarHBondContact O-N 3.33Å; I586-I596 HydrophobicContact CD1-CG2 3.93Å; I586-I596 HydrophobicContact CG1-CB 4.36Å; I586-I596 HydrophobicContact CG1-CG2 3.89Å; I586-A597 HydrophobicContact CD1-CB 4.06Å
587Q93.1Very high94Very high167 Ų16752.2 Ų52.278%0.7832%0.323SS*.Hα-helixtrans-66.1-32.2178.5-173.3176.310.100112.7D583 G589D583-Q587 VanDerWaalsContact O-CB 3.24Å; D583-Q587 WeakPolarHBondContact O-CB 3.49Å; D583-Q587 PolarHBondContact O-N 3.24Å; Q587-G589 PolarHBondContact O-N 3.48Å
588A90.9Very high93.9Very high85 Ų8552.3 Ų52.370%0.70233%0.325SS*.THydrogen-bonded Turntrans-71-11.4173.300000113.5N584 L585 I586N584-A588 VanDerWaalsContact O-CB 3.28Å; N584-A588 WeakPolarHBondContact O-CB 3.29Å; N584-A588 PolarHBondContact O-N 3.46Å; L585-A588 PolarHBondContact O-N 2.93Å; I586-A588 VanDerWaalsContact C-N 3.31Å; I586-A588 PolarHBondContact O-N 3.47Å
589G90.1Very high93.9Very high55 Ų5555 Ų5557%0.56734%0.335SS*.THydrogen-bonded Turntrans82.127.518000000114.1L585 I586 Q587L585-G589 PolarHBondContact O-N 3.44Å; I586-G589 PolarHBondContact O-N 3.33Å; Q587-G589 PolarHBondContact O-N 3.48Å
590H92.8Very high93.9Very high7 Ų755.7 Ų55.73%0.03234%0.337CS..  trans-50.4137.7-179.4-174.6-77.7000112.5E516 L585 D592 S593 I596E516-H590 VanDerWaalsContact C-NE2 3.32Å; E516-H590 WeakPolarHBondContact CA-NE2 3.45Å; E516-H590 WeakPolarHBondContact CB-NE2 3.35Å; E516-H590 PolarHBondContact O-NE2 3.32Å; L585-H590 HydrophobicContact CB-CB 4.19Å; L585-H590 WeakPolarHBondContact O-CB 3.16Å; L585-H590 PolarHBondContact O-N 2.94Å; L585-H590 VanDerWaalsContact O-N 3.13Å; H590-D592 VanDerWaalsContact C-N 3.27Å; H590-D592 IonicContact CE1-OD2 2.77Å; H590-D592 PolarHBondContact ND1-N 2.88Å; H590-D592 VanDerWaalsContact ND1-N 3.11Å; H590-D592 PolarHBondContact O-N 3.34Å; H590-D592 VanDerWaalsContact O-N 3.15Å; H590-S593 WeakPolarHBondContact O-CB 3.44Å; H590-S593 PolarHBondContact O-N 2.76Å; H590-S593 PolarHBondContact O-OG 2.88Å; H590-I596 HydrophobicContact CB-CD1 4.34Å
591S90.4Very high94Very high66 Ų6659.3 Ų59.346%0.46235%0.35SS..THydrogen-bonded Turntrans-55.9-38.3-173.149.10000114.2R440 E516 S593R440-S591 PolarHBondContact NH1-OG 3.36Å; R440-S591 PolarHBondContact NH2-OG 3.26Å; E516-S591 WeakPolarHBondContact OE2-CB 3.38Å; E516-S591 PolarHBondContact OE2-N 2.88Å; E516-S591 PolarHBondContact OE2-OG 2.96Å; S591-S593 PolarHBondContact O-N 3.29Å
592D92.6Very high94Very high44 Ų4459.5 Ų59.524%0.23535%0.351CS..THydrogen-bonded Turntrans-93.626.4179.1-54.6-87.7000114.5R440 L520 H590 A594 T595 I596R440-D592 IonicContact NH1-OD1 2.74Å; R440-D592 IonicContact NH1-OD2 2.68Å; R440-D592 PolarHBondContact NH1-OD2 3.03Å; L520-D592 HydrophobicContact CD1-CB 4.03Å; L520-D592 HydrophobicContact CD2-CB 3.86Å; H590-D592 VanDerWaalsContact C-N 3.27Å; H590-D592 IonicContact CE1-OD2 2.77Å; H590-D592 PolarHBondContact ND1-N 2.88Å; H590-D592 VanDerWaalsContact ND1-N 3.11Å; H590-D592 PolarHBondContact O-N 3.34Å; H590-D592 VanDerWaalsContact O-N 3.15Å; D592-A594 PolarHBondContact O-N 3.46Å; D592-A594 VanDerWaalsContact O-N 3.08Å; D592-T595 PolarHBondContact O-N 2.82Å; D592-I596 PolarHBondContact O-N 3.46Å; D592-I596 VanDerWaalsContact O-N 3.1Å
593S93.7Very high94.1Very high25 Ų2559.4 Ų59.418%0.17535%0.351CS..Hα-helixtrans-53.3-30.4-177.6-70.70000114.7H590 S591 A597H590-S593 WeakPolarHBondContact O-CB 3.44Å; H590-S593 PolarHBondContact O-N 2.76Å; H590-S593 PolarHBondContact O-OG 2.88Å; S591-S593 PolarHBondContact O-N 3.29Å; S593-A597 WeakPolarHBondContact O-CB 3.41Å; S593-A597 PolarHBondContact O-N 2.95Å
594A93Very high94.2Very high81 Ų8157.8 Ų57.867%0.66934%0.342SS*.Hα-helixtrans-67.5-44.6177.100000112.1D592 A597 E598D592-A594 PolarHBondContact O-N 3.46Å; D592-A594 VanDerWaalsContact O-N 3.08Å; A594-A597 PolarHBondContact O-N 2.92Å; A594-E598 PolarHBondContact O-N 2.9Å
595T93.1Very high94.3Very high49 Ų4958.6 Ų58.630%0.30134%0.342SS..Hα-helixtrans-65.3-40.2176.1-41.60000111.1D592 A597 E598 W599D592-T595 PolarHBondContact O-N 2.82Å; T595-A597 VanDerWaalsContact C-N 3.31Å; T595-A597 PolarHBondContact O-N 3.02Å; T595-E598 PolarHBondContact O-N 3.35Å; T595-W599 HydrophobicContact CG2-CD2 4.34Å; T595-W599 HydrophobicContact CG2-CH2 4.44Å; T595-W599 HydrophobicContact CG2-CZ2 3.76Å; T595-W599 PolarHBondContact O-N 3.22Å
596I95.8Very high94.5Very high0 Ų059.7 Ų59.70%035%0.351CS..Hα-helixtrans-62.1-40175.8-67173.1000111.1L520 L523 A582 L585 I586 H590 D592 K600L520-I596 HydrophobicContact CD1-CD1 3.88Å; L520-I596 HydrophobicContact CD1-CG1 3.53Å; L523-I596 HydrophobicContact CD2-CB 4.45Å; L523-I596 HydrophobicContact CD2-CG1 4.19Å; L523-I596 HydrophobicContact CD2-CG2 3.69Å; A582-I596 HydrophobicContact CB-CG2 3.63Å; L585-I596 HydrophobicContact CB-CD1 3.93Å; L585-I596 HydrophobicContact CD1-CD1 3.96Å; I586-I596 HydrophobicContact CD1-CG2 3.93Å; I586-I596 HydrophobicContact CG1-CB 4.36Å; I586-I596 HydrophobicContact CG1-CG2 3.89Å; H590-I596 HydrophobicContact CB-CD1 4.34Å; D592-I596 PolarHBondContact O-N 3.46Å; D592-I596 VanDerWaalsContact O-N 3.1Å; I596-K600 VanDerWaalsContact O-CB 3.31Å; I596-K600 WeakPolarHBondContact O-CB 3.45Å; I596-K600 PolarHBondContact O-N 2.73Å
597A94.5Very high94.6Very high31 Ų3157.9 Ų57.926%0.25634%0.34SS..Hα-helixtrans-66.8-41.917500000112I586 S593 A594 T595 K600 D601I586-A597 HydrophobicContact CD1-CB 4.06Å; S593-A597 WeakPolarHBondContact O-CB 3.41Å; S593-A597 PolarHBondContact O-N 2.95Å; A594-A597 PolarHBondContact O-N 2.92Å; T595-A597 VanDerWaalsContact C-N 3.31Å; T595-A597 PolarHBondContact O-N 3.02Å; A597-K600 WeakPolarHBondContact O-CB 3.35Å; A597-K600 PolarHBondContact O-N 2.93Å; A597-D601 WeakPolarHBondContact O-CB 3.31Å; A597-D601 PolarHBondContact O-N 2.95Å
598E95.7Very high94.9Very high116 Ų11654.9 Ų54.954%0.54233%0.326SS..Hα-helixtrans-60.4-47.3175.5-175.9177-179.200112A594 T595 K600 D601 N602A594-E598 PolarHBondContact O-N 2.9Å; T595-E598 PolarHBondContact O-N 3.35Å; E598-K600 VanDerWaalsContact C-N 3.34Å; E598-K600 PolarHBondContact O-N 3.5Å; E598-D601 PolarHBondContact O-N 3.38Å; E598-N602 WeakPolarHBondContact O-CB 3.42Å; E598-N602 PolarHBondContact O-N 3.17Å; E598-N602 PolarHBondContact O-ND2 3.28Å; E598-N602 PolarHBondContact O-OD1 3.07Å
599W96.9Very high95.1Very high61 Ų6154.6 Ų54.623%0.23131%0.313CS..Hα-helixtrans-61.2-41.7174.6-65-15.6000112.5L520 V527 T595 L603L520-W599 HydrophobicContact CD1-CE3 4.44Å; L520-W599 HydrophobicContact CD1-CH2 3.77Å; L520-W599 HydrophobicContact CD1-CZ3 3.52Å; L520-W599 HydrophobicContact CG-CH2 4Å; L520-W599 HydrophobicContact CG-CZ3 4.09Å; V527-W599 HydrophobicContact CG1-CB 4.44Å; V527-W599 HydrophobicContact CG2-CB 4.45Å; T595-W599 HydrophobicContact CG2-CD2 4.34Å; T595-W599 HydrophobicContact CG2-CH2 4.44Å; T595-W599 HydrophobicContact CG2-CZ2 3.76Å; T595-W599 PolarHBondContact O-N 3.22Å; W599-L603 WeakPolarHBondContact O-CB 3.31Å; W599-L603 PolarHBondContact O-N 2.96Å
600K96.3Very high95.5Very high40 Ų4052 Ų5217%0.17429%0.286CS..Hα-helixtrans-60.6-47.8174.9170.8171.4169.8178.20110.9N579 A582 D583 I596 A597 E598 N604N579-K600 WeakPolarHBondContact OD1-CG 3.3Å; A582-K600 HydrophobicContact CB-CB 4.23Å; A582-K600 HydrophobicContact CB-CD 4.15Å; D583-K600 IonicContact OD1-NZ 2.69Å; D583-K600 PolarHBondContact OD1-NZ 2.67Å; D583-K600 IonicContact OD2-NZ 3.81Å; D583-K600 PolarHBondContact OD2-NZ 3.19Å; I596-K600 VanDerWaalsContact O-CB 3.31Å; I596-K600 WeakPolarHBondContact O-CB 3.45Å; I596-K600 PolarHBondContact O-N 2.73Å; A597-K600 WeakPolarHBondContact O-CB 3.35Å; A597-K600 PolarHBondContact O-N 2.93Å; E598-K600 VanDerWaalsContact C-N 3.34Å; E598-K600 PolarHBondContact O-N 3.5Å; K600-N604 WeakPolarHBondContact CG-ND2 3.21Å; K600-N604 PolarHBondContact O-N 3.34Å; K600-N604 PolarHBondContact O-ND2 3.03Å
601D96.5Very high95.7Very high104 Ų10453.8 Ų53.856%0.55630%0.296SS*.Hα-helixtrans-66.8-45.3-176.9-71.8-15000111.1A597 E598 L603 N604 E605A597-D601 WeakPolarHBondContact O-CB 3.31Å; A597-D601 PolarHBondContact O-N 2.95Å; E598-D601 PolarHBondContact O-N 3.38Å; D601-L603 PolarHBondContact O-N 2.91Å; D601-N604 PolarHBondContact O-N 3.3Å; D601-N604 VanDerWaalsContact O-N 3.17Å; D601-E605 PolarHBondContact O-N 2.81Å
602N96Very high96Very high64 Ų6456.8 Ų56.834%0.34230%0.303SS..Hα-helixtrans-59.1-45176.1-66.2-12.8000112.6E598 N604 E605 S606E598-N602 WeakPolarHBondContact O-CB 3.42Å; E598-N602 PolarHBondContact O-N 3.17Å; E598-N602 PolarHBondContact O-ND2 3.28Å; E598-N602 PolarHBondContact O-OD1 3.07Å; N602-N604 VanDerWaalsContact C-N 3.32Å; N602-N604 PolarHBondContact O-N 3.46Å; N602-E605 PolarHBondContact O-N 2.75Å; N602-S606 PolarHBondContact O-N 2.9Å; N602-S606 PolarHBondContact O-OG 3.23Å
603L97.3Very high96.1Very high0 Ų057.9 Ų57.90%031%0.308CS..Hα-helixtrans-61.9-40.1176.4171.564.6000111.7V527 L530 E531 I534 V578 W599 D601 W607V527-L603 HydrophobicContact CG1-CB 4.48Å; V527-L603 HydrophobicContact CG2-CD2 4.41Å; L530-L603 HydrophobicContact CB-CD1 4.28Å; L530-L603 HydrophobicContact CD2-CD1 3.87Å; L530-L603 HydrophobicContact CD2-CD2 3.98Å; L530-L603 HydrophobicContact CD2-CG 4.48Å; L530-L603 HydrophobicContact CG-CD1 3.82Å; E531-L603 HydrophobicContact CG-CD1 4.04Å; I534-L603 HydrophobicContact CD1-CD1 3.73Å; V578-L603 HydrophobicContact CB-CD2 4.07Å; V578-L603 HydrophobicContact CG1-CD2 3.55Å; W599-L603 WeakPolarHBondContact O-CB 3.31Å; W599-L603 PolarHBondContact O-N 2.96Å; D601-L603 PolarHBondContact O-N 2.91Å; L603-W607 VanDerWaalsContact O-CB 3.29Å; L603-W607 WeakPolarHBondContact O-CB 3.26Å; L603-W607 PolarHBondContact O-N 3.02Å
604N97.1Very high96.3Very high38 Ų3856.9 Ų56.920%0.20330%0.301CS..Hα-helixtrans-71.3-35.8177.2-75.1-68000112V575 N579 K600 D601 N602 W607 Q608V575-N604 WeakPolarHBondContact CG1-OD1 3.09Å; N579-N604 PolarHBondContact ND2-ND2 2.78Å; N579-N604 PolarHBondContact ND2-OD1 3.36Å; N579-N604 PolarHBondContact OD1-ND2 3.24Å; K600-N604 WeakPolarHBondContact CG-ND2 3.21Å; K600-N604 PolarHBondContact O-N 3.34Å; K600-N604 PolarHBondContact O-ND2 3.03Å; D601-N604 PolarHBondContact O-N 3.3Å; D601-N604 VanDerWaalsContact O-N 3.17Å; N602-N604 VanDerWaalsContact C-N 3.32Å; N602-N604 PolarHBondContact O-N 3.46Å; N604-W607 PolarHBondContact O-N 3.19Å; N604-Q608 WeakPolarHBondContact O-CG 3.37Å; N604-Q608 PolarHBondContact O-N 3.35Å
605E97.4Very high96.4Very high124 Ų12458.7 Ų58.758%0.57930%0.295SS*.Hα-helixtrans-60.8-53.3172.7-171.9169.3-168.400110.3D601 N602 W607 Q608 D609D601-E605 PolarHBondContact O-N 2.81Å; N602-E605 PolarHBondContact O-N 2.75Å; E605-W607 VanDerWaalsContact C-N 3.25Å; E605-W607 PolarHBondContact O-N 2.91Å; E605-Q608 PolarHBondContact O-N 3.25Å; E605-D609 PolarHBondContact O-N 3.32Å
606S96.6Very high96.4Very high38 Ų3859.9 Ų59.927%0.26630%0.303SS..Hα-helixtrans-60.7-34178-51.50000112.5N602 L610N602-S606 PolarHBondContact O-N 2.9Å; N602-S606 PolarHBondContact O-OG 3.23Å; S606-L610 PolarHBondContact O-N 3.31Å; S606-L610 VanDerWaalsContact O-N 3.13Å
607W97.9Very high96.4Very high20 Ų2060.3 Ų60.38%0.07630%0.304CS..Hα-helixtrans-69.3-38.7173.2178.1-119.8000112.9W533 I534 T567 V575 L603 N604 E605 L610 L611W533-W607 HydrophobicContact CH2-CZ3 4.47Å; W533-W607 HydrophobicContact CZ3-CZ3 4.01Å; I534-W607 HydrophobicContact CD1-CB 4.11Å; I534-W607 HydrophobicContact CD1-CE3 4.3Å; I534-W607 HydrophobicContact CG1-CE3 4.23Å; T567-W607 HydrophobicContact CG2-CH2 4.4Å; T567-W607 HydrophobicContact CG2-CZ3 4.25Å; T567-W607 WeakPolarHBondContact O-CH2 3.33Å; V575-W607 HydrophobicContact CG1-CG 4.4Å; V575-W607 HydrophobicContact CG2-CB 4.18Å; V575-W607 HydrophobicContact CG2-CD2 3.96Å; V575-W607 HydrophobicContact CG2-CE3 4.4Å; V575-W607 HydrophobicContact CG2-CG 3.83Å; L603-W607 VanDerWaalsContact O-CB 3.29Å; L603-W607 WeakPolarHBondContact O-CB 3.26Å; L603-W607 PolarHBondContact O-N 3.02Å; N604-W607 PolarHBondContact O-N 3.19Å; E605-W607 VanDerWaalsContact C-N 3.25Å; E605-W607 PolarHBondContact O-N 2.91Å; W607-L610 HydrophobicContact CE3-CD2 4.02Å; W607-L610 HydrophobicContact CZ3-CD2 3.77Å; W607-L611 HydrophobicContact CH2-CD2 4.09Å; W607-L611 HydrophobicContact CZ2-CD1 4.12Å; W607-L611 HydrophobicContact CZ2-CD2 3.91Å; W607-L611 HydrophobicContact CZ2-CG 4.18Å; W607-L611 WeakPolarHBondContact O-CG 3.37Å; W607-L611 PolarHBondContact O-N 3.15Å
608Q97.6Very high96.4Very high104 Ų10460.8 Ų60.849%0.48630%0.304SS..Hα-helixtrans-67.1-43.3173.1-67.6-47.2-88.200111.6N604 E605 L610 L611 E612N604-Q608 WeakPolarHBondContact O-CG 3.37Å; N604-Q608 PolarHBondContact O-N 3.35Å; E605-Q608 PolarHBondContact O-N 3.25Å; Q608-L610 VanDerWaalsContact C-N 3.31Å; Q608-L610 PolarHBondContact O-N 3.43Å; Q608-L611 CarbonylContact O-C 3.56Å; Q608-L611 WeakPolarHBondContact O-CA 3.4Å; Q608-L611 WeakPolarHBondContact O-CB 3.27Å; Q608-L611 PolarHBondContact O-N 3.24Å; Q608-E612 PolarHBondContact O-N 3.27Å
609D96.9Very high96.3Very high79 Ų7960.7 Ų60.742%0.42230%0.304SS..Hα-helixtrans-57.4-43.5177.7-76.6-6.5000111.7E605 L611 E612 L613E605-D609 PolarHBondContact O-N 3.32Å; D609-L611 PolarHBondContact O-N 3.1Å; D609-E612 PolarHBondContact O-N 2.94Å; D609-L613 WeakPolarHBondContact O-CB 3.37Å; D609-L613 WeakPolarHBondContact O-CG 3.49Å; D609-L613 PolarHBondContact O-N 2.97Å
610L97.4Very high96.1Very high0 Ų062.3 Ų62.30%032%0.315CS..Hα-helixtrans-61.7-39.8173.3174.359.2000112.6I534 R537 E538 A541 T567 S606 W607 Q608 L613 I614I534-L610 HydrophobicContact CB-CD2 4.35Å; I534-L610 HydrophobicContact CG1-CD2 4.34Å; I534-L610 HydrophobicContact CG2-CB 4.1Å; I534-L610 HydrophobicContact CG2-CD2 3.94Å; R537-L610 HydrophobicContact CB-CD1 3.93Å; R537-L610 HydrophobicContact CB-CD2 3.69Å; R537-L610 HydrophobicContact CG-CD2 4.5Å; E538-L610 HydrophobicContact CB-CD1 4.47Å; E538-L610 HydrophobicContact CG-CB 4.23Å; E538-L610 HydrophobicContact CG-CD1 3.92Å; A541-L610 HydrophobicContact CB-CD1 3.94Å; T567-L610 HydrophobicContact CG2-CD2 4.06Å; S606-L610 PolarHBondContact O-N 3.31Å; S606-L610 VanDerWaalsContact O-N 3.13Å; W607-L610 HydrophobicContact CE3-CD2 4.02Å; W607-L610 HydrophobicContact CZ3-CD2 3.77Å; Q608-L610 VanDerWaalsContact C-N 3.31Å; Q608-L610 PolarHBondContact O-N 3.43Å; L610-L613 PolarHBondContact O-N 3.49Å; L610-I614 HydrophobicContact CD1-CD1 3.95Å; L610-I614 HydrophobicContact CD1-CG1 4.2Å; L610-I614 HydrophobicContact CG-CD1 4.02Å; L610-I614 WeakPolarHBondContact O-CB 3.29Å; L610-I614 VanDerWaalsContact O-CG1 3.27Å; L610-I614 WeakPolarHBondContact O-CG1 3.47Å; L610-I614 PolarHBondContact O-N 3.43Å
611L97.2Very high96Very high45 Ų4560.5 Ų60.524%0.23631%0.307CS..Hα-helixtrans-67.4-41176.2-68.7175.6000111.9E568 W607 Q608 D609 L613 I614 E615E568-L611 HydrophobicContact CG-CD2 3.71Å; W607-L611 HydrophobicContact CH2-CD2 4.09Å; W607-L611 HydrophobicContact CZ2-CD1 4.12Å; W607-L611 HydrophobicContact CZ2-CD2 3.91Å; W607-L611 HydrophobicContact CZ2-CG 4.18Å; W607-L611 WeakPolarHBondContact O-CG 3.37Å; W607-L611 PolarHBondContact O-N 3.15Å; Q608-L611 CarbonylContact O-C 3.56Å; Q608-L611 WeakPolarHBondContact O-CA 3.4Å; Q608-L611 WeakPolarHBondContact O-CB 3.27Å; Q608-L611 PolarHBondContact O-N 3.24Å; D609-L611 PolarHBondContact O-N 3.1Å; L611-L613 VanDerWaalsContact C-N 3.34Å; L611-L613 PolarHBondContact O-N 2.66Å; L611-I614 PolarHBondContact O-N 3.03Å; L611-E615 PolarHBondContact O-N 3.19Å
612E96.1Very high95.8Very high129 Ų12957.8 Ų57.860%0.60330%0.299SS*.Hα-helixtrans-63.5-38.6174.2-70-162178.700111.9Q608 D609 E615 T616Q608-E612 PolarHBondContact O-N 3.27Å; D609-E612 PolarHBondContact O-N 2.94Å; E612-E615 PolarHBondContact O-N 3.5Å; E612-T616 VanDerWaalsContact O-CB 3.24Å; E612-T616 WeakPolarHBondContact O-CB 3.43Å; E612-T616 PolarHBondContact O-N 2.81Å; E612-T616 PolarHBondContact O-OG1 3.36Å
613L96.1Very high95.6Very high67 Ų6756.7 Ų56.735%0.35130%0.299SS..Hα-helixtrans-63.1-44.4172.4-74.6172.7000111.6E538 A541 D609 L610 L611 R617E538-L613 HydrophobicContact CB-CD1 4.32Å; E538-L613 HydrophobicContact CG-CD1 4.15Å; A541-L613 HydrophobicContact CB-CB 3.89Å; D609-L613 WeakPolarHBondContact O-CB 3.37Å; D609-L613 WeakPolarHBondContact O-CG 3.49Å; D609-L613 PolarHBondContact O-N 2.97Å; L610-L613 PolarHBondContact O-N 3.49Å; L611-L613 VanDerWaalsContact C-N 3.34Å; L611-L613 PolarHBondContact O-N 2.66Å; L613-R617 WeakPolarHBondContact O-CB 3.49Å; L613-R617 PolarHBondContact O-N 2.97Å
614I95.9Very high95.4Very high4 Ų457.1 Ų57.12%0.02130%0.302CS..Hα-helixtrans-62.6-44.6176.4-73.1168.3000111A541 F560 F563 A564 T567 L610 L611 T618A541-I614 HydrophobicContact CB-CG1 3.83Å; F560-I614 HydrophobicContact CE1-CG2 4.2Å; F560-I614 HydrophobicContact CZ-CG1 4.27Å; F560-I614 HydrophobicContact CZ-CG2 4.44Å; F563-I614 HydrophobicContact CE1-CD1 4.39Å; F563-I614 HydrophobicContact CE1-CG1 4.42Å; A564-I614 HydrophobicContact CB-CG2 3.54Å; T567-I614 HydrophobicContact CG2-CD1 3.98Å; L610-I614 HydrophobicContact CD1-CD1 3.95Å; L610-I614 HydrophobicContact CD1-CG1 4.2Å; L610-I614 HydrophobicContact CG-CD1 4.02Å; L610-I614 WeakPolarHBondContact O-CB 3.29Å; L610-I614 VanDerWaalsContact O-CG1 3.27Å; L610-I614 WeakPolarHBondContact O-CG1 3.47Å; L610-I614 PolarHBondContact O-N 3.43Å; L611-I614 PolarHBondContact O-N 3.03Å; I614-T618 WeakPolarHBondContact O-CB 3.46Å; I614-T618 PolarHBondContact O-N 3.34Å; I614-T618 PolarHBondContact O-OG1 3.47Å
615E95.9Very high95.2Very high119 Ų11959 Ų5956%0.55631%0.306SS*.Hα-helixtrans-63.9-52.2177.6-170.4-17717100110.8L611 E612 R617 T618 Q619L611-E615 PolarHBondContact O-N 3.19Å; E612-E615 PolarHBondContact O-N 3.5Å; E615-R617 VanDerWaalsContact C-N 3.27Å; E615-R617 PolarHBondContact O-N 2.93Å; E615-T618 WeakPolarHBondContact O-CB 3.41Å; E615-T618 PolarHBondContact O-N 3.37Å; E615-Q619 HydrophobicContact CG-CG 4.43Å; E615-Q619 WeakPolarHBondContact O-CG 3.22Å; E615-Q619 PolarHBondContact O-N 2.82Å; E615-Q619 PolarHBondContact OE1-NE2 3.5Å
616T94.4Very high95Very high74 Ų7457.4 Ų57.445%0.45430%0.299SS..Hα-helixtrans-53.3-47.1178.4-61.30000110.7E612 T618 Q619 M620E612-T616 VanDerWaalsContact O-CB 3.24Å; E612-T616 WeakPolarHBondContact O-CB 3.43Å; E612-T616 PolarHBondContact O-N 2.81Å; E612-T616 PolarHBondContact O-OG1 3.36Å; T616-T618 PolarHBondContact O-N 2.9Å; T616-Q619 PolarHBondContact O-N 2.9Å; T616-M620 HydrophobicContact CG2-SD 4.34Å; T616-M620 VanDerWaalsContact O-CG 3.31Å; T616-M620 WeakPolarHBondContact O-CG 3.24Å; T616-M620 PolarHBondContact O-N 3.21Å
617R95.1Very high94.8Very high9 Ų956 Ų563%0.03429%0.289CS..Hα-helixtrans-64-40.6178.9179.859.3174.9148.43.1112.7A541 S543 E545 F560 L613 E615 M620 L621A541-R617 WeakPolarHBondContact O-CB 3.43Å; A541-R617 VanDerWaalsContact O-CG 3.26Å; A541-R617 WeakPolarHBondContact O-CG 3.4Å; S543-R617 VanDerWaalsContact O-CD 3.31Å; S543-R617 WeakPolarHBondContact O-CD 3.32Å; S543-R617 PolarHBondContact O-NE 3.49Å; S543-R617 PolarHBondContact O-NH1 3.29Å; E545-R617 PolarHBondContact O-NH1 3.45Å; E545-R617 PolarHBondContact O-NH2 3.08Å; F560-R617 HydrophobicContact CD1-CG 4.02Å; F560-R617 HydrophobicContact CD2-CG 4.21Å; F560-R617 HydrophobicContact CE1-CB 3.77Å; F560-R617 HydrophobicContact CE1-CG 3.48Å; F560-R617 VanDerWaalsContact CE1-CG 3.48Å; F560-R617 HydrophobicContact CE2-CG 3.7Å; F560-R617 HydrophobicContact CG-CG 4.36Å; F560-R617 HydrophobicContact CZ-CB 3.71Å; F560-R617 HydrophobicContact CZ-CG 3.31Å; L613-R617 WeakPolarHBondContact O-CB 3.49Å; L613-R617 PolarHBondContact O-N 2.97Å; E615-R617 VanDerWaalsContact C-N 3.27Å; E615-R617 PolarHBondContact O-N 2.93Å; R617-M620 PolarHBondContact O-N 2.97Å; R617-L621 HydrophobicContact CG-CD1 4.37Å; R617-L621 WeakPolarHBondContact O-CG 3.47Å; R617-L621 PolarHBondContact O-N 3.11Å
618T94.5Very high94.7Very high42 Ų4256.7 Ų56.726%0.25829%0.292SS..Hα-helixtrans-62.7-45.8175.8-590000111F560 I614 E615 T616 M620 L621 A622F560-T618 WeakPolarHBondContact CE1-OG1 3.48Å; I614-T618 WeakPolarHBondContact O-CB 3.46Å; I614-T618 PolarHBondContact O-N 3.34Å; I614-T618 PolarHBondContact O-OG1 3.47Å; E615-T618 WeakPolarHBondContact O-CB 3.41Å; E615-T618 PolarHBondContact O-N 3.37Å; T616-T618 PolarHBondContact O-N 2.9Å; T618-M620 PolarHBondContact O-N 3.23Å; T618-L621 PolarHBondContact O-N 3.25Å; T618-A622 WeakPolarHBondContact O-CB 3.46Å; T618-A622 PolarHBondContact O-N 3.35Å
619Q93.6Very high94.5Very high113 Ų11354.6 Ų54.653%0.52828%0.282SS..Hα-helixtrans-61.6-43.3175.7-65.7-178.817.200111.7E615 T616 A622 A623E615-Q619 HydrophobicContact CG-CG 4.43Å; E615-Q619 WeakPolarHBondContact O-CG 3.22Å; E615-Q619 PolarHBondContact O-N 2.82Å; E615-Q619 PolarHBondContact OE1-NE2 3.5Å; T616-Q619 PolarHBondContact O-N 2.9Å; Q619-A622 PolarHBondContact O-N 3Å; Q619-A623 PolarHBondContact O-N 2.95Å
620M92Very high94.4Very high96 Ų9650.9 Ų50.947%0.47326%0.262SS..Hα-helixtrans-63.9-41.3176.9-70.6-176.682.100112.9L546 T616 R617 T618 S624L546-M620 HydrophobicContact CD1-CE 4.35Å; L546-M620 HydrophobicContact CD2-CB 3.87Å; L546-M620 HydrophobicContact CD2-CE 4.45Å; T616-M620 HydrophobicContact CG2-SD 4.34Å; T616-M620 VanDerWaalsContact O-CG 3.31Å; T616-M620 WeakPolarHBondContact O-CG 3.24Å; T616-M620 PolarHBondContact O-N 3.21Å; R617-M620 PolarHBondContact O-N 2.97Å; T618-M620 PolarHBondContact O-N 3.23Å; M620-S624 WeakPolarHBondContact O-CB 3.38Å; M620-S624 PolarHBondContact O-N 2.98Å
621L94.4Very high94.3Very high1 Ų152.3 Ų52.31%0.00527%0.268CS..Hα-helixtrans-66.8-38.8175.2-76.6172000111.9L546 V553 L556 F560 R617 T618 S624 R625L546-L621 HydrophobicContact CD2-CD2 4.48Å; V553-L621 HydrophobicContact CG2-CD2 4.32Å; L556-L621 HydrophobicContact CD2-CD2 3.84Å; L556-L621 HydrophobicContact CG-CD1 4.49Å; L556-L621 HydrophobicContact CG-CD2 3.95Å; F560-L621 HydrophobicContact CB-CD1 3.68Å; F560-L621 HydrophobicContact CD1-CD1 4.02Å; F560-L621 HydrophobicContact CG-CD1 3.83Å; R617-L621 HydrophobicContact CG-CD1 4.37Å; R617-L621 WeakPolarHBondContact O-CG 3.47Å; R617-L621 PolarHBondContact O-N 3.11Å; T618-L621 PolarHBondContact O-N 3.25Å; L621-S624 PolarHBondContact O-N 3.3Å; L621-R625 WeakPolarHBondContact O-CB 3.42Å; L621-R625 PolarHBondContact O-N 3.46Å
622A92.4Very high94.2Very high48 Ų4854.2 Ų54.240%0.39728%0.275SS..Hα-helixtrans-62.7-46.8174.800000111.9T618 Q619 S624 R625 E626T618-A622 WeakPolarHBondContact O-CB 3.46Å; T618-A622 PolarHBondContact O-N 3.35Å; Q619-A622 PolarHBondContact O-N 3Å; A622-S624 PolarHBondContact O-N 3.05Å; A622-R625 WeakPolarHBondContact O-CB 3.39Å; A622-R625 PolarHBondContact O-N 3.29Å; A622-E626 PolarHBondContact O-N 3.4Å
623A91.7Very high94.1Very high40 Ų4050 Ų5033%0.33126%0.257SS..Hα-helixtrans-61.4-44.8176.300000112Q619 R625 E626 L627 Y694Q619-A623 PolarHBondContact O-N 2.95Å; A623-R625 VanDerWaalsContact C-N 3.3Å; A623-R625 PolarHBondContact O-N 3.33Å; A623-E626 PolarHBondContact O-N 2.89Å; A623-L627 PolarHBondContact O-N 2.96Å; A623-Y694 PolarHBondContact O-OH 3.33Å; A623-Y694 VanDerWaalsContact O-OH 3.11Å
624S93.1Very high94.1Very high9 Ų947 Ų476%0.06324%0.242CC..Hα-helixtrans-60.7-39.4174.4-168.30000112.1L546 M620 L621 A622 L627 H628L546-S624 WeakPolarHBondContact O-CB 3.17Å; L546-S624 PolarHBondContact O-OG 2.8Å; M620-S624 WeakPolarHBondContact O-CB 3.38Å; M620-S624 PolarHBondContact O-N 2.98Å; L621-S624 PolarHBondContact O-N 3.3Å; A622-S624 PolarHBondContact O-N 3.05Å; S624-L627 PolarHBondContact O-N 3.08Å; S624-H628 WeakPolarHBondContact O-CB 3.49Å; S624-H628 PolarHBondContact O-CD2 2.71Å; S624-H628 PolarHBondContact O-N 3.42Å
625R93.9Very high94Very high77 Ų7754.7 Ų54.729%0.29128%0.275SS..Hα-helixtrans-64.8-41.9175.9-171.1177.5-172-173.51.4112.5F550 V553 T554 E558 L621 A622 A623 K629F550-R625 HydrophobicContact CD2-CG 4.42Å; F550-R625 HydrophobicContact CE2-CG 3.99Å; V553-R625 HydrophobicContact CG1-CB 4.04Å; V553-R625 HydrophobicContact CG1-CG 4.16Å; V553-R625 HydrophobicContact CG2-CB 4.27Å; T554-R625 PolarHBondContact OG1-NE 3.36Å; T554-R625 PolarHBondContact OG1-NH2 2.66Å; E558-R625 IonicContact OE1-NH2 2.67Å; L621-R625 WeakPolarHBondContact O-CB 3.42Å; L621-R625 PolarHBondContact O-N 3.46Å; A622-R625 WeakPolarHBondContact O-CB 3.39Å; A622-R625 PolarHBondContact O-N 3.29Å; A623-R625 VanDerWaalsContact C-N 3.3Å; A623-R625 PolarHBondContact O-N 3.33Å; R625-K629 VanDerWaalsContact O-CB 3.24Å; R625-K629 WeakPolarHBondContact O-CB 3.46Å; R625-K629 PolarHBondContact O-N 3.47Å
626E92.6Very high94Very high92 Ų9251.7 Ų51.743%0.4326%0.263SS..Hα-helixtrans-60.2-46172.9-71.5-162174.100111.5A622 A623 K629 F630 K689 L690A622-E626 PolarHBondContact O-N 3.4Å; A623-E626 PolarHBondContact O-N 2.89Å; E626-K629 WeakPolarHBondContact O-CB 3.16Å; E626-K629 PolarHBondContact O-N 3.04Å; E626-F630 PolarHBondContact O-N 2.99Å; E626-K689 IonicContact OE1-NZ 2.66Å; E626-K689 PolarHBondContact OE1-NZ 3.35Å; E626-K689 IonicContact OE2-NZ 3.37Å; E626-K689 PolarHBondContact OE2-NZ 2.96Å; E626-L690 HydrophobicContact CB-CD2 4.41Å
627L93.2Very high94Very high9 Ų948.5 Ų48.55%0.04724%0.243CC..Hα-helixtrans-63.2-45.6179.2179.963000112.7A623 S624 F630 F631 Y694 K698 I702A623-L627 PolarHBondContact O-N 2.96Å; S624-L627 PolarHBondContact O-N 3.08Å; L627-F630 PolarHBondContact O-N 3.11Å; L627-F631 HydrophobicContact CD1-CD2 4.41Å; L627-F631 HydrophobicContact CD1-CE2 3.66Å; L627-F631 HydrophobicContact CD1-CZ 3.75Å; L627-F631 HydrophobicContact CD2-CE2 4.3Å; L627-F631 HydrophobicContact CG-CD2 4.28Å; L627-F631 HydrophobicContact CG-CE2 3.71Å; L627-F631 HydrophobicContact CG-CZ 4.32Å; L627-F631 WeakPolarHBondContact O-CD2 3.48Å; L627-F631 PolarHBondContact O-N 3.22Å; L627-Y694 HydrophobicContact CB-CE2 4.27Å; L627-Y694 HydrophobicContact CD1-CE2 4.37Å; L627-Y694 HydrophobicContact CD2-CD1 4.48Å; L627-Y694 HydrophobicContact CD2-CE1 3.96Å; L627-Y694 HydrophobicContact CD2-CE2 4.48Å; L627-K698 HydrophobicContact CD2-CD 4.28Å; L627-I702 HydrophobicContact CD1-CD1 3.75Å; L627-I702 HydrophobicContact CD1-CG1 3.79Å
628H94Very high94Very high34 Ų3449.7 Ų49.716%0.15725%0.25CS..Hα-helixtrans-71.7-31.9178.4-82.4-77.9000112.9Q548 F550 V553 S624 F631 H632Q548-H628 PolarHBondContact O-CE1 3.26Å; F550-H628 HydrophobicContact CB-CB 4.21Å; V553-H628 HydrophobicContact CG1-CB 4.06Å; S624-H628 WeakPolarHBondContact O-CB 3.49Å; S624-H628 PolarHBondContact O-CD2 2.71Å; S624-H628 PolarHBondContact O-N 3.42Å; H628-F631 PolarHBondContact O-N 2.86Å; H628-H632 WeakPolarHBondContact O-CB 3.32Å; H628-H632 PolarHBondContact O-N 2.6Å
629K94.5Very high94Very high60 Ų6049.5 Ų49.526%0.26126%0.256SS..Hα-helixtrans-58.4-51.2169.3178.2-169.1162.1-64.10110.2F550 R625 E626 F631 H632 D633 E686F550-K629 HydrophobicContact CD2-CB 3.81Å; F550-K629 HydrophobicContact CE2-CB 3.6Å; F550-K629 HydrophobicContact CE2-CG 4.15Å; F550-K629 HydrophobicContact CZ-CB 4.37Å; F550-K629 HydrophobicContact CZ-CG 4.45Å; R625-K629 VanDerWaalsContact O-CB 3.24Å; R625-K629 WeakPolarHBondContact O-CB 3.46Å; R625-K629 PolarHBondContact O-N 3.47Å; E626-K629 WeakPolarHBondContact O-CB 3.16Å; E626-K629 PolarHBondContact O-N 3.04Å; K629-F631 VanDerWaalsContact C-N 3.31Å; K629-F631 PolarHBondContact O-N 2.98Å; K629-H632 WeakPolarHBondContact O-CA 3.49Å; K629-H632 WeakPolarHBondContact O-CB 3.21Å; K629-H632 PolarHBondContact O-N 3.15Å; K629-D633 WeakPolarHBondContact CE-OD2 3.25Å; K629-D633 WeakPolarHBondContact CG-OD2 3.16Å; K629-D633 IonicContact NZ-OD2 3.28Å; K629-D633 PolarHBondContact NZ-OD2 3.04Å; K629-D633 PolarHBondContact O-N 3.39Å; K629-E686 IonicContact NZ-OE1 2.86Å; K629-E686 PolarHBondContact NZ-OE1 2.92Å; K629-E686 IonicContact NZ-OE2 3.43Å; K629-E686 PolarHBondContact NZ-OE2 2.84Å
630F95.4Very high94Very high0 Ų048.6 Ų48.60%025%0.248CC..Hα-helixtrans-55.5-44.1179.2170-95.4000112.6E626 L627 H632 D633 C634 I683 E686 L690 I702 R705E626-F630 PolarHBondContact O-N 2.99Å; L627-F630 PolarHBondContact O-N 3.11Å; F630-H632 PolarHBondContact O-N 3.11Å; F630-D633 PolarHBondContact O-N 3.28Å; F630-C634 WeakPolarHBondContact CZ-SG 3.46Å; F630-C634 WeakPolarHBondContact O-CB 3.22Å; F630-C634 PolarHBondContact O-N 3.08Å; F630-C634 PolarHBondContact O-SG 3.1Å; F630-I683 HydrophobicContact CE2-CG2 3.99Å; F630-I683 WeakPolarHBondContact CE2-O 3.47Å; F630-I683 HydrophobicContact CZ-CG2 4.44Å; F630-E686 HydrophobicContact CD2-CB 4.01Å; F630-L690 HydrophobicContact CB-CD1 3.41Å; F630-L690 VanDerWaalsContact CB-CD1 3.41Å; F630-L690 HydrophobicContact CD1-CD1 4.1Å; F630-L690 HydrophobicContact CD2-CD1 3.95Å; F630-L690 HydrophobicContact CG-CD1 3.54Å; F630-I702 HydrophobicContact CD1-CG1 4.5Å; F630-I702 HydrophobicContact CD1-CG2 4.42Å; F630-I702 HydrophobicContact CE1-CB 4.19Å; F630-I702 HydrophobicContact CE1-CG1 4.34Å; F630-I702 HydrophobicContact CE1-CG2 3.72Å; F630-I702 HydrophobicContact CZ-CG2 3.89Å; F630-R705 HydrophobicContact CE1-CB 4.36Å
631F94.3Very high94.2Very high31 Ų3144 Ų4414%0.13623%0.226CC..Hα-helixtrans-67.2-32.8175.7-65.5-41.1000113.6L627 H628 K629 K635 E701 I702 R705L627-F631 HydrophobicContact CD1-CD2 4.41Å; L627-F631 HydrophobicContact CD1-CE2 3.66Å; L627-F631 HydrophobicContact CD1-CZ 3.75Å; L627-F631 HydrophobicContact CD2-CE2 4.3Å; L627-F631 HydrophobicContact CG-CD2 4.28Å; L627-F631 HydrophobicContact CG-CE2 3.71Å; L627-F631 HydrophobicContact CG-CZ 4.32Å; L627-F631 WeakPolarHBondContact O-CD2 3.48Å; L627-F631 PolarHBondContact O-N 3.22Å; H628-F631 PolarHBondContact O-N 2.86Å; K629-F631 VanDerWaalsContact C-N 3.31Å; K629-F631 PolarHBondContact O-N 2.98Å; F631-K635 WeakPolarHBondContact O-CB 3.35Å; F631-K635 PolarHBondContact O-N 2.93Å; F631-E701 HydrophobicContact CE1-CG 3.95Å; F631-E701 HydrophobicContact CZ-CB 4.24Å; F631-E701 HydrophobicContact CZ-CG 3.74Å; F631-I702 HydrophobicContact CE1-CG1 4.14Å; F631-I702 HydrophobicContact CZ-CG1 4.1Å; F631-R705 HydrophobicContact CD1-CB 4.41Å; F631-R705 HydrophobicContact CD1-CG 3.87Å; F631-R705 HydrophobicContact CE1-CG 3.99Å
632H94.6Very high94.1Very high84 Ų8447.3 Ų47.339%0.38924%0.243SC..Hα-helixtrans-65.9-49.4172.6-179103.2000111F550 H628 K629 F630 C634 K635 D636F550-H632 HydrophobicContact CB-CB 4.16Å; F550-H632 HydrophobicContact CG-CB 4.4Å; H628-H632 WeakPolarHBondContact O-CB 3.32Å; H628-H632 PolarHBondContact O-N 2.6Å; K629-H632 WeakPolarHBondContact O-CA 3.49Å; K629-H632 WeakPolarHBondContact O-CB 3.21Å; K629-H632 PolarHBondContact O-N 3.15Å; F630-H632 PolarHBondContact O-N 3.11Å; H632-C634 PolarHBondContact O-N 3.39Å; H632-K635 WeakPolarHBondContact O-CB 3.37Å; H632-K635 PolarHBondContact O-N 3.14Å; H632-K635 VanDerWaalsContact O-N 3.08Å; H632-D636 PolarHBondContact O-N 3.39Å
633D94.8Very high94.1Very high41 Ų4151.6 Ų51.622%0.21926%0.255CS..Hα-helixtrans-64.6-41.6-178.4-67.4-14.3000111.6K629 F630 K635 D636 V637K629-D633 WeakPolarHBondContact CE-OD2 3.25Å; K629-D633 WeakPolarHBondContact CG-OD2 3.16Å; K629-D633 IonicContact NZ-OD2 3.28Å; K629-D633 PolarHBondContact NZ-OD2 3.04Å; K629-D633 PolarHBondContact O-N 3.39Å; F630-D633 PolarHBondContact O-N 3.28Å; D633-K635 VanDerWaalsContact C-N 3.27Å; D633-K635 PolarHBondContact O-N 2.89Å; D633-D636 PolarHBondContact O-N 3.37Å; D633-V637 WeakPolarHBondContact O-CB 3.39Å; D633-V637 WeakPolarHBondContact O-CG2 3.43Å; D633-V637 PolarHBondContact O-N 2.86Å
634C95.2Very high94.2Very high5 Ų553.1 Ų53.13%0.03425%0.254CS..Hα-helixtrans-55-43.5171.1-72.70000112F630 H632 L638 R705 V709F630-C634 WeakPolarHBondContact CZ-SG 3.46Å; F630-C634 WeakPolarHBondContact O-CB 3.22Å; F630-C634 PolarHBondContact O-N 3.08Å; F630-C634 PolarHBondContact O-SG 3.1Å; H632-C634 PolarHBondContact O-N 3.39Å; C634-L638 WeakPolarHBondContact O-CB 3.16Å; C634-L638 PolarHBondContact O-N 2.97Å; C634-R705 HydrophobicContact CB-CB 4.32Å; C634-V709 HydrophobicContact CB-CG2 4.06Å; C634-V709 WeakPolarHBondContact O-CG2 3.4Å
635K94.6Very high94.1Very high164 Ų16454.2 Ų54.271%0.71326%0.258SS*.Hα-helixtrans-70.5-41.7-178.4-178.1-175.2174-170.20112.3F631 H632 D633 G639F631-K635 WeakPolarHBondContact O-CB 3.35Å; F631-K635 PolarHBondContact O-N 2.93Å; H632-K635 WeakPolarHBondContact O-CB 3.37Å; H632-K635 PolarHBondContact O-N 3.14Å; H632-K635 VanDerWaalsContact O-N 3.08Å; D633-K635 VanDerWaalsContact C-N 3.27Å; D633-K635 PolarHBondContact O-N 2.89Å; K635-G639 PolarHBondContact O-N 3.19Å
636D94.9Very high93.8Very high57 Ų5758.1 Ų58.131%0.30528%0.279SS..Hα-helixtrans-67.5-48.2177.2166.970.9000111.6H632 D633 L638 G639 R640H632-D636 PolarHBondContact O-N 3.39Å; D633-D636 PolarHBondContact O-N 3.37Å; D636-L638 PolarHBondContact O-N 3.49Å; D636-G639 PolarHBondContact O-N 2.99Å; D636-G639 VanDerWaalsContact O-N 3.17Å; D636-R640 VanDerWaalsContact CG-CZ 3.43Å; D636-R640 WeakPolarHBondContact O-CG 3.45Å; D636-R640 PolarHBondContact O-N 2.83Å; D636-R640 IonicContact OD1-CZ 3.33Å; D636-R640 VanDerWaalsContact OD1-CZ 3.25Å; D636-R640 IonicContact OD1-NE 3.82Å; D636-R640 PolarHBondContact OD1-NE 3.43Å; D636-R640 IonicContact OD1-NH2 3.67Å; D636-R640 PolarHBondContact OD1-NH2 2.94Å; D636-R640 IonicContact OD2-CZ 3.88Å; D636-R640 IonicContact OD2-NE 3.93Å; D636-R640 PolarHBondContact OD2-NE 3Å; D636-R640 IonicContact OD2-NH1 2.63Å; D636-R640 PolarHBondContact OD2-NH1 3.3Å; D636-R640 IonicContact OD2-NH2 3.89Å; D636-R640 PolarHBondContact OD2-NH2 3.47Å
637V95.3Very high93.5Very high6 Ų656.1 Ų56.14%0.03628%0.283CS..Hα-helixtrans-63.8-43.2177.1174.10000111.4D633 G639 R640 I641 L676 Q679 V680 I683 V709D633-V637 WeakPolarHBondContact O-CB 3.39Å; D633-V637 WeakPolarHBondContact O-CG2 3.43Å; D633-V637 PolarHBondContact O-N 2.86Å; V637-G639 VanDerWaalsContact C-N 3.31Å; V637-G639 PolarHBondContact O-N 2.89Å; V637-R640 PolarHBondContact O-N 2.89Å; V637-I641 HydrophobicContact CG1-CD1 3.86Å; V637-I641 HydrophobicContact CG1-CG1 4.37Å; V637-I641 VanDerWaalsContact O-CG1 3.29Å; V637-I641 WeakPolarHBondContact O-CG1 3.34Å; V637-I641 PolarHBondContact O-N 2.97Å; V637-L676 HydrophobicContact CG1-CD1 4.04Å; V637-Q679 HydrophobicContact CG1-CB 4.4Å; V637-Q679 HydrophobicContact CG2-CB 3.91Å; V637-V680 HydrophobicContact CG1-CG2 3.95Å; V637-I683 HydrophobicContact CB-CD1 3.57Å; V637-I683 HydrophobicContact CG1-CD1 3.82Å; V637-I683 HydrophobicContact CG2-CD1 3.67Å; V637-V709 HydrophobicContact CG1-CG1 4.09Å
638L95.2Very high93.2Very high35 Ų3556.5 Ų56.518%0.18329%0.285CS..Hα-helixtrans-57.7-43.8172.7179.261.1000111.6C634 D636 R640 I641 L642 E708 V709 A712C634-L638 WeakPolarHBondContact O-CB 3.16Å; C634-L638 PolarHBondContact O-N 2.97Å; D636-L638 PolarHBondContact O-N 3.49Å; L638-R640 PolarHBondContact O-N 3.31Å; L638-I641 PolarHBondContact O-N 3.38Å; L638-L642 HydrophobicContact CD1-CD1 4.2Å; L638-L642 HydrophobicContact CD1-CG 4.25Å; L638-L642 HydrophobicContact CG-CD1 4.1Å; L638-L642 VanDerWaalsContact O-CG 3.31Å; L638-L642 WeakPolarHBondContact O-CG 3.34Å; L638-L642 PolarHBondContact O-N 2.91Å; L638-E708 HydrophobicContact CD2-CB 4.39Å; L638-V709 HydrophobicContact CB-CG2 4.21Å; L638-A712 HydrophobicContact CD1-CB 3.43Å; L638-A712 VanDerWaalsContact CD1-CB 3.43Å
639G94Very high92.7Very high37 Ų3757.2 Ų57.238%0.38129%0.294SS..Hα-helixtrans-57.5-46.5175.400000112.6K635 D636 V637 L642 E643K635-G639 PolarHBondContact O-N 3.19Å; D636-G639 PolarHBondContact O-N 2.99Å; D636-G639 VanDerWaalsContact O-N 3.17Å; V637-G639 VanDerWaalsContact C-N 3.31Å; V637-G639 PolarHBondContact O-N 2.89Å; G639-L642 PolarHBondContact O-N 3.48Å; G639-E643 PolarHBondContact O-N 3.37Å
640R94.8Very high92.2Very high95 Ų9560.9 Ų60.936%0.35832%0.317SS..Hα-helixtrans-65.2-39177-67171.5-171.1175.54.4112.7D636 V637 L638 E643 K644 L676D636-R640 VanDerWaalsContact CG-CZ 3.43Å; D636-R640 WeakPolarHBondContact O-CG 3.45Å; D636-R640 PolarHBondContact O-N 2.83Å; D636-R640 IonicContact OD1-CZ 3.33Å; D636-R640 VanDerWaalsContact OD1-CZ 3.25Å; D636-R640 IonicContact OD1-NE 3.82Å; D636-R640 PolarHBondContact OD1-NE 3.43Å; D636-R640 IonicContact OD1-NH2 3.67Å; D636-R640 PolarHBondContact OD1-NH2 2.94Å; D636-R640 IonicContact OD2-CZ 3.88Å; D636-R640 IonicContact OD2-NE 3.93Å; D636-R640 PolarHBondContact OD2-NE 3Å; D636-R640 IonicContact OD2-NH1 2.63Å; D636-R640 PolarHBondContact OD2-NH1 3.3Å; D636-R640 IonicContact OD2-NH2 3.89Å; D636-R640 PolarHBondContact OD2-NH2 3.47Å; V637-R640 PolarHBondContact O-N 2.89Å; L638-R640 PolarHBondContact O-N 3.31Å; R640-E643 PolarHBondContact O-N 3.46Å; R640-K644 WeakPolarHBondContact O-CG 3.43Å; R640-K644 PolarHBondContact O-N 2.82Å; R640-L676 HydrophobicContact CB-CD1 3.93Å
641I94.4Very high91.8Very high0 Ų067 Ų670%035%0.345CS..Hα-helixtrans-62.3-47.5175.1-68.2165.6000110.3V637 L638 E643 K644 Q645 L676 V680 V709 A712 W713 L716V637-I641 HydrophobicContact CG1-CD1 3.86Å; V637-I641 HydrophobicContact CG1-CG1 4.37Å; V637-I641 VanDerWaalsContact O-CG1 3.29Å; V637-I641 WeakPolarHBondContact O-CG1 3.34Å; V637-I641 PolarHBondContact O-N 2.97Å; L638-I641 PolarHBondContact O-N 3.38Å; I641-E643 PolarHBondContact O-N 2.86Å; I641-K644 PolarHBondContact O-N 3.06Å; I641-Q645 WeakPolarHBondContact O-CB 3.48Å; I641-Q645 PolarHBondContact O-N 2.91Å; I641-L676 HydrophobicContact CB-CD2 4.49Å; I641-L676 HydrophobicContact CG1-CD1 4.17Å; I641-L676 HydrophobicContact CG1-CD2 3.74Å; I641-L676 HydrophobicContact CG1-CG 3.98Å; I641-V680 HydrophobicContact CD1-CG2 3.73Å; I641-V709 HydrophobicContact CD1-CG1 3.91Å; I641-A712 HydrophobicContact CB-CB 4.5Å; I641-A712 HydrophobicContact CG2-CB 3.72Å; I641-A712 WeakPolarHBondContact CG2-O 3.16Å; I641-W713 HydrophobicContact CD1-CB 4.25Å; I641-W713 HydrophobicContact CD1-CE3 4.37Å; I641-W713 HydrophobicContact CG1-CE3 4.29Å; I641-L716 HydrophobicContact CG2-CB 4.24Å; I641-L716 HydrophobicContact CG2-CD2 4.04Å
642L93.2Very high91.2Very high69 Ų6967.6 Ų67.636%0.36135%0.35SS..Hα-helixtrans-64.2-39.2178.7-67.6172.4000111.9L638 G639 Q645 H646L638-L642 HydrophobicContact CD1-CD1 4.2Å; L638-L642 HydrophobicContact CD1-CG 4.25Å; L638-L642 HydrophobicContact CG-CD1 4.1Å; L638-L642 VanDerWaalsContact O-CG 3.31Å; L638-L642 WeakPolarHBondContact O-CG 3.34Å; L638-L642 PolarHBondContact O-N 2.91Å; G639-L642 PolarHBondContact O-N 3.48Å; L642-Q645 WeakPolarHBondContact O-CB 3.43Å; L642-Q645 PolarHBondContact O-N 3Å; L642-H646 PolarHBondContact O-CD2 3.22Å; L642-H646 PolarHBondContact O-N 2.84Å
643E93.4Very high90.7Very high139 Ų13965 Ų6565%0.6535%0.345SS*.Hα-helixtrans-58.8-49172.2-170.2-166.4161.100111.4G639 R640 I641 Q645 H646 G647G639-E643 PolarHBondContact O-N 3.37Å; R640-E643 PolarHBondContact O-N 3.46Å; I641-E643 PolarHBondContact O-N 2.86Å; E643-Q645 VanDerWaalsContact C-N 3.32Å; E643-Q645 PolarHBondContact O-N 2.57Å; E643-H646 PolarHBondContact O-N 2.91Å; E643-G647 PolarHBondContact O-N 3.41Å
644K92.4Very high90.2Very high72 Ų7274.1 Ų74.131%0.31338%0.377SS..Hα-helixtrans-62.9-37.7176.3-68.1-66.5-179.9179.10112R640 I641 G647 V648 F669 L673 L676 L716R640-K644 WeakPolarHBondContact O-CG 3.43Å; R640-K644 PolarHBondContact O-N 2.82Å; I641-K644 PolarHBondContact O-N 3.06Å; K644-G647 WeakPolarHBondContact O-CA 3.33Å; K644-G647 PolarHBondContact O-N 3.02Å; K644-V648 PolarHBondContact O-N 3.4Å; K644-F669 HydrophobicContact CB-CZ 4.21Å; K644-F669 HydrophobicContact CD-CE2 4.07Å; K644-F669 HydrophobicContact CD-CZ 4.32Å; K644-F669 WeakPolarHBondContact O-CZ 3.32Å; K644-L673 HydrophobicContact CB-CD2 4.07Å; K644-L673 HydrophobicContact CD-CD2 4.29Å; K644-L673 HydrophobicContact CG-CD2 3.98Å; K644-L676 HydrophobicContact CG-CD2 4.1Å; K644-L716 HydrophobicContact CB-CD1 4.42Å; K644-L716 HydrophobicContact CB-CD2 3.98Å
645Q91.3Very high89.7Confident32 Ų3277.6 Ų77.615%0.1540%0.395CS..Hα-helixtrans-62.2-44.4176.5-166.6-168.6-19.200111.8I641 L642 E643 G647 V648 N715 L716 M719I641-Q645 WeakPolarHBondContact O-CB 3.48Å; I641-Q645 PolarHBondContact O-N 2.91Å; L642-Q645 WeakPolarHBondContact O-CB 3.43Å; L642-Q645 PolarHBondContact O-N 3Å; E643-Q645 VanDerWaalsContact C-N 3.32Å; E643-Q645 PolarHBondContact O-N 2.57Å; Q645-G647 PolarHBondContact O-N 3.17Å; Q645-V648 PolarHBondContact O-N 2.91Å; Q645-N715 PolarHBondContact NE2-ND2 2.9Å; Q645-L716 HydrophobicContact CB-CD1 4.19Å; Q645-M719 HydrophobicContact CG-CE 4.27Å; Q645-M719 HydrophobicContact CG-SD 3.54Å; Q645-M719 VanDerWaalsContact CG-SD 3.54Å; Q645-M719 PolarHBondContact NE2-SD 2.84Å; Q645-M719 VanDerWaalsContact NE2-SD 3.43Å
646H88.3Confident89.2Confident159 Ų15972.7 Ų72.774%0.73639%0.385SS*.Hα-helixtrans-66.7-23173-68-50.3000113.2L642 E643 V648L642-H646 PolarHBondContact O-CD2 3.22Å; L642-H646 PolarHBondContact O-N 2.84Å; E643-H646 PolarHBondContact O-N 2.91Å; H646-V648 VanDerWaalsContact C-N 3.35Å
647G84.9Confident88.8Confident49 Ų4971.9 Ų71.951%0.50539%0.39SS..THydrogen-bonded Turntrans-74.9-12.1173.800000115.8E643 K644 Q645 S649E643-G647 PolarHBondContact O-N 3.41Å; K644-G647 WeakPolarHBondContact O-CA 3.33Å; K644-G647 PolarHBondContact O-N 3.02Å; Q645-G647 PolarHBondContact O-N 3.17Å; G647-S649 PolarHBondContact O-N 3.34Å
648V88.1Confident88.5Confident17 Ų1773.2 Ų73.210%0.10340%0.4CS..  trans-75.795.9-179.7-174.90000110.5K644 Q645 H646 F669 L716 M719K644-V648 PolarHBondContact O-N 3.4Å; Q645-V648 PolarHBondContact O-N 2.91Å; H646-V648 VanDerWaalsContact C-N 3.35Å; V648-F669 HydrophobicContact CG2-CE1 3.95Å; V648-F669 HydrophobicContact CG2-CZ 3.98Å; V648-L716 HydrophobicContact CG2-CD1 3.92Å; V648-M719 HydrophobicContact CB-CE 4.21Å
649S83.7Confident88.3Confident49 Ų4971.6 Ų71.634%0.34339%0.391SS..  trans-71.8156.3178.888.30000114.2G647 R723G647-S649 PolarHBondContact O-N 3.34Å; S649-R723 VanDerWaalsContact O-CD 3.3Å; S649-R723 WeakPolarHBondContact O-CD 3.34Å; S649-R723 PolarHBondContact O-NE 3.46Å; S649-R723 VanDerWaalsContact O-NE 3.15Å; S649-R723 PolarHBondContact O-NH1 2.91Å; S649-R723 PolarHBondContact O-NH2 3.18Å; S649-R723 PolarHBondContact OG-NH1 3.22Å; S649-R723 PolarHBondContact OG-NH2 3.22Å
650D83.3Confident88Confident137 Ų13773 Ų7373%0.73340%0.396SS*.  trans-925.5177.9-81.3-54.5000114.2L652D650-L652 PolarHBondContact O-N 2.89Å
651E86.1Confident87.8Confident128 Ų12871.3 Ų71.360%0.59840%0.396SS*.  trans-68.2126.3-175.8-63.2-175.9161.800112.3L662 R723E651-L662 HydrophobicContact CB-CD1 4.33Å; E651-R723 PolarHBondContact O-NH2 3.2Å
652L82.9Confident87.6Confident44 Ų4472.3 Ų72.323%0.2340%0.401CS..  trans-102.9-14.7179.1-59.6-179.1000114.3D650 V659 K726 L727 T730D650-L652 PolarHBondContact O-N 2.89Å; L652-V659 WeakPolarHBondContact O-CG2 3.07Å; L652-K726 HydrophobicContact CD2-CB 3.75Å; L652-L727 HydrophobicContact CD2-CD2 4.08Å; L652-L727 HydrophobicContact CD2-CG 4.29Å; L652-T730 HydrophobicContact CB-CG2 4.31Å
653G83.4Confident87.5Confident29 Ų2972.5 Ų72.530%0.29940%0.4SS..  trans94.2164.6-17500000113.5
654R84.8Confident87.4Confident233 Ų23373.7 Ų73.788%0.87940%0.399SS*.SBendtrans-111.4-10.9-177.2-63.9-177.7-176.8168.42.1113.5S658 F734R654-S658 PolarHBondContact N-OG 3.44Å; R654-F734 VanDerWaalsContact C-CZ 3.41Å; R654-F734 VanDerWaalsContact O-CZ 3.26Å; R654-F734 WeakPolarHBondContact O-CZ 3.47Å
655D84.6Confident87.3Confident79 Ų7976.9 Ų76.942%0.42241%0.413SS..SBendtrans-158.7166.5-174.367.289.4000109.6G657 S658 V659D655-G657 VanDerWaalsContact C-N 3.27Å; D655-G657 PolarHBondContact O-N 3.33Å; D655-G657 VanDerWaalsContact OD1-CA 3.28Å; D655-G657 WeakPolarHBondContact OD1-CA 3.2Å; D655-G657 PolarHBondContact OD1-N 2.88Å; D655-S658 VanDerWaalsContact CG-OG 3.23Å; D655-S658 PolarHBondContact N-OG 2.95Å; D655-S658 VanDerWaalsContact N-OG 3.14Å; D655-S658 PolarHBondContact O-N 3.25Å; D655-S658 PolarHBondContact O-OG 3.32Å; D655-S658 VanDerWaalsContact O-OG 3.09Å; D655-S658 PolarHBondContact OD1-N 3.01Å; D655-S658 VanDerWaalsContact OD2-CB 3.27Å; D655-S658 WeakPolarHBondContact OD2-CB 3.27Å; D655-S658 PolarHBondContact OD2-OG 2.95Å; D655-V659 WeakPolarHBondContact O-CG2 3.29Å; D655-V659 PolarHBondContact O-N 3.46Å
656A83.9Confident87.4Confident60 Ų6075.9 Ų75.950%0.49641%0.408SS..Hα-helixtrans-58.8-31.9-177.500000114.5S660 F734A656-S660 WeakPolarHBondContact O-CB 3.44Å; A656-S660 PolarHBondContact O-N 2.68Å; A656-F734 HydrophobicContact CB-CB 4.07Å
657G86.5Confident87.5Confident41 Ų4175 Ų7542%0.42340%0.399SS..Hα-helixtrans-76.5-40.7179.500000112.8D655 S660 T661D655-G657 VanDerWaalsContact C-N 3.27Å; D655-G657 PolarHBondContact O-N 3.33Å; D655-G657 VanDerWaalsContact OD1-CA 3.28Å; D655-G657 WeakPolarHBondContact OD1-CA 3.2Å; D655-G657 PolarHBondContact OD1-N 2.88Å; G657-S660 PolarHBondContact O-N 2.94Å; G657-T661 WeakPolarHBondContact O-CB 3.26Å; G657-T661 PolarHBondContact O-N 3.4Å; G657-T661 PolarHBondContact O-OG1 2.9Å
658S89.3Confident87.8Confident33 Ų3376.9 Ų76.923%0.23140%0.397CS..Hα-helixtrans-66.8-38.7172.7560000112R654 D655 T661 L662R654-S658 PolarHBondContact N-OG 3.44Å; D655-S658 VanDerWaalsContact CG-OG 3.23Å; D655-S658 PolarHBondContact N-OG 2.95Å; D655-S658 VanDerWaalsContact N-OG 3.14Å; D655-S658 PolarHBondContact O-N 3.25Å; D655-S658 PolarHBondContact O-OG 3.32Å; D655-S658 VanDerWaalsContact O-OG 3.09Å; D655-S658 PolarHBondContact OD1-N 3.01Å; D655-S658 VanDerWaalsContact OD2-CB 3.27Å; D655-S658 WeakPolarHBondContact OD2-CB 3.27Å; D655-S658 PolarHBondContact OD2-OG 2.95Å; S658-T661 PolarHBondContact O-N 3.28Å; S658-L662 WeakPolarHBondContact O-CG 3.4Å; S658-L662 PolarHBondContact O-N 2.87Å
659V91.1Very high87.9Confident1 Ų178 Ų781%0.00640%0.401CS..Hα-helixtrans-59.2-51.4171.9176.60000111.3L652 D655 T661 L662 Q663 L727 T730 F734L652-V659 WeakPolarHBondContact O-CG2 3.07Å; D655-V659 WeakPolarHBondContact O-CG2 3.29Å; D655-V659 PolarHBondContact O-N 3.46Å; V659-T661 VanDerWaalsContact C-N 3.26Å; V659-T661 PolarHBondContact O-N 3.18Å; V659-L662 PolarHBondContact O-N 3.44Å; V659-L662 VanDerWaalsContact O-N 3.08Å; V659-Q663 HydrophobicContact CG1-CG 4.31Å; V659-Q663 WeakPolarHBondContact O-CG 3.49Å; V659-Q663 PolarHBondContact O-N 3.42Å; V659-L727 WeakPolarHBondContact CG1-O 3.47Å; V659-T730 HydrophobicContact CG2-CG2 3.65Å; V659-F734 HydrophobicContact CG2-CD2 3.77Å; V659-F734 HydrophobicContact CG2-CE2 3.77Å
660S87.9Confident88.3Confident68 Ų6877.8 Ų77.848%0.47640%0.396SS..Hα-helixtrans-60.8-36.2179.5-175.20000112.3A656 G657 Q663 R664A656-S660 WeakPolarHBondContact O-CB 3.44Å; A656-S660 PolarHBondContact O-N 2.68Å; G657-S660 PolarHBondContact O-N 2.94Å; S660-Q663 PolarHBondContact O-N 2.7Å; S660-R664 PolarHBondContact O-N 3Å; S660-R664 VanDerWaalsContact O-N 3.09Å
661T89.6Confident88.6Confident58 Ų5875.4 Ų75.436%0.35638%0.38SS..Hα-helixtrans-65.4-41.8173.9-59.30000112G657 S658 V659 R664 K665G657-T661 WeakPolarHBondContact O-CB 3.26Å; G657-T661 PolarHBondContact O-N 3.4Å; G657-T661 PolarHBondContact O-OG1 2.9Å; S658-T661 PolarHBondContact O-N 3.28Å; V659-T661 VanDerWaalsContact C-N 3.26Å; V659-T661 PolarHBondContact O-N 3.18Å; T661-R664 PolarHBondContact O-N 3.37Å; T661-K665 WeakPolarHBondContact O-CG 3.34Å; T661-K665 PolarHBondContact O-N 3.4Å
662L91.8Very high88.8Confident22 Ų2274 Ų7412%0.11538%0.377CS..Hα-helixtrans-68.6-39.5176.2-73.2166.5000112.1E651 S658 V659 R664 K665 H666 L727E651-L662 HydrophobicContact CB-CD1 4.33Å; S658-L662 WeakPolarHBondContact O-CG 3.4Å; S658-L662 PolarHBondContact O-N 2.87Å; V659-L662 PolarHBondContact O-N 3.44Å; V659-L662 VanDerWaalsContact O-N 3.08Å; L662-R664 VanDerWaalsContact C-N 3.34Å; L662-R664 PolarHBondContact O-N 2.84Å; L662-K665 PolarHBondContact O-N 3.08Å; L662-H666 WeakPolarHBondContact O-CB 3.49Å; L662-H666 PolarHBondContact O-N 3.27Å; L662-L727 HydrophobicContact CB-CD1 4.48Å; L662-L727 HydrophobicContact CB-CD2 3.96Å
663Q90.2Very high89.2Confident72 Ų7272.4 Ų72.434%0.33637%0.368SS..Hα-helixtrans-57.2-45172.5-73.6173-9.400111.6V659 S660 H666 Y667 L727V659-Q663 HydrophobicContact CG1-CG 4.31Å; V659-Q663 WeakPolarHBondContact O-CG 3.49Å; V659-Q663 PolarHBondContact O-N 3.42Å; S660-Q663 PolarHBondContact O-N 2.7Å; Q663-H666 PolarHBondContact O-N 3.16Å; Q663-Y667 PolarHBondContact O-N 2.79Å; Q663-L727 HydrophobicContact CG-CB 3.92Å; Q663-L727 PolarHBondContact NE2-O 2.86Å
664R91.1Very high89.6Confident165 Ų16575.6 Ų75.662%0.62338%0.378SS*.Hα-helixtrans-66.8-39.8176-175.7176.860.2-177.8-4.2112.7S660 T661 L662 H666 Y667 N668S660-R664 PolarHBondContact O-N 3Å; S660-R664 VanDerWaalsContact O-N 3.09Å; T661-R664 PolarHBondContact O-N 3.37Å; L662-R664 VanDerWaalsContact C-N 3.34Å; L662-R664 PolarHBondContact O-N 2.84Å; R664-H666 VanDerWaalsContact C-N 3.34Å; R664-Y667 PolarHBondContact O-N 2.75Å; R664-N668 PolarHBondContact O-N 3Å; R664-N668 PolarHBondContact O-OD1 3.09Å
665K90.9Very high90Very high139 Ų13969.2 Ų69.260%0.60437%0.365SS*.Hα-helixtrans-61.8-42.7173.6-76.1-177.9175.9-173.90111.6T661 L662 N668 F669T661-K665 WeakPolarHBondContact O-CG 3.34Å; T661-K665 PolarHBondContact O-N 3.4Å; L662-K665 PolarHBondContact O-N 3.08Å; K665-N668 PolarHBondContact O-N 2.96Å; K665-F669 PolarHBondContact O-N 2.65Å
666H92.3Very high90.4Very high11 Ų1165.9 Ų65.95%0.05135%0.347CS..Hα-helixtrans-64.9-39.6176.2-167.161.6000112L662 Q663 R664 F669 L670 C720 L727L662-H666 WeakPolarHBondContact O-CB 3.49Å; L662-H666 PolarHBondContact O-N 3.27Å; Q663-H666 PolarHBondContact O-N 3.16Å; R664-H666 VanDerWaalsContact C-N 3.34Å; H666-F669 WeakPolarHBondContact O-CB 3.19Å; H666-F669 PolarHBondContact O-N 3.33Å; H666-L670 WeakPolarHBondContact O-CG 3.44Å; H666-L670 PolarHBondContact O-N 2.8Å; H666-C720 PolarHBondContact CE1-O 2.94Å; H666-C720 PolarHBondContact NE2-O 3.49Å; H666-L727 HydrophobicContact CB-CD1 3.98Å
667Y91.5Very high90.8Very high141 Ų14167.8 Ų67.855%0.55334%0.342SS*.Hα-helixtrans-60.1-45.7172.9-178.1-90.7000112.1Q663 R664 F669 L670 Q671Q663-Y667 PolarHBondContact O-N 2.79Å; R664-Y667 PolarHBondContact O-N 2.75Å; Y667-F669 PolarHBondContact O-N 3.45Å; Y667-L670 WeakPolarHBondContact O-CB 3.35Å; Y667-L670 PolarHBondContact O-N 2.71Å; Y667-Q671 HydrophobicContact CD1-CG 4.25Å; Y667-Q671 HydrophobicContact CE1-CG 3.81Å; Y667-Q671 PolarHBondContact O-N 2.91Å; Y667-Q671 VanDerWaalsContact O-N 3.11Å
668N90.7Very high91.2Very high88 Ų8869.1 Ų69.147%0.47135%0.345SS..Hα-helixtrans-62.4-43176-709.1000111.5R664 K665 L670 Q671 D672R664-N668 PolarHBondContact O-N 3Å; R664-N668 PolarHBondContact O-OD1 3.09Å; K665-N668 PolarHBondContact O-N 2.96Å; N668-L670 VanDerWaalsContact C-N 3.29Å; N668-L670 PolarHBondContact O-N 3Å; N668-Q671 WeakPolarHBondContact O-CA 3.42Å; N668-Q671 WeakPolarHBondContact O-CB 3.31Å; N668-Q671 PolarHBondContact O-N 2.86Å; N668-D672 PolarHBondContact O-N 2.88Å
669F91.2Very high91.4Very high39 Ų3970.5 Ų70.517%0.17135%0.347CS..Hα-helixtrans-57.6-40.5174.7-177.5-93.1000112.1K644 V648 K665 H666 Y667 Q671 D672 L673K644-F669 HydrophobicContact CB-CZ 4.21Å; K644-F669 HydrophobicContact CD-CE2 4.07Å; K644-F669 HydrophobicContact CD-CZ 4.32Å; K644-F669 WeakPolarHBondContact O-CZ 3.32Å; V648-F669 HydrophobicContact CG2-CE1 3.95Å; V648-F669 HydrophobicContact CG2-CZ 3.98Å; K665-F669 PolarHBondContact O-N 2.65Å; H666-F669 WeakPolarHBondContact O-CB 3.19Å; H666-F669 PolarHBondContact O-N 3.33Å; Y667-F669 PolarHBondContact O-N 3.45Å; F669-Q671 VanDerWaalsContact C-N 3.31Å; F669-Q671 PolarHBondContact O-N 3.31Å; F669-D672 PolarHBondContact O-N 2.9Å; F669-L673 HydrophobicContact CD1-CD1 4.21Å; F669-L673 HydrophobicContact CD1-CG 4.49Å; F669-L673 HydrophobicContact CE1-CD1 3.85Å; F669-L673 HydrophobicContact CE1-CD2 4.5Å; F669-L673 HydrophobicContact CE1-CG 4.26Å; F669-L673 WeakPolarHBondContact O-CG 3.37Å; F669-L673 PolarHBondContact O-N 3.43Å
670L91.2Very high91.6Very high45 Ų4570.5 Ų70.524%0.23635%0.348CS..Hα-helixtrans-63.7-32.2173.1-70.7172.4000113.3H666 Y667 N668 C720 K724H666-L670 WeakPolarHBondContact O-CG 3.44Å; H666-L670 PolarHBondContact O-N 2.8Å; Y667-L670 WeakPolarHBondContact O-CB 3.35Å; Y667-L670 PolarHBondContact O-N 2.71Å; N668-L670 VanDerWaalsContact C-N 3.29Å; N668-L670 PolarHBondContact O-N 3Å; L670-C720 HydrophobicContact CD2-CB 3.78Å; L670-K724 HydrophobicContact CD1-CD 4.41Å
671Q90.1Very high91.9Very high88 Ų8870.8 Ų70.841%0.41134%0.341SS..Hα-helixtrans-71.2-40.5173.7-61.4-59.2-7100111.5Y667 N668 F669 L673 I674Y667-Q671 HydrophobicContact CD1-CG 4.25Å; Y667-Q671 HydrophobicContact CE1-CG 3.81Å; Y667-Q671 PolarHBondContact O-N 2.91Å; Y667-Q671 VanDerWaalsContact O-N 3.11Å; N668-Q671 WeakPolarHBondContact O-CA 3.42Å; N668-Q671 WeakPolarHBondContact O-CB 3.31Å; N668-Q671 PolarHBondContact O-N 2.86Å; F669-Q671 VanDerWaalsContact C-N 3.31Å; F669-Q671 PolarHBondContact O-N 3.31Å; Q671-L673 PolarHBondContact O-N 2.88Å; Q671-I674 WeakPolarHBondContact O-CB 3.5Å; Q671-I674 WeakPolarHBondContact O-CG1 3.31Å; Q671-I674 PolarHBondContact O-N 3.28Å
672D89.1Confident92.2Very high97 Ų9772.3 Ų72.352%0.51935%0.345SS..Hα-helixtrans-62-23176.8-64-20.1000112.6N668 F669 T675N668-D672 PolarHBondContact O-N 2.88Å; F669-D672 PolarHBondContact O-N 2.9Å; D672-T675 PolarHBondContact O-OG1 3.45Å
673L93.1Very high92.3Very high11 Ų1171.5 Ų71.56%0.05834%0.34CS..THydrogen-bonded Turntrans-77.6-13176-69.6-177.4000114.2K644 F669 Q671 T675 L676 Y677 W713 L716K644-L673 HydrophobicContact CB-CD2 4.07Å; K644-L673 HydrophobicContact CD-CD2 4.29Å; K644-L673 HydrophobicContact CG-CD2 3.98Å; F669-L673 HydrophobicContact CD1-CD1 4.21Å; F669-L673 HydrophobicContact CD1-CG 4.49Å; F669-L673 HydrophobicContact CE1-CD1 3.85Å; F669-L673 HydrophobicContact CE1-CD2 4.5Å; F669-L673 HydrophobicContact CE1-CG 4.26Å; F669-L673 WeakPolarHBondContact O-CG 3.37Å; F669-L673 PolarHBondContact O-N 3.43Å; Q671-L673 PolarHBondContact O-N 2.88Å; L673-T675 VanDerWaalsContact C-N 3.32Å; L673-T675 PolarHBondContact O-N 2.89Å; L673-L676 HydrophobicContact CD2-CD2 4.16Å; L673-L676 PolarHBondContact O-N 3.13Å; L673-Y677 PolarHBondContact O-N 3.16Å; L673-W713 HydrophobicContact CB-CH2 4.06Å; L673-L716 HydrophobicContact CD1-CD2 4.23Å; L673-L716 HydrophobicContact CD1-CG 4.31Å; L673-L716 HydrophobicContact CD2-CD2 3.86Å
674I91.8Very high92.6Very high96 Ų9671.5 Ų71.549%0.49234%0.34SS..Hα-helixtrans-63.5-37.8-177.1-64.7171.1000111.7Q671 Y677 S678Q671-I674 WeakPolarHBondContact O-CB 3.5Å; Q671-I674 WeakPolarHBondContact O-CG1 3.31Å; Q671-I674 PolarHBondContact O-N 3.28Å; I674-Y677 PolarHBondContact O-N 3.31Å; I674-S678 PolarHBondContact O-N 3.02Å; I674-S678 VanDerWaalsContact O-N 3.12Å
675T91.7Very high92.7Very high100 Ų10070.3 Ų70.361%0.61334%0.342SS*.Hα-helixtrans-68.2-37.3177.154.70000111.8D672 L673 S678 Q679D672-T675 PolarHBondContact O-OG1 3.45Å; L673-T675 VanDerWaalsContact C-N 3.32Å; L673-T675 PolarHBondContact O-N 2.89Å; T675-S678 PolarHBondContact O-N 3.49Å; T675-Q679 PolarHBondContact O-N 2.79Å
676L93.3Very high92.8Very high9 Ų965.6 Ų65.65%0.04732%0.322CS..Hα-helixtrans-69.8-37.3176.7-169.259.1000111.3V637 R640 I641 K644 L673 S678 Q679 V680 W713V637-L676 HydrophobicContact CG1-CD1 4.04Å; R640-L676 HydrophobicContact CB-CD1 3.93Å; I641-L676 HydrophobicContact CB-CD2 4.49Å; I641-L676 HydrophobicContact CG1-CD1 4.17Å; I641-L676 HydrophobicContact CG1-CD2 3.74Å; I641-L676 HydrophobicContact CG1-CG 3.98Å; K644-L676 HydrophobicContact CG-CD2 4.1Å; L673-L676 HydrophobicContact CD2-CD2 4.16Å; L673-L676 PolarHBondContact O-N 3.13Å; L676-S678 PolarHBondContact O-N 3.2Å; L676-Q679 WeakPolarHBondContact O-CB 3.34Å; L676-Q679 PolarHBondContact O-N 3.04Å; L676-V680 WeakPolarHBondContact O-CG2 3.49Å; L676-V680 PolarHBondContact O-N 3.46Å; L676-W713 HydrophobicContact CB-CZ3 4.1Å; L676-W713 HydrophobicContact CD2-CZ3 4.17Å; L676-W713 HydrophobicContact CG-CE3 4.48Å; L676-W713 HydrophobicContact CG-CZ3 3.98Å
677Y92.6Very high92.8Very high100 Ų10065.1 Ų65.139%0.39232%0.32SS..Hα-helixtrans-58.7-45.4170.9-179-115.6000111.9L673 I674 Q679 V680 Q681 W713L673-Y677 PolarHBondContact O-N 3.16Å; I674-Y677 PolarHBondContact O-N 3.31Å; Y677-Q679 VanDerWaalsContact C-N 3.25Å; Y677-Q679 PolarHBondContact O-N 3.11Å; Y677-V680 WeakPolarHBondContact O-CB 3.41Å; Y677-V680 PolarHBondContact O-N 3.36Å; Y677-V680 VanDerWaalsContact O-N 3.1Å; Y677-Q681 HydrophobicContact CD1-CG 4.36Å; Y677-Q681 HydrophobicContact CE1-CG 3.97Å; Y677-Q681 VanDerWaalsContact CE1-OE1 3.25Å; Y677-Q681 HydrophobicContact CE2-CG 4.16Å; Y677-Q681 WeakPolarHBondContact O-CG 3.42Å; Y677-Q681 PolarHBondContact O-N 3.2Å; Y677-Q681 PolarHBondContact OH-NE2 3.06Å; Y677-W713 AromaticContact CD2-CE2 3.67Å; Y677-W713 HydrophobicContact CD2-CH2 4.36Å; Y677-W713 AromaticContact CD2-CZ2 3.56Å; Y677-W713 HydrophobicContact CD2-CZ2 3.56Å; Y677-W713 AromaticContact CD2-NE1 3.78Å; Y677-W713 HydrophobicContact CG-CH2 4.45Å; Y677-W713 AromaticContact CG-CZ2 3.99Å; Y677-W713 HydrophobicContact CG-CZ2 3.99Å
678S94.1Very high92.8Very high68 Ų6860.8 Ų60.848%0.47631%0.313SS..Hα-helixtrans-60.6-34.1176-171.40000112.7I674 T675 L676 Q682I674-S678 PolarHBondContact O-N 3.02Å; I674-S678 VanDerWaalsContact O-N 3.12Å; T675-S678 PolarHBondContact O-N 3.49Å; L676-S678 PolarHBondContact O-N 3.2Å; S678-Q682 PolarHBondContact O-N 3.45Å
679Q94.7Very high92.9Very high62 Ų6262.2 Ų62.229%0.2932%0.315SS..Hα-helixtrans-70.7-37.3174.5-70.6176.2-12.200112V637 T675 L676 Y677 Q682 I683V637-Q679 HydrophobicContact CG1-CB 4.4Å; V637-Q679 HydrophobicContact CG2-CB 3.91Å; T675-Q679 PolarHBondContact O-N 2.79Å; L676-Q679 WeakPolarHBondContact O-CB 3.34Å; L676-Q679 PolarHBondContact O-N 3.04Å; Y677-Q679 VanDerWaalsContact C-N 3.25Å; Y677-Q679 PolarHBondContact O-N 3.11Å; Q679-Q682 PolarHBondContact O-N 3.49Å; Q679-I683 PolarHBondContact O-N 2.76Å
680V95.4Very high92.9Very high2 Ų260.7 Ų60.71%0.01231%0.309CS..Hα-helixtrans-63.9-43.7172.4174.10000111.1V637 I641 L676 Y677 Q682 I683 Q684 V709 L710 W713V637-V680 HydrophobicContact CG1-CG2 3.95Å; I641-V680 HydrophobicContact CD1-CG2 3.73Å; L676-V680 WeakPolarHBondContact O-CG2 3.49Å; L676-V680 PolarHBondContact O-N 3.46Å; Y677-V680 WeakPolarHBondContact O-CB 3.41Å; Y677-V680 PolarHBondContact O-N 3.36Å; Y677-V680 VanDerWaalsContact O-N 3.1Å; V680-Q682 PolarHBondContact O-N 3.43Å; V680-I683 WeakPolarHBondContact O-CB 3.45Å; V680-I683 PolarHBondContact O-N 2.67Å; V680-Q684 WeakPolarHBondContact O-CG 3.11Å; V680-Q684 PolarHBondContact O-N 3.01Å; V680-Q684 VanDerWaalsContact O-N 3.11Å; V680-V709 HydrophobicContact CG1-CG1 4.29Å; V680-V709 HydrophobicContact CG2-CG1 3.94Å; V680-L710 HydrophobicContact CG1-CD2 3.65Å; V680-W713 HydrophobicContact CG1-CB 4.43Å; V680-W713 HydrophobicContact CG1-CG 4.4Å; V680-W713 HydrophobicContact CG2-CB 4.35Å; V680-W713 HydrophobicContact CG2-CD2 4.26Å; V680-W713 HydrophobicContact CG2-CE3 4.05Å; V680-W713 HydrophobicContact CG2-CG 4.37Å
681Q94.4Very high92.8Very high73 Ų7361.8 Ų61.834%0.34131%0.313SS..Hα-helixtrans-61.3-43.7175.4-67.7-172-71.400112Y677 I683 Q684 E685Y677-Q681 HydrophobicContact CD1-CG 4.36Å; Y677-Q681 HydrophobicContact CE1-CG 3.97Å; Y677-Q681 VanDerWaalsContact CE1-OE1 3.25Å; Y677-Q681 HydrophobicContact CE2-CG 4.16Å; Y677-Q681 WeakPolarHBondContact O-CG 3.42Å; Y677-Q681 PolarHBondContact O-N 3.2Å; Y677-Q681 PolarHBondContact OH-NE2 3.06Å; Q681-I683 VanDerWaalsContact C-N 3.28Å; Q681-I683 PolarHBondContact O-N 3.4Å; Q681-Q684 WeakPolarHBondContact O-CB 3.24Å; Q681-Q684 PolarHBondContact O-N 2.81Å; Q681-E685 PolarHBondContact O-N 3.3Å
682Q94.4Very high92.7Very high91 Ų9165 Ų6543%0.42533%0.332SS..Hα-helixtrans-59.2-39175-176.1179.7-12.500112S678 Q679 V680 Q684 E685 E686S678-Q682 PolarHBondContact O-N 3.45Å; Q679-Q682 PolarHBondContact O-N 3.49Å; V680-Q682 PolarHBondContact O-N 3.43Å; Q682-Q684 VanDerWaalsContact C-N 3.33Å; Q682-Q684 PolarHBondContact O-N 3.28Å; Q682-E685 PolarHBondContact O-N 3.44Å; Q682-E686 HydrophobicContact CG-CG 4.31Å; Q682-E686 PolarHBondContact NE2-OE1 2.91Å; Q682-E686 WeakPolarHBondContact O-CB 3.33Å; Q682-E686 WeakPolarHBondContact O-CG 3.07Å; Q682-E686 PolarHBondContact O-N 3.49Å
683I95.6Very high92.6Very high5 Ų564 Ų643%0.02634%0.338CS..Hα-helixtrans-62.2-38.8173.6-76.3165.3000111.5F630 V637 Q679 V680 Q681 S687 E706 V709F630-I683 HydrophobicContact CE2-CG2 3.99Å; F630-I683 WeakPolarHBondContact CE2-O 3.47Å; F630-I683 HydrophobicContact CZ-CG2 4.44Å; V637-I683 HydrophobicContact CB-CD1 3.57Å; V637-I683 HydrophobicContact CG1-CD1 3.82Å; V637-I683 HydrophobicContact CG2-CD1 3.67Å; Q679-I683 PolarHBondContact O-N 2.76Å; V680-I683 WeakPolarHBondContact O-CB 3.45Å; V680-I683 PolarHBondContact O-N 2.67Å; Q681-I683 VanDerWaalsContact C-N 3.28Å; Q681-I683 PolarHBondContact O-N 3.4Å; I683-S687 WeakPolarHBondContact O-CB 3.46Å; I683-S687 PolarHBondContact O-N 3Å; I683-E706 HydrophobicContact CG2-CG 4.45Å; I683-V709 HydrophobicContact CD1-CG1 4.17Å; I683-V709 HydrophobicContact CD1-CG2 4.37Å
684Q94.4Very high92.3Very high72 Ų7266.1 Ų66.134%0.33635%0.346SS..Hα-helixtrans-66-41.4175.2-59.8-170.7-8600112.2V680 Q681 Q682 S687 A688 E706 L710V680-Q684 WeakPolarHBondContact O-CG 3.11Å; V680-Q684 PolarHBondContact O-N 3.01Å; V680-Q684 VanDerWaalsContact O-N 3.11Å; Q681-Q684 WeakPolarHBondContact O-CB 3.24Å; Q681-Q684 PolarHBondContact O-N 2.81Å; Q682-Q684 VanDerWaalsContact C-N 3.33Å; Q682-Q684 PolarHBondContact O-N 3.28Å; Q684-S687 PolarHBondContact O-N 3.38Å; Q684-A688 WeakPolarHBondContact O-CB 3.43Å; Q684-A688 PolarHBondContact O-N 3.18Å; Q684-E706 HydrophobicContact CG-CG 4.46Å; Q684-L710 HydrophobicContact CG-CD1 4.34Å; Q684-L710 HydrophobicContact CG-CD2 3.87Å; Q684-L710 HydrophobicContact CG-CG 4.49Å
685E94.1Very high92Very high139 Ų13965.7 Ų65.765%0.6536%0.356SS*.Hα-helixtrans-66.2-45.9177.6-68.7176.3-173.900112.1Q681 Q682 A688 K689Q681-E685 PolarHBondContact O-N 3.3Å; Q682-E685 PolarHBondContact O-N 3.44Å; E685-A688 PolarHBondContact O-N 3.41Å; E685-K689 PolarHBondContact O-N 3Å; E685-K689 VanDerWaalsContact O-N 3.1Å
686E92.6Very high91.8Very high41 Ų4163.2 Ų63.219%0.19235%0.35CS..Hα-helixtrans-65.2-39.4175-71.1-171.5-161.900111.5K629 F630 Q682 K689 L690K629-E686 IonicContact NZ-OE1 2.86Å; K629-E686 PolarHBondContact NZ-OE1 2.92Å; K629-E686 IonicContact NZ-OE2 3.43Å; K629-E686 PolarHBondContact NZ-OE2 2.84Å; F630-E686 HydrophobicContact CD2-CB 4.01Å; Q682-E686 HydrophobicContact CG-CG 4.31Å; Q682-E686 PolarHBondContact NE2-OE1 2.91Å; Q682-E686 WeakPolarHBondContact O-CB 3.33Å; Q682-E686 WeakPolarHBondContact O-CG 3.07Å; Q682-E686 PolarHBondContact O-N 3.49Å; E686-K689 PolarHBondContact O-N 2.82Å; E686-L690 WeakPolarHBondContact O-CB 3.46Å; E686-L690 VanDerWaalsContact O-CG 3.29Å; E686-L690 WeakPolarHBondContact O-CG 3.49Å; E686-L690 PolarHBondContact O-N 2.97Å
687S93.3Very high91.4Very high0 Ų068.6 Ų68.60%038%0.38CS..Hα-helixtrans-60.5-47.7174.5-176.50000111.4I683 Q684 K689 L690 Q691 I702 E706I683-S687 WeakPolarHBondContact O-CB 3.46Å; I683-S687 PolarHBondContact O-N 3Å; Q684-S687 PolarHBondContact O-N 3.38Å; S687-K689 PolarHBondContact O-N 3.49Å; S687-L690 PolarHBondContact O-N 3.35Å; S687-Q691 WeakPolarHBondContact O-CB 3.49Å; S687-Q691 VanDerWaalsContact O-CG 3.26Å; S687-Q691 WeakPolarHBondContact O-CG 3.43Å; S687-Q691 PolarHBondContact O-N 3.02Å; S687-Q691 PolarHBondContact OG-NE2 3.01Å; S687-I702 WeakPolarHBondContact OG-CG2 3.16Å; S687-E706 VanDerWaalsContact CB-OE2 3.27Å; S687-E706 WeakPolarHBondContact CB-OE2 3.36Å; S687-E706 PolarHBondContact OG-OE2 2.82Å
688A91.8Very high91.1Very high51 Ų5167.8 Ų67.842%0.42138%0.378SS..Hα-helixtrans-59.7-47.5177.700000111.8Q684 E685 L690 Q691 D692Q684-A688 WeakPolarHBondContact O-CB 3.43Å; Q684-A688 PolarHBondContact O-N 3.18Å; E685-A688 PolarHBondContact O-N 3.41Å; A688-L690 VanDerWaalsContact C-N 3.31Å; A688-L690 PolarHBondContact O-N 3.04Å; A688-Q691 PolarHBondContact O-N 3.44Å; A688-D692 PolarHBondContact O-N 3.39Å
689K92.1Very high90.8Very high118 Ų11865.5 Ų65.551%0.51336%0.363SS..Hα-helixtrans-56.8-43175-173.9-157173.5-156.30111.9E626 E685 E686 S687E626-K689 IonicContact OE1-NZ 2.66Å; E626-K689 PolarHBondContact OE1-NZ 3.35Å; E626-K689 IonicContact OE2-NZ 3.37Å; E626-K689 PolarHBondContact OE2-NZ 2.96Å; E685-K689 PolarHBondContact O-N 3Å; E685-K689 VanDerWaalsContact O-N 3.1Å; E686-K689 PolarHBondContact O-N 2.82Å; S687-K689 PolarHBondContact O-N 3.49Å
690L91.5Very high90.6Very high6 Ų668.1 Ų68.13%0.03137%0.373CS..Hα-helixtrans-75.4-30.6-179.1-69.6169.9000112.8E626 F630 E686 S687 A688 D692 A693 Y694 I702E626-L690 HydrophobicContact CB-CD2 4.41Å; F630-L690 HydrophobicContact CB-CD1 3.41Å; F630-L690 VanDerWaalsContact CB-CD1 3.41Å; F630-L690 HydrophobicContact CD1-CD1 4.1Å; F630-L690 HydrophobicContact CD2-CD1 3.95Å; F630-L690 HydrophobicContact CG-CD1 3.54Å; E686-L690 WeakPolarHBondContact O-CB 3.46Å; E686-L690 VanDerWaalsContact O-CG 3.29Å; E686-L690 WeakPolarHBondContact O-CG 3.49Å; E686-L690 PolarHBondContact O-N 2.97Å; S687-L690 PolarHBondContact O-N 3.35Å; A688-L690 VanDerWaalsContact C-N 3.31Å; A688-L690 PolarHBondContact O-N 3.04Å; L690-D692 VanDerWaalsContact C-N 3.3Å; L690-D692 PolarHBondContact O-N 3.17Å; L690-A693 PolarHBondContact O-N 3.1Å; L690-Y694 HydrophobicContact CB-CD2 4.43Å; L690-Y694 HydrophobicContact CD2-CD2 4.18Å; L690-Y694 HydrophobicContact CD2-CE2 3.85Å; L690-Y694 WeakPolarHBondContact O-CB 3.22Å; L690-Y694 WeakPolarHBondContact O-CD2 3.31Å; L690-Y694 PolarHBondContact O-N 3.47Å; L690-I702 HydrophobicContact CB-CD1 3.96Å; L690-I702 HydrophobicContact CB-CG2 4.4Å
691Q89.1Confident90.5Very high69 Ų6971.3 Ų71.332%0.32239%0.388SS..Hα-helixtrans-67.1-29.3174.4-74.7175.336.800112.7S687 A688 Y694 I702 T703 E706S687-Q691 WeakPolarHBondContact O-CB 3.49Å; S687-Q691 VanDerWaalsContact O-CG 3.26Å; S687-Q691 WeakPolarHBondContact O-CG 3.43Å; S687-Q691 PolarHBondContact O-N 3.02Å; S687-Q691 PolarHBondContact OG-NE2 3.01Å; A688-Q691 PolarHBondContact O-N 3.44Å; Q691-Y694 VanDerWaalsContact O-O 3.1Å; Q691-I702 HydrophobicContact CG-CG2 3.89Å; Q691-T703 PolarHBondContact NE2-OG1 3.29Å; Q691-E706 PolarHBondContact NE2-OE2 2.89Å
692D87.9Confident90.4Very high154 Ų15467.9 Ų67.982%0.82437%0.372SS*.Hα-helixtrans-71.6-30.5171.6-74.1-23.6000112.4A688 L690A688-D692 PolarHBondContact O-N 3.39Å; L690-D692 VanDerWaalsContact C-N 3.3Å; L690-D692 PolarHBondContact O-N 3.17Å
693A86.1Confident90.3Very high77 Ų7765.2 Ų65.264%0.63636%0.363SS*.Hα-helixtrans-89.3-28.5-177.300000114.3L690L690-A693 PolarHBondContact O-N 3.1Å
694Y87.6Confident90.2Very high56 Ų5669.2 Ų69.222%0.2238%0.384CS..  trans-115.3141.8-176-71.1-84.3000112A623 L627 L690 Q691 K698 A699 I702A623-Y694 PolarHBondContact O-OH 3.33Å; A623-Y694 VanDerWaalsContact O-OH 3.11Å; L627-Y694 HydrophobicContact CB-CE2 4.27Å; L627-Y694 HydrophobicContact CD1-CE2 4.37Å; L627-Y694 HydrophobicContact CD2-CD1 4.48Å; L627-Y694 HydrophobicContact CD2-CE1 3.96Å; L627-Y694 HydrophobicContact CD2-CE2 4.48Å; L690-Y694 HydrophobicContact CB-CD2 4.43Å; L690-Y694 HydrophobicContact CD2-CD2 4.18Å; L690-Y694 HydrophobicContact CD2-CE2 3.85Å; L690-Y694 WeakPolarHBondContact O-CB 3.22Å; L690-Y694 WeakPolarHBondContact O-CD2 3.31Å; L690-Y694 PolarHBondContact O-N 3.47Å; Q691-Y694 VanDerWaalsContact O-O 3.1Å; Y694-K698 HydrophobicContact CD1-CB 4.36Å; Y694-A699 WeakPolarHBondContact O-CB 3.29Å; Y694-I702 HydrophobicContact CD2-CD1 4.14Å; Y694-I702 HydrophobicContact CG-CD1 4.24Å
695A84.4Confident90.2Very high86 Ų8670.7 Ų70.771%0.71139%0.386SS*.  trans-119.8172179.800000112.8D697A695-D697 PolarHBondContact O-N 3.31Å
696G88.8Confident90.2Very high48 Ų4865.4 Ų65.450%0.49536%0.362SS..Hα-helixtrans67.2-130.4170.900000113.4K700G696-K700 WeakPolarHBondContact O-CG 3.42Å; G696-K700 PolarHBondContact O-N 3.17Å
697D84.8Confident90.3Very high123 Ų12367.8 Ų67.866%0.65837%0.373SS*.Hα-helixtrans-75.7-26.7-174.6-65.1-34.5000113.2A695 K700 E701A695-D697 PolarHBondContact O-N 3.31Å; D697-K700 PolarHBondContact O-N 3.18Å; D697-K700 IonicContact OD1-NZ 3.27Å; D697-K700 PolarHBondContact OD1-NZ 3.05Å; D697-E701 PolarHBondContact O-N 3.5Å
698K85.2Confident90.4Very high83 Ų8371.9 Ų71.936%0.36139%0.392SS..Hα-helixtrans-70.2-39.6173.5-77.3-62.9-175.8-175.40112.6L627 Y694 K700 E701 I702L627-K698 HydrophobicContact CD2-CD 4.28Å; Y694-K698 HydrophobicContact CD1-CB 4.36Å; K698-K700 VanDerWaalsContact C-N 3.33Å; K698-K700 PolarHBondContact O-N 3.39Å; K698-E701 WeakPolarHBondContact CD-OE2 3.43Å; K698-E701 IonicContact NZ-OE2 3.96Å; K698-E701 PolarHBondContact NZ-OE2 2.89Å; K698-E701 PolarHBondContact O-N 3.47Å; K698-I702 WeakPolarHBondContact O-CD1 3.38Å; K698-I702 VanDerWaalsContact O-CG1 3.31Å; K698-I702 WeakPolarHBondContact O-CG1 3.43Å; K698-I702 PolarHBondContact O-N 2.75Å
699A89.7Confident90.6Very high20 Ų2069.5 Ų69.517%0.16537%0.372CS..Hα-helixtrans-56.9-46.617100000111.7Y694 E701 I702 T703Y694-A699 WeakPolarHBondContact O-CB 3.29Å; A699-E701 VanDerWaalsContact C-N 3.35Å; A699-E701 PolarHBondContact O-N 2.75Å; A699-I702 WeakPolarHBondContact O-CB 3.44Å; A699-I702 PolarHBondContact O-N 3.36Å; A699-T703 PolarHBondContact O-N 3.08Å; A699-T703 PolarHBondContact O-OG1 3.05Å
700K89.8Confident90.8Very high116 Ų11665.5 Ų65.550%0.50436%0.356SS..Hα-helixtrans-62.3-40.6175.8-62.4168.9-157.6161.40112.1G696 D697 K698 T703 N704G696-K700 WeakPolarHBondContact O-CG 3.42Å; G696-K700 PolarHBondContact O-N 3.17Å; D697-K700 PolarHBondContact O-N 3.18Å; D697-K700 IonicContact OD1-NZ 3.27Å; D697-K700 PolarHBondContact OD1-NZ 3.05Å; K698-K700 VanDerWaalsContact C-N 3.33Å; K698-K700 PolarHBondContact O-N 3.39Å; K700-T703 PolarHBondContact O-N 2.84Å; K700-N704 VanDerWaalsContact O-CB 3.31Å; K700-N704 WeakPolarHBondContact O-CB 3.42Å; K700-N704 PolarHBondContact O-N 3.5Å; K700-N704 PolarHBondContact O-ND2 3.33Å; K700-N704 PolarHBondContact O-OD1 3.04Å
701E92.1Very high90.9Very high70 Ų7071.4 Ų71.433%0.32738%0.383SS..Hα-helixtrans-62-45.4177.3-169.4173.3-154.400111F631 D697 K698 A699 N704 R705F631-E701 HydrophobicContact CE1-CG 3.95Å; F631-E701 HydrophobicContact CZ-CB 4.24Å; F631-E701 HydrophobicContact CZ-CG 3.74Å; D697-E701 PolarHBondContact O-N 3.5Å; K698-E701 WeakPolarHBondContact CD-OE2 3.43Å; K698-E701 IonicContact NZ-OE2 3.96Å; K698-E701 PolarHBondContact NZ-OE2 2.89Å; K698-E701 PolarHBondContact O-N 3.47Å; A699-E701 VanDerWaalsContact C-N 3.35Å; A699-E701 PolarHBondContact O-N 2.75Å; E701-N704 PolarHBondContact O-N 2.97Å; E701-R705 WeakPolarHBondContact O-CG 3.24Å; E701-R705 PolarHBondContact O-N 2.83Å; E701-R705 VanDerWaalsContact O-N 3.1Å
702I93.3Very high91.2Very high0 Ų068.5 Ų68.50%037%0.371CS..Hα-helixtrans-56.3-55.2173.1-67156.6000110.6L627 F630 F631 S687 L690 Q691 Y694 K698 A699 N704 R705 E706L627-I702 HydrophobicContact CD1-CD1 3.75Å; L627-I702 HydrophobicContact CD1-CG1 3.79Å; F630-I702 HydrophobicContact CD1-CG1 4.5Å; F630-I702 HydrophobicContact CD1-CG2 4.42Å; F630-I702 HydrophobicContact CE1-CB 4.19Å; F630-I702 HydrophobicContact CE1-CG1 4.34Å; F630-I702 HydrophobicContact CE1-CG2 3.72Å; F630-I702 HydrophobicContact CZ-CG2 3.89Å; F631-I702 HydrophobicContact CE1-CG1 4.14Å; F631-I702 HydrophobicContact CZ-CG1 4.1Å; S687-I702 WeakPolarHBondContact OG-CG2 3.16Å; L690-I702 HydrophobicContact CB-CD1 3.96Å; L690-I702 HydrophobicContact CB-CG2 4.4Å; Q691-I702 HydrophobicContact CG-CG2 3.89Å; Y694-I702 HydrophobicContact CD2-CD1 4.14Å; Y694-I702 HydrophobicContact CG-CD1 4.24Å; K698-I702 WeakPolarHBondContact O-CD1 3.38Å; K698-I702 VanDerWaalsContact O-CG1 3.31Å; K698-I702 WeakPolarHBondContact O-CG1 3.43Å; K698-I702 PolarHBondContact O-N 2.75Å; A699-I702 WeakPolarHBondContact O-CB 3.44Å; A699-I702 PolarHBondContact O-N 3.36Å; I702-N704 VanDerWaalsContact C-N 3.33Å; I702-N704 PolarHBondContact O-N 2.56Å; I702-R705 PolarHBondContact O-N 2.97Å; I702-R705 VanDerWaalsContact O-N 3.17Å; I702-E706 PolarHBondContact O-N 2.85Å
703T93.1Very high91.6Very high36 Ų3662.1 Ų62.122%0.22134%0.336CS..Hα-helixtrans-58.6-40.8179.8-53.80000112.8Q691 A699 K700 E706 Q707Q691-T703 PolarHBondContact NE2-OG1 3.29Å; A699-T703 PolarHBondContact O-N 3.08Å; A699-T703 PolarHBondContact O-OG1 3.05Å; K700-T703 PolarHBondContact O-N 2.84Å; T703-E706 PolarHBondContact O-N 2.87Å; T703-Q707 WeakPolarHBondContact O-CB 3.17Å; T703-Q707 VanDerWaalsContact O-CG 3.31Å; T703-Q707 WeakPolarHBondContact O-CG 3.39Å; T703-Q707 PolarHBondContact O-N 2.64Å
704N93.3Very high92Very high88 Ų8862.8 Ų62.847%0.47133%0.329SS..Hα-helixtrans-65.1-39.9178.9-70.5-16.3000111.6K700 E701 I702 Q707 E708K700-N704 VanDerWaalsContact O-CB 3.31Å; K700-N704 WeakPolarHBondContact O-CB 3.42Å; K700-N704 PolarHBondContact O-N 3.5Å; K700-N704 PolarHBondContact O-ND2 3.33Å; K700-N704 PolarHBondContact O-OD1 3.04Å; E701-N704 PolarHBondContact O-N 2.97Å; I702-N704 VanDerWaalsContact C-N 3.33Å; I702-N704 PolarHBondContact O-N 2.56Å; N704-Q707 PolarHBondContact O-N 3.46Å; N704-E708 WeakPolarHBondContact O-CG 3.47Å; N704-E708 PolarHBondContact O-N 3.48Å
705R93.4Very high92.2Very high104 Ų10463.7 Ų63.739%0.39234%0.337SS..Hα-helixtrans-69.4-39.3177.5-66.2-52.8-170.1164.24.2112.7F630 F631 C634 E701 I702 Q707 E708 V709F630-R705 HydrophobicContact CE1-CB 4.36Å; F631-R705 HydrophobicContact CD1-CB 4.41Å; F631-R705 HydrophobicContact CD1-CG 3.87Å; F631-R705 HydrophobicContact CE1-CG 3.99Å; C634-R705 HydrophobicContact CB-CB 4.32Å; E701-R705 WeakPolarHBondContact O-CG 3.24Å; E701-R705 PolarHBondContact O-N 2.83Å; E701-R705 VanDerWaalsContact O-N 3.1Å; I702-R705 PolarHBondContact O-N 2.97Å; I702-R705 VanDerWaalsContact O-N 3.17Å; R705-Q707 VanDerWaalsContact C-N 3.33Å; R705-E708 VanDerWaalsContact CD-OE2 3.24Å; R705-E708 WeakPolarHBondContact CD-OE2 3.5Å; R705-E708 IonicContact CZ-OE2 3.53Å; R705-E708 IonicContact NE-OE2 3.49Å; R705-E708 IonicContact NH1-OE1 2.67Å; R705-E708 IonicContact NH1-OE2 3.42Å; R705-E708 PolarHBondContact NH1-OE2 2.72Å; R705-E708 PolarHBondContact O-N 2.94Å; R705-V709 WeakPolarHBondContact O-CG2 3.41Å; R705-V709 PolarHBondContact O-N 3.26Å
706E95.5Very high92.7Very high28 Ų2859.6 Ų59.613%0.13130%0.303CS..Hα-helixtrans-57.7-48.1170.2-170.3-163.1157.500110.6I683 Q684 S687 Q691 I702 T703 E708 V709 L710I683-E706 HydrophobicContact CG2-CG 4.45Å; Q684-E706 HydrophobicContact CG-CG 4.46Å; S687-E706 VanDerWaalsContact CB-OE2 3.27Å; S687-E706 WeakPolarHBondContact CB-OE2 3.36Å; S687-E706 PolarHBondContact OG-OE2 2.82Å; Q691-E706 PolarHBondContact NE2-OE2 2.89Å; I702-E706 PolarHBondContact O-N 2.85Å; T703-E706 PolarHBondContact O-N 2.87Å; E706-E708 PolarHBondContact O-N 2.76Å; E706-V709 PolarHBondContact O-N 3.02Å; E706-L710 HydrophobicContact CG-CD1 3.91Å; E706-L710 HydrophobicContact CG-CG 4.4Å; E706-L710 WeakPolarHBondContact O-CG 3.34Å; E706-L710 PolarHBondContact O-N 3.26Å
707Q94.4Very high92.9Very high91 Ų9161.6 Ų61.643%0.42530%0.3SS..Hα-helixtrans-63.5-35.4178.4-73.6176.85.800113.4T703 N704 R705 L710 H711T703-Q707 WeakPolarHBondContact O-CB 3.17Å; T703-Q707 VanDerWaalsContact O-CG 3.31Å; T703-Q707 WeakPolarHBondContact O-CG 3.39Å; T703-Q707 PolarHBondContact O-N 2.64Å; N704-Q707 PolarHBondContact O-N 3.46Å; R705-Q707 VanDerWaalsContact C-N 3.33Å; Q707-L710 PolarHBondContact O-N 3.01Å; Q707-H711 VanDerWaalsContact O-CB 3.31Å; Q707-H711 WeakPolarHBondContact O-CB 3.5Å; Q707-H711 PolarHBondContact O-CD2 2.96Å; Q707-H711 PolarHBondContact O-N 3.45Å
708E94.9Very high93.3Very high85 Ų8558.5 Ų58.540%0.39729%0.291SS..Hα-helixtrans-58.5-46.4172.2-77.4172.1-172.400111.4L638 N704 R705 E706 A712L638-E708 HydrophobicContact CD2-CB 4.39Å; N704-E708 WeakPolarHBondContact O-CG 3.47Å; N704-E708 PolarHBondContact O-N 3.48Å; R705-E708 VanDerWaalsContact CD-OE2 3.24Å; R705-E708 WeakPolarHBondContact CD-OE2 3.5Å; R705-E708 IonicContact CZ-OE2 3.53Å; R705-E708 IonicContact NE-OE2 3.49Å; R705-E708 IonicContact NH1-OE1 2.67Å; R705-E708 IonicContact NH1-OE2 3.42Å; R705-E708 PolarHBondContact NH1-OE2 2.72Å; R705-E708 PolarHBondContact O-N 2.94Å; E706-E708 PolarHBondContact O-N 2.76Å; E708-A712 WeakPolarHBondContact O-CB 3.49Å; E708-A712 PolarHBondContact O-N 2.88Å
709V96.5Very high93.6Very high1 Ų157.6 Ų57.61%0.00629%0.289CS..Hα-helixtrans-65.9-47.2177.8176.20000111.2C634 V637 L638 I641 V680 I683 R705 E706 A712 W713C634-V709 HydrophobicContact CB-CG2 4.06Å; C634-V709 WeakPolarHBondContact O-CG2 3.4Å; V637-V709 HydrophobicContact CG1-CG1 4.09Å; L638-V709 HydrophobicContact CB-CG2 4.21Å; I641-V709 HydrophobicContact CD1-CG1 3.91Å; V680-V709 HydrophobicContact CG1-CG1 4.29Å; V680-V709 HydrophobicContact CG2-CG1 3.94Å; I683-V709 HydrophobicContact CD1-CG1 4.17Å; I683-V709 HydrophobicContact CD1-CG2 4.37Å; R705-V709 WeakPolarHBondContact O-CG2 3.41Å; R705-V709 PolarHBondContact O-N 3.26Å; E706-V709 PolarHBondContact O-N 3.02Å; V709-A712 PolarHBondContact O-N 3.49Å; V709-W713 PolarHBondContact O-N 2.97Å
710L95.4Very high93.7Very high34 Ų3456.7 Ų56.718%0.17828%0.282CS..Hα-helixtrans-64.6-44.1-178.7-68.4173.8000112.5V680 Q684 E706 Q707 A712 W713 D714V680-L710 HydrophobicContact CG1-CD2 3.65Å; Q684-L710 HydrophobicContact CG-CD1 4.34Å; Q684-L710 HydrophobicContact CG-CD2 3.87Å; Q684-L710 HydrophobicContact CG-CG 4.49Å; E706-L710 HydrophobicContact CG-CD1 3.91Å; E706-L710 HydrophobicContact CG-CG 4.4Å; E706-L710 WeakPolarHBondContact O-CG 3.34Å; E706-L710 PolarHBondContact O-N 3.26Å; Q707-L710 PolarHBondContact O-N 3.01Å; L710-A712 VanDerWaalsContact C-N 3.32Å; L710-A712 PolarHBondContact O-N 2.81Å; L710-W713 PolarHBondContact O-N 2.78Å; L710-D714 WeakPolarHBondContact O-CB 3.45Å; L710-D714 PolarHBondContact O-N 2.86Å
711H94.7Very high93.7Very high130 Ų13054.7 Ų54.760%0.60228%0.276SS*.Hα-helixtrans-65.1-35.1176.6-75.5-41.1000112.8Q707 N715Q707-H711 VanDerWaalsContact O-CB 3.31Å; Q707-H711 WeakPolarHBondContact O-CB 3.5Å; Q707-H711 PolarHBondContact O-CD2 2.96Å; Q707-H711 PolarHBondContact O-N 3.45Å; H711-N715 VanDerWaalsContact O-CB 3.27Å; H711-N715 WeakPolarHBondContact O-CB 3.46Å; H711-N715 PolarHBondContact O-N 3.12Å; H711-N715 VanDerWaalsContact O-N 3.16Å
712A94.3Very high93.6Very high9 Ų953.8 Ų53.87%0.07428%0.281CS..Hα-helixtrans-67-41.1172.900000111.5L638 I641 E708 V709 L710 N715 L716L638-A712 HydrophobicContact CD1-CB 3.43Å; L638-A712 VanDerWaalsContact CD1-CB 3.43Å; I641-A712 HydrophobicContact CB-CB 4.5Å; I641-A712 HydrophobicContact CG2-CB 3.72Å; I641-A712 WeakPolarHBondContact CG2-O 3.16Å; E708-A712 WeakPolarHBondContact O-CB 3.49Å; E708-A712 PolarHBondContact O-N 2.88Å; V709-A712 PolarHBondContact O-N 3.49Å; L710-A712 VanDerWaalsContact C-N 3.32Å; L710-A712 PolarHBondContact O-N 2.81Å; A712-N715 PolarHBondContact O-N 3.48Å; A712-L716 WeakPolarHBondContact O-CB 3.35Å; A712-L716 PolarHBondContact O-N 3.1Å
713W96.1Very high93.5Very high19 Ų1955.1 Ų55.17%0.07229%0.286CS..Hα-helixtrans-63-51.4176178.4-95.9000112.5I641 L673 L676 Y677 V680 V709 L710 N715 L716 Q717I641-W713 HydrophobicContact CD1-CB 4.25Å; I641-W713 HydrophobicContact CD1-CE3 4.37Å; I641-W713 HydrophobicContact CG1-CE3 4.29Å; L673-W713 HydrophobicContact CB-CH2 4.06Å; L676-W713 HydrophobicContact CB-CZ3 4.1Å; L676-W713 HydrophobicContact CD2-CZ3 4.17Å; L676-W713 HydrophobicContact CG-CE3 4.48Å; L676-W713 HydrophobicContact CG-CZ3 3.98Å; Y677-W713 AromaticContact CD2-CE2 3.67Å; Y677-W713 HydrophobicContact CD2-CH2 4.36Å; Y677-W713 AromaticContact CD2-CZ2 3.56Å; Y677-W713 HydrophobicContact CD2-CZ2 3.56Å; Y677-W713 AromaticContact CD2-NE1 3.78Å; Y677-W713 HydrophobicContact CG-CH2 4.45Å; Y677-W713 AromaticContact CG-CZ2 3.99Å; Y677-W713 HydrophobicContact CG-CZ2 3.99Å; V680-W713 HydrophobicContact CG1-CB 4.43Å; V680-W713 HydrophobicContact CG1-CG 4.4Å; V680-W713 HydrophobicContact CG2-CB 4.35Å; V680-W713 HydrophobicContact CG2-CD2 4.26Å; V680-W713 HydrophobicContact CG2-CE3 4.05Å; V680-W713 HydrophobicContact CG2-CG 4.37Å; V709-W713 PolarHBondContact O-N 2.97Å; L710-W713 PolarHBondContact O-N 2.78Å; W713-N715 PolarHBondContact O-N 3.18Å; W713-L716 HydrophobicContact CE3-CD2 4.37Å; W713-L716 HydrophobicContact CZ3-CD2 4.29Å; W713-L716 WeakPolarHBondContact O-CB 3.5Å; W713-L716 PolarHBondContact O-N 3.17Å; W713-L716 VanDerWaalsContact O-N 3.14Å; W713-Q717 PolarHBondContact O-N 3.31Å
714D93.9Very high93.4Very high92 Ų9258.8 Ų58.849%0.49230%0.299SS..Hα-helixtrans-56.8-39.7178.2-76.4-17000111.6L710 Q717 A718L710-D714 WeakPolarHBondContact O-CB 3.45Å; L710-D714 PolarHBondContact O-N 2.86Å; D714-Q717 PolarHBondContact O-N 3.04Å; D714-A718 VanDerWaalsContact O-CB 3.3Å; D714-A718 WeakPolarHBondContact O-CB 3.31Å; D714-A718 PolarHBondContact O-N 3.36Å
715N93.8Very high93.2Very high75 Ų7559.4 Ų59.440%0.40130%0.299SS..Hα-helixtrans-67.7-44.5177-170.824.6000112.1Q645 H711 A712 W713 Q717 A718 M719Q645-N715 PolarHBondContact NE2-ND2 2.9Å; H711-N715 VanDerWaalsContact O-CB 3.27Å; H711-N715 WeakPolarHBondContact O-CB 3.46Å; H711-N715 PolarHBondContact O-N 3.12Å; H711-N715 VanDerWaalsContact O-N 3.16Å; A712-N715 PolarHBondContact O-N 3.48Å; W713-N715 PolarHBondContact O-N 3.18Å; N715-Q717 VanDerWaalsContact C-N 3.33Å; N715-Q717 PolarHBondContact O-N 2.85Å; N715-A718 PolarHBondContact O-N 3.42Å; N715-M719 WeakPolarHBondContact O-CG 3.24Å; N715-M719 PolarHBondContact O-N 3.48Å
716L94.3Very high93Very high0 Ų059.1 Ų59.10%030%0.3CS..Hα-helixtrans-58.9-45173.3172.360.9000111.2I641 K644 Q645 V648 L673 A712 W713 M719 C720I641-L716 HydrophobicContact CG2-CB 4.24Å; I641-L716 HydrophobicContact CG2-CD2 4.04Å; K644-L716 HydrophobicContact CB-CD1 4.42Å; K644-L716 HydrophobicContact CB-CD2 3.98Å; Q645-L716 HydrophobicContact CB-CD1 4.19Å; V648-L716 HydrophobicContact CG2-CD1 3.92Å; L673-L716 HydrophobicContact CD1-CD2 4.23Å; L673-L716 HydrophobicContact CD1-CG 4.31Å; L673-L716 HydrophobicContact CD2-CD2 3.86Å; A712-L716 WeakPolarHBondContact O-CB 3.35Å; A712-L716 PolarHBondContact O-N 3.1Å; W713-L716 HydrophobicContact CE3-CD2 4.37Å; W713-L716 HydrophobicContact CZ3-CD2 4.29Å; W713-L716 WeakPolarHBondContact O-CB 3.5Å; W713-L716 PolarHBondContact O-N 3.17Å; W713-L716 VanDerWaalsContact O-N 3.14Å; L716-M719 PolarHBondContact O-N 2.93Å; L716-C720 WeakPolarHBondContact O-CB 3.43Å; L716-C720 PolarHBondContact O-N 2.99Å; L716-C720 PolarHBondContact O-SG 3.36Å
717Q93.3Very high92.7Very high90 Ų9057.9 Ų57.942%0.42130%0.295SS..Hα-helixtrans-62.9-46.6177.5-174.1172.9-30.700111.3W713 D714 N715 M719 C720 D721W713-Q717 PolarHBondContact O-N 3.31Å; D714-Q717 PolarHBondContact O-N 3.04Å; N715-Q717 VanDerWaalsContact C-N 3.33Å; N715-Q717 PolarHBondContact O-N 2.85Å; Q717-M719 PolarHBondContact O-N 3.32Å; Q717-C720 WeakPolarHBondContact O-CB 3.4Å; Q717-C720 PolarHBondContact O-N 3.2Å; Q717-C720 VanDerWaalsContact O-N 3.1Å; Q717-D721 PolarHBondContact O-N 3.33Å
718A92.1Very high92.4Very high57 Ų5755.4 Ų55.447%0.47129%0.289SS..Hα-helixtrans-60.5-40.6176.100000112.8D714 N715 A722D714-A718 VanDerWaalsContact O-CB 3.3Å; D714-A718 WeakPolarHBondContact O-CB 3.31Å; D714-A718 PolarHBondContact O-N 3.36Å; N715-A718 PolarHBondContact O-N 3.42Å; A718-A722 WeakPolarHBondContact O-CB 3.24Å; A718-A722 PolarHBondContact O-N 2.92Å
719M91.9Very high92.1Very high64 Ų6452.3 Ų52.332%0.31528%0.276SS..Hα-helixtrans-63.1-40.8172.8-74.5-177.463.700111.8Q645 V648 N715 L716 Q717 R723Q645-M719 HydrophobicContact CG-CE 4.27Å; Q645-M719 HydrophobicContact CG-SD 3.54Å; Q645-M719 VanDerWaalsContact CG-SD 3.54Å; Q645-M719 PolarHBondContact NE2-SD 2.84Å; Q645-M719 VanDerWaalsContact NE2-SD 3.43Å; V648-M719 HydrophobicContact CB-CE 4.21Å; N715-M719 WeakPolarHBondContact O-CG 3.24Å; N715-M719 PolarHBondContact O-N 3.48Å; L716-M719 PolarHBondContact O-N 2.93Å; Q717-M719 PolarHBondContact O-N 3.32Å; M719-R723 WeakPolarHBondContact O-CB 3.46Å; M719-R723 PolarHBondContact O-N 3.28Å
720C92.3Very high91.7Very high2 Ų252.4 Ų52.41%0.01428%0.276CS..Hα-helixtrans-67.9-41.5178.7-69.60000112.9H666 L670 L716 Q717 R723 K724H666-C720 PolarHBondContact CE1-O 2.94Å; H666-C720 PolarHBondContact NE2-O 3.49Å; L670-C720 HydrophobicContact CD2-CB 3.78Å; L716-C720 WeakPolarHBondContact O-CB 3.43Å; L716-C720 PolarHBondContact O-N 2.99Å; L716-C720 PolarHBondContact O-SG 3.36Å; Q717-C720 WeakPolarHBondContact O-CB 3.4Å; Q717-C720 PolarHBondContact O-N 3.2Å; Q717-C720 VanDerWaalsContact O-N 3.1Å; C720-R723 PolarHBondContact O-N 2.89Å; C720-K724 WeakPolarHBondContact O-CB 3.48Å; C720-K724 PolarHBondContact O-N 3.41Å
721D89.9Confident91.3Very high74 Ų7451.7 Ų51.740%0.39628%0.277SS..Hα-helixtrans-69.6-40.9175.8-79.8-35.7000111.6Q717 R723 K724 Q725Q717-D721 PolarHBondContact O-N 3.33Å; D721-R723 VanDerWaalsContact C-N 3.33Å; D721-R723 PolarHBondContact O-N 2.94Å; D721-K724 WeakPolarHBondContact O-CB 3.47Å; D721-K724 PolarHBondContact O-N 3.34Å; D721-Q725 PolarHBondContact O-N 3.1Å
722A89.9Confident91Very high50 Ų5047.4 Ų47.441%0.41326%0.258SS..Hα-helixtrans-60.4-40.9172.900000112.1A718 K726A718-A722 WeakPolarHBondContact O-CB 3.24Å; A718-A722 PolarHBondContact O-N 2.92Å; A722-K726 WeakPolarHBondContact O-CG 3.45Å; A722-K726 PolarHBondContact O-N 3.08Å
723R91.4Very high90.8Very high28 Ų2847.4 Ų47.411%0.10626%0.257CS..Hα-helixtrans-65.7-43.9173.6-178.2172.2-169.9171.915.6112S649 E651 M719 C720 D721 Q725 K726 L727S649-R723 VanDerWaalsContact O-CD 3.3Å; S649-R723 WeakPolarHBondContact O-CD 3.34Å; S649-R723 PolarHBondContact O-NE 3.46Å; S649-R723 VanDerWaalsContact O-NE 3.15Å; S649-R723 PolarHBondContact O-NH1 2.91Å; S649-R723 PolarHBondContact O-NH2 3.18Å; S649-R723 PolarHBondContact OG-NH1 3.22Å; S649-R723 PolarHBondContact OG-NH2 3.22Å; E651-R723 PolarHBondContact O-NH2 3.2Å; M719-R723 WeakPolarHBondContact O-CB 3.46Å; M719-R723 PolarHBondContact O-N 3.28Å; C720-R723 PolarHBondContact O-N 2.89Å; D721-R723 VanDerWaalsContact C-N 3.33Å; D721-R723 PolarHBondContact O-N 2.94Å; R723-Q725 VanDerWaalsContact C-N 3.32Å; R723-Q725 PolarHBondContact O-N 2.95Å; R723-K726 PolarHBondContact O-N 3.3Å; R723-L727 HydrophobicContact CG-CD1 3.92Å; R723-L727 HydrophobicContact CG-CG 4.25Å; R723-L727 WeakPolarHBondContact O-CB 3.27Å; R723-L727 WeakPolarHBondContact O-CG 3.37Å; R723-L727 PolarHBondContact O-N 2.95Å
724K90.7Very high90.5Very high114 Ų11448.9 Ų48.950%0.49626%0.264SS..Hα-helixtrans-57.9-45.4178.1-178.3-177.2174.6-172.90111L670 C720 D721 L727 A728L670-K724 HydrophobicContact CD1-CD 4.41Å; C720-K724 WeakPolarHBondContact O-CB 3.48Å; C720-K724 PolarHBondContact O-N 3.41Å; D721-K724 WeakPolarHBondContact O-CB 3.47Å; D721-K724 PolarHBondContact O-N 3.34Å; K724-L727 PolarHBondContact O-N 2.93Å; K724-A728 WeakPolarHBondContact O-CB 3.48Å; K724-A728 PolarHBondContact O-N 2.81Å
725Q88.8Confident90.2Very high100 Ų10052 Ų5247%0.46727%0.269SS..Hα-helixtrans-64.3-50176.5-174.456.740.100111.6D721 R723 L727 A728 D729D721-Q725 PolarHBondContact O-N 3.1Å; R723-Q725 VanDerWaalsContact C-N 3.32Å; R723-Q725 PolarHBondContact O-N 2.95Å; Q725-L727 VanDerWaalsContact C-N 3.31Å; Q725-L727 PolarHBondContact O-N 3.48Å; Q725-A728 WeakPolarHBondContact O-CB 3.48Å; Q725-A728 PolarHBondContact O-N 2.91Å; Q725-A728 VanDerWaalsContact O-N 3.07Å; Q725-D729 VanDerWaalsContact NE2-CG 3.26Å; Q725-D729 PolarHBondContact NE2-OD1 3.15Å; Q725-D729 PolarHBondContact NE2-OD2 2.82Å; Q725-D729 WeakPolarHBondContact O-CB 3.35Å; Q725-D729 PolarHBondContact O-N 3.36Å
726K88.2Confident90.1Very high99 Ų9948.5 Ų48.543%0.4325%0.25SS..Hα-helixtrans-56.1-43.3176.2-73.3174.9-178.5176.60112.4L652 A722 R723 D729 T730L652-K726 HydrophobicContact CD2-CB 3.75Å; A722-K726 WeakPolarHBondContact O-CG 3.45Å; A722-K726 PolarHBondContact O-N 3.08Å; R723-K726 PolarHBondContact O-N 3.3Å; K726-D729 PolarHBondContact O-N 2.87Å; K726-T730 WeakPolarHBondContact O-CB 3.43Å; K726-T730 PolarHBondContact O-N 3Å; K726-T730 PolarHBondContact O-OG1 2.98Å
727L90.3Very high89.9Confident2 Ų251.2 Ų51.21%0.0126%0.262CS..Hα-helixtrans-67.5-32.7177.3-77.6174.1000113L652 V659 L662 Q663 H666 R723 K724 Q725 G731L652-L727 HydrophobicContact CD2-CD2 4.08Å; L652-L727 HydrophobicContact CD2-CG 4.29Å; V659-L727 WeakPolarHBondContact CG1-O 3.47Å; L662-L727 HydrophobicContact CB-CD1 4.48Å; L662-L727 HydrophobicContact CB-CD2 3.96Å; Q663-L727 HydrophobicContact CG-CB 3.92Å; Q663-L727 PolarHBondContact NE2-O 2.86Å; H666-L727 HydrophobicContact CB-CD1 3.98Å; R723-L727 HydrophobicContact CG-CD1 3.92Å; R723-L727 HydrophobicContact CG-CG 4.25Å; R723-L727 WeakPolarHBondContact O-CB 3.27Å; R723-L727 WeakPolarHBondContact O-CG 3.37Å; R723-L727 PolarHBondContact O-N 2.95Å; K724-L727 PolarHBondContact O-N 2.93Å; Q725-L727 VanDerWaalsContact C-N 3.31Å; Q725-L727 PolarHBondContact O-N 3.48Å; L727-G731 PolarHBondContact O-N 2.85Å
728A88.3Confident89.7Confident38 Ų3850.2 Ų50.231%0.31426%0.26SS..Hα-helixtrans-68.9-49173.300000110.9K724 Q725 T730 G731 D732K724-A728 WeakPolarHBondContact O-CB 3.48Å; K724-A728 PolarHBondContact O-N 2.81Å; Q725-A728 WeakPolarHBondContact O-CB 3.48Å; Q725-A728 PolarHBondContact O-N 2.91Å; Q725-A728 VanDerWaalsContact O-N 3.07Å; A728-T730 PolarHBondContact O-N 3.45Å; A728-G731 WeakPolarHBondContact O-CA 3.46Å; A728-G731 PolarHBondContact O-N 2.97Å; A728-D732 PolarHBondContact O-N 3.21Å
729D87.8Confident89.6Confident21 Ų2149.6 Ų49.611%0.11225%0.248CC..Hα-helixtrans-57-45.9176.6-75.6-28.9000111.9Q725 K726 G731 D732 L733 R800 H802Q725-D729 VanDerWaalsContact NE2-CG 3.26Å; Q725-D729 PolarHBondContact NE2-OD1 3.15Å; Q725-D729 PolarHBondContact NE2-OD2 2.82Å; Q725-D729 WeakPolarHBondContact O-CB 3.35Å; Q725-D729 PolarHBondContact O-N 3.36Å; K726-D729 PolarHBondContact O-N 2.87Å; D729-G731 VanDerWaalsContact C-N 3.27Å; D729-G731 PolarHBondContact O-N 3.09Å; D729-D732 PolarHBondContact O-N 2.91Å; D729-L733 PolarHBondContact O-N 3.38Å; D729-R800 IonicContact OD1-NH1 3.21Å; D729-H802 PolarHBondContact O-NE2 2.93Å
730T88.2Confident89.5Confident2 Ų246.9 Ų46.91%0.01224%0.235CC..Hα-helixtrans-61.1-35172.8-56.70000112.3L652 V659 K726 A728 L733 F734 Y803L652-T730 HydrophobicContact CB-CG2 4.31Å; V659-T730 HydrophobicContact CG2-CG2 3.65Å; K726-T730 WeakPolarHBondContact O-CB 3.43Å; K726-T730 PolarHBondContact O-N 3Å; K726-T730 PolarHBondContact O-OG1 2.98Å; A728-T730 PolarHBondContact O-N 3.45Å; T730-L733 WeakPolarHBondContact O-CB 3.32Å; T730-L733 PolarHBondContact O-N 3.43Å; T730-F734 HydrophobicContact CG2-CD2 3.91Å; T730-F734 HydrophobicContact CG2-CE2 3.61Å; T730-F734 WeakPolarHBondContact O-CD2 3.01Å; T730-F734 PolarHBondContact O-N 3.23Å; T730-Y803 WeakPolarHBondContact CG2-OH 3.48Å; T730-Y803 PolarHBondContact OG1-OH 2.83Å
731G87.8Confident89.5Confident19 Ų1953.8 Ų53.820%0.19626%0.26CS..Hα-helixtrans-64.5-46.8174.400000112.5L727 A728 D729 L733 F734 R735L727-G731 PolarHBondContact O-N 2.85Å; A728-G731 WeakPolarHBondContact O-CA 3.46Å; A728-G731 PolarHBondContact O-N 2.97Å; D729-G731 VanDerWaalsContact C-N 3.27Å; D729-G731 PolarHBondContact O-N 3.09Å; G731-L733 VanDerWaalsContact C-N 3.33Å; G731-L733 PolarHBondContact O-N 2.9Å; G731-F734 PolarHBondContact O-N 2.93Å; G731-R735 PolarHBondContact O-N 3.19Å
732D88.8Confident89.5Confident40 Ų4054.3 Ų54.321%0.21426%0.262CS..Hα-helixtrans-65-35.3176.1-77-20.9000111.9A728 D729 R735 F736 L797 R800A728-D732 PolarHBondContact O-N 3.21Å; D729-D732 PolarHBondContact O-N 2.91Å; D732-R735 WeakPolarHBondContact O-CB 3.39Å; D732-R735 PolarHBondContact O-N 2.74Å; D732-F736 WeakPolarHBondContact O-CB 3.14Å; D732-F736 PolarHBondContact O-N 3.2Å; D732-L797 HydrophobicContact CB-CD2 3.85Å; D732-R800 IonicContact OD2-NH1 2.76Å; D732-R800 PolarHBondContact OD2-NH1 2.72Å
733L89.3Confident89.4Confident9 Ų952.3 Ų52.35%0.04725%0.245CC..Hα-helixtrans-58.1-52172.4-179.973.9000112D729 T730 G731 R735 F736 F737 A804 I808D729-L733 PolarHBondContact O-N 3.38Å; T730-L733 WeakPolarHBondContact O-CB 3.32Å; T730-L733 PolarHBondContact O-N 3.43Å; G731-L733 VanDerWaalsContact C-N 3.33Å; G731-L733 PolarHBondContact O-N 2.9Å; L733-R735 VanDerWaalsContact C-N 3.31Å; L733-R735 PolarHBondContact O-N 2.87Å; L733-F736 WeakPolarHBondContact O-CB 3.44Å; L733-F736 PolarHBondContact O-N 3.26Å; L733-F737 HydrophobicContact CD1-CE1 3.95Å; L733-F737 HydrophobicContact CD1-CE2 3.96Å; L733-F737 HydrophobicContact CD1-CZ 3.63Å; L733-F737 HydrophobicContact CD2-CE2 4.03Å; L733-F737 HydrophobicContact CD2-CZ 4.41Å; L733-F737 HydrophobicContact CG-CD2 4.21Å; L733-F737 HydrophobicContact CG-CE2 3.86Å; L733-F737 HydrophobicContact CG-CZ 4.08Å; L733-F737 PolarHBondContact O-N 3.19Å; L733-A804 HydrophobicContact CD1-CB 3.85Å; L733-A804 HydrophobicContact CD2-CB 3.89Å; L733-I808 HydrophobicContact CD1-CD1 3.75Å; L733-I808 HydrophobicContact CD1-CG1 3.6Å
734F89.3Confident89.3Confident50 Ų5052.5 Ų52.522%0.21925%0.247CC..Hα-helixtrans-68.1-32.5-180-75.9-65.2000112.2R654 A656 V659 T730 G731 N738R654-F734 VanDerWaalsContact C-CZ 3.41Å; R654-F734 VanDerWaalsContact O-CZ 3.26Å; R654-F734 WeakPolarHBondContact O-CZ 3.47Å; A656-F734 HydrophobicContact CB-CB 4.07Å; V659-F734 HydrophobicContact CG2-CD2 3.77Å; V659-F734 HydrophobicContact CG2-CE2 3.77Å; T730-F734 HydrophobicContact CG2-CD2 3.91Å; T730-F734 HydrophobicContact CG2-CE2 3.61Å; T730-F734 WeakPolarHBondContact O-CD2 3.01Å; T730-F734 PolarHBondContact O-N 3.23Å; G731-F734 PolarHBondContact O-N 2.93Å; F734-N738 WeakPolarHBondContact O-CB 3.44Å; F734-N738 PolarHBondContact O-N 3.06Å
735R88.9Confident89.2Confident159 Ų15951.7 Ų51.760%0.625%0.247SC*.Hα-helixtrans-60.4-49.2170.2-178.3-179.3-179.9170.21.1111G731 D732 L733 N738 M739 L793G731-R735 PolarHBondContact O-N 3.19Å; D732-R735 WeakPolarHBondContact O-CB 3.39Å; D732-R735 PolarHBondContact O-N 2.74Å; L733-R735 VanDerWaalsContact C-N 3.31Å; L733-R735 PolarHBondContact O-N 2.87Å; R735-N738 PolarHBondContact O-N 2.88Å; R735-M739 HydrophobicContact CG-SD 4.39Å; R735-M739 WeakPolarHBondContact O-CG 3.35Å; R735-M739 PolarHBondContact O-N 2.86Å; R735-L793 HydrophobicContact CG-CD2 4.19Å
736F91.2Very high89.4Confident0 Ų048.4 Ų48.40%023%0.231CC..Hα-helixtrans-58.6-50.7176.3167.7-103.5000111.8D732 L733 N738 M739 V740 C790 L793 L797 I808 R811 L812D732-F736 WeakPolarHBondContact O-CB 3.14Å; D732-F736 PolarHBondContact O-N 3.2Å; L733-F736 WeakPolarHBondContact O-CB 3.44Å; L733-F736 PolarHBondContact O-N 3.26Å; F736-N738 VanDerWaalsContact C-N 3.3Å; F736-N738 PolarHBondContact O-N 3.47Å; F736-M739 PolarHBondContact O-N 3.4Å; F736-M739 VanDerWaalsContact O-N 3.13Å; F736-V740 HydrophobicContact CD2-CG2 4.18Å; F736-V740 HydrophobicContact CE1-CG2 4.01Å; F736-V740 HydrophobicContact CE2-CG2 3.61Å; F736-V740 HydrophobicContact CZ-CG2 3.51Å; F736-V740 WeakPolarHBondContact O-CG2 3.47Å; F736-V740 PolarHBondContact O-N 3Å; F736-C790 WeakPolarHBondContact CE2-O 3.47Å; F736-L793 HydrophobicContact CB-CD2 3.92Å; F736-L793 HydrophobicContact CB-CG 4.24Å; F736-L797 HydrophobicContact CB-CD1 3.98Å; F736-L797 HydrophobicContact CG-CD1 4.33Å; F736-I808 HydrophobicContact CD1-CG1 4.27Å; F736-I808 HydrophobicContact CD1-CG2 4.4Å; F736-I808 HydrophobicContact CE1-CB 4.25Å; F736-I808 HydrophobicContact CE1-CG1 4.24Å; F736-I808 HydrophobicContact CE1-CG2 3.91Å; F736-I808 HydrophobicContact CZ-CG2 4.14Å; F736-R811 HydrophobicContact CE1-CB 3.88Å; F736-R811 HydrophobicContact CZ-CB 4.03Å; F736-L812 HydrophobicContact CE2-CD2 3.75Å; F736-L812 HydrophobicContact CE2-CG 4.14Å; F736-L812 HydrophobicContact CZ-CD2 3.93Å; F736-L812 HydrophobicContact CZ-CG 3.83Å
737F90.6Very high89.3Confident57 Ų5744 Ų4425%0.2521%0.212CC..Hα-helixtrans-59.5-37.9177.5-73.1-15.2000113L733 R741 D807 R811L733-F737 HydrophobicContact CD1-CE1 3.95Å; L733-F737 HydrophobicContact CD1-CE2 3.96Å; L733-F737 HydrophobicContact CD1-CZ 3.63Å; L733-F737 HydrophobicContact CD2-CE2 4.03Å; L733-F737 HydrophobicContact CD2-CZ 4.41Å; L733-F737 HydrophobicContact CG-CD2 4.21Å; L733-F737 HydrophobicContact CG-CE2 3.86Å; L733-F737 HydrophobicContact CG-CZ 4.08Å; L733-F737 PolarHBondContact O-N 3.19Å; F737-R741 WeakPolarHBondContact O-CB 3.44Å; F737-R741 PolarHBondContact O-N 3.47Å; F737-D807 HydrophobicContact CE1-CB 4.29Å; F737-D807 HydrophobicContact CZ-CB 3.81Å; F737-R811 HydrophobicContact CD1-CG 4.15Å; F737-R811 HydrophobicContact CE1-CG 3.93Å
738N88.9Confident89.2Confident70 Ų7049.8 Ų49.837%0.37424%0.239SC..Hα-helixtrans-69.1-38175.9-170.955.7000112.2F734 R735 F736 R741 I742F734-N738 WeakPolarHBondContact O-CB 3.44Å; F734-N738 PolarHBondContact O-N 3.06Å; R735-N738 PolarHBondContact O-N 2.88Å; F736-N738 VanDerWaalsContact C-N 3.3Å; F736-N738 PolarHBondContact O-N 3.47Å; N738-R741 PolarHBondContact O-N 3.14Å; N738-R741 PolarHBondContact OD1-NH2 3.27Å; N738-I742 WeakPolarHBondContact ND2-CD1 3.46Å; N738-I742 VanDerWaalsContact O-CG1 3.28Å; N738-I742 WeakPolarHBondContact O-CG1 3.49Å; N738-I742 PolarHBondContact O-N 2.97Å
739M89.9Confident89.1Confident44 Ų4450.6 Ų50.622%0.21724%0.238CC..Hα-helixtrans-61.7-47.2173-70.3176.372.700111.7R735 F736 R741 I742 L743 A789 C790 L793R735-M739 HydrophobicContact CG-SD 4.39Å; R735-M739 WeakPolarHBondContact O-CG 3.35Å; R735-M739 PolarHBondContact O-N 2.86Å; F736-M739 PolarHBondContact O-N 3.4Å; F736-M739 VanDerWaalsContact O-N 3.13Å; M739-R741 VanDerWaalsContact C-N 3.34Å; M739-R741 PolarHBondContact O-N 3.17Å; M739-I742 PolarHBondContact O-N 3.3Å; M739-L743 WeakPolarHBondContact O-CG 3.47Å; M739-L743 PolarHBondContact O-N 3.21Å; M739-A789 HydrophobicContact CE-CB 4.11Å; M739-C790 HydrophobicContact CB-CB 4.31Å; M739-C790 HydrophobicContact CE-CB 3.98Å; M739-L793 HydrophobicContact SD-CD2 4.03Å
740V90.1Very high89.1Confident7 Ų749.6 Ų49.64%0.04223%0.232CC..Hα-helixtrans-56.9-48.1175.11740000110.7F736 I742 L743 M744 C790 R811 L815F736-V740 HydrophobicContact CD2-CG2 4.18Å; F736-V740 HydrophobicContact CE1-CG2 4.01Å; F736-V740 HydrophobicContact CE2-CG2 3.61Å; F736-V740 HydrophobicContact CZ-CG2 3.51Å; F736-V740 WeakPolarHBondContact O-CG2 3.47Å; F736-V740 PolarHBondContact O-N 3Å; V740-I742 PolarHBondContact O-N 3.5Å; V740-L743 PolarHBondContact O-N 2.9Å; V740-M744 HydrophobicContact CG1-CG 4.16Å; V740-M744 WeakPolarHBondContact O-CB 3.36Å; V740-M744 VanDerWaalsContact O-CG 3.25Å; V740-M744 WeakPolarHBondContact O-CG 2.84Å; V740-M744 PolarHBondContact O-N 2.97Å; V740-C790 VanDerWaalsContact CG2-SG 3.58Å; V740-R811 HydrophobicContact CG1-CB 4.3Å; V740-R811 HydrophobicContact CG2-CB 4.33Å; V740-L815 HydrophobicContact CG1-CD1 4.44Å; V740-L815 HydrophobicContact CG2-CD2 4.47Å
741R90.6Very high88.9Confident146 Ų14651.4 Ų51.455%0.55124%0.243SC*.Hα-helixtrans-60.6-43.9-179.3-173.3-178.267.3116.20.9112.5F737 N738 M739 M744 I745F737-R741 WeakPolarHBondContact O-CB 3.44Å; F737-R741 PolarHBondContact O-N 3.47Å; N738-R741 PolarHBondContact O-N 3.14Å; N738-R741 PolarHBondContact OD1-NH2 3.27Å; M739-R741 VanDerWaalsContact C-N 3.34Å; M739-R741 PolarHBondContact O-N 3.17Å; R741-M744 PolarHBondContact O-N 3.48Å; R741-I745 HydrophobicContact CG-CD1 4.04Å; R741-I745 WeakPolarHBondContact O-CG1 3.36Å; R741-I745 PolarHBondContact O-N 3.16Å; R741-I745 VanDerWaalsContact O-N 3.15Å
742I89.8Confident88.8Confident85 Ų8557.7 Ų57.744%0.43626%0.261SS..Hα-helixtrans-64.1-44.9178.8-70.3166000110.7N738 M739 V740 W746N738-I742 WeakPolarHBondContact ND2-CD1 3.46Å; N738-I742 VanDerWaalsContact O-CG1 3.28Å; N738-I742 WeakPolarHBondContact O-CG1 3.49Å; N738-I742 PolarHBondContact O-N 2.97Å; M739-I742 PolarHBondContact O-N 3.3Å; V740-I742 PolarHBondContact O-N 3.5Å; I742-W746 PolarHBondContact O-N 3.48Å; I742-W746 VanDerWaalsContact O-N 3.13Å
743L88.9Confident88.5Confident8 Ų859.2 Ų59.24%0.04227%0.267CS..Hα-helixtrans-65.7-41178.7-69.6170.9000112.2M739 V740 W746 M747 N786 F787 C790 L815M739-L743 WeakPolarHBondContact O-CG 3.47Å; M739-L743 PolarHBondContact O-N 3.21Å; V740-L743 PolarHBondContact O-N 2.9Å; L743-W746 PolarHBondContact O-N 2.57Å; L743-M747 VanDerWaalsContact O-CG 3.31Å; L743-M747 WeakPolarHBondContact O-CG 3.49Å; L743-M747 PolarHBondContact O-N 2.89Å; L743-N786 HydrophobicContact CD2-CB 3.99Å; L743-F787 HydrophobicContact CB-CE1 4.01Å; L743-F787 HydrophobicContact CB-CZ 4.25Å; L743-F787 HydrophobicContact CD1-CD1 3.92Å; L743-F787 HydrophobicContact CD1-CE1 4.1Å; L743-F787 HydrophobicContact CD1-CG 4.35Å; L743-F787 HydrophobicContact CD2-CD2 4.37Å; L743-F787 HydrophobicContact CD2-CE1 4.22Å; L743-F787 HydrophobicContact CD2-CE2 4.06Å; L743-F787 HydrophobicContact CD2-CZ 3.97Å; L743-F787 HydrophobicContact CG-CE1 4.34Å; L743-C790 HydrophobicContact CD1-CB 3.75Å; L743-L815 HydrophobicContact CB-CD1 3.7Å; L743-L815 HydrophobicContact CD1-CD1 4.11Å; L743-L815 HydrophobicContact CD1-CD2 4.21Å
744M88.2Confident88.2Confident33 Ų3359 Ų5916%0.16327%0.266CS..Hα-helixtrans-59.6-49.4176.3-73.3-69.4-63.300112.2V740 R741 W746 M747 E748 T814 L815V740-M744 HydrophobicContact CG1-CG 4.16Å; V740-M744 WeakPolarHBondContact O-CB 3.36Å; V740-M744 VanDerWaalsContact O-CG 3.25Å; V740-M744 WeakPolarHBondContact O-CG 2.84Å; V740-M744 PolarHBondContact O-N 2.97Å; R741-M744 PolarHBondContact O-N 3.48Å; M744-W746 VanDerWaalsContact C-N 3.31Å; M744-W746 PolarHBondContact O-N 3.46Å; M744-M747 HydrophobicContact CG-CE 4.37Å; M744-M747 PolarHBondContact O-N 3.38Å; M744-M747 HydrophobicContact SD-CE 3.62Å; M744-E748 WeakPolarHBondContact O-CG 3.48Å; M744-E748 PolarHBondContact O-N 2.74Å; M744-T814 HydrophobicContact CE-CG2 3.93Å; M744-T814 HydrophobicContact SD-CG2 4.18Å; M744-L815 HydrophobicContact CG-CD1 4.43Å; M744-L815 HydrophobicContact SD-CD1 4.5Å
745I89.8Confident87.8Confident97 Ų9761.5 Ų61.550%0.49728%0.282SS..Hα-helixtrans-60.7-41.2178.7-67.1166.4000111.2R741 E748 D749R741-I745 HydrophobicContact CG-CD1 4.04Å; R741-I745 WeakPolarHBondContact O-CG1 3.36Å; R741-I745 PolarHBondContact O-N 3.16Å; R741-I745 VanDerWaalsContact O-N 3.15Å; I745-E748 PolarHBondContact O-N 3.24Å; I745-D749 PolarHBondContact O-N 2.77Å; I745-D749 VanDerWaalsContact O-N 3.1Å
746W92Very high87.1Confident31 Ų3158.8 Ų58.812%0.11728%0.282CS..Hα-helixtrans-65.7-42.3177.3169.579.5000112.4I742 L743 M744 E748 D749 L750 E779 I780 R783 F787 L822I742-W746 PolarHBondContact O-N 3.48Å; I742-W746 VanDerWaalsContact O-N 3.13Å; L743-W746 PolarHBondContact O-N 2.57Å; M744-W746 VanDerWaalsContact C-N 3.31Å; M744-W746 PolarHBondContact O-N 3.46Å; W746-E748 PolarHBondContact O-N 3.32Å; W746-D749 PolarHBondContact O-N 2.9Å; W746-L750 HydrophobicContact CH2-CD2 3.96Å; W746-L750 HydrophobicContact CZ2-CD2 3.7Å; W746-L750 PolarHBondContact O-N 2.97Å; W746-E779 HydrophobicContact CZ2-CG 4.24Å; W746-E779 PolarHBondContact NE1-OE1 3.42Å; W746-I780 HydrophobicContact CH2-CG1 4.27Å; W746-R783 HydrophobicContact CD2-CG 4.32Å; W746-R783 HydrophobicContact CH2-CB 3.83Å; W746-R783 HydrophobicContact CH2-CG 3.94Å; W746-R783 HydrophobicContact CZ2-CB 3.99Å; W746-R783 HydrophobicContact CZ2-CG 3.56Å; W746-R783 HydrophobicContact CZ3-CB 4.21Å; W746-R783 HydrophobicContact CZ3-CG 4.44Å; W746-F787 HydrophobicContact CE3-CE2 4.24Å; W746-F787 HydrophobicContact CE3-CZ 4.08Å; W746-F787 HydrophobicContact CH2-CE2 4.36Å; W746-F787 AromaticContact CZ3-CE2 3.58Å; W746-F787 HydrophobicContact CZ3-CE2 3.58Å; W746-F787 AromaticContact CZ3-CZ 3.67Å; W746-F787 HydrophobicContact CZ3-CZ 3.67Å; W746-L822 HydrophobicContact CH2-CD2 4.11Å; W746-L822 HydrophobicContact CZ3-CD2 4.03Å
747M87Confident85.8Confident6 Ų663.8 Ų63.83%0.0332%0.317CS..Hα-helixtrans-62.5-41.4175.4-69.9-170.8-72.400112.1L743 M744 L750 V751 F787 L815 S818 R819 L822L743-M747 VanDerWaalsContact O-CG 3.31Å; L743-M747 WeakPolarHBondContact O-CG 3.49Å; L743-M747 PolarHBondContact O-N 2.89Å; M744-M747 HydrophobicContact CG-CE 4.37Å; M744-M747 PolarHBondContact O-N 3.38Å; M744-M747 HydrophobicContact SD-CE 3.62Å; M747-L750 PolarHBondContact O-N 3.43Å; M747-V751 WeakPolarHBondContact O-CG2 3.34Å; M747-V751 PolarHBondContact O-N 3.38Å; M747-F787 HydrophobicContact CE-CE1 3.93Å; M747-F787 HydrophobicContact CE-CZ 4.25Å; M747-F787 HydrophobicContact CG-CE1 4.42Å; M747-F787 HydrophobicContact CG-CZ 3.81Å; M747-F787 HydrophobicContact SD-CE1 3.67Å; M747-F787 HydrophobicContact SD-CZ 3.57Å; M747-F787 VanDerWaalsContact SD-CZ 3.57Å; M747-L815 HydrophobicContact CE-CD1 3.83Å; M747-S818 VanDerWaalsContact CE-CB 3.49Å; M747-R819 VanDerWaalsContact SD-CA 3.58Å; M747-R819 HydrophobicContact SD-CB 4.04Å; M747-R819 PolarHBondContact SD-N 3.36Å; M747-L822 HydrophobicContact CG-CD2 4.04Å
748E87.4Confident84.4Confident124 Ų12468.5 Ų68.558%0.57934%0.34SS*.Hα-helixtrans-62.4-40.9177.2-73.9171.5-165.300112.1M744 I745 W746 R752M744-E748 WeakPolarHBondContact O-CG 3.48Å; M744-E748 PolarHBondContact O-N 2.74Å; I745-E748 PolarHBondContact O-N 3.24Å; W746-E748 PolarHBondContact O-N 3.32Å; E748-R752 PolarHBondContact O-N 3.41Å; E748-R752 VanDerWaalsContact O-N 3.08Å
749D87.3Confident83.5Confident54 Ų5474.3 Ų74.329%0.28936%0.362SS..Hα-helixtrans-65.8-44175.2-162.585.1000111.8I745 W746 V751 R752 Q753I745-D749 PolarHBondContact O-N 2.77Å; I745-D749 VanDerWaalsContact O-N 3.1Å; W746-D749 PolarHBondContact O-N 2.9Å; D749-V751 PolarHBondContact O-N 2.69Å; D749-R752 WeakPolarHBondContact O-CA 3.48Å; D749-R752 VanDerWaalsContact O-CB 3.29Å; D749-R752 WeakPolarHBondContact O-CB 3.47Å; D749-R752 PolarHBondContact O-N 3.07Å; D749-R752 IonicContact OD1-CZ 2.69Å; D749-R752 IonicContact OD1-NH1 3.8Å; D749-R752 PolarHBondContact OD1-NH1 3.24Å; D749-R752 IonicContact OD1-NH2 2.64Å; D749-R752 PolarHBondContact OD1-NH2 3.28Å; D749-R752 IonicContact OD2-NH2 2.72Å; D749-Q753 WeakPolarHBondContact O-CG 3.07Å; D749-Q753 PolarHBondContact O-N 3.18Å; D749-Q753 PolarHBondContact OD2-NE2 3.35Å
750L86.2Confident82.5Confident1 Ų173.3 Ų73.31%0.00536%0.359CS..Hα-helixtrans-67-38-179.8-156.172.7000112.5W746 M747 R752 Q753 M754 L776 E779 I780 L822W746-L750 HydrophobicContact CH2-CD2 3.96Å; W746-L750 HydrophobicContact CZ2-CD2 3.7Å; W746-L750 PolarHBondContact O-N 2.97Å; M747-L750 PolarHBondContact O-N 3.43Å; L750-R752 VanDerWaalsContact C-N 3.29Å; L750-R752 PolarHBondContact O-N 2.98Å; L750-Q753 PolarHBondContact O-N 3.11Å; L750-M754 WeakPolarHBondContact O-CG 3.38Å; L750-M754 PolarHBondContact O-N 3.1Å; L750-L776 HydrophobicContact CD1-CD2 3.84Å; L750-E779 WeakPolarHBondContact CD1-OE2 3.35Å; L750-I780 HydrophobicContact CD2-CD1 3.99Å; L750-I780 HydrophobicContact CD2-CG1 3.37Å; L750-L822 HydrophobicContact CB-CD1 4.17Å; L750-L822 HydrophobicContact CD2-CD1 4.18Å; L750-L822 HydrophobicContact CD2-CD2 4.35Å; L750-L822 HydrophobicContact CG-CD1 4.49Å
751V84.8Confident81.6Confident40 Ų4083.7 Ų83.724%0.24240%0.398CS..Hα-helixtrans-60.2-40.3169171.40000110.8M747 D749 Q753 M754 N755 L822M747-V751 WeakPolarHBondContact O-CG2 3.34Å; M747-V751 PolarHBondContact O-N 3.38Å; D749-V751 PolarHBondContact O-N 2.69Å; V751-Q753 PolarHBondContact O-N 2.91Å; V751-M754 HydrophobicContact CG2-CE 4.19Å; V751-M754 PolarHBondContact O-N 3.47Å; V751-N755 PolarHBondContact O-N 3.34Å; V751-N755 PolarHBondContact O-ND2 2.87Å; V751-N755 VanDerWaalsContact O-ND2 3.11Å; V751-L822 HydrophobicContact CG2-CD1 3.53Å
752R86Confident80.9Confident150 Ų15080.2 Ų80.257%0.56639%0.39SS*.Hα-helixtrans-62.2-43176.7-163-176.973-111.2-10.2111.7E748 D749 L750 M754 N755 T756E748-R752 PolarHBondContact O-N 3.41Å; E748-R752 VanDerWaalsContact O-N 3.08Å; D749-R752 WeakPolarHBondContact O-CA 3.48Å; D749-R752 VanDerWaalsContact O-CB 3.29Å; D749-R752 WeakPolarHBondContact O-CB 3.47Å; D749-R752 PolarHBondContact O-N 3.07Å; D749-R752 IonicContact OD1-CZ 2.69Å; D749-R752 IonicContact OD1-NH1 3.8Å; D749-R752 PolarHBondContact OD1-NH1 3.24Å; D749-R752 IonicContact OD1-NH2 2.64Å; D749-R752 PolarHBondContact OD1-NH2 3.28Å; D749-R752 IonicContact OD2-NH2 2.72Å; L750-R752 VanDerWaalsContact C-N 3.29Å; L750-R752 PolarHBondContact O-N 2.98Å; R752-M754 VanDerWaalsContact C-N 3.35Å; R752-N755 PolarHBondContact O-N 3.37Å; R752-T756 PolarHBondContact O-N 2.94Å
753Q83.1Confident80.3Confident73 Ų7377 Ų7734%0.34137%0.374SS..Hα-helixtrans-64.4-35.7176.3-65-17843.200112.7D749 L750 V751 N755 T756D749-Q753 WeakPolarHBondContact O-CG 3.07Å; D749-Q753 PolarHBondContact O-N 3.18Å; D749-Q753 PolarHBondContact OD2-NE2 3.35Å; L750-Q753 PolarHBondContact O-N 3.11Å; V751-Q753 PolarHBondContact O-N 2.91Å; Q753-N755 VanDerWaalsContact C-N 3.32Å; Q753-N755 PolarHBondContact O-N 2.93Å; Q753-T756 PolarHBondContact O-OG1 2.99Å
754M81.6Confident79.9Confident5 Ų580.2 Ų80.23%0.02540%0.397CS..Hα-helixtrans-67.4-30.7174.6-71.2-170.1-67.700113.3L750 V751 R752 H773 L776 L822 R825 W826 R829L750-M754 WeakPolarHBondContact O-CG 3.38Å; L750-M754 PolarHBondContact O-N 3.1Å; V751-M754 HydrophobicContact CG2-CE 4.19Å; V751-M754 PolarHBondContact O-N 3.47Å; R752-M754 VanDerWaalsContact C-N 3.35Å; M754-H773 WeakPolarHBondContact CG-NE2 3.42Å; M754-H773 PolarHBondContact SD-NE2 3.48Å; M754-L776 HydrophobicContact CG-CD1 3.7Å; M754-L822 HydrophobicContact CE-CD1 3.45Å; M754-L822 VanDerWaalsContact CE-CD1 3.45Å; M754-L822 HydrophobicContact CE-CG 4.38Å; M754-R825 HydrophobicContact CE-CB 4.25Å; M754-W826 HydrophobicContact SD-CB 3.77Å; M754-W826 HydrophobicContact SD-CG 4.16Å; M754-R829 WeakPolarHBondContact O-CD 3.46Å; M754-R829 PolarHBondContact O-NE 3.37Å; M754-R829 VanDerWaalsContact O-NE 3.08Å; M754-R829 PolarHBondContact O-NH1 2.99Å; M754-R829 PolarHBondContact O-NH2 2.88Å
755N80.6Confident79.5Confident102 Ų10279.6 Ų79.655%0.54540%0.399SS..Hα-helixtrans-79.6-17.4-178.1-68.7-33.8000114.2V751 R752 Q753 S757V751-N755 PolarHBondContact O-N 3.34Å; V751-N755 PolarHBondContact O-ND2 2.87Å; V751-N755 VanDerWaalsContact O-ND2 3.11Å; R752-N755 PolarHBondContact O-N 3.37Å; Q753-N755 VanDerWaalsContact C-N 3.32Å; Q753-N755 PolarHBondContact O-N 2.93Å; N755-S757 PolarHBondContact O-N 3.37Å
756T75.6Confident79Confident101 Ų10175 Ų7562%0.6238%0.375SS*.  trans-75.8114.3173.541.50000110.8R752 Q753 R829R752-T756 PolarHBondContact O-N 2.94Å; Q753-T756 PolarHBondContact O-OG1 2.99Å; T756-R829 PolarHBondContact O-NH2 2.79Å
757S62.6Low78.6Confident105 Ų10577.9 Ų77.973%0.73439%0.39SS*.  trans-122.1132.9-177.754.40000112.5N755N755-S757 PolarHBondContact O-N 3.37Å
758E62Low78.4Confident157 Ų15783.7 Ų83.773%0.73442%0.421SS*.PPolyproline II helixtrans-97.6142.4166.3-159.1169.4-155.500108.2P760 L769E758-P760 WeakPolarHBondContact O-CD 3.31Å; E758-L769 WeakPolarHBondContact O-CD1 3.35Å
759K69.3Low78.2Confident191 Ų19179.2 Ų79.283%0.8340%0.401SS*.PPolyproline II helixtrans-79.2119.9-179.3-74.5-171.3176.7-174.50110.1
760P70.2Confident78Confident23 Ų2377.7 Ų77.715%0.14939%0.392CS..PPolyproline II helixtrans-63.3149.1174.425-30.6000110.7E758 V766 L769 I836 Y840E758-P760 WeakPolarHBondContact O-CD 3.31Å; P760-V766 HydrophobicContact CB-CB 4.42Å; P760-V766 HydrophobicContact CB-CG2 3.51Å; P760-V766 HydrophobicContact CG-CG2 3.82Å; P760-L769 HydrophobicContact CB-CD1 4.32Å; P760-L769 HydrophobicContact CG-CD1 4.39Å; P760-I836 HydrophobicContact CG-CG2 3.83Å; P760-Y840 HydrophobicContact CG-CE2 4.38Å; P760-Y840 PolarHBondContact O-OH 2.82Å
761R71.4Confident78Confident226 Ų22683 Ų8385%0.85342%0.421SS*.  trans-111.4-24.1-178.8-64.7-176.9-178.71791.6112.8
762D75.3Confident77.9Confident73 Ų7385.6 Ų85.639%0.3943%0.433SS..SBendtrans-152.3174.2-175.971.5-37.3000109.8S764 G765 V766D762-S764 VanDerWaalsContact C-N 3.31Å; D762-S764 PolarHBondContact O-N 3.25Å; D762-S764 VanDerWaalsContact OD2-CB 3.27Å; D762-S764 WeakPolarHBondContact OD2-CB 3.45Å; D762-S764 PolarHBondContact OD2-OG 2.99Å; D762-G765 PolarHBondContact O-N 3.08Å; D762-G765 PolarHBondContact OD1-N 3.43Å; D762-V766 PolarHBondContact O-N 3.44Å
763V77.3Confident78Confident18 Ų1878.4 Ų78.411%0.10941%0.406CS..Hα-helixtrans-55.1-45.6178.8-179.20000111.3G765 V766 E767 L837 Q841V763-G765 VanDerWaalsContact C-N 3.33Å; V763-G765 PolarHBondContact O-N 3.2Å; V763-V766 WeakPolarHBondContact O-CB 3.45Å; V763-V766 PolarHBondContact O-N 3.22Å; V763-V766 VanDerWaalsContact O-N 3.09Å; V763-E767 PolarHBondContact O-N 3.36Å; V763-L837 HydrophobicContact CG1-CD1 3.7Å; V763-Q841 HydrophobicContact CG1-CG 3.99Å; V763-Q841 HydrophobicContact CG2-CG 4.08Å
764S79.3Confident78.2Confident74 Ų7479 Ų7952%0.51741%0.409SS..Hα-helixtrans-61-38.4-179.3-20.90000112.8D762 V766 E767 L768D762-S764 VanDerWaalsContact C-N 3.31Å; D762-S764 PolarHBondContact O-N 3.25Å; D762-S764 VanDerWaalsContact OD2-CB 3.27Å; D762-S764 WeakPolarHBondContact OD2-CB 3.45Å; D762-S764 PolarHBondContact OD2-OG 2.99Å; S764-V766 VanDerWaalsContact C-N 3.31Å; S764-V766 PolarHBondContact O-N 3.48Å; S764-E767 PolarHBondContact O-N 3.45Å; S764-L768 PolarHBondContact O-N 2.95Å; S764-L768 VanDerWaalsContact O-N 3.14Å
765G80.7Confident78.4Confident20 Ų2082.6 Ų82.621%0.20643%0.434CS..Hα-helixtrans-64.9-31.6175.500000113.7D762 V763 L769D762-G765 PolarHBondContact O-N 3.08Å; D762-G765 PolarHBondContact OD1-N 3.43Å; V763-G765 VanDerWaalsContact C-N 3.33Å; V763-G765 PolarHBondContact O-N 3.2Å; G765-L769 WeakPolarHBondContact O-CG 3.38Å; G765-L769 PolarHBondContact O-N 2.96Å
766V80.3Confident78.7Confident0 Ų078.3 Ų78.30%041%0.411CS..Hα-helixtrans-71.2-44.9174.3-170.80000110.6P760 D762 V763 S764 L768 L769 M770 L833 I836 L837 Y840P760-V766 HydrophobicContact CB-CB 4.42Å; P760-V766 HydrophobicContact CB-CG2 3.51Å; P760-V766 HydrophobicContact CG-CG2 3.82Å; D762-V766 PolarHBondContact O-N 3.44Å; V763-V766 WeakPolarHBondContact O-CB 3.45Å; V763-V766 PolarHBondContact O-N 3.22Å; V763-V766 VanDerWaalsContact O-N 3.09Å; S764-V766 VanDerWaalsContact C-N 3.31Å; S764-V766 PolarHBondContact O-N 3.48Å; V766-L768 VanDerWaalsContact C-N 3.28Å; V766-L768 PolarHBondContact O-N 2.88Å; V766-L769 PolarHBondContact O-N 3.49Å; V766-L769 VanDerWaalsContact O-N 3.1Å; V766-M770 HydrophobicContact CG1-CG 4.47Å; V766-M770 HydrophobicContact CG1-SD 4.27Å; V766-M770 WeakPolarHBondContact O-CG 3.45Å; V766-M770 PolarHBondContact O-N 3.35Å; V766-L833 WeakPolarHBondContact CG1-O 3.36Å; V766-I836 HydrophobicContact CG1-CG2 4.29Å; V766-I836 HydrophobicContact CG2-CG2 3.8Å; V766-L837 HydrophobicContact CB-CB 4.42Å; V766-L837 HydrophobicContact CB-CD1 3.87Å; V766-L837 HydrophobicContact CG1-CB 3.79Å; V766-L837 HydrophobicContact CG1-CD1 4.09Å; V766-Y840 HydrophobicContact CG2-CD2 4.18Å
767E81.7Confident79.3Confident92 Ų9275.7 Ų75.743%0.4339%0.391SS..Hα-helixtrans-60.4-35.4179.1-67.5176.817800112.4V763 S764 M770 N771 L837V763-E767 PolarHBondContact O-N 3.36Å; S764-E767 PolarHBondContact O-N 3.45Å; E767-M770 PolarHBondContact O-N 2.97Å; E767-N771 PolarHBondContact O-N 3.03Å; E767-N771 PolarHBondContact O-ND2 3.06Å; E767-L837 HydrophobicContact CG-CD1 3.8Å
768L84.1Confident80.4Confident128 Ų12873.2 Ų73.267%0.6738%0.377SS*.Hα-helixtrans-66.4-42.2173.9-177.262.8000112.4S764 V766 M770 N771 N772S764-L768 PolarHBondContact O-N 2.95Å; S764-L768 VanDerWaalsContact O-N 3.14Å; V766-L768 VanDerWaalsContact C-N 3.28Å; V766-L768 PolarHBondContact O-N 2.88Å; L768-M770 VanDerWaalsContact C-N 3.34Å; L768-N771 PolarHBondContact O-N 2.69Å; L768-N772 PolarHBondContact O-N 2.97Å
769L83.4Confident81.6Confident30 Ų3068.9 Ų68.916%0.15736%0.357CS..Hα-helixtrans-65.7-37.4176.4-71.3170.6000111.7E758 P760 G765 V766 N772 H773 L833E758-L769 WeakPolarHBondContact O-CD1 3.35Å; P760-L769 HydrophobicContact CB-CD1 4.32Å; P760-L769 HydrophobicContact CG-CD1 4.39Å; G765-L769 WeakPolarHBondContact O-CG 3.38Å; G765-L769 PolarHBondContact O-N 2.96Å; V766-L769 PolarHBondContact O-N 3.49Å; V766-L769 VanDerWaalsContact O-N 3.1Å; L769-N772 PolarHBondContact O-N 3.44Å; L769-H773 WeakPolarHBondContact O-CB 3.25Å; L769-H773 PolarHBondContact O-N 3.31Å; L769-L833 HydrophobicContact CB-CD1 4.42Å; L769-L833 HydrophobicContact CB-CD2 3.93Å; L769-L833 HydrophobicContact CD1-CD2 4.34Å
770M83.4Confident82.5Confident22 Ų2260 Ų6011%0.10832%0.319CS..Hα-helixtrans-62.8-46.9172.6-69.5-179.477.600111.3V766 E767 L768 N772 H773 Q774 W830 L833 Q834 L837V766-M770 HydrophobicContact CG1-CG 4.47Å; V766-M770 HydrophobicContact CG1-SD 4.27Å; V766-M770 WeakPolarHBondContact O-CG 3.45Å; V766-M770 PolarHBondContact O-N 3.35Å; E767-M770 PolarHBondContact O-N 2.97Å; L768-M770 VanDerWaalsContact C-N 3.34Å; M770-N772 PolarHBondContact O-N 2.9Å; M770-H773 PolarHBondContact O-N 3.33Å; M770-H773 VanDerWaalsContact O-N 3.17Å; M770-Q774 PolarHBondContact O-N 3Å; M770-W830 HydrophobicContact CB-CH2 4.21Å; M770-W830 HydrophobicContact CB-CZ3 3.84Å; M770-W830 HydrophobicContact CE-CD2 4.39Å; M770-W830 HydrophobicContact CE-CE3 4.36Å; M770-W830 HydrophobicContact CE-CH2 3.58Å; M770-W830 HydrophobicContact CE-CZ2 3.58Å; M770-W830 HydrophobicContact CE-CZ3 3.98Å; M770-W830 HydrophobicContact CG-CZ3 4.34Å; M770-L833 HydrophobicContact CG-CB 3.66Å; M770-L833 HydrophobicContact CG-CD1 4.14Å; M770-L833 HydrophobicContact CG-CG 4.44Å; M770-L833 HydrophobicContact SD-CB 4.35Å; M770-Q834 HydrophobicContact CE-CB 4.19Å; M770-L837 HydrophobicContact SD-CB 4.46Å; M770-L837 HydrophobicContact SD-CD2 4.08Å
771N85.3Confident83.4Confident114 Ų11462.9 Ų62.961%0.6133%0.333SS*.Hα-helixtrans-60.9-41.1176.2-80.8-64.6000113E767 L768 Q774 S775E767-N771 PolarHBondContact O-N 3.03Å; E767-N771 PolarHBondContact O-ND2 3.06Å; L768-N771 PolarHBondContact O-N 2.69Å; N771-Q774 PolarHBondContact O-N 3.22Å; N771-S775 PolarHBondContact O-N 3.45Å; N771-S775 VanDerWaalsContact O-N 3.07Å
772N83.5Confident84.2Confident93 Ų9356.8 Ų56.850%0.49732%0.321SS..Hα-helixtrans-60.5-46.5173.2-178.1-60.6000111.1L768 L769 M770 Q774 S775 L776L768-N772 PolarHBondContact O-N 2.97Å; L769-N772 PolarHBondContact O-N 3.44Å; M770-N772 PolarHBondContact O-N 2.9Å; N772-Q774 VanDerWaalsContact C-N 3.3Å; N772-Q774 PolarHBondContact O-N 2.92Å; N772-S775 WeakPolarHBondContact O-CA 3.45Å; N772-S775 VanDerWaalsContact O-CB 3.26Å; N772-S775 WeakPolarHBondContact O-CB 3.39Å; N772-S775 PolarHBondContact O-N 3.45Å; N772-L776 PolarHBondContact O-N 3.41Å
773H86.7Confident84.8Confident0 Ų057.8 Ų57.80%032%0.319CS..Hα-helixtrans-64.8-33.9179.3-163.843000112.9M754 L769 M770 S775 L776 K777 W826 R829 L833M754-H773 WeakPolarHBondContact CG-NE2 3.42Å; M754-H773 PolarHBondContact SD-NE2 3.48Å; L769-H773 WeakPolarHBondContact O-CB 3.25Å; L769-H773 PolarHBondContact O-N 3.31Å; M770-H773 PolarHBondContact O-N 3.33Å; M770-H773 VanDerWaalsContact O-N 3.17Å; H773-S775 VanDerWaalsContact C-N 3.32Å; H773-L776 WeakPolarHBondContact CE1-CD1 3.45Å; H773-L776 WeakPolarHBondContact O-CB 3.34Å; H773-L776 PolarHBondContact O-N 2.97Å; H773-K777 PolarHBondContact O-N 3.42Å; H773-W826 AromaticContact CD2-CE2 3.94Å; H773-W826 AromaticContact CD2-NE1 3.76Å; H773-W826 AromaticContact CE1-CD1 3.82Å; H773-W826 AromaticContact CE1-NE1 3.77Å; H773-W826 AromaticContact CG-NE1 3.8Å; H773-W826 AromaticContact ND1-CD1 3.71Å; H773-W826 AromaticContact ND1-NE1 3.59Å; H773-W826 VanDerWaalsContact NE2-CA 3.27Å; H773-W826 WeakPolarHBondContact NE2-CA 3.38Å; H773-W826 AromaticContact NE2-CD1 3.02Å; H773-W826 AromaticContact NE2-CG 3.5Å; H773-W826 AromaticContact NE2-NE1 3.67Å; H773-W826 PolarHBondContact O-NE1 2.85Å; H773-R829 PolarHBondContact CE1-NH1 3.29Å; H773-R829 PolarHBondContact ND1-NH1 2.95Å; H773-L833 HydrophobicContact CB-CD1 4.08Å
774Q87.6Confident85.3Confident86 Ų8660.1 Ų60.140%0.40233%0.329SS..Hα-helixtrans-67-31.1171.9-161.86711.900112.4M770 N771 N772 L776 K777 A778 W830M770-Q774 PolarHBondContact O-N 3Å; N771-Q774 PolarHBondContact O-N 3.22Å; N772-Q774 VanDerWaalsContact C-N 3.3Å; N772-Q774 PolarHBondContact O-N 2.92Å; Q774-L776 VanDerWaalsContact C-N 3.34Å; Q774-K777 WeakPolarHBondContact O-CB 3.48Å; Q774-K777 PolarHBondContact O-N 2.83Å; Q774-A778 PolarHBondContact O-N 2.94Å; Q774-W830 HydrophobicContact CB-CZ3 4.37Å
775S86.7Confident85.7Confident80 Ų8063.2 Ų63.256%0.55934%0.339SS*.Hα-helixtrans-65.3-36.5171.4-1670000112.2N771 N772 H773 K777 A778 E779N771-S775 PolarHBondContact O-N 3.45Å; N771-S775 VanDerWaalsContact O-N 3.07Å; N772-S775 WeakPolarHBondContact O-CA 3.45Å; N772-S775 VanDerWaalsContact O-CB 3.26Å; N772-S775 WeakPolarHBondContact O-CB 3.39Å; N772-S775 PolarHBondContact O-N 3.45Å; H773-S775 VanDerWaalsContact C-N 3.32Å; S775-K777 VanDerWaalsContact C-N 3.29Å; S775-K777 PolarHBondContact O-N 3.13Å; S775-A778 PolarHBondContact O-N 3.03Å; S775-E779 PolarHBondContact O-N 3.35Å
776L85.6Confident86Confident12 Ų1265.4 Ų65.46%0.06335%0.346CS..Hα-helixtrans-66.4-32.8173.9-60.3174.4000111.5L750 M754 N772 H773 Q774 E779 I780L750-L776 HydrophobicContact CD1-CD2 3.84Å; M754-L776 HydrophobicContact CG-CD1 3.7Å; N772-L776 PolarHBondContact O-N 3.41Å; H773-L776 WeakPolarHBondContact CE1-CD1 3.45Å; H773-L776 WeakPolarHBondContact O-CB 3.34Å; H773-L776 PolarHBondContact O-N 2.97Å; Q774-L776 VanDerWaalsContact C-N 3.34Å; L776-E779 PolarHBondContact O-N 3.07Å; L776-I780 WeakPolarHBondContact O-CG1 3.37Å; L776-I780 PolarHBondContact O-N 3.28Å; L776-I780 VanDerWaalsContact O-N 3.12Å
777K88.6Confident86.4Confident45 Ų4565.4 Ų65.420%0.19635%0.347CS..Hα-helixtrans-62.2-45.7172.9-176.149.1178.91490111.9H773 Q774 S775 E779 I780 D781 W826H773-K777 PolarHBondContact O-N 3.42Å; Q774-K777 WeakPolarHBondContact O-CB 3.48Å; Q774-K777 PolarHBondContact O-N 2.83Å; S775-K777 VanDerWaalsContact C-N 3.29Å; S775-K777 PolarHBondContact O-N 3.13Å; K777-E779 VanDerWaalsContact C-N 3.28Å; K777-E779 PolarHBondContact O-N 3.06Å; K777-I780 WeakPolarHBondContact O-CB 3.31Å; K777-I780 PolarHBondContact O-N 2.71Å; K777-I780 VanDerWaalsContact O-N 3.12Å; K777-D781 WeakPolarHBondContact CE-OD1 3.3Å; K777-D781 VanDerWaalsContact CE-OD2 3.29Å; K777-D781 WeakPolarHBondContact CE-OD2 3.48Å; K777-D781 IonicContact NZ-OD1 3.78Å; K777-D781 PolarHBondContact NZ-OD1 3.09Å; K777-D781 IonicContact NZ-OD2 2.78Å; K777-D781 PolarHBondContact NZ-OD2 2.96Å; K777-D781 PolarHBondContact O-N 3.42Å; K777-W826 HydrophobicContact CB-CD2 4.39Å; K777-W826 HydrophobicContact CB-CH2 4.42Å; K777-W826 HydrophobicContact CB-CZ2 3.62Å; K777-W826 HydrophobicContact CD-CD2 4.23Å; K777-W826 HydrophobicContact CD-CE3 4.39Å; K777-W826 HydrophobicContact CD-CZ2 4.48Å; K777-W826 HydrophobicContact CG-CH2 4.29Å; K777-W826 HydrophobicContact CG-CZ2 3.97Å
778A86.7Confident86.7Confident53 Ų5362.8 Ų62.844%0.43834%0.344SS..Hα-helixtrans-59-39.9175.900000111.7Q774 S775 I780 D781 T782Q774-A778 PolarHBondContact O-N 2.94Å; S775-A778 PolarHBondContact O-N 3.03Å; A778-I780 PolarHBondContact O-N 3.26Å; A778-D781 PolarHBondContact O-N 3.41Å; A778-T782 WeakPolarHBondContact O-CG2 3.48Å; A778-T782 PolarHBondContact O-N 3.34Å
779E87.1Confident87Confident67 Ų6758.8 Ų58.831%0.31333%0.329SS..Hα-helixtrans-61.7-43.2174.7-163-175155.200112.1W746 L750 S775 L776 K777 D781 T782 R783W746-E779 HydrophobicContact CZ2-CG 4.24Å; W746-E779 PolarHBondContact NE1-OE1 3.42Å; L750-E779 WeakPolarHBondContact CD1-OE2 3.35Å; S775-E779 PolarHBondContact O-N 3.35Å; L776-E779 PolarHBondContact O-N 3.07Å; K777-E779 VanDerWaalsContact C-N 3.28Å; K777-E779 PolarHBondContact O-N 3.06Å; E779-D781 VanDerWaalsContact C-N 3.33Å; E779-D781 PolarHBondContact O-N 3.31Å; E779-T782 PolarHBondContact O-N 3.05Å; E779-T782 PolarHBondContact O-OG1 2.85Å; E779-R783 PolarHBondContact O-N 3.37Å
780I87.4Confident87.3Confident4 Ų457.3 Ų57.32%0.02132%0.322CS..Hα-helixtrans-56.3-49.3174-62.4171.6000110.8W746 L750 L776 K777 A778 T782 R783 E784 L822 L823 W826W746-I780 HydrophobicContact CH2-CG1 4.27Å; L750-I780 HydrophobicContact CD2-CD1 3.99Å; L750-I780 HydrophobicContact CD2-CG1 3.37Å; L776-I780 WeakPolarHBondContact O-CG1 3.37Å; L776-I780 PolarHBondContact O-N 3.28Å; L776-I780 VanDerWaalsContact O-N 3.12Å; K777-I780 WeakPolarHBondContact O-CB 3.31Å; K777-I780 PolarHBondContact O-N 2.71Å; K777-I780 VanDerWaalsContact O-N 3.12Å; A778-I780 PolarHBondContact O-N 3.26Å; I780-T782 PolarHBondContact O-N 3.27Å; I780-R783 PolarHBondContact O-N 2.84Å; I780-E784 PolarHBondContact O-N 3.04Å; I780-L822 HydrophobicContact CD1-CD2 4.04Å; I780-L822 HydrophobicContact CD1-CG 4.02Å; I780-L822 HydrophobicContact CG1-CD2 4Å; I780-L822 HydrophobicContact CG2-CD2 4.44Å; I780-L823 HydrophobicContact CG2-CD2 3.95Å; I780-W826 HydrophobicContact CD1-CB 4.45Å; I780-W826 HydrophobicContact CD1-CG 4.46Å
781D88.8Confident87.6Confident84 Ų8458.3 Ų58.345%0.44933%0.327SS..Hα-helixtrans-67.5-35.1-174.3-63.4-24.2000111.7K777 A778 E779 R783 E784K777-D781 WeakPolarHBondContact CE-OD1 3.3Å; K777-D781 VanDerWaalsContact CE-OD2 3.29Å; K777-D781 WeakPolarHBondContact CE-OD2 3.48Å; K777-D781 IonicContact NZ-OD1 3.78Å; K777-D781 PolarHBondContact NZ-OD1 3.09Å; K777-D781 IonicContact NZ-OD2 2.78Å; K777-D781 PolarHBondContact NZ-OD2 2.96Å; K777-D781 PolarHBondContact O-N 3.42Å; A778-D781 PolarHBondContact O-N 3.41Å; E779-D781 VanDerWaalsContact C-N 3.33Å; E779-D781 PolarHBondContact O-N 3.31Å; D781-R783 PolarHBondContact O-N 3.35Å; D781-E784 WeakPolarHBondContact O-CB 3.27Å; D781-E784 PolarHBondContact O-N 3.39Å
782T88.2Confident87.9Confident98 Ų9856.1 Ų56.160%0.60132%0.32SS*.Hα-helixtrans-66.1-17.417264.60000114.6A778 E779 I780A778-T782 WeakPolarHBondContact O-CG2 3.48Å; A778-T782 PolarHBondContact O-N 3.34Å; E779-T782 PolarHBondContact O-N 3.05Å; E779-T782 PolarHBondContact O-OG1 2.85Å; I780-T782 PolarHBondContact O-N 3.27Å
783R88.4Confident88.2Confident93 Ų9352.6 Ų52.635%0.35130%0.302SS..Hα-helixtrans-95.3-8.7179.2-71.1-62.6-166.2160.71.7113.9W746 E779 I780 D781 D785 N786 F787W746-R783 HydrophobicContact CD2-CG 4.32Å; W746-R783 HydrophobicContact CH2-CB 3.83Å; W746-R783 HydrophobicContact CH2-CG 3.94Å; W746-R783 HydrophobicContact CZ2-CB 3.99Å; W746-R783 HydrophobicContact CZ2-CG 3.56Å; W746-R783 HydrophobicContact CZ3-CB 4.21Å; W746-R783 HydrophobicContact CZ3-CG 4.44Å; E779-R783 PolarHBondContact O-N 3.37Å; I780-R783 PolarHBondContact O-N 2.84Å; D781-R783 PolarHBondContact O-N 3.35Å; R783-D785 VanDerWaalsContact C-N 3.32Å; R783-D785 PolarHBondContact O-N 3.44Å; R783-N786 WeakPolarHBondContact O-CB 3.29Å; R783-N786 PolarHBondContact O-N 3.48Å; R783-F787 HydrophobicContact CB-CE2 4.25Å; R783-F787 WeakPolarHBondContact O-CD2 3.31Å; R783-F787 PolarHBondContact O-N 3.24Å
784E87.4Confident88.3Confident68 Ų6852.6 Ų52.632%0.31830%0.302SS..Hα-helixtrans-56.9-41.1-175.1-173.157.7-160.700113I780 D781 N786 F787 G788 R819I780-E784 PolarHBondContact O-N 3.04Å; D781-E784 WeakPolarHBondContact O-CB 3.27Å; D781-E784 PolarHBondContact O-N 3.39Å; E784-N786 PolarHBondContact O-N 2.82Å; E784-F787 WeakPolarHBondContact O-CA 3.17Å; E784-F787 WeakPolarHBondContact O-CB 3.26Å; E784-F787 PolarHBondContact O-N 3.26Å; E784-G788 PolarHBondContact O-N 3.46Å; E784-R819 IonicContact OE1-CZ 3.84Å; E784-R819 IonicContact OE1-NE 2.71Å; E784-R819 PolarHBondContact OE1-NE 2.93Å; E784-R819 IonicContact OE1-NH2 2.87Å; E784-R819 PolarHBondContact OE1-NH2 3.2Å; E784-R819 IonicContact OE2-CZ 3.8Å; E784-R819 VanDerWaalsContact OE2-CZ 3.28Å; E784-R819 IonicContact OE2-NE 2.91Å; E784-R819 PolarHBondContact OE2-NE 3.1Å; E784-R819 IonicContact OE2-NH2 3.96Å; E784-R819 PolarHBondContact OE2-NH2 3.17Å
785D87.6Confident88.3Confident138 Ų13854.6 Ų54.674%0.73831%0.309SS*.Hα-helixtrans-59.2-31.9175.8-71.5-24.7000113.1R783 G788 A789R783-D785 VanDerWaalsContact C-N 3.32Å; R783-D785 PolarHBondContact O-N 3.44Å; D785-G788 PolarHBondContact O-N 3.46Å; D785-A789 WeakPolarHBondContact O-CB 3.2Å; D785-A789 PolarHBondContact O-N 3.09Å
786N88.5Confident88.4Confident66 Ų6654.8 Ų54.835%0.35330%0.301SS..Hα-helixtrans-73.1-35176.7-61.7-74.4000111.6L743 R783 E784 C790L743-N786 HydrophobicContact CD2-CB 3.99Å; R783-N786 WeakPolarHBondContact O-CB 3.29Å; R783-N786 PolarHBondContact O-N 3.48Å; E784-N786 PolarHBondContact O-N 2.82Å; N786-C790 VanDerWaalsContact O-CB 3.25Å; N786-C790 WeakPolarHBondContact O-CB 3.48Å; N786-C790 PolarHBondContact O-N 2.94Å
787F87.8Confident88.5Confident1 Ų154.2 Ų54.20%0.00430%0.298CS..Hα-helixtrans-66.1-44.9169.5-72-80.4000110.6L743 W746 M747 R783 E784 A789 C790 I791 L815 R819L743-F787 HydrophobicContact CB-CE1 4.01Å; L743-F787 HydrophobicContact CB-CZ 4.25Å; L743-F787 HydrophobicContact CD1-CD1 3.92Å; L743-F787 HydrophobicContact CD1-CE1 4.1Å; L743-F787 HydrophobicContact CD1-CG 4.35Å; L743-F787 HydrophobicContact CD2-CD2 4.37Å; L743-F787 HydrophobicContact CD2-CE1 4.22Å; L743-F787 HydrophobicContact CD2-CE2 4.06Å; L743-F787 HydrophobicContact CD2-CZ 3.97Å; L743-F787 HydrophobicContact CG-CE1 4.34Å; W746-F787 HydrophobicContact CE3-CE2 4.24Å; W746-F787 HydrophobicContact CE3-CZ 4.08Å; W746-F787 HydrophobicContact CH2-CE2 4.36Å; W746-F787 AromaticContact CZ3-CE2 3.58Å; W746-F787 HydrophobicContact CZ3-CE2 3.58Å; W746-F787 AromaticContact CZ3-CZ 3.67Å; W746-F787 HydrophobicContact CZ3-CZ 3.67Å; M747-F787 HydrophobicContact CE-CE1 3.93Å; M747-F787 HydrophobicContact CE-CZ 4.25Å; M747-F787 HydrophobicContact CG-CE1 4.42Å; M747-F787 HydrophobicContact CG-CZ 3.81Å; M747-F787 HydrophobicContact SD-CE1 3.67Å; M747-F787 HydrophobicContact SD-CZ 3.57Å; M747-F787 VanDerWaalsContact SD-CZ 3.57Å; R783-F787 HydrophobicContact CB-CE2 4.25Å; R783-F787 WeakPolarHBondContact O-CD2 3.31Å; R783-F787 PolarHBondContact O-N 3.24Å; E784-F787 WeakPolarHBondContact O-CA 3.17Å; E784-F787 WeakPolarHBondContact O-CB 3.26Å; E784-F787 PolarHBondContact O-N 3.26Å; F787-A789 PolarHBondContact O-N 2.96Å; F787-C790 PolarHBondContact O-N 3.07Å; F787-I791 HydrophobicContact CB-CD1 4.49Å; F787-I791 VanDerWaalsContact O-CB 3.3Å; F787-I791 WeakPolarHBondContact O-CB 3.38Å; F787-I791 WeakPolarHBondContact O-CG1 3.25Å; F787-I791 PolarHBondContact O-N 2.82Å; F787-L815 HydrophobicContact CD1-CD1 4.14Å; F787-L815 HydrophobicContact CD1-CD2 4.19Å; F787-L815 HydrophobicContact CD1-CG 4.07Å; F787-L815 HydrophobicContact CE1-CD1 3.81Å; F787-L815 HydrophobicContact CE1-CG 4.17Å; F787-R819 HydrophobicContact CD1-CB 4.45Å; F787-R819 HydrophobicContact CD1-CG 4.47Å; F787-R819 HydrophobicContact CE1-CB 4.18Å; F787-R819 HydrophobicContact CE1-CG 4.43Å
788G88.3Confident88.5Confident37 Ų3753.8 Ų53.838%0.38130%0.298SS..Hα-helixtrans-52.6-53.2173.900000112.1E784 D785 C790 I791 S792E784-G788 PolarHBondContact O-N 3.46Å; D785-G788 PolarHBondContact O-N 3.46Å; G788-C790 PolarHBondContact O-N 3.37Å; G788-I791 PolarHBondContact O-N 2.87Å; G788-S792 WeakPolarHBondContact O-CB 3.41Å; G788-S792 PolarHBondContact O-N 3.46Å; G788-S792 PolarHBondContact O-OG 3.35Å
789A89.5Confident88.6Confident43 Ų4356.6 Ų56.636%0.35531%0.31SS..Hα-helixtrans-65.2-36.4178.900000113.8M739 D785 F787 S792 L793M739-A789 HydrophobicContact CE-CB 4.11Å; D785-A789 WeakPolarHBondContact O-CB 3.2Å; D785-A789 PolarHBondContact O-N 3.09Å; F787-A789 PolarHBondContact O-N 2.96Å; A789-S792 WeakPolarHBondContact CA-OG 3.22Å; A789-S792 PolarHBondContact O-OG 2.92Å; A789-S792 VanDerWaalsContact O-OG 3.05Å; A789-L793 WeakPolarHBondContact O-CB 3.43Å; A789-L793 PolarHBondContact O-N 3.43Å; A789-L793 VanDerWaalsContact O-N 3.11Å
790C91.4Very high88.5Confident0 Ų058.7 Ų58.70%032%0.315CS..Hα-helixtrans-69.2-42.8176-170.70000111.4F736 M739 V740 L743 N786 F787 G788 G794 L815F736-C790 WeakPolarHBondContact CE2-O 3.47Å; M739-C790 HydrophobicContact CB-CB 4.31Å; M739-C790 HydrophobicContact CE-CB 3.98Å; V740-C790 VanDerWaalsContact CG2-SG 3.58Å; L743-C790 HydrophobicContact CD1-CB 3.75Å; N786-C790 VanDerWaalsContact O-CB 3.25Å; N786-C790 WeakPolarHBondContact O-CB 3.48Å; N786-C790 PolarHBondContact O-N 2.94Å; F787-C790 PolarHBondContact O-N 3.07Å; G788-C790 PolarHBondContact O-N 3.37Å; C790-G794 PolarHBondContact O-N 3.19Å; C790-L815 HydrophobicContact CB-CD2 4.16Å
791I89.5Confident88.3Confident43 Ų4365.2 Ų65.222%0.22135%0.35CS..Hα-helixtrans-70.1-38178.8-67.8167000111F787 G788 K795 L812 L815F787-I791 HydrophobicContact CB-CD1 4.49Å; F787-I791 VanDerWaalsContact O-CB 3.3Å; F787-I791 WeakPolarHBondContact O-CB 3.38Å; F787-I791 WeakPolarHBondContact O-CG1 3.25Å; F787-I791 PolarHBondContact O-N 2.82Å; G788-I791 PolarHBondContact O-N 2.87Å; I791-K795 HydrophobicContact CG2-CD 4.02Å; I791-K795 HydrophobicContact CG2-CG 4.42Å; I791-K795 WeakPolarHBondContact O-CB 3.45Å; I791-K795 VanDerWaalsContact O-CG 3.28Å; I791-K795 WeakPolarHBondContact O-CG 3.33Å; I791-K795 PolarHBondContact O-N 3.31Å; I791-L812 HydrophobicContact CB-CD2 4.37Å; I791-L812 HydrophobicContact CG1-CD2 4.19Å; I791-L815 HydrophobicContact CG1-CD2 4.22Å
792S91.2Very high88.2Confident67 Ų6761.5 Ų61.547%0.46933%0.33SS..Hα-helixtrans-65.2-47.1175.867.50000111.3G788 A789 G794 K795 E796G788-S792 WeakPolarHBondContact O-CB 3.41Å; G788-S792 PolarHBondContact O-N 3.46Å; G788-S792 PolarHBondContact O-OG 3.35Å; A789-S792 WeakPolarHBondContact CA-OG 3.22Å; A789-S792 PolarHBondContact O-OG 2.92Å; A789-S792 VanDerWaalsContact O-OG 3.05Å; S792-G794 PolarHBondContact O-N 2.88Å; S792-K795 PolarHBondContact O-N 3.34Å; S792-E796 WeakPolarHBondContact O-CB 3.4Å; S792-E796 PolarHBondContact O-N 2.8Å
793L89.9Confident88Confident20 Ų2063.1 Ų63.111%0.10533%0.326CS..Hα-helixtrans-60.4-45.1176.7-179.762.1000111.6R735 F736 M739 A789 E796 L797R735-L793 HydrophobicContact CG-CD2 4.19Å; F736-L793 HydrophobicContact CB-CD2 3.92Å; F736-L793 HydrophobicContact CB-CG 4.24Å; M739-L793 HydrophobicContact SD-CD2 4.03Å; A789-L793 WeakPolarHBondContact O-CB 3.43Å; A789-L793 PolarHBondContact O-N 3.43Å; A789-L793 VanDerWaalsContact O-N 3.11Å; L793-E796 PolarHBondContact O-N 3.15Å; L793-L797 HydrophobicContact CG-CD1 4.45Å; L793-L797 WeakPolarHBondContact O-CG 3.49Å; L793-L797 PolarHBondContact O-N 2.99Å
794G88Confident88Confident0 Ų059.1 Ų59.10%031%0.312CS..Hα-helixtrans-62.6-42.9175.900000112.7C790 S792 L798 I808C790-G794 PolarHBondContact O-N 3.19Å; S792-G794 PolarHBondContact O-N 2.88Å; G794-L798 WeakPolarHBondContact O-CG 3.39Å; G794-L798 PolarHBondContact O-N 3.05Å; G794-L798 VanDerWaalsContact O-N 3.17Å; G794-I808 WeakPolarHBondContact O-CG2 3.48Å
795K88.5Confident88Confident127 Ų12757.1 Ų57.155%0.55231%0.306SS*.Hα-helixtrans-63.9-40.5174.9-77175.4179.2177.70112I791 S792 L798 T799I791-K795 HydrophobicContact CG2-CD 4.02Å; I791-K795 HydrophobicContact CG2-CG 4.42Å; I791-K795 WeakPolarHBondContact O-CB 3.45Å; I791-K795 VanDerWaalsContact O-CG 3.28Å; I791-K795 WeakPolarHBondContact O-CG 3.33Å; I791-K795 PolarHBondContact O-N 3.31Å; S792-K795 PolarHBondContact O-N 3.34Å; K795-L798 WeakPolarHBondContact O-CB 3.49Å; K795-L798 PolarHBondContact O-N 2.86Å; K795-T799 PolarHBondContact O-N 2.9Å
796E88.2Confident88Confident85 Ų8554.2 Ų54.240%0.39730%0.301SS..Hα-helixtrans-61.7-47.6178.4-175.1172.7-169.900111.1S792 L793 L798 T799 R800S792-E796 WeakPolarHBondContact O-CB 3.4Å; S792-E796 PolarHBondContact O-N 2.8Å; L793-E796 PolarHBondContact O-N 3.15Å; E796-L798 VanDerWaalsContact C-N 3.25Å; E796-L798 PolarHBondContact O-N 3.28Å; E796-T799 WeakPolarHBondContact CA-OG1 3.39Å; E796-T799 PolarHBondContact O-N 3.17Å; E796-T799 PolarHBondContact O-OG1 2.93Å; E796-R800 VanDerWaalsContact CD-NH2 3.31Å; E796-R800 WeakPolarHBondContact O-CG 3.49Å; E796-R800 PolarHBondContact O-N 3.06Å; E796-R800 IonicContact OE1-CZ 3.65Å; E796-R800 IonicContact OE1-NE 2.69Å; E796-R800 IonicContact OE1-NH2 3.16Å; E796-R800 PolarHBondContact OE1-NH2 2.72Å; E796-R800 IonicContact OE2-NH2 2.76Å
797L88.5Confident87.9Confident0 Ų055.3 Ų55.30%031%0.307CS..Hα-helixtrans-56.3-39.3173.5-69.5169.3000112.1D732 F736 L793 R800 H802 I808D732-L797 HydrophobicContact CB-CD2 3.85Å; F736-L797 HydrophobicContact CB-CD1 3.98Å; F736-L797 HydrophobicContact CG-CD1 4.33Å; L793-L797 HydrophobicContact CG-CD1 4.45Å; L793-L797 WeakPolarHBondContact O-CG 3.49Å; L793-L797 PolarHBondContact O-N 2.99Å; L797-R800 PolarHBondContact O-N 3.11Å; L797-H802 HydrophobicContact CB-CB 4.13Å; L797-H802 WeakPolarHBondContact O-CB 3.37Å; L797-H802 PolarHBondContact O-N 3.18Å; L797-I808 HydrophobicContact CB-CD1 3.77Å; L797-I808 HydrophobicContact CD1-CD1 4.11Å
798L87.5Confident88Confident35 Ų3555.2 Ų55.218%0.18331%0.307CS..Hα-helixtrans-68-39.2174.5-65.1177.3000112.9G794 K795 E796 R800 N801 S805 I808 K809 L812G794-L798 WeakPolarHBondContact O-CG 3.39Å; G794-L798 PolarHBondContact O-N 3.05Å; G794-L798 VanDerWaalsContact O-N 3.17Å; K795-L798 WeakPolarHBondContact O-CB 3.49Å; K795-L798 PolarHBondContact O-N 2.86Å; E796-L798 VanDerWaalsContact C-N 3.25Å; E796-L798 PolarHBondContact O-N 3.28Å; L798-R800 VanDerWaalsContact C-N 3.27Å; L798-R800 PolarHBondContact O-N 3.48Å; L798-N801 PolarHBondContact O-N 2.98Å; L798-N801 VanDerWaalsContact O-N 3.11Å; L798-S805 WeakPolarHBondContact CD2-O 3.48Å; L798-I808 HydrophobicContact CD1-CG2 4.24Å; L798-I808 HydrophobicContact CD2-CB 3.99Å; L798-I808 HydrophobicContact CD2-CG2 3.94Å; L798-I808 HydrophobicContact CG-CB 4.45Å; L798-I808 HydrophobicContact CG-CG2 3.84Å; L798-K809 HydrophobicContact CD1-CG 3.57Å; L798-K809 HydrophobicContact CD2-CD 4.44Å; L798-K809 HydrophobicContact CD2-CG 3.85Å; L798-K809 HydrophobicContact CG-CG 4.38Å; L798-L812 HydrophobicContact CD1-CD1 3.88Å
799T88.7Confident88.1Confident113 Ų11359.7 Ų59.769%0.69332%0.315SS*.Hα-helixtrans-66.4-28.9175.4560000113.1K795 E796 N801K795-T799 PolarHBondContact O-N 2.9Å; E796-T799 WeakPolarHBondContact CA-OG1 3.39Å; E796-T799 PolarHBondContact O-N 3.17Å; E796-T799 PolarHBondContact O-OG1 2.93Å; T799-N801 PolarHBondContact O-N 3.06Å
800R84.9Confident88.1Confident110 Ų11061.7 Ų61.742%0.41532%0.32SS..THydrogen-bonded Turntrans-77.43.2172.9-64.3179.6-171.1173.44.5113.6D729 D732 E796 L797 L798 H802D729-R800 IonicContact OD1-NH1 3.21Å; D732-R800 IonicContact OD2-NH1 2.76Å; D732-R800 PolarHBondContact OD2-NH1 2.72Å; E796-R800 VanDerWaalsContact CD-NH2 3.31Å; E796-R800 WeakPolarHBondContact O-CG 3.49Å; E796-R800 PolarHBondContact O-N 3.06Å; E796-R800 IonicContact OE1-CZ 3.65Å; E796-R800 IonicContact OE1-NE 2.69Å; E796-R800 IonicContact OE1-NH2 3.16Å; E796-R800 PolarHBondContact OE1-NH2 2.72Å; E796-R800 IonicContact OE2-NH2 2.76Å; L797-R800 PolarHBondContact O-N 3.11Å; L798-R800 VanDerWaalsContact C-N 3.27Å; L798-R800 PolarHBondContact O-N 3.48Å; R800-H802 VanDerWaalsContact C-N 3.29Å; R800-H802 PolarHBondContact O-N 2.91Å
801N83.1Confident88Confident142 Ų14267.4 Ų67.476%0.75934%0.342SS*.THydrogen-bonded Turntrans53.541.6-172.9-69-49.4000113.4L798 T799 Y803L798-N801 PolarHBondContact O-N 2.98Å; L798-N801 VanDerWaalsContact O-N 3.11Å; T799-N801 PolarHBondContact O-N 3.06Å; N801-Y803 PolarHBondContact O-N 2.87Å
802H87Confident88Confident6 Ų666.4 Ų66.43%0.02834%0.337CS..  trans-52.9138-179.6-174.4-82000112.4D729 L797 R800 A804 S805 I808D729-H802 PolarHBondContact O-NE2 2.93Å; L797-H802 HydrophobicContact CB-CB 4.13Å; L797-H802 WeakPolarHBondContact O-CB 3.37Å; L797-H802 PolarHBondContact O-N 3.18Å; R800-H802 VanDerWaalsContact C-N 3.29Å; R800-H802 PolarHBondContact O-N 2.91Å; H802-A804 VanDerWaalsContact C-N 3.27Å; H802-A804 PolarHBondContact ND1-N 3.41Å; H802-A804 PolarHBondContact O-N 3.37Å; H802-A804 VanDerWaalsContact O-N 3.17Å; H802-S805 VanDerWaalsContact O-CB 3.23Å; H802-S805 WeakPolarHBondContact O-CB 3.43Å; H802-S805 PolarHBondContact O-N 2.98Å; H802-S805 PolarHBondContact O-OG 3.46Å; H802-I808 HydrophobicContact CB-CD1 3.99Å
803Y84.3Confident88Confident131 Ų13169.1 Ų69.151%0.51434%0.344SS..THydrogen-bonded Turntrans-58.4-35.6-172.764.7-90.8000113.7T730 N801 S805T730-Y803 WeakPolarHBondContact CG2-OH 3.48Å; T730-Y803 PolarHBondContact OG1-OH 2.83Å; N801-Y803 PolarHBondContact O-N 2.87Å; Y803-S805 PolarHBondContact O-N 3.27Å
804A87.8Confident87.9Confident9 Ų970.1 Ų70.17%0.07435%0.351CS..THydrogen-bonded Turntrans-84.729.4173.800000114.2L733 H802 A806 D807 I808L733-A804 HydrophobicContact CD1-CB 3.85Å; L733-A804 HydrophobicContact CD2-CB 3.89Å; H802-A804 VanDerWaalsContact C-N 3.27Å; H802-A804 PolarHBondContact ND1-N 3.41Å; H802-A804 PolarHBondContact O-N 3.37Å; H802-A804 VanDerWaalsContact O-N 3.17Å; A804-A806 PolarHBondContact O-N 3.02Å; A804-A806 VanDerWaalsContact O-N 3.15Å; A804-D807 PolarHBondContact O-N 3.49Å; A804-I808 WeakPolarHBondContact O-CG1 3.33Å; A804-I808 PolarHBondContact O-N 2.86Å; A804-I808 VanDerWaalsContact O-N 3.1Å
805S88.9Confident88Confident26 Ų2670.1 Ų70.118%0.18235%0.351CS..Hα-helixtrans-58.1-27.1-176.6-80.70000114.5L798 H802 Y803 K809L798-S805 WeakPolarHBondContact CD2-O 3.48Å; H802-S805 VanDerWaalsContact O-CB 3.23Å; H802-S805 WeakPolarHBondContact O-CB 3.43Å; H802-S805 PolarHBondContact O-N 2.98Å; H802-S805 PolarHBondContact O-OG 3.46Å; Y803-S805 PolarHBondContact O-N 3.27Å; S805-K809 VanDerWaalsContact O-CG 3.31Å; S805-K809 WeakPolarHBondContact O-CG 3.43Å; S805-K809 PolarHBondContact O-N 3.11Å
806A86.6Confident88Confident77 Ų7766.4 Ų66.464%0.63634%0.34SS*.Hα-helixtrans-65.9-52.4175.600000111.1A804 I808 K809 D810A804-A806 PolarHBondContact O-N 3.02Å; A804-A806 VanDerWaalsContact O-N 3.15Å; A806-I808 VanDerWaalsContact C-N 3.33Å; A806-I808 PolarHBondContact O-N 3.48Å; A806-K809 PolarHBondContact O-N 3.05Å; A806-D810 PolarHBondContact O-N 3.08Å; A806-D810 VanDerWaalsContact O-N 3.09Å
807D86.9Confident88.1Confident89 Ų8966.6 Ų66.648%0.47634%0.344SS..Hα-helixtrans-64.1-38179.7-53.9-53.1000111.8F737 A804 K809 D810 R811F737-D807 HydrophobicContact CE1-CB 4.29Å; F737-D807 HydrophobicContact CZ-CB 3.81Å; A804-D807 PolarHBondContact O-N 3.49Å; D807-K809 PolarHBondContact O-N 3.37Å; D807-D810 PolarHBondContact O-N 3.48Å; D807-R811 WeakPolarHBondContact O-CB 3.33Å; D807-R811 VanDerWaalsContact O-CG 3.26Å; D807-R811 WeakPolarHBondContact O-CG 3.47Å; D807-R811 PolarHBondContact O-N 3.31Å
808I90.1Very high88Confident0 Ų068.3 Ų68.30%036%0.356CS..Hα-helixtrans-62.6-43.4176.8-64.4159000111L733 F736 G794 L797 L798 H802 A804 A806 R811 L812L733-I808 HydrophobicContact CD1-CD1 3.75Å; L733-I808 HydrophobicContact CD1-CG1 3.6Å; F736-I808 HydrophobicContact CD1-CG1 4.27Å; F736-I808 HydrophobicContact CD1-CG2 4.4Å; F736-I808 HydrophobicContact CE1-CB 4.25Å; F736-I808 HydrophobicContact CE1-CG1 4.24Å; F736-I808 HydrophobicContact CE1-CG2 3.91Å; F736-I808 HydrophobicContact CZ-CG2 4.14Å; G794-I808 WeakPolarHBondContact O-CG2 3.48Å; L797-I808 HydrophobicContact CB-CD1 3.77Å; L797-I808 HydrophobicContact CD1-CD1 4.11Å; L798-I808 HydrophobicContact CD1-CG2 4.24Å; L798-I808 HydrophobicContact CD2-CB 3.99Å; L798-I808 HydrophobicContact CD2-CG2 3.94Å; L798-I808 HydrophobicContact CG-CB 4.45Å; L798-I808 HydrophobicContact CG-CG2 3.84Å; H802-I808 HydrophobicContact CB-CD1 3.99Å; A804-I808 WeakPolarHBondContact O-CG1 3.33Å; A804-I808 PolarHBondContact O-N 2.86Å; A804-I808 VanDerWaalsContact O-N 3.1Å; A806-I808 VanDerWaalsContact C-N 3.33Å; A806-I808 PolarHBondContact O-N 3.48Å; I808-R811 PolarHBondContact O-N 2.96Å; I808-L812 HydrophobicContact CG2-CD1 4.15Å; I808-L812 HydrophobicContact CG2-CG 4.44Å; I808-L812 WeakPolarHBondContact O-CB 3.45Å; I808-L812 WeakPolarHBondContact O-CG 3.44Å; I808-L812 PolarHBondContact O-N 3.34Å
809K89.1Confident88.1Confident130 Ų13069.2 Ų69.257%0.56536%0.357SS*.Hα-helixtrans-62-46.6176.5-76.6172.6-175.9178.60111.9L798 S805 A806 D807 L812 M813L798-K809 HydrophobicContact CD1-CG 3.57Å; L798-K809 HydrophobicContact CD2-CD 4.44Å; L798-K809 HydrophobicContact CD2-CG 3.85Å; L798-K809 HydrophobicContact CG-CG 4.38Å; S805-K809 VanDerWaalsContact O-CG 3.31Å; S805-K809 WeakPolarHBondContact O-CG 3.43Å; S805-K809 PolarHBondContact O-N 3.11Å; A806-K809 PolarHBondContact O-N 3.05Å; D807-K809 PolarHBondContact O-N 3.37Å; K809-L812 PolarHBondContact O-N 3.01Å; K809-M813 WeakPolarHBondContact O-CB 3.42Å; K809-M813 PolarHBondContact O-N 3.01Å
810D89.9Confident88.1Confident85 Ų8566.8 Ų66.846%0.45534%0.34SS..Hα-helixtrans-59.6-46.7178176.971.6000112A806 D807 M813 T814A806-D810 PolarHBondContact O-N 3.08Å; A806-D810 VanDerWaalsContact O-N 3.09Å; D807-D810 PolarHBondContact O-N 3.48Å; D810-M813 PolarHBondContact O-N 3.32Å; D810-T814 WeakPolarHBondContact O-CB 3.39Å; D810-T814 PolarHBondContact O-N 2.89Å; D810-T814 PolarHBondContact O-OG1 2.86Å
811R89.9Confident88.3Confident120 Ų12064 Ų6445%0.45334%0.34SS..Hα-helixtrans-66.5-38.5178.4-66.6-56.2-179-167.5-4.5113F736 F737 V740 D807 I808 L815F736-R811 HydrophobicContact CE1-CB 3.88Å; F736-R811 HydrophobicContact CZ-CB 4.03Å; F737-R811 HydrophobicContact CD1-CG 4.15Å; F737-R811 HydrophobicContact CE1-CG 3.93Å; V740-R811 HydrophobicContact CG1-CB 4.3Å; V740-R811 HydrophobicContact CG2-CB 4.33Å; D807-R811 WeakPolarHBondContact O-CB 3.33Å; D807-R811 VanDerWaalsContact O-CG 3.26Å; D807-R811 WeakPolarHBondContact O-CG 3.47Å; D807-R811 PolarHBondContact O-N 3.31Å; I808-R811 PolarHBondContact O-N 2.96Å; R811-L815 VanDerWaalsContact O-CB 3.31Å; R811-L815 WeakPolarHBondContact O-CB 3.39Å; R811-L815 PolarHBondContact O-N 3.25Å
812L90Very high88.5Confident22 Ų2257.3 Ų57.312%0.11531%0.305CS..Hα-helixtrans-63.2-43.4172.4-78.4176.3000112.1F736 I791 L798 I808 K809 L815 S816F736-L812 HydrophobicContact CE2-CD2 3.75Å; F736-L812 HydrophobicContact CE2-CG 4.14Å; F736-L812 HydrophobicContact CZ-CD2 3.93Å; F736-L812 HydrophobicContact CZ-CG 3.83Å; I791-L812 HydrophobicContact CB-CD2 4.37Å; I791-L812 HydrophobicContact CG1-CD2 4.19Å; L798-L812 HydrophobicContact CD1-CD1 3.88Å; I808-L812 HydrophobicContact CG2-CD1 4.15Å; I808-L812 HydrophobicContact CG2-CG 4.44Å; I808-L812 WeakPolarHBondContact O-CB 3.45Å; I808-L812 WeakPolarHBondContact O-CG 3.44Å; I808-L812 PolarHBondContact O-N 3.34Å; K809-L812 PolarHBondContact O-N 3.01Å; L812-L815 PolarHBondContact O-N 2.92Å; L812-S816 WeakPolarHBondContact O-CB 3.34Å; L812-S816 PolarHBondContact O-N 3.02Å
813M89.2Confident88.5Confident125 Ų12558.6 Ų58.662%0.61631%0.312SS*.Hα-helixtrans-65.3-44.8178.6-168.8173.2-170.500110.9K809 D810 S816 N817K809-M813 WeakPolarHBondContact O-CB 3.42Å; K809-M813 PolarHBondContact O-N 3.01Å; D810-M813 PolarHBondContact O-N 3.32Å; M813-S816 PolarHBondContact O-N 3.35Å; M813-N817 WeakPolarHBondContact O-CB 3.39Å; M813-N817 PolarHBondContact O-N 2.9Å; M813-N817 PolarHBondContact O-ND2 3.47Å
814T89.1Confident88.6Confident41 Ų4160.2 Ų60.225%0.25232%0.317SS..Hα-helixtrans-58.1-49.7174.7-58.50000111.4M744 D810 S816 N817 S818M744-T814 HydrophobicContact CE-CG2 3.93Å; M744-T814 HydrophobicContact SD-CG2 4.18Å; D810-T814 WeakPolarHBondContact O-CB 3.39Å; D810-T814 PolarHBondContact O-N 2.89Å; D810-T814 PolarHBondContact O-OG1 2.86Å; T814-S816 PolarHBondContact O-N 3.18Å; T814-N817 PolarHBondContact O-N 3.25Å; T814-S818 PolarHBondContact O-N 3.09Å; T814-S818 PolarHBondContact O-OG 2.84Å
815L90.4Very high88.5Confident0 Ų065.8 Ų65.80%034%0.336CS..Hα-helixtrans-60.2-44.8179.2-17473.8000112V740 L743 M744 M747 F787 C790 I791 R811 L812 R819V740-L815 HydrophobicContact CG1-CD1 4.44Å; V740-L815 HydrophobicContact CG2-CD2 4.47Å; L743-L815 HydrophobicContact CB-CD1 3.7Å; L743-L815 HydrophobicContact CD1-CD1 4.11Å; L743-L815 HydrophobicContact CD1-CD2 4.21Å; M744-L815 HydrophobicContact CG-CD1 4.43Å; M744-L815 HydrophobicContact SD-CD1 4.5Å; M747-L815 HydrophobicContact CE-CD1 3.83Å; F787-L815 HydrophobicContact CD1-CD1 4.14Å; F787-L815 HydrophobicContact CD1-CD2 4.19Å; F787-L815 HydrophobicContact CD1-CG 4.07Å; F787-L815 HydrophobicContact CE1-CD1 3.81Å; F787-L815 HydrophobicContact CE1-CG 4.17Å; C790-L815 HydrophobicContact CB-CD2 4.16Å; I791-L815 HydrophobicContact CG1-CD2 4.22Å; R811-L815 VanDerWaalsContact O-CB 3.31Å; R811-L815 WeakPolarHBondContact O-CB 3.39Å; R811-L815 PolarHBondContact O-N 3.25Å; L812-L815 PolarHBondContact O-N 2.92Å; L815-R819 WeakPolarHBondContact O-CB 3.35Å; L815-R819 PolarHBondContact O-N 3.15Å
816S88.8Confident88.5Confident48 Ų4865.8 Ų65.834%0.33633%0.332SS..Hα-helixtrans-62.9-45.5177.5-173.30000111.9L812 M813 T814 R819 N820L812-S816 WeakPolarHBondContact O-CB 3.34Å; L812-S816 PolarHBondContact O-N 3.02Å; M813-S816 PolarHBondContact O-N 3.35Å; T814-S816 PolarHBondContact O-N 3.18Å; S816-R819 PolarHBondContact O-N 2.61Å; S816-N820 PolarHBondContact O-N 2.99Å; S816-N820 PolarHBondContact O-ND2 3.31Å
817N89.4Confident88.5Confident89 Ų8967.2 Ų67.248%0.47633%0.325SS..Hα-helixtrans-62.3-46.2178.5-71.3-14.8000111.7M813 T814 N820 A821M813-N817 WeakPolarHBondContact O-CB 3.39Å; M813-N817 PolarHBondContact O-N 2.9Å; M813-N817 PolarHBondContact O-ND2 3.47Å; T814-N817 PolarHBondContact O-N 3.25Å; N817-N820 PolarHBondContact O-N 3.43Å; N817-A821 WeakPolarHBondContact O-CB 3.46Å; N817-A821 PolarHBondContact O-N 3.23Å
818S87.4Confident88.4Confident37 Ų3768 Ų6826%0.25933%0.326SS..Hα-helixtrans-64.7-39.8176.5-68.30000112.8M747 T814 N820 A821 L822M747-S818 VanDerWaalsContact CE-CB 3.49Å; T814-S818 PolarHBondContact O-N 3.09Å; T814-S818 PolarHBondContact O-OG 2.84Å; S818-N820 PolarHBondContact O-N 3.4Å; S818-A821 PolarHBondContact O-N 2.94Å; S818-L822 WeakPolarHBondContact O-CB 3.45Å; S818-L822 PolarHBondContact O-N 3.21Å
819R89.3Confident88.1Confident54 Ų5469.9 Ų69.920%0.20433%0.334CS..Hα-helixtrans-61.2-43.9174.6178.9179.4166.3-77.10.5111.6M747 E784 F787 L815 S816 L822 L823M747-R819 VanDerWaalsContact SD-CA 3.58Å; M747-R819 HydrophobicContact SD-CB 4.04Å; M747-R819 PolarHBondContact SD-N 3.36Å; E784-R819 IonicContact OE1-CZ 3.84Å; E784-R819 IonicContact OE1-NE 2.71Å; E784-R819 PolarHBondContact OE1-NE 2.93Å; E784-R819 IonicContact OE1-NH2 2.87Å; E784-R819 PolarHBondContact OE1-NH2 3.2Å; E784-R819 IonicContact OE2-CZ 3.8Å; E784-R819 VanDerWaalsContact OE2-CZ 3.28Å; E784-R819 IonicContact OE2-NE 2.91Å; E784-R819 PolarHBondContact OE2-NE 3.1Å; E784-R819 IonicContact OE2-NH2 3.96Å; E784-R819 PolarHBondContact OE2-NH2 3.17Å; F787-R819 HydrophobicContact CD1-CB 4.45Å; F787-R819 HydrophobicContact CD1-CG 4.47Å; F787-R819 HydrophobicContact CE1-CB 4.18Å; F787-R819 HydrophobicContact CE1-CG 4.43Å; L815-R819 WeakPolarHBondContact O-CB 3.35Å; L815-R819 PolarHBondContact O-N 3.15Å; S816-R819 PolarHBondContact O-N 2.61Å; R819-L822 WeakPolarHBondContact O-CB 3.42Å; R819-L822 PolarHBondContact O-N 3.19Å; R819-L823 WeakPolarHBondContact O-CG 3.47Å; R819-L823 PolarHBondContact O-N 3.26Å; R819-L823 VanDerWaalsContact O-N 3.14Å
820N88.9Confident88Confident61 Ų6167.1 Ų67.133%0.32632%0.319SS..Hα-helixtrans-69.1-34.6178-65.1-25.4000112S816 N817 S818 R824S816-N820 PolarHBondContact O-N 2.99Å; S816-N820 PolarHBondContact O-ND2 3.31Å; N817-N820 PolarHBondContact O-N 3.43Å; S818-N820 PolarHBondContact O-N 3.4Å; N820-R824 WeakPolarHBondContact O-CG 3.36Å; N820-R824 PolarHBondContact O-N 3.34Å; N820-R824 VanDerWaalsContact O-N 3.1Å
821A87.6Confident87.7Confident51 Ų5168 Ų6842%0.42132%0.321SS..Hα-helixtrans-67.2-3917400000112.5N817 S818 R825N817-A821 WeakPolarHBondContact O-CB 3.46Å; N817-A821 PolarHBondContact O-N 3.23Å; S818-A821 PolarHBondContact O-N 2.94Å; A821-R825 WeakPolarHBondContact O-CB 3.45Å; A821-R825 WeakPolarHBondContact O-CG 3.43Å; A821-R825 PolarHBondContact O-N 3.37Å
822L87.6Confident87.3Confident2 Ų266.8 Ų66.81%0.0132%0.323CS..Hα-helixtrans-58.8-49.8173.3177.774.5000111.4W746 M747 L750 V751 M754 I780 S818 R819 R825 W826W746-L822 HydrophobicContact CH2-CD2 4.11Å; W746-L822 HydrophobicContact CZ3-CD2 4.03Å; M747-L822 HydrophobicContact CG-CD2 4.04Å; L750-L822 HydrophobicContact CB-CD1 4.17Å; L750-L822 HydrophobicContact CD2-CD1 4.18Å; L750-L822 HydrophobicContact CD2-CD2 4.35Å; L750-L822 HydrophobicContact CG-CD1 4.49Å; V751-L822 HydrophobicContact CG2-CD1 3.53Å; M754-L822 HydrophobicContact CE-CD1 3.45Å; M754-L822 VanDerWaalsContact CE-CD1 3.45Å; M754-L822 HydrophobicContact CE-CG 4.38Å; I780-L822 HydrophobicContact CD1-CD2 4.04Å; I780-L822 HydrophobicContact CD1-CG 4.02Å; I780-L822 HydrophobicContact CG1-CD2 4Å; I780-L822 HydrophobicContact CG2-CD2 4.44Å; S818-L822 WeakPolarHBondContact O-CB 3.45Å; S818-L822 PolarHBondContact O-N 3.21Å; R819-L822 WeakPolarHBondContact O-CB 3.42Å; R819-L822 PolarHBondContact O-N 3.19Å; L822-R825 PolarHBondContact O-N 3.28Å; L822-W826 PolarHBondContact O-N 2.85Å
823L87.2Confident86.9Confident34 Ų3466.2 Ų66.218%0.17832%0.321CS..Hα-helixtrans-61.5-47.5179.8-72.5169.4000111.9I780 R819 R825 W826 E827I780-L823 HydrophobicContact CG2-CD2 3.95Å; R819-L823 WeakPolarHBondContact O-CG 3.47Å; R819-L823 PolarHBondContact O-N 3.26Å; R819-L823 VanDerWaalsContact O-N 3.14Å; L823-R825 VanDerWaalsContact C-N 3.32Å; L823-R825 PolarHBondContact O-N 3.4Å; L823-W826 WeakPolarHBondContact O-CB 3.36Å; L823-W826 PolarHBondContact O-N 2.75Å; L823-W826 VanDerWaalsContact O-N 3.13Å; L823-E827 WeakPolarHBondContact O-CG 3.48Å; L823-E827 PolarHBondContact O-N 3.04Å
824R86.5Confident86.5Confident165 Ų16564.1 Ų64.162%0.62331%0.309SS*.Hα-helixtrans-59.7-40.3175.9-72.6176.2-176.91790.5112.7N820 W826 E827 E828N820-R824 WeakPolarHBondContact O-CG 3.36Å; N820-R824 PolarHBondContact O-N 3.34Å; N820-R824 VanDerWaalsContact O-N 3.1Å; R824-W826 VanDerWaalsContact C-N 3.28Å; R824-W826 PolarHBondContact O-N 2.86Å; R824-E827 PolarHBondContact O-N 3.13Å; R824-E828 WeakPolarHBondContact O-CB 3.11Å; R824-E828 VanDerWaalsContact O-CG 3.3Å; R824-E828 WeakPolarHBondContact O-CG 3.3Å; R824-E828 PolarHBondContact O-N 3.02Å
825R86.4Confident86Confident126 Ų12664.4 Ų64.448%0.47531%0.309SS..Hα-helixtrans-67.2-30.4177.5-79.9-74151.5895.1113.2M754 A821 L822 L823 E828 R829M754-R825 HydrophobicContact CE-CB 4.25Å; A821-R825 WeakPolarHBondContact O-CB 3.45Å; A821-R825 WeakPolarHBondContact O-CG 3.43Å; A821-R825 PolarHBondContact O-N 3.37Å; L822-R825 PolarHBondContact O-N 3.28Å; L823-R825 VanDerWaalsContact C-N 3.32Å; L823-R825 PolarHBondContact O-N 3.4Å; R825-E828 VanDerWaalsContact CD-OE2 3.26Å; R825-E828 WeakPolarHBondContact CD-OE2 3.48Å; R825-E828 IonicContact CZ-OE2 2.77Å; R825-E828 IonicContact NE-OE2 3.41Å; R825-E828 PolarHBondContact NE-OE2 2.99Å; R825-R829 PolarHBondContact O-N 3.31Å
826W89.1Confident85.6Confident26 Ų2666.6 Ų66.610%0.09832%0.32CS..Hα-helixtrans-67.7-49170-172.992000110.8M754 H773 K777 I780 L822 L823 R824 E828 R829 W830M754-W826 HydrophobicContact SD-CB 3.77Å; M754-W826 HydrophobicContact SD-CG 4.16Å; H773-W826 AromaticContact CD2-CE2 3.94Å; H773-W826 AromaticContact CD2-NE1 3.76Å; H773-W826 AromaticContact CE1-CD1 3.82Å; H773-W826 AromaticContact CE1-NE1 3.77Å; H773-W826 AromaticContact CG-NE1 3.8Å; H773-W826 AromaticContact ND1-CD1 3.71Å; H773-W826 AromaticContact ND1-NE1 3.59Å; H773-W826 VanDerWaalsContact NE2-CA 3.27Å; H773-W826 WeakPolarHBondContact NE2-CA 3.38Å; H773-W826 AromaticContact NE2-CD1 3.02Å; H773-W826 AromaticContact NE2-CG 3.5Å; H773-W826 AromaticContact NE2-NE1 3.67Å; H773-W826 PolarHBondContact O-NE1 2.85Å; K777-W826 HydrophobicContact CB-CD2 4.39Å; K777-W826 HydrophobicContact CB-CH2 4.42Å; K777-W826 HydrophobicContact CB-CZ2 3.62Å; K777-W826 HydrophobicContact CD-CD2 4.23Å; K777-W826 HydrophobicContact CD-CE3 4.39Å; K777-W826 HydrophobicContact CD-CZ2 4.48Å; K777-W826 HydrophobicContact CG-CH2 4.29Å; K777-W826 HydrophobicContact CG-CZ2 3.97Å; I780-W826 HydrophobicContact CD1-CB 4.45Å; I780-W826 HydrophobicContact CD1-CG 4.46Å; L822-W826 PolarHBondContact O-N 2.85Å; L823-W826 WeakPolarHBondContact O-CB 3.36Å; L823-W826 PolarHBondContact O-N 2.75Å; L823-W826 VanDerWaalsContact O-N 3.13Å; R824-W826 VanDerWaalsContact C-N 3.28Å; R824-W826 PolarHBondContact O-N 2.86Å; W826-E828 PolarHBondContact O-N 3.43Å; W826-R829 PolarHBondContact O-N 2.98Å; W826-W830 HydrophobicContact CH2-CB 4.12Å; W826-W830 HydrophobicContact CH2-CD2 4.04Å; W826-W830 HydrophobicContact CH2-CE3 4.22Å; W826-W830 AromaticContact CH2-CG 3.98Å; W826-W830 HydrophobicContact CH2-CG 3.98Å; W826-W830 HydrophobicContact CZ2-CB 4.44Å; W826-W830 HydrophobicContact CZ2-CD2 4.35Å; W826-W830 HydrophobicContact CZ2-CE3 4.09Å; W826-W830 HydrophobicContact CZ3-CB 4.17Å; W826-W830 HydrophobicContact CZ3-CG 4.32Å; W826-W830 PolarHBondContact O-N 3.2Å
827E85.8Confident85.2Confident106 Ų10665.4 Ų65.450%0.49531%0.31SS..Hα-helixtrans-59.4-47.9177.8-68.3166.8172.400112.5L823 R824 R829 W830 E831L823-E827 WeakPolarHBondContact O-CG 3.48Å; L823-E827 PolarHBondContact O-N 3.04Å; R824-E827 PolarHBondContact O-N 3.13Å; E827-R829 VanDerWaalsContact C-N 3.29Å; E827-R829 PolarHBondContact O-N 3.32Å; E827-W830 PolarHBondContact O-N 2.9Å; E827-E831 PolarHBondContact O-N 3.09Å
828E84.9Confident84.7Confident106 Ų10663.2 Ų63.250%0.49530%0.297SS..Hα-helixtrans-54.5-42177.2-76.9170.3-171.300112.4R824 R825 W826 N832R824-E828 WeakPolarHBondContact O-CB 3.11Å; R824-E828 VanDerWaalsContact O-CG 3.3Å; R824-E828 WeakPolarHBondContact O-CG 3.3Å; R824-E828 PolarHBondContact O-N 3.02Å; R825-E828 VanDerWaalsContact CD-OE2 3.26Å; R825-E828 WeakPolarHBondContact CD-OE2 3.48Å; R825-E828 IonicContact CZ-OE2 2.77Å; R825-E828 IonicContact NE-OE2 3.41Å; R825-E828 PolarHBondContact NE-OE2 2.99Å; W826-E828 PolarHBondContact O-N 3.43Å; E828-N832 WeakPolarHBondContact O-CB 3.39Å; E828-N832 PolarHBondContact O-N 2.95Å
829R84.1Confident84.3Confident40 Ų4065.1 Ų65.115%0.15131%0.306CS..Hα-helixtrans-77.4-36.2179.7178.4174.1-173.9-142.322.4112.3M754 T756 H773 R825 W826 E827 N832 L833M754-R829 WeakPolarHBondContact O-CD 3.46Å; M754-R829 PolarHBondContact O-NE 3.37Å; M754-R829 VanDerWaalsContact O-NE 3.08Å; M754-R829 PolarHBondContact O-NH1 2.99Å; M754-R829 PolarHBondContact O-NH2 2.88Å; T756-R829 PolarHBondContact O-NH2 2.79Å; H773-R829 PolarHBondContact CE1-NH1 3.29Å; H773-R829 PolarHBondContact ND1-NH1 2.95Å; R825-R829 PolarHBondContact O-N 3.31Å; W826-R829 PolarHBondContact O-N 2.98Å; E827-R829 VanDerWaalsContact C-N 3.29Å; E827-R829 PolarHBondContact O-N 3.32Å; R829-N832 PolarHBondContact O-N 2.58Å; R829-L833 HydrophobicContact CG-CD1 4.28Å; R829-L833 WeakPolarHBondContact O-CG 3.49Å; R829-L833 PolarHBondContact O-N 3.46Å
830W86.6Confident83.8Confident71 Ų7166.5 Ų66.527%0.26931%0.312SS..Hα-helixtrans-61.5-47.9174.2180-97.4000111.6M770 Q774 W826 E827 N832 L833 Q834M770-W830 HydrophobicContact CB-CH2 4.21Å; M770-W830 HydrophobicContact CB-CZ3 3.84Å; M770-W830 HydrophobicContact CE-CD2 4.39Å; M770-W830 HydrophobicContact CE-CE3 4.36Å; M770-W830 HydrophobicContact CE-CH2 3.58Å; M770-W830 HydrophobicContact CE-CZ2 3.58Å; M770-W830 HydrophobicContact CE-CZ3 3.98Å; M770-W830 HydrophobicContact CG-CZ3 4.34Å; Q774-W830 HydrophobicContact CB-CZ3 4.37Å; W826-W830 HydrophobicContact CH2-CB 4.12Å; W826-W830 HydrophobicContact CH2-CD2 4.04Å; W826-W830 HydrophobicContact CH2-CE3 4.22Å; W826-W830 AromaticContact CH2-CG 3.98Å; W826-W830 HydrophobicContact CH2-CG 3.98Å; W826-W830 HydrophobicContact CZ2-CB 4.44Å; W826-W830 HydrophobicContact CZ2-CD2 4.35Å; W826-W830 HydrophobicContact CZ2-CE3 4.09Å; W826-W830 HydrophobicContact CZ3-CB 4.17Å; W826-W830 HydrophobicContact CZ3-CG 4.32Å; W826-W830 PolarHBondContact O-N 3.2Å; E827-W830 PolarHBondContact O-N 2.9Å; W830-N832 VanDerWaalsContact C-N 3.3Å; W830-N832 PolarHBondContact O-N 2.98Å; W830-L833 PolarHBondContact O-N 3.25Å; W830-Q834 PolarHBondContact O-N 3.29Å
831E83.1Confident83.4Confident103 Ų10366.7 Ų66.748%0.48131%0.311SS..Hα-helixtrans-59.4-40.3174.8-76-160.8-146.100112.3E827 Q834 L835 K905E827-E831 PolarHBondContact O-N 3.09Å; E831-Q834 PolarHBondContact O-N 2.93Å; E831-L835 WeakPolarHBondContact O-CB 3.28Å; E831-L835 PolarHBondContact O-N 3.14Å; E831-K905 IonicContact OE2-NZ 2.64Å; E831-K905 PolarHBondContact OE2-NZ 2.84Å
832N81.3Confident82.9Confident95 Ų9568.5 Ų68.551%0.50831%0.31SS..Hα-helixtrans-63.5-43.9177.6-173.2-101.9000112.3E828 R829 W830 L835 I836E828-N832 WeakPolarHBondContact O-CB 3.39Å; E828-N832 PolarHBondContact O-N 2.95Å; R829-N832 PolarHBondContact O-N 2.58Å; W830-N832 VanDerWaalsContact C-N 3.3Å; W830-N832 PolarHBondContact O-N 2.98Å; N832-L835 PolarHBondContact O-N 2.96Å; N832-I836 VanDerWaalsContact O-CG1 3.27Å; N832-I836 WeakPolarHBondContact O-CG1 3.36Å; N832-I836 PolarHBondContact O-N 3.48Å; N832-I836 WeakPolarHBondContact OD1-CD1 3.47Å
833L81.4Confident82.3Confident11 Ų1171 Ų716%0.05833%0.331CS..Hα-helixtrans-65.2-40.8177.1-71.7171.1000112.1V766 L769 M770 H773 R829 W830 I836 L837V766-L833 WeakPolarHBondContact CG1-O 3.36Å; L769-L833 HydrophobicContact CB-CD1 4.42Å; L769-L833 HydrophobicContact CB-CD2 3.93Å; L769-L833 HydrophobicContact CD1-CD2 4.34Å; M770-L833 HydrophobicContact CG-CB 3.66Å; M770-L833 HydrophobicContact CG-CD1 4.14Å; M770-L833 HydrophobicContact CG-CG 4.44Å; M770-L833 HydrophobicContact SD-CB 4.35Å; H773-L833 HydrophobicContact CB-CD1 4.08Å; R829-L833 HydrophobicContact CG-CD1 4.28Å; R829-L833 WeakPolarHBondContact O-CG 3.49Å; R829-L833 PolarHBondContact O-N 3.46Å; W830-L833 PolarHBondContact O-N 3.25Å; L833-I836 PolarHBondContact O-N 3.47Å; L833-L837 PolarHBondContact O-N 3.49Å
834Q80.8Confident81.9Confident81 Ų8175.3 Ų75.338%0.37935%0.345SS..Hα-helixtrans-61.8-44.7175.6-173.9-174.4-33.800111.5M770 W830 E831 I836 L837 E838M770-Q834 HydrophobicContact CE-CB 4.19Å; W830-Q834 PolarHBondContact O-N 3.29Å; E831-Q834 PolarHBondContact O-N 2.93Å; Q834-I836 VanDerWaalsContact C-N 3.32Å; Q834-I836 PolarHBondContact O-N 3.38Å; Q834-L837 WeakPolarHBondContact O-CB 3.44Å; Q834-L837 PolarHBondContact O-N 3.41Å; Q834-L837 VanDerWaalsContact O-N 3.14Å; Q834-E838 PolarHBondContact NE2-OE1 3.26Å; Q834-E838 WeakPolarHBondContact O-CG 3.21Å; Q834-E838 PolarHBondContact O-N 3.42Å; Q834-E838 VanDerWaalsContact O-N 3.13Å
835L80Confident81.5Confident46 Ų4670.8 Ų70.824%0.24133%0.333CS..Hα-helixtrans-66.2-35.8179.6-159.5153000111.5E831 N832 V839 F902E831-L835 WeakPolarHBondContact O-CB 3.28Å; E831-L835 PolarHBondContact O-N 3.14Å; N832-L835 PolarHBondContact O-N 2.96Å; L835-V839 HydrophobicContact CD2-CG2 4.42Å; L835-V839 WeakPolarHBondContact O-CG2 3.39Å; L835-V839 PolarHBondContact O-N 3.42Å; L835-F902 HydrophobicContact CD1-CD2 4.32Å; L835-F902 HydrophobicContact CD2-CB 4.31Å; L835-F902 HydrophobicContact CD2-CD2 3.97Å
836I80.5Confident81.1Confident46 Ų4666.1 Ų66.124%0.23632%0.322CS..Hα-helixtrans-63.9-42.3171.4-69.5167.9000111.1P760 V766 N832 L833 Q834 E838 V839 Y840P760-I836 HydrophobicContact CG-CG2 3.83Å; V766-I836 HydrophobicContact CG1-CG2 4.29Å; V766-I836 HydrophobicContact CG2-CG2 3.8Å; N832-I836 VanDerWaalsContact O-CG1 3.27Å; N832-I836 WeakPolarHBondContact O-CG1 3.36Å; N832-I836 PolarHBondContact O-N 3.48Å; N832-I836 WeakPolarHBondContact OD1-CD1 3.47Å; L833-I836 PolarHBondContact O-N 3.47Å; Q834-I836 VanDerWaalsContact C-N 3.32Å; Q834-I836 PolarHBondContact O-N 3.38Å; I836-E838 VanDerWaalsContact C-N 3.33Å; I836-E838 PolarHBondContact O-N 2.66Å; I836-V839 PolarHBondContact O-N 3.17Å; I836-Y840 HydrophobicContact CG2-CD2 3.73Å; I836-Y840 HydrophobicContact CG2-CE2 3.81Å; I836-Y840 WeakPolarHBondContact O-CD2 3.48Å; I836-Y840 PolarHBondContact O-N 2.97Å; I836-Y840 VanDerWaalsContact O-N 3.09Å
837L81.3Confident80.5Confident24 Ų2467.6 Ų67.613%0.12634%0.339CS..Hα-helixtrans-57-47.6178.4-175.869.9000111.3V763 V766 E767 M770 L833 Q834 V839 Y840 Q841V763-L837 HydrophobicContact CG1-CD1 3.7Å; V766-L837 HydrophobicContact CB-CB 4.42Å; V766-L837 HydrophobicContact CB-CD1 3.87Å; V766-L837 HydrophobicContact CG1-CB 3.79Å; V766-L837 HydrophobicContact CG1-CD1 4.09Å; E767-L837 HydrophobicContact CG-CD1 3.8Å; M770-L837 HydrophobicContact SD-CB 4.46Å; M770-L837 HydrophobicContact SD-CD2 4.08Å; L833-L837 PolarHBondContact O-N 3.49Å; Q834-L837 WeakPolarHBondContact O-CB 3.44Å; Q834-L837 PolarHBondContact O-N 3.41Å; Q834-L837 VanDerWaalsContact O-N 3.14Å; L837-V839 PolarHBondContact O-N 3.33Å; L837-Y840 PolarHBondContact O-N 3.09Å; L837-Q841 WeakPolarHBondContact O-CG 3.22Å; L837-Q841 PolarHBondContact O-N 3.24Å
838E78.9Confident80.2Confident43 Ų4366 Ų6620%0.20134%0.337CS..Hα-helixtrans-60.9-42180-67.5163.8-17600111.8Q834 I836 Q841 F842 T901Q834-E838 PolarHBondContact NE2-OE1 3.26Å; Q834-E838 WeakPolarHBondContact O-CG 3.21Å; Q834-E838 PolarHBondContact O-N 3.42Å; Q834-E838 VanDerWaalsContact O-N 3.13Å; I836-E838 VanDerWaalsContact C-N 3.33Å; I836-E838 PolarHBondContact O-N 2.66Å; E838-Q841 PolarHBondContact O-N 3.17Å; E838-F842 PolarHBondContact O-N 3.21Å; E838-T901 PolarHBondContact OE1-OG1 2.92Å; E838-T901 WeakPolarHBondContact OE2-CB 3.39Å; E838-T901 PolarHBondContact OE2-OG1 3.39Å
839V78.6Confident79.7Confident76 Ų7661.3 Ų61.346%0.46132%0.316SS..Hα-helixtrans-63.4-43.2175.9171.60000112L835 I836 L837 F842 A843L835-V839 HydrophobicContact CD2-CG2 4.42Å; L835-V839 WeakPolarHBondContact O-CG2 3.39Å; L835-V839 PolarHBondContact O-N 3.42Å; I836-V839 PolarHBondContact O-N 3.17Å; L837-V839 PolarHBondContact O-N 3.33Å; V839-F842 PolarHBondContact O-N 3.18Å; V839-A843 WeakPolarHBondContact O-CB 3.45Å; V839-A843 PolarHBondContact O-N 3.3Å
840Y79.9Confident79.4Confident84 Ų8465.6 Ų65.633%0.32934%0.338SS..Hα-helixtrans-70.1-31.4177.4-86-83.8000112.9P760 V766 I836 L837 R844P760-Y840 HydrophobicContact CG-CE2 4.38Å; P760-Y840 PolarHBondContact O-OH 2.82Å; V766-Y840 HydrophobicContact CG2-CD2 4.18Å; I836-Y840 HydrophobicContact CG2-CD2 3.73Å; I836-Y840 HydrophobicContact CG2-CE2 3.81Å; I836-Y840 WeakPolarHBondContact O-CD2 3.48Å; I836-Y840 PolarHBondContact O-N 2.97Å; I836-Y840 VanDerWaalsContact O-N 3.09Å; L837-Y840 PolarHBondContact O-N 3.09Å; Y840-R844 PolarHBondContact O-N 3.37Å
841Q79.1Confident78.9Confident65 Ų6565.2 Ų65.230%0.30435%0.35SS..Hα-helixtrans-68-47.4172.8-72.8175-3.200111.4V763 L837 E838 A843 R844 D845V763-Q841 HydrophobicContact CG1-CG 3.99Å; V763-Q841 HydrophobicContact CG2-CG 4.08Å; L837-Q841 WeakPolarHBondContact O-CG 3.22Å; L837-Q841 PolarHBondContact O-N 3.24Å; E838-Q841 PolarHBondContact O-N 3.17Å; Q841-A843 PolarHBondContact O-N 2.84Å; Q841-R844 WeakPolarHBondContact O-CB 3.43Å; Q841-R844 PolarHBondContact O-N 3.27Å; Q841-D845 VanDerWaalsContact O-CG 3.3Å; Q841-D845 PolarHBondContact O-N 2.99Å
842F77.4Confident78.6Confident88 Ų8862.8 Ų62.839%0.38634%0.336SS..Hα-helixtrans-57.7-47.5175.2176.9-93.3000112E838 V839 R844 D845 A846 L896 T900E838-F842 PolarHBondContact O-N 3.21Å; V839-F842 PolarHBondContact O-N 3.18Å; F842-R844 VanDerWaalsContact C-N 3.3Å; F842-R844 PolarHBondContact O-N 3.49Å; F842-D845 PolarHBondContact O-N 3.12Å; F842-D845 VanDerWaalsContact O-N 3.16Å; F842-A846 HydrophobicContact CE1-CB 4.41Å; F842-A846 WeakPolarHBondContact O-CB 3.15Å; F842-A846 PolarHBondContact O-N 2.91Å; F842-L896 HydrophobicContact CD2-CD2 4.03Å; F842-L896 HydrophobicContact CE2-CB 4.41Å; F842-L896 HydrophobicContact CE2-CD2 3.81Å; F842-L896 HydrophobicContact CZ-CD2 4.49Å; F842-T900 HydrophobicContact CD2-CG2 4.06Å; F842-T900 HydrophobicContact CG-CG2 4.27Å
843A75.7Confident78.3Confident56 Ų5662.6 Ų62.646%0.46334%0.335SS..Hα-helixtrans-60.7-37.418000000112.9V839 Q841 A847V839-A843 WeakPolarHBondContact O-CB 3.45Å; V839-A843 PolarHBondContact O-N 3.3Å; Q841-A843 PolarHBondContact O-N 2.84Å; A843-A847 PolarHBondContact O-N 3.5Å
844R79.3Confident78Confident123 Ų12367 Ų6746%0.46436%0.357SS..Hα-helixtrans-65-47.6173.7-179.1-164.267.9-153.4-9111.2Y840 Q841 F842 A847 V848Y840-R844 PolarHBondContact O-N 3.37Å; Q841-R844 WeakPolarHBondContact O-CB 3.43Å; Q841-R844 PolarHBondContact O-N 3.27Å; F842-R844 VanDerWaalsContact C-N 3.3Å; F842-R844 PolarHBondContact O-N 3.49Å; R844-A847 PolarHBondContact O-N 3.42Å; R844-V848 WeakPolarHBondContact O-CG2 3.41Å; R844-V848 PolarHBondContact O-N 2.67Å
845D78.1Confident77.7Confident71 Ų7166.2 Ų66.238%0.3837%0.365SS..Hα-helixtrans-74.7-32.1-172-63.9-11.1000111.5Q841 F842 V848 A849 L896Q841-D845 VanDerWaalsContact O-CG 3.3Å; Q841-D845 PolarHBondContact O-N 2.99Å; F842-D845 PolarHBondContact O-N 3.12Å; F842-D845 VanDerWaalsContact O-N 3.16Å; D845-V848 PolarHBondContact O-N 3.44Å; D845-A849 PolarHBondContact O-N 3.12Å; D845-L896 HydrophobicContact CB-CD2 4.31Å
846A76.4Confident77.4Confident28 Ų2866.5 Ų66.523%0.23137%0.365CS..Hα-helixtrans-62.9-47.1171.400000112.3F842 V848 A849 E850 L896F842-A846 HydrophobicContact CE1-CB 4.41Å; F842-A846 WeakPolarHBondContact O-CB 3.15Å; F842-A846 PolarHBondContact O-N 2.91Å; A846-V848 VanDerWaalsContact C-N 3.27Å; A846-V848 PolarHBondContact O-N 3.33Å; A846-A849 PolarHBondContact O-N 3.04Å; A846-A849 VanDerWaalsContact O-N 3.11Å; A846-E850 PolarHBondContact O-N 3.33Å; A846-L896 HydrophobicContact CB-CD1 4.47Å; A846-L896 HydrophobicContact CB-CD2 4.02Å
847A77.4Confident77.1Confident57 Ų5770.5 Ų70.547%0.47138%0.383SS..Hα-helixtrans-62.8-32.5178.300000112.8A843 R844 A851A843-A847 PolarHBondContact O-N 3.5Å; R844-A847 PolarHBondContact O-N 3.42Å; A847-A851 WeakPolarHBondContact O-CB 3.34Å; A847-A851 PolarHBondContact O-N 3Å
848V78.9Confident76.4Confident72 Ų7274 Ų7444%0.43641%0.407SS..Hα-helixtrans-68.2-37.6174.1170.20000111.7R844 D845 A846 W852R844-V848 WeakPolarHBondContact O-CG2 3.41Å; R844-V848 PolarHBondContact O-N 2.67Å; D845-V848 PolarHBondContact O-N 3.44Å; A846-V848 VanDerWaalsContact C-N 3.27Å; A846-V848 PolarHBondContact O-N 3.33Å; V848-W852 PolarHBondContact O-N 2.94Å
849A74.7Confident76Confident8 Ų875.6 Ų75.67%0.06641%0.412CS..Hα-helixtrans-74-41.6-179.500000112.5D845 A846 A851 W852 L853 F893 L896D845-A849 PolarHBondContact O-N 3.12Å; A846-A849 PolarHBondContact O-N 3.04Å; A846-A849 VanDerWaalsContact O-N 3.11Å; A849-A851 PolarHBondContact O-N 3.44Å; A849-W852 PolarHBondContact O-N 3.42Å; A849-W852 VanDerWaalsContact O-N 3.15Å; A849-L853 PolarHBondContact O-N 3.49Å; A849-F893 HydrophobicContact CB-CD1 4.23Å; A849-F893 HydrophobicContact CB-CE1 3.62Å; A849-F893 HydrophobicContact CB-CZ 4.12Å; A849-L896 HydrophobicContact CB-CD1 3.48Å; A849-L896 VanDerWaalsContact CB-CD1 3.48Å
850E77.9Confident75.7Confident129 Ų12976.6 Ų76.660%0.60341%0.414SS*.Hα-helixtrans-58-45.8174.2-176.5176.9-155.500111.6A846 W852 L853 I854A846-E850 PolarHBondContact O-N 3.33Å; E850-W852 PolarHBondContact O-N 3.39Å; E850-L853 PolarHBondContact O-N 3.35Å; E850-I854 HydrophobicContact CG-CD1 4.15Å; E850-I854 WeakPolarHBondContact O-CG1 3.31Å; E850-I854 PolarHBondContact O-N 2.98Å
851A76.3Confident75.3Confident63 Ų6379.3 Ų79.352%0.52143%0.433SS..Hα-helixtrans-61.5-28.4177.300000113.6A847 A849A847-A851 WeakPolarHBondContact O-CB 3.34Å; A847-A851 PolarHBondContact O-N 3Å; A849-A851 PolarHBondContact O-N 3.44Å
852W77Confident74.5Confident53 Ų5379.7 Ų79.720%0.20144%0.443CS..Hα-helixtrans-75.4-40.6176.7-177.586.3000112.5V848 A849 E850 A855 Q856 A886 Q889 F893V848-W852 PolarHBondContact O-N 2.94Å; A849-W852 PolarHBondContact O-N 3.42Å; A849-W852 VanDerWaalsContact O-N 3.15Å; E850-W852 PolarHBondContact O-N 3.39Å; W852-A855 PolarHBondContact O-N 2.97Å; W852-Q856 HydrophobicContact CD2-CG 4.46Å; W852-Q856 HydrophobicContact CH2-CG 4.05Å; W852-Q856 HydrophobicContact CZ2-CG 3.84Å; W852-Q856 HydrophobicContact CZ3-CG 4.46Å; W852-A886 HydrophobicContact CH2-CB 4.28Å; W852-Q889 HydrophobicContact CD2-CB 4.42Å; W852-Q889 HydrophobicContact CD2-CG 3.71Å; W852-Q889 HydrophobicContact CE3-CB 4.25Å; W852-Q889 HydrophobicContact CE3-CG 4.04Å; W852-Q889 HydrophobicContact CG-CG 4.26Å; W852-Q889 HydrophobicContact CH2-CB 4.3Å; W852-Q889 HydrophobicContact CH2-CG 4.12Å; W852-Q889 HydrophobicContact CZ2-CB 4.45Å; W852-Q889 HydrophobicContact CZ2-CG 3.78Å; W852-Q889 HydrophobicContact CZ3-CB 4.18Å; W852-Q889 HydrophobicContact CZ3-CG 4.22Å; W852-F893 AromaticContact CE3-CE2 3.89Å; W852-F893 HydrophobicContact CE3-CE2 3.89Å; W852-F893 AromaticContact CE3-CZ 3.95Å; W852-F893 HydrophobicContact CE3-CZ 3.95Å; W852-F893 HydrophobicContact CZ3-CE2 4.01Å; W852-F893 HydrophobicContact CZ3-CZ 4.41Å
853L74.6Confident73.9Confident90 Ų9080.7 Ų80.747%0.47146%0.461SS..Hα-helixtrans-59.9-48.7178.1-70.2172.1000111.6A849 E850 A855 Q856 F893A849-L853 PolarHBondContact O-N 3.49Å; E850-L853 PolarHBondContact O-N 3.35Å; L853-A855 PolarHBondContact O-N 3.14Å; L853-Q856 PolarHBondContact O-N 3.4Å; L853-F893 HydrophobicContact CD1-CE1 3.76Å; L853-F893 HydrophobicContact CD1-CZ 3.99Å; L853-F893 HydrophobicContact CD2-CE1 4.24Å; L853-F893 HydrophobicContact CD2-CE2 4.2Å; L853-F893 HydrophobicContact CD2-CZ 3.67Å; L853-F893 HydrophobicContact CG-CE1 3.94Å; L853-F893 HydrophobicContact CG-CZ 3.62Å
854I76Confident73.2Confident103 Ų10385.4 Ų85.453%0.52847%0.473SS..Hα-helixtrans-57.5-33.8-179.6-65.1167.8000111.5E850 Q856E850-I854 HydrophobicContact CG-CD1 4.15Å; E850-I854 WeakPolarHBondContact O-CG1 3.31Å; E850-I854 PolarHBondContact O-N 2.98Å; I854-Q856 VanDerWaalsContact C-N 3.27Å; I854-Q856 PolarHBondContact O-N 2.98Å
855A74.3Confident72.4Confident66 Ų6686.8 Ų86.855%0.54549%0.49SS..Hα-helixtrans-69.9-19.118000000114.1W852 L853W852-A855 PolarHBondContact O-N 2.97Å; L853-A855 PolarHBondContact O-N 3.14Å
856Q72.9Confident71.7Confident52 Ų5284.5 Ų84.524%0.24348%0.483CS..Hα-helixtrans-99.8-20-176.1-56.1-56.5-37.100114.3W852 L853 I854 P858 Y859 F882W852-Q856 HydrophobicContact CD2-CG 4.46Å; W852-Q856 HydrophobicContact CH2-CG 4.05Å; W852-Q856 HydrophobicContact CZ2-CG 3.84Å; W852-Q856 HydrophobicContact CZ3-CG 4.46Å; L853-Q856 PolarHBondContact O-N 3.4Å; I854-Q856 VanDerWaalsContact C-N 3.27Å; I854-Q856 PolarHBondContact O-N 2.98Å; Q856-P858 VanDerWaalsContact C-CD 3.43Å; Q856-Y859 PolarHBondContact O-N 3.46Å; Q856-Y859 VanDerWaalsContact O-N 3.14Å; Q856-F882 HydrophobicContact CB-CE2 3.89Å; Q856-F882 HydrophobicContact CG-CE2 4.08Å
857E73.8Confident70.9Confident129 Ų12992.3 Ų92.360%0.60351%0.514SS*.Hα-helixtrans-48.1-46.2-179.4-87.6-170.4143.600114.9Y859 L860E857-Y859 PolarHBondContact O-N 3.36Å; E857-Y859 VanDerWaalsContact O-N 3.16Å; E857-L860 PolarHBondContact O-N 2.98Å
858P67.3Low69.9Low99 Ų9993.1 Ų93.164%0.64351%0.513SS*.Hα-helixtrans-64-24.6-175.5-2334.6000113.9Q856Q856-P858 VanDerWaalsContact C-CD 3.43Å
859Y71.1Confident69Low76 Ų7696 Ų9630%0.29852%0.524SS..Hα-helixtrans-74.5-38.6179.7167.9-108.4000112.1Q856 E857 L861 K878 H879 F882Q856-Y859 PolarHBondContact O-N 3.46Å; Q856-Y859 VanDerWaalsContact O-N 3.14Å; E857-Y859 PolarHBondContact O-N 3.36Å; E857-Y859 VanDerWaalsContact O-N 3.16Å; Y859-L861 VanDerWaalsContact C-N 3.29Å; Y859-L861 PolarHBondContact O-N 2.98Å; Y859-K878 HydrophobicContact CE2-CB 4.5Å; Y859-H879 AromaticContact CE1-ND1 3.86Å; Y859-H879 AromaticContact CZ-ND1 3.91Å; Y859-H879 WeakPolarHBondContact OH-CA 3.41Å; Y859-H879 PolarHBondContact OH-N 2.95Å; Y859-H879 PolarHBondContact OH-ND1 3.18Å; Y859-H879 VanDerWaalsContact OH-ND1 3.17Å; Y859-F882 HydrophobicContact CD1-CB 4.11Å; Y859-F882 AromaticContact CD1-CD2 3.96Å; Y859-F882 HydrophobicContact CD1-CD2 3.96Å; Y859-F882 AromaticContact CD1-CG 3.92Å; Y859-F882 HydrophobicContact CD1-CG 3.92Å; Y859-F882 HydrophobicContact CE1-CB 3.48Å; Y859-F882 VanDerWaalsContact CE1-CB 3.48Å; Y859-F882 HydrophobicContact CE1-CD1 4.13Å; Y859-F882 HydrophobicContact CE1-CD2 4.15Å; Y859-F882 AromaticContact CE1-CG 3.63Å; Y859-F882 HydrophobicContact CE1-CG 3.63Å
860L71.1Confident68.4Low97 Ų97101.1 Ų101.151%0.50855%0.551SS.*Hα-helixtrans-73.3-16.4-175-73.2169.2000114.5E857 F882E857-L860 PolarHBondContact O-N 2.98Å; L860-F882 HydrophobicContact CD1-CE1 4.38Å; L860-F882 HydrophobicContact CD1-CZ 3.93Å; L860-F882 HydrophobicContact CD2-CD1 4.19Å; L860-F882 HydrophobicContact CD2-CE1 3.72Å; L860-F882 HydrophobicContact CD2-CZ 4.06Å; L860-F882 HydrophobicContact CG-CE1 4.4Å; L860-F882 HydrophobicContact CG-CZ 4.24Å
861L71.3Confident67.8Low141 Ų14199.4 Ų99.474%0.73854%0.543SS*.THydrogen-bonded Turntrans-88.4-0-177.5-77156.9000114.3Y859Y859-L861 VanDerWaalsContact C-N 3.29Å; Y859-L861 PolarHBondContact O-N 2.98Å
862S63.6Low67.5Low72 Ų7299.1 Ų99.150%0.50354%0.535SS..  trans-75.5127.3-179.4-178.70000112.7
863S63.6Low67Low110 Ų110101.3 Ų101.377%0.76955%0.547SS*.  trans-106.710.1-177.4-49.70000114.5
864E61.4Low66.8Low154 Ų154101.9 Ų101.972%0.7255%0.551SS**  trans-73.6126.6-179.6-66.9-176.4162.600110.9L875E864-L875 WeakPolarHBondContact O-CD1 3.3Å
865L62.7Low66.6Low153 Ų15399.7 Ų99.780%0.80154%0.54SS*.  trans-108.37.9-174.7-76.2166.1000114V872L865-V872 VanDerWaalsContact O-CG2 3.31Å; L865-V872 WeakPolarHBondContact O-CG2 3.35Å
866G62.7Low66.5Low23 Ų23100.9 Ų100.924%0.23754%0.536CS..  trans70.1153.9-176.300000114.2
867H59.9Low66.6Low191 Ų191103.7 Ų103.788%0.88455%0.547SS*.SBendtrans-115.9-7.9173.9-63.6-32.7000112.6E871H867-E871 PolarHBondContact N-OE2 2.69Å
868T56.3Low66.4Low74 Ų74104 Ų10445%0.45455%0.547SS..SBendtrans-129.9154.8173.959.50000110.8D870 E871 V872T868-D870 VanDerWaalsContact C-N 3.26Å; T868-D870 PolarHBondContact O-N 3.37Å; T868-E871 PolarHBondContact N-OE2 3.32Å; T868-E871 WeakPolarHBondContact O-CB 3.36Å; T868-E871 PolarHBondContact O-N 2.86Å; T868-E871 VanDerWaalsContact O-N 3.1Å; T868-E871 VanDerWaalsContact OG1-CG 3.25Å; T868-E871 WeakPolarHBondContact OG1-CG 3.46Å; T868-E871 PolarHBondContact OG1-OE2 2.91Å; T868-V872 WeakPolarHBondContact O-CG2 3.37Å; T868-V872 PolarHBondContact O-N 2.81Å
869I60Low66.9Low132 Ų132103.1 Ų103.168%0.67753%0.534SS*.Hα-helixtrans-59.2-39.4-178.4-63.9172.3000111.1E871 V872 E873I869-E871 VanDerWaalsContact C-N 3.31Å; I869-E871 PolarHBondContact O-N 3.44Å; I869-V872 PolarHBondContact O-N 3.38Å; I869-E873 PolarHBondContact O-N 2.89Å
870D63.7Low67Low117 Ų117104.7 Ų104.763%0.62654%0.544SS*.Hα-helixtrans-62.4-33.3177-66.9-25.7000113.2T868 N874T868-D870 VanDerWaalsContact C-N 3.26Å; T868-D870 PolarHBondContact O-N 3.37Å; D870-N874 WeakPolarHBondContact O-CB 3.23Å; D870-N874 PolarHBondContact O-N 2.94Å; D870-N874 PolarHBondContact O-ND2 2.87Å
871E64.9Low67.1Low92 Ų92102.9 Ų102.943%0.4354%0.543SS..Hα-helixtrans-71.1-43175.2-73.5164.3155.700111.3H867 T868 I869 N874 L875H867-E871 PolarHBondContact N-OE2 2.69Å; T868-E871 PolarHBondContact N-OE2 3.32Å; T868-E871 WeakPolarHBondContact O-CB 3.36Å; T868-E871 PolarHBondContact O-N 2.86Å; T868-E871 VanDerWaalsContact O-N 3.1Å; T868-E871 VanDerWaalsContact OG1-CG 3.25Å; T868-E871 WeakPolarHBondContact OG1-CG 3.46Å; T868-E871 PolarHBondContact OG1-OE2 2.91Å; I869-E871 VanDerWaalsContact C-N 3.31Å; I869-E871 PolarHBondContact O-N 3.44Å; E871-N874 PolarHBondContact O-N 3.42Å; E871-L875 WeakPolarHBondContact O-CG 3.22Å; E871-L875 PolarHBondContact O-N 3.17Å
872V68.5Low67.5Low58 Ų5897.9 Ų97.935%0.35252%0.516SS..Hα-helixtrans-64.4-45.3178-1720000110.9L865 T868 I869 N874 L875 I876L865-V872 VanDerWaalsContact O-CG2 3.31Å; L865-V872 WeakPolarHBondContact O-CG2 3.35Å; T868-V872 WeakPolarHBondContact O-CG2 3.37Å; T868-V872 PolarHBondContact O-N 2.81Å; I869-V872 PolarHBondContact O-N 3.38Å; V872-N874 VanDerWaalsContact C-N 3.29Å; V872-N874 PolarHBondContact O-N 2.93Å; V872-L875 PolarHBondContact O-N 3.34Å; V872-I876 HydrophobicContact CG1-CD1 3.95Å; V872-I876 HydrophobicContact CG1-CG1 4.48Å; V872-I876 WeakPolarHBondContact O-CG1 3.41Å; V872-I876 PolarHBondContact O-N 3.45Å
873E67.1Low68.1Low99 Ų9999.8 Ų99.846%0.46352%0.517SS..Hα-helixtrans-60.9-36.3176.1-77.8-160.9-174.300112.9I869 K877I869-E873 PolarHBondContact O-N 2.89Å; E873-K877 WeakPolarHBondContact O-CB 3.5Å; E873-K877 WeakPolarHBondContact O-CG 3.4Å; E873-K877 PolarHBondContact O-N 3.33Å; E873-K877 IonicContact OE2-NZ 2.85Å; E873-K877 PolarHBondContact OE2-NZ 2.88Å
874N70.4Confident68.7Low101 Ų101102.4 Ų102.454%0.5451%0.514SS..Hα-helixtrans-72.5-34.7176.7-82.6-52.2000112.9D870 E871 V872 K878D870-N874 WeakPolarHBondContact O-CB 3.23Å; D870-N874 PolarHBondContact O-N 2.94Å; D870-N874 PolarHBondContact O-ND2 2.87Å; E871-N874 PolarHBondContact O-N 3.42Å; V872-N874 VanDerWaalsContact C-N 3.29Å; V872-N874 PolarHBondContact O-N 2.93Å; N874-K878 PolarHBondContact O-N 2.84Å; N874-K878 VanDerWaalsContact O-N 3.07Å
875L71.2Confident69.4Low58 Ų5897.1 Ų97.130%0.30449%0.494SS..Hα-helixtrans-67.3-42.7173.2-73.5166.8000111.3E864 E871 V872 K878 H879E864-L875 WeakPolarHBondContact O-CD1 3.3Å; E871-L875 WeakPolarHBondContact O-CG 3.22Å; E871-L875 PolarHBondContact O-N 3.17Å; V872-L875 PolarHBondContact O-N 3.34Å; L875-K878 PolarHBondContact O-N 3.42Å; L875-H879 PolarHBondContact O-N 3.37Å
876I74Confident70Confident90 Ų9091.2 Ų91.246%0.46247%0.468SS..Hα-helixtrans-59.1-50.4173.5-68.8168.4000110.4V872 K878 H879 E880V872-I876 HydrophobicContact CG1-CD1 3.95Å; V872-I876 HydrophobicContact CG1-CG1 4.48Å; V872-I876 WeakPolarHBondContact O-CG1 3.41Å; V872-I876 PolarHBondContact O-N 3.45Å; I876-K878 VanDerWaalsContact C-N 3.27Å; I876-K878 PolarHBondContact O-N 3.45Å; I876-H879 WeakPolarHBondContact O-CA 3.43Å; I876-H879 PolarHBondContact O-N 2.91Å; I876-E880 HydrophobicContact CG2-CG 4.3Å; I876-E880 WeakPolarHBondContact O-CG 3.45Å; I876-E880 PolarHBondContact O-N 3.23Å
877K73.6Confident70.6Confident111 Ų11193 Ų9348%0.48348%0.48SS..Hα-helixtrans-58.6-34.2177.1-77.9167.2-177.9144.90113.5E873 A881E873-K877 WeakPolarHBondContact O-CB 3.5Å; E873-K877 WeakPolarHBondContact O-CG 3.4Å; E873-K877 PolarHBondContact O-N 3.33Å; E873-K877 IonicContact OE2-NZ 2.85Å; E873-K877 PolarHBondContact OE2-NZ 2.88Å; K877-A881 WeakPolarHBondContact O-CB 3.25Å; K877-A881 PolarHBondContact O-N 2.96Å
878K71Confident71.2Confident137 Ų13787.1 Ų87.160%0.59646%0.464SS*.Hα-helixtrans-68.1-38.3172.3-84.7-176.8174.9178.10112.1Y859 N874 L875 I876 A881 F882Y859-K878 HydrophobicContact CE2-CB 4.5Å; N874-K878 PolarHBondContact O-N 2.84Å; N874-K878 VanDerWaalsContact O-N 3.07Å; L875-K878 PolarHBondContact O-N 3.42Å; I876-K878 VanDerWaalsContact C-N 3.27Å; I876-K878 PolarHBondContact O-N 3.45Å; K878-A881 PolarHBondContact O-N 3.03Å; K878-F882 PolarHBondContact O-N 3.23Å
879H76.6Confident72.1Confident79 Ų7985.2 Ų85.237%0.36645%0.45SS..Hα-helixtrans-70.8-43.7178.6-151.467.6000111.9Y859 L875 I876 A881 F882 E883Y859-H879 AromaticContact CE1-ND1 3.86Å; Y859-H879 AromaticContact CZ-ND1 3.91Å; Y859-H879 WeakPolarHBondContact OH-CA 3.41Å; Y859-H879 PolarHBondContact OH-N 2.95Å; Y859-H879 PolarHBondContact OH-ND1 3.18Å; Y859-H879 VanDerWaalsContact OH-ND1 3.17Å; L875-H879 PolarHBondContact O-N 3.37Å; I876-H879 WeakPolarHBondContact O-CA 3.43Å; I876-H879 PolarHBondContact O-N 2.91Å; H879-A881 PolarHBondContact O-N 3.07Å; H879-F882 WeakPolarHBondContact O-CA 3.28Å; H879-F882 WeakPolarHBondContact O-CB 3.36Å; H879-F882 PolarHBondContact O-N 3.18Å; H879-E883 PolarHBondContact O-N 3.1Å
880E74.1Confident72.8Confident109 Ų10984.7 Ų84.751%0.50945%0.445SS..Hα-helixtrans-56.7-33.9171.2-69.1-178.915300112.3I876 K884I876-E880 HydrophobicContact CG2-CG 4.3Å; I876-E880 WeakPolarHBondContact O-CG 3.45Å; I876-E880 PolarHBondContact O-N 3.23Å; E880-K884 WeakPolarHBondContact O-CB 3.34Å; E880-K884 PolarHBondContact O-N 3.22Å; E880-K884 VanDerWaalsContact O-N 3.13Å
881A73.2Confident73.2Confident60 Ų6086.9 Ų86.950%0.49645%0.451SS..Hα-helixtrans-72.5-37.417500000112.7K877 K878 H879 S885K877-A881 WeakPolarHBondContact O-CB 3.25Å; K877-A881 PolarHBondContact O-N 2.96Å; K878-A881 PolarHBondContact O-N 3.03Å; H879-A881 PolarHBondContact O-N 3.07Å; A881-S885 PolarHBondContact O-N 2.87Å; A881-S885 VanDerWaalsContact O-N 3.12Å
882F78.5Confident73.5Confident36 Ų3689.3 Ų89.316%0.15846%0.456CS..Hα-helixtrans-66.5-47.9172.3167.7-97.9000111.6Q856 Y859 L860 K878 H879 K884 S885 A886Q856-F882 HydrophobicContact CB-CE2 3.89Å; Q856-F882 HydrophobicContact CG-CE2 4.08Å; Y859-F882 HydrophobicContact CD1-CB 4.11Å; Y859-F882 AromaticContact CD1-CD2 3.96Å; Y859-F882 HydrophobicContact CD1-CD2 3.96Å; Y859-F882 AromaticContact CD1-CG 3.92Å; Y859-F882 HydrophobicContact CD1-CG 3.92Å; Y859-F882 HydrophobicContact CE1-CB 3.48Å; Y859-F882 VanDerWaalsContact CE1-CB 3.48Å; Y859-F882 HydrophobicContact CE1-CD1 4.13Å; Y859-F882 HydrophobicContact CE1-CD2 4.15Å; Y859-F882 AromaticContact CE1-CG 3.63Å; Y859-F882 HydrophobicContact CE1-CG 3.63Å; L860-F882 HydrophobicContact CD1-CE1 4.38Å; L860-F882 HydrophobicContact CD1-CZ 3.93Å; L860-F882 HydrophobicContact CD2-CD1 4.19Å; L860-F882 HydrophobicContact CD2-CE1 3.72Å; L860-F882 HydrophobicContact CD2-CZ 4.06Å; L860-F882 HydrophobicContact CG-CE1 4.4Å; L860-F882 HydrophobicContact CG-CZ 4.24Å; K878-F882 PolarHBondContact O-N 3.23Å; H879-F882 WeakPolarHBondContact O-CA 3.28Å; H879-F882 WeakPolarHBondContact O-CB 3.36Å; H879-F882 PolarHBondContact O-N 3.18Å; F882-K884 VanDerWaalsContact C-N 3.27Å; F882-K884 PolarHBondContact O-N 3.48Å; F882-S885 CarbonylContact O-C 3.54Å; F882-S885 WeakPolarHBondContact O-CA 3.26Å; F882-S885 WeakPolarHBondContact O-CB 3.27Å; F882-S885 PolarHBondContact O-N 3.22Å; F882-A886 HydrophobicContact CE1-CB 4.45Å; F882-A886 HydrophobicContact CZ-CB 4.27Å; F882-A886 PolarHBondContact O-N 3.37Å
883E76.7Confident73.7Confident112 Ų11289 Ų8952%0.52345%0.451SS..Hα-helixtrans-55.5-42.7176.2-73-176.1149.400111.3H879 S885 A886 A887H879-E883 PolarHBondContact O-N 3.1Å; E883-S885 PolarHBondContact O-N 3.24Å; E883-A886 PolarHBondContact O-N 3.36Å; E883-A887 WeakPolarHBondContact O-CB 3.42Å; E883-A887 PolarHBondContact O-N 2.87Å
884K76.1Confident73.9Confident164 Ų16486.8 Ų86.871%0.71345%0.446SS*.Hα-helixtrans-61.1-38.9171.8-88.7179.8174.7169.20113.6E880 F882 A888E880-K884 WeakPolarHBondContact O-CB 3.34Å; E880-K884 PolarHBondContact O-N 3.22Å; E880-K884 VanDerWaalsContact O-N 3.13Å; F882-K884 VanDerWaalsContact C-N 3.27Å; F882-K884 PolarHBondContact O-N 3.48Å; K884-A888 VanDerWaalsContact O-CB 3.3Å; K884-A888 WeakPolarHBondContact O-CB 3.34Å; K884-A888 PolarHBondContact O-N 2.76Å; K884-A888 VanDerWaalsContact O-N 3.13Å
885S75.6Confident73.8Confident44 Ų4484.1 Ų84.131%0.30844%0.438SS..Hα-helixtrans-72-33.8177.4-172.40000112.8A881 F882 E883 Q889A881-S885 PolarHBondContact O-N 2.87Å; A881-S885 VanDerWaalsContact O-N 3.12Å; F882-S885 CarbonylContact O-C 3.54Å; F882-S885 WeakPolarHBondContact O-CA 3.26Å; F882-S885 WeakPolarHBondContact O-CB 3.27Å; F882-S885 PolarHBondContact O-N 3.22Å; E883-S885 PolarHBondContact O-N 3.24Å; S885-Q889 PolarHBondContact O-N 2.98Å
886A76.4Confident73.7Confident29 Ų2983.5 Ų83.524%0.2444%0.435CS..Hα-helixtrans-69.4-50.6175.700000110.9W852 F882 E883 A888 Q889 E890W852-A886 HydrophobicContact CH2-CB 4.28Å; F882-A886 HydrophobicContact CE1-CB 4.45Å; F882-A886 HydrophobicContact CZ-CB 4.27Å; F882-A886 PolarHBondContact O-N 3.37Å; E883-A886 PolarHBondContact O-N 3.36Å; A886-A888 PolarHBondContact O-N 3.13Å; A886-A888 VanDerWaalsContact O-N 3.15Å; A886-Q889 CarbonylContact O-C 3.55Å; A886-Q889 PolarHBondContact O-N 3.44Å; A886-E890 PolarHBondContact O-N 3.37Å
887A74.8Confident73.2Confident60 Ų6086.6 Ų86.650%0.49645%0.447SS..Hα-helixtrans-56.4-31.417400000112.8E883 E890E883-A887 WeakPolarHBondContact O-CB 3.42Å; E883-A887 PolarHBondContact O-N 2.87Å; A887-E890 WeakPolarHBondContact O-CB 3.44Å
888A73.4Confident72.9Confident67 Ų6790 Ų9055%0.55446%0.457SS*.Hα-helixtrans-77.9-17.8175.100000114.8K884 A886K884-A888 VanDerWaalsContact O-CB 3.3Å; K884-A888 WeakPolarHBondContact O-CB 3.34Å; K884-A888 PolarHBondContact O-N 2.76Å; K884-A888 VanDerWaalsContact O-N 3.13Å; A886-A888 PolarHBondContact O-N 3.13Å; A886-A888 VanDerWaalsContact O-N 3.15Å
889Q75.3Confident72.4Confident35 Ų3588.2 Ų88.216%0.16445%0.454CS..Hα-helixtrans-95.2-12.3168.9-66.4-51.4-67.200112.9W852 S885 A886 E891 R892 F893W852-Q889 HydrophobicContact CD2-CB 4.42Å; W852-Q889 HydrophobicContact CD2-CG 3.71Å; W852-Q889 HydrophobicContact CE3-CB 4.25Å; W852-Q889 HydrophobicContact CE3-CG 4.04Å; W852-Q889 HydrophobicContact CG-CG 4.26Å; W852-Q889 HydrophobicContact CH2-CB 4.3Å; W852-Q889 HydrophobicContact CH2-CG 4.12Å; W852-Q889 HydrophobicContact CZ2-CB 4.45Å; W852-Q889 HydrophobicContact CZ2-CG 3.78Å; W852-Q889 HydrophobicContact CZ3-CB 4.18Å; W852-Q889 HydrophobicContact CZ3-CG 4.22Å; S885-Q889 PolarHBondContact O-N 2.98Å; A886-Q889 CarbonylContact O-C 3.55Å; A886-Q889 PolarHBondContact O-N 3.44Å; Q889-E891 VanDerWaalsContact C-N 3.27Å; Q889-E891 PolarHBondContact O-N 3.3Å; Q889-R892 WeakPolarHBondContact O-CA 3.26Å; Q889-R892 VanDerWaalsContact O-CB 3.29Å; Q889-R892 WeakPolarHBondContact O-CB 3.41Å; Q889-R892 PolarHBondContact O-N 3.45Å; Q889-R892 VanDerWaalsContact OE1-NH1 3.11Å; Q889-F893 HydrophobicContact CB-CD2 4.19Å; Q889-F893 HydrophobicContact CB-CE2 3.79Å; Q889-F893 VanDerWaalsContact O-CD2 3.24Å; Q889-F893 WeakPolarHBondContact O-CD2 3.18Å; Q889-F893 PolarHBondContact O-N 3.04Å; Q889-F893 VanDerWaalsContact O-N 3.12Å
890E73.9Confident71.8Confident121 Ų12186 Ų8657%0.56545%0.446SS*.Hα-helixtrans-53.8-42.4179.1-160.8130-163.100111.9A886 A887 R892 F893 S894A886-E890 PolarHBondContact O-N 3.37Å; A887-E890 WeakPolarHBondContact O-CB 3.44Å; E890-R892 PolarHBondContact O-N 2.99Å; E890-F893 PolarHBondContact O-N 2.94Å; E890-F893 VanDerWaalsContact O-N 3.13Å; E890-S894 WeakPolarHBondContact O-CB 3.38Å; E890-S894 PolarHBondContact O-N 2.94Å; E890-S894 PolarHBondContact O-OG 3.34Å
891E71.4Confident71.2Confident163 Ų16383.7 Ų83.776%0.76244%0.439SS*.Hα-helixtrans-59.2-29.3173.9-69.9-163.5148.600114.1Q889 A895Q889-E891 VanDerWaalsContact C-N 3.27Å; Q889-E891 PolarHBondContact O-N 3.3Å; E891-A895 WeakPolarHBondContact O-CB 3.28Å; E891-A895 PolarHBondContact O-N 3.48Å
892R71Confident70.9Confident142 Ų14285.7 Ų85.754%0.53644%0.437SS..Hα-helixtrans-77.8-37.8176.2-102.9173.3169.8-178.2-3.7112.1Q889 E890 A895 L896Q889-R892 WeakPolarHBondContact O-CA 3.26Å; Q889-R892 VanDerWaalsContact O-CB 3.29Å; Q889-R892 WeakPolarHBondContact O-CB 3.41Å; Q889-R892 PolarHBondContact O-N 3.45Å; Q889-R892 VanDerWaalsContact OE1-NH1 3.11Å; E890-R892 PolarHBondContact O-N 2.99Å; R892-A895 WeakPolarHBondContact O-CB 3.29Å; R892-A895 PolarHBondContact O-N 3.38Å; R892-L896 PolarHBondContact O-N 3.1Å
893F73.4Confident70.1Confident53 Ų5388 Ų8823%0.23245%0.448CS..Hα-helixtrans-67.8-45.3171.9-67.5-70.7000110.8A849 W852 L853 Q889 E890 A895 L896 E897A849-F893 HydrophobicContact CB-CD1 4.23Å; A849-F893 HydrophobicContact CB-CE1 3.62Å; A849-F893 HydrophobicContact CB-CZ 4.12Å; W852-F893 AromaticContact CE3-CE2 3.89Å; W852-F893 HydrophobicContact CE3-CE2 3.89Å; W852-F893 AromaticContact CE3-CZ 3.95Å; W852-F893 HydrophobicContact CE3-CZ 3.95Å; W852-F893 HydrophobicContact CZ3-CE2 4.01Å; W852-F893 HydrophobicContact CZ3-CZ 4.41Å; L853-F893 HydrophobicContact CD1-CE1 3.76Å; L853-F893 HydrophobicContact CD1-CZ 3.99Å; L853-F893 HydrophobicContact CD2-CE1 4.24Å; L853-F893 HydrophobicContact CD2-CE2 4.2Å; L853-F893 HydrophobicContact CD2-CZ 3.67Å; L853-F893 HydrophobicContact CG-CE1 3.94Å; L853-F893 HydrophobicContact CG-CZ 3.62Å; Q889-F893 HydrophobicContact CB-CD2 4.19Å; Q889-F893 HydrophobicContact CB-CE2 3.79Å; Q889-F893 VanDerWaalsContact O-CD2 3.24Å; Q889-F893 WeakPolarHBondContact O-CD2 3.18Å; Q889-F893 PolarHBondContact O-N 3.04Å; Q889-F893 VanDerWaalsContact O-N 3.12Å; E890-F893 PolarHBondContact O-N 2.94Å; E890-F893 VanDerWaalsContact O-N 3.13Å; F893-A895 PolarHBondContact O-N 3.36Å; F893-A895 VanDerWaalsContact O-N 3.13Å; F893-L896 WeakPolarHBondContact O-CA 3.42Å; F893-L896 WeakPolarHBondContact O-CB 3.49Å; F893-L896 PolarHBondContact O-N 3.15Å; F893-E897 PolarHBondContact O-N 3.24Å
894S72.2Confident69.4Low51 Ų5187.1 Ų87.136%0.35745%0.446SS..Hα-helixtrans-61.7-19.6171.9-59.20000113.8E890 R898E890-S894 WeakPolarHBondContact O-CB 3.38Å; E890-S894 PolarHBondContact O-N 2.94Å; E890-S894 PolarHBondContact O-OG 3.34Å; S894-R898 WeakPolarHBondContact O-CG 3.5Å
895A67.9Low68.8Low46 Ų4684 Ų8438%0.3843%0.432SS..Hα-helixtrans-78.5-29.2170.900000112.8E891 R892 F893 R898E891-A895 WeakPolarHBondContact O-CB 3.28Å; E891-A895 PolarHBondContact O-N 3.48Å; R892-A895 WeakPolarHBondContact O-CB 3.29Å; R892-A895 PolarHBondContact O-N 3.38Å; F893-A895 PolarHBondContact O-N 3.36Å; F893-A895 VanDerWaalsContact O-N 3.13Å; A895-R898 WeakPolarHBondContact O-CB 3.47Å; A895-R898 PolarHBondContact O-N 3.13Å
896L68.5Low68.4Low44 Ų4485.7 Ų85.723%0.2344%0.436CS..Hα-helixtrans-78.5-25.2171.9-65.4170.9000112.5F842 D845 A846 A849 R892 F893 R898F842-L896 HydrophobicContact CD2-CD2 4.03Å; F842-L896 HydrophobicContact CE2-CB 4.41Å; F842-L896 HydrophobicContact CE2-CD2 3.81Å; F842-L896 HydrophobicContact CZ-CD2 4.49Å; D845-L896 HydrophobicContact CB-CD2 4.31Å; A846-L896 HydrophobicContact CB-CD1 4.47Å; A846-L896 HydrophobicContact CB-CD2 4.02Å; A849-L896 HydrophobicContact CB-CD1 3.48Å; A849-L896 VanDerWaalsContact CB-CD1 3.48Å; R892-L896 PolarHBondContact O-N 3.1Å; F893-L896 WeakPolarHBondContact O-CA 3.42Å; F893-L896 WeakPolarHBondContact O-CB 3.49Å; F893-L896 PolarHBondContact O-N 3.15Å; L896-R898 PolarHBondContact O-N 2.85Å
897E64.7Low67.5Low155 Ų15589.3 Ų89.372%0.72445%0.449SS*.SBendtrans-75.2-8.4170.4-65.7179.7147.700113.4F893 L899F893-E897 PolarHBondContact O-N 3.24Å; E897-L899 PolarHBondContact O-N 3.01Å
898R66.8Low67.1Low184 Ų18492.5 Ų92.569%0.69445%0.452SS*.SBendtrans-74.4111.7172.3-70.5174.6-169.8178.64.1109.3S894 A895 L896 T900S894-R898 WeakPolarHBondContact O-CG 3.5Å; A895-R898 WeakPolarHBondContact O-CB 3.47Å; A895-R898 PolarHBondContact O-N 3.13Å; L896-R898 PolarHBondContact O-N 2.85Å; R898-T900 PolarHBondContact O-N 3.1Å
899L60.2Low66.8Low99 Ų9997.6 Ų97.652%0.51846%0.456SS..  trans-39.1122.7169.8-73.4155.4000111.1E897 E903 L904E897-L899 PolarHBondContact O-N 3.01Å; L899-E903 HydrophobicContact CB-CB 4.41Å; L899-E903 HydrophobicContact CD2-CB 3.71Å; L899-E903 HydrophobicContact CD2-CG 4.41Å; L899-L904 HydrophobicContact CB-CD2 4.37Å; L899-L904 HydrophobicContact CB-CG 4.14Å
900T63.3Low66.2Low33 Ų33103.4 Ų103.420%0.20248%0.477CS..  trans-63.6157.2175.260.50000110.4F842 R898 F902 E903 L904F842-T900 HydrophobicContact CD2-CG2 4.06Å; F842-T900 HydrophobicContact CG-CG2 4.27Å; R898-T900 PolarHBondContact O-N 3.1Å; T900-F902 PolarHBondContact O-N 2.79Å; T900-F902 VanDerWaalsContact O-N 3.11Å; T900-E903 WeakPolarHBondContact CB-OE2 3.28Å; T900-E903 PolarHBondContact N-OE2 2.9Å; T900-E903 PolarHBondContact O-N 2.78Å; T900-E903 WeakPolarHBondContact OG1-CG 3.5Å; T900-E903 PolarHBondContact OG1-OE2 3.29Å; T900-L904 PolarHBondContact O-N 2.8Å
901T62.1Low65.7Low59 Ų59103.1 Ų103.136%0.36248%0.476SS..Hα-helixtrans-62.3-22179.4-15.70000112.6E838 K905E838-T901 PolarHBondContact OE1-OG1 2.92Å; E838-T901 WeakPolarHBondContact OE2-CB 3.39Å; E838-T901 PolarHBondContact OE2-OG1 3.39Å; T901-K905 VanDerWaalsContact O-CB 3.31Å; T901-K905 WeakPolarHBondContact O-CB 3.39Å; T901-K905 WeakPolarHBondContact O-CG 3.4Å; T901-K905 PolarHBondContact O-N 3.46Å
902F66.1Low65.5Low103 Ų103100.5 Ų100.545%0.45246%0.464SS..Hα-helixtrans-64.2-50.9168-179.5-97.6000111.8L835 T900 K905 E906L835-F902 HydrophobicContact CD1-CD2 4.32Å; L835-F902 HydrophobicContact CD2-CB 4.31Å; L835-F902 HydrophobicContact CD2-CD2 3.97Å; T900-F902 PolarHBondContact O-N 2.79Å; T900-F902 VanDerWaalsContact O-N 3.11Å; F902-K905 CarbonylContact O-C 3.48Å; F902-K905 PolarHBondContact O-N 3.38Å; F902-E906 PolarHBondContact O-N 3.35Å
903E62.1Low65.5Low84 Ų8498.4 Ų98.439%0.39346%0.462SS..Hα-helixtrans-67.9-36.7179.8-64.7162.5121.800111.9L899 T900 E906 M907L899-E903 HydrophobicContact CB-CB 4.41Å; L899-E903 HydrophobicContact CD2-CB 3.71Å; L899-E903 HydrophobicContact CD2-CG 4.41Å; T900-E903 WeakPolarHBondContact CB-OE2 3.28Å; T900-E903 PolarHBondContact N-OE2 2.9Å; T900-E903 PolarHBondContact O-N 2.78Å; T900-E903 WeakPolarHBondContact OG1-CG 3.5Å; T900-E903 PolarHBondContact OG1-OE2 3.29Å; E903-E906 PolarHBondContact O-N 3.43Å; E903-M907 WeakPolarHBondContact O-CB 3.25Å; E903-M907 WeakPolarHBondContact O-CG 3.46Å; E903-M907 PolarHBondContact O-N 3.47Å
904L62.8Low65.3Low93 Ų9398.6 Ų98.649%0.48747%0.474SS..Hα-helixtrans-62.5-41.8170.8-74.4169.7000111.9L899 T900 K908L899-L904 HydrophobicContact CB-CD2 4.37Å; L899-L904 HydrophobicContact CB-CG 4.14Å; T900-L904 PolarHBondContact O-N 2.8Å; L904-K908 WeakPolarHBondContact O-CB 3.36Å; L904-K908 PolarHBondContact O-N 3.15Å
905K63.9Low65.1Low98 Ų98101 Ų10143%0.42648%0.479SS..Hα-helixtrans-70-35.9174.2-84.3-174.3169.9-1770112.3E831 T901 F902 K908 R909E831-K905 IonicContact OE2-NZ 2.64Å; E831-K905 PolarHBondContact OE2-NZ 2.84Å; T901-K905 VanDerWaalsContact O-CB 3.31Å; T901-K905 WeakPolarHBondContact O-CB 3.39Å; T901-K905 WeakPolarHBondContact O-CG 3.4Å; T901-K905 PolarHBondContact O-N 3.46Å; F902-K905 CarbonylContact O-C 3.48Å; F902-K905 PolarHBondContact O-N 3.38Å; K905-K908 PolarHBondContact O-N 2.92Å; K905-R909 VanDerWaalsContact O-CB 3.24Å; K905-R909 WeakPolarHBondContact O-CB 3.31Å; K905-R909 PolarHBondContact O-N 2.81Å
906E65.7Low65.1Low80 Ų80104.5 Ų104.537%0.37449%0.488SS..Hα-helixtrans-71-38.3176.3-170.2172163.200111.7F902 E903 R909 R910F902-E906 PolarHBondContact O-N 3.35Å; E903-E906 PolarHBondContact O-N 3.43Å; E906-R909 PolarHBondContact O-N 3.5Å; E906-R910 WeakPolarHBondContact O-CG 3.17Å; E906-R910 PolarHBondContact O-N 3.46Å; E906-R910 IonicContact OE1-CZ 3.81Å; E906-R910 IonicContact OE1-NE 3.79Å; E906-R910 IonicContact OE1-NH2 3.13Å; E906-R910 PolarHBondContact OE1-NH2 3.28Å; E906-R910 VanDerWaalsContact OE1-NH2 3.13Å
907M58.8Low65.2Low105 Ų105104.5 Ų104.552%0.51749%0.494SS..Hα-helixtrans-62.5-46.3169.8-80.9-71.2-75.800111.9E903 R909 R910 Q911E903-M907 WeakPolarHBondContact O-CB 3.25Å; E903-M907 WeakPolarHBondContact O-CG 3.46Å; E903-M907 PolarHBondContact O-N 3.47Å; M907-R909 PolarHBondContact O-N 2.87Å; M907-R910 PolarHBondContact O-N 2.78Å; M907-Q911 WeakPolarHBondContact O-CG 3.36Å; M907-Q911 PolarHBondContact O-N 3.47Å
908K64.9Low65.5Low128 Ų128103.1 Ų103.156%0.55749%0.488SS*.Hα-helixtrans-59-45.5172.7-101.3-168171-168.10112.1L904 K905 R910 Q911 E912L904-K908 WeakPolarHBondContact O-CB 3.36Å; L904-K908 PolarHBondContact O-N 3.15Å; K905-K908 PolarHBondContact O-N 2.92Å; K908-R910 VanDerWaalsContact C-N 3.29Å; K908-R910 PolarHBondContact O-N 2.83Å; K908-Q911 CarbonylContact O-C 3.42Å; K908-Q911 WeakPolarHBondContact O-CA 3.28Å; K908-Q911 WeakPolarHBondContact O-CB 3.41Å; K908-Q911 PolarHBondContact O-N 2.79Å; K908-E912 WeakPolarHBondContact O-CB 3.46Å; K908-E912 WeakPolarHBondContact O-CG 3.4Å; K908-E912 PolarHBondContact O-N 2.98Å
909R67.8Low65.8Low173 Ų173102 Ų10265%0.65348%0.484SS*.Hα-helixtrans-62.6-35.5177.9-170.6179.4-177.5-166.21.3111.9K905 E906 M907 L913K905-R909 VanDerWaalsContact O-CB 3.24Å; K905-R909 WeakPolarHBondContact O-CB 3.31Å; K905-R909 PolarHBondContact O-N 2.81Å; E906-R909 PolarHBondContact O-N 3.5Å; M907-R909 PolarHBondContact O-N 2.87Å; R909-L913 HydrophobicContact CG-CD1 4.17Å; R909-L913 VanDerWaalsContact O-CB 3.25Å; R909-L913 WeakPolarHBondContact O-CB 3.39Å; R909-L913 WeakPolarHBondContact O-CD1 3.47Å; R909-L913 WeakPolarHBondContact O-CG 3.16Å; R909-L913 PolarHBondContact O-N 2.77Å
910R63.8Low66.1Low157 Ų157103.3 Ų103.359%0.59249%0.487SS*.Hα-helixtrans-68.6-37.5171.3-76.3-178.6-175.3-176.87.3112.6E906 M907 K908 A914E906-R910 WeakPolarHBondContact O-CG 3.17Å; E906-R910 PolarHBondContact O-N 3.46Å; E906-R910 IonicContact OE1-CZ 3.81Å; E906-R910 IonicContact OE1-NE 3.79Å; E906-R910 IonicContact OE1-NH2 3.13Å; E906-R910 PolarHBondContact OE1-NH2 3.28Å; E906-R910 VanDerWaalsContact OE1-NH2 3.13Å; M907-R910 PolarHBondContact O-N 2.78Å; K908-R910 VanDerWaalsContact C-N 3.29Å; K908-R910 PolarHBondContact O-N 2.83Å; R910-A914 VanDerWaalsContact O-CB 3.25Å; R910-A914 WeakPolarHBondContact O-CB 3.4Å; R910-A914 PolarHBondContact O-N 2.84Å
911Q63.3Low66.6Low115 Ų115110.8 Ų110.854%0.53751%0.512SS..Hα-helixtrans-67.9-44.6174.1-74176.1-28.900111.9M907 K908 A914 E915M907-Q911 WeakPolarHBondContact O-CG 3.36Å; M907-Q911 PolarHBondContact O-N 3.47Å; K908-Q911 CarbonylContact O-C 3.42Å; K908-Q911 WeakPolarHBondContact O-CA 3.28Å; K908-Q911 WeakPolarHBondContact O-CB 3.41Å; K908-Q911 PolarHBondContact O-N 2.79Å; Q911-A914 CarbonylContact O-C 3.57Å; Q911-A914 PolarHBondContact O-N 2.93Å; Q911-E915 PolarHBondContact O-N 3.45Å
912E67.3Low67.1Low109 Ų109112 Ų11251%0.50952%0.515SS..Hα-helixtrans-64.4-43.1176.5-72.6165.9-178.300111K908 A914 E915 E916K908-E912 WeakPolarHBondContact O-CB 3.46Å; K908-E912 WeakPolarHBondContact O-CG 3.4Å; K908-E912 PolarHBondContact O-N 2.98Å; E912-A914 VanDerWaalsContact C-N 3.32Å; E912-A914 PolarHBondContact O-N 2.87Å; E912-E915 PolarHBondContact O-N 2.98Å; E912-E916 WeakPolarHBondContact O-CB 3.2Å; E912-E916 WeakPolarHBondContact O-CG 3.41Å; E912-E916 PolarHBondContact O-N 3Å
913L69.5Low67.3Low97 Ų97112.9 Ų112.951%0.50852%0.519SS..Hα-helixtrans-65.1-33.1172.3-74.3168.6000112.8R909 A917R909-L913 HydrophobicContact CG-CD1 4.17Å; R909-L913 VanDerWaalsContact O-CB 3.25Å; R909-L913 WeakPolarHBondContact O-CB 3.39Å; R909-L913 WeakPolarHBondContact O-CD1 3.47Å; R909-L913 WeakPolarHBondContact O-CG 3.16Å; R909-L913 PolarHBondContact O-N 2.77Å; L913-A917 VanDerWaalsContact O-CB 3.23Å; L913-A917 WeakPolarHBondContact O-CB 3.33Å; L913-A917 PolarHBondContact O-N 2.91Å
914A69.3Low67.5Low57 Ų57114.9 Ų114.947%0.47153%0.528SS..Hα-helixtrans-71.6-41.8174.200000111.8R910 Q911 E912 A917 E918R910-A914 VanDerWaalsContact O-CB 3.25Å; R910-A914 WeakPolarHBondContact O-CB 3.4Å; R910-A914 PolarHBondContact O-N 2.84Å; Q911-A914 CarbonylContact O-C 3.57Å; Q911-A914 PolarHBondContact O-N 2.93Å; E912-A914 VanDerWaalsContact C-N 3.32Å; E912-A914 PolarHBondContact O-N 2.87Å; A914-A917 PolarHBondContact O-N 3.42Å; A914-E918 WeakPolarHBondContact O-CB 3.26Å; A914-E918 PolarHBondContact O-N 3.48Å
915E69.3Low67.8Low101 Ų101115.8 Ų115.847%0.47253%0.53SS..Hα-helixtrans-66.2-38.7173.2-81-164.5-158.700112.3Q911 E912 E918 R919Q911-E915 PolarHBondContact O-N 3.45Å; E912-E915 PolarHBondContact O-N 2.98Å; E915-E918 PolarHBondContact O-N 3.34Å; E915-R919 WeakPolarHBondContact O-CB 3.45Å; E915-R919 WeakPolarHBondContact O-CG 3.49Å; E915-R919 PolarHBondContact O-N 3.44Å; E915-R919 IonicContact OE2-CZ 2.97Å; E915-R919 IonicContact OE2-NE 2.82Å; E915-R919 IonicContact OE2-NH2 3.94Å; E915-R919 PolarHBondContact OE2-NH2 3.09Å
916E66.9Low67.8Low120 Ų120117.2 Ų117.256%0.56154%0.538SS*.Hα-helixtrans-66.5-41174.2-77.5-171.5154.500111E912 R919 Q920E912-E916 WeakPolarHBondContact O-CB 3.2Å; E912-E916 WeakPolarHBondContact O-CG 3.41Å; E912-E916 PolarHBondContact O-N 3Å; E916-R919 PolarHBondContact O-N 2.99Å; E916-Q920 WeakPolarHBondContact O-CB 3.4Å; E916-Q920 WeakPolarHBondContact O-CG 3.31Å; E916-Q920 PolarHBondContact O-N 3.17Å
917A70.1Confident67.7Low45 Ų45118.7 Ų118.737%0.37255%0.545SS..Hα-helixtrans-65.2-36.6172.800000112.3L913 A914 Q920 R921L913-A917 VanDerWaalsContact O-CB 3.23Å; L913-A917 WeakPolarHBondContact O-CB 3.33Å; L913-A917 PolarHBondContact O-N 2.91Å; A914-A917 PolarHBondContact O-N 3.42Å; A917-Q920 PolarHBondContact O-N 3.24Å; A917-R921 WeakPolarHBondContact O-CG 3.47Å; A917-R921 PolarHBondContact O-N 3.01Å
918E71.2Confident68.2Low125 Ų125116.5 Ų116.558%0.58454%0.543SS*.Hα-helixtrans-71.8-40.9175.8-172.5160.6-154.100111.7A914 E915 Q920 R921 I922A914-E918 WeakPolarHBondContact O-CB 3.26Å; A914-E918 PolarHBondContact O-N 3.48Å; E915-E918 PolarHBondContact O-N 3.34Å; E918-Q920 VanDerWaalsContact C-N 3.33Å; E918-Q920 PolarHBondContact O-N 2.94Å; E918-R921 PolarHBondContact O-N 2.95Å; E918-I922 HydrophobicContact CG-CD1 4.12Å; E918-I922 WeakPolarHBondContact O-CB 3.43Å; E918-I922 VanDerWaalsContact O-CG1 3.26Å; E918-I922 WeakPolarHBondContact O-CG1 3.48Å; E918-I922 PolarHBondContact O-N 3.45Å
919R73Confident68.3Low162 Ų162116 Ų11661%0.61154%0.541SS*.Hα-helixtrans-63.2-37.4170.7-70.3169.3-156.1-129.49.1111.7E915 E916 K923E915-R919 WeakPolarHBondContact O-CB 3.45Å; E915-R919 WeakPolarHBondContact O-CG 3.49Å; E915-R919 PolarHBondContact O-N 3.44Å; E915-R919 IonicContact OE2-CZ 2.97Å; E915-R919 IonicContact OE2-NE 2.82Å; E915-R919 IonicContact OE2-NH2 3.94Å; E915-R919 PolarHBondContact OE2-NH2 3.09Å; E916-R919 PolarHBondContact O-N 2.99Å; R919-K923 VanDerWaalsContact O-CB 3.25Å; R919-K923 WeakPolarHBondContact O-CB 3.38Å; R919-K923 PolarHBondContact O-N 3.02Å
920Q66.1Low68.2Low126 Ų126110.3 Ų110.359%0.58953%0.531SS*.Hα-helixtrans-65.3-46.4172.3-81.8-179.3-21.100111.3E916 A917 E918 I922 K923 E924E916-Q920 WeakPolarHBondContact O-CB 3.4Å; E916-Q920 WeakPolarHBondContact O-CG 3.31Å; E916-Q920 PolarHBondContact O-N 3.17Å; A917-Q920 PolarHBondContact O-N 3.24Å; E918-Q920 VanDerWaalsContact C-N 3.33Å; E918-Q920 PolarHBondContact O-N 2.94Å; Q920-I922 PolarHBondContact O-N 2.82Å; Q920-K923 CarbonylContact O-C 3.55Å; Q920-K923 PolarHBondContact O-N 2.96Å; Q920-K923 VanDerWaalsContact O-N 3.15Å; Q920-E924 WeakPolarHBondContact O-CB 3.34Å; Q920-E924 WeakPolarHBondContact O-CG 3.45Å; Q920-E924 PolarHBondContact O-N 3.43Å
921R73.8Confident68Low190 Ų190105.8 Ų105.872%0.71753%0.527SS*.Hα-helixtrans-61.1-41.3174.9-73.5-178.476.7-1582.7112.7A917 E918 K923 E924 E925A917-R921 WeakPolarHBondContact O-CG 3.47Å; A917-R921 PolarHBondContact O-N 3.01Å; E918-R921 PolarHBondContact O-N 2.95Å; R921-K923 VanDerWaalsContact C-N 3.32Å; R921-K923 PolarHBondContact O-N 3.03Å; R921-E924 PolarHBondContact O-N 3.29Å; R921-E925 VanDerWaalsContact O-CB 3.27Å; R921-E925 WeakPolarHBondContact O-CB 3.31Å; R921-E925 PolarHBondContact O-N 3.29Å
922I73.1Confident67.9Low83 Ų83103.7 Ų103.743%0.42653%0.525SS..Hα-helixtrans-63.7-40.3175.2-69.7164.8000110.6E918 Q920 E925 Q926E918-I922 HydrophobicContact CG-CD1 4.12Å; E918-I922 WeakPolarHBondContact O-CB 3.43Å; E918-I922 VanDerWaalsContact O-CG1 3.26Å; E918-I922 WeakPolarHBondContact O-CG1 3.48Å; E918-I922 PolarHBondContact O-N 3.45Å; Q920-I922 PolarHBondContact O-N 2.82Å; I922-E925 PolarHBondContact O-N 3.36Å; I922-Q926 WeakPolarHBondContact O-CB 3.36Å; I922-Q926 VanDerWaalsContact O-CG 3.28Å; I922-Q926 WeakPolarHBondContact O-CG 3.33Å; I922-Q926 PolarHBondContact O-N 2.69Å
923K70.1Confident67.7Low123 Ų123104.7 Ų104.754%0.53553%0.53SS..Hα-helixtrans-70-41.9178-166.4-180-179.8-160.50112.2R919 Q920 R921 E925 Q926 E927R919-K923 VanDerWaalsContact O-CB 3.25Å; R919-K923 WeakPolarHBondContact O-CB 3.38Å; R919-K923 PolarHBondContact O-N 3.02Å; Q920-K923 CarbonylContact O-C 3.55Å; Q920-K923 PolarHBondContact O-N 2.96Å; Q920-K923 VanDerWaalsContact O-N 3.15Å; R921-K923 VanDerWaalsContact C-N 3.32Å; R921-K923 PolarHBondContact O-N 3.03Å; K923-E925 VanDerWaalsContact C-N 3.35Å; K923-Q926 PolarHBondContact O-N 2.58Å; K923-E927 WeakPolarHBondContact CE-OE1 3.47Å; K923-E927 IonicContact NZ-OE1 3.7Å; K923-E927 WeakPolarHBondContact O-CB 3.27Å; K923-E927 WeakPolarHBondContact O-CG 3.3Å; K923-E927 PolarHBondContact O-N 2.99Å
924E66.8Low67.2Low125 Ų125102.8 Ų102.858%0.58453%0.528SS*.Hα-helixtrans-64.8-36.3172.8-73.5178166.600111.8Q920 R921 A928Q920-E924 WeakPolarHBondContact O-CB 3.34Å; Q920-E924 WeakPolarHBondContact O-CG 3.45Å; Q920-E924 PolarHBondContact O-N 3.43Å; R921-E924 PolarHBondContact O-N 3.29Å; E924-A928 WeakPolarHBondContact O-CB 3.48Å; E924-A928 PolarHBondContact O-N 3.49Å
925E68.4Low66.5Low113 Ų113103.1 Ų103.153%0.52853%0.531SS..Hα-helixtrans-72.1-33.6175.7-162.5-172.2154.200112R921 I922 K923 K929R921-E925 VanDerWaalsContact O-CB 3.27Å; R921-E925 WeakPolarHBondContact O-CB 3.31Å; R921-E925 PolarHBondContact O-N 3.29Å; I922-E925 PolarHBondContact O-N 3.36Å; K923-E925 VanDerWaalsContact C-N 3.35Å; E925-K929 WeakPolarHBondContact O-CB 3.38Å; E925-K929 WeakPolarHBondContact O-CG 3.41Å; E925-K929 PolarHBondContact O-N 3.2Å; E925-K929 IonicContact OE1-NZ 3.1Å; E925-K929 PolarHBondContact OE1-NZ 2.72Å
926Q65.4Low66Low128 Ų128103 Ų10360%0.59853%0.531SS*.Hα-helixtrans-70.1-43.4171-75.7176.5-1.700112I922 K923 K929 A930I922-Q926 WeakPolarHBondContact O-CB 3.36Å; I922-Q926 VanDerWaalsContact O-CG 3.28Å; I922-Q926 WeakPolarHBondContact O-CG 3.33Å; I922-Q926 PolarHBondContact O-N 2.69Å; K923-Q926 PolarHBondContact O-N 2.58Å; Q926-K929 PolarHBondContact O-N 3.46Å; Q926-A930 WeakPolarHBondContact O-CB 3.42Å; Q926-A930 PolarHBondContact O-N 3.26Å
927E64Low65.4Low111 Ų111103.3 Ų103.352%0.51953%0.532SS..Hα-helixtrans-68.3-34.5175.9-73.9175.6-17300111.5K923 A931K923-E927 WeakPolarHBondContact CE-OE1 3.47Å; K923-E927 IonicContact NZ-OE1 3.7Å; K923-E927 WeakPolarHBondContact O-CB 3.27Å; K923-E927 WeakPolarHBondContact O-CG 3.3Å; K923-E927 PolarHBondContact O-N 2.99Å; E927-A931 WeakPolarHBondContact O-CB 3.38Å; E927-A931 PolarHBondContact O-N 3.38Å
928A67.3Low64.7Low59 Ų59104.1 Ų104.149%0.48854%0.539SS..Hα-helixtrans-71-37.6173.500000113E924 S932E924-A928 WeakPolarHBondContact O-CB 3.48Å; E924-A928 PolarHBondContact O-N 3.49Å; A928-S932 WeakPolarHBondContact O-CB 3.42Å; A928-S932 PolarHBondContact O-N 3.33Å
929K68.1Low63.8Low116 Ų116105 Ų10550%0.50454%0.54SS..Hα-helixtrans-64.7-47.6170.5-83.6169.8175.4146.90111.1E925 Q926 A931 S932 E933E925-K929 WeakPolarHBondContact O-CB 3.38Å; E925-K929 WeakPolarHBondContact O-CG 3.41Å; E925-K929 PolarHBondContact O-N 3.2Å; E925-K929 IonicContact OE1-NZ 3.1Å; E925-K929 PolarHBondContact OE1-NZ 2.72Å; Q926-K929 PolarHBondContact O-N 3.46Å; K929-A931 VanDerWaalsContact C-N 3.32Å; K929-A931 PolarHBondContact O-N 3.01Å; K929-S932 PolarHBondContact O-N 2.96Å; K929-E933 WeakPolarHBondContact O-CB 3.37Å; K929-E933 WeakPolarHBondContact O-CG 3.42Å; K929-E933 PolarHBondContact O-N 2.99Å
930A64.6Low62.9Low55 Ų55105.8 Ų105.846%0.45554%0.543SS..Hα-helixtrans-60.9-37.917600000112.7Q926 A934Q926-A930 WeakPolarHBondContact O-CB 3.42Å; Q926-A930 PolarHBondContact O-N 3.26Å; A930-A934 WeakPolarHBondContact O-CB 3.38Å; A930-A934 PolarHBondContact O-N 3.37Å
931A60.4Low62.1Low61 Ų61107.1 Ų107.150%0.50455%0.549SS..Hα-helixtrans-70.8-36.4174.900000112.9E927 K929 A935E927-A931 WeakPolarHBondContact O-CB 3.38Å; E927-A931 PolarHBondContact O-N 3.38Å; K929-A931 VanDerWaalsContact C-N 3.32Å; K929-A931 PolarHBondContact O-N 3.01Å; A931-A935 WeakPolarHBondContact O-CB 3.41Å; A931-A935 PolarHBondContact O-N 3.21Å
932S62.3Low61Low71 Ų71101.9 Ų101.950%0.49755%0.547SS..Hα-helixtrans-68.5-42.3174.4-1680000111.6A928 K929 A935 E936A928-S932 WeakPolarHBondContact O-CB 3.42Å; A928-S932 PolarHBondContact O-N 3.33Å; K929-S932 PolarHBondContact O-N 2.96Å; S932-A935 PolarHBondContact O-N 2.96Å; S932-E936 WeakPolarHBondContact O-CB 3.34Å; S932-E936 PolarHBondContact O-N 2.64Å
933E63.3Low59.9Low131 Ų131105.3 Ų105.361%0.61256%0.561SS**Hα-helixtrans-64.8-46.3175.5-72.8174.5163.100110.6K929 A935 E936 Q937K929-E933 WeakPolarHBondContact O-CB 3.37Å; K929-E933 WeakPolarHBondContact O-CG 3.42Å; K929-E933 PolarHBondContact O-N 2.99Å; E933-A935 PolarHBondContact O-N 3.29Å; E933-E936 PolarHBondContact O-N 3.11Å; E933-Q937 WeakPolarHBondContact O-CB 3.32Å; E933-Q937 PolarHBondContact O-N 3.28Å
934A57.1Low58.5Low57 Ų57110 Ų11047%0.47158%0.576SS.*Hα-helixtrans-62.4-38.4175.300000113.3A930 A938A930-A934 WeakPolarHBondContact O-CB 3.38Å; A930-A934 PolarHBondContact O-N 3.37Å; A934-A938 VanDerWaalsContact O-CB 3.31Å; A934-A938 WeakPolarHBondContact O-CB 3.36Å; A934-A938 PolarHBondContact O-N 3.2Å
935A55.8Low57.3Low63 Ų63111.6 Ų111.652%0.52158%0.576SS.*Hα-helixtrans-71.5-35.6177.400000112.9A931 S932 E933 K939A931-A935 WeakPolarHBondContact O-CB 3.41Å; A931-A935 PolarHBondContact O-N 3.21Å; S932-A935 PolarHBondContact O-N 2.96Å; E933-A935 PolarHBondContact O-N 3.29Å; A935-K939 WeakPolarHBondContact O-CB 3.37Å; A935-K939 PolarHBondContact O-N 3.47Å
936E57.9Low55.8Low100 Ų100114.5 Ų114.547%0.46760%0.595SS.*Hα-helixtrans-76.5-30.1176.2-164.2165.8167.700112.1S932 E933 R940S932-E936 WeakPolarHBondContact O-CB 3.34Å; S932-E936 PolarHBondContact O-N 2.64Å; E933-E936 PolarHBondContact O-N 3.11Å; E936-R940 WeakPolarHBondContact O-CB 3.33Å; E936-R940 VanDerWaalsContact O-CG 3.28Å; E936-R940 WeakPolarHBondContact O-CG 3.26Å; E936-R940 PolarHBondContact O-N 3.17Å; E936-R940 VanDerWaalsContact O-N 3.1Å; E936-R940 IonicContact OE1-CZ 3.83Å; E936-R940 IonicContact OE1-NE 2.62Å; E936-R940 IonicContact OE1-NH2 2.8Å; E936-R940 PolarHBondContact OE1-NH2 2.77Å
937Q54.7Low54.1Low126 Ų126115 Ų11559%0.58960%0.602SS**Hα-helixtrans-69.1-47.6172.5-163.1159-2.200111.2E933 K939 R940 E941E933-Q937 WeakPolarHBondContact O-CB 3.32Å; E933-Q937 PolarHBondContact O-N 3.28Å; Q937-K939 VanDerWaalsContact C-N 3.26Å; Q937-K939 PolarHBondContact O-N 3.08Å; Q937-R940 PolarHBondContact O-N 2.98Å; Q937-E941 PolarHBondContact O-N 2.92Å
938A54.9Low52.5Low62 Ų62114.5 Ų114.551%0.51261%0.607SS.*Hα-helixtrans-63.5-26.2175.100000114.1A934A934-A938 VanDerWaalsContact O-CB 3.31Å; A934-A938 WeakPolarHBondContact O-CB 3.36Å; A934-A938 PolarHBondContact O-N 3.2Å
939K52.2Low50.5Low143 Ų143117 Ų11762%0.62261%0.612SS**Hα-helixtrans-84.5-27.9176.5-161.1174.3-176.7-177.30113.1A935 Q937A935-K939 WeakPolarHBondContact O-CB 3.37Å; A935-K939 PolarHBondContact O-N 3.47Å; Q937-K939 VanDerWaalsContact C-N 3.26Å; Q937-K939 PolarHBondContact O-N 3.08Å
940R54.6Low48.7Very low178 Ų178117 Ų11767%0.67262%0.621SS**Hα-helixtrans-75.9-25.7174.1-73.4174.5-174.4-165.65.7112.8E936 Q937 A942E936-R940 WeakPolarHBondContact O-CB 3.33Å; E936-R940 VanDerWaalsContact O-CG 3.28Å; E936-R940 WeakPolarHBondContact O-CG 3.26Å; E936-R940 PolarHBondContact O-N 3.17Å; E936-R940 VanDerWaalsContact O-N 3.1Å; E936-R940 IonicContact OE1-CZ 3.83Å; E936-R940 IonicContact OE1-NE 2.62Å; E936-R940 IonicContact OE1-NH2 2.8Å; E936-R940 PolarHBondContact OE1-NH2 2.77Å; Q937-R940 PolarHBondContact O-N 2.98Å; R940-A942 VanDerWaalsContact C-N 3.27Å; R940-A942 PolarHBondContact O-N 2.64Å
941E49.8Very low46.8Very low154 Ų154117.7 Ų117.772%0.7263%0.633SS**THydrogen-bonded Turntrans-75.6-6.5175.1-73179.9157.300114.6Q937Q937-E941 PolarHBondContact O-N 2.92Å
942A50.6Low45.3Very low80 Ų80119.8 Ų119.866%0.66165%0.65SS**THydrogen-bonded Turntrans-105.7-13.9-17400000116.1R940R940-A942 VanDerWaalsContact C-N 3.27Å; R940-A942 PolarHBondContact O-N 2.64Å
943E50.2Low43.6Very low155 Ų155121.8 Ų121.872%0.72467%0.665SS**SBendtrans-126.54.9-165.5-71.9-172.5162.300116.3
944R41.1Very low42Very low223 Ų223124.7 Ų124.784%0.84268%0.678SS**SBendtrans-147.9143.6168.6-62.4-172.3-175.7-155-0.3111.3
945R41.7Very low40.5Very low157 Ų157128.1 Ų128.159%0.59269%0.688SS**  trans82.298.9171.5-48.6-169.8158.3164.2-15.1114.6D947 V948 D949R945-D947 WeakPolarHBondContact CG-O 3.25Å; R945-V948 PolarHBondContact NE-O 3.47Å; R945-V948 PolarHBondContact NH2-O 2.81Å; R945-D949 PolarHBondContact NH1-O 2.74Å; R945-D949 PolarHBondContact NH2-O 3.06Å
946D35.5Very low39.2Very low174 Ų174132.7 Ų132.793%0.9370%0.704SS**SBendcis10.699.64.2-93.8-4.8000117.5
947D30Very low37.8Very low139 Ų139131.6 Ų131.674%0.74371%0.707SS**SBendtrans7795.6-171.3-98-48000118.9R945R945-D947 WeakPolarHBondContact CG-O 3.25Å
948V30.9Very low36.5Very low101 Ų101132 Ų13261%0.61271%0.709SS**  trans70.691.5131.6173.50000118.1R945R945-V948 PolarHBondContact NE-O 3.47Å; R945-V948 PolarHBondContact NH2-O 2.81Å
949D25.6Very low35.2Very low112 Ų112138.7 Ų138.760%0.59972%0.721SS**  90147.6106.3-158.827.1000121.5R945R945-D949 PolarHBondContact NH1-O 2.74Å; R945-D949 PolarHBondContact NH2-O 3.06Å
950V28.8Very low34.1Very low116 Ų116135.6 Ų135.670%0.70373%0.73SS**  trans57.9127.8173.5-149.30000116.8
951G26.5Very low32.8Very low68 Ų68130.9 Ų130.970%0.70174%0.737SS**  cis164.1-166.6-9.100000114
952A27.4Very low31.8Very low105 Ų105130 Ų13087%0.86874%0.742SS**  trans6696.7167.500000118.5
953S27.2Very low31.4Very low114 Ų114131.9 Ų131.980%0.79775%0.747SS**  -156.9155.8106.252.20000111.2
954H29.1Very low30.4Very low192 Ų192127.9 Ų127.989%0.88975%0.748SS**SBendtrans64.176179-7412.6000116.6
955D27Very low30.2Very low128 Ų128122.8 Ų122.868%0.68475%0.753SS**  -138.6146.3100.2-162.218.6000109.1S957D955-S957 PolarHBondContact OD1-N 2.89Å; D955-S957 WeakPolarHBondContact OD2-CB 3.37Å; D955-S957 PolarHBondContact OD2-OG 3.36Å
956D26.9Very low30.3Very low160 Ų160118.4 Ų118.486%0.85676%0.757SS**  trans-137.281.9152.4-160.212.4000106.9
957S28.8Very low31.2Very low76 Ų76118.6 Ų118.653%0.53175%0.753SS.*  trans-92.3125.2175.549.50000109.9D955D955-S957 PolarHBondContact OD1-N 2.89Å; D955-S957 WeakPolarHBondContact OD2-CB 3.37Å; D955-S957 PolarHBondContact OD2-OG 3.36Å
958E28.1Very low32.9Very low135 Ų135113.4 Ų113.463%0.63173%0.732SS**  trans-135.5138.5148.7-70.3-155.4174.600109.2
959R27.4Very low35.4Very low202 Ų202111 Ų11176%0.76271%0.714SS**  cis-159.6147.8-13.2-108.1166.6-175.914010103.5
960G29.4Very low38.4Very low79 Ų79109.2 Ų109.281%0.81470%0.702SS**  cis89.576.732.200000109.9
961G26.9Very low41.2Very low79 Ų79104.3 Ų104.381%0.81468%0.675SS**  trans-172.188.3-174.500000115.3
962T29.2Very low44.2Very low136 Ų136105.9 Ų105.983%0.83466%0.66SS**  trans-62.2177.4169.737.40000114.4
963P41.4Very low47.1Very low118 Ų118101.1 Ų101.177%0.76662%0.62SS**  cis-130.3122.1-34.431-12.9000112.1A965P963-A965 PolarHBondContact O-N 3.24Å
964G28.6Very low50.2Low72 Ų7297.4 Ų97.474%0.74259%0.593SS**  trans-89.3104.9179.100000113.7G966G964-G966 PolarHBondContact O-N 2.89Å; G964-G966 VanDerWaalsContact O-N 3.14Å
965A37.4Very low53.1Low115 Ų11588.7 Ų88.795%0.9555%0.552SS**THydrogen-bonded Turntrans-67.9107.8168.700000110.3P963P963-A965 PolarHBondContact O-N 3.24Å
966G45.2Very low56.1Low65 Ų6584.1 Ų84.167%0.6753%0.526SS*.THydrogen-bonded Turntrans146.15.7173.900000118.1G964G964-G966 PolarHBondContact O-N 2.89Å; G964-G966 VanDerWaalsContact O-N 3.14Å
967E53.9Low59.1Low179 Ų17977.1 Ų77.184%0.83649%0.489SS*.  trans-83.9131.2179.2-63.7-162.7141.700112.9
968G64.3Low61.8Low30 Ų3075.9 Ų75.931%0.30947%0.474SS..  trans-85166.9178.200000112.4A998G968-A998 CarbonylContact C-O 3.6Å; G968-A998 WeakPolarHBondContact CA-O 3.45Å
969H83.6Confident64.4Low49 Ų4973 Ų7323%0.22746%0.458CS..EExtended strand (participates in β ladder)trans-109.6127.5-178.9-171.649.4000109.8A998 W1069 S1072H969-A998 PolarHBondContact N-O 3.17Å; H969-A998 PolarHBondContact O-N 3.4Å; H969-W1069 HydrophobicContact CB-CZ3 4.18Å; H969-W1069 AromaticContact CD2-CD2 3.62Å; H969-W1069 AromaticContact CD2-CE3 3.22Å; H969-W1069 AromaticContact CD2-CH2 3.86Å; H969-W1069 AromaticContact CD2-CZ3 3.32Å; H969-W1069 WeakPolarHBondContact CD2-CZ3 3.43Å; H969-W1069 AromaticContact CG-CZ3 3.85Å; H969-W1069 AromaticContact NE2-CD2 3.67Å; H969-W1069 AromaticContact NE2-CE2 3.89Å; H969-W1069 AromaticContact NE2-CE3 3.81Å; H969-S1072 WeakPolarHBondContact CB-OG 3.48Å
970E88.8Confident66.9Low76 Ų7665.7 Ų65.736%0.35543%0.433SS..EExtended strand (participates in β ladder)trans-134.2141.3-17461.3178.6-130.800112.1Y995 M996 A997 Y1012E970-Y995 HydrophobicContact CB-CE1 4.17Å; E970-Y995 WeakPolarHBondContact CG-OH 3.42Å; E970-Y995 PolarHBondContact OE1-OH 3.48Å; E970-Y995 VanDerWaalsContact OE1-OH 3.05Å; E970-M996 VanDerWaalsContact CA-O 3.27Å; E970-M996 WeakPolarHBondContact CA-O 3.45Å; E970-A997 HydrophobicContact CB-CB 4.17Å; E970-Y1012 WeakPolarHBondContact OE2-CE1 3.25Å; E970-Y1012 VanDerWaalsContact OE2-CZ 3.3Å; E970-Y1012 PolarHBondContact OE2-OH 2.99Å
971G88.2Confident69.2Low13 Ų1363.6 Ų63.613%0.13441%0.406CS..EExtended strand (participates in β ladder)trans177.4176.9-176.500000114Y995 M996G971-Y995 WeakPolarHBondContact O-CD2 3.08Å; G971-M996 PolarHBondContact N-O 3.38Å; G971-M996 PolarHBondContact O-N 3.39Å
972Y88.8Confident71.5Confident101 Ų10164.8 Ų64.840%0.39640%0.398SS..EExtended strand (participates in β ladder)trans-90124.7178.9-76.3-79.8000111.2Y995 D1008 Q1009Y972-Y995 AromaticContact CD1-CD2 3.9Å; Y972-Y995 HydrophobicContact CD1-CD2 3.9Å; Y972-Y995 AromaticContact CD2-CD2 3.78Å; Y972-Y995 HydrophobicContact CD2-CD2 3.78Å; Y972-Y995 HydrophobicContact CD2-CE2 4.1Å; Y972-Y995 AromaticContact CE1-CD2 3.84Å; Y972-Y995 HydrophobicContact CE1-CD2 3.84Å; Y972-Y995 HydrophobicContact CE1-CG 4.37Å; Y972-Y995 AromaticContact CE2-CD2 3.71Å; Y972-Y995 HydrophobicContact CE2-CD2 3.71Å; Y972-Y995 HydrophobicContact CE2-CE2 4.02Å; Y972-Y995 AromaticContact CG-CD2 3.87Å; Y972-Y995 HydrophobicContact CG-CD2 3.87Å; Y972-Y995 AromaticContact CZ-CD2 3.75Å; Y972-D1008 HydrophobicContact CE1-CB 4.47Å; Y972-Q1009 HydrophobicContact CE2-CB 4.27Å; Y972-Q1009 WeakPolarHBondContact OH-CB 3.48Å; Y972-Q1009 PolarHBondContact OH-N 3.25Å
973V89.6Confident73.7Confident4 Ų464.4 Ų64.42%0.02440%0.396CS..EExtended strand (participates in β ladder)trans-127.3150.2175.9-64.70000110.1V994 M996 L1058 W1069V973-V994 HydrophobicContact CG2-CG2 4.05Å; V973-V994 PolarHBondContact N-O 3.09Å; V973-V994 PolarHBondContact O-N 3.18Å; V973-V994 VanDerWaalsContact O-O 3.05Å; V973-M996 HydrophobicContact CG1-CE 4.27Å; V973-M996 HydrophobicContact CG2-CB 3.64Å; V973-M996 HydrophobicContact CG2-CE 4.47Å; V973-M996 HydrophobicContact CG2-SD 4.19Å; V973-L1058 HydrophobicContact CG2-CD2 3.99Å; V973-W1069 HydrophobicContact CG1-CZ2 4.07Å
974T90.8Very high75.5Confident37 Ų3764.4 Ų64.423%0.22738%0.384CS..EExtended strand (participates in β ladder)trans-93.7112.7168.5-48.20000108W991 Q1059T974-W991 HydrophobicContact CG2-CB 4.05Å; T974-W991 HydrophobicContact CG2-CE3 4.06Å; T974-W991 VanDerWaalsContact O-CZ3 3.25Å; T974-W991 WeakPolarHBondContact O-CZ3 3.43Å; T974-Q1059 PolarHBondContact N-O 2.92Å; T974-Q1059 VanDerWaalsContact N-O 3.15Å; T974-Q1059 PolarHBondContact O-N 3.35Å
975R91.2Very high77.9Confident8 Ų866.6 Ų66.63%0.0337%0.373CS..EExtended strand (participates in β ladder)trans-103.8141.8-173.1-179.5-170.481143.8-0.8111.5W991 D992 V994 F1005 E1023 F1056 L1057 L1058R975-W991 CarbonylContact O-C 3.56Å; R975-W991 WeakPolarHBondContact O-CA 3.27Å; R975-D992 PolarHBondContact N-O 3.18Å; R975-D992 PolarHBondContact O-N 3.19Å; R975-V994 HydrophobicContact CB-CG2 3.78Å; R975-F1005 VanDerWaalsContact CD-CE1 3.48Å; R975-F1005 HydrophobicContact CG-CE1 4.32Å; R975-F1005 HydrophobicContact CG-CZ 4.46Å; R975-E1023 IonicContact CZ-OE1 3.51Å; R975-E1023 IonicContact CZ-OE2 3.86Å; R975-E1023 VanDerWaalsContact CZ-OE2 3.26Å; R975-E1023 IonicContact NH1-OE1 3.37Å; R975-E1023 IonicContact NH1-OE2 2.75Å; R975-E1023 PolarHBondContact NH1-OE2 3.37Å; R975-E1023 VanDerWaalsContact NH2-CD 3.33Å; R975-E1023 IonicContact NH2-OE1 3.63Å; R975-E1023 PolarHBondContact NH2-OE1 2.86Å; R975-E1023 IonicContact NH2-OE2 2.85Å; R975-E1023 PolarHBondContact NH2-OE2 3.41Å; R975-E1023 VanDerWaalsContact NH2-OE2 3.09Å; R975-F1056 HydrophobicContact CG-CD1 4.32Å; R975-L1057 CarbonylContact C-O 3.59Å; R975-L1057 WeakPolarHBondContact CA-O 3.41Å; R975-L1058 HydrophobicContact CB-CD2 3.63Å; R975-L1058 HydrophobicContact CG-CD2 3.58Å
976K90.4Very high79.9Confident33 Ų3361.3 Ų61.314%0.14333%0.329CS..EExtended strand (participates in β ladder)trans-120.4121.7160.1-176.4-172.9-175.6-158.80109.8E978 R989 S990 W991 F1056 L1057K976-E978 HydrophobicContact CD-CG 4.23Å; K976-E978 WeakPolarHBondContact CE-OE1 3.36Å; K976-E978 HydrophobicContact CG-CG 4.36Å; K976-E978 IonicContact NZ-OE1 2.66Å; K976-E978 PolarHBondContact NZ-OE1 2.95Å; K976-R989 WeakPolarHBondContact CE-O 3.39Å; K976-R989 WeakPolarHBondContact CG-O 3.39Å; K976-S990 WeakPolarHBondContact CA-O 3.29Å; K976-W991 HydrophobicContact CB-CD2 3.65Å; K976-W991 HydrophobicContact CB-CE3 3.66Å; K976-W991 HydrophobicContact CB-CG 4.24Å; K976-W991 HydrophobicContact CB-CH2 4.11Å; K976-W991 HydrophobicContact CB-CZ2 4.08Å; K976-W991 HydrophobicContact CB-CZ3 3.89Å; K976-W991 HydrophobicContact CD-CD2 4.48Å; K976-W991 HydrophobicContact CD-CZ2 4.22Å; K976-F1056 WeakPolarHBondContact O-CA 3.2Å; K976-L1057 HydrophobicContact CB-CB 4.42Å; K976-L1057 PolarHBondContact N-O 2.94Å; K976-L1057 PolarHBondContact O-N 3.31Å
977H89.6Confident81.3Confident13 Ų1364 Ų646%0.0634%0.337CS..EExtended strand (participates in β ladder)trans-84.2124.9170.3-165.6-174.6000107.7W979 D980 A986 R989 F1056H977-W979 PolarHBondContact CD2-O 3.44Å; H977-W979 PolarHBondContact NE2-O 2.97Å; H977-D980 IonicContact CE1-OD1 3.2Å; H977-D980 PolarHBondContact CE1-OD1 3.13Å; H977-D980 IonicContact ND1-OD1 3.44Å; H977-D980 IonicContact NE2-OD1 2.69Å; H977-A986 HydrophobicContact CB-CB 4.14Å; H977-R989 WeakPolarHBondContact O-CA 3.11Å; H977-R989 WeakPolarHBondContact O-CG 3.06Å; H977-F1056 HydrophobicContact CB-CD1 4.1Å; H977-F1056 HydrophobicContact CB-CE1 4.16Å; H977-F1056 AromaticContact CD2-CD1 3.56Å; H977-F1056 AromaticContact CD2-CE1 3.16Å; H977-F1056 WeakPolarHBondContact CD2-CE1 3.43Å; H977-F1056 AromaticContact CD2-CZ 3.8Å; H977-F1056 AromaticContact CE1-CE1 3.92Å; H977-F1056 AromaticContact CG-CD1 3.91Å; H977-F1056 AromaticContact CG-CE1 3.54Å; H977-F1056 AromaticContact ND1-CE1 3.97Å; H977-F1056 AromaticContact NE2-CE1 3.43Å; H977-F1056 WeakPolarHBondContact NE2-CE1 3.42Å; H977-F1056 AromaticContact NE2-CZ 3.64Å
978E85.1Confident82.1Confident49 Ų4958.5 Ų58.523%0.22931%0.314CS..EExtended strand (participates in β ladder)trans-105.8-38.1179.4-67.5-138.1140.500113.1K976 A986 R989 L1055 L1057K976-E978 HydrophobicContact CD-CG 4.23Å; K976-E978 WeakPolarHBondContact CE-OE1 3.36Å; K976-E978 HydrophobicContact CG-CG 4.36Å; K976-E978 IonicContact NZ-OE1 2.66Å; K976-E978 PolarHBondContact NZ-OE1 2.95Å; E978-A986 PolarHBondContact O-N 3.31Å; E978-R989 WeakPolarHBondContact O-CD 3.18Å; E978-L1055 HydrophobicContact CB-CD2 3.92Å; E978-L1055 HydrophobicContact CG-CD2 4.14Å; E978-L1055 PolarHBondContact N-O 3.36Å; E978-L1057 HydrophobicContact CG-CD1 4.34Å; E978-L1057 HydrophobicContact CG-CG 4.49Å
979W83.3Confident83Confident76 Ų7663 Ų6329%0.28832%0.322SS..EExtended strand (participates in β ladder)trans-139.4130.7-175.2-64.685.1000110.6H977 K984 K985 A1054 L1055H977-W979 PolarHBondContact CD2-O 3.44Å; H977-W979 PolarHBondContact NE2-O 2.97Å; W979-K984 CarbonylContact C-O 3.57Å; W979-K984 WeakPolarHBondContact CA-O 3.21Å; W979-K985 HydrophobicContact CD2-CG 3.85Å; W979-K985 HydrophobicContact CE3-CB 4.43Å; W979-K985 HydrophobicContact CE3-CG 3.68Å; W979-K985 HydrophobicContact CH2-CD 4.18Å; W979-K985 HydrophobicContact CH2-CG 3.65Å; W979-K985 HydrophobicContact CZ2-CD 4.23Å; W979-K985 HydrophobicContact CZ2-CG 3.8Å; W979-K985 HydrophobicContact CZ3-CG 3.58Å; W979-A1054 CarbonylContact O-C 3.56Å; W979-A1054 WeakPolarHBondContact O-CA 3.4Å; W979-L1055 HydrophobicContact CB-CB 4.13Å; W979-L1055 HydrophobicContact CG-CB 4.45Å; W979-L1055 PolarHBondContact N-O 3.13Å; W979-L1055 PolarHBondContact O-N 2.83Å
980D79.1Confident82.9Confident47 Ų4763 Ų6325%0.25133%0.327SS..EExtended strand (participates in β ladder)trans-75.5-29.5171.3-70.3-25.1000111.1H977 K984H977-D980 IonicContact CE1-OD1 3.2Å; H977-D980 PolarHBondContact CE1-OD1 3.13Å; H977-D980 IonicContact ND1-OD1 3.44Å; H977-D980 IonicContact NE2-OD1 2.69Å; D980-K984 HydrophobicContact CB-CB 4.47Å; D980-K984 HydrophobicContact CB-CD 4.24Å; D980-K984 HydrophobicContact CB-CG 4.47Å; D980-K984 PolarHBondContact N-O 3.4Å; D980-K984 WeakPolarHBondContact OD2-CE 3.21Å; D980-K984 IonicContact OD2-NZ 3.68Å; D980-K984 PolarHBondContact OD2-NZ 3.37Å
981S78.5Confident82.9Confident35 Ų3562.5 Ų62.525%0.24532%0.322CS..EExtended strand (participates in β ladder)trans-163172.4179.269.90000110.3T983 K984 G1053S981-T983 PolarHBondContact O-N 3.46Å; S981-K984 PolarHBondContact N-O 3.38Å; S981-K984 PolarHBondContact O-N 3.14Å; S981-K984 VanDerWaalsContact O-N 3.1Å; S981-G1053 CarbonylContact C-O 3.59Å
982T73.7Confident83Confident104 Ų10463.3 Ų63.364%0.63832%0.323SS*.THydrogen-bonded Turntrans-50.6-28.2-177-48.80000114.6G1053T982-G1053 WeakPolarHBondContact OG1-CA 3.34Å
983T76Confident83.1Confident129 Ų12965.6 Ų65.679%0.79134%0.335SS*.THydrogen-bonded Turntrans-113.1-9.7-17754.40000114.3S981S981-T983 PolarHBondContact O-N 3.46Å
984K78.8Confident83.1Confident118 Ų11865.4 Ų65.451%0.51333%0.334SS..EExtended strand (participates in β ladder)trans-120.7115.1-174.5-169.8-172.9175.8-136.40111.6W979 D980 S981W979-K984 CarbonylContact C-O 3.57Å; W979-K984 WeakPolarHBondContact CA-O 3.21Å; D980-K984 HydrophobicContact CB-CB 4.47Å; D980-K984 HydrophobicContact CB-CD 4.24Å; D980-K984 HydrophobicContact CB-CG 4.47Å; D980-K984 PolarHBondContact N-O 3.4Å; D980-K984 WeakPolarHBondContact OD2-CE 3.21Å; D980-K984 IonicContact OD2-NZ 3.68Å; D980-K984 PolarHBondContact OD2-NZ 3.37Å; S981-K984 PolarHBondContact N-O 3.38Å; S981-K984 PolarHBondContact O-N 3.14Å; S981-K984 VanDerWaalsContact O-N 3.1Å
985K79.6Confident83.1Confident117 Ų11764 Ų6451%0.50932%0.324SS..EExtended strand (participates in β ladder)trans-66.5140.8170.1-69.7177.7-179.7170.20109.9W979W979-K985 HydrophobicContact CD2-CG 3.85Å; W979-K985 HydrophobicContact CE3-CB 4.43Å; W979-K985 HydrophobicContact CE3-CG 3.68Å; W979-K985 HydrophobicContact CH2-CD 4.18Å; W979-K985 HydrophobicContact CH2-CG 3.65Å; W979-K985 HydrophobicContact CZ2-CD 4.23Å; W979-K985 HydrophobicContact CZ2-CG 3.8Å; W979-K985 HydrophobicContact CZ3-CG 3.58Å
986A79.6Confident83.1Confident4 Ų463.6 Ų63.63%0.03332%0.323CS..  trans-61.1142.117800000110.7H977 E978 N988 R989H977-A986 HydrophobicContact CB-CB 4.14Å; E978-A986 PolarHBondContact O-N 3.31Å; A986-N988 VanDerWaalsContact C-N 3.33Å; A986-N988 PolarHBondContact O-N 2.98Å; A986-R989 HydrophobicContact CB-CG 4.13Å; A986-R989 WeakPolarHBondContact O-CD 3.47Å; A986-R989 VanDerWaalsContact O-CG 3.24Å; A986-R989 WeakPolarHBondContact O-CG 3.46Å
987S73.9Confident83Confident121 Ų12162.3 Ų62.385%0.84632%0.319SS*.SBendtrans-66-34.7-175.755.20000112.8
988N71.9Confident82.9Confident64 Ų6461.8 Ų61.834%0.34232%0.316SS..  trans-118.1129.3169-176.324.6000110.4A986 S990 R1021A986-N988 VanDerWaalsContact C-N 3.33Å; A986-N988 PolarHBondContact O-N 2.98Å; N988-S990 PolarHBondContact ND2-OG 3.15Å; N988-S990 PolarHBondContact OD1-N 2.9Å; N988-S990 PolarHBondContact OD1-OG 2.86Å; N988-S990 VanDerWaalsContact OD1-OG 3.08Å; N988-R1021 PolarHBondContact ND2-NH1 3.02Å; N988-R1021 PolarHBondContact ND2-NH2 3.4Å
989R82.9Confident82.8Confident126 Ų12665.2 Ų65.248%0.47533%0.331SS..  trans-127.427.2-174.7-56.4-177.9-78.2142.84.4112K976 H977 E978 A986K976-R989 WeakPolarHBondContact CE-O 3.39Å; K976-R989 WeakPolarHBondContact CG-O 3.39Å; H977-R989 WeakPolarHBondContact O-CA 3.11Å; H977-R989 WeakPolarHBondContact O-CG 3.06Å; E978-R989 WeakPolarHBondContact O-CD 3.18Å; A986-R989 HydrophobicContact CB-CG 4.13Å; A986-R989 WeakPolarHBondContact O-CD 3.47Å; A986-R989 VanDerWaalsContact O-CG 3.24Å; A986-R989 WeakPolarHBondContact O-CG 3.46Å
990S82.1Confident82.5Confident47 Ų4766 Ų6633%0.32935%0.354SS..  trans-66.7165.2168.349.60000112.1K976 N988 D992K976-S990 WeakPolarHBondContact CA-O 3.29Å; N988-S990 PolarHBondContact ND2-OG 3.15Å; N988-S990 PolarHBondContact OD1-N 2.9Å; N988-S990 PolarHBondContact OD1-OG 2.86Å; N988-S990 VanDerWaalsContact OD1-OG 3.08Å; S990-D992 WeakPolarHBondContact CB-OD2 3.46Å; S990-D992 PolarHBondContact OG-OD2 3.12Å
991W88.8Confident82.5Confident66 Ų6664.3 Ų64.325%0.2535%0.347CS..EExtended strand (participates in β ladder)trans-90.6115.3163.6-75.3100.1000108.5T974 R975 K976 Y1039 K1042 V1045 L1057 Q1059T974-W991 HydrophobicContact CG2-CB 4.05Å; T974-W991 HydrophobicContact CG2-CE3 4.06Å; T974-W991 VanDerWaalsContact O-CZ3 3.25Å; T974-W991 WeakPolarHBondContact O-CZ3 3.43Å; R975-W991 CarbonylContact O-C 3.56Å; R975-W991 WeakPolarHBondContact O-CA 3.27Å; K976-W991 HydrophobicContact CB-CD2 3.65Å; K976-W991 HydrophobicContact CB-CE3 3.66Å; K976-W991 HydrophobicContact CB-CG 4.24Å; K976-W991 HydrophobicContact CB-CH2 4.11Å; K976-W991 HydrophobicContact CB-CZ2 4.08Å; K976-W991 HydrophobicContact CB-CZ3 3.89Å; K976-W991 HydrophobicContact CD-CD2 4.48Å; K976-W991 HydrophobicContact CD-CZ2 4.22Å; W991-Y1039 AromaticContact CZ2-CE1 3.82Å; W991-Y1039 HydrophobicContact CZ2-CE1 3.82Å; W991-Y1039 AromaticContact CZ2-CZ 3.92Å; W991-K1042 HydrophobicContact CD2-CD 4.25Å; W991-K1042 HydrophobicContact CH2-CD 4.44Å; W991-K1042 HydrophobicContact CZ2-CD 3.92Å; W991-V1045 HydrophobicContact CH2-CG1 4.11Å; W991-V1045 HydrophobicContact CH2-CG2 4.35Å; W991-L1057 HydrophobicContact CH2-CB 3.7Å; W991-L1057 HydrophobicContact CZ2-CB 4.36Å; W991-L1057 HydrophobicContact CZ3-CB 4.32Å; W991-L1057 WeakPolarHBondContact CZ3-O 3.47Å; W991-Q1059 HydrophobicContact CH2-CB 4.47Å; W991-Q1059 HydrophobicContact CZ3-CB 4.01Å
992D88.5Confident82.7Confident31 Ų3167.4 Ų67.417%0.16635%0.353CS..EExtended strand (participates in β ladder)trans-113.9132.8179.4-67.6-114.2000109.3R975 S990 V994 F1020 R1021R975-D992 PolarHBondContact N-O 3.18Å; R975-D992 PolarHBondContact O-N 3.19Å; S990-D992 WeakPolarHBondContact CB-OD2 3.46Å; S990-D992 PolarHBondContact OG-OD2 3.12Å; D992-V994 HydrophobicContact CB-CG1 4.28Å; D992-V994 PolarHBondContact O-N 3.1Å; D992-F1020 HydrophobicContact CB-CE1 4.29Å; D992-F1020 HydrophobicContact CB-CZ 3.95Å; D992-F1020 WeakPolarHBondContact OD1-CZ 3.41Å; D992-R1021 IonicContact OD1-CZ 3.37Å; D992-R1021 IonicContact OD1-NH2 3.44Å; D992-R1021 PolarHBondContact OD1-NH2 3.26Å; D992-R1021 IonicContact OD2-NH2 2.87Å
993K91Very high83.5Confident149 Ų14962.5 Ų62.565%0.64832%0.323SS*.EExtended strand (participates in β ladder)trans-78.6119.9171.2-172.6176.7-178177.40108.6
994V90.8Very high84.1Confident0 Ų057.1 Ų57.10%029%0.291CS..EExtended strand (participates in β ladder)trans-132.9156.9-175.4-66.20000110.5V973 R975 D992 F1005 Y1006 F1020V973-V994 HydrophobicContact CG2-CG2 4.05Å; V973-V994 PolarHBondContact N-O 3.09Å; V973-V994 PolarHBondContact O-N 3.18Å; V973-V994 VanDerWaalsContact O-O 3.05Å; R975-V994 HydrophobicContact CB-CG2 3.78Å; D992-V994 HydrophobicContact CB-CG1 4.28Å; D992-V994 PolarHBondContact O-N 3.1Å; V994-F1005 HydrophobicContact CG2-CD1 3.81Å; V994-Y1006 WeakPolarHBondContact CB-O 3.43Å; V994-F1020 HydrophobicContact CG1-CD1 4.03Å; V994-F1020 HydrophobicContact CG1-CD2 3.87Å; V994-F1020 HydrophobicContact CG1-CE1 4.04Å; V994-F1020 HydrophobicContact CG1-CE2 3.88Å; V994-F1020 HydrophobicContact CG1-CG 3.93Å; V994-F1020 HydrophobicContact CG1-CZ 3.96Å
995Y89.8Confident84.7Confident6 Ų651.7 Ų51.72%0.02427%0.267CS..EExtended strand (participates in β ladder)trans-90.6121167.3-166.5-105.1000108.5E970 G971 Y972 F1005 Y1006 Q1009 Y1012E970-Y995 HydrophobicContact CB-CE1 4.17Å; E970-Y995 WeakPolarHBondContact CG-OH 3.42Å; E970-Y995 PolarHBondContact OE1-OH 3.48Å; E970-Y995 VanDerWaalsContact OE1-OH 3.05Å; G971-Y995 WeakPolarHBondContact O-CD2 3.08Å; Y972-Y995 AromaticContact CD1-CD2 3.9Å; Y972-Y995 HydrophobicContact CD1-CD2 3.9Å; Y972-Y995 AromaticContact CD2-CD2 3.78Å; Y972-Y995 HydrophobicContact CD2-CD2 3.78Å; Y972-Y995 HydrophobicContact CD2-CE2 4.1Å; Y972-Y995 AromaticContact CE1-CD2 3.84Å; Y972-Y995 HydrophobicContact CE1-CD2 3.84Å; Y972-Y995 HydrophobicContact CE1-CG 4.37Å; Y972-Y995 AromaticContact CE2-CD2 3.71Å; Y972-Y995 HydrophobicContact CE2-CD2 3.71Å; Y972-Y995 HydrophobicContact CE2-CE2 4.02Å; Y972-Y995 AromaticContact CG-CD2 3.87Å; Y972-Y995 HydrophobicContact CG-CD2 3.87Å; Y972-Y995 AromaticContact CZ-CD2 3.75Å; Y995-F1005 CarbonylContact O-C 3.54Å; Y995-Y1006 PolarHBondContact N-O 3.46Å; Y995-Y1006 PolarHBondContact O-N 3.34Å; Y995-Q1009 HydrophobicContact CD1-CB 4.26Å; Y995-Q1009 HydrophobicContact CD1-CG 4.5Å; Y995-Q1009 HydrophobicContact CD2-CB 3.85Å; Y995-Q1009 HydrophobicContact CD2-CG 4.42Å; Y995-Q1009 HydrophobicContact CE1-CB 4.18Å; Y995-Q1009 HydrophobicContact CE1-CG 3.94Å; Y995-Q1009 HydrophobicContact CE2-CB 3.78Å; Y995-Q1009 HydrophobicContact CE2-CG 3.87Å; Y995-Q1009 HydrophobicContact CG-CB 4.09Å; Y995-Q1009 PolarHBondContact OH-NE2 3.42Å; Y995-Q1009 VanDerWaalsContact OH-NE2 3.1Å; Y995-Y1012 HydrophobicContact CD1-CD1 4.05Å; Y995-Y1012 HydrophobicContact CD1-CG 4.19Å; Y995-Y1012 AromaticContact CE1-CD1 3.51Å; Y995-Y1012 HydrophobicContact CE1-CD1 3.51Å; Y995-Y1012 AromaticContact CE1-CE1 3.95Å; Y995-Y1012 HydrophobicContact CE1-CE1 3.95Å; Y995-Y1012 HydrophobicContact CE1-CG 4.1Å
996M91.6Very high85.2Confident0 Ų047 Ų470%025%0.246CC..EExtended strand (participates in β ladder)trans-106.3134.8-179.4-176.2173.877.900109.6E970 G971 V973 S1004 F1005 L1058 W1069 L1073E970-M996 VanDerWaalsContact CA-O 3.27Å; E970-M996 WeakPolarHBondContact CA-O 3.45Å; G971-M996 PolarHBondContact N-O 3.38Å; G971-M996 PolarHBondContact O-N 3.39Å; V973-M996 HydrophobicContact CG1-CE 4.27Å; V973-M996 HydrophobicContact CG2-CB 3.64Å; V973-M996 HydrophobicContact CG2-CE 4.47Å; V973-M996 HydrophobicContact CG2-SD 4.19Å; M996-S1004 WeakPolarHBondContact CA-O 3.43Å; M996-F1005 HydrophobicContact CB-CD1 4.02Å; M996-F1005 HydrophobicContact CB-CE1 4.12Å; M996-F1005 HydrophobicContact CG-CD1 3.94Å; M996-F1005 HydrophobicContact CG-CE1 3.7Å; M996-F1005 HydrophobicContact SD-CD1 4.3Å; M996-F1005 HydrophobicContact SD-CE1 3.46Å; M996-F1005 WeakPolarHBondContact SD-CE1 3.24Å; M996-F1005 HydrophobicContact SD-CZ 4.09Å; M996-L1058 HydrophobicContact CE-CD1 3.96Å; M996-L1058 HydrophobicContact SD-CD1 3.67Å; M996-L1058 HydrophobicContact SD-CD2 4.41Å; M996-W1069 HydrophobicContact CE-CD2 3.83Å; M996-W1069 HydrophobicContact CE-CE3 3.24Å; M996-W1069 HydrophobicContact CE-CH2 3.63Å; M996-W1069 HydrophobicContact CE-CZ2 4.13Å; M996-W1069 HydrophobicContact CE-CZ3 3.16Å; M996-L1073 HydrophobicContact CE-CD1 4.39Å
997A89Confident85.5Confident7 Ų754.5 Ų54.56%0.05828%0.278CS..EExtended strand (participates in β ladder)trans-122.8123.7169.300000109.3E970 S1004 Y1006 Y1012E970-A997 HydrophobicContact CB-CB 4.17Å; A997-S1004 PolarHBondContact N-O 2.94Å; A997-S1004 PolarHBondContact O-N 3.01Å; A997-Y1006 HydrophobicContact CB-CE2 4.21Å; A997-Y1012 HydrophobicContact CB-CE2 3.96Å
998A86.5Confident86Confident1 Ų151.6 Ų51.61%0.00825%0.253CS..EExtended strand (participates in β ladder)trans-108.5109173.200000108.5G968 H969 R1002 I1003 L1073 Q1076G968-A998 CarbonylContact C-O 3.6Å; G968-A998 WeakPolarHBondContact CA-O 3.45Å; H969-A998 PolarHBondContact N-O 3.17Å; H969-A998 PolarHBondContact O-N 3.4Å; A998-R1002 WeakPolarHBondContact CA-O 3.34Å; A998-I1003 HydrophobicContact CB-CG2 3.93Å; A998-L1073 HydrophobicContact CB-CD2 3.66Å; A998-Q1076 PolarHBondContact O-NE2 2.82Å; A998-Q1076 PolarHBondContact O-OE1 3.13Å
999K82.9Confident86.7Confident122 Ų12251.8 Ų51.853%0.5325%0.252SS..EExtended strand (participates in β ladder)trans-146.8144.1180-168.1169.1-177.1171.90111G1001 R1002 Q1076K999-G1001 VanDerWaalsContact C-N 3.29Å; K999-G1001 PolarHBondContact O-N 3.06Å; K999-R1002 PolarHBondContact N-O 3.13Å; K999-R1002 PolarHBondContact O-N 2.92Å; K999-R1002 VanDerWaalsContact O-N 3.08Å; K999-Q1076 VanDerWaalsContact N-OE1 3.09Å
1000A76.8Confident86.8Confident93 Ų9353.7 Ų53.777%0.76926%0.263SS*.THydrogen-bonded Turntrans51.842.1176.700000114.1R1002A1000-R1002 VanDerWaalsContact C-N 3.29Å; A1000-R1002 PolarHBondContact O-N 3.48Å
1001G79.1Confident86.6Confident10 Ų1052.5 Ų52.510%0.10326%0.259CS..THydrogen-bonded Turntrans74.213.8178.800000114.5K999 L1028K999-G1001 VanDerWaalsContact C-N 3.29Å; K999-G1001 PolarHBondContact O-N 3.06Å; G1001-L1028 WeakPolarHBondContact O-CB 3.48Å; G1001-L1028 PolarHBondContact O-N 3.28Å
1002R84.3Confident86.2Confident101 Ų10151.5 Ų51.538%0.38126%0.255SS..EExtended strand (participates in β ladder)trans-128.6145.9178.5-56.5-179.582.590.2-0.6111.8A998 K999 A1000 S1025 Y1026 D1027A998-R1002 WeakPolarHBondContact CA-O 3.34Å; K999-R1002 PolarHBondContact N-O 3.13Å; K999-R1002 PolarHBondContact O-N 2.92Å; K999-R1002 VanDerWaalsContact O-N 3.08Å; A1000-R1002 VanDerWaalsContact C-N 3.29Å; A1000-R1002 PolarHBondContact O-N 3.48Å; R1002-S1025 PolarHBondContact NE-OG 3.35Å; R1002-S1025 PolarHBondContact NH2-O 3.22Å; R1002-S1025 PolarHBondContact NH2-OG 3.13Å; R1002-Y1026 CarbonylContact C-O 3.59Å; R1002-Y1026 WeakPolarHBondContact CA-O 3.31Å; R1002-Y1026 WeakPolarHBondContact CB-O 3.26Å; R1002-D1027 IonicContact NH1-OD2 2.73Å
1003I89.9Confident85.8Confident1 Ų156.7 Ų56.71%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-106136.5168.156.4178.3000110.9A998 F1005 Y1026 L1028 V1048 L1050 L1073A998-I1003 HydrophobicContact CB-CG2 3.93Å; I1003-F1005 HydrophobicContact CD1-CE2 4.31Å; I1003-F1005 HydrophobicContact CD1-CZ 4.13Å; I1003-Y1026 PolarHBondContact N-O 3.29Å; I1003-Y1026 PolarHBondContact O-N 2.87Å; I1003-L1028 HydrophobicContact CD1-CD2 4.09Å; I1003-L1028 HydrophobicContact CG1-CD2 4.22Å; I1003-L1028 HydrophobicContact CG2-CD1 3.81Å; I1003-L1028 HydrophobicContact CG2-CD2 3.78Å; I1003-L1028 HydrophobicContact CG2-CG 3.87Å; I1003-V1048 HydrophobicContact CD1-CG1 4.47Å; I1003-L1050 HydrophobicContact CD1-CD2 4.42Å; I1003-L1073 HydrophobicContact CG2-CD2 3.68Å
1004S89.4Confident85.3Confident16 Ų1653.7 Ų53.711%0.11227%0.274CS..EExtended strand (participates in β ladder)trans-133143.9174.3-54.90000110.1M996 A997 Y1006 S1025M996-S1004 WeakPolarHBondContact CA-O 3.43Å; A997-S1004 PolarHBondContact N-O 2.94Å; A997-S1004 PolarHBondContact O-N 3.01Å; S1004-Y1006 WeakPolarHBondContact CB-OH 3.44Å; S1004-S1025 WeakPolarHBondContact OG-CB 3.46Å
1005F90.9Very high84.6Confident4 Ų458.2 Ų58.22%0.01830%0.298CS..EExtended strand (participates in β ladder)trans-114.1139.6-180-58-74.9000110.1R975 V994 Y995 M996 I1003 T1019 F1020 Y1026 F1056 L1058R975-F1005 VanDerWaalsContact CD-CE1 3.48Å; R975-F1005 HydrophobicContact CG-CE1 4.32Å; R975-F1005 HydrophobicContact CG-CZ 4.46Å; V994-F1005 HydrophobicContact CG2-CD1 3.81Å; Y995-F1005 CarbonylContact O-C 3.54Å; M996-F1005 HydrophobicContact CB-CD1 4.02Å; M996-F1005 HydrophobicContact CB-CE1 4.12Å; M996-F1005 HydrophobicContact CG-CD1 3.94Å; M996-F1005 HydrophobicContact CG-CE1 3.7Å; M996-F1005 HydrophobicContact SD-CD1 4.3Å; M996-F1005 HydrophobicContact SD-CE1 3.46Å; M996-F1005 WeakPolarHBondContact SD-CE1 3.24Å; M996-F1005 HydrophobicContact SD-CZ 4.09Å; I1003-F1005 HydrophobicContact CD1-CE2 4.31Å; I1003-F1005 HydrophobicContact CD1-CZ 4.13Å; F1005-T1019 WeakPolarHBondContact O-CA 3.5Å; F1005-F1020 HydrophobicContact CB-CB 4.15Å; F1005-F1020 WeakPolarHBondContact O-CB 3.35Å; F1005-F1020 PolarHBondContact O-N 2.79Å; F1005-Y1026 HydrophobicContact CD2-CE2 4.42Å; F1005-Y1026 HydrophobicContact CE2-CD2 4.29Å; F1005-Y1026 HydrophobicContact CE2-CE2 4.41Å; F1005-F1056 HydrophobicContact CE2-CD1 4.34Å; F1005-F1056 HydrophobicContact CE2-CE1 4.12Å; F1005-F1056 HydrophobicContact CE2-CZ 4.37Å; F1005-F1056 HydrophobicContact CZ-CD1 4.46Å; F1005-L1058 HydrophobicContact CE1-CD2 4.11Å; F1005-L1058 HydrophobicContact CZ-CD2 4.47Å
1006Y88.8Confident84Confident18 Ų1861.5 Ų61.57%0.07132%0.32CS..EExtended strand (participates in β ladder)trans-131.9158.1-179.3-55.8-86.9000110.3V994 Y995 A997 S1004 D1008 Y1012 P1016 T1019V994-Y1006 WeakPolarHBondContact CB-O 3.43Å; Y995-Y1006 PolarHBondContact N-O 3.46Å; Y995-Y1006 PolarHBondContact O-N 3.34Å; A997-Y1006 HydrophobicContact CB-CE2 4.21Å; S1004-Y1006 WeakPolarHBondContact CB-OH 3.44Å; Y1006-D1008 PolarHBondContact O-N 3.29Å; Y1006-Y1012 HydrophobicContact CD1-CD2 4.49Å; Y1006-Y1012 AromaticContact CD2-CD2 3.84Å; Y1006-Y1012 HydrophobicContact CD2-CD2 3.84Å; Y1006-Y1012 HydrophobicContact CD2-CG 4.16Å; Y1006-Y1012 HydrophobicContact CE1-CD2 4.15Å; Y1006-Y1012 AromaticContact CE2-CD2 3.43Å; Y1006-Y1012 HydrophobicContact CE2-CD2 3.43Å; Y1006-Y1012 VanDerWaalsContact CE2-CD2 3.43Å; Y1006-Y1012 HydrophobicContact CE2-CE2 4.02Å; Y1006-Y1012 HydrophobicContact CE2-CG 4.21Å; Y1006-Y1012 HydrophobicContact CG-CD2 4.35Å; Y1006-Y1012 HydrophobicContact CG-CG 4.49Å; Y1006-Y1012 AromaticContact CZ-CD2 3.61Å; Y1006-P1016 WeakPolarHBondContact CE1-O 3.35Å; Y1006-P1016 PolarHBondContact OH-O 3.45Å; Y1006-T1019 HydrophobicContact CE1-CG2 3.98Å
1007K85.8Confident83.2Confident162 Ų16270.4 Ų70.470%0.70436%0.362SS*.SBendtrans-62.6-42.4178.8-173-179.1178.2-176.60112.1F1020K1007-F1020 HydrophobicContact CB-CD2 4.29Å
1008D86Confident82.7Confident59 Ų5976 Ų7632%0.31639%0.391SS..SBendtrans-156.9172.9176.257.241000110.6Y972 Y1006 K1010 G1011 Y1012Y972-D1008 HydrophobicContact CE1-CB 4.47Å; Y1006-D1008 PolarHBondContact O-N 3.29Å; D1008-K1010 PolarHBondContact O-N 3.13Å; D1008-K1010 WeakPolarHBondContact OD1-CA 3.43Å; D1008-K1010 WeakPolarHBondContact OD1-CB 3.17Å; D1008-K1010 PolarHBondContact OD1-N 3.27Å; D1008-G1011 PolarHBondContact O-N 2.95Å; D1008-G1011 PolarHBondContact OD1-N 3.09Å; D1008-Y1012 PolarHBondContact O-N 3.35Å
1009Q86.4Confident82.5Confident69 Ų6977.1 Ų77.132%0.32240%0.397SS..Hα-helixtrans-64.4-25.4177.6-172.217836.200112.8Y972 Y995 K1013Y972-Q1009 HydrophobicContact CE2-CB 4.27Å; Y972-Q1009 WeakPolarHBondContact OH-CB 3.48Å; Y972-Q1009 PolarHBondContact OH-N 3.25Å; Y995-Q1009 HydrophobicContact CD1-CB 4.26Å; Y995-Q1009 HydrophobicContact CD1-CG 4.5Å; Y995-Q1009 HydrophobicContact CD2-CB 3.85Å; Y995-Q1009 HydrophobicContact CD2-CG 4.42Å; Y995-Q1009 HydrophobicContact CE1-CB 4.18Å; Y995-Q1009 HydrophobicContact CE1-CG 3.94Å; Y995-Q1009 HydrophobicContact CE2-CB 3.78Å; Y995-Q1009 HydrophobicContact CE2-CG 3.87Å; Y995-Q1009 HydrophobicContact CG-CB 4.09Å; Y995-Q1009 PolarHBondContact OH-NE2 3.42Å; Y995-Q1009 VanDerWaalsContact OH-NE2 3.1Å; Q1009-K1013 HydrophobicContact CG-CD 4.42Å; Q1009-K1013 WeakPolarHBondContact O-CG 3.25Å; Q1009-K1013 PolarHBondContact O-N 3.43Å; Q1009-K1013 VanDerWaalsContact O-N 3.16Å
1010K84.5Confident82.5Confident165 Ų16572.3 Ų72.372%0.71738%0.376SS*.Hα-helixtrans-71.6-46.3-179.8-171.2177.6-179.5-179.90110.2D1008 Y1012 K1013 S1014D1008-K1010 PolarHBondContact O-N 3.13Å; D1008-K1010 WeakPolarHBondContact OD1-CA 3.43Å; D1008-K1010 WeakPolarHBondContact OD1-CB 3.17Å; D1008-K1010 PolarHBondContact OD1-N 3.27Å; K1010-Y1012 PolarHBondContact O-N 2.94Å; K1010-K1013 PolarHBondContact O-N 3.14Å; K1010-S1014 WeakPolarHBondContact O-CB 3.23Å; K1010-S1014 PolarHBondContact O-N 3.08Å; K1010-S1014 PolarHBondContact O-OG 3.48Å
1011G77.5Confident82.7Confident23 Ų2375.5 Ų75.524%0.23737%0.368CS..Hα-helixtrans-58.8-45.5175.400000112.5D1008 K1013 S1014 N1015D1008-G1011 PolarHBondContact O-N 2.95Å; D1008-G1011 PolarHBondContact OD1-N 3.09Å; G1011-K1013 VanDerWaalsContact C-N 3.34Å; G1011-K1013 PolarHBondContact O-N 3.43Å; G1011-S1014 PolarHBondContact O-N 2.87Å; G1011-N1015 CarbonylContact O-C 3.57Å; G1011-N1015 PolarHBondContact O-N 3.47Å
1012Y80.6Confident82.4Confident45 Ų4578 Ų7818%0.17639%0.393CS..Hα-helixtrans-57-43.3173.5167.7-116.7000112.8E970 Y995 A997 Y1006 D1008 K1010 P1016E970-Y1012 WeakPolarHBondContact OE2-CE1 3.25Å; E970-Y1012 VanDerWaalsContact OE2-CZ 3.3Å; E970-Y1012 PolarHBondContact OE2-OH 2.99Å; Y995-Y1012 HydrophobicContact CD1-CD1 4.05Å; Y995-Y1012 HydrophobicContact CD1-CG 4.19Å; Y995-Y1012 AromaticContact CE1-CD1 3.51Å; Y995-Y1012 HydrophobicContact CE1-CD1 3.51Å; Y995-Y1012 AromaticContact CE1-CE1 3.95Å; Y995-Y1012 HydrophobicContact CE1-CE1 3.95Å; Y995-Y1012 HydrophobicContact CE1-CG 4.1Å; A997-Y1012 HydrophobicContact CB-CE2 3.96Å; Y1006-Y1012 HydrophobicContact CD1-CD2 4.49Å; Y1006-Y1012 AromaticContact CD2-CD2 3.84Å; Y1006-Y1012 HydrophobicContact CD2-CD2 3.84Å; Y1006-Y1012 HydrophobicContact CD2-CG 4.16Å; Y1006-Y1012 HydrophobicContact CE1-CD2 4.15Å; Y1006-Y1012 AromaticContact CE2-CD2 3.43Å; Y1006-Y1012 HydrophobicContact CE2-CD2 3.43Å; Y1006-Y1012 VanDerWaalsContact CE2-CD2 3.43Å; Y1006-Y1012 HydrophobicContact CE2-CE2 4.02Å; Y1006-Y1012 HydrophobicContact CE2-CG 4.21Å; Y1006-Y1012 HydrophobicContact CG-CD2 4.35Å; Y1006-Y1012 HydrophobicContact CG-CG 4.49Å; Y1006-Y1012 AromaticContact CZ-CD2 3.61Å; D1008-Y1012 PolarHBondContact O-N 3.35Å; K1010-Y1012 PolarHBondContact O-N 2.94Å; Y1012-P1016 WeakPolarHBondContact O-CG 3.3Å
1013K81.4Confident82.2Confident140 Ų14074.8 Ų74.861%0.60938%0.383SS*.Hα-helixtrans-76.9-31.5179.5-72.3-175.5176.8-177.70114.1Q1009 K1010 G1011Q1009-K1013 HydrophobicContact CG-CD 4.42Å; Q1009-K1013 WeakPolarHBondContact O-CG 3.25Å; Q1009-K1013 PolarHBondContact O-N 3.43Å; Q1009-K1013 VanDerWaalsContact O-N 3.16Å; K1010-K1013 PolarHBondContact O-N 3.14Å; G1011-K1013 VanDerWaalsContact C-N 3.34Å; G1011-K1013 PolarHBondContact O-N 3.43Å
1014S78.5Confident81.7Confident85 Ų8578.9 Ų78.959%0.59441%0.409SS*.Hα-helixtrans-93-26.3-17665.80000114.4K1010 G1011K1010-S1014 WeakPolarHBondContact O-CB 3.23Å; K1010-S1014 PolarHBondContact O-N 3.08Å; K1010-S1014 PolarHBondContact O-OG 3.48Å; G1011-S1014 PolarHBondContact O-N 2.87Å
1015N77.8Confident81.4Confident95 Ų9580.3 Ų80.351%0.50842%0.419SS..  trans-153.277.7-178.7-136.4-4.6000111G1011 E1017 L1018G1011-N1015 CarbonylContact O-C 3.57Å; G1011-N1015 PolarHBondContact O-N 3.47Å; N1015-E1017 PolarHBondContact O-N 3.25Å; N1015-L1018 HydrophobicContact CB-CB 4.38Å; N1015-L1018 PolarHBondContact O-N 3.49Å
1016P75.9Confident81.1Confident75 Ų7581.5 Ų81.549%0.48742%0.424SS..THydrogen-bonded Turntrans-60-18.4-171.3-23.732.4000115.8Y1006 Y1012Y1006-P1016 WeakPolarHBondContact CE1-O 3.35Å; Y1006-P1016 PolarHBondContact OH-O 3.45Å; Y1012-P1016 WeakPolarHBondContact O-CG 3.3Å
1017E74.8Confident80.9Confident187 Ų18784.1 Ų84.187%0.87444%0.439SS*.THydrogen-bonded Turntrans-84.3-13.5176.9-57.1-155.8154.700113.4N1015 T1019N1015-E1017 PolarHBondContact O-N 3.25Å; E1017-T1019 PolarHBondContact O-N 3.22Å
1018L79Confident80.9Confident126 Ų12676.4 Ų76.466%0.6641%0.406SS*.  trans-92.178.1-179.2-16280.1000111.5N1015N1015-L1018 HydrophobicContact CB-CB 4.38Å; N1015-L1018 PolarHBondContact O-N 3.49Å
1019T82.4Confident80.7Confident23 Ų2377.9 Ų77.914%0.14141%0.411CS..  trans-67.7163.9176.555.90000113.2F1005 Y1006 E1017 R1021 G1022 E1023F1005-T1019 WeakPolarHBondContact O-CA 3.5Å; Y1006-T1019 HydrophobicContact CE1-CG2 3.98Å; E1017-T1019 PolarHBondContact O-N 3.22Å; T1019-R1021 PolarHBondContact O-N 2.73Å; T1019-R1021 VanDerWaalsContact O-N 3.08Å; T1019-G1022 PolarHBondContact O-N 2.95Å; T1019-G1022 VanDerWaalsContact O-N 3.08Å; T1019-G1022 WeakPolarHBondContact OG1-CA 3.24Å; T1019-E1023 WeakPolarHBondContact CB-O 3.41Å; T1019-E1023 WeakPolarHBondContact CG2-O 3.27Å; T1019-E1023 PolarHBondContact OG1-N 3.22Å; T1019-E1023 PolarHBondContact OG1-O 3.11Å
1020F82.2Confident80.4Confident22 Ų2280.7 Ų80.710%0.09643%0.428CS..G310 helixtrans-56.6115.4177.6-175.2-106.4000110.7D992 V994 F1005 K1007 G1022 E1023D992-F1020 HydrophobicContact CB-CE1 4.29Å; D992-F1020 HydrophobicContact CB-CZ 3.95Å; D992-F1020 WeakPolarHBondContact OD1-CZ 3.41Å; V994-F1020 HydrophobicContact CG1-CD1 4.03Å; V994-F1020 HydrophobicContact CG1-CD2 3.87Å; V994-F1020 HydrophobicContact CG1-CE1 4.04Å; V994-F1020 HydrophobicContact CG1-CE2 3.88Å; V994-F1020 HydrophobicContact CG1-CG 3.93Å; V994-F1020 HydrophobicContact CG1-CZ 3.96Å; F1005-F1020 HydrophobicContact CB-CB 4.15Å; F1005-F1020 WeakPolarHBondContact O-CB 3.35Å; F1005-F1020 PolarHBondContact O-N 2.79Å; K1007-F1020 HydrophobicContact CB-CD2 4.29Å; F1020-G1022 PolarHBondContact O-N 2.95Å; F1020-G1022 VanDerWaalsContact O-N 3.11Å; F1020-E1023 WeakPolarHBondContact O-CB 3.29Å; F1020-E1023 VanDerWaalsContact O-CG 3.32Å; F1020-E1023 WeakPolarHBondContact O-CG 3.32Å; F1020-E1023 PolarHBondContact O-N 2.8Å; F1020-E1023 VanDerWaalsContact O-N 3.15Å
1021R80.8Confident80.4Confident160 Ų16073.4 Ų73.460%0.60440%0.398SS*.G310 helixtrans55.422.1-177.3-51.2-177-171.4-151.28.5114.4N988 D992 T1019 E1023N988-R1021 PolarHBondContact ND2-NH1 3.02Å; N988-R1021 PolarHBondContact ND2-NH2 3.4Å; D992-R1021 IonicContact OD1-CZ 3.37Å; D992-R1021 IonicContact OD1-NH2 3.44Å; D992-R1021 PolarHBondContact OD1-NH2 3.26Å; D992-R1021 IonicContact OD2-NH2 2.87Å; T1019-R1021 PolarHBondContact O-N 2.73Å; T1019-R1021 VanDerWaalsContact O-N 3.08Å; R1021-E1023 VanDerWaalsContact C-N 3.32Å
1022G74.5Confident80.8Confident61 Ų6174.7 Ų74.763%0.62941%0.407SS*.G310 helixtrans72.519.9-178.100000114.7T1019 F1020T1019-G1022 PolarHBondContact O-N 2.95Å; T1019-G1022 VanDerWaalsContact O-N 3.08Å; T1019-G1022 WeakPolarHBondContact OG1-CA 3.24Å; F1020-G1022 PolarHBondContact O-N 2.95Å; F1020-G1022 VanDerWaalsContact O-N 3.11Å
1023E79.3Confident81.3Confident34 Ų3472.8 Ų72.816%0.15940%0.4CS..PPolyproline II helixtrans-65.6137.2176.2-69.3175.2-164.400111.6R975 T1019 F1020 R1021 Y1026R975-E1023 IonicContact CZ-OE1 3.51Å; R975-E1023 IonicContact CZ-OE2 3.86Å; R975-E1023 VanDerWaalsContact CZ-OE2 3.26Å; R975-E1023 IonicContact NH1-OE1 3.37Å; R975-E1023 IonicContact NH1-OE2 2.75Å; R975-E1023 PolarHBondContact NH1-OE2 3.37Å; R975-E1023 VanDerWaalsContact NH2-CD 3.33Å; R975-E1023 IonicContact NH2-OE1 3.63Å; R975-E1023 PolarHBondContact NH2-OE1 2.86Å; R975-E1023 IonicContact NH2-OE2 2.85Å; R975-E1023 PolarHBondContact NH2-OE2 3.41Å; R975-E1023 VanDerWaalsContact NH2-OE2 3.09Å; T1019-E1023 WeakPolarHBondContact CB-O 3.41Å; T1019-E1023 WeakPolarHBondContact CG2-O 3.27Å; T1019-E1023 PolarHBondContact OG1-N 3.22Å; T1019-E1023 PolarHBondContact OG1-O 3.11Å; F1020-E1023 WeakPolarHBondContact O-CB 3.29Å; F1020-E1023 VanDerWaalsContact O-CG 3.32Å; F1020-E1023 WeakPolarHBondContact O-CG 3.32Å; F1020-E1023 PolarHBondContact O-N 2.8Å; F1020-E1023 VanDerWaalsContact O-N 3.15Å; R1021-E1023 VanDerWaalsContact C-N 3.32Å; E1023-Y1026 HydrophobicContact CB-CE2 4.43Å
1024P79.1Confident81.6Confident87 Ų8771.8 Ų71.857%0.56540%0.397SS*.PPolyproline II helixtrans-68.6156.418029.9-35.8000112Y1026P1024-Y1026 HydrophobicContact CG-CE1 4.31Å; P1024-Y1026 WeakPolarHBondContact O-CD2 3.45Å; P1024-Y1026 VanDerWaalsContact O-CE2 3.22Å; P1024-Y1026 WeakPolarHBondContact O-CE2 3.49Å; P1024-Y1026 PolarHBondContact O-N 3.17Å
1025S82.8Confident82.1Confident46 Ų4671.8 Ų71.832%0.32239%0.39SS..PPolyproline II helixtrans-68.1126.6169.7650000110.2R1002 S1004R1002-S1025 PolarHBondContact NE-OG 3.35Å; R1002-S1025 PolarHBondContact NH2-O 3.22Å; R1002-S1025 PolarHBondContact NH2-OG 3.13Å; S1004-S1025 WeakPolarHBondContact OG-CB 3.46Å
1026Y86.1Confident82.5Confident30 Ų3067.6 Ų67.612%0.11837%0.368CS..EExtended strand (participates in β ladder)trans-96142.1-173.9-60.3-86.4000111.7R1002 I1003 F1005 E1023 P1024 L1050 F1056R1002-Y1026 CarbonylContact C-O 3.59Å; R1002-Y1026 WeakPolarHBondContact CA-O 3.31Å; R1002-Y1026 WeakPolarHBondContact CB-O 3.26Å; I1003-Y1026 PolarHBondContact N-O 3.29Å; I1003-Y1026 PolarHBondContact O-N 2.87Å; F1005-Y1026 HydrophobicContact CD2-CE2 4.42Å; F1005-Y1026 HydrophobicContact CE2-CD2 4.29Å; F1005-Y1026 HydrophobicContact CE2-CE2 4.41Å; E1023-Y1026 HydrophobicContact CB-CE2 4.43Å; P1024-Y1026 HydrophobicContact CG-CE1 4.31Å; P1024-Y1026 WeakPolarHBondContact O-CD2 3.45Å; P1024-Y1026 VanDerWaalsContact O-CE2 3.22Å; P1024-Y1026 WeakPolarHBondContact O-CE2 3.49Å; P1024-Y1026 PolarHBondContact O-N 3.17Å; Y1026-L1050 HydrophobicContact CD1-CD1 4.01Å; Y1026-L1050 HydrophobicContact CG-CD1 3.99Å; Y1026-F1056 HydrophobicContact CD1-CZ 4.46Å; Y1026-F1056 HydrophobicContact CD2-CZ 4.14Å; Y1026-F1056 HydrophobicContact CE1-CZ 4.22Å; Y1026-F1056 HydrophobicContact CE2-CE1 4.5Å; Y1026-F1056 AromaticContact CE2-CZ 3.89Å; Y1026-F1056 HydrophobicContact CE2-CZ 3.89Å; Y1026-F1056 HydrophobicContact CG-CZ 4.42Å; Y1026-F1056 AromaticContact CZ-CZ 3.94Å
1027D84.7Confident82.7Confident73 Ų7369.6 Ų69.639%0.3938%0.384SS..EExtended strand (participates in β ladder)trans-82.2132.4179.2-155.9-38.3000111.4R1002 Q1029R1002-D1027 IonicContact NH1-OD2 2.73Å; D1027-Q1029 VanDerWaalsContact OD1-CB 3.27Å; D1027-Q1029 WeakPolarHBondContact OD1-CB 3.46Å; D1027-Q1029 PolarHBondContact OD1-N 2.83Å
1028L85Confident83Confident0 Ų065.3 Ų65.30%037%0.367CS..  trans-89.7-6.8175.9-72.7179.3000113.4G1001 I1003 N1030 A1031 V1048 L1050 L1073 Q1076 S1077G1001-L1028 WeakPolarHBondContact O-CB 3.48Å; G1001-L1028 PolarHBondContact O-N 3.28Å; I1003-L1028 HydrophobicContact CD1-CD2 4.09Å; I1003-L1028 HydrophobicContact CG1-CD2 4.22Å; I1003-L1028 HydrophobicContact CG2-CD1 3.81Å; I1003-L1028 HydrophobicContact CG2-CD2 3.78Å; I1003-L1028 HydrophobicContact CG2-CG 3.87Å; L1028-N1030 PolarHBondContact O-N 2.92Å; L1028-N1030 VanDerWaalsContact O-N 3.15Å; L1028-A1031 HydrophobicContact CD2-CB 4.2Å; L1028-A1031 WeakPolarHBondContact O-CB 3.47Å; L1028-A1031 PolarHBondContact O-N 3.12Å; L1028-V1048 HydrophobicContact CD2-CG1 4.32Å; L1028-L1050 HydrophobicContact CD2-CD2 3.99Å; L1028-L1073 HydrophobicContact CD1-CD2 3.91Å; L1028-Q1076 HydrophobicContact CD1-CB 3.81Å; L1028-S1077 WeakPolarHBondContact O-CB 3.31Å
1029Q81.9Confident83.1Confident90 Ų9061.4 Ų61.442%0.42134%0.344SS..THydrogen-bonded Turntrans-59122.6-177-162.4-178.310.300110.8D1027 A1031D1027-Q1029 VanDerWaalsContact OD1-CB 3.27Å; D1027-Q1029 WeakPolarHBondContact OD1-CB 3.46Å; D1027-Q1029 PolarHBondContact OD1-N 2.83Å; Q1029-A1031 VanDerWaalsContact C-N 3.3Å; Q1029-A1031 PolarHBondContact O-N 3.02Å
1030N79.8Confident82.8Confident128 Ų12866.6 Ų66.668%0.68438%0.376SS*.THydrogen-bonded Turntrans61.125.8-172.5-47.3-62.7000115.4L1028 A1051L1028-N1030 PolarHBondContact O-N 2.92Å; L1028-N1030 VanDerWaalsContact O-N 3.15Å; N1030-A1051 HydrophobicContact CB-CB 4.38Å
1031A84.1Confident82.7Confident11 Ų1174 Ų749%0.09141%0.408CS..  trans-74.2134.5173.400000112.4L1028 Q1029 I1033 K1049 L1050L1028-A1031 HydrophobicContact CD2-CB 4.2Å; L1028-A1031 WeakPolarHBondContact O-CB 3.47Å; L1028-A1031 PolarHBondContact O-N 3.12Å; Q1029-A1031 VanDerWaalsContact C-N 3.3Å; Q1029-A1031 PolarHBondContact O-N 3.02Å; A1031-I1033 HydrophobicContact CB-CD1 4.48Å; A1031-I1033 HydrophobicContact CB-CG1 4.49Å; A1031-K1049 CarbonylContact C-O 3.59Å; A1031-K1049 WeakPolarHBondContact CA-O 3.38Å; A1031-L1050 HydrophobicContact CB-CD2 3.7Å
1032A86.4Confident82.8Confident50 Ų5069.5 Ų69.541%0.41339%0.393SS..EExtended strand (participates in β ladder)trans-85.5118.3171.100000110.1K1049A1032-K1049 HydrophobicContact CB-CB 4.45Å; A1032-K1049 PolarHBondContact N-O 3.27Å; A1032-K1049 PolarHBondContact O-N 3.45Å
1033I91.1Very high83.3Confident6 Ų674.4 Ų74.43%0.03140%0.397CS..EExtended strand (participates in β ladder)trans-121.2114.2-175.9-60.7147.4000109A1031 R1047 V1048 V1070 L1073 K1074A1031-I1033 HydrophobicContact CB-CD1 4.48Å; A1031-I1033 HydrophobicContact CB-CG1 4.49Å; I1033-R1047 WeakPolarHBondContact CA-O 3.49Å; I1033-V1048 HydrophobicContact CG1-CG1 4.19Å; I1033-V1048 HydrophobicContact CG1-CG2 4.42Å; I1033-V1070 HydrophobicContact CG2-CG1 4.37Å; I1033-V1070 HydrophobicContact CG2-CG2 4.48Å; I1033-L1073 VanDerWaalsContact CD1-C 3.47Å; I1033-L1073 HydrophobicContact CD1-CB 3.7Å; I1033-L1073 WeakPolarHBondContact CD1-O 3.46Å; I1033-L1073 HydrophobicContact CG1-CB 4.35Å; I1033-L1073 HydrophobicContact CG2-CB 4.25Å; I1033-K1074 HydrophobicContact CB-CG 4.09Å; I1033-K1074 HydrophobicContact CD1-CG 4.13Å; I1033-K1074 HydrophobicContact CG2-CG 4.32Å; I1033-K1074 WeakPolarHBondContact O-CE 3.47Å; I1033-K1074 PolarHBondContact O-NZ 3.45Å
1034E88.1Confident83.8Confident118 Ų11875.1 Ų75.155%0.55140%0.4SS*.EExtended strand (participates in β ladder)trans-140.3154.5-172.8-66.1179.3171.800111.3L1046 R1047E1034-L1046 CarbonylContact O-C 3.59Å; E1034-L1046 WeakPolarHBondContact O-CA 3.33Å; E1034-R1047 PolarHBondContact N-O 3.42Å; E1034-R1047 PolarHBondContact O-N 2.87Å
1035I88.3Confident84.3Confident86 Ų8671.3 Ų71.344%0.44138%0.375SS..EExtended strand (participates in β ladder)trans-76128.6169.9-63.1169.5000107.6S1037 M1066 V1070I1035-S1037 PolarHBondContact O-N 3.3Å; I1035-M1066 HydrophobicContact CD1-CE 4.17Å; I1035-M1066 HydrophobicContact CG1-CE 4.37Å; I1035-M1066 HydrophobicContact CG1-SD 4.4Å; I1035-M1066 HydrophobicContact CG2-CE 3.95Å; I1035-M1066 HydrophobicContact CG2-SD 4.04Å; I1035-V1070 HydrophobicContact CG1-CG2 4.11Å
1036A86.1Confident84.7Confident7 Ų769.2 Ų69.26%0.05836%0.36CS..  trans-81.766-17400000111.4D1038 Y1039 V1045 R1047 L1057A1036-D1038 PolarHBondContact O-N 2.84Å; A1036-Y1039 WeakPolarHBondContact O-CB 3.46Å; A1036-Y1039 PolarHBondContact O-N 3.04Å; A1036-V1045 HydrophobicContact CB-CB 4.47Å; A1036-V1045 HydrophobicContact CB-CG1 4.1Å; A1036-V1045 WeakPolarHBondContact CB-O 3.32Å; A1036-V1045 PolarHBondContact N-O 3.33Å; A1036-R1047 HydrophobicContact CB-CB 4.2Å; A1036-L1057 HydrophobicContact CB-CD2 4.35Å
1037S80.7Confident85.1Confident116 Ų11670.8 Ų70.881%0.81137%0.366SS*.THydrogen-bonded Turntrans-62.9-19.9-177.556.20000114.2I1035 Y1039I1035-S1037 PolarHBondContact O-N 3.3Å; S1037-Y1039 VanDerWaalsContact C-N 3.35Å
1038D80.1Confident85.4Confident98 Ų9867.3 Ų67.352%0.52435%0.347SS..THydrogen-bonded Turntrans-78.3-13.5171.861.4-15.5000113.6A1036 T1040 R1047A1036-D1038 PolarHBondContact O-N 2.84Å; D1038-T1040 PolarHBondContact O-N 3.28Å; D1038-R1047 IonicContact OD1-CZ 2.6Å; D1038-R1047 IonicContact OD1-NH1 3.74Å; D1038-R1047 PolarHBondContact OD1-NH1 3.21Å; D1038-R1047 IonicContact OD1-NH2 3.04Å; D1038-R1047 PolarHBondContact OD1-NH2 3.02Å; D1038-R1047 IonicContact OD2-CZ 2.62Å; D1038-R1047 VanDerWaalsContact OD2-CZ 3.3Å; D1038-R1047 IonicContact OD2-NH1 2.68Å; D1038-R1047 PolarHBondContact OD2-NH1 3.16Å; D1038-R1047 IonicContact OD2-NH2 3.14Å; D1038-R1047 PolarHBondContact OD2-NH2 3.24Å
1039Y81.4Confident85.6Confident44 Ų4472.4 Ų72.417%0.17337%0.369CS..  trans-93.583.2-175.2-165.1-96.2000112.8W991 A1036 S1037 K1041 K1042 V1045 L1057W991-Y1039 AromaticContact CZ2-CE1 3.82Å; W991-Y1039 HydrophobicContact CZ2-CE1 3.82Å; W991-Y1039 AromaticContact CZ2-CZ 3.92Å; A1036-Y1039 WeakPolarHBondContact O-CB 3.46Å; A1036-Y1039 PolarHBondContact O-N 3.04Å; S1037-Y1039 VanDerWaalsContact C-N 3.35Å; Y1039-K1041 VanDerWaalsContact C-N 3.3Å; Y1039-K1041 HydrophobicContact CD1-CB 4.5Å; Y1039-K1041 HydrophobicContact CE1-CB 3.83Å; Y1039-K1041 PolarHBondContact O-N 2.67Å; Y1039-K1042 HydrophobicContact CE1-CB 4.16Å; Y1039-V1045 HydrophobicContact CD1-CB 4.38Å; Y1039-V1045 HydrophobicContact CD1-CG1 4.27Å; Y1039-V1045 HydrophobicContact CD1-CG2 4.15Å; Y1039-L1057 HydrophobicContact CD2-CD1 3.97Å; Y1039-L1057 HydrophobicContact CE2-CD1 3.86Å
1040T76.4Confident86Confident132 Ų13268.4 Ų68.481%0.8135%0.351SS*.THydrogen-bonded Turntrans-74-8.2-174.356.90000116.1D1038D1038-T1040 PolarHBondContact O-N 3.28Å
1041K79.7Confident86.1Confident176 Ų17665.8 Ų65.877%0.76535%0.347SS*.THydrogen-bonded Turntrans-79.5-19.1-172.3-67-171.8177.3-173.20114.9Y1039Y1039-K1041 VanDerWaalsContact C-N 3.3Å; Y1039-K1041 HydrophobicContact CD1-CB 4.5Å; Y1039-K1041 HydrophobicContact CE1-CB 3.83Å; Y1039-K1041 PolarHBondContact O-N 2.67Å
1042K83.5Confident86Confident67 Ų6769.4 Ų69.429%0.29137%0.365SS..SBendtrans-148.8141.7177.4-76-179.8154-157.80109W991 Y1039 V1045 Q1059W991-K1042 HydrophobicContact CD2-CD 4.25Å; W991-K1042 HydrophobicContact CH2-CD 4.44Å; W991-K1042 HydrophobicContact CZ2-CD 3.92Å; Y1039-K1042 HydrophobicContact CE1-CB 4.16Å; K1042-V1045 HydrophobicContact CB-CG2 3.77Å; K1042-V1045 WeakPolarHBondContact O-CG2 3.38Å; K1042-Q1059 VanDerWaalsContact CD-OE1 3.32Å
1043K84.7Confident85.7Confident164 Ų16467.3 Ų67.371%0.71335%0.348SS*.SBendtrans-80160.8173.9-61.7-175179-176.40111.2Q1059K1043-Q1059 PolarHBondContact O-NE2 3.24Å
1044H89Confident85.4Confident48 Ų4867 Ų6722%0.22235%0.347CS..SBendtrans58.345.3175.8-38.3-60.5000113.3Q1059 A1060 D1063 M1066H1044-Q1059 WeakPolarHBondContact O-CA 3.5Å; H1044-A1060 PolarHBondContact O-N 3.37Å; H1044-D1063 VanDerWaalsContact CE1-CG 3.49Å; H1044-D1063 IonicContact CE1-OD1 2.7Å; H1044-D1063 PolarHBondContact CE1-OD1 3.36Å; H1044-D1063 IonicContact CE1-OD2 2.75Å; H1044-D1063 PolarHBondContact CE1-OD2 2.91Å; H1044-D1063 IonicContact CG-OD1 2.62Å; H1044-D1063 IonicContact ND1-OD1 3.48Å; H1044-D1063 PolarHBondContact ND1-OD1 2.97Å; H1044-D1063 IonicContact ND1-OD2 2.67Å; H1044-D1063 PolarHBondContact ND1-OD2 3.23Å; H1044-M1066 VanDerWaalsContact CA-SD 3.58Å; H1044-M1066 HydrophobicContact CB-SD 4.33Å
1045V89.9Confident85.4Confident7 Ų762.5 Ų62.54%0.04233%0.326CS..EExtended strand (participates in β ladder)trans-107.5128.9-179.7-178.40000111.1W991 A1036 Y1039 K1042 L1057 L1058 Q1059W991-V1045 HydrophobicContact CH2-CG1 4.11Å; W991-V1045 HydrophobicContact CH2-CG2 4.35Å; A1036-V1045 HydrophobicContact CB-CB 4.47Å; A1036-V1045 HydrophobicContact CB-CG1 4.1Å; A1036-V1045 WeakPolarHBondContact CB-O 3.32Å; A1036-V1045 PolarHBondContact N-O 3.33Å; Y1039-V1045 HydrophobicContact CD1-CB 4.38Å; Y1039-V1045 HydrophobicContact CD1-CG1 4.27Å; Y1039-V1045 HydrophobicContact CD1-CG2 4.15Å; K1042-V1045 HydrophobicContact CB-CG2 3.77Å; K1042-V1045 WeakPolarHBondContact O-CG2 3.38Å; V1045-L1057 HydrophobicContact CG1-CB 4.1Å; V1045-L1057 HydrophobicContact CG1-CD2 4.4Å; V1045-L1058 CarbonylContact C-O 3.52Å; V1045-L1058 WeakPolarHBondContact CA-O 3.42Å; V1045-Q1059 HydrophobicContact CG2-CB 4.14Å; V1045-Q1059 HydrophobicContact CG2-CG 4.2Å
1046L92.6Very high85.6Confident2 Ų258.4 Ų58.41%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-113154170.972.498.3000111E1034 V1048 L1057 L1058 M1066 W1069 V1070 L1073E1034-L1046 CarbonylContact O-C 3.59Å; E1034-L1046 WeakPolarHBondContact O-CA 3.33Å; L1046-V1048 HydrophobicContact CD1-CG2 3.64Å; L1046-L1057 WeakPolarHBondContact O-CA 3.35Å; L1046-L1058 HydrophobicContact CD1-CB 4.19Å; L1046-L1058 HydrophobicContact CD1-CD1 4.13Å; L1046-L1058 HydrophobicContact CG-CB 4.05Å; L1046-L1058 PolarHBondContact N-O 3.23Å; L1046-L1058 PolarHBondContact O-N 2.93Å; L1046-M1066 HydrophobicContact CB-CG 4.38Å; L1046-M1066 HydrophobicContact CD2-CG 4.14Å; L1046-W1069 HydrophobicContact CD2-CB 3.78Å; L1046-V1070 HydrophobicContact CB-CG2 3.98Å; L1046-V1070 HydrophobicContact CD2-CG2 4.07Å; L1046-V1070 HydrophobicContact CG-CG2 4.42Å; L1046-L1073 HydrophobicContact CD1-CD1 4.28Å
1047R92.8Very high85.9Confident64 Ų6458.2 Ų58.224%0.24230%0.303CS..EExtended strand (participates in β ladder)trans-114127.9-177.1177.9178.3-66.9158.63.2109.1I1033 E1034 A1036 D1038 L1055 L1057I1033-R1047 WeakPolarHBondContact CA-O 3.49Å; E1034-R1047 PolarHBondContact N-O 3.42Å; E1034-R1047 PolarHBondContact O-N 2.87Å; A1036-R1047 HydrophobicContact CB-CB 4.2Å; D1038-R1047 IonicContact OD1-CZ 2.6Å; D1038-R1047 IonicContact OD1-NH1 3.74Å; D1038-R1047 PolarHBondContact OD1-NH1 3.21Å; D1038-R1047 IonicContact OD1-NH2 3.04Å; D1038-R1047 PolarHBondContact OD1-NH2 3.02Å; D1038-R1047 IonicContact OD2-CZ 2.62Å; D1038-R1047 VanDerWaalsContact OD2-CZ 3.3Å; D1038-R1047 IonicContact OD2-NH1 2.68Å; D1038-R1047 PolarHBondContact OD2-NH1 3.16Å; D1038-R1047 IonicContact OD2-NH2 3.14Å; D1038-R1047 PolarHBondContact OD2-NH2 3.24Å; R1047-L1055 HydrophobicContact CG-CD1 4.48Å; R1047-L1055 HydrophobicContact CG-CD2 4.49Å; R1047-L1055 HydrophobicContact CG-CG 4.46Å; R1047-L1057 HydrophobicContact CB-CD2 3.91Å; R1047-L1057 HydrophobicContact CG-CD2 4.08Å
1048V92.1Very high86.5Confident0 Ų052.8 Ų52.80%027%0.265CS..EExtended strand (participates in β ladder)trans-117.8117173-175.60000108I1003 L1028 I1033 L1046 L1050 L1055 F1056 L1058 L1073I1003-V1048 HydrophobicContact CD1-CG1 4.47Å; L1028-V1048 HydrophobicContact CD2-CG1 4.32Å; I1033-V1048 HydrophobicContact CG1-CG1 4.19Å; I1033-V1048 HydrophobicContact CG1-CG2 4.42Å; L1046-V1048 HydrophobicContact CD1-CG2 3.64Å; V1048-L1050 HydrophobicContact CG1-CD2 3.75Å; V1048-L1055 WeakPolarHBondContact O-CA 3.4Å; V1048-F1056 PolarHBondContact N-O 2.83Å; V1048-F1056 PolarHBondContact O-N 3.2Å; V1048-L1058 HydrophobicContact CG2-CD1 3.97Å; V1048-L1073 HydrophobicContact CG2-CD1 4.12Å
1049K89.6Confident87.1Confident106 Ų10650.3 Ų50.346%0.46125%0.25SS..EExtended strand (participates in β ladder)trans-116.7116.2175.7-177-175.4178.3-174.60109.3A1031 A1032 A1054 L1055A1031-K1049 CarbonylContact C-O 3.59Å; A1031-K1049 WeakPolarHBondContact CA-O 3.38Å; A1032-K1049 HydrophobicContact CB-CB 4.45Å; A1032-K1049 PolarHBondContact N-O 3.27Å; A1032-K1049 PolarHBondContact O-N 3.45Å; K1049-A1054 WeakPolarHBondContact CA-O 3.36Å; K1049-L1055 HydrophobicContact CB-CD1 4.32Å; K1049-L1055 HydrophobicContact CB-CG 4.49Å; K1049-L1055 HydrophobicContact CD-CD1 4.41Å; K1049-L1055 HydrophobicContact CG-CD1 4.31Å
1050L89.1Confident87.4Confident6 Ų648.5 Ų48.53%0.03125%0.245CC..  trans-85.3161.7-176.1-54.7-173.7000111.9I1003 Y1026 L1028 A1031 V1048 N1052 G1053 A1054 F1056I1003-L1050 HydrophobicContact CD1-CD2 4.42Å; Y1026-L1050 HydrophobicContact CD1-CD1 4.01Å; Y1026-L1050 HydrophobicContact CG-CD1 3.99Å; L1028-L1050 HydrophobicContact CD2-CD2 3.99Å; A1031-L1050 HydrophobicContact CB-CD2 3.7Å; V1048-L1050 HydrophobicContact CG1-CD2 3.75Å; L1050-N1052 WeakPolarHBondContact CB-OD1 3.47Å; L1050-N1052 PolarHBondContact O-N 3.33Å; L1050-G1053 WeakPolarHBondContact O-CA 3.43Å; L1050-G1053 PolarHBondContact O-N 3.02Å; L1050-A1054 HydrophobicContact CB-CB 4.45Å; L1050-A1054 HydrophobicContact CD1-CB 4.3Å; L1050-A1054 PolarHBondContact N-O 3.5Å; L1050-F1056 HydrophobicContact CD1-CE2 3.87Å; L1050-F1056 HydrophobicContact CG-CE2 4.26Å
1051A82.9Confident87.7Confident74 Ų7449.6 Ų49.661%0.61224%0.24SC*.THydrogen-bonded Turntrans-62.5-26.6-179.400000114N1030 G1053N1030-A1051 HydrophobicContact CB-CB 4.38Å; A1051-G1053 PolarHBondContact O-N 3.22Å
1052N80.9Confident88.1Confident86 Ų8644 Ų4446%0.4622%0.219SC..THydrogen-bonded Turntrans-76-0.7172.469.6-3.3000113.7L1050 A1054L1050-N1052 WeakPolarHBondContact CB-OD1 3.47Å; L1050-N1052 PolarHBondContact O-N 3.33Å; N1052-A1054 VanDerWaalsContact OD1-CB 3.25Å; N1052-A1054 WeakPolarHBondContact OD1-CB 3.27Å; N1052-A1054 PolarHBondContact OD1-N 3.45Å
1053G79.9Confident88Confident6 Ų645.1 Ų45.16%0.06223%0.228CC..SBendtrans84.92.3-17900000115.5S981 T982 L1050 A1051S981-G1053 CarbonylContact C-O 3.59Å; T982-G1053 WeakPolarHBondContact OG1-CA 3.34Å; L1050-G1053 WeakPolarHBondContact O-CA 3.43Å; L1050-G1053 PolarHBondContact O-N 3.02Å; A1051-G1053 PolarHBondContact O-N 3.22Å
1054A84.8Confident88Confident0 Ų041.8 Ų41.80%022%0.221CC..  trans-65.3143.3171.900000110.8W979 K1049 L1050 N1052 F1056W979-A1054 CarbonylContact O-C 3.56Å; W979-A1054 WeakPolarHBondContact O-CA 3.4Å; K1049-A1054 WeakPolarHBondContact CA-O 3.36Å; L1050-A1054 HydrophobicContact CB-CB 4.45Å; L1050-A1054 HydrophobicContact CD1-CB 4.3Å; L1050-A1054 PolarHBondContact N-O 3.5Å; N1052-A1054 VanDerWaalsContact OD1-CB 3.25Å; N1052-A1054 WeakPolarHBondContact OD1-CB 3.27Å; N1052-A1054 PolarHBondContact OD1-N 3.45Å; A1054-F1056 HydrophobicContact CB-CE2 4.13Å; A1054-F1056 HydrophobicContact CB-CZ 4.42Å
1055L89.1Confident87.8Confident24 Ų2441.5 Ų41.513%0.12622%0.22CC..EExtended strand (participates in β ladder)trans-136.1126.6-175.9-169.2150.5000112E978 W979 R1047 V1048 K1049 L1057E978-L1055 HydrophobicContact CB-CD2 3.92Å; E978-L1055 HydrophobicContact CG-CD2 4.14Å; E978-L1055 PolarHBondContact N-O 3.36Å; W979-L1055 HydrophobicContact CB-CB 4.13Å; W979-L1055 HydrophobicContact CG-CB 4.45Å; W979-L1055 PolarHBondContact N-O 3.13Å; W979-L1055 PolarHBondContact O-N 2.83Å; R1047-L1055 HydrophobicContact CG-CD1 4.48Å; R1047-L1055 HydrophobicContact CG-CD2 4.49Å; R1047-L1055 HydrophobicContact CG-CG 4.46Å; V1048-L1055 WeakPolarHBondContact O-CA 3.4Å; K1049-L1055 HydrophobicContact CB-CD1 4.32Å; K1049-L1055 HydrophobicContact CB-CG 4.49Å; K1049-L1055 HydrophobicContact CD-CD1 4.41Å; K1049-L1055 HydrophobicContact CG-CD1 4.31Å; L1055-L1057 HydrophobicContact CD2-CD2 4.48Å; L1055-L1057 HydrophobicContact CD2-CG 4.43Å
1056F91.8Very high87.7Confident0 Ų041.6 Ų41.60%022%0.22CC..EExtended strand (participates in β ladder)trans-120.2141.6177.8-52.3-85.1000110.6R975 K976 H977 F1005 Y1026 V1048 L1050 A1054R975-F1056 HydrophobicContact CG-CD1 4.32Å; K976-F1056 WeakPolarHBondContact O-CA 3.2Å; H977-F1056 HydrophobicContact CB-CD1 4.1Å; H977-F1056 HydrophobicContact CB-CE1 4.16Å; H977-F1056 AromaticContact CD2-CD1 3.56Å; H977-F1056 AromaticContact CD2-CE1 3.16Å; H977-F1056 WeakPolarHBondContact CD2-CE1 3.43Å; H977-F1056 AromaticContact CD2-CZ 3.8Å; H977-F1056 AromaticContact CE1-CE1 3.92Å; H977-F1056 AromaticContact CG-CD1 3.91Å; H977-F1056 AromaticContact CG-CE1 3.54Å; H977-F1056 AromaticContact ND1-CE1 3.97Å; H977-F1056 AromaticContact NE2-CE1 3.43Å; H977-F1056 WeakPolarHBondContact NE2-CE1 3.42Å; H977-F1056 AromaticContact NE2-CZ 3.64Å; F1005-F1056 HydrophobicContact CE2-CD1 4.34Å; F1005-F1056 HydrophobicContact CE2-CE1 4.12Å; F1005-F1056 HydrophobicContact CE2-CZ 4.37Å; F1005-F1056 HydrophobicContact CZ-CD1 4.46Å; Y1026-F1056 HydrophobicContact CD1-CZ 4.46Å; Y1026-F1056 HydrophobicContact CD2-CZ 4.14Å; Y1026-F1056 HydrophobicContact CE1-CZ 4.22Å; Y1026-F1056 HydrophobicContact CE2-CE1 4.5Å; Y1026-F1056 AromaticContact CE2-CZ 3.89Å; Y1026-F1056 HydrophobicContact CE2-CZ 3.89Å; Y1026-F1056 HydrophobicContact CG-CZ 4.42Å; Y1026-F1056 AromaticContact CZ-CZ 3.94Å; V1048-F1056 PolarHBondContact N-O 2.83Å; V1048-F1056 PolarHBondContact O-N 3.2Å; L1050-F1056 HydrophobicContact CD1-CE2 3.87Å; L1050-F1056 HydrophobicContact CG-CE2 4.26Å; A1054-F1056 HydrophobicContact CB-CE2 4.13Å; A1054-F1056 HydrophobicContact CB-CZ 4.42Å
1057L92.4Very high87.3Confident2 Ų244.3 Ų44.31%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-106.9129.7162.4-61.3174.5000108R975 K976 E978 W991 A1036 Y1039 V1045 L1046 R1047 L1055R975-L1057 CarbonylContact C-O 3.59Å; R975-L1057 WeakPolarHBondContact CA-O 3.41Å; K976-L1057 HydrophobicContact CB-CB 4.42Å; K976-L1057 PolarHBondContact N-O 2.94Å; K976-L1057 PolarHBondContact O-N 3.31Å; E978-L1057 HydrophobicContact CG-CD1 4.34Å; E978-L1057 HydrophobicContact CG-CG 4.49Å; W991-L1057 HydrophobicContact CH2-CB 3.7Å; W991-L1057 HydrophobicContact CZ2-CB 4.36Å; W991-L1057 HydrophobicContact CZ3-CB 4.32Å; W991-L1057 WeakPolarHBondContact CZ3-O 3.47Å; A1036-L1057 HydrophobicContact CB-CD2 4.35Å; Y1039-L1057 HydrophobicContact CD2-CD1 3.97Å; Y1039-L1057 HydrophobicContact CE2-CD1 3.86Å; V1045-L1057 HydrophobicContact CG1-CB 4.1Å; V1045-L1057 HydrophobicContact CG1-CD2 4.4Å; L1046-L1057 WeakPolarHBondContact O-CA 3.35Å; R1047-L1057 HydrophobicContact CB-CD2 3.91Å; R1047-L1057 HydrophobicContact CG-CD2 4.08Å; L1055-L1057 HydrophobicContact CD2-CD2 4.48Å; L1055-L1057 HydrophobicContact CD2-CG 4.43Å
1058L92.9Very high87Confident2 Ų246.1 Ų46.11%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-121.2125.2-178.1-61.7174.5000108.7V973 R975 M996 F1005 V1045 L1046 V1048V973-L1058 HydrophobicContact CG2-CD2 3.99Å; R975-L1058 HydrophobicContact CB-CD2 3.63Å; R975-L1058 HydrophobicContact CG-CD2 3.58Å; M996-L1058 HydrophobicContact CE-CD1 3.96Å; M996-L1058 HydrophobicContact SD-CD1 3.67Å; M996-L1058 HydrophobicContact SD-CD2 4.41Å; F1005-L1058 HydrophobicContact CE1-CD2 4.11Å; F1005-L1058 HydrophobicContact CZ-CD2 4.47Å; V1045-L1058 CarbonylContact C-O 3.52Å; V1045-L1058 WeakPolarHBondContact CA-O 3.42Å; L1046-L1058 HydrophobicContact CD1-CB 4.19Å; L1046-L1058 HydrophobicContact CD1-CD1 4.13Å; L1046-L1058 HydrophobicContact CG-CB 4.05Å; L1046-L1058 PolarHBondContact N-O 3.23Å; L1046-L1058 PolarHBondContact O-N 2.93Å; V1048-L1058 HydrophobicContact CG2-CD1 3.97Å
1059Q92.7Very high86.9Confident46 Ų4646.3 Ų46.322%0.21525%0.251CS..EExtended strand (participates in β ladder)trans-99.8122.4174.1-175.3-174.612.100109.5T974 W991 K1042 K1043 H1044 V1045T974-Q1059 PolarHBondContact N-O 2.92Å; T974-Q1059 VanDerWaalsContact N-O 3.15Å; T974-Q1059 PolarHBondContact O-N 3.35Å; W991-Q1059 HydrophobicContact CH2-CB 4.47Å; W991-Q1059 HydrophobicContact CZ3-CB 4.01Å; K1042-Q1059 VanDerWaalsContact CD-OE1 3.32Å; K1043-Q1059 PolarHBondContact O-NE2 3.24Å; H1044-Q1059 WeakPolarHBondContact O-CA 3.5Å; V1045-Q1059 HydrophobicContact CG2-CB 4.14Å; V1045-Q1059 HydrophobicContact CG2-CG 4.2Å
1060A87.9Confident86.8Confident7 Ų742 Ų426%0.05823%0.234CC..  trans-90.3171.3170.300000111.1H1044 E1065 M1066H1044-A1060 PolarHBondContact O-N 3.37Å; A1060-E1065 HydrophobicContact CB-CB 4.29Å; A1060-M1066 HydrophobicContact CB-CB 3.92Å
1061H83.6Confident86.6Confident155 Ų15546.3 Ų46.372%0.71826%0.26SS*.SBendtrans-71.9-42.9179-173.4-92.8000112.6E1065H1061-E1065 WeakPolarHBondContact CB-OE2 3.46Å; H1061-E1065 PolarHBondContact N-OE2 3.25Å
1062D87.1Confident86.6Confident59 Ų5944.1 Ų44.132%0.31624%0.241SC..SBendtrans-149.8178.1-178.958.760.9000112.5T1064 E1065 M1066D1062-T1064 VanDerWaalsContact C-N 3.27Å; D1062-T1064 PolarHBondContact O-N 2.99Å; D1062-T1064 WeakPolarHBondContact OD1-CA 3.48Å; D1062-T1064 VanDerWaalsContact OD1-CB 3.26Å; D1062-T1064 WeakPolarHBondContact OD1-CB 3.5Å; D1062-T1064 PolarHBondContact OD1-N 2.98Å; D1062-E1065 PolarHBondContact OD1-N 3.07Å; D1062-M1066 WeakPolarHBondContact O-CB 3.43Å; D1062-M1066 PolarHBondContact O-N 2.95Å
1063D82.1Confident86.9Confident89 Ų8940 Ų4048%0.47622%0.219SC..Hα-helixtrans-68-22.9-179-69-47.4000113.8H1044 M1066 S1067H1044-D1063 VanDerWaalsContact CE1-CG 3.49Å; H1044-D1063 IonicContact CE1-OD1 2.7Å; H1044-D1063 PolarHBondContact CE1-OD1 3.36Å; H1044-D1063 IonicContact CE1-OD2 2.75Å; H1044-D1063 PolarHBondContact CE1-OD2 2.91Å; H1044-D1063 IonicContact CG-OD1 2.62Å; H1044-D1063 IonicContact ND1-OD1 3.48Å; H1044-D1063 PolarHBondContact ND1-OD1 2.97Å; H1044-D1063 IonicContact ND1-OD2 2.67Å; H1044-D1063 PolarHBondContact ND1-OD2 3.23Å; D1063-M1066 VanDerWaalsContact OD1-CE 3.25Å; D1063-M1066 WeakPolarHBondContact OD1-CE 3.41Å; D1063-S1067 VanDerWaalsContact O-CB 3.31Å; D1063-S1067 WeakPolarHBondContact O-CB 3.49Å; D1063-S1067 PolarHBondContact O-N 3.02Å; D1063-S1067 VanDerWaalsContact O-N 3.09Å; D1063-S1067 PolarHBondContact O-OG 3.17Å
1064T84.9Confident87.1Confident94 Ų9444 Ų4458%0.57724%0.235SC*.Hα-helixtrans-75.7-49.2177.7-51.10000109.6D1062 S1067 Q1068D1062-T1064 VanDerWaalsContact C-N 3.27Å; D1062-T1064 PolarHBondContact O-N 2.99Å; D1062-T1064 WeakPolarHBondContact OD1-CA 3.48Å; D1062-T1064 VanDerWaalsContact OD1-CB 3.26Å; D1062-T1064 WeakPolarHBondContact OD1-CB 3.5Å; D1062-T1064 PolarHBondContact OD1-N 2.98Å; T1064-S1067 PolarHBondContact O-N 3.21Å; T1064-Q1068 WeakPolarHBondContact O-CG 3.33Å; T1064-Q1068 PolarHBondContact O-N 3.28Å
1065E84.7Confident86.9Confident42 Ų4247.4 Ų47.420%0.19626%0.262CS..Hα-helixtrans-62.8-42.1175.3-160.3-155.9173.600111.3A1060 H1061 D1062 S1067 Q1068 W1069A1060-E1065 HydrophobicContact CB-CB 4.29Å; H1061-E1065 WeakPolarHBondContact CB-OE2 3.46Å; H1061-E1065 PolarHBondContact N-OE2 3.25Å; D1062-E1065 PolarHBondContact OD1-N 3.07Å; E1065-S1067 VanDerWaalsContact C-N 3.3Å; E1065-S1067 PolarHBondContact O-N 3.3Å; E1065-Q1068 PolarHBondContact O-N 3.25Å; E1065-W1069 VanDerWaalsContact O-CD1 3.25Å; E1065-W1069 PolarHBondContact O-N 3.24Å; E1065-W1069 PolarHBondContact OE1-NE1 3.46Å
1066M86.8Confident86.3Confident10 Ų1047.2 Ų47.25%0.04926%0.261CS..Hα-helixtrans-58.5-41.7174.6-178.1172.267.200112I1035 H1044 L1046 A1060 D1062 D1063 W1069 V1070I1035-M1066 HydrophobicContact CD1-CE 4.17Å; I1035-M1066 HydrophobicContact CG1-CE 4.37Å; I1035-M1066 HydrophobicContact CG1-SD 4.4Å; I1035-M1066 HydrophobicContact CG2-CE 3.95Å; I1035-M1066 HydrophobicContact CG2-SD 4.04Å; H1044-M1066 VanDerWaalsContact CA-SD 3.58Å; H1044-M1066 HydrophobicContact CB-SD 4.33Å; L1046-M1066 HydrophobicContact CB-CG 4.38Å; L1046-M1066 HydrophobicContact CD2-CG 4.14Å; A1060-M1066 HydrophobicContact CB-CB 3.92Å; D1062-M1066 WeakPolarHBondContact O-CB 3.43Å; D1062-M1066 PolarHBondContact O-N 2.95Å; D1063-M1066 VanDerWaalsContact OD1-CE 3.25Å; D1063-M1066 WeakPolarHBondContact OD1-CE 3.41Å; M1066-W1069 PolarHBondContact O-N 3.15Å; M1066-V1070 WeakPolarHBondContact O-CG2 3.4Å; M1066-V1070 PolarHBondContact O-N 3.28Å
1067S85.7Confident85.5Confident58 Ų5847.6 Ų47.641%0.40626%0.264SS..Hα-helixtrans-68-36.6178.2-610000112.2D1063 T1064 E1065 T1071D1063-S1067 VanDerWaalsContact O-CB 3.31Å; D1063-S1067 WeakPolarHBondContact O-CB 3.49Å; D1063-S1067 PolarHBondContact O-N 3.02Å; D1063-S1067 VanDerWaalsContact O-N 3.09Å; D1063-S1067 PolarHBondContact O-OG 3.17Å; T1064-S1067 PolarHBondContact O-N 3.21Å; E1065-S1067 VanDerWaalsContact C-N 3.3Å; E1065-S1067 PolarHBondContact O-N 3.3Å; S1067-T1071 WeakPolarHBondContact O-CB 3.44Å; S1067-T1071 PolarHBondContact O-N 3.11Å; S1067-T1071 PolarHBondContact O-OG1 3.33Å
1068Q85.9Confident84.3Confident103 Ų10353.4 Ų53.448%0.48130%0.295SS..Hα-helixtrans-64.3-47.8173-69.9172.811.600111.3T1064 E1065 V1070 T1071 S1072T1064-Q1068 WeakPolarHBondContact O-CG 3.33Å; T1064-Q1068 PolarHBondContact O-N 3.28Å; E1065-Q1068 PolarHBondContact O-N 3.25Å; Q1068-V1070 PolarHBondContact O-N 3Å; Q1068-T1071 PolarHBondContact O-N 3.33Å; Q1068-S1072 WeakPolarHBondContact O-CB 3.35Å; Q1068-S1072 PolarHBondContact O-N 3.15Å
1069W89.3Confident82.6Confident3 Ų356.7 Ų56.71%0.01132%0.318CS..Hα-helixtrans-59.7-46.5176.2-81.2115.7000112.7H969 V973 M996 L1046 E1065 M1066 T1071 S1072 L1073H969-W1069 HydrophobicContact CB-CZ3 4.18Å; H969-W1069 AromaticContact CD2-CD2 3.62Å; H969-W1069 AromaticContact CD2-CE3 3.22Å; H969-W1069 AromaticContact CD2-CH2 3.86Å; H969-W1069 AromaticContact CD2-CZ3 3.32Å; H969-W1069 WeakPolarHBondContact CD2-CZ3 3.43Å; H969-W1069 AromaticContact CG-CZ3 3.85Å; H969-W1069 AromaticContact NE2-CD2 3.67Å; H969-W1069 AromaticContact NE2-CE2 3.89Å; H969-W1069 AromaticContact NE2-CE3 3.81Å; V973-W1069 HydrophobicContact CG1-CZ2 4.07Å; M996-W1069 HydrophobicContact CE-CD2 3.83Å; M996-W1069 HydrophobicContact CE-CE3 3.24Å; M996-W1069 HydrophobicContact CE-CH2 3.63Å; M996-W1069 HydrophobicContact CE-CZ2 4.13Å; M996-W1069 HydrophobicContact CE-CZ3 3.16Å; L1046-W1069 HydrophobicContact CD2-CB 3.78Å; E1065-W1069 VanDerWaalsContact O-CD1 3.25Å; E1065-W1069 PolarHBondContact O-N 3.24Å; E1065-W1069 PolarHBondContact OE1-NE1 3.46Å; M1066-W1069 PolarHBondContact O-N 3.15Å; W1069-T1071 VanDerWaalsContact C-N 3.34Å; W1069-T1071 PolarHBondContact O-N 3.43Å; W1069-S1072 PolarHBondContact O-N 3.25Å; W1069-L1073 HydrophobicContact CE3-CG 4.48Å; W1069-L1073 VanDerWaalsContact O-CB 3.31Å; W1069-L1073 WeakPolarHBondContact O-CB 3.18Å; W1069-L1073 WeakPolarHBondContact O-CG 3.25Å; W1069-L1073 PolarHBondContact O-N 3.26Å
1070V87.5Confident80Confident16 Ų1659.4 Ų59.410%0.09734%0.338CS..Hα-helixtrans-62.5-41.1177.2170.90000111.4I1033 I1035 L1046 M1066 Q1068 K1074I1033-V1070 HydrophobicContact CG2-CG1 4.37Å; I1033-V1070 HydrophobicContact CG2-CG2 4.48Å; I1035-V1070 HydrophobicContact CG1-CG2 4.11Å; L1046-V1070 HydrophobicContact CB-CG2 3.98Å; L1046-V1070 HydrophobicContact CD2-CG2 4.07Å; L1046-V1070 HydrophobicContact CG-CG2 4.42Å; M1066-V1070 WeakPolarHBondContact O-CG2 3.4Å; M1066-V1070 PolarHBondContact O-N 3.28Å; Q1068-V1070 PolarHBondContact O-N 3Å; V1070-K1074 HydrophobicContact CG1-CD 4.12Å; V1070-K1074 WeakPolarHBondContact O-CB 3.5Å; V1070-K1074 VanDerWaalsContact O-CG 3.29Å; V1070-K1074 WeakPolarHBondContact O-CG 3.48Å; V1070-K1074 PolarHBondContact O-N 3.22Å
1071T85.9Confident77.4Confident96 Ų9663.7 Ų63.759%0.58937%0.373SS*.Hα-helixtrans-66.6-47179.5-560000111.4S1067 Q1068 W1069 K1074 A1075S1067-T1071 WeakPolarHBondContact O-CB 3.44Å; S1067-T1071 PolarHBondContact O-N 3.11Å; S1067-T1071 PolarHBondContact O-OG1 3.33Å; Q1068-T1071 PolarHBondContact O-N 3.33Å; W1069-T1071 VanDerWaalsContact C-N 3.34Å; W1069-T1071 PolarHBondContact O-N 3.43Å; T1071-K1074 PolarHBondContact O-N 3.1Å; T1071-A1075 WeakPolarHBondContact O-CB 3.38Å; T1071-A1075 PolarHBondContact O-N 3.36Å
1072S83.5Confident74.9Confident28 Ų2862.7 Ų62.720%0.19638%0.377CS..Hα-helixtrans-68-42.8-178.6-173.10000112.7H969 Q1068 W1069 K1074 A1075 Q1076H969-S1072 WeakPolarHBondContact CB-OG 3.48Å; Q1068-S1072 WeakPolarHBondContact O-CB 3.35Å; Q1068-S1072 PolarHBondContact O-N 3.15Å; W1069-S1072 PolarHBondContact O-N 3.25Å; S1072-K1074 VanDerWaalsContact C-N 3.33Å; S1072-K1074 PolarHBondContact O-N 2.91Å; S1072-A1075 PolarHBondContact O-N 2.92Å; S1072-Q1076 WeakPolarHBondContact O-CG 3.41Å; S1072-Q1076 PolarHBondContact O-N 3.16Å; S1072-Q1076 VanDerWaalsContact O-N 3.13Å
1073L86.4Confident72.2Confident1 Ų164.2 Ų64.21%0.00540%0.398CS..Hα-helixtrans-65.1-37.4178.9-69170.8000111.6M996 A998 I1003 L1028 I1033 L1046 V1048 W1069 Q1076 S1077M996-L1073 HydrophobicContact CE-CD1 4.39Å; A998-L1073 HydrophobicContact CB-CD2 3.66Å; I1003-L1073 HydrophobicContact CG2-CD2 3.68Å; L1028-L1073 HydrophobicContact CD1-CD2 3.91Å; I1033-L1073 VanDerWaalsContact CD1-C 3.47Å; I1033-L1073 HydrophobicContact CD1-CB 3.7Å; I1033-L1073 WeakPolarHBondContact CD1-O 3.46Å; I1033-L1073 HydrophobicContact CG1-CB 4.35Å; I1033-L1073 HydrophobicContact CG2-CB 4.25Å; L1046-L1073 HydrophobicContact CD1-CD1 4.28Å; V1048-L1073 HydrophobicContact CG2-CD1 4.12Å; W1069-L1073 HydrophobicContact CE3-CG 4.48Å; W1069-L1073 VanDerWaalsContact O-CB 3.31Å; W1069-L1073 WeakPolarHBondContact O-CB 3.18Å; W1069-L1073 WeakPolarHBondContact O-CG 3.25Å; W1069-L1073 PolarHBondContact O-N 3.26Å; L1073-Q1076 PolarHBondContact O-N 3.14Å; L1073-S1077 PolarHBondContact O-N 3.34Å
1074K84.6Confident69.6Low90 Ų9064.8 Ų64.839%0.39142%0.416SS..Hα-helixtrans-67.4-41.8174-74.8-179.5177-174.10112.6I1033 V1070 T1071 S1072 Q1076 S1077 D1078I1033-K1074 HydrophobicContact CB-CG 4.09Å; I1033-K1074 HydrophobicContact CD1-CG 4.13Å; I1033-K1074 HydrophobicContact CG2-CG 4.32Å; I1033-K1074 WeakPolarHBondContact O-CE 3.47Å; I1033-K1074 PolarHBondContact O-NZ 3.45Å; V1070-K1074 HydrophobicContact CG1-CD 4.12Å; V1070-K1074 WeakPolarHBondContact O-CB 3.5Å; V1070-K1074 VanDerWaalsContact O-CG 3.29Å; V1070-K1074 WeakPolarHBondContact O-CG 3.48Å; V1070-K1074 PolarHBondContact O-N 3.22Å; T1071-K1074 PolarHBondContact O-N 3.1Å; S1072-K1074 VanDerWaalsContact C-N 3.33Å; S1072-K1074 PolarHBondContact O-N 2.91Å; K1074-Q1076 PolarHBondContact O-N 3.02Å; K1074-Q1076 VanDerWaalsContact O-N 3.16Å; K1074-S1077 WeakPolarHBondContact CA-OG 3.47Å; K1074-S1077 PolarHBondContact O-N 3.18Å; K1074-S1077 PolarHBondContact O-OG 3.23Å; K1074-D1078 PolarHBondContact O-N 3.31Å
1075A80.8Confident66.9Low70 Ų7065.1 Ų65.158%0.57942%0.422SS*.Hα-helixtrans-59.6-26.7174.100000112.7T1071 S1072T1071-A1075 WeakPolarHBondContact O-CB 3.38Å; T1071-A1075 PolarHBondContact O-N 3.36Å; S1072-A1075 PolarHBondContact O-N 2.92Å
1076Q74.8Confident64.2Low20 Ų2073.9 Ų73.99%0.09345%0.453CS..Hα-helixtrans-90.8-22.7176.4-67.7-170.555.400114.8A998 K999 L1028 S1072 L1073 K1074 D1078 S1079A998-Q1076 PolarHBondContact O-NE2 2.82Å; A998-Q1076 PolarHBondContact O-OE1 3.13Å; K999-Q1076 VanDerWaalsContact N-OE1 3.09Å; L1028-Q1076 HydrophobicContact CD1-CB 3.81Å; S1072-Q1076 WeakPolarHBondContact O-CG 3.41Å; S1072-Q1076 PolarHBondContact O-N 3.16Å; S1072-Q1076 VanDerWaalsContact O-N 3.13Å; L1073-Q1076 PolarHBondContact O-N 3.14Å; K1074-Q1076 PolarHBondContact O-N 3.02Å; K1074-Q1076 VanDerWaalsContact O-N 3.16Å; Q1076-D1078 VanDerWaalsContact C-N 3.3Å; Q1076-S1079 PolarHBondContact O-OG 2.82Å
1077S76.7Confident61.4Low9 Ų978.2 Ų78.26%0.06348%0.484CS..Hα-helixtrans-71-28.2173.659.40000113L1028 L1073 K1074L1028-S1077 WeakPolarHBondContact O-CB 3.31Å; L1073-S1077 PolarHBondContact O-N 3.34Å; K1074-S1077 WeakPolarHBondContact CA-OG 3.47Å; K1074-S1077 PolarHBondContact O-N 3.18Å; K1074-S1077 PolarHBondContact O-OG 3.23Å
1078D66.6Low58.7Low124 Ų12484.1 Ų84.166%0.66351%0.505SS*.SBendtrans-95.7-8.3-170-62.83.3000112.9K1074 Q1076K1074-D1078 PolarHBondContact O-N 3.31Å; Q1076-D1078 VanDerWaalsContact C-N 3.3Å
1079S56Low56Low71 Ų7185.2 Ų85.250%0.49752%0.519SS..  trans-76.2123179.366.40000112.4Q1076Q1076-S1079 PolarHBondContact O-OG 2.82Å
1080T39.5Very low53.4Low103 Ų10392.6 Ų92.663%0.63256%0.558SS**  trans-137.3148.2179.1170000114.9
1081A33.5Very low51.3Low96 Ų9697.6 Ų97.679%0.79359%0.591SS**  trans73.8135.2177.900000115.8
1082V31.4Very low48.5Very low134 Ų13496.9 Ų96.981%0.81259%0.594SS**  cis-155.4130.449.3164.50000113.8
1083A28.9Very low45.9Very low92 Ų92101.5 Ų101.576%0.7662%0.622SS**  trans44.5145.1142.400000126.8
1084A28.7Very low43.3Very low101 Ų101106.2 Ų106.284%0.83566%0.655SS**  trans79.7158.3145.200000120.3
1085S27.1Very low40.8Very low101 Ų101109.5 Ų109.571%0.70667%0.672SS**  cis176.3156.2-32.8-173.70000108.2
1086R29.4Very low38.3Very low226 Ų226114.3 Ų114.385%0.85368%0.679SS**  trans73.1127.9175.2-60.4176.9175.6170.1-1.6115.3
1087S27.8Very low36.1Very low101 Ų101120.6 Ų120.671%0.70671%0.714SS**  cis9414031.477.50000114.6
1088Q28.2Very low33.8Very low182 Ų182126.6 Ų126.685%0.8574%0.741SS**  trans104.2138.1178-73.1-170.2-18.500115.3
1089T28.9Very low32.5Very low125 Ų125125.6 Ų125.677%0.76774%0.741SS**  cis-161155-22.2-1.80000110.1
1090L34.5Very low31.2Very low159 Ų159129.8 Ų129.883%0.83275%0.75SS**  trans-82160.7159.3-67.9167.1000110.3
1091P43.7Very low30.7Very low120 Ų120133.3 Ų133.378%0.77975%0.752SS**  -130.1144.487.36.816.7000112.9
1092A27.3Very low30.4Very low81 Ų81139.6 Ų139.667%0.66976%0.755SS**  78.8146.572.400000113.2
1093T29.2Very low30.1Very low125 Ų125137.6 Ų137.677%0.76775%0.747SS**  cis-159.6167.311.7-24.50000111.8
1094S32Very low30.1Very low101 Ų101141.7 Ų141.771%0.70675%0.748SS**  trans77.8153.2144.476.70000119
1095Q31.4Very low30Very low158 Ų158144.8 Ų144.874%0.73874%0.743SS**  cis-153.7139.2-10.9-124.8170.835.800111.6
1096K29.7Very low30.1Very low171 Ų171145 Ų14574%0.74374%0.74SS**  trans53.4145.9133.3-76.5-179-174.4-179.60120.9
1097D28.7Very low30.1Very low153 Ų153141.3 Ų141.382%0.81874%0.737SS**  cis-132.9150.337.6-99.7-44.4000117.9
1098E27.2Very low30.1Very low134 Ų134145.1 Ų145.163%0.62674%0.74SS**  trans-83.2178.7159-116.5-168.6161.800108.5
1099P39.6Very low30.3Very low104 Ų104145.6 Ų145.668%0.67574%0.74SS**  cis-144.5-173.133.422.57000114.2
1100K28.9Very low30.5Very low158 Ų158153.2 Ų153.269%0.68776%0.762SS**  cis-160.3135-12.1-113159.7-166.9167.90110.1
1101R28.4Very low30.3Very low178 Ų178152.9 Ų152.967%0.67276%0.759SS**  56.3120.5127.9-67.6-174.7-177.3-162.4-1.5120.8
1102R27.3Very low29.6Very low228 Ų228154.6 Ų154.686%0.8676%0.758SS**  71146.386.8-67.5-177.9175.7-169.8-2.1112.9
1103S25.7Very low29.7Very low91 Ų91158.7 Ų158.764%0.63676%0.762SS**  cis-171.3149.220104.80000114.1
1104F27.7Very low29.8Very low179 Ų179160.7 Ų160.779%0.78576%0.762SS**  trans63.6145142.4-82.9-72.4000125.9
1105F28Very low29.6Very low166 Ų166164.4 Ų164.473%0.72877%0.766SS**  trans68.3100.1150.1-86.1-76.1000122.6
1106T28.5Very low29.5Very low105 Ų105164.9 Ų164.964%0.64477%0.768SS**  42.8131.9129.366.40000122.4
1107L28.6Very low29.5Very low149 Ų149164.4 Ų164.478%0.7877%0.769SS**  177.4144.898.7-101.4147.9000114.3
1108K29.1Very low29.5Very low180 Ų180165.3 Ų165.378%0.78377%0.765SS**  trans65.3115.5152.3-81.7171.3179.5176.40122.2
1109K32.6Very low29.7Very low193 Ų193167.9 Ų167.984%0.83978%0.777SS**  54.4114.5127.2-70.7-172168.4-166.70119.5
1110K32.3Very low28.8Very low284 Ų284173.7 Ų173.7100%1.23579%0.786SS**  -119.6085.1-109.3179.1177.8177.50109.2

Retrieved 1,110 of 1,110 residues in 398.2 ms (Link to these results)

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