A0A077Z4Y5_TRITR Loading...

Protein lin isoform c protein lin isoform b pro tein lin isoform a

AlphaFold DB , UniProt , Accession A0A077Z4Y5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 328 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
1M65.4Low80.7Confident221 Ų221105.8 Ų105.8100%1.08954%0.537SS*.  0158.90-85.8160.8146.500107.6
2F79.9Confident80.4Confident92 Ų92102.4 Ų102.440%0.40453%0.525SS..  trans-99.7138.3167.6-61.7-82.2000107S4 E7 L8 H11F2-S4 VanDerWaalsContact C-N 3.26Å; F2-E7 HydrophobicContact CB-CB 4.29Å; F2-E7 HydrophobicContact CD1-CB 4.14Å; F2-L8 HydrophobicContact CB-CB 4.12Å; F2-L8 HydrophobicContact CD2-CB 4.06Å; F2-L8 HydrophobicContact CD2-CD1 3.58Å; F2-L8 HydrophobicContact CD2-CG 4.35Å; F2-L8 HydrophobicContact CE2-CD1 3.72Å; F2-L8 HydrophobicContact CG-CB 4.07Å; F2-L8 HydrophobicContact CG-CD1 4.4Å; F2-H11 HydrophobicContact CD1-CB 4.39Å; F2-H11 HydrophobicContact CE1-CB 3.62Å; F2-H11 AromaticContact CE1-CG 3.59Å; F2-H11 AromaticContact CE1-ND1 3.84Å; F2-H11 HydrophobicContact CE2-CB 4.49Å; F2-H11 AromaticContact CE2-CD2 3.79Å; F2-H11 HydrophobicContact CZ-CB 3.71Å; F2-H11 AromaticContact CZ-CD2 3.28Å; F2-H11 WeakPolarHBondContact CZ-CD2 3.42Å; F2-H11 AromaticContact CZ-CE1 3.75Å; F2-H11 AromaticContact CZ-CG 3.23Å; F2-H11 AromaticContact CZ-ND1 3.55Å; F2-H11 AromaticContact CZ-NE2 3.61Å
3D83.3Confident79.8Confident156 Ų156100 Ų10083%0.83451%0.51SS*.SBendtrans-83.3-12.7-174.7-59.4-32.1000110.9E7D3-E7 PolarHBondContact N-OE2 3.32Å; D3-E7 VanDerWaalsContact N-OE2 3.16Å
4S88.1Confident79.2Confident48 Ų4899.4 Ų99.434%0.33651%0.514SS..SBendtrans-138.9156.2170.969.50000114.6F2 A6 E7 L8F2-S4 VanDerWaalsContact C-N 3.26Å; S4-A6 PolarHBondContact O-N 3.5Å; S4-E7 PolarHBondContact N-OE2 3.34Å; S4-E7 PolarHBondContact O-N 2.98Å; S4-E7 WeakPolarHBondContact OG-CB 3.46Å; S4-E7 WeakPolarHBondContact OG-CG 3.39Å; S4-E7 PolarHBondContact OG-N 3.25Å; S4-E7 VanDerWaalsContact OG-N 3.12Å; S4-E7 PolarHBondContact OG-OE2 2.87Å; S4-E7 VanDerWaalsContact OG-OE2 3.11Å; S4-L8 PolarHBondContact O-N 3.4Å
5K85.6Confident78.7Confident163 Ų163101.1 Ų101.171%0.70952%0.518SS*.Hα-helixtrans-61-33.2170.4-175178.4177.9-177.50112.3L8 Q9K5-L8 PolarHBondContact O-N 3.04Å; K5-Q9 WeakPolarHBondContact O-CG 3.48Å; K5-Q9 PolarHBondContact O-N 3.3Å
6A83.1Confident77.9Confident55 Ų55102.7 Ų102.746%0.45553%0.525SS..Hα-helixtrans-67.3-43.6178.500000111.9S4 L8 Q9 I10S4-A6 PolarHBondContact O-N 3.5Å; A6-L8 VanDerWaalsContact C-N 3.34Å; A6-L8 PolarHBondContact O-N 3.12Å; A6-Q9 PolarHBondContact O-N 3.08Å; A6-I10 WeakPolarHBondContact O-CG1 3.32Å; A6-I10 PolarHBondContact O-N 3.23Å
7E81.5Confident76.7Confident89 Ų89110.3 Ų110.342%0.41655%0.545SS..Hα-helixtrans-62.7-40.7173.2-73.2165.2155.200112.1F2 D3 S4 I10 H11F2-E7 HydrophobicContact CB-CB 4.29Å; F2-E7 HydrophobicContact CD1-CB 4.14Å; D3-E7 PolarHBondContact N-OE2 3.32Å; D3-E7 VanDerWaalsContact N-OE2 3.16Å; S4-E7 PolarHBondContact N-OE2 3.34Å; S4-E7 PolarHBondContact O-N 2.98Å; S4-E7 WeakPolarHBondContact OG-CB 3.46Å; S4-E7 WeakPolarHBondContact OG-CG 3.39Å; S4-E7 PolarHBondContact OG-N 3.25Å; S4-E7 VanDerWaalsContact OG-N 3.12Å; S4-E7 PolarHBondContact OG-OE2 2.87Å; S4-E7 VanDerWaalsContact OG-OE2 3.11Å; E7-I10 PolarHBondContact O-N 3.29Å; E7-H11 VanDerWaalsContact O-CB 3.29Å; E7-H11 WeakPolarHBondContact O-CB 3.41Å; E7-H11 PolarHBondContact O-N 3.25Å
8L83.2Confident75.9Confident77 Ų77114.5 Ų114.540%0.40356%0.563SS.*Hα-helixtrans-61.6-42.1174.1176.360.7000111.5F2 S4 K5 A6 H11 T12F2-L8 HydrophobicContact CB-CB 4.12Å; F2-L8 HydrophobicContact CD2-CB 4.06Å; F2-L8 HydrophobicContact CD2-CD1 3.58Å; F2-L8 HydrophobicContact CD2-CG 4.35Å; F2-L8 HydrophobicContact CE2-CD1 3.72Å; F2-L8 HydrophobicContact CG-CB 4.07Å; F2-L8 HydrophobicContact CG-CD1 4.4Å; S4-L8 PolarHBondContact O-N 3.4Å; K5-L8 PolarHBondContact O-N 3.04Å; A6-L8 VanDerWaalsContact C-N 3.34Å; A6-L8 PolarHBondContact O-N 3.12Å; L8-H11 WeakPolarHBondContact O-CB 3.36Å; L8-H11 PolarHBondContact O-N 3.36Å; L8-T12 HydrophobicContact CD1-CG2 4.18Å; L8-T12 WeakPolarHBondContact O-CG2 3.31Å; L8-T12 PolarHBondContact O-N 2.81Å; L8-T12 PolarHBondContact O-OG1 2.89Å
9Q80.6Confident75.4Confident113 Ų113110.3 Ų110.353%0.52855%0.549SS..Hα-helixtrans-65.1-41.5175.7-77.3-179.4-53.300112.8K5 A6 H11 T12 Q13K5-Q9 WeakPolarHBondContact O-CG 3.48Å; K5-Q9 PolarHBondContact O-N 3.3Å; A6-Q9 PolarHBondContact O-N 3.08Å; Q9-H11 VanDerWaalsContact C-N 3.28Å; Q9-H11 PolarHBondContact O-N 2.84Å; Q9-T12 PolarHBondContact O-N 3.06Å; Q9-T12 PolarHBondContact O-OG1 2.95Å; Q9-Q13 WeakPolarHBondContact O-CG 3.41Å; Q9-Q13 PolarHBondContact O-N 3.09Å
10I76.2Confident75.5Confident78 Ų78110.4 Ų110.440%0.455%0.546SS..Hα-helixtrans-64.4-37.5174.2-65.8165.9000110A6 E7 V14 N33A6-I10 WeakPolarHBondContact O-CG1 3.32Å; A6-I10 PolarHBondContact O-N 3.23Å; E7-I10 PolarHBondContact O-N 3.29Å; I10-V14 WeakPolarHBondContact O-CG2 3.44Å; I10-N33 HydrophobicContact CG2-CB 4.35Å
11H81.2Confident75.7Confident72 Ų72108 Ų10833%0.33354%0.539SS..Hα-helixtrans-67-43.5176.8178.179.8000112.8F2 E7 L8 Q9 Q13 V14 H15F2-H11 HydrophobicContact CD1-CB 4.39Å; F2-H11 HydrophobicContact CE1-CB 3.62Å; F2-H11 AromaticContact CE1-CG 3.59Å; F2-H11 AromaticContact CE1-ND1 3.84Å; F2-H11 HydrophobicContact CE2-CB 4.49Å; F2-H11 AromaticContact CE2-CD2 3.79Å; F2-H11 HydrophobicContact CZ-CB 3.71Å; F2-H11 AromaticContact CZ-CD2 3.28Å; F2-H11 WeakPolarHBondContact CZ-CD2 3.42Å; F2-H11 AromaticContact CZ-CE1 3.75Å; F2-H11 AromaticContact CZ-CG 3.23Å; F2-H11 AromaticContact CZ-ND1 3.55Å; F2-H11 AromaticContact CZ-NE2 3.61Å; E7-H11 VanDerWaalsContact O-CB 3.29Å; E7-H11 WeakPolarHBondContact O-CB 3.41Å; E7-H11 PolarHBondContact O-N 3.25Å; L8-H11 WeakPolarHBondContact O-CB 3.36Å; L8-H11 PolarHBondContact O-N 3.36Å; Q9-H11 VanDerWaalsContact C-N 3.28Å; Q9-H11 PolarHBondContact O-N 2.84Å; H11-Q13 VanDerWaalsContact C-N 3.29Å; H11-Q13 PolarHBondContact O-N 3.49Å; H11-V14 WeakPolarHBondContact O-CB 3.49Å; H11-V14 PolarHBondContact O-N 3.05Å; H11-H15 AromaticContact CD2-CD2 3.88Å; H11-H15 AromaticContact CD2-NE2 3.61Å; H11-H15 AromaticContact CE1-NE2 3.33Å; H11-H15 PolarHBondContact CE1-NE2 2.78Å; H11-H15 VanDerWaalsContact CE1-NE2 3.33Å; H11-H15 AromaticContact NE2-CD2 3.64Å; H11-H15 AromaticContact NE2-NE2 2.91Å; H11-H15 PolarHBondContact NE2-NE2 3.04Å; H11-H15 PolarHBondContact O-CD2 3.3Å
12T76.3Confident76.5Confident65 Ų65101.7 Ų101.740%0.39950%0.503SS..Hα-helixtrans-64.9-33.3178.3530000112.1L8 Q9 V14 H15 M16L8-T12 HydrophobicContact CD1-CG2 4.18Å; L8-T12 WeakPolarHBondContact O-CG2 3.31Å; L8-T12 PolarHBondContact O-N 2.81Å; L8-T12 PolarHBondContact O-OG1 2.89Å; Q9-T12 PolarHBondContact O-N 3.06Å; Q9-T12 PolarHBondContact O-OG1 2.95Å; T12-V14 PolarHBondContact O-N 3.07Å; T12-H15 PolarHBondContact O-N 3.48Å; T12-M16 PolarHBondContact O-N 3.23Å
13Q73.1Confident76.7Confident71 Ų71104.7 Ų104.733%0.33252%0.516SS..Hα-helixtrans-60.3-25.1171-74.3-179.1-1300113.6Q9 H11 H15 A32Q9-Q13 WeakPolarHBondContact O-CG 3.41Å; Q9-Q13 PolarHBondContact O-N 3.09Å; H11-Q13 VanDerWaalsContact C-N 3.29Å; H11-Q13 PolarHBondContact O-N 3.49Å; Q13-H15 VanDerWaalsContact C-N 3.34Å; Q13-A32 PolarHBondContact OE1-O 2.9Å
14V70.8Confident76.9Confident92 Ų9298 Ų9856%0.55848%0.481SS*.Hα-helixtrans-72.6-28.5175-168.70000112I10 H11 T12 A32I10-V14 WeakPolarHBondContact O-CG2 3.44Å; H11-V14 WeakPolarHBondContact O-CB 3.49Å; H11-V14 PolarHBondContact O-N 3.05Å; T12-V14 PolarHBondContact O-N 3.07Å; V14-A32 HydrophobicContact CG2-CB 4.47Å
15H72.5Confident76.8Confident124 Ų124100.1 Ų100.157%0.57450%0.496SS*.Hα-helixtrans-84.4-29179-65.2-66.2000113.2H11 T12 Q13 R17H11-H15 AromaticContact CD2-CD2 3.88Å; H11-H15 AromaticContact CD2-NE2 3.61Å; H11-H15 AromaticContact CE1-NE2 3.33Å; H11-H15 PolarHBondContact CE1-NE2 2.78Å; H11-H15 VanDerWaalsContact CE1-NE2 3.33Å; H11-H15 AromaticContact NE2-CD2 3.64Å; H11-H15 AromaticContact NE2-NE2 2.91Å; H11-H15 PolarHBondContact NE2-NE2 3.04Å; H11-H15 PolarHBondContact O-CD2 3.3Å; T12-H15 PolarHBondContact O-N 3.48Å; Q13-H15 VanDerWaalsContact C-N 3.34Å; H15-R17 PolarHBondContact O-N 3.13Å
16M65.9Low76.8Confident127 Ų12797.9 Ų97.963%0.62649%0.488SS*.SBendtrans-71.798.5173.4-63-168.582.900109.2T12 E18 A19T12-M16 PolarHBondContact O-N 3.23Å; M16-E18 PolarHBondContact O-N 3.45Å; M16-A19 HydrophobicContact CB-CB 3.94Å; M16-A19 PolarHBondContact O-N 3.47Å; M16-A19 VanDerWaalsContact O-N 3.09Å
17R57.8Low77Confident232 Ų23296.8 Ų96.888%0.87548%0.477SS*.THydrogen-bonded Turntrans-52.2-19-167.8-66.1-178.8178178.1-0.3115.7H15H15-R17 PolarHBondContact O-N 3.13Å
18E60.8Low77.3Confident186 Ų18699 Ų9987%0.86950%0.498SS*.THydrogen-bonded Turntrans-114.7-16.6-171.8-60.3178.6177.200113.7M16 K20M16-E18 PolarHBondContact O-N 3.45Å; E18-K20 VanDerWaalsContact C-N 3.32Å; E18-K20 PolarHBondContact O-N 3Å
19A66.6Low77.4Confident35 Ų35101.3 Ų101.329%0.28951%0.505SS..  trans-80.573.7-175.700000112M16 P21M16-A19 HydrophobicContact CB-CB 3.94Å; M16-A19 PolarHBondContact O-N 3.47Å; M16-A19 VanDerWaalsContact O-N 3.09Å; A19-P21 VanDerWaalsContact O-CD 3.23Å; A19-P21 WeakPolarHBondContact O-CD 3.37Å
20K78.1Confident77.7Confident112 Ų11297.9 Ų97.949%0.48749%0.494SS..  trans-114.371.9173.7-68.9168.8175175.90110.5E18 Y22 S30 F31E18-K20 VanDerWaalsContact C-N 3.32Å; E18-K20 PolarHBondContact O-N 3Å; K20-Y22 VanDerWaalsContact C-N 3.26Å; K20-Y22 PolarHBondContact O-N 2.74Å; K20-S30 WeakPolarHBondContact CD-O 3.42Å; K20-S30 WeakPolarHBondContact O-CB 3.24Å; K20-F31 CarbonylContact C-O 3.41Å; K20-F31 WeakPolarHBondContact CA-O 3.48Å
21P79.8Confident78Confident61 Ų6196.1 Ų96.140%0.39648%0.484SS..  trans-65.4-27.9-173.223.6-31.3000113A19 K23A19-P21 VanDerWaalsContact O-CD 3.23Å; A19-P21 WeakPolarHBondContact O-CD 3.37Å; P21-K23 PolarHBondContact O-N 2.8Å; P21-K23 VanDerWaalsContact O-N 3.14Å
22Y82Confident78.1Confident87 Ų8793.4 Ų93.434%0.34147%0.473SS..EExtended strand (participates in β ladder)trans-85.789.6-176-59.2-83.6000111.3K20 S30 F31K20-Y22 VanDerWaalsContact C-N 3.26Å; K20-Y22 PolarHBondContact O-N 2.74Å; Y22-S30 CarbonylContact O-C 3.59Å; Y22-S30 WeakPolarHBondContact O-CA 3.48Å; Y22-F31 PolarHBondContact N-O 3.48Å; Y22-F31 PolarHBondContact O-N 2.83Å
23K84.9Confident78.5Confident156 Ų15691.4 Ų91.468%0.67846%0.46SS*.EExtended strand (participates in β ladder)trans-82.6144.4179.1-58.2179.2-177.11720111.7P21 L37P21-K23 PolarHBondContact O-N 2.8Å; P21-K23 VanDerWaalsContact O-N 3.14Å; K23-L37 WeakPolarHBondContact O-CD2 3.37Å
24C86.9Confident79Confident15 Ų1590.5 Ų90.510%0.10146%0.462CS..  trans-80.9140.3169-177.60000111.1H26 C27 K29 F31 L37 H40 M41C24-H26 PolarHBondContact SG-N 2.87Å; C24-C27 WeakPolarHBondContact CB-O 3.49Å; C24-K29 VanDerWaalsContact CB-O 3.3Å; C24-K29 WeakPolarHBondContact CB-O 3.4Å; C24-K29 PolarHBondContact N-O 3.41Å; C24-F31 HydrophobicContact CB-CE2 4.49Å; C24-L37 HydrophobicContact CB-CD1 4.01Å; C24-H40 PolarHBondContact SG-NE2 3.14Å; C24-M41 VanDerWaalsContact SG-SD 3.63Å
25S85.9Confident79.6Confident93 Ų9390 Ų9065%0.6546%0.463SS*.SBendtrans-75.9-22.4175.2510000114.1
26H84.6Confident80.2Confident116 Ų11690 Ų9054%0.53746%0.458SS..SBendtrans-109.3-6.2-172.5-59.2-69.3000114.3C24 H44C24-H26 PolarHBondContact SG-N 2.87Å; H26-H44 HydrophobicContact CB-CB 4.43Å; H26-H44 WeakPolarHBondContact CB-ND1 3.35Å
27C88.4Confident81.1Confident32 Ų3284.6 Ų84.622%0.21643%0.432CS..SBendtrans-157.1160.5175.177.80000111.1C24 K29 H40C24-C27 WeakPolarHBondContact CB-O 3.49Å; C27-K29 PolarHBondContact O-N 3.3Å; C27-H40 PolarHBondContact SG-NE2 3.15Å
28P86.9Confident82.5Confident134 Ų13475 Ų7587%0.8740%0.4SS*.SBendtrans-72.920.4-176.131.3-37.7000114.5
29K85.1Confident83.7Confident126 Ų12668.9 Ų68.955%0.54837%0.371SS..  trans-88.3133.9179.3-67.7-179.7177.1176.30110.8C24 C27 F31C24-K29 VanDerWaalsContact CB-O 3.3Å; C24-K29 WeakPolarHBondContact CB-O 3.4Å; C24-K29 PolarHBondContact N-O 3.41Å; C27-K29 PolarHBondContact O-N 3.3Å; K29-F31 HydrophobicContact CB-CE2 3.93Å; K29-F31 HydrophobicContact CB-CZ 3.88Å
30S86.8Confident84.6Confident42 Ų4268 Ų6829%0.29436%0.361SS..EExtended strand (participates in β ladder)trans-122.9149.8175.8-44.80000110.5K20 Y22K20-S30 WeakPolarHBondContact CD-O 3.42Å; K20-S30 WeakPolarHBondContact O-CB 3.24Å; Y22-S30 CarbonylContact O-C 3.59Å; Y22-S30 WeakPolarHBondContact O-CA 3.48Å
31F84Confident85Confident41 Ų4163 Ų6318%0.1834%0.34CS..EExtended strand (participates in β ladder)trans-126.4151.5-171.8-57.4-87.6000111K20 Y22 C24 K29 N33 L37 H40K20-F31 CarbonylContact C-O 3.41Å; K20-F31 WeakPolarHBondContact CA-O 3.48Å; Y22-F31 PolarHBondContact N-O 3.48Å; Y22-F31 PolarHBondContact O-N 2.83Å; C24-F31 HydrophobicContact CB-CE2 4.49Å; K29-F31 HydrophobicContact CB-CE2 3.93Å; K29-F31 HydrophobicContact CB-CZ 3.88Å; F31-N33 VanDerWaalsContact C-N 3.33Å; F31-L37 HydrophobicContact CB-CB 4.36Å; F31-L37 HydrophobicContact CD2-CB 3.96Å; F31-L37 HydrophobicContact CD2-CD1 3.87Å; F31-L37 HydrophobicContact CE2-CD1 4.07Å; F31-L37 HydrophobicContact CG-CB 4.34Å; F31-H40 HydrophobicContact CE1-CB 3.92Å; F31-H40 HydrophobicContact CE2-CB 3.88Å; F31-H40 AromaticContact CE2-CD2 3.25Å; F31-H40 WeakPolarHBondContact CE2-CD2 3.4Å; F31-H40 AromaticContact CE2-CG 3.62Å; F31-H40 AromaticContact CE2-NE2 3.99Å; F31-H40 HydrophobicContact CZ-CB 3.45Å; F31-H40 VanDerWaalsContact CZ-CB 3.45Å; F31-H40 AromaticContact CZ-CD2 3.37Å; F31-H40 WeakPolarHBondContact CZ-CD2 3.48Å; F31-H40 AromaticContact CZ-CG 3.23Å; F31-H40 AromaticContact CZ-ND1 3.84Å; F31-H40 AromaticContact CZ-NE2 4Å
32A83.6Confident85.3Confident14 Ų1461.8 Ų61.812%0.11633%0.328CS..SBendtrans-73.5-23.5178.500000113Q13 V14Q13-A32 PolarHBondContact OE1-O 2.9Å; V14-A32 HydrophobicContact CG2-CB 4.47Å
33N83.4Confident85.5Confident24 Ų2462.9 Ų62.913%0.12834%0.338CS..SBendtrans-140.5160.6177.268.935.5000112.7I10 F31 S35 Y36 L37I10-N33 HydrophobicContact CG2-CB 4.35Å; F31-N33 VanDerWaalsContact C-N 3.33Å; N33-S35 VanDerWaalsContact C-N 3.32Å; N33-S35 PolarHBondContact O-N 3.24Å; N33-S35 PolarHBondContact OD1-N 3.31Å; N33-Y36 VanDerWaalsContact CG-CD2 3.4Å; N33-Y36 VanDerWaalsContact ND2-CD2 3.3Å; N33-Y36 WeakPolarHBondContact ND2-CD2 3.19Å; N33-Y36 VanDerWaalsContact ND2-CE2 3.28Å; N33-Y36 WeakPolarHBondContact ND2-CE2 3.36Å; N33-Y36 PolarHBondContact O-N 3.09Å; N33-Y36 WeakPolarHBondContact OD1-CB 3.42Å; N33-Y36 WeakPolarHBondContact OD1-CD2 3.3Å; N33-Y36 VanDerWaalsContact OD1-CG 3.28Å; N33-Y36 PolarHBondContact OD1-N 3.01Å; N33-L37 PolarHBondContact O-N 3.26Å
34S83.9Confident85.4Confident52 Ų5259 Ų5936%0.36432%0.322SS..Hα-helixtrans-61.9-36.8178.554.10000112.5Y36 L37 S38S34-Y36 PolarHBondContact O-N 3.27Å; S34-L37 PolarHBondContact O-N 3.12Å; S34-S38 WeakPolarHBondContact O-CB 3.18Å; S34-S38 PolarHBondContact O-N 3.37Å; S34-S38 PolarHBondContact O-OG 2.96Å; S34-S38 VanDerWaalsContact O-OG 3.08Å
35S84.6Confident85.3Confident82 Ų8261.1 Ų61.157%0.57333%0.332SS*.Hα-helixtrans-61.2-40.6179.7-590000113N33 Q39N33-S35 VanDerWaalsContact C-N 3.32Å; N33-S35 PolarHBondContact O-N 3.24Å; N33-S35 PolarHBondContact OD1-N 3.31Å; S35-Q39 WeakPolarHBondContact O-CB 3.23Å; S35-Q39 PolarHBondContact O-N 2.84Å
36Y84.7Confident85.1Confident123 Ų12359 Ų5948%0.48233%0.325SS..Hα-helixtrans-71.6-38175-69.7-46.5000111.9N33 S34 Q39 H40N33-Y36 VanDerWaalsContact CG-CD2 3.4Å; N33-Y36 VanDerWaalsContact ND2-CD2 3.3Å; N33-Y36 WeakPolarHBondContact ND2-CD2 3.19Å; N33-Y36 VanDerWaalsContact ND2-CE2 3.28Å; N33-Y36 WeakPolarHBondContact ND2-CE2 3.36Å; N33-Y36 PolarHBondContact O-N 3.09Å; N33-Y36 WeakPolarHBondContact OD1-CB 3.42Å; N33-Y36 WeakPolarHBondContact OD1-CD2 3.3Å; N33-Y36 VanDerWaalsContact OD1-CG 3.28Å; N33-Y36 PolarHBondContact OD1-N 3.01Å; S34-Y36 PolarHBondContact O-N 3.27Å; Y36-Q39 PolarHBondContact O-N 3.34Å; Y36-H40 VanDerWaalsContact O-CB 3.27Å; Y36-H40 WeakPolarHBondContact O-CB 3.11Å; Y36-H40 PolarHBondContact O-N 3.13Å
37L85.2Confident85Confident14 Ų1455.3 Ų55.37%0.07331%0.309CS..Hα-helixtrans-60.6-50.3171.4174.160.7000110.7K23 C24 F31 N33 S34 Q39 H40 M41 V318K23-L37 WeakPolarHBondContact O-CD2 3.37Å; C24-L37 HydrophobicContact CB-CD1 4.01Å; F31-L37 HydrophobicContact CB-CB 4.36Å; F31-L37 HydrophobicContact CD2-CB 3.96Å; F31-L37 HydrophobicContact CD2-CD1 3.87Å; F31-L37 HydrophobicContact CE2-CD1 4.07Å; F31-L37 HydrophobicContact CG-CB 4.34Å; N33-L37 PolarHBondContact O-N 3.26Å; S34-L37 PolarHBondContact O-N 3.12Å; L37-Q39 VanDerWaalsContact C-N 3.32Å; L37-Q39 PolarHBondContact O-N 2.81Å; L37-H40 CarbonylContact O-C 3.3Å; L37-H40 WeakPolarHBondContact O-CA 3.16Å; L37-H40 WeakPolarHBondContact O-CB 3.43Å; L37-H40 PolarHBondContact O-N 2.91Å; L37-M41 HydrophobicContact CD1-CG 4.03Å; L37-M41 HydrophobicContact CD1-SD 4.31Å; L37-M41 HydrophobicContact CG-CG 4.34Å; L37-M41 VanDerWaalsContact O-CG 3.31Å; L37-M41 WeakPolarHBondContact O-CG 3.46Å; L37-M41 PolarHBondContact O-N 3.01Å; L37-V318 HydrophobicContact CD2-CG1 4.44Å
38S85.8Confident84.8Confident30 Ų3059.2 Ų59.221%0.2132%0.322CS..Hα-helixtrans-58.9-40.6176.9-65.20000112.3S34 L314S34-S38 WeakPolarHBondContact O-CB 3.18Å; S34-S38 PolarHBondContact O-N 3.37Å; S34-S38 PolarHBondContact O-OG 2.96Å; S34-S38 VanDerWaalsContact O-OG 3.08Å; S38-L314 VanDerWaalsContact O-CD1 3.23Å; S38-L314 WeakPolarHBondContact O-CD1 3.46Å
39Q85.8Confident84.6Confident57 Ų5753.9 Ų53.927%0.26629%0.287SS..Hα-helixtrans-63.8-40.2172.7-175.2-172.48000112.1S35 Y36 L37 R42 Q62S35-Q39 WeakPolarHBondContact O-CB 3.23Å; S35-Q39 PolarHBondContact O-N 2.84Å; Y36-Q39 PolarHBondContact O-N 3.34Å; L37-Q39 VanDerWaalsContact C-N 3.32Å; L37-Q39 PolarHBondContact O-N 2.81Å; Q39-R42 WeakPolarHBondContact O-CB 3.29Å; Q39-R42 WeakPolarHBondContact O-CG 3.44Å; Q39-Q62 VanDerWaalsContact CD-NE2 3.26Å; Q39-Q62 HydrophobicContact CG-CG 4.28Å
40H87Confident84.3Confident16 Ų1648.6 Ų48.67%0.07427%0.265CS..Hα-helixtrans-68.6-39.8178.3164.961.3000112.7C24 C27 F31 Y36 L37 R42 I43 H44C24-H40 PolarHBondContact SG-NE2 3.14Å; C27-H40 PolarHBondContact SG-NE2 3.15Å; F31-H40 HydrophobicContact CE1-CB 3.92Å; F31-H40 HydrophobicContact CE2-CB 3.88Å; F31-H40 AromaticContact CE2-CD2 3.25Å; F31-H40 WeakPolarHBondContact CE2-CD2 3.4Å; F31-H40 AromaticContact CE2-CG 3.62Å; F31-H40 AromaticContact CE2-NE2 3.99Å; F31-H40 HydrophobicContact CZ-CB 3.45Å; F31-H40 VanDerWaalsContact CZ-CB 3.45Å; F31-H40 AromaticContact CZ-CD2 3.37Å; F31-H40 WeakPolarHBondContact CZ-CD2 3.48Å; F31-H40 AromaticContact CZ-CG 3.23Å; F31-H40 AromaticContact CZ-ND1 3.84Å; F31-H40 AromaticContact CZ-NE2 4Å; Y36-H40 VanDerWaalsContact O-CB 3.27Å; Y36-H40 WeakPolarHBondContact O-CB 3.11Å; Y36-H40 PolarHBondContact O-N 3.13Å; L37-H40 CarbonylContact O-C 3.3Å; L37-H40 WeakPolarHBondContact O-CA 3.16Å; L37-H40 WeakPolarHBondContact O-CB 3.43Å; L37-H40 PolarHBondContact O-N 2.91Å; H40-R42 PolarHBondContact O-N 3.04Å; H40-R42 VanDerWaalsContact O-N 3.11Å; H40-I43 VanDerWaalsContact O-CB 3.25Å; H40-I43 WeakPolarHBondContact O-CB 3.46Å; H40-I43 WeakPolarHBondContact O-CG1 2.9Å; H40-I43 PolarHBondContact O-N 3.41Å; H40-H44 AromaticContact CE1-CD2 3.83Å; H40-H44 AromaticContact CE1-NE2 3.45Å; H40-H44 PolarHBondContact CE1-NE2 3.04Å; H40-H44 AromaticContact NE2-CD2 3.66Å; H40-H44 AromaticContact NE2-NE2 3.37Å; H40-H44 PolarHBondContact NE2-NE2 3.19Å
41M85.7Confident83.8Confident9 Ų947.4 Ų47.44%0.04426%0.259CS..Hα-helixtrans-58.4-26.3179.1-71.8-63.8-75.900112.7C24 L37 I43 H44 L45 L314C24-M41 VanDerWaalsContact SG-SD 3.63Å; L37-M41 HydrophobicContact CD1-CG 4.03Å; L37-M41 HydrophobicContact CD1-SD 4.31Å; L37-M41 HydrophobicContact CG-CG 4.34Å; L37-M41 VanDerWaalsContact O-CG 3.31Å; L37-M41 WeakPolarHBondContact O-CG 3.46Å; L37-M41 PolarHBondContact O-N 3.01Å; M41-I43 PolarHBondContact O-N 3.28Å; M41-I43 VanDerWaalsContact O-N 3.12Å; M41-H44 PolarHBondContact O-N 3.49Å; M41-L45 WeakPolarHBondContact O-CG 3.12Å; M41-L45 PolarHBondContact O-N 3.07Å; M41-L314 HydrophobicContact CB-CD2 3.59Å
42R87Confident83.6Confident35 Ų3548.8 Ų48.813%0.13227%0.272CS..Hα-helixtrans-55-27.5170.3-58.6178.4-164.5163.84.8113.7Q39 H40 G46 I47 T61 L314Q39-R42 WeakPolarHBondContact O-CB 3.29Å; Q39-R42 WeakPolarHBondContact O-CG 3.44Å; H40-R42 PolarHBondContact O-N 3.04Å; H40-R42 VanDerWaalsContact O-N 3.11Å; R42-G46 CarbonylContact O-C 3.56Å; R42-G46 PolarHBondContact O-N 3.05Å; R42-G46 VanDerWaalsContact O-N 3.12Å; R42-I47 HydrophobicContact CB-CB 4.49Å; R42-I47 PolarHBondContact O-N 3.49Å; R42-T61 PolarHBondContact NH1-O 3.42Å; R42-L314 HydrophobicContact CG-CD1 4.1Å
43I85Confident83.4Confident110 Ų11048.3 Ų48.356%0.56427%0.268SS*.Hα-helixtrans-70.1-45.6176.8-57.9175000110.1H40 M41 G46H40-I43 VanDerWaalsContact O-CB 3.25Å; H40-I43 WeakPolarHBondContact O-CB 3.46Å; H40-I43 WeakPolarHBondContact O-CG1 2.9Å; H40-I43 PolarHBondContact O-N 3.41Å; M41-I43 PolarHBondContact O-N 3.28Å; M41-I43 VanDerWaalsContact O-N 3.12Å; I43-G46 PolarHBondContact O-N 3.19Å
44H84Confident83.2Confident75 Ų7553.1 Ų53.135%0.34729%0.289SS..Hα-helixtrans-68.9-38.9178.6-70.4-69000112.4H26 H40 M41 G46H26-H44 HydrophobicContact CB-CB 4.43Å; H26-H44 WeakPolarHBondContact CB-ND1 3.35Å; H40-H44 AromaticContact CE1-CD2 3.83Å; H40-H44 AromaticContact CE1-NE2 3.45Å; H40-H44 PolarHBondContact CE1-NE2 3.04Å; H40-H44 AromaticContact NE2-CD2 3.66Å; H40-H44 AromaticContact NE2-NE2 3.37Å; H40-H44 PolarHBondContact NE2-NE2 3.19Å; M41-H44 PolarHBondContact O-N 3.49Å; H44-G46 VanDerWaalsContact C-N 3.27Å; H44-G46 PolarHBondContact O-N 3.19Å
45L83.6Confident82.9Confident59 Ų5955.2 Ų55.231%0.30929%0.29SS..THydrogen-bonded Turntrans-81.6-3.4179.2-57.1171.6000113.4M41 I47 L314 L317M41-L45 WeakPolarHBondContact O-CG 3.12Å; M41-L45 PolarHBondContact O-N 3.07Å; L45-I47 HydrophobicContact CB-CD1 3.71Å; L45-I47 HydrophobicContact CB-CG1 3.7Å; L45-I47 HydrophobicContact CD1-CD1 3.79Å; L45-I47 HydrophobicContact CG-CD1 4.4Å; L45-I47 PolarHBondContact O-N 3.41Å; L45-L314 HydrophobicContact CD1-CD2 3.81Å; L45-L317 HydrophobicContact CD1-CD1 3.5Å; L45-L317 HydrophobicContact CD2-CD1 3.69Å; L45-L317 HydrophobicContact CG-CD1 4.25Å
46G82.7Confident82.8Confident49 Ų4953.8 Ų53.851%0.50528%0.28SS..  trans64.53.6-174.500000115.3R42 I43 H44 K48R42-G46 CarbonylContact O-C 3.56Å; R42-G46 PolarHBondContact O-N 3.05Å; R42-G46 VanDerWaalsContact O-N 3.12Å; I43-G46 PolarHBondContact O-N 3.19Å; H44-G46 VanDerWaalsContact C-N 3.27Å; H44-G46 PolarHBondContact O-N 3.19Å; G46-K48 PolarHBondContact O-N 3.07Å
47I81.9Confident82.6Confident37 Ų3750.2 Ų50.219%0.1928%0.28CS..  trans-66.1115.2-174.9-59.4172.7000109.3R42 L45 P49 H313R42-I47 HydrophobicContact CB-CB 4.49Å; R42-I47 PolarHBondContact O-N 3.49Å; L45-I47 HydrophobicContact CB-CD1 3.71Å; L45-I47 HydrophobicContact CB-CG1 3.7Å; L45-I47 HydrophobicContact CD1-CD1 3.79Å; L45-I47 HydrophobicContact CG-CD1 4.4Å; L45-I47 PolarHBondContact O-N 3.41Å; I47-P49 HydrophobicContact CG2-CG 4.37Å; I47-P49 WeakPolarHBondContact O-CD 3.44Å; I47-H313 HydrophobicContact CD1-CB 4.28Å
48K84.5Confident82.5Confident115 Ų11557.7 Ų57.750%0.531%0.307SS..  trans-117.881.2177-70.9170.8-179.4-178.70108.4G46 F50 K59 F60 T61G46-K48 PolarHBondContact O-N 3.07Å; K48-F50 VanDerWaalsContact C-N 3.31Å; K48-F50 PolarHBondContact O-N 3.3Å; K48-K59 HydrophobicContact CB-CB 3.59Å; K48-K59 HydrophobicContact CD-CB 4.28Å; K48-F60 CarbonylContact C-O 3.55Å; K48-F60 VanDerWaalsContact C-O 3.23Å; K48-F60 VanDerWaalsContact CA-O 3.32Å; K48-F60 WeakPolarHBondContact CA-O 3.47Å; K48-T61 HydrophobicContact CG-CG2 3.92Å
49P81.5Confident82.5Confident21 Ų2162 Ų6214%0.13632%0.322CS..  trans-68.4-31.8-169.916.3-14.7000112I47 G51 F60 A306I47-P49 HydrophobicContact CG2-CG 4.37Å; I47-P49 WeakPolarHBondContact O-CD 3.44Å; P49-G51 PolarHBondContact O-N 2.87Å; P49-F60 WeakPolarHBondContact CD-O 3.38Å; P49-A306 HydrophobicContact CB-CB 3.58Å; P49-A306 WeakPolarHBondContact CB-O 3.42Å; P49-A306 WeakPolarHBondContact O-CB 3.3Å
50F79.3Confident82.4Confident16 Ų1661 Ų617%0.0732%0.317CS..BIsolated β-bridgetrans-89.4114-172.2-52.3-77.3000111.3K48 K59 F60 T61 Q62 L63 L66 A303K48-F50 VanDerWaalsContact C-N 3.31Å; K48-F50 PolarHBondContact O-N 3.3Å; F50-K59 CarbonylContact O-C 3.36Å; F50-F60 HydrophobicContact CB-CB 4.39Å; F50-F60 PolarHBondContact N-O 3.46Å; F50-F60 VanDerWaalsContact N-O 3.07Å; F50-F60 PolarHBondContact O-N 2.91Å; F50-T61 WeakPolarHBondContact CE2-O 3.38Å; F50-Q62 VanDerWaalsContact CE2-CA 3.49Å; F50-L63 HydrophobicContact CD1-CB 3.89Å; F50-L63 HydrophobicContact CD1-CD1 3.7Å; F50-L63 HydrophobicContact CD1-CG 4.41Å; F50-L63 VanDerWaalsContact CD2-N 3.31Å; F50-L63 HydrophobicContact CE1-CB 3.88Å; F50-L63 HydrophobicContact CE1-CD1 4.23Å; F50-L63 HydrophobicContact CG-CB 4.24Å; F50-L63 HydrophobicContact CG-CD1 4.35Å; F50-L63 HydrophobicContact CZ-CB 4.23Å; F50-L66 HydrophobicContact CB-CB 4.3Å; F50-L66 HydrophobicContact CB-CD2 4.04Å; F50-A303 HydrophobicContact CD1-CB 4.3Å; F50-A303 HydrophobicContact CE1-CB 3.97Å
51G76.8Confident82.4Confident16 Ų1661.6 Ų61.617%0.16532%0.322CS..  trans125.2-167-17900000112.2P49P49-G51 PolarHBondContact O-N 2.87Å
52P79.1Confident82.4Confident71 Ų7163.3 Ų63.346%0.46133%0.33SS..  cis-67.3150.46.428.7-35.5000113.7Q54 G57 K59P52-Q54 PolarHBondContact O-N 3.46Å; P52-G57 VanDerWaalsContact CB-O 3.24Å; P52-G57 WeakPolarHBondContact CB-O 3.48Å; P52-K59 HydrophobicContact CB-CG 4.24Å
53C80.4Confident82.2Confident4 Ų463.6 Ų63.63%0.02733%0.334CS..  trans-63.4123.6167.4177.50000109.7Y55 C56 G57 R58 F60 L66 H69 H73C53-Y55 PolarHBondContact O-N 2.93Å; C53-Y55 VanDerWaalsContact O-N 3.1Å; C53-C56 PolarHBondContact O-N 2.96Å; C53-G57 WeakPolarHBondContact O-CA 3.14Å; C53-G57 PolarHBondContact O-N 2.98Å; C53-R58 WeakPolarHBondContact CB-O 3.44Å; C53-R58 PolarHBondContact N-O 3.26Å; C53-F60 HydrophobicContact CB-CE2 4.46Å; C53-L66 HydrophobicContact CB-CD1 4.21Å; C53-H69 PolarHBondContact SG-NE2 3.03Å; C53-H73 PolarHBondContact SG-NE2 2.83Å
54Q79.1Confident82.2Confident125 Ų12561.1 Ų61.158%0.58433%0.326SS*.THydrogen-bonded Turntrans-58.1-27.3-176.1-67.3177.8-10.500113.3P52P52-Q54 PolarHBondContact O-N 3.46Å
55Y76.3Confident82.4Confident95 Ų9561.1 Ų61.137%0.37333%0.326SS..THydrogen-bonded Turntrans-87.7-16.8-177.9-58.2-70.1000115.1C53 L70 H73 H292 I294C53-Y55 PolarHBondContact O-N 2.93Å; C53-Y55 VanDerWaalsContact O-N 3.1Å; Y55-L70 HydrophobicContact CD2-CD2 4.06Å; Y55-L70 HydrophobicContact CE2-CD2 4.19Å; Y55-H73 HydrophobicContact CD2-CB 3.74Å; Y55-H73 AromaticContact CD2-CD2 3.83Å; Y55-H73 AromaticContact CD2-CG 3.8Å; Y55-H73 HydrophobicContact CE2-CB 4.21Å; Y55-H73 HydrophobicContact CG-CB 4.03Å; Y55-H73 AromaticContact CG-CG 3.86Å; Y55-H292 WeakPolarHBondContact OH-CB 3.48Å; Y55-H292 PolarHBondContact OH-O 2.75Å; Y55-I294 HydrophobicContact CE2-CD1 3.83Å
56C83.9Confident82.5Confident53 Ų5358.8 Ų58.836%0.35831%0.314SS..THydrogen-bonded Turntrans-154.89.9-174.871.20000116.4C53 R58 H69 H73C53-C56 PolarHBondContact O-N 2.96Å; C56-R58 PolarHBondContact O-N 3.46Å; C56-H69 PolarHBondContact SG-NE2 2.89Å; C56-H73 WeakPolarHBondContact CB-CE1 3.24Å; C56-H73 WeakPolarHBondContact CB-NE2 3.4Å; C56-H73 PolarHBondContact SG-NE2 3.47Å
57G81.1Confident82.6Confident48 Ų4859.8 Ų59.850%0.49531%0.305SS..  trans71.1-10.4178.300000116.1P52 C53 K59P52-G57 VanDerWaalsContact CB-O 3.24Å; P52-G57 WeakPolarHBondContact CB-O 3.48Å; C53-G57 WeakPolarHBondContact O-CA 3.14Å; C53-G57 PolarHBondContact O-N 2.98Å; G57-K59 PolarHBondContact O-N 3.1Å
58R81.9Confident82.7Confident171 Ų17161.3 Ų61.365%0.64531%0.312SS*.  trans-64.4134.3-174.4-74.1-173171.8-165.2-2112.4C53 C56 F60C53-R58 WeakPolarHBondContact CB-O 3.44Å; C53-R58 PolarHBondContact N-O 3.26Å; C56-R58 PolarHBondContact O-N 3.46Å; R58-F60 HydrophobicContact CB-CE2 3.83Å; R58-F60 HydrophobicContact CB-CZ 3.93Å; R58-F60 WeakPolarHBondContact O-CE2 3.42Å
59K86.3Confident82.8Confident119 Ų11957 Ų5752%0.51729%0.294SS..  trans-104.5152.4173.1-57.6-176.8179.7-176.40111K48 F50 P52 G57K48-K59 HydrophobicContact CB-CB 3.59Å; K48-K59 HydrophobicContact CD-CB 4.28Å; F50-K59 CarbonylContact O-C 3.36Å; P52-K59 HydrophobicContact CB-CG 4.24Å; G57-K59 PolarHBondContact O-N 3.1Å
60F84.2Confident82.8Confident36 Ų3656.9 Ų56.916%0.15829%0.292CS..BIsolated β-bridgetrans-130.7148.9-172.5-63.2-91.3000112.2K48 P49 F50 C53 R58 H65 L66 H69K48-F60 CarbonylContact C-O 3.55Å; K48-F60 VanDerWaalsContact C-O 3.23Å; K48-F60 VanDerWaalsContact CA-O 3.32Å; K48-F60 WeakPolarHBondContact CA-O 3.47Å; P49-F60 WeakPolarHBondContact CD-O 3.38Å; F50-F60 HydrophobicContact CB-CB 4.39Å; F50-F60 PolarHBondContact N-O 3.46Å; F50-F60 VanDerWaalsContact N-O 3.07Å; F50-F60 PolarHBondContact O-N 2.91Å; C53-F60 HydrophobicContact CB-CE2 4.46Å; R58-F60 HydrophobicContact CB-CE2 3.83Å; R58-F60 HydrophobicContact CB-CZ 3.93Å; R58-F60 WeakPolarHBondContact O-CE2 3.42Å; F60-H65 HydrophobicContact CB-CB 4.38Å; F60-H65 HydrophobicContact CD1-CB 3.89Å; F60-H65 HydrophobicContact CG-CB 4.47Å; F60-L66 HydrophobicContact CB-CB 4.24Å; F60-L66 HydrophobicContact CD2-CB 3.93Å; F60-L66 HydrophobicContact CD2-CD1 3.71Å; F60-L66 HydrophobicContact CD2-CG 4.39Å; F60-L66 HydrophobicContact CE2-CD1 3.87Å; F60-L66 HydrophobicContact CG-CB 4.14Å; F60-H69 HydrophobicContact CE1-CB 3.84Å; F60-H69 HydrophobicContact CE2-CB 4.2Å; F60-H69 AromaticContact CE2-CD2 3.37Å; F60-H69 WeakPolarHBondContact CE2-CD2 3.48Å; F60-H69 AromaticContact CE2-CG 3.94Å; F60-H69 HydrophobicContact CZ-CB 3.55Å; F60-H69 AromaticContact CZ-CD2 3.2Å; F60-H69 WeakPolarHBondContact CZ-CD2 3.34Å; F60-H69 AromaticContact CZ-CG 3.32Å; F60-H69 AromaticContact CZ-NE2 3.95Å
61T85.7Confident83.1Confident29 Ų2958.7 Ų58.718%0.17830%0.298CS..SBendtrans-78.5-17.7177.452.40000113.6R42 K48 F50R42-T61 PolarHBondContact NH1-O 3.42Å; K48-T61 HydrophobicContact CG-CG2 3.92Å; F50-T61 WeakPolarHBondContact CE2-O 3.38Å
62Q85.3Confident83.4Confident45 Ų4562.4 Ų62.421%0.2132%0.317CS..SBendtrans-140.4146-178.9-53.6-172.818.900111.7Q39 F50 S64 H65 L66Q39-Q62 VanDerWaalsContact CD-NE2 3.26Å; Q39-Q62 HydrophobicContact CG-CG 4.28Å; F50-Q62 VanDerWaalsContact CE2-CA 3.49Å; Q62-S64 PolarHBondContact OE1-OG 2.79Å; Q62-H65 PolarHBondContact O-N 2.98Å; Q62-L66 PolarHBondContact O-N 2.8Å
63L84.3Confident83.4Confident42 Ų4263 Ų6322%0.2231%0.314CS..Hα-helixtrans-64.1-40.3179.1-17266.2000112.6F50 H65 L66 Q67 I299 A303F50-L63 HydrophobicContact CD1-CB 3.89Å; F50-L63 HydrophobicContact CD1-CD1 3.7Å; F50-L63 HydrophobicContact CD1-CG 4.41Å; F50-L63 VanDerWaalsContact CD2-N 3.31Å; F50-L63 HydrophobicContact CE1-CB 3.88Å; F50-L63 HydrophobicContact CE1-CD1 4.23Å; F50-L63 HydrophobicContact CG-CB 4.24Å; F50-L63 HydrophobicContact CG-CD1 4.35Å; F50-L63 HydrophobicContact CZ-CB 4.23Å; L63-H65 VanDerWaalsContact C-N 3.25Å; L63-H65 PolarHBondContact O-N 3.17Å; L63-L66 PolarHBondContact O-N 3.14Å; L63-L66 VanDerWaalsContact O-N 3.1Å; L63-Q67 PolarHBondContact O-N 3.28Å; L63-I299 HydrophobicContact CD1-CG2 3.64Å; L63-I299 HydrophobicContact CG-CG2 4.32Å; L63-A303 HydrophobicContact CD1-CB 3.77Å; L63-A303 HydrophobicContact CD2-CB 3.6Å; L63-A303 HydrophobicContact CG-CB 4.24Å
64S84.6Confident83.3Confident58 Ų5865.9 Ų65.941%0.40633%0.331SS..Hα-helixtrans-54.6-40.9174.849.20000112.1Q62 Q68Q62-S64 PolarHBondContact OE1-OG 2.79Å; S64-Q68 VanDerWaalsContact O-CB 3.26Å; S64-Q68 WeakPolarHBondContact O-CB 3.47Å; S64-Q68 PolarHBondContact O-N 3.02Å
65H87.1Confident83.3Confident74 Ų7462.3 Ų62.334%0.34333%0.329SS..Hα-helixtrans-70.2-38.1176.8-59.8160.6000112.1F60 Q62 L63 H69F60-H65 HydrophobicContact CB-CB 4.38Å; F60-H65 HydrophobicContact CD1-CB 3.89Å; F60-H65 HydrophobicContact CG-CB 4.47Å; Q62-H65 PolarHBondContact O-N 2.98Å; L63-H65 VanDerWaalsContact C-N 3.25Å; L63-H65 PolarHBondContact O-N 3.17Å; H65-H69 WeakPolarHBondContact O-CB 3.4Å; H65-H69 PolarHBondContact O-N 2.9Å
66L85.6Confident83.6Confident10 Ų1062.1 Ų62.15%0.05233%0.331CS..Hα-helixtrans-63.7-47.3172.6174.560.5000111F50 C53 F60 Q62 L63 Q68 H69 L70F50-L66 HydrophobicContact CB-CB 4.3Å; F50-L66 HydrophobicContact CB-CD2 4.04Å; C53-L66 HydrophobicContact CB-CD1 4.21Å; F60-L66 HydrophobicContact CB-CB 4.24Å; F60-L66 HydrophobicContact CD2-CB 3.93Å; F60-L66 HydrophobicContact CD2-CD1 3.71Å; F60-L66 HydrophobicContact CD2-CG 4.39Å; F60-L66 HydrophobicContact CE2-CD1 3.87Å; F60-L66 HydrophobicContact CG-CB 4.14Å; Q62-L66 PolarHBondContact O-N 2.8Å; L63-L66 PolarHBondContact O-N 3.14Å; L63-L66 VanDerWaalsContact O-N 3.1Å; L66-Q68 PolarHBondContact O-N 2.78Å; L66-H69 CarbonylContact O-C 3.49Å; L66-H69 WeakPolarHBondContact O-CB 3.4Å; L66-H69 PolarHBondContact O-N 3.39Å; L66-L70 HydrophobicContact CD1-CD1 4.39Å; L66-L70 HydrophobicContact CD1-CG 4.21Å; L66-L70 HydrophobicContact CG-CD1 4.31Å; L66-L70 WeakPolarHBondContact O-CG 3.43Å; L66-L70 PolarHBondContact O-N 3.37Å
67Q84.8Confident83.6Confident70 Ų7065.3 Ų65.333%0.32734%0.339SS..Hα-helixtrans-61.1-45.4177.2-73.4179.1-20.100112.1L63 H69 L70 R71 I299L63-Q67 PolarHBondContact O-N 3.28Å; Q67-H69 VanDerWaalsContact C-N 3.28Å; Q67-H69 PolarHBondContact O-N 3.01Å; Q67-L70 PolarHBondContact O-N 3.1Å; Q67-R71 PolarHBondContact O-N 3.16Å; Q67-I299 HydrophobicContact CG-CG2 3.97Å
68Q85.7Confident83.8Confident70 Ų7065.7 Ų65.733%0.32733%0.333SS..Hα-helixtrans-61.3-37.7174.8-176.2-17578.100111.8S64 L66 R71 Q92S64-Q68 VanDerWaalsContact O-CB 3.26Å; S64-Q68 WeakPolarHBondContact O-CB 3.47Å; S64-Q68 PolarHBondContact O-N 3.02Å; L66-Q68 PolarHBondContact O-N 2.78Å; Q68-R71 WeakPolarHBondContact O-CB 3.48Å; Q68-Q92 VanDerWaalsContact CD-CD 3.47Å; Q68-Q92 VanDerWaalsContact CD-NE2 3.31Å; Q68-Q92 HydrophobicContact CG-CG 4.03Å
69H86.2Confident84.1Confident24 Ų2461 Ų6111%0.11132%0.316CS..Hα-helixtrans-69-39.2175.3169.652.4000112.9C53 C56 F60 H65 L66 Q67 R71 T72 H73C53-H69 PolarHBondContact SG-NE2 3.03Å; C56-H69 PolarHBondContact SG-NE2 2.89Å; F60-H69 HydrophobicContact CE1-CB 3.84Å; F60-H69 HydrophobicContact CE2-CB 4.2Å; F60-H69 AromaticContact CE2-CD2 3.37Å; F60-H69 WeakPolarHBondContact CE2-CD2 3.48Å; F60-H69 AromaticContact CE2-CG 3.94Å; F60-H69 HydrophobicContact CZ-CB 3.55Å; F60-H69 AromaticContact CZ-CD2 3.2Å; F60-H69 WeakPolarHBondContact CZ-CD2 3.34Å; F60-H69 AromaticContact CZ-CG 3.32Å; F60-H69 AromaticContact CZ-NE2 3.95Å; H65-H69 WeakPolarHBondContact O-CB 3.4Å; H65-H69 PolarHBondContact O-N 2.9Å; L66-H69 CarbonylContact O-C 3.49Å; L66-H69 WeakPolarHBondContact O-CB 3.4Å; L66-H69 PolarHBondContact O-N 3.39Å; Q67-H69 VanDerWaalsContact C-N 3.28Å; Q67-H69 PolarHBondContact O-N 3.01Å; H69-R71 PolarHBondContact O-N 3.19Å; H69-R71 VanDerWaalsContact O-N 3.16Å; H69-T72 PolarHBondContact ND1-OG1 3.41Å; H69-T72 WeakPolarHBondContact O-CB 3.47Å; H69-T72 PolarHBondContact O-N 2.83Å; H69-T72 PolarHBondContact O-OG1 3.46Å; H69-H73 AromaticContact CD2-NE2 3.64Å; H69-H73 AromaticContact CE1-CD2 3.68Å; H69-H73 AromaticContact CE1-NE2 2.64Å; H69-H73 PolarHBondContact CE1-NE2 2.81Å; H69-H73 AromaticContact ND1-NE2 3.85Å; H69-H73 AromaticContact NE2-CD2 3.66Å; H69-H73 AromaticContact NE2-NE2 2.42Å; H69-H73 PolarHBondContact NE2-NE2 2.42Å
70L81.4Confident84Confident18 Ų1862.7 Ų62.79%0.09432%0.323CS..Hα-helixtrans-58.8-30.5177.9-72.4171.1000112Y55 L66 Q67 T72 H73 T74 I294 I299Y55-L70 HydrophobicContact CD2-CD2 4.06Å; Y55-L70 HydrophobicContact CE2-CD2 4.19Å; L66-L70 HydrophobicContact CD1-CD1 4.39Å; L66-L70 HydrophobicContact CD1-CG 4.21Å; L66-L70 HydrophobicContact CG-CD1 4.31Å; L66-L70 WeakPolarHBondContact O-CG 3.43Å; L66-L70 PolarHBondContact O-N 3.37Å; Q67-L70 PolarHBondContact O-N 3.1Å; L70-T72 PolarHBondContact O-N 3.02Å; L70-H73 PolarHBondContact O-N 3.28Å; L70-T74 PolarHBondContact O-N 2.64Å; L70-T74 PolarHBondContact O-OG1 3.44Å; L70-I294 HydrophobicContact CD2-CD1 4.05Å; L70-I299 HydrophobicContact CD1-CD1 3.62Å; L70-I299 HydrophobicContact CD1-CG1 4.27Å
71R85.5Confident84.1Confident55 Ų5561.9 Ų61.921%0.20832%0.321CS..Hα-helixtrans-61.5-20171.1-60.3-176.3178.91525.1114.5Q67 Q68 H69 H73 T74 G75 E76 Y79 S91Q67-R71 PolarHBondContact O-N 3.16Å; Q68-R71 WeakPolarHBondContact O-CB 3.48Å; H69-R71 PolarHBondContact O-N 3.19Å; H69-R71 VanDerWaalsContact O-N 3.16Å; R71-H73 VanDerWaalsContact C-N 3.32Å; R71-T74 WeakPolarHBondContact CA-OG1 3.45Å; R71-G75 WeakPolarHBondContact O-CA 3.37Å; R71-G75 PolarHBondContact O-N 3.14Å; R71-G75 VanDerWaalsContact O-N 3.1Å; R71-E76 HydrophobicContact CB-CB 4.48Å; R71-E76 HydrophobicContact CG-CB 4.26Å; R71-E76 IonicContact NE-OE2 3.75Å; R71-E76 PolarHBondContact O-N 3.19Å; R71-Y79 PolarHBondContact NH1-OH 3.37Å; R71-S91 WeakPolarHBondContact CD-O 3.35Å; R71-S91 PolarHBondContact NH1-O 3.41Å
72T82.2Confident84Confident93 Ų9372.2 Ų72.257%0.57136%0.357SS*.Hα-helixtrans-77.5-19.6173.2730000112.7H69 L70H69-T72 PolarHBondContact ND1-OG1 3.41Å; H69-T72 WeakPolarHBondContact O-CB 3.47Å; H69-T72 PolarHBondContact O-N 2.83Å; H69-T72 PolarHBondContact O-OG1 3.46Å; L70-T72 PolarHBondContact O-N 3.02Å
73H79.4Confident83.7Confident84 Ų8475.9 Ų75.939%0.38937%0.37SS..Hα-helixtrans-93.4-43.1174.9-66.2-65.8000111.7C53 Y55 C56 H69 L70 R71 G75C53-H73 PolarHBondContact SG-NE2 2.83Å; Y55-H73 HydrophobicContact CD2-CB 3.74Å; Y55-H73 AromaticContact CD2-CD2 3.83Å; Y55-H73 AromaticContact CD2-CG 3.8Å; Y55-H73 HydrophobicContact CE2-CB 4.21Å; Y55-H73 HydrophobicContact CG-CB 4.03Å; Y55-H73 AromaticContact CG-CG 3.86Å; C56-H73 WeakPolarHBondContact CB-CE1 3.24Å; C56-H73 WeakPolarHBondContact CB-NE2 3.4Å; C56-H73 PolarHBondContact SG-NE2 3.47Å; H69-H73 AromaticContact CD2-NE2 3.64Å; H69-H73 AromaticContact CE1-CD2 3.68Å; H69-H73 AromaticContact CE1-NE2 2.64Å; H69-H73 PolarHBondContact CE1-NE2 2.81Å; H69-H73 AromaticContact ND1-NE2 3.85Å; H69-H73 AromaticContact NE2-CD2 3.66Å; H69-H73 AromaticContact NE2-NE2 2.42Å; H69-H73 PolarHBondContact NE2-NE2 2.42Å; L70-H73 PolarHBondContact O-N 3.28Å; R71-H73 VanDerWaalsContact C-N 3.32Å; H73-G75 VanDerWaalsContact C-N 3.3Å; H73-G75 PolarHBondContact O-N 3.35Å
74T78.5Confident83.2Confident64 Ų6479 Ų7939%0.39339%0.393SS..Hα-helixtrans-77.1-14.717861.90000113.8L70 R71 E76L70-T74 PolarHBondContact O-N 2.64Å; L70-T74 PolarHBondContact O-OG1 3.44Å; R71-T74 WeakPolarHBondContact CA-OG1 3.45Å; T74-E76 PolarHBondContact O-N 2.61Å; T74-E76 WeakPolarHBondContact OG1-CB 3.2Å; T74-E76 PolarHBondContact OG1-N 3.35Å
75G78.9Confident82.7Confident51 Ų5180.5 Ų80.553%0.52642%0.417SS..  trans70.18.4-17400000114.3R71 H73 K77R71-G75 WeakPolarHBondContact O-CA 3.37Å; R71-G75 PolarHBondContact O-N 3.14Å; R71-G75 VanDerWaalsContact O-N 3.1Å; H73-G75 VanDerWaalsContact C-N 3.3Å; H73-G75 PolarHBondContact O-N 3.35Å; G75-K77 PolarHBondContact O-N 3.26Å
76E82Confident82.1Confident90 Ų9078 Ų7842%0.42141%0.408SS..  trans-63.9127.9-173.4-163.5-149.2150.100112.1R71 T74 P78 S91R71-E76 HydrophobicContact CB-CB 4.48Å; R71-E76 HydrophobicContact CG-CB 4.26Å; R71-E76 IonicContact NE-OE2 3.75Å; R71-E76 PolarHBondContact O-N 3.19Å; T74-E76 PolarHBondContact O-N 2.61Å; T74-E76 WeakPolarHBondContact OG1-CB 3.2Å; T74-E76 PolarHBondContact OG1-N 3.35Å; E76-P78 WeakPolarHBondContact O-CD 3.43Å; E76-S91 WeakPolarHBondContact O-CB 3.48Å
77K84.5Confident81.8Confident120 Ų12086.7 Ų86.752%0.52245%0.448SS..  trans-125.971.8-176.7-73.9169.7167.9-162.10111.3G75 Y79 A89 F90G75-K77 PolarHBondContact O-N 3.26Å; K77-Y79 VanDerWaalsContact C-N 3.25Å; K77-Y79 PolarHBondContact O-N 2.82Å; K77-A89 HydrophobicContact CB-CB 3.72Å; K77-A89 HydrophobicContact CD-CB 4.36Å; K77-A89 WeakPolarHBondContact CD-O 3.46Å; K77-F90 CarbonylContact C-O 3.23Å; K77-F90 VanDerWaalsContact C-O 3.3Å; K77-F90 WeakPolarHBondContact CA-O 3.26Å
78P86.2Confident81.5Confident57 Ų5789.1 Ų89.137%0.3746%0.458SS..  trans-67-22.2-174.625.1-33.8000113.9E76 K80E76-P78 WeakPolarHBondContact O-CD 3.43Å; P78-K80 PolarHBondContact O-N 2.85Å
79Y87.5Confident81.4Confident73 Ų7387 Ų8729%0.28645%0.452SS..EExtended strand (participates in β ladder)trans-9488.9-177-51.3-72.6000110.9R71 K77 A89 F90 S91 L93R71-Y79 PolarHBondContact NH1-OH 3.37Å; K77-Y79 VanDerWaalsContact C-N 3.25Å; K77-Y79 PolarHBondContact O-N 2.82Å; Y79-A89 WeakPolarHBondContact O-CA 3.37Å; Y79-F90 WeakPolarHBondContact CD2-O 3.01Å; Y79-F90 PolarHBondContact N-O 3.27Å; Y79-F90 PolarHBondContact O-N 3.04Å; Y79-S91 WeakPolarHBondContact CE2-O 3Å; Y79-L93 HydrophobicContact CD1-CB 4.09Å; Y79-L93 HydrophobicContact CD1-CD1 3.92Å; Y79-L93 HydrophobicContact CD2-CB 4.49Å; Y79-L93 HydrophobicContact CE1-CB 3.92Å; Y79-L93 HydrophobicContact CE1-CD1 4.29Å; Y79-L93 HydrophobicContact CE2-CB 4.31Å; Y79-L93 HydrophobicContact CG-CB 4.38Å
80K84.9Confident81.3Confident153 Ų15387.9 Ų87.967%0.66546%0.456SS*.EExtended strand (participates in β ladder)trans-80.7141.3174.7-60.3-173.5-179.5-178.30111.4P78 A89P78-K80 PolarHBondContact O-N 2.85Å; K80-A89 HydrophobicContact CG-CB 3.99Å
81C85Confident81.5Confident19 Ų1988.5 Ų88.513%0.12846%0.461CS..  trans-66.2142.3167-163.40000110.1C86 K88 L96 H103C81-C86 HydrophobicContact CB-CB 4.43Å; C81-K88 WeakPolarHBondContact CB-O 3.5Å; C81-K88 PolarHBondContact N-O 3.33Å; C81-L96 HydrophobicContact CB-CD1 4.06Å; C81-H103 PolarHBondContact SG-NE2 2.84Å
82R85Confident81.6Confident246 Ų24688.3 Ų88.393%0.92846%0.463SS*.  trans-106.85.8176.6-64.4-178.6179.7160.9-2.1112.9
83Y77.7Confident81.9Confident122 Ų12287.7 Ų87.748%0.47846%0.456SS..SBendtrans-74.4133.7178.5-170.8-94.6000110.2G85 C86 H103Y83-G85 PolarHBondContact O-N 2.85Å; Y83-C86 HydrophobicContact CD1-CB 4.34Å; Y83-C86 WeakPolarHBondContact O-CB 3.32Å; Y83-C86 PolarHBondContact O-N 2.83Å; Y83-H103 HydrophobicContact CD1-CB 4.33Å; Y83-H103 AromaticContact CD1-CE1 3.91Å; Y83-H103 AromaticContact CD1-CG 3.91Å; Y83-H103 AromaticContact CD1-ND1 3.67Å; Y83-H103 HydrophobicContact CD2-CB 3.57Å; Y83-H103 AromaticContact CD2-CG 3.87Å; Y83-H103 HydrophobicContact CE2-CB 3.75Å; Y83-H103 HydrophobicContact CG-CB 3.86Å; Y83-H103 AromaticContact CG-CD2 3.77Å; Y83-H103 AromaticContact CG-CG 3.6Å; Y83-H103 AromaticContact CG-ND1 3.88Å
84P74.8Confident82.1Confident109 Ų10986.2 Ų86.271%0.70846%0.455SS*.THydrogen-bonded Turntrans-53.2131.1-179.3-27.435.5000112.5C86P84-C86 VanDerWaalsContact C-N 3.25Å; P84-C86 PolarHBondContact O-N 3.19Å
85G74Confident82.3Confident89 Ų8986.5 Ų86.592%0.91845%0.454SS*.THydrogen-bonded Turntrans72.18.5-177.600000115.6Y83Y83-G85 PolarHBondContact O-N 2.85Å
86C73.9Confident82.6Confident21 Ų2185.4 Ų85.414%0.14244%0.436CS..  trans-11396.5175.5-160.90000113.1C81 Y83 P84 K88 H99 H103C81-C86 HydrophobicContact CB-CB 4.43Å; Y83-C86 HydrophobicContact CD1-CB 4.34Å; Y83-C86 WeakPolarHBondContact O-CB 3.32Å; Y83-C86 PolarHBondContact O-N 2.83Å; P84-C86 VanDerWaalsContact C-N 3.25Å; P84-C86 PolarHBondContact O-N 3.19Å; C86-K88 PolarHBondContact O-N 2.99Å; C86-H99 PolarHBondContact SG-NE2 3.28Å; C86-H103 VanDerWaalsContact SG-CE1 3.5Å
87E80.1Confident82.7Confident193 Ų19386.6 Ų86.690%0.90244%0.441SS*.  trans-81.112.2-179.5-57.9-178.416100114.2A89E87-A89 PolarHBondContact O-N 3.34Å
88K78.1Confident82.4Confident121 Ų12182.5 Ų82.553%0.52643%0.428SS..  trans-70.9129.5-175-73.4-174.8175.6-177.80111.9C81 C86 F90C81-K88 WeakPolarHBondContact CB-O 3.5Å; C81-K88 PolarHBondContact N-O 3.33Å; C86-K88 PolarHBondContact O-N 2.99Å; K88-F90 HydrophobicContact CB-CE2 3.75Å; K88-F90 HydrophobicContact CB-CZ 3.92Å; K88-F90 HydrophobicContact CD-CZ 4.35Å
89A83.5Confident82.1Confident26 Ų2680.5 Ų80.522%0.21541%0.414CS..EExtended strand (participates in β ladder)trans-120.4146.4175.200000112.1K77 Y79 K80 E87K77-A89 HydrophobicContact CB-CB 3.72Å; K77-A89 HydrophobicContact CD-CB 4.36Å; K77-A89 WeakPolarHBondContact CD-O 3.46Å; Y79-A89 WeakPolarHBondContact O-CA 3.37Å; K80-A89 HydrophobicContact CG-CB 3.99Å; E87-A89 PolarHBondContact O-N 3.34Å
90F84Confident81.6Confident42 Ų4279.2 Ų79.218%0.18442%0.415CS..EExtended strand (participates in β ladder)trans-129148.3-172-57.4-92.6000111.3K77 Y79 K88 N95 L96 H99K77-F90 CarbonylContact C-O 3.23Å; K77-F90 VanDerWaalsContact C-O 3.3Å; K77-F90 WeakPolarHBondContact CA-O 3.26Å; Y79-F90 WeakPolarHBondContact CD2-O 3.01Å; Y79-F90 PolarHBondContact N-O 3.27Å; Y79-F90 PolarHBondContact O-N 3.04Å; K88-F90 HydrophobicContact CB-CE2 3.75Å; K88-F90 HydrophobicContact CB-CZ 3.92Å; K88-F90 HydrophobicContact CD-CZ 4.35Å; F90-N95 HydrophobicContact CB-CB 4.28Å; F90-N95 HydrophobicContact CD1-CB 3.82Å; F90-N95 HydrophobicContact CG-CB 4.32Å; F90-L96 HydrophobicContact CB-CB 4.4Å; F90-L96 HydrophobicContact CD2-CB 4Å; F90-L96 HydrophobicContact CD2-CD1 3.91Å; F90-L96 HydrophobicContact CE2-CD1 4.08Å; F90-L96 HydrophobicContact CG-CB 4.34Å; F90-H99 HydrophobicContact CE1-CB 4.01Å; F90-H99 HydrophobicContact CE2-CB 3.89Å; F90-H99 AromaticContact CE2-CD2 3.26Å; F90-H99 WeakPolarHBondContact CE2-CD2 3.49Å; F90-H99 AromaticContact CE2-CG 3.69Å; F90-H99 HydrophobicContact CZ-CB 3.44Å; F90-H99 VanDerWaalsContact CZ-CB 3.44Å; F90-H99 AromaticContact CZ-CD2 3.37Å; F90-H99 WeakPolarHBondContact CZ-CD2 3.25Å; F90-H99 AromaticContact CZ-CG 3.31Å
91S85.9Confident81.2Confident30 Ų3077.2 Ų77.221%0.2140%0.404CS..SBendtrans-81.7-13.9175.852.30000113.6R71 E76 Y79R71-S91 WeakPolarHBondContact CD-O 3.35Å; R71-S91 PolarHBondContact NH1-O 3.41Å; E76-S91 WeakPolarHBondContact O-CB 3.48Å; Y79-S91 WeakPolarHBondContact CE2-O 3Å
92Q88Confident80.5Confident52 Ų5277.6 Ų77.624%0.24341%0.406CS..SBendtrans-132.4143.1-179.5-51.4-17013.400111.7Q68 S94 N95 L96Q68-Q92 VanDerWaalsContact CD-CD 3.47Å; Q68-Q92 VanDerWaalsContact CD-NE2 3.31Å; Q68-Q92 HydrophobicContact CG-CG 4.03Å; Q92-S94 PolarHBondContact OE1-OG 3.38Å; Q92-N95 HydrophobicContact CB-CB 4.4Å; Q92-N95 PolarHBondContact O-N 3.27Å; Q92-L96 PolarHBondContact O-N 3.24Å
93L87.4Confident79.8Confident80 Ų8068 Ų6842%0.41937%0.372SS..Hα-helixtrans-68.7-38.9179.9-178.661.4000112.3Y79 N95 L96 Q97Y79-L93 HydrophobicContact CD1-CB 4.09Å; Y79-L93 HydrophobicContact CD1-CD1 3.92Å; Y79-L93 HydrophobicContact CD2-CB 4.49Å; Y79-L93 HydrophobicContact CE1-CB 3.92Å; Y79-L93 HydrophobicContact CE1-CD1 4.29Å; Y79-L93 HydrophobicContact CE2-CB 4.31Å; Y79-L93 HydrophobicContact CG-CB 4.38Å; L93-N95 VanDerWaalsContact C-N 3.25Å; L93-N95 PolarHBondContact O-N 3.14Å; L93-L96 HydrophobicContact CD1-CD2 4.37Å; L93-L96 CarbonylContact O-C 3.59Å; L93-L96 WeakPolarHBondContact O-CA 2.97Å; L93-L96 WeakPolarHBondContact O-CB 3.14Å; L93-L96 PolarHBondContact O-N 3.4Å; L93-L96 VanDerWaalsContact O-N 3.08Å; L93-Q97 HydrophobicContact CG-CG 4.5Å; L93-Q97 WeakPolarHBondContact O-CG 3.48Å; L93-Q97 PolarHBondContact O-N 3.05Å
94S84.1Confident79.3Confident53 Ų5369.8 Ų69.837%0.37139%0.385SS..Hα-helixtrans-53.1-42.4173450000112.2Q92 Q97 S98Q92-S94 PolarHBondContact OE1-OG 3.38Å; S94-Q97 PolarHBondContact O-N 3.13Å; S94-S98 PolarHBondContact O-N 2.64Å; S94-S98 PolarHBondContact O-OG 2.84Å
95N83.4Confident78.3Confident70 Ų7069 Ų6937%0.37438%0.377SS..Hα-helixtrans-70.7-35.8178.6-63.92.1000111.5F90 Q92 L93 H99F90-N95 HydrophobicContact CB-CB 4.28Å; F90-N95 HydrophobicContact CD1-CB 3.82Å; F90-N95 HydrophobicContact CG-CB 4.32Å; Q92-N95 HydrophobicContact CB-CB 4.4Å; Q92-N95 PolarHBondContact O-N 3.27Å; L93-N95 VanDerWaalsContact C-N 3.25Å; L93-N95 PolarHBondContact O-N 3.14Å; N95-H99 VanDerWaalsContact O-CB 3.25Å; N95-H99 WeakPolarHBondContact O-CB 3.43Å; N95-H99 PolarHBondContact O-N 2.91Å
96L84.2Confident77.4Confident28 Ų2872.4 Ų72.415%0.14738%0.375CS..Hα-helixtrans-65.5-40.9170.8174.761.7000111.5C81 F90 Q92 L93 H99 S100C81-L96 HydrophobicContact CB-CD1 4.06Å; F90-L96 HydrophobicContact CB-CB 4.4Å; F90-L96 HydrophobicContact CD2-CB 4Å; F90-L96 HydrophobicContact CD2-CD1 3.91Å; F90-L96 HydrophobicContact CE2-CD1 4.08Å; F90-L96 HydrophobicContact CG-CB 4.34Å; Q92-L96 PolarHBondContact O-N 3.24Å; L93-L96 HydrophobicContact CD1-CD2 4.37Å; L93-L96 CarbonylContact O-C 3.59Å; L93-L96 WeakPolarHBondContact O-CA 2.97Å; L93-L96 WeakPolarHBondContact O-CB 3.14Å; L93-L96 PolarHBondContact O-N 3.4Å; L93-L96 VanDerWaalsContact O-N 3.08Å; L96-H99 CarbonylContact O-C 3.56Å; L96-H99 PolarHBondContact O-N 2.01Å; L96-S100 PolarHBondContact O-N 3.07Å; L96-S100 PolarHBondContact O-OG 3.17Å
97Q83.6Confident76.8Confident114 Ų11476.4 Ų76.453%0.53339%0.39SS..Hα-helixtrans-64.9-44.4176.8-72.5174.5-47.200111.9L93 S94 H99 S100 R101L93-Q97 HydrophobicContact CG-CG 4.5Å; L93-Q97 WeakPolarHBondContact O-CG 3.48Å; L93-Q97 PolarHBondContact O-N 3.05Å; S94-Q97 PolarHBondContact O-N 3.13Å; Q97-H99 VanDerWaalsContact C-N 3.27Å; Q97-H99 PolarHBondContact O-N 3.38Å; Q97-S100 WeakPolarHBondContact CA-OG 3.38Å; Q97-S100 PolarHBondContact O-N 3.45Å; Q97-S100 PolarHBondContact O-OG 2.89Å; Q97-R101 PolarHBondContact O-N 3.49Å
98S78.2Confident76.1Confident35 Ų3571.1 Ų71.125%0.24537%0.372CS..Hα-helixtrans-60.2-40.2172.1-73.30000111.6S94 R101S94-S98 PolarHBondContact O-N 2.64Å; S94-S98 PolarHBondContact O-OG 2.84Å; S98-R101 WeakPolarHBondContact O-CB 3.45Å; S98-R101 PolarHBondContact OG-NH2 3.49Å
99H80.4Confident75.6Confident15 Ų1569 Ų697%0.06936%0.362CS..Hα-helixtrans-69.2-36.2175.2174.348.8000113.8C86 F90 N95 L96 Q97 R101 C102 H103C86-H99 PolarHBondContact SG-NE2 3.28Å; F90-H99 HydrophobicContact CE1-CB 4.01Å; F90-H99 HydrophobicContact CE2-CB 3.89Å; F90-H99 AromaticContact CE2-CD2 3.26Å; F90-H99 WeakPolarHBondContact CE2-CD2 3.49Å; F90-H99 AromaticContact CE2-CG 3.69Å; F90-H99 HydrophobicContact CZ-CB 3.44Å; F90-H99 VanDerWaalsContact CZ-CB 3.44Å; F90-H99 AromaticContact CZ-CD2 3.37Å; F90-H99 WeakPolarHBondContact CZ-CD2 3.25Å; F90-H99 AromaticContact CZ-CG 3.31Å; N95-H99 VanDerWaalsContact O-CB 3.25Å; N95-H99 WeakPolarHBondContact O-CB 3.43Å; N95-H99 PolarHBondContact O-N 2.91Å; L96-H99 CarbonylContact O-C 3.56Å; L96-H99 PolarHBondContact O-N 2.01Å; Q97-H99 VanDerWaalsContact C-N 3.27Å; Q97-H99 PolarHBondContact O-N 3.38Å; H99-R101 PolarHBondContact O-N 3.31Å; H99-C102 PolarHBondContact ND1-SG 3.06Å; H99-C102 VanDerWaalsContact ND1-SG 3.38Å; H99-C102 WeakPolarHBondContact O-CA 3.38Å; H99-C102 WeakPolarHBondContact O-CB 3.45Å; H99-C102 PolarHBondContact O-N 3.22Å; H99-C102 PolarHBondContact O-SG 2.99Å; H99-H103 AromaticContact CD2-NE2 3.92Å; H99-H103 AromaticContact CE1-CE1 3.55Å; H99-H103 AromaticContact CE1-NE2 3.24Å; H99-H103 PolarHBondContact CE1-NE2 3.41Å; H99-H103 AromaticContact NE2-CE1 3.73Å; H99-H103 AromaticContact NE2-NE2 3.04Å; H99-H103 PolarHBondContact NE2-NE2 3.33Å
100S77.7Confident74.6Confident45 Ų4573.1 Ų73.132%0.31538%0.375SS..Hα-helixtrans-66.1-26-18053.80000112.4L96 Q97 C102 H103L96-S100 PolarHBondContact O-N 3.07Å; L96-S100 PolarHBondContact O-OG 3.17Å; Q97-S100 WeakPolarHBondContact CA-OG 3.38Å; Q97-S100 PolarHBondContact O-N 3.45Å; Q97-S100 PolarHBondContact O-OG 2.89Å; S100-C102 PolarHBondContact O-N 2.78Å; S100-H103 PolarHBondContact O-N 3.41Å
101R75.2Confident74.2Confident112 Ų11271.2 Ų71.242%0.42337%0.366SS..Hα-helixtrans-59.3-27.6168.5-63.4-175.7-68.6-178.3-6.2112.9Q97 S98 H99 H103Q97-R101 PolarHBondContact O-N 3.49Å; S98-R101 WeakPolarHBondContact O-CB 3.45Å; S98-R101 PolarHBondContact OG-NH2 3.49Å; H99-R101 PolarHBondContact O-N 3.31Å; R101-H103 PolarHBondContact O-N 2.9Å; R101-H103 VanDerWaalsContact O-N 3.13Å
102C70.2Confident73.3Confident27 Ų2775.8 Ų75.818%0.18239%0.389CS..Hα-helixtrans-59.3-21.6173.2-59.10000114.4H99 S100 C119H99-C102 PolarHBondContact ND1-SG 3.06Å; H99-C102 VanDerWaalsContact ND1-SG 3.38Å; H99-C102 WeakPolarHBondContact O-CA 3.38Å; H99-C102 WeakPolarHBondContact O-CB 3.45Å; H99-C102 PolarHBondContact O-N 3.22Å; H99-C102 PolarHBondContact O-SG 2.99Å; S100-C102 PolarHBondContact O-N 2.78Å; C102-C119 WeakPolarHBondContact CA-SG 3.44Å; C102-C119 HydrophobicContact CB-CB 3.91Å; C102-C119 WeakPolarHBondContact CB-SG 3.17Å; C102-C119 WeakPolarHBondContact SG-CB 3.25Å; C102-C119 CovalentContact SG-SG 2.01Å; C102-C119 PolarHBondContact SG-SG 2.93Å
103H71.4Confident72.2Confident44 Ų4476.9 Ų76.920%0.20440%0.402CS..Hα-helixtrans-106.8-15.6-169.5-59.9-50000113.4C81 Y83 C86 H99 S100 R101C81-H103 PolarHBondContact SG-NE2 2.84Å; Y83-H103 HydrophobicContact CD1-CB 4.33Å; Y83-H103 AromaticContact CD1-CE1 3.91Å; Y83-H103 AromaticContact CD1-CG 3.91Å; Y83-H103 AromaticContact CD1-ND1 3.67Å; Y83-H103 HydrophobicContact CD2-CB 3.57Å; Y83-H103 AromaticContact CD2-CG 3.87Å; Y83-H103 HydrophobicContact CE2-CB 3.75Å; Y83-H103 HydrophobicContact CG-CB 3.86Å; Y83-H103 AromaticContact CG-CD2 3.77Å; Y83-H103 AromaticContact CG-CG 3.6Å; Y83-H103 AromaticContact CG-ND1 3.88Å; C86-H103 VanDerWaalsContact SG-CE1 3.5Å; H99-H103 AromaticContact CD2-NE2 3.92Å; H99-H103 AromaticContact CE1-CE1 3.55Å; H99-H103 AromaticContact CE1-NE2 3.24Å; H99-H103 PolarHBondContact CE1-NE2 3.41Å; H99-H103 AromaticContact NE2-CE1 3.73Å; H99-H103 AromaticContact NE2-NE2 3.04Å; H99-H103 PolarHBondContact NE2-NE2 3.33Å; S100-H103 PolarHBondContact O-N 3.41Å; R101-H103 PolarHBondContact O-N 2.9Å; R101-H103 VanDerWaalsContact O-N 3.13Å
104Q66.9Low71.4Confident160 Ų16073.3 Ų73.375%0.74838%0.383SS*.Hα-helixtrans-97.7-25.3-176.2-71.9-177.9-41.900113.2
105T54.9Low70.4Confident91 Ų9175.7 Ų75.756%0.55839%0.385SS*.SBendtrans-143.4154.5178.351.30000111.5K107T105-K107 PolarHBondContact O-N 2.88Å
106D54.6Low69.2Low161 Ų16177.2 Ų77.286%0.86139%0.389SS*.  trans-52.7114.4171.9-85.6-58.6000110.2P108D106-P108 WeakPolarHBondContact O-CA 3.21Å; D106-P108 WeakPolarHBondContact O-CD 3.26Å
107K60.3Low68.3Low105 Ų10578.2 Ų78.246%0.45740%0.397SS..  trans-37.797.8-177.5-67166.9179.9174.60111.3T105 Y109 C117 F118T105-K107 PolarHBondContact O-N 2.88Å; K107-Y109 VanDerWaalsContact C-N 3.27Å; K107-Y109 PolarHBondContact O-N 3.1Å; K107-C117 HydrophobicContact CB-CB 3.31Å; K107-C117 HydrophobicContact CD-CB 3.76Å; K107-C117 HydrophobicContact CG-CB 4.22Å; K107-C117 WeakPolarHBondContact O-CB 3.49Å; K107-F118 CarbonylContact C-O 3.47Å
108P65.2Low67.6Low83 Ų8374.6 Ų74.654%0.53938%0.38SS..  trans-76.6-18.1-15924.3-30.9000112.9D106 K110D106-P108 WeakPolarHBondContact O-CA 3.21Å; D106-P108 WeakPolarHBondContact O-CD 3.26Å; P108-K110 PolarHBondContact O-N 3.27Å
109Y68Low67.2Low76 Ų7673.8 Ų73.830%0.29837%0.374SS..EExtended strand (participates in β ladder)trans-96.188.6-176.6-57.3-77.3000110.5K107 C117 F118 D120 E121K107-Y109 VanDerWaalsContact C-N 3.27Å; K107-Y109 PolarHBondContact O-N 3.1Å; Y109-C117 CarbonylContact O-C 3.51Å; Y109-C117 WeakPolarHBondContact O-CA 3.46Å; Y109-F118 PolarHBondContact N-O 3.08Å; Y109-F118 WeakPolarHBondContact O-CD2 3.45Å; Y109-F118 PolarHBondContact O-N 3.3Å; Y109-D120 VanDerWaalsContact CD2-CA 3.48Å; Y109-D120 VanDerWaalsContact CE2-CA 3.48Å; Y109-E121 HydrophobicContact CD1-CB 3.88Å; Y109-E121 HydrophobicContact CD1-CG 4.17Å; Y109-E121 HydrophobicContact CE1-CB 3.52Å; Y109-E121 HydrophobicContact CE1-CG 3.96Å
110K64.1Low66.8Low112 Ų11274.5 Ų74.549%0.48738%0.378SS..EExtended strand (participates in β ladder)trans-87131.9179.3-164.1-179.3-160.4-169.60111.3P108 Y115P108-K110 PolarHBondContact O-N 3.27Å; K110-Y115 HydrophobicContact CD-CD1 4.35Å
111C74.2Confident66.9Low2 Ų277.7 Ų77.71%0.01439%0.388CS..  trans-82.6117.7169.9179.20000111S113 C114 Y115 K116 F118 L124 H127 H131C111-S113 VanDerWaalsContact C-N 3.27Å; C111-S113 PolarHBondContact O-N 3.02Å; C111-C114 PolarHBondContact O-N 3.43Å; C111-Y115 WeakPolarHBondContact O-CA 3.44Å; C111-Y115 PolarHBondContact O-N 3.49Å; C111-K116 WeakPolarHBondContact CB-O 3.46Å; C111-K116 PolarHBondContact N-O 3.29Å; C111-F118 HydrophobicContact CB-CE2 4.02Å; C111-L124 HydrophobicContact CB-CD1 3.53Å; C111-H127 PolarHBondContact SG-NE2 3.23Å; C111-H131 PolarHBondContact SG-NE2 3.29Å
112N67.4Low67Low127 Ų12777.6 Ų77.668%0.67939%0.393SS*.THydrogen-bonded Turntrans-65.8-26.6-178.6-67.6-6.4000113.8
113S64.1Low67.5Low74 Ų7478.6 Ų78.652%0.51740%0.4SS..THydrogen-bonded Turntrans-78.4-21.9-178.5-47.90000114.7C111C111-S113 VanDerWaalsContact C-N 3.27Å; C111-S113 PolarHBondContact O-N 3.02Å
114C70.8Confident67.8Low5 Ų577.6 Ų77.63%0.03440%0.396CS..THydrogen-bonded Turntrans-140.90.1-177.874.70000115.4C111 K116 H127 V139 S148C111-C114 PolarHBondContact O-N 3.43Å; C114-K116 PolarHBondContact O-N 3.38Å; C114-H127 PolarHBondContact SG-NE2 3.32Å; C114-V139 HydrophobicContact CB-CB 4.37Å; C114-V139 HydrophobicContact CB-CG1 4.11Å; C114-V139 HydrophobicContact CB-CG2 3.64Å; C114-S148 WeakPolarHBondContact O-CB 3.45Å; C114-S148 PolarHBondContact O-OG 3.21Å
115Y62.8Low68.6Low103 Ų10374 Ų7440%0.40438%0.381SS..  trans5416.7-177.2-51.7-75.1000115.6K110 C111 C117 I141K110-Y115 HydrophobicContact CD-CD1 4.35Å; C111-Y115 WeakPolarHBondContact O-CA 3.44Å; C111-Y115 PolarHBondContact O-N 3.49Å; Y115-C117 PolarHBondContact O-N 2.84Å; Y115-I141 HydrophobicContact CD2-CD1 3.41Å; Y115-I141 VanDerWaalsContact CD2-CD1 3.41Å; Y115-I141 HydrophobicContact CD2-CG1 4.37Å; Y115-I141 HydrophobicContact CE2-CD1 3.44Å; Y115-I141 VanDerWaalsContact CE2-CD1 3.44Å
116K59.5Low69.8Low103 Ų10374 Ų7445%0.44838%0.378SS..  trans-67.1130.2164.7-75.5-176.7174.9177.50109.2C111 C114 F118C111-K116 WeakPolarHBondContact CB-O 3.46Å; C111-K116 PolarHBondContact N-O 3.29Å; C114-K116 PolarHBondContact O-N 3.38Å; K116-F118 HydrophobicContact CB-CE2 3.77Å; K116-F118 HydrophobicContact CB-CZ 4Å; K116-F118 WeakPolarHBondContact O-CD2 3.44Å; K116-F118 VanDerWaalsContact O-CE2 3.29Å; K116-F118 WeakPolarHBondContact O-CE2 3.5Å
117C63.8Low71Confident48 Ų4867.4 Ų67.432%0.32434%0.342SS..EExtended strand (participates in β ladder)trans-98.3142.7174.2-45.30000110.8K107 Y109 Y115K107-C117 HydrophobicContact CB-CB 3.31Å; K107-C117 HydrophobicContact CD-CB 3.76Å; K107-C117 HydrophobicContact CG-CB 4.22Å; K107-C117 WeakPolarHBondContact O-CB 3.49Å; Y109-C117 CarbonylContact O-C 3.51Å; Y109-C117 WeakPolarHBondContact O-CA 3.46Å; Y115-C117 PolarHBondContact O-N 2.84Å
118F69.2Low71.6Confident38 Ų3865.7 Ų65.717%0.16734%0.337CS..EExtended strand (participates in β ladder)trans-120.7159.9-176.6-61.8-92.5000110.1K107 Y109 C111 K116 L124 H127K107-F118 CarbonylContact C-O 3.47Å; Y109-F118 PolarHBondContact N-O 3.08Å; Y109-F118 WeakPolarHBondContact O-CD2 3.45Å; Y109-F118 PolarHBondContact O-N 3.3Å; C111-F118 HydrophobicContact CB-CE2 4.02Å; K116-F118 HydrophobicContact CB-CE2 3.77Å; K116-F118 HydrophobicContact CB-CZ 4Å; K116-F118 WeakPolarHBondContact O-CD2 3.44Å; K116-F118 VanDerWaalsContact O-CE2 3.29Å; K116-F118 WeakPolarHBondContact O-CE2 3.5Å; F118-L124 HydrophobicContact CB-CB 4.3Å; F118-L124 HydrophobicContact CD2-CB 4.1Å; F118-L124 HydrophobicContact CD2-CD1 3.97Å; F118-L124 HydrophobicContact CE2-CD1 4.18Å; F118-L124 HydrophobicContact CG-CB 4.28Å; F118-H127 HydrophobicContact CE1-CB 4.01Å; F118-H127 HydrophobicContact CE2-CB 4.25Å; F118-H127 AromaticContact CE2-CD2 3.23Å; F118-H127 WeakPolarHBondContact CE2-CD2 3.09Å; F118-H127 AromaticContact CE2-CG 3.81Å; F118-H127 AromaticContact CE2-NE2 3.78Å; F118-H127 HydrophobicContact CZ-CB 3.68Å; F118-H127 AromaticContact CZ-CD2 3.18Å; F118-H127 WeakPolarHBondContact CZ-CD2 3.48Å; F118-H127 AromaticContact CZ-CG 3.28Å; F118-H127 AromaticContact CZ-ND1 3.85Å; F118-H127 AromaticContact CZ-NE2 3.68Å
119C70.1Confident72.3Confident18 Ų1864.7 Ų64.712%0.12233%0.33CS..SBendtrans-102.7-6.6-171.4-38.30000113.1C102C102-C119 WeakPolarHBondContact CA-SG 3.44Å; C102-C119 HydrophobicContact CB-CB 3.91Å; C102-C119 WeakPolarHBondContact CB-SG 3.17Å; C102-C119 WeakPolarHBondContact SG-CB 3.25Å; C102-C119 CovalentContact SG-SG 2.01Å; C102-C119 PolarHBondContact SG-SG 2.93Å
120D73.5Confident72.5Confident30 Ų3067 Ų6716%0.1634%0.342CS..SBendtrans-147.7154.917254.773.7000109.3Y109 S123Y109-D120 VanDerWaalsContact CD2-CA 3.48Å; Y109-D120 VanDerWaalsContact CE2-CA 3.48Å; D120-S123 PolarHBondContact O-N 3.25Å; D120-S123 WeakPolarHBondContact OD1-CB 3.34Å; D120-S123 PolarHBondContact OD1-N 3.06Å; D120-S123 PolarHBondContact OD1-OG 3.4Å; D120-S123 PolarHBondContact OD2-OG 3.35Å
121E77.8Confident72.5Confident113 Ų11363.1 Ų63.153%0.52833%0.325SS..Hα-helixtrans-65.2-39.9-176-168.7173.4179.200112Y109 S123 L124 L125Y109-E121 HydrophobicContact CD1-CB 3.88Å; Y109-E121 HydrophobicContact CD1-CG 4.17Å; Y109-E121 HydrophobicContact CE1-CB 3.52Å; Y109-E121 HydrophobicContact CE1-CG 3.96Å; E121-S123 VanDerWaalsContact C-N 3.33Å; E121-S123 PolarHBondContact O-N 3.27Å; E121-L124 WeakPolarHBondContact O-CA 3.09Å; E121-L124 WeakPolarHBondContact O-CB 3.37Å; E121-L124 PolarHBondContact O-N 3.02Å; E121-L125 HydrophobicContact CG-CD1 4.2Å; E121-L125 HydrophobicContact CG-CG 4.44Å; E121-L125 WeakPolarHBondContact O-CG 3.37Å; E121-L125 PolarHBondContact O-N 2.88Å
122Q79.3Confident71.9Confident110 Ų11071.5 Ų71.551%0.51436%0.362SS..Hα-helixtrans-62.2-40.8-179.2-167.463.151.400111.5L124 L125 D126Q122-L124 PolarHBondContact O-N 2.92Å; Q122-L125 PolarHBondContact O-N 2.76Å; Q122-L125 VanDerWaalsContact O-N 3.14Å; Q122-D126 PolarHBondContact NE2-OD1 3.39Å; Q122-D126 WeakPolarHBondContact O-CB 3.32Å; Q122-D126 VanDerWaalsContact O-CG 3.24Å; Q122-D126 PolarHBondContact O-N 3.28Å
123S79.6Confident71.3Confident47 Ų4773.4 Ų73.433%0.32937%0.366SS..Hα-helixtrans-63-27.8175-64.30000113.4D120 E121 H127D120-S123 PolarHBondContact O-N 3.25Å; D120-S123 WeakPolarHBondContact OD1-CB 3.34Å; D120-S123 PolarHBondContact OD1-N 3.06Å; D120-S123 PolarHBondContact OD1-OG 3.4Å; D120-S123 PolarHBondContact OD2-OG 3.35Å; E121-S123 VanDerWaalsContact C-N 3.33Å; E121-S123 PolarHBondContact O-N 3.27Å; S123-H127 WeakPolarHBondContact O-CB 3.25Å; S123-H127 PolarHBondContact O-N 3.42Å
124L78.8Confident70.5Confident24 Ų2472.4 Ų72.413%0.12636%0.359CS..Hα-helixtrans-75.9-44.3171.5171.960.9000110.9C111 F118 E121 Q122 H127 I128C111-L124 HydrophobicContact CB-CD1 3.53Å; F118-L124 HydrophobicContact CB-CB 4.3Å; F118-L124 HydrophobicContact CD2-CB 4.1Å; F118-L124 HydrophobicContact CD2-CD1 3.97Å; F118-L124 HydrophobicContact CE2-CD1 4.18Å; F118-L124 HydrophobicContact CG-CB 4.28Å; E121-L124 WeakPolarHBondContact O-CA 3.09Å; E121-L124 WeakPolarHBondContact O-CB 3.37Å; E121-L124 PolarHBondContact O-N 3.02Å; Q122-L124 PolarHBondContact O-N 2.92Å; L124-H127 WeakPolarHBondContact O-CA 3.36Å; L124-H127 WeakPolarHBondContact O-CB 3.36Å; L124-H127 PolarHBondContact O-N 3.12Å; L124-I128 HydrophobicContact CD1-CD1 3.98Å; L124-I128 HydrophobicContact CD1-CG1 4Å; L124-I128 HydrophobicContact CG-CD1 3.91Å; L124-I128 HydrophobicContact CG-CG1 4.42Å; L124-I128 WeakPolarHBondContact O-CG1 3.35Å; L124-I128 PolarHBondContact O-N 3.46Å
125L82Confident69.5Low83 Ų8381.1 Ų81.144%0.43540%0.397SS..Hα-helixtrans-62.9-40.9177.5-67.9174.2000112.4E121 Q122 H127 I128 P129E121-L125 HydrophobicContact CG-CD1 4.2Å; E121-L125 HydrophobicContact CG-CG 4.44Å; E121-L125 WeakPolarHBondContact O-CG 3.37Å; E121-L125 PolarHBondContact O-N 2.88Å; Q122-L125 PolarHBondContact O-N 2.76Å; Q122-L125 VanDerWaalsContact O-N 3.14Å; L125-H127 PolarHBondContact O-N 3.24Å; L125-I128 HydrophobicContact CD2-CD1 4.5Å; L125-P129 WeakPolarHBondContact O-CD 3.45Å
126D80.6Confident68.8Low91 Ų9184.5 Ų84.549%0.48742%0.416SS..THydrogen-bonded Turntrans-69.9-15.9174.1-66.6-4.5000112.7Q122 K130Q122-D126 PolarHBondContact NE2-OD1 3.39Å; Q122-D126 WeakPolarHBondContact O-CB 3.32Å; Q122-D126 VanDerWaalsContact O-CG 3.24Å; Q122-D126 PolarHBondContact O-N 3.28Å; D126-K130 WeakPolarHBondContact O-CE 3.34Å
127H79.1Confident68.7Low24 Ų2483.2 Ų83.211%0.11141%0.413CS..THydrogen-bonded Turntrans-93.5-36.6179.3168.561.4000113C111 C114 F118 S123 L124 L125 K130 H131C111-H127 PolarHBondContact SG-NE2 3.23Å; C114-H127 PolarHBondContact SG-NE2 3.32Å; F118-H127 HydrophobicContact CE1-CB 4.01Å; F118-H127 HydrophobicContact CE2-CB 4.25Å; F118-H127 AromaticContact CE2-CD2 3.23Å; F118-H127 WeakPolarHBondContact CE2-CD2 3.09Å; F118-H127 AromaticContact CE2-CG 3.81Å; F118-H127 AromaticContact CE2-NE2 3.78Å; F118-H127 HydrophobicContact CZ-CB 3.68Å; F118-H127 AromaticContact CZ-CD2 3.18Å; F118-H127 WeakPolarHBondContact CZ-CD2 3.48Å; F118-H127 AromaticContact CZ-CG 3.28Å; F118-H127 AromaticContact CZ-ND1 3.85Å; F118-H127 AromaticContact CZ-NE2 3.68Å; S123-H127 WeakPolarHBondContact O-CB 3.25Å; S123-H127 PolarHBondContact O-N 3.42Å; L124-H127 WeakPolarHBondContact O-CA 3.36Å; L124-H127 WeakPolarHBondContact O-CB 3.36Å; L124-H127 PolarHBondContact O-N 3.12Å; L125-H127 PolarHBondContact O-N 3.24Å; H127-K130 VanDerWaalsContact O-CB 3.3Å; H127-K130 WeakPolarHBondContact O-CB 3.43Å; H127-K130 PolarHBondContact O-N 2.97Å; H127-H131 AromaticContact CD2-NE2 3.66Å; H127-H131 AromaticContact CE1-CE1 3.49Å; H127-H131 PolarHBondContact CE1-CE1 3.1Å; H127-H131 VanDerWaalsContact CE1-CE1 3.49Å; H127-H131 AromaticContact CE1-NE2 3.19Å; H127-H131 PolarHBondContact CE1-NE2 3.14Å; H127-H131 AromaticContact NE2-CE1 3.56Å; H127-H131 AromaticContact NE2-NE2 2.91Å; H127-H131 PolarHBondContact NE2-NE2 2.97Å
128I74.3Confident68.4Low69 Ų6988.5 Ų88.535%0.35443%0.431SS..THydrogen-bonded Turntrans-54.4-44.1-178.6-74.4161.1000113.4L124 L125 K130 H131L124-I128 HydrophobicContact CD1-CD1 3.98Å; L124-I128 HydrophobicContact CD1-CG1 4Å; L124-I128 HydrophobicContact CG-CD1 3.91Å; L124-I128 HydrophobicContact CG-CG1 4.42Å; L124-I128 WeakPolarHBondContact O-CG1 3.35Å; L124-I128 PolarHBondContact O-N 3.46Å; L125-I128 HydrophobicContact CD2-CD1 4.5Å; I128-K130 PolarHBondContact O-N 3.41Å; I128-K130 VanDerWaalsContact O-N 3.14Å; I128-H131 PolarHBondContact O-N 3.45Å
129P79.3Confident68.2Low61 Ų6188 Ų8840%0.39643%0.431SS..Hα-helixtrans-55.1-30.2175.9-29.635.8000114.2L125 H131 K132 E133L125-P129 WeakPolarHBondContact O-CD 3.45Å; P129-H131 PolarHBondContact O-N 3.15Å; P129-H131 VanDerWaalsContact O-N 3.15Å; P129-K132 WeakPolarHBondContact O-CB 3.32Å; P129-K132 PolarHBondContact O-N 2.93Å; P129-E133 PolarHBondContact O-N 2.87Å; P129-E133 VanDerWaalsContact O-N 3.13Å
130K71.3Confident68.4Low125 Ų12589.5 Ų89.554%0.54344%0.436SS..Hα-helixtrans-66.2-18.7-179.6-55.7-179.5-179.1173.30112.4D126 H127 I128 S134D126-K130 WeakPolarHBondContact O-CE 3.34Å; H127-K130 VanDerWaalsContact O-CB 3.3Å; H127-K130 WeakPolarHBondContact O-CB 3.43Å; H127-K130 PolarHBondContact O-N 2.97Å; I128-K130 PolarHBondContact O-N 3.41Å; I128-K130 VanDerWaalsContact O-N 3.14Å; K130-S134 WeakPolarHBondContact O-CB 3.46Å; K130-S134 PolarHBondContact O-N 2.99Å; K130-S134 PolarHBondContact O-OG 3.18Å
131H66Low68.3Low30 Ų3091.4 Ų91.414%0.13945%0.445CS..Hα-helixtrans-84.6-27.8169.5-56.1-58.1000113.3C111 H127 I128 P129 S134C111-H131 PolarHBondContact SG-NE2 3.29Å; H127-H131 AromaticContact CD2-NE2 3.66Å; H127-H131 AromaticContact CE1-CE1 3.49Å; H127-H131 PolarHBondContact CE1-CE1 3.1Å; H127-H131 VanDerWaalsContact CE1-CE1 3.49Å; H127-H131 AromaticContact CE1-NE2 3.19Å; H127-H131 PolarHBondContact CE1-NE2 3.14Å; H127-H131 AromaticContact NE2-CE1 3.56Å; H127-H131 AromaticContact NE2-NE2 2.91Å; H127-H131 PolarHBondContact NE2-NE2 2.97Å; I128-H131 PolarHBondContact O-N 3.45Å; P129-H131 PolarHBondContact O-N 3.15Å; P129-H131 VanDerWaalsContact O-N 3.15Å; H131-S134 CarbonylContact O-C 3.58Å
132K61Low68.3Low179 Ų17986 Ų8678%0.77842%0.421SS*.Hα-helixtrans-71.1-41.5176.3-78.7-172.2171.1-176.60111.8P129P129-K132 WeakPolarHBondContact O-CB 3.32Å; P129-K132 PolarHBondContact O-N 2.93Å
133E53.5Low68.1Low167 Ų16784.9 Ų84.978%0.7842%0.423SS*.Hα-helixtrans-71-35.3172.9-66.2174.4174.700111.1P129 K135P129-E133 PolarHBondContact O-N 2.87Å; P129-E133 VanDerWaalsContact O-N 3.13Å; E133-K135 PolarHBondContact O-N 3.04Å
134S48.6Very low67.6Low53 Ų5386.3 Ų86.337%0.37142%0.421SS..  trans-93.565.9179.6-48.70000113K130 H131 H136 L137K130-S134 WeakPolarHBondContact O-CB 3.46Å; K130-S134 PolarHBondContact O-N 2.99Å; K130-S134 PolarHBondContact O-OG 3.18Å; H131-S134 CarbonylContact O-C 3.58Å; S134-H136 PolarHBondContact O-N 3.07Å; S134-L137 PolarHBondContact O-N 3.33Å; S134-L137 VanDerWaalsContact O-N 3.09Å
135K49.5Very low67.5Low187 Ų18787.9 Ų87.981%0.81343%0.433SS*.THydrogen-bonded Turntrans-54-10.3176.2-141.7178.1-172.9-178.40114.6E133E133-K135 PolarHBondContact O-N 3.04Å
136H47.9Very low66.9Low175 Ų17586.2 Ų86.281%0.8144%0.436SS*.THydrogen-bonded Turntrans-127.113-178.3-68.5-78.2000115.7S134 K138S134-H136 PolarHBondContact O-N 3.07Å; H136-K138 PolarHBondContact O-N 3.41Å
137L57.1Low66.3Low75 Ų7587.7 Ų87.739%0.39344%0.439SS..  trans-75.873.5174.5-162.773.1000111S134 V139 T150S134-L137 PolarHBondContact O-N 3.33Å; S134-L137 VanDerWaalsContact O-N 3.09Å; L137-V139 WeakPolarHBondContact O-CG2 3.39Å; L137-V139 PolarHBondContact O-N 3.28Å; L137-T150 HydrophobicContact CD2-CG2 4.47Å
138K57.4Low66.1Low159 Ų15988.1 Ų88.169%0.69144%0.444SS*.  trans-63.1103.5175.6-169.9172.5-173.31730108.8H136 H140H136-K138 PolarHBondContact O-N 3.41Å; K138-H140 PolarHBondContact O-CD2 3.41Å; K138-H140 PolarHBondContact O-N 3.17Å
139V65.5Low66Low29 Ų2987.3 Ų87.318%0.17644%0.437CS..  trans-83120.1-175.9-1600000109.1C114 L137 Y149C114-V139 HydrophobicContact CB-CB 4.37Å; C114-V139 HydrophobicContact CB-CG1 4.11Å; C114-V139 HydrophobicContact CB-CG2 3.64Å; L137-V139 WeakPolarHBondContact O-CG2 3.39Å; L137-V139 PolarHBondContact O-N 3.28Å; V139-Y149 WeakPolarHBondContact CG1-O 3.44Å
140H73.9Confident65.7Low49 Ų4987.5 Ų87.523%0.22744%0.437CS..EExtended strand (participates in β ladder)trans-91.1111.1-175.1-74.2-87.3000109.8K138 Y149 A152 L155K138-H140 PolarHBondContact O-CD2 3.41Å; K138-H140 PolarHBondContact O-N 3.17Å; H140-Y149 PolarHBondContact N-O 3.34Å; H140-Y149 WeakPolarHBondContact O-CB 3.41Å; H140-Y149 WeakPolarHBondContact O-CD2 3.21Å; H140-Y149 PolarHBondContact O-N 3.22Å; H140-A152 PolarHBondContact CD2-N 2.87Å; H140-A152 VanDerWaalsContact CD2-N 3.3Å; H140-L155 HydrophobicContact CB-CB 3.82Å; H140-L155 HydrophobicContact CB-CD2 3.79Å; H140-L155 HydrophobicContact CB-CG 4.32Å
141I71.2Confident65.8Low69 Ų6986.3 Ų86.335%0.35443%0.433SS..EExtended strand (participates in β ladder)trans-100.6137.3-174-55166.9000109.9Y115 P143Y115-I141 HydrophobicContact CD2-CD1 3.41Å; Y115-I141 VanDerWaalsContact CD2-CD1 3.41Å; Y115-I141 HydrophobicContact CD2-CG1 4.37Å; Y115-I141 HydrophobicContact CE2-CD1 3.44Å; Y115-I141 VanDerWaalsContact CE2-CD1 3.44Å; I141-P143 WeakPolarHBondContact O-CD 3.37Å
142C79.1Confident66.4Low1 Ų187 Ų871%0.00744%0.444CS..  trans-73117.8172.5179.50000111.5Y144 C145 G146 K147 L155 M159 H162C142-Y144 PolarHBondContact O-N 3.42Å; C142-Y144 PolarHBondContact SG-N 3.04Å; C142-C145 PolarHBondContact O-N 3.12Å; C142-C145 PolarHBondContact SG-SG 3.43Å; C142-G146 WeakPolarHBondContact O-CA 3.42Å; C142-G146 PolarHBondContact O-N 2.66Å; C142-K147 HydrophobicContact CB-CB 4.45Å; C142-K147 WeakPolarHBondContact CB-O 3.25Å; C142-K147 PolarHBondContact N-O 3.02Å; C142-L155 HydrophobicContact CB-CD1 3.95Å; C142-M159 HydrophobicContact CB-CE 3.83Å; C142-M159 WeakPolarHBondContact SG-CE 3.3Å; C142-H162 PolarHBondContact SG-NE2 2.89Å
143P73.5Confident67.4Low86 Ų8681.2 Ų81.256%0.55843%0.43SS*.THydrogen-bonded Turntrans-64.7-30.4177.326.1-32.9000112.2I141I141-P143 WeakPolarHBondContact O-CD 3.37Å
144Y70.7Confident68.8Low77 Ų7778.9 Ų78.930%0.30242%0.415SS..THydrogen-bonded Turntrans-76.8-16.8-179.4-54.3-85.7000115.6C142 M159 H162 K165 P167C142-Y144 PolarHBondContact O-N 3.42Å; C142-Y144 PolarHBondContact SG-N 3.04Å; Y144-M159 HydrophobicContact CD2-SD 4.09Å; Y144-M159 HydrophobicContact CE2-SD 4.08Å; Y144-H162 HydrophobicContact CD1-CB 4.32Å; Y144-H162 HydrophobicContact CD2-CB 3.9Å; Y144-H162 AromaticContact CD2-CD2 3.93Å; Y144-H162 AromaticContact CD2-CG 3.93Å; Y144-H162 HydrophobicContact CE2-CB 4.33Å; Y144-H162 HydrophobicContact CG-CB 3.92Å; Y144-H162 AromaticContact CG-CG 3.84Å; Y144-K165 VanDerWaalsContact CE1-O 3.24Å; Y144-K165 WeakPolarHBondContact CE1-O 3.3Å; Y144-P167 HydrophobicContact CD1-CB 4.35Å; Y144-P167 VanDerWaalsContact CE1-CA 3.43Å; Y144-P167 HydrophobicContact CE1-CB 3.76Å
145C75.6Confident70.5Confident56 Ų5677.6 Ų77.638%0.37840%0.403SS..THydrogen-bonded Turntrans-157.410.3-174.574.50000116.6C142 K147 H158C142-C145 PolarHBondContact O-N 3.12Å; C142-C145 PolarHBondContact SG-SG 3.43Å; C145-K147 PolarHBondContact O-N 3.39Å; C145-H158 PolarHBondContact SG-NE2 3.05Å
146G68.7Low72.1Confident48 Ų4872.3 Ų72.350%0.49539%0.39SS..  trans68.4-4.4175.600000116.6C142 S148C142-G146 WeakPolarHBondContact O-CA 3.42Å; C142-G146 PolarHBondContact O-N 2.66Å; G146-S148 PolarHBondContact O-N 3.5Å
147K68.6Low73.8Confident123 Ų12371.3 Ų71.354%0.53538%0.383SS..  trans-62.8128.6178.4-69.3-179.2-175.9-179.80110.8C142 C145 Y149C142-K147 HydrophobicContact CB-CB 4.45Å; C142-K147 WeakPolarHBondContact CB-O 3.25Å; C142-K147 PolarHBondContact N-O 3.02Å; C145-K147 PolarHBondContact O-N 3.39Å; K147-Y149 HydrophobicContact CB-CE2 3.83Å; K147-Y149 WeakPolarHBondContact O-CD2 3.23Å; K147-Y149 WeakPolarHBondContact O-CE2 3.28Å
148S75.1Confident75Confident32 Ų3268.6 Ų68.622%0.22437%0.369CS..EExtended strand (participates in β ladder)trans-102.9140.4-176.972.50000112.6C114 G146C114-S148 WeakPolarHBondContact O-CB 3.45Å; C114-S148 PolarHBondContact O-OG 3.21Å; G146-S148 PolarHBondContact O-N 3.5Å
149Y72.9Confident76.1Confident53 Ų5363.3 Ų63.321%0.20835%0.347CS..EExtended strand (participates in β ladder)trans-127143.1-174.5-63.8-88.7000110.4V139 H140 K147 Q151 L155 H158V139-Y149 WeakPolarHBondContact CG1-O 3.44Å; H140-Y149 PolarHBondContact N-O 3.34Å; H140-Y149 WeakPolarHBondContact O-CB 3.41Å; H140-Y149 WeakPolarHBondContact O-CD2 3.21Å; H140-Y149 PolarHBondContact O-N 3.22Å; K147-Y149 HydrophobicContact CB-CE2 3.83Å; K147-Y149 WeakPolarHBondContact O-CD2 3.23Å; K147-Y149 WeakPolarHBondContact O-CE2 3.28Å; Y149-Q151 VanDerWaalsContact C-N 3.31Å; Y149-Q151 PolarHBondContact O-N 3.14Å; Y149-L155 HydrophobicContact CD2-CB 4.16Å; Y149-L155 HydrophobicContact CD2-CD1 3.66Å; Y149-L155 HydrophobicContact CE2-CD1 4.02Å; Y149-L155 HydrophobicContact CG-CB 4.35Å; Y149-H158 HydrophobicContact CE1-CB 4.18Å; Y149-H158 HydrophobicContact CE2-CB 4.03Å; Y149-H158 AromaticContact CE2-CD2 3.44Å; Y149-H158 VanDerWaalsContact CE2-CD2 3.44Å; Y149-H158 WeakPolarHBondContact CE2-CD2 3.03Å; Y149-H158 AromaticContact CE2-CG 3.9Å; Y149-H158 AromaticContact CZ-CD2 3.56Å; Y149-H158 AromaticContact CZ-CG 3.59Å; Y149-H158 PolarHBondContact OH-CD2 2.99Å
150T72.9Confident77.1Confident64 Ų6466.9 Ų66.939%0.39337%0.369SS..SBendtrans-81-7.8-179.448.40000114L137L137-T150 HydrophobicContact CD2-CG2 4.47Å
151Q72.4Confident77.4Confident100 Ų10071.9 Ų71.947%0.46739%0.39SS..SBendtrans-145145.1178-57.8179.24.200110.3Y149 A153 Y154 L155Y149-Q151 VanDerWaalsContact C-N 3.31Å; Y149-Q151 PolarHBondContact O-N 3.14Å; Q151-A153 VanDerWaalsContact C-N 3.29Å; Q151-A153 PolarHBondContact O-N 3.13Å; Q151-Y154 HydrophobicContact CB-CD2 3.79Å; Q151-Y154 HydrophobicContact CB-CE2 4.22Å; Q151-Y154 HydrophobicContact CG-CD2 4.1Å; Q151-Y154 HydrophobicContact CG-CE2 4.08Å; Q151-Y154 PolarHBondContact O-N 3.32Å; Q151-L155 PolarHBondContact O-N 3.28Å
152A78.8Confident77.8Confident45 Ų4569.5 Ų69.537%0.37238%0.378SS..Hα-helixtrans-55.8-41.217700000112.8H140 Y154 L155 S156H140-A152 PolarHBondContact CD2-N 2.87Å; H140-A152 VanDerWaalsContact CD2-N 3.3Å; A152-Y154 VanDerWaalsContact C-N 3.29Å; A152-Y154 PolarHBondContact O-N 3.47Å; A152-L155 CarbonylContact O-C 3.6Å; A152-L155 WeakPolarHBondContact O-CA 3.32Å; A152-L155 WeakPolarHBondContact O-CB 3.23Å; A152-L155 PolarHBondContact O-N 2.88Å; A152-S156 PolarHBondContact O-N 3.37Å; A152-S156 PolarHBondContact O-OG 3.12Å
153A83.5Confident77.4Confident57 Ų5773.2 Ų73.247%0.47141%0.408SS..Hα-helixtrans-60.6-35.5-178.400000113.3Q151 S156 K157Q151-A153 VanDerWaalsContact C-N 3.29Å; Q151-A153 PolarHBondContact O-N 3.13Å; A153-S156 PolarHBondContact O-N 3.2Å; A153-K157 WeakPolarHBondContact O-CB 3.48Å; A153-K157 WeakPolarHBondContact O-CG 3.4Å; A153-K157 PolarHBondContact O-N 3.23Å
154Y82Confident77Confident119 Ų11976.9 Ų76.947%0.46742%0.423SS..Hα-helixtrans-74.3-32.1174.9-62.5-51.3000112.4Q151 A152 H158Q151-Y154 HydrophobicContact CB-CD2 3.79Å; Q151-Y154 HydrophobicContact CB-CE2 4.22Å; Q151-Y154 HydrophobicContact CG-CD2 4.1Å; Q151-Y154 HydrophobicContact CG-CE2 4.08Å; Q151-Y154 PolarHBondContact O-N 3.32Å; A152-Y154 VanDerWaalsContact C-N 3.29Å; A152-Y154 PolarHBondContact O-N 3.47Å; Y154-H158 WeakPolarHBondContact O-CB 3.31Å; Y154-H158 PolarHBondContact O-N 2.87Å
155L83.4Confident76.4Confident25 Ų2579.2 Ų79.213%0.13144%0.435CS..Hα-helixtrans-63.7-49.2168.9-179.470.1000110.3H140 C142 Y149 Q151 A152 K157 H158 M159H140-L155 HydrophobicContact CB-CB 3.82Å; H140-L155 HydrophobicContact CB-CD2 3.79Å; H140-L155 HydrophobicContact CB-CG 4.32Å; C142-L155 HydrophobicContact CB-CD1 3.95Å; Y149-L155 HydrophobicContact CD2-CB 4.16Å; Y149-L155 HydrophobicContact CD2-CD1 3.66Å; Y149-L155 HydrophobicContact CE2-CD1 4.02Å; Y149-L155 HydrophobicContact CG-CB 4.35Å; Q151-L155 PolarHBondContact O-N 3.28Å; A152-L155 CarbonylContact O-C 3.6Å; A152-L155 WeakPolarHBondContact O-CA 3.32Å; A152-L155 WeakPolarHBondContact O-CB 3.23Å; A152-L155 PolarHBondContact O-N 2.88Å; L155-K157 PolarHBondContact O-N 3.11Å; L155-H158 CarbonylContact O-C 3.59Å; L155-H158 WeakPolarHBondContact O-CA 3.27Å; L155-H158 VanDerWaalsContact O-CB 3.31Å; L155-H158 WeakPolarHBondContact O-CB 3.39Å; L155-H158 PolarHBondContact O-N 3.02Å; L155-M159 HydrophobicContact CD1-CE 3.37Å; L155-M159 HydrophobicContact CD1-SD 4.24Å; L155-M159 HydrophobicContact CG-CE 3.97Å; L155-M159 HydrophobicContact CG-CG 4.44Å; L155-M159 HydrophobicContact CG-SD 4.39Å; L155-M159 WeakPolarHBondContact O-CG 3.34Å; L155-M159 PolarHBondContact O-N 2.89Å
156S83.8Confident75Confident76 Ų7685.9 Ų85.953%0.53146%0.457SS..Hα-helixtrans-60.2-43179-59.20000112.4A152 A153 H158 M159A152-S156 PolarHBondContact O-N 3.37Å; A152-S156 PolarHBondContact O-OG 3.12Å; A153-S156 PolarHBondContact O-N 3.2Å; S156-H158 PolarHBondContact O-N 3.12Å; S156-M159 PolarHBondContact O-N 2.88Å; S156-M159 VanDerWaalsContact O-N 3.12Å
157K84.4Confident73.7Confident155 Ų15588 Ų8867%0.67446%0.462SS*.Hα-helixtrans-64.7-18.6171.4-74.3-175.8178.3-174.90113.9A153 L155 T160A153-K157 WeakPolarHBondContact O-CB 3.48Å; A153-K157 WeakPolarHBondContact O-CG 3.4Å; A153-K157 PolarHBondContact O-N 3.23Å; L155-K157 PolarHBondContact O-N 3.11Å; K157-T160 PolarHBondContact O-OG1 3.33Å; K157-T160 VanDerWaalsContact O-OG1 3.08Å
158H82Confident72.5Confident17 Ų1787 Ų878%0.07947%0.466CS..Hα-helixtrans-87-32.2170.7176.245.9000112.5C145 Y149 Y154 L155 S156 T160 K161 H162C145-H158 PolarHBondContact SG-NE2 3.05Å; Y149-H158 HydrophobicContact CE1-CB 4.18Å; Y149-H158 HydrophobicContact CE2-CB 4.03Å; Y149-H158 AromaticContact CE2-CD2 3.44Å; Y149-H158 VanDerWaalsContact CE2-CD2 3.44Å; Y149-H158 WeakPolarHBondContact CE2-CD2 3.03Å; Y149-H158 AromaticContact CE2-CG 3.9Å; Y149-H158 AromaticContact CZ-CD2 3.56Å; Y149-H158 AromaticContact CZ-CG 3.59Å; Y149-H158 PolarHBondContact OH-CD2 2.99Å; Y154-H158 WeakPolarHBondContact O-CB 3.31Å; Y154-H158 PolarHBondContact O-N 2.87Å; L155-H158 CarbonylContact O-C 3.59Å; L155-H158 WeakPolarHBondContact O-CA 3.27Å; L155-H158 VanDerWaalsContact O-CB 3.31Å; L155-H158 WeakPolarHBondContact O-CB 3.39Å; L155-H158 PolarHBondContact O-N 3.02Å; S156-H158 PolarHBondContact O-N 3.12Å; H158-T160 PolarHBondContact O-N 3.3Å; H158-K161 WeakPolarHBondContact O-CB 3.38Å; H158-K161 PolarHBondContact O-N 3.37Å; H158-H162 AromaticContact CD2-NE2 3.93Å; H158-H162 AromaticContact CE1-CD2 4Å; H158-H162 AromaticContact CE1-NE2 3.23Å; H158-H162 PolarHBondContact CE1-NE2 3.45Å; H158-H162 AromaticContact NE2-CD2 3.88Å; H158-H162 AromaticContact NE2-NE2 3.04Å; H158-H162 PolarHBondContact NE2-NE2 3.3Å
159M80.9Confident70.7Confident48 Ų4894.4 Ų94.424%0.23649%0.494CS..Hα-helixtrans-59.7-30.6179-64.9-52.383.500112.5C142 Y144 L155 S156 K161 H162C142-M159 HydrophobicContact CB-CE 3.83Å; C142-M159 WeakPolarHBondContact SG-CE 3.3Å; Y144-M159 HydrophobicContact CD2-SD 4.09Å; Y144-M159 HydrophobicContact CE2-SD 4.08Å; L155-M159 HydrophobicContact CD1-CE 3.37Å; L155-M159 HydrophobicContact CD1-SD 4.24Å; L155-M159 HydrophobicContact CG-CE 3.97Å; L155-M159 HydrophobicContact CG-CG 4.44Å; L155-M159 HydrophobicContact CG-SD 4.39Å; L155-M159 WeakPolarHBondContact O-CG 3.34Å; L155-M159 PolarHBondContact O-N 2.89Å; S156-M159 PolarHBondContact O-N 2.88Å; S156-M159 VanDerWaalsContact O-N 3.12Å; M159-K161 PolarHBondContact O-N 3.45Å; M159-K161 VanDerWaalsContact O-N 3.09Å; M159-H162 PolarHBondContact O-N 3.08Å
160T85.1Confident69Low104 Ų10497 Ų9764%0.63852%0.518SS*.G310 helixtrans-59.2-20.2173.5620000113.5K157 H158 H162K157-T160 PolarHBondContact O-OG1 3.33Å; K157-T160 VanDerWaalsContact O-OG1 3.08Å; H158-T160 PolarHBondContact O-N 3.3Å; T160-H162 VanDerWaalsContact C-N 3.27Å; T160-H162 PolarHBondContact O-N 2.96Å
161K81Confident67.2Low155 Ų155100.4 Ų100.467%0.67454%0.538SS*.G310 helixtrans-83-0.1174.1-54.7-165.7176.6-166.30114H158 M159H158-K161 WeakPolarHBondContact O-CB 3.38Å; H158-K161 PolarHBondContact O-N 3.37Å; M159-K161 PolarHBondContact O-N 3.45Å; M159-K161 VanDerWaalsContact O-N 3.09Å
162H79.1Confident65.4Low19 Ų19101.1 Ų101.19%0.08855%0.55CS..G310 helixtrans-120.917.7173.8-55.5-74000111.8C142 Y144 H158 M159 T160 D164 K165C142-H162 PolarHBondContact SG-NE2 2.89Å; Y144-H162 HydrophobicContact CD1-CB 4.32Å; Y144-H162 HydrophobicContact CD2-CB 3.9Å; Y144-H162 AromaticContact CD2-CD2 3.93Å; Y144-H162 AromaticContact CD2-CG 3.93Å; Y144-H162 HydrophobicContact CE2-CB 4.33Å; Y144-H162 HydrophobicContact CG-CB 3.92Å; Y144-H162 AromaticContact CG-CG 3.84Å; H158-H162 AromaticContact CD2-NE2 3.93Å; H158-H162 AromaticContact CE1-CD2 4Å; H158-H162 AromaticContact CE1-NE2 3.23Å; H158-H162 PolarHBondContact CE1-NE2 3.45Å; H158-H162 AromaticContact NE2-CD2 3.88Å; H158-H162 AromaticContact NE2-NE2 3.04Å; H158-H162 PolarHBondContact NE2-NE2 3.3Å; M159-H162 PolarHBondContact O-N 3.08Å; T160-H162 VanDerWaalsContact C-N 3.27Å; T160-H162 PolarHBondContact O-N 2.96Å; H162-D164 PolarHBondContact O-N 3.41Å; H162-K165 HydrophobicContact CB-CB 4.3Å; H162-K165 PolarHBondContact O-N 2.82Å
163A70.8Confident63.1Low78 Ų78102.2 Ų102.265%0.64557%0.565SS**THydrogen-bonded Turntrans-51.1-34.5-177.200000113.3
164D65.6Low60.5Low163 Ų163104 Ų10487%0.87258%0.58SS**THydrogen-bonded Turntrans-102.310.7-176.9-40-71000113.8H162H162-D164 PolarHBondContact O-N 3.41Å
165K58.1Low58.1Low127 Ų127106.3 Ų106.355%0.55260%0.595SS**  trans-113.4120.1-170.6-62.3-173.3-179.2-178.60112.1Y144 H162Y144-K165 VanDerWaalsContact CE1-O 3.24Å; Y144-K165 WeakPolarHBondContact CE1-O 3.3Å; H162-K165 HydrophobicContact CB-CB 4.3Å; H162-K165 PolarHBondContact O-N 2.82Å
166K45Very low55.7Low196 Ų196112.5 Ų112.585%0.85262%0.623SS**PPolyproline II helixtrans-60.9143.7169.7-73.5-174.8178.1179.30110.5V168K166-V168 PolarHBondContact O-N 3.41Å
167P41.8Very low52.9Low91 Ų91117.1 Ų117.159%0.59164%0.636SS**PPolyproline II helixtrans-65.2130.5-178.424.9-33.3000111.7Y144Y144-P167 HydrophobicContact CD1-CB 4.35Å; Y144-P167 VanDerWaalsContact CE1-CA 3.43Å; Y144-P167 HydrophobicContact CE1-CB 3.76Å
168V43.8Very low50.1Low102 Ų102117.2 Ų117.262%0.61864%0.643SS**PPolyproline II helixtrans-69.7139.5162.5-170.50000107.3K166K166-V168 PolarHBondContact O-N 3.41Å
169K37.4Very low47.6Very low188 Ų188125.4 Ų125.482%0.81767%0.673SS**PPolyproline II helixtrans-56.5143.5-173.7-64.5-179.9-178.5179.10111.1V171K169-V171 PolarHBondContact O-N 3.03Å
170P36.2Very low45.2Very low109 Ų109129.8 Ų129.871%0.70870%0.702SS**PPolyproline II helixtrans-62.9138.1178.5-16.529.4000111T172P170-T172 PolarHBondContact O-N 2.84Å
171V36.2Very low42.6Very low135 Ų135135.9 Ų135.982%0.81871%0.713SS**  trans-73.396.5160.3-179.70000106.7K169K169-V171 PolarHBondContact O-N 3.03Å
172T35.4Very low40Very low115 Ų115136 Ų13671%0.70672%0.717SS**  trans-69.3134178.444.70000110.4P170 A174P170-T172 PolarHBondContact O-N 2.84Å; T172-A174 PolarHBondContact O-N 2.93Å
173G29.6Very low37.9Very low67 Ų67140.9 Ų140.969%0.69174%0.743SS**SBendtrans-71.3100.1-170.200000114.1
174A28Very low36.2Very low95 Ų95143.2 Ų143.279%0.78576%0.755SS**  trans-131.97.5169.200000114T172T172-A174 PolarHBondContact O-N 2.93Å
175E33Very low34.4Very low168 Ų168142.5 Ų142.579%0.78575%0.75SS**  trans-116.937.4-177.4-60.1-177.8128.600112.3
176Q32.3Very low33.1Very low155 Ų155142.6 Ų142.672%0.72477%0.766SS**  trans-87.4-5-171.4-71.4-170.3-14.900115.3
177H26.2Very low32.4Very low172 Ų172137.8 Ų137.880%0.79676%0.762SS**SBendtrans-139.1147.4177.1-78.1-93.3000111.8
178L25.5Very low31.7Very low158 Ų158140.3 Ų140.383%0.82778%0.776SS**  trans62.295.4-172.2-78.376.9000115.9
179W28.8Very low31Very low189 Ų189140.7 Ų140.772%0.71678%0.78SS**  trans-157.178.1134.8-85.398.3000107.9E182 N183W179-E182 HydrophobicContact CE3-CB 4.29Å; W179-E182 HydrophobicContact CZ3-CB 3.76Å; W179-N183 HydrophobicContact CZ3-CB 4.25Å
180V30.6Very low30.5Very low139 Ų139137.1 Ų137.184%0.84278%0.779SS**SBendtrans-115.6109.8162.2174.10000105.9
181R30.1Very low30.4Very low232 Ų232140.3 Ų140.388%0.87579%0.788SS**SBendtrans55.994.7-172-71.8177.1158.5-174.9-6.2114.7
182E26.8Very low29.8Very low159 Ų159141.4 Ų141.474%0.74379%0.789SS**  trans-160.4164.4134.8-109.1149.4-149.900109.5W179W179-E182 HydrophobicContact CE3-CB 4.29Å; W179-E182 HydrophobicContact CZ3-CB 3.76Å
183N35.4Very low29.5Very low121 Ų121144.9 Ų144.965%0.64780%0.797SS**  trans54.873.3178-69.3-10000118.7W179 L185W179-N183 HydrophobicContact CZ3-CB 4.25Å; N183-L185 PolarHBondContact O-N 3.05Å; N183-L185 VanDerWaalsContact O-N 3.12Å
184S34.7Very low29.6Very low127 Ų127147.2 Ų147.289%0.88880%0.803SS**  trans-75.258145.4177.20000111.2
185L27.2Very low29.4Very low147 Ų147148.9 Ų148.977%0.7781%0.807SS**  trans-147.198.6175.2-80.2-178000112.6N183N183-L185 PolarHBondContact O-N 3.05Å; N183-L185 VanDerWaalsContact O-N 3.12Å
186C31Very low29.2Very low130 Ų130144.5 Ų144.588%0.87881%0.807SS**  trans-139.191.2156.1-590000105.7
187A29.9Very low28.9Very low94 Ų94144.2 Ų144.278%0.77781%0.811SS**  10985.888.400000109.7
188V27Very low29.1Very low145 Ų145145.6 Ų145.688%0.87982%0.817SS**  trans-88.6131.5157.4-165.90000106
189P30.4Very low29.1Very low109 Ų109142.1 Ų142.171%0.70881%0.811SS**  trans-80.1148.1-171.830.7-34.9000113.5
190S27.1Very low29Very low114 Ų114138.8 Ų138.880%0.79782%0.817SS**  trans61.799.5154.7-55.60000119.2
191I32.4Very low28.9Very low176 Ų176136.2 Ų136.290%0.90381%0.81SS**  -133.8136.4122.3-40.4177000107.3
192L24.9Very low28.6Very low157 Ų157130.8 Ų130.882%0.82281%0.808SS**  trans-91.2176.5176.1-148.379.5000109.8
193E29Very low28.8Very low188 Ų188128 Ų12888%0.87981%0.812SS**  trans92.1131.5178.6-55.5175.216500115.1
194S31.3Very low28.4Very low116 Ų116130.3 Ų130.381%0.81182%0.824SS**  cis-152.6164.4-15.363.50000110.1
195C23.1Very low28.7Very low130 Ų130128.9 Ų128.988%0.87881%0.811SS**  trans-75.3154.9-179.9-59.40000113.1
196G28.9Very low28.8Very low77 Ų77130.7 Ų130.779%0.79481%0.813SS**  trans-163.7114.216700000111.1
197D25.7Very low28.6Very low148 Ų148130.6 Ų130.679%0.79180%0.804SS**  trans-75.5153.9-170.6-55-88.8000114.9
198Q30.9Very low28.7Very low201 Ų201131.5 Ų131.594%0.93981%0.805SS**  175.2166108-90.9173.137.800112.5
199A25.3Very low28.6Very low85 Ų85134.3 Ų134.370%0.70281%0.805SS**  trans-124.4164.4-154.200000115.5
200S26.5Very low29Very low120 Ų120134.7 Ų134.784%0.83981%0.808SS**  trans64.7143.6158.4700000117.3
201A29.4Very low28.9Very low84 Ų84133.4 Ų133.469%0.69480%0.804SS**  cis-164.9155.432.300000113.4
202S24.2Very low28.8Very low119 Ų119133.3 Ų133.383%0.83280%0.8SS**  trans41.4109.6138.5-50.60000122.3
203A29.9Very low28.9Very low100 Ų100131.7 Ų131.783%0.82679%0.792SS**  178138.4114.300000113.4
204L27.9Very low28.9Very low170 Ų170130.3 Ų130.389%0.8979%0.785SS**  trans-131.7-176164-64.9177.8000106.6
205P40.6Very low28.8Very low97 Ų97131.6 Ų131.663%0.6378%0.78SS**  cis-127.9-172.3-19.223.80.1000112
206F29.4Very low29.2Very low185 Ų185133.2 Ų133.281%0.81178%0.777SS**  -174.3146114.6-108.8-78.4000114.4
207N27.9Very low29.2Very low127 Ų127138.2 Ų138.268%0.67978%0.779SS**  trans-51.9156.8-175.1-52.2-42.4000115.8
208S30.4Very low29.7Very low114 Ų114136.3 Ų136.380%0.79778%0.775SS**  -176.4148.969.7-60.10000114.9
209F26.7Very low29.6Very low203 Ų203136 Ų13689%0.8977%0.774SS**  trans-87.2-178.9158.7-89.7-88.3000110
210P37.7Very low29.6Very low118 Ų118138 Ų13877%0.76678%0.777SS**  cis-145171.61840.6-18.7000120.2
211A25.3Very low29.7Very low86 Ų86138.6 Ų138.671%0.71178%0.78SS**  trans16.9136.4148.300000124
212H31Very low29.3Very low174 Ų174139.3 Ų139.381%0.80679%0.786SS**  -168173.294.3-145-109.5000114.4
213N26.5Very low29.6Very low123 Ų123144 Ų14466%0.65879%0.787SS**  trans-82.1147.5-172.3-59.5-72.6000115.5
214H29Very low29.5Very low160 Ų160145.5 Ų145.574%0.74179%0.786SS**  173.8135104.9-116.7-99.4000116.1
215M28.1Very low29.7Very low142 Ų142142.7 Ų142.770%0.778%0.778SS**  trans42.6143.8139.7-80.5-178.2135.100126.4
216M33.1Very low29.3Very low165 Ų165145 Ų14581%0.81379%0.791SS**  trans90.7140.9157.2-60.1-43.8-176.700121.2
217Q27.4Very low29.2Very low181 Ų181139.5 Ų139.585%0.84679%0.785SS**  trans-86.6-170178.4-61178.5-14.600111.4
218P36.7Very low29.4Very low109 Ų109142.2 Ų142.271%0.70880%0.798SS**  -123.4178.1-55.234-19.9000110.6
219Q29.1Very low29.2Very low194 Ų194141.3 Ų141.391%0.90780%0.797SS**  trans-166.9165.3142.1-85.9-129.4-8.400112.1
220T25.1Very low29.4Very low126 Ų126137.3 Ų137.377%0.77379%0.794SS**  trans-100.5143.1-169.749.90000113.6
221C27.5Very low29.1Very low134 Ų134136.9 Ų136.991%0.90579%0.794SS**  trans-137.8137.9161-62.60000111
222A22.7Very low29.2Very low98 Ų98142 Ų14281%0.8181%0.806SS**  trans-105155167.800000109.8
223Y29.7Very low29.2Very low218 Ų218139 Ų13986%0.85581%0.811SS**  trans-150.2128.5167.2-122.8-87.8000112.4
224T27.3Very low29.2Very low132 Ų132138.1 Ų138.181%0.8182%0.821SS**  trans-142.5145.6160.149.30000106.8
225P33.5Very low29.4Very low111 Ų111135.7 Ų135.772%0.72183%0.829SS**  trans-138.3126.3150.430.4-13000113.9
226T30.2Very low29.3Very low146 Ų146132.1 Ų132.190%0.89683%0.828SS**  trans-67.3153.9144.547.10000109
227G27.7Very low29.3Very low68 Ų68133.7 Ų133.770%0.70184%0.836SS**  cis141.3146.47.800000109
228I32.9Very low29.6Very low185 Ų185131.4 Ų131.495%0.94983%0.834SS**  trans-156.8159.716540.3172000110.5
229A26.1Very low29.6Very low94 Ų94132 Ų13278%0.77784%0.838SS**  trans-136-178.2-16600000113.7
230S30.1Very low29.5Very low119 Ų119128.6 Ų128.683%0.83283%0.826SS**  trans105.5140.5176.7-49.80000114.1
231S32Very low29.8Very low109 Ų109128.9 Ų128.976%0.76283%0.831SS**  cis-166.6143.9-7.139.30000113
232M28.3Very low29.7Very low194 Ų194127.1 Ų127.196%0.95682%0.82SS**  trans20.7131.4151.4-58.9-178.3173.900123.2
233A30.1Very low29.9Very low110 Ų110126.8 Ų126.891%0.90982%0.817SS**  trans-156.6155.2133.600000109.9
234A27Very low30Very low106 Ų106126.7 Ų126.788%0.87682%0.821SS**  trans-133.4138-167.100000115.2
235A32.5Very low30.1Very low109 Ų109126.5 Ų126.590%0.90182%0.82SS**  trans177.9144.9155.500000105.1
236G26.1Very low30Very low67 Ų67131.9 Ų131.969%0.69183%0.826SS**  cis148.2154.315.900000106.5
237M33.1Very low30.1Very low198 Ų198133.8 Ų133.898%0.97583%0.829SS**  trans80.7117-179.5-54.1-178.3166.300117.9
238T34.6Very low30.2Very low132 Ų132135.2 Ų135.281%0.8184%0.835SS**  trans-78.8167.9158.152.70000110.1
239P35.2Very low30.1Very low121 Ų121129.7 Ų129.779%0.78682%0.823SS**  -148.8150.694.235.8-17.6000117.6
240D27.5Very low30.5Very low123 Ų123133 Ų13366%0.65883%0.827SS**  trans41.5121.5137.6-143.4-57.7000122.7S242D240-S242 PolarHBondContact OD1-OG 3.32Å; D240-S242 VanDerWaalsContact OD1-OG 3.06Å
241P32.2Very low30.7Very low133 Ų133134.1 Ų134.186%0.86482%0.824SS**  trans-94.990.6167.236.6-29.1000112.4
242S25.3Very low30.7Very low97 Ų97134.1 Ų134.168%0.67882%0.821SS**  trans-141.3157.5169.750.50000113D240D240-S242 PolarHBondContact OD1-OG 3.32Å; D240-S242 VanDerWaalsContact OD1-OG 3.06Å
243A27.5Very low30.9Very low90 Ų90132.9 Ų132.974%0.74482%0.818SS**  trans68.886.3-179.400000118.2
244F30.2Very low31Very low216 Ų216131.4 Ų131.495%0.94780%0.801SS**  -144.3101.6128.9-112.9-76.5000110.7
245T31.1Very low31.3Very low128 Ų128137.5 Ų137.579%0.78580%0.801SS**  trans-150.9140.9167.5-45.60000109.2
246R30.8Very low31.2Very low225 Ų225138 Ų13885%0.84979%0.794SS**  trans80.993.5172.3-48.5-167.1179.4-163.3-0.9117.4
247L31.6Very low31.2Very low185 Ų185144.7 Ų144.797%0.96980%0.804SS**  -115.4149.3104.7-80.9174.4000108.8
248A30.6Very low30.9Very low98 Ų98140 Ų14081%0.8180%0.796SS**  trans-144157.2-171.300000111.9
249G30.1Very low30.4Very low69 Ų69138.7 Ų138.771%0.71180%0.799SS**  trans111.2128.4-176.700000110.9
250L35Very low29.8Very low163 Ų163137.7 Ų137.785%0.85380%0.801SS**  cis-145.6165.65.2-59.1169.5000108
251N33.9Very low29.8Very low143 Ų143137.8 Ų137.877%0.76581%0.811SS**  cis-153.9149.1-5.6-133.6-0000109
252P32.1Very low29.7Very low110 Ų110137.1 Ų137.171%0.71481%0.81SS**  trans-103.1136.9-176.536.2-29.7000114.6
253L33Very low29.8Very low167 Ų167144.2 Ų144.287%0.87482%0.822SS**  trans-133.593.6154.1-80.1-178.5000111.6
254S32.5Very low29.7Very low80 Ų80144.5 Ų144.556%0.55982%0.819SS**  trans24.8121.7135.253.30000121.8
255R33.3Very low29.5Very low233 Ų233139.7 Ų139.788%0.87981%0.809SS**  78.9141.2128.6-63.1171-174.2-178.51.5117.7
256T30.7Very low29.2Very low121 Ų121142.5 Ų142.574%0.74281%0.806SS**  cis-160.1153.5-6.713.10000110.2
257F24.2Very low29Very low207 Ų207139.8 Ų139.891%0.90880%0.801SS**  trans-15.2128.1163.9-68.5-99.3000119.7
258A27.4Very low28.7Very low98 Ų98135.3 Ų135.381%0.8179%0.791SS**  -160.5145.3126.100000110.5A260A258-A260 PolarHBondContact O-N 2.81Å
259A24.2Very low28.5Very low105 Ų105140.8 Ų140.887%0.86879%0.792SS**  trans-64.8128.8-166.800000115.2
260A22.5Very low28.4Very low101 Ų101145.4 Ų145.484%0.83580%0.795SS**  trans-127.378.8165.500000110.3A258 S262A258-A260 PolarHBondContact O-N 2.81Å; A260-S262 PolarHBondContact O-N 2.83Å
261S27.4Very low27.9Very low124 Ų124145.5 Ų145.587%0.86780%0.797SS**PPolyproline II helixtrans-74.9122.9167.2-79.20000109.8
262S30.3Very low27.5Very low120 Ų120148 Ų14884%0.83980%0.801SS**PPolyproline II helixtrans-63.2141.6-17338.60000113.5A260A260-S262 PolarHBondContact O-N 2.83Å
263R27Very low27.2Very low245 Ų245152.2 Ų152.293%0.92581%0.808SS**PPolyproline II helixtrans-60.7135178.5-80.8174.3164.8167.7-6.6112.2
264S25.8Very low27Very low97 Ų97149.7 Ų149.768%0.67880%0.804SS**PPolyproline II helixtrans-59.3133161.6179.10000111.3
265P27Very low26.8Very low115 Ų115151.2 Ų151.275%0.74781%0.812SS**  trans-107.766173.638.8-31000112.1
266Y23.1Very low26.4Very low187 Ų187144.7 Ų144.773%0.73381%0.808SS**  trans-146.6133.2165-102.4-78.1000112.5
267F27.4Very low26.3Very low168 Ų168147.5 Ų147.574%0.73781%0.812SS**  trans63.191.1175.5-62.2-75.5000118.3Y269F267-Y269 HydrophobicContact CD1-CD2 4.11Å; F267-Y269 HydrophobicContact CD1-CE2 4.03Å; F267-Y269 HydrophobicContact CE1-CE2 4.1Å
268A26.3Very low26.6Very low91 Ų91142.8 Ų142.875%0.75280%0.803SS**  trans-122.2105.4141.500000108.2
269Y25.9Very low26.6Very low212 Ų212145.4 Ų145.483%0.83180%0.803SS**  trans-90.693.7160-88.9-83.2000106.5F267F267-Y269 HydrophobicContact CD1-CD2 4.11Å; F267-Y269 HydrophobicContact CD1-CE2 4.03Å; F267-Y269 HydrophobicContact CE1-CE2 4.1Å
270E27.4Very low26.8Very low166 Ų166145.4 Ų145.478%0.77680%0.803SS**  trans-82.4140.1173.5-72.8-166138.200111.6F272E270-F272 PolarHBondContact O-N 3.36Å; E270-F272 VanDerWaalsContact O-N 3.14Å
271N25.1Very low27Very low166 Ų166148.1 Ų148.189%0.88880%0.803SS**  trans-67.1105.5179.3-70.7-74.6000110.7K273N271-K273 PolarHBondContact O-N 3.41Å; N271-K273 VanDerWaalsContact O-N 3.1Å
272F26.1Very low27Very low195 Ų195146.8 Ų146.886%0.85579%0.793SS**  trans-74.3100.2164-93.2-87.7000110.3E270 S274E270-F272 PolarHBondContact O-N 3.36Å; E270-F272 VanDerWaalsContact O-N 3.14Å; F272-S274 PolarHBondContact O-N 2.91Å
273K25.4Very low26.9Very low199 Ų199150.3 Ų150.387%0.86580%0.796SS**  trans-57.5114156.4-110177.5174.3178.50108.2N271N271-K273 PolarHBondContact O-N 3.41Å; N271-K273 VanDerWaalsContact O-N 3.1Å
274S29Very low27.1Very low113 Ų113143.9 Ų143.979%0.7979%0.786SS**PPolyproline II helixtrans-70.9129.6168.7-64.50000110.2F272F272-S274 PolarHBondContact O-N 2.91Å
275P27.4Very low27.1Very low113 Ų113146.6 Ų146.673%0.73479%0.793SS**PPolyproline II helixtrans-75.2145.816231.9-31.6000109.8
276A24.5Very low27.1Very low96 Ų96152.1 Ų152.179%0.79380%0.801SS**PPolyproline II helixtrans-73.4142.8176.500000111.6
277H29.5Very low27.3Very low179 Ų179148.6 Ų148.683%0.82980%0.804SS**  trans-132121.8159.4-97.5-81.1000108.9
278P29.9Very low27.2Very low108 Ų108144.5 Ų144.570%0.70180%0.801SS**  trans-85161.6171.334.5-33.1000111.6
279N27.4Very low27.5Very low154 Ų154146 Ų14682%0.82480%0.803SS**  trans63.2101.5169.4-70.7-14.8000118.9
280A29.4Very low27.8Very low105 Ų105145.4 Ų145.487%0.86880%0.8SS**  trans-141.5113.2133.800000108.6
281L26.3Very low28.1Very low157 Ų157144.1 Ų144.182%0.82280%0.799SS**  trans-86.1158.9178.6-83.7164.1000111.8
282S27.3Very low28.8Very low96 Ų96141.7 Ų141.767%0.67178%0.782SS**  trans55.597.9158.361.40000119.4
283H28.8Very low29.4Very low194 Ų194138.1 Ų138.190%0.89877%0.771SS**  -147.2116.3128.5-87.6-65.5000109.9
284P30.4Very low30.6Very low110 Ų110130.2 Ų130.271%0.71474%0.738SS**  trans-84.8145.6170.633.5-30.9000110.8
285N25.8Very low31.6Very low155 Ų155133.3 Ų133.383%0.82973%0.732SS**  trans100.360-178.8-60.1-55.9000117.3
286Y26.7Very low32.8Very low231 Ų231133 Ų13391%0.90672%0.724SS**  trans-135.9124.5136.4-102.2-86.8000108.4A288Y286-A288 PolarHBondContact O-N 3.22Å
287S27.7Very low34.3Very low113 Ų113132.1 Ų132.179%0.7971%0.706SS**PPolyproline II helixtrans-58.9124.1173.342.70000109.1
288A25Very low35.6Very low82 Ų82126.9 Ų126.968%0.67868%0.684SS**PPolyproline II helixtrans-58.3127.4-174.700000110.5Y286 Y290Y286-A288 PolarHBondContact O-N 3.22Å; A288-Y290 PolarHBondContact O-N 3.3Å
289P32Very low37Very low122 Ų122122.4 Ų122.479%0.79265%0.654SS**PPolyproline II helixtrans-67.1119.4167.328.7-31000106.9N291P289-N291 PolarHBondContact O-N 3.42Å
290Y32Very low38.5Very low200 Ų200122.1 Ų122.178%0.78464%0.641SS**  trans-51111.8179.9-89-95.5000110.3A288 H292A288-Y290 PolarHBondContact O-N 3.3Å; Y290-H292 AromaticContact CD1-CD2 3.68Å; Y290-H292 AromaticContact CD1-NE2 3.51Å; Y290-H292 PolarHBondContact O-N 3.44Å
291N35.4Very low39.8Very low139 Ų139122 Ų12274%0.74363%0.626SS**  trans-80.650.4-177-154.5-7.2000110.7P289 L293P289-N291 PolarHBondContact O-N 3.42Å; N291-L293 PolarHBondContact O-N 3.33Å
292H38.2Very low41.3Very low115 Ų115119.7 Ų119.753%0.53261%0.607SS.*  trans-80.767.3170.4-72.7-55.1000109.5Y55 Y290 I294Y55-H292 WeakPolarHBondContact OH-CB 3.48Å; Y55-H292 PolarHBondContact OH-O 2.75Å; Y290-H292 AromaticContact CD1-CD2 3.68Å; Y290-H292 AromaticContact CD1-NE2 3.51Å; Y290-H292 PolarHBondContact O-N 3.44Å; H292-I294 PolarHBondContact O-N 2.8Å
293L40.2Very low42.8Very low120 Ų120115.8 Ų115.863%0.62858%0.581SS**  trans-61.591150.6-65.9176.5000107N291 R295N291-L293 PolarHBondContact O-N 3.33Å; L293-R295 PolarHBondContact O-N 2.85Å
294I50Low44.3Very low32 Ų32108.7 Ų108.716%0.16456%0.56CS.*  trans-47118.7162.5-60.9175.6000105.2Y55 L70 H292 L296 D298 I299Y55-I294 HydrophobicContact CE2-CD1 3.83Å; L70-I294 HydrophobicContact CD2-CD1 4.05Å; H292-I294 PolarHBondContact O-N 2.8Å; I294-L296 PolarHBondContact O-N 2.91Å; I294-D298 HydrophobicContact CG2-CB 3.83Å; I294-I299 HydrophobicContact CG2-CD1 4.31Å; I294-I299 HydrophobicContact CG2-CG1 3.9Å
295R49.6Very low45.8Very low179 Ų179110.4 Ų110.468%0.67556%0.558SS**  trans-61.9142.9-171.4-75.3-175.2170.6175.7-2.3107.5L293 D297 D298 I299L293-R295 PolarHBondContact O-N 2.85Å; R295-D297 HydrophobicContact CB-CB 4.42Å; R295-D297 PolarHBondContact O-N 3.33Å; R295-D298 PolarHBondContact N-OD2 2.81Å; R295-D298 WeakPolarHBondContact O-CB 3.28Å; R295-D298 PolarHBondContact O-N 3.08Å; R295-I299 PolarHBondContact O-N 3.3Å
296L51.8Low47.5Very low107 Ų107103.8 Ų103.856%0.5653%0.525SS*.Hα-helixtrans-55-25.1175.6-75.4166.8000111.2I294 I299 R300I294-L296 PolarHBondContact O-N 2.91Å; L296-I299 PolarHBondContact O-N 3.21Å; L296-R300 WeakPolarHBondContact O-CG 3.5Å; L296-R300 PolarHBondContact O-N 3.11Å
297D56.1Low49.3Very low77 Ų7794.8 Ų94.841%0.41250%0.499SS..Hα-helixtrans-68.2-41.4174.9-44.7-52.7000112.8R295 I299 R300 N301R295-D297 HydrophobicContact CB-CB 4.42Å; R295-D297 PolarHBondContact O-N 3.33Å; D297-I299 VanDerWaalsContact C-N 3.28Å; D297-I299 PolarHBondContact O-N 3.14Å; D297-R300 PolarHBondContact O-N 3.02Å; D297-R300 VanDerWaalsContact O-N 3.15Å; D297-R300 IonicContact OD1-CZ 3.69Å; D297-R300 IonicContact OD1-NH1 2.66Å; D297-R300 PolarHBondContact OD1-NH1 3.41Å; D297-R300 IonicContact OD1-NH2 3.91Å; D297-N301 PolarHBondContact O-N 3.39Å
298D58.2Low51Low69 Ų6992.1 Ų92.137%0.36948%0.483SS..Hα-helixtrans-60.8-42.9173.3-55.5-41.1000110.1I294 R295 R300 N301 Y302I294-D298 HydrophobicContact CG2-CB 3.83Å; R295-D298 PolarHBondContact N-OD2 2.81Å; R295-D298 WeakPolarHBondContact O-CB 3.28Å; R295-D298 PolarHBondContact O-N 3.08Å; D298-R300 VanDerWaalsContact C-N 3.33Å; D298-R300 PolarHBondContact O-N 3.44Å; D298-N301 PolarHBondContact O-N 3.33Å; D298-Y302 VanDerWaalsContact O-CD2 3.25Å; D298-Y302 WeakPolarHBondContact O-CD2 3.45Å; D298-Y302 PolarHBondContact O-N 3.08Å
299I59.6Low52.6Low14 Ų1491.1 Ų91.17%0.07248%0.475CS..Hα-helixtrans-64.2-37.2177.1-62.3173.1000111L63 Q67 L70 I294 R295 L296 D297 A303L63-I299 HydrophobicContact CD1-CG2 3.64Å; L63-I299 HydrophobicContact CG-CG2 4.32Å; Q67-I299 HydrophobicContact CG-CG2 3.97Å; L70-I299 HydrophobicContact CD1-CD1 3.62Å; L70-I299 HydrophobicContact CD1-CG1 4.27Å; I294-I299 HydrophobicContact CG2-CD1 4.31Å; I294-I299 HydrophobicContact CG2-CG1 3.9Å; R295-I299 PolarHBondContact O-N 3.3Å; L296-I299 PolarHBondContact O-N 3.21Å; D297-I299 VanDerWaalsContact C-N 3.28Å; D297-I299 PolarHBondContact O-N 3.14Å; I299-A303 WeakPolarHBondContact O-CB 3.38Å; I299-A303 PolarHBondContact O-N 3.16Å
300R58.4Low54.3Low147 Ų14785.5 Ų85.556%0.55544%0.439SS*.Hα-helixtrans-69.5-38.4173-72.3-163.8-14293.45112.4L296 D297 D298 A303 G304L296-R300 WeakPolarHBondContact O-CG 3.5Å; L296-R300 PolarHBondContact O-N 3.11Å; D297-R300 PolarHBondContact O-N 3.02Å; D297-R300 VanDerWaalsContact O-N 3.15Å; D297-R300 IonicContact OD1-CZ 3.69Å; D297-R300 IonicContact OD1-NH1 2.66Å; D297-R300 PolarHBondContact OD1-NH1 3.41Å; D297-R300 IonicContact OD1-NH2 3.91Å; D298-R300 VanDerWaalsContact C-N 3.33Å; D298-R300 PolarHBondContact O-N 3.44Å; R300-A303 CarbonylContact O-C 3.35Å; R300-A303 WeakPolarHBondContact O-CA 3.35Å; R300-A303 WeakPolarHBondContact O-CB 3.45Å; R300-A303 PolarHBondContact O-N 2.84Å; R300-A303 VanDerWaalsContact O-N 3.12Å; R300-G304 PolarHBondContact O-N 3.2Å
301N57.5Low56Low103 Ų10378.8 Ų78.855%0.55142%0.424SS*.Hα-helixtrans-65.6-45.3178.3-74.5-17.6000111.5D297 D298 A303 G304 Q305D297-N301 PolarHBondContact O-N 3.39Å; D298-N301 PolarHBondContact O-N 3.33Å; N301-A303 VanDerWaalsContact C-N 3.25Å; N301-A303 PolarHBondContact O-N 3.36Å; N301-G304 PolarHBondContact O-N 3.4Å; N301-Q305 PolarHBondContact O-N 3.46Å
302Y56.4Low57.5Low109 Ų10978.5 Ų78.543%0.42742%0.418SS..Hα-helixtrans-59.6-36.7169.4-81.4-65.6000112.2D298 A306D298-Y302 VanDerWaalsContact O-CD2 3.25Å; D298-Y302 WeakPolarHBondContact O-CD2 3.45Å; D298-Y302 PolarHBondContact O-N 3.08Å; Y302-A306 WeakPolarHBondContact O-CB 3.39Å; Y302-A306 PolarHBondContact O-N 3.48Å
303A58.5Low58.7Low14 Ų1477.9 Ų77.912%0.11642%0.416CS..Hα-helixtrans-66.5-41.117700000113.1F50 L63 I299 R300 N301 A307F50-A303 HydrophobicContact CD1-CB 4.3Å; F50-A303 HydrophobicContact CE1-CB 3.97Å; L63-A303 HydrophobicContact CD1-CB 3.77Å; L63-A303 HydrophobicContact CD2-CB 3.6Å; L63-A303 HydrophobicContact CG-CB 4.24Å; I299-A303 WeakPolarHBondContact O-CB 3.38Å; I299-A303 PolarHBondContact O-N 3.16Å; R300-A303 CarbonylContact O-C 3.35Å; R300-A303 WeakPolarHBondContact O-CA 3.35Å; R300-A303 WeakPolarHBondContact O-CB 3.45Å; R300-A303 PolarHBondContact O-N 2.84Å; R300-A303 VanDerWaalsContact O-N 3.12Å; N301-A303 VanDerWaalsContact C-N 3.25Å; N301-A303 PolarHBondContact O-N 3.36Å; A303-A307 WeakPolarHBondContact O-CB 3.44Å; A303-A307 PolarHBondContact O-N 3.35Å
304G61.8Low60Low44 Ų4472.6 Ų72.645%0.45439%0.388SS..Hα-helixtrans-64.6-53.7-179.600000112.5R300 N301 A306 A307 A308R300-G304 PolarHBondContact O-N 3.2Å; N301-G304 PolarHBondContact O-N 3.4Å; G304-A306 VanDerWaalsContact C-N 3.32Å; G304-A306 PolarHBondContact O-N 3.45Å; G304-A307 PolarHBondContact O-N 3.44Å; G304-A308 PolarHBondContact O-N 2.87Å; G304-A308 VanDerWaalsContact O-N 3.14Å
305Q60.1Low60.8Low147 Ų14775.5 Ų75.569%0.68741%0.411SS*.Hα-helixtrans-59.4-43.9179.1-66.11784.700111.6N301 A308 A309N301-Q305 PolarHBondContact O-N 3.46Å; Q305-A308 PolarHBondContact O-N 3.26Å; Q305-A309 PolarHBondContact O-N 2.91Å
306A62.1Low61.2Low16 Ų1673.4 Ų73.413%0.13241%0.41CS..Hα-helixtrans-79.5-24.7-176.600000113.6P49 Y302 G304 S310P49-A306 HydrophobicContact CB-CB 3.58Å; P49-A306 WeakPolarHBondContact CB-O 3.42Å; P49-A306 WeakPolarHBondContact O-CB 3.3Å; Y302-A306 WeakPolarHBondContact O-CB 3.39Å; Y302-A306 PolarHBondContact O-N 3.48Å; G304-A306 VanDerWaalsContact C-N 3.32Å; G304-A306 PolarHBondContact O-N 3.45Å; A306-S310 WeakPolarHBondContact O-CB 3.21Å; A306-S310 PolarHBondContact O-N 2.89Å; A306-S310 VanDerWaalsContact O-N 3.13Å; A306-S310 PolarHBondContact O-OG 3.03Å
307A64Low61.4Low42 Ų4272.4 Ų72.435%0.34741%0.405SS..Hα-helixtrans-65-48169.300000110.7A303 G304 S310 A311A303-A307 WeakPolarHBondContact O-CB 3.44Å; A303-A307 PolarHBondContact O-N 3.35Å; G304-A307 PolarHBondContact O-N 3.44Å; A307-S310 PolarHBondContact O-N 3.09Å; A307-S310 PolarHBondContact O-OG 3.47Å; A307-A311 WeakPolarHBondContact O-CB 3.47Å; A307-A311 PolarHBondContact O-N 3.24Å
308A64.5Low61.4Low56 Ų5671.2 Ų71.246%0.46340%0.401SS..Hα-helixtrans-57.1-55.217800000111.9G304 Q305 S310 A311 E312G304-A308 PolarHBondContact O-N 2.87Å; G304-A308 VanDerWaalsContact O-N 3.14Å; Q305-A308 PolarHBondContact O-N 3.26Å; A308-S310 PolarHBondContact O-N 2.83Å; A308-A311 WeakPolarHBondContact O-CB 3.28Å; A308-A311 PolarHBondContact O-N 3.2Å; A308-E312 PolarHBondContact O-N 3.03Å; A308-E312 VanDerWaalsContact O-N 3.08Å
309A59.4Low61Low61 Ų6176.5 Ų76.550%0.50442%0.42SS..Hα-helixtrans-58.8-33.917800000113.1Q305 H313Q305-A309 PolarHBondContact O-N 2.91Å; A309-H313 PolarHBondContact O-N 3.05Å
310S66.8Low60.4Low5 Ų586.6 Ų86.64%0.03546%0.458CS..Hα-helixtrans-73.7-32.4174.778.70000113.1A306 A307 A308 L314A306-S310 WeakPolarHBondContact O-CB 3.21Å; A306-S310 PolarHBondContact O-N 2.89Å; A306-S310 VanDerWaalsContact O-N 3.13Å; A306-S310 PolarHBondContact O-OG 3.03Å; A307-S310 PolarHBondContact O-N 3.09Å; A307-S310 PolarHBondContact O-OG 3.47Å; A308-S310 PolarHBondContact O-N 2.83Å; S310-L314 VanDerWaalsContact O-CB 3.28Å; S310-L314 WeakPolarHBondContact O-CB 3.44Å; S310-L314 VanDerWaalsContact O-CD1 3.32Å; S310-L314 WeakPolarHBondContact O-CD1 3.29Å; S310-L314 VanDerWaalsContact O-CG 3.23Å; S310-L314 WeakPolarHBondContact O-CG 3.36Å; S310-L314 PolarHBondContact O-N 3.39Å
311A68.5Low59.6Low58 Ų5885 Ų8548%0.47946%0.46SS..Hα-helixtrans-71.1-42.3-179.100000111.4A307 A308 L314 S315A307-A311 WeakPolarHBondContact O-CB 3.47Å; A307-A311 PolarHBondContact O-N 3.24Å; A308-A311 WeakPolarHBondContact O-CB 3.28Å; A308-A311 PolarHBondContact O-N 3.2Å; A311-L314 PolarHBondContact O-N 2.94Å; A311-S315 WeakPolarHBondContact O-CB 3.38Å; A311-S315 PolarHBondContact O-N 3.5Å
312E65.9Low58.9Low133 Ų13385.5 Ų85.562%0.62147%0.469SS*.Hα-helixtrans-58.8-49.7174.1-68.2177.5160.100111.4A308 L314 S315 M316A308-E312 PolarHBondContact O-N 3.03Å; A308-E312 VanDerWaalsContact O-N 3.08Å; E312-L314 VanDerWaalsContact C-N 3.34Å; E312-L314 PolarHBondContact O-N 3.12Å; E312-S315 WeakPolarHBondContact O-CB 3.23Å; E312-S315 PolarHBondContact O-N 3.18Å; E312-M316 PolarHBondContact O-N 3.39Å
313H62.6Low58.2Low103 Ų10391 Ų9148%0.47749%0.489SS..Hα-helixtrans-68.1-32-178.2-147.195.6000113I47 A309 L317I47-H313 HydrophobicContact CD1-CB 4.28Å; A309-H313 PolarHBondContact O-N 3.05Å; H313-L317 WeakPolarHBondContact O-CD1 3.46Å
314L67.8Low57.4Low8 Ų897.4 Ų97.44%0.04252%0.517CS..Hα-helixtrans-77.5-33.4174.9-75164.3000112.6S38 M41 R42 L45 S310 A311 E312 M316 L317 V318S38-L314 VanDerWaalsContact O-CD1 3.23Å; S38-L314 WeakPolarHBondContact O-CD1 3.46Å; M41-L314 HydrophobicContact CB-CD2 3.59Å; R42-L314 HydrophobicContact CG-CD1 4.1Å; L45-L314 HydrophobicContact CD1-CD2 3.81Å; S310-L314 VanDerWaalsContact O-CB 3.28Å; S310-L314 WeakPolarHBondContact O-CB 3.44Å; S310-L314 VanDerWaalsContact O-CD1 3.32Å; S310-L314 WeakPolarHBondContact O-CD1 3.29Å; S310-L314 VanDerWaalsContact O-CG 3.23Å; S310-L314 WeakPolarHBondContact O-CG 3.36Å; S310-L314 PolarHBondContact O-N 3.39Å; A311-L314 PolarHBondContact O-N 2.94Å; E312-L314 VanDerWaalsContact C-N 3.34Å; E312-L314 PolarHBondContact O-N 3.12Å; L314-M316 VanDerWaalsContact C-N 3.25Å; L314-M316 PolarHBondContact O-N 3.25Å; L314-L317 PolarHBondContact O-N 3.49Å; L314-V318 PolarHBondContact O-N 2.95Å
315S67Low56.2Low93 Ų9399.5 Ų99.565%0.6553%0.53SS*.Hα-helixtrans-58-36.5177.1-176.70000112.3A311 E312 L317A311-S315 WeakPolarHBondContact O-CB 3.38Å; A311-S315 PolarHBondContact O-N 3.5Å; E312-S315 WeakPolarHBondContact O-CB 3.23Å; E312-S315 PolarHBondContact O-N 3.18Å; S315-L317 VanDerWaalsContact C-N 3.28Å; S315-L317 PolarHBondContact O-N 3.41Å
316M57.4Low54.9Low135 Ų13598.2 Ų98.267%0.66553%0.532SS*.THydrogen-bonded Turntrans-70.7-22.1177.6-59-176-158.500113.8E312 L314E312-M316 PolarHBondContact O-N 3.39Å; L314-M316 VanDerWaalsContact C-N 3.25Å; L314-M316 PolarHBondContact O-N 3.25Å
317L56.9Low53.4Low87 Ų87108.5 Ų108.546%0.45557%0.569SS.*THydrogen-bonded Turntrans-108.1-31.3-169.3-65.5171.5000113.3L45 H313 L314 S315 K319L45-L317 HydrophobicContact CD1-CD1 3.5Å; L45-L317 HydrophobicContact CD2-CD1 3.69Å; L45-L317 HydrophobicContact CG-CD1 4.25Å; H313-L317 WeakPolarHBondContact O-CD1 3.46Å; L314-L317 PolarHBondContact O-N 3.49Å; S315-L317 VanDerWaalsContact C-N 3.28Å; S315-L317 PolarHBondContact O-N 3.41Å; L317-K319 PolarHBondContact O-N 3.3Å; L317-K319 VanDerWaalsContact O-N 3.08Å
318V56Low51.8Low52 Ų52118 Ų11832%0.31561%0.614SS.*  trans-8763.9174.4-169.70000109.5L37 L314 R320L37-V318 HydrophobicContact CD2-CG1 4.44Å; L314-V318 PolarHBondContact O-N 2.95Å; V318-R320 PolarHBondContact O-N 3.02Å
319K50.3Low51.2Low180 Ų180121.2 Ų121.278%0.78362%0.621SS**PPolyproline II helixtrans-65128.7168.4-69.8-174.7179.1-179.40108.7L317 D321L317-K319 PolarHBondContact O-N 3.3Å; L317-K319 VanDerWaalsContact O-N 3.08Å; K319-D321 PolarHBondContact O-N 2.92Å
320R47.3Very low50.7Low226 Ų226124.3 Ų124.385%0.85363%0.627SS**PPolyproline II helixtrans-53.5136170.7-99.6177.8161.5136.3-8.6109.5V318 P322V318-R320 PolarHBondContact O-N 3.02Å; R320-P322 WeakPolarHBondContact O-CD 3.44Å
321D41.5Very low49.8Very low112 Ų112130.9 Ų130.960%0.59966%0.66SS**PPolyproline II helixtrans-63.4121.1164-159.4-44000107.7K319 R323 E324K319-D321 PolarHBondContact O-N 2.92Å; D321-R323 PolarHBondContact O-N 3.36Å; D321-E324 PolarHBondContact O-N 3.06Å
322P42.1Very low48.8Very low115 Ų115135.2 Ų135.275%0.74767%0.671SS**G310 helixtrans-61.8-9.1-171.9-26.235.8000115.2R320R320-P322 WeakPolarHBondContact O-CD 3.44Å
323R42.1Very low47.7Very low224 Ų224135.4 Ų135.485%0.84567%0.674SS**G310 helixtrans-82.9-10.4-176.5-66.3179.4172.6-178.6-2.7114.8D321 A325D321-R323 PolarHBondContact O-N 3.36Å; R323-A325 VanDerWaalsContact C-N 3.33Å
324E41Very low46.7Very low149 Ų149137.5 Ų137.570%0.69669%0.687SS**G310 helixtrans-89.911.7178-71.3-97.2128.700113.5D321D321-E324 PolarHBondContact O-N 3.06Å
325A37.3Very low45.2Very low88 Ų88146.8 Ų146.873%0.72773%0.733SS**G310 helixtrans-880.5177.100000114.1R323R323-A325 VanDerWaalsContact C-N 3.33Å
326V32.5Very low43.5Very low120 Ų120150.9 Ų150.973%0.72774%0.74SS**  trans-12273.8-175.6-171.70000110.1
327Y30.6Very low42.3Very low232 Ų232152.3 Ų152.391%0.9175%0.746SS**  trans-173.479.5152-103.6-66.4000109.1
328N30.6Very low41Very low242 Ų242158.2 Ų158.2100%1.29477%0.772SS**  trans-132.20158.7-90.4-32.6000106.9

Retrieved 328 of 328 residues in 207.3 ms (Link to these results)

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