A0A3Q0KGC9_SCHMA Loading...

Protein-L-isoaspartate O-methyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KGC9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 275 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
1M51.8Low85.2Confident184 Ų18473.9 Ų73.991%0.90640%0.397SS*.  0-23.80-71.2-169.3-73.900113.2W3 K4M1-W3 PolarHBondContact O-N 2.62Å; M1-K4 PolarHBondContact O-N 2.91Å; M1-K4 VanDerWaalsContact O-N 3.13Å
2A58.6Low86.2Confident15 Ų1574.2 Ų74.212%0.12439%0.394CS..G310 helixtrans-46.3-51.4-17800000114.4K4 S5 V22 H63A2-K4 PolarHBondContact O-N 3.49Å; A2-S5 VanDerWaalsContact O-CB 3.29Å; A2-S5 WeakPolarHBondContact O-CB 3.24Å; A2-S5 PolarHBondContact O-N 2.98Å; A2-S5 PolarHBondContact O-OG 3.29Å; A2-V22 HydrophobicContact CB-CG2 3.9Å; A2-H63 HydrophobicContact CB-CB 3.71Å
3W68.9Low87.2Confident182 Ų18268.5 Ų68.569%0.68936%0.364SS*.G310 helixtrans-53.9-4.9179.965.9-78.8000117.1M1 D48M1-W3 PolarHBondContact O-N 2.62Å; W3-D48 WeakPolarHBondContact CA-OD2 3.42Å; W3-D48 PolarHBondContact N-OD2 2.99Å
4K82.7Confident88Confident145 Ų14563.7 Ų63.763%0.6334%0.338SS*.G310 helixtrans-9610171.3-61.7-171.6175.4-173.30113.6M1 A2 S6M1-K4 PolarHBondContact O-N 2.91Å; M1-K4 VanDerWaalsContact O-N 3.13Å; A2-K4 PolarHBondContact O-N 3.49Å; K4-S6 VanDerWaalsContact C-N 3.33Å
5S95Very high88.6Confident0 Ų062.9 Ų62.90%033%0.334CS..  trans-87.95.6-178.2-75.80000114.4A2 L13 N16 L17 N20A2-S5 VanDerWaalsContact O-CB 3.29Å; A2-S5 WeakPolarHBondContact O-CB 3.24Å; A2-S5 PolarHBondContact O-N 2.98Å; A2-S5 PolarHBondContact O-OG 3.29Å; S5-L13 VanDerWaalsContact O-CD1 3.24Å; S5-L13 WeakPolarHBondContact O-CD1 3.4Å; S5-N16 VanDerWaalsContact O-CB 3.26Å; S5-N16 WeakPolarHBondContact O-CB 3.4Å; S5-N16 PolarHBondContact OG-O 2.9Å; S5-L17 VanDerWaalsContact CB-CD2 3.48Å; S5-N20 PolarHBondContact OG-ND2 2.8Å
6S96.5Very high89.2Confident48 Ų4860.1 Ų60.134%0.33632%0.319SS..  trans-50.5150.8174.3-56.20000112.6K4 N16 Y46 E47 D48K4-S6 VanDerWaalsContact C-N 3.33Å; S6-N16 PolarHBondContact O-ND2 3.25Å; S6-Y46 WeakPolarHBondContact CA-O 3.22Å; S6-E47 WeakPolarHBondContact OG-CA 3.43Å; S6-D48 PolarHBondContact OG-N 3.42Å
7G95.6Very high89.7Confident15 Ų1556.5 Ų56.516%0.15530%0.3CS..  trans-138.8160.8174.500000111.9T9 Y46G7-T9 VanDerWaalsContact C-N 3.28Å; G7-Y46 PolarHBondContact N-O 2.95Å; G7-Y46 WeakPolarHBondContact O-CB 3.49Å
8S95.1Very high90.1Very high96 Ų9657.2 Ų57.267%0.67130%0.301SS*.SBendtrans-75.5-20.7171.966.20000112.6E12S8-E12 WeakPolarHBondContact CB-OE2 3.28Å; S8-E12 PolarHBondContact N-OE2 3.29Å; S8-E12 PolarHBondContact OG-OE2 2.85Å
9T97.3Very high90.4Very high69 Ų6963.5 Ų63.542%0.42332%0.32SS..SBendtrans-131.3161176.664.20000110.7G7 A11 E12 L13G7-T9 VanDerWaalsContact C-N 3.28Å; T9-A11 VanDerWaalsContact C-N 3.32Å; T9-A11 PolarHBondContact O-N 2.81Å; T9-E12 PolarHBondContact O-N 3.36Å; T9-E12 WeakPolarHBondContact OG1-CB 3.14Å; T9-E12 PolarHBondContact OG1-N 2.88Å; T9-L13 PolarHBondContact O-N 2.9Å
10H97.5Very high90.7Very high15 Ų1563.7 Ų63.77%0.06932%0.322CS..Hα-helixtrans-53.2-48.7173.117859.5000112.1E12 L13 I14 M32 L33 V35 D36 Y46H10-E12 VanDerWaalsContact C-N 3.32Å; H10-E12 PolarHBondContact O-N 2.88Å; H10-L13 WeakPolarHBondContact O-CB 3.45Å; H10-L13 PolarHBondContact O-N 2.77Å; H10-I14 WeakPolarHBondContact O-CG1 3.43Å; H10-I14 PolarHBondContact O-N 2.78Å; H10-I14 VanDerWaalsContact O-N 3.07Å; H10-M32 PolarHBondContact CE1-O 2.73Å; H10-M32 PolarHBondContact NE2-O 2.79Å; H10-L33 PolarHBondContact NE2-O 2.94Å; H10-V35 PolarHBondContact CE1-O 3.14Å; H10-V35 PolarHBondContact NE2-O 3.28Å; H10-D36 IonicContact CG-OD1 3.56Å; H10-D36 IonicContact CG-OD2 3.5Å; H10-D36 IonicContact ND1-OD1 2.86Å; H10-Y46 HydrophobicContact CB-CD1 3.99Å; H10-Y46 HydrophobicContact CB-CE1 3.59Å
11A98Very high90.9Very high44 Ų4471.3 Ų71.336%0.36435%0.347SS..Hα-helixtrans-61.7-39.3179.600000112.4T9 I14 N15 L33T9-A11 VanDerWaalsContact C-N 3.32Å; T9-A11 PolarHBondContact O-N 2.81Å; A11-I14 PolarHBondContact O-N 2.87Å; A11-N15 VanDerWaalsContact O-CB 3.31Å; A11-N15 WeakPolarHBondContact O-CB 3.42Å; A11-N15 VanDerWaalsContact O-CG 3.22Å; A11-N15 PolarHBondContact O-N 3.41Å; A11-N15 PolarHBondContact O-ND2 2.99Å; A11-L33 HydrophobicContact CB-CD2 4.38Å
12E97.8Very high93Very high77 Ų7762.9 Ų62.936%0.3631%0.305SS..Hα-helixtrans-64.9-44.5176.2-172.3179.5-169.400111.9S8 T9 H10 I14 N15 N16S8-E12 WeakPolarHBondContact CB-OE2 3.28Å; S8-E12 PolarHBondContact N-OE2 3.29Å; S8-E12 PolarHBondContact OG-OE2 2.85Å; T9-E12 PolarHBondContact O-N 3.36Å; T9-E12 WeakPolarHBondContact OG1-CB 3.14Å; T9-E12 PolarHBondContact OG1-N 2.88Å; H10-E12 VanDerWaalsContact C-N 3.32Å; H10-E12 PolarHBondContact O-N 2.88Å; E12-I14 PolarHBondContact O-N 2.73Å; E12-N15 PolarHBondContact O-N 3.19Å; E12-N16 WeakPolarHBondContact O-CB 3.39Å; E12-N16 VanDerWaalsContact O-CG 3.26Å; E12-N16 PolarHBondContact O-N 2.82Å
13L98.2Very high94.8Very high1 Ų162.2 Ų62.21%0.00530%0.3CS..Hα-helixtrans-54.1-52.4174.5165.963.2000110.8S5 T9 H10 N15 N16 L17 D48 P62S5-L13 VanDerWaalsContact O-CD1 3.24Å; S5-L13 WeakPolarHBondContact O-CD1 3.4Å; T9-L13 PolarHBondContact O-N 2.9Å; H10-L13 WeakPolarHBondContact O-CB 3.45Å; H10-L13 PolarHBondContact O-N 2.77Å; L13-N15 PolarHBondContact O-N 2.84Å; L13-N16 PolarHBondContact O-N 2.73Å; L13-L17 HydrophobicContact CD1-CD1 4.13Å; L13-L17 HydrophobicContact CD1-CG 4.26Å; L13-L17 HydrophobicContact CG-CD1 4.33Å; L13-L17 WeakPolarHBondContact O-CG 3.3Å; L13-L17 PolarHBondContact O-N 2.97Å; L13-D48 HydrophobicContact CD1-CB 4.4Å; L13-P62 HydrophobicContact CD1-CB 3.92Å; L13-P62 HydrophobicContact CD1-CG 4Å; L13-P62 HydrophobicContact CD2-CB 3.97Å; L13-P62 HydrophobicContact CD2-CG 3.71Å; L13-P62 HydrophobicContact CG-CB 4.35Å; L13-P62 HydrophobicContact CG-CG 4.45Å
14I98.3Very high96.1Very high1 Ų157.5 Ų57.51%0.00529%0.294CS..Hα-helixtrans-66.4-39.6-177.4-55.3-50.9000111.7H10 A11 E12 N16 L17 F18 I23 R29 M32 L33H10-I14 WeakPolarHBondContact O-CG1 3.43Å; H10-I14 PolarHBondContact O-N 2.78Å; H10-I14 VanDerWaalsContact O-N 3.07Å; A11-I14 PolarHBondContact O-N 2.87Å; E12-I14 PolarHBondContact O-N 2.73Å; I14-N16 VanDerWaalsContact C-N 3.33Å; I14-N16 PolarHBondContact O-N 3.01Å; I14-L17 HydrophobicContact CD1-CD1 4.09Å; I14-L17 PolarHBondContact O-N 3.47Å; I14-F18 PolarHBondContact O-N 3.44Å; I14-I23 HydrophobicContact CG2-CD1 3.96Å; I14-R29 HydrophobicContact CG2-CG 4.09Å; I14-M32 HydrophobicContact CD1-CB 3.76Å; I14-M32 HydrophobicContact CD1-CE 3.94Å; I14-M32 HydrophobicContact CG1-CB 4.3Å; I14-M32 HydrophobicContact CG2-CB 4.23Å; I14-L33 HydrophobicContact CB-CD2 3.79Å; I14-L33 HydrophobicContact CB-CG 4.13Å; I14-L33 HydrophobicContact CG1-CD2 4.13Å; I14-L33 HydrophobicContact CG1-CG 4.49Å; I14-L33 HydrophobicContact CG2-CD2 4.03Å; I14-L33 HydrophobicContact CG2-CG 3.79Å
15N97.6Very high96.8Very high52 Ų5251.4 Ų51.428%0.27827%0.27SS..Hα-helixtrans-66.8-33.9176.5-73.4-38.2000112.5A11 E12 L13 F18 R19 R29A11-N15 VanDerWaalsContact O-CB 3.31Å; A11-N15 WeakPolarHBondContact O-CB 3.42Å; A11-N15 VanDerWaalsContact O-CG 3.22Å; A11-N15 PolarHBondContact O-N 3.41Å; A11-N15 PolarHBondContact O-ND2 2.99Å; E12-N15 PolarHBondContact O-N 3.19Å; L13-N15 PolarHBondContact O-N 2.84Å; N15-F18 PolarHBondContact O-N 2.81Å; N15-R19 VanDerWaalsContact O-CB 3.31Å; N15-R19 WeakPolarHBondContact O-CB 3.41Å; N15-R19 PolarHBondContact O-N 2.98Å; N15-R29 PolarHBondContact OD1-NH2 2.63Å
16N97.8Very high96.9Very high17 Ų1758 Ų589%0.09130%0.301CS..Hα-helixtrans-70.9-38.4174.5-75-15.9000111.7S5 S6 E12 L13 I14 F18 R19 N20S5-N16 VanDerWaalsContact O-CB 3.26Å; S5-N16 WeakPolarHBondContact O-CB 3.4Å; S5-N16 PolarHBondContact OG-O 2.9Å; S6-N16 PolarHBondContact O-ND2 3.25Å; E12-N16 WeakPolarHBondContact O-CB 3.39Å; E12-N16 VanDerWaalsContact O-CG 3.26Å; E12-N16 PolarHBondContact O-N 2.82Å; L13-N16 PolarHBondContact O-N 2.73Å; I14-N16 VanDerWaalsContact C-N 3.33Å; I14-N16 PolarHBondContact O-N 3.01Å; N16-F18 VanDerWaalsContact C-N 3.33Å; N16-F18 PolarHBondContact O-N 2.8Å; N16-R19 PolarHBondContact O-N 3.22Å; N16-R19 PolarHBondContact OD1-NH1 3.12Å; N16-N20 VanDerWaalsContact O-CB 3.25Å; N16-N20 WeakPolarHBondContact O-CB 3.49Å; N16-N20 VanDerWaalsContact O-CG 3.27Å; N16-N20 PolarHBondContact O-N 2.83Å; N16-N20 PolarHBondContact O-ND2 3.26Å
17L97.9Very high97Very high0 Ų059.8 Ų59.80%031%0.306CS..Hα-helixtrans-59.2-43.2170.6-72169000111.8S5 L13 I14 R21 V22 I23 M32 P62 H63S5-L17 VanDerWaalsContact CB-CD2 3.48Å; L13-L17 HydrophobicContact CD1-CD1 4.13Å; L13-L17 HydrophobicContact CD1-CG 4.26Å; L13-L17 HydrophobicContact CG-CD1 4.33Å; L13-L17 WeakPolarHBondContact O-CG 3.3Å; L13-L17 PolarHBondContact O-N 2.97Å; I14-L17 HydrophobicContact CD1-CD1 4.09Å; I14-L17 PolarHBondContact O-N 3.47Å; L17-R21 PolarHBondContact O-N 2.76Å; L17-V22 HydrophobicContact CB-CB 4.37Å; L17-V22 HydrophobicContact CD2-CB 3.98Å; L17-V22 HydrophobicContact CD2-CG1 3.89Å; L17-V22 HydrophobicContact CD2-CG2 4.2Å; L17-V22 WeakPolarHBondContact O-CB 3.16Å; L17-V22 PolarHBondContact O-N 3.33Å; L17-I23 HydrophobicContact CB-CD1 3.68Å; L17-I23 HydrophobicContact CB-CG1 4Å; L17-I23 HydrophobicContact CD1-CD1 4.13Å; L17-I23 PolarHBondContact O-N 3.29Å; L17-M32 HydrophobicContact CD1-CE 4.1Å; L17-P62 HydrophobicContact CD1-CB 3.87Å; L17-H63 HydrophobicContact CD2-CB 3.9Å
18F96.8Very high97.2Very high69 Ų6959.1 Ų59.130%0.30330%0.299SS..Hα-helixtrans-66-48.7176.1-171.7-103000112.2I14 N15 N16 N20 R21 I23 R29I14-F18 PolarHBondContact O-N 3.44Å; N15-F18 PolarHBondContact O-N 2.81Å; N16-F18 VanDerWaalsContact C-N 3.33Å; N16-F18 PolarHBondContact O-N 2.8Å; F18-N20 VanDerWaalsContact C-N 3.28Å; F18-N20 PolarHBondContact O-N 2.75Å; F18-R21 PolarHBondContact O-N 3.43Å; F18-I23 HydrophobicContact CD2-CB 4.25Å; F18-I23 HydrophobicContact CD2-CG2 4.06Å; F18-I23 WeakPolarHBondContact CD2-O 3.24Å; F18-R29 HydrophobicContact CD2-CB 4.26Å; F18-R29 HydrophobicContact CD2-CG 4.28Å
19R95.7Very high97.3Very high177 Ų17757.8 Ų57.867%0.66828%0.279SS*.Hα-helixtrans-58.4-39.9178-171.9-173.2-561547.4112.3N15 N16 R21N15-R19 VanDerWaalsContact O-CB 3.31Å; N15-R19 WeakPolarHBondContact O-CB 3.41Å; N15-R19 PolarHBondContact O-N 2.98Å; N16-R19 PolarHBondContact O-N 3.22Å; N16-R19 PolarHBondContact OD1-NH1 3.12Å; R19-R21 PolarHBondContact O-N 2.83Å
20N96Very high97.4Very high66 Ų6658.6 Ų58.635%0.35328%0.281SS..THydrogen-bonded Turntrans-81.67.8178.5-67.4-21.2000113.3S5 N16 F18 V22S5-N20 PolarHBondContact OG-ND2 2.8Å; N16-N20 VanDerWaalsContact O-CB 3.25Å; N16-N20 WeakPolarHBondContact O-CB 3.49Å; N16-N20 VanDerWaalsContact O-CG 3.27Å; N16-N20 PolarHBondContact O-N 2.83Å; N16-N20 PolarHBondContact O-ND2 3.26Å; F18-N20 VanDerWaalsContact C-N 3.28Å; F18-N20 PolarHBondContact O-N 2.75Å; N20-V22 HydrophobicContact CB-CG2 4.42Å; N20-V22 PolarHBondContact O-N 3.5Å
21R95.3Very high97.4Very high225 Ų22558.5 Ų58.585%0.84928%0.281SS*.THydrogen-bonded Turntrans59.827177.5-51.6-179.9-177.8178.2-0.8114.1L17 F18 R19L17-R21 PolarHBondContact O-N 2.76Å; F18-R21 PolarHBondContact O-N 3.43Å; R19-R21 PolarHBondContact O-N 2.83Å
22V95.9Very high97.4Very high6 Ų656.4 Ų56.44%0.03626%0.264CS..SBendtrans-77.4-44.9168.6-179.50000109.3A2 L17 N20 H63 A66 Y67A2-V22 HydrophobicContact CB-CG2 3.9Å; L17-V22 HydrophobicContact CB-CB 4.37Å; L17-V22 HydrophobicContact CD2-CB 3.98Å; L17-V22 HydrophobicContact CD2-CG1 3.89Å; L17-V22 HydrophobicContact CD2-CG2 4.2Å; L17-V22 WeakPolarHBondContact O-CB 3.16Å; L17-V22 PolarHBondContact O-N 3.33Å; N20-V22 HydrophobicContact CB-CG2 4.42Å; N20-V22 PolarHBondContact O-N 3.5Å; V22-H63 HydrophobicContact CG1-CB 3.66Å; V22-A66 HydrophobicContact CG1-CB 3.83Å; V22-Y67 HydrophobicContact CG1-CE1 4.15Å; V22-Y67 HydrophobicContact CG1-CE2 4.21Å
23I97Very high97.4Very high1 Ų155.3 Ų55.31%0.00526%0.26CS..  trans-95.2130.4165.8-58.4166.7000107.1I14 L17 F18 S25 V28 R29 M32 A66I14-I23 HydrophobicContact CG2-CD1 3.96Å; L17-I23 HydrophobicContact CB-CD1 3.68Å; L17-I23 HydrophobicContact CB-CG1 4Å; L17-I23 HydrophobicContact CD1-CD1 4.13Å; L17-I23 PolarHBondContact O-N 3.29Å; F18-I23 HydrophobicContact CD2-CB 4.25Å; F18-I23 HydrophobicContact CD2-CG2 4.06Å; F18-I23 WeakPolarHBondContact CD2-O 3.24Å; I23-S25 WeakPolarHBondContact CG2-O 3.48Å; I23-V28 HydrophobicContact CG1-CG1 4.29Å; I23-V28 HydrophobicContact CG2-CB 4.01Å; I23-V28 HydrophobicContact CG2-CG1 3.9Å; I23-R29 HydrophobicContact CG2-CB 3.87Å; I23-M32 HydrophobicContact CD1-SD 3.61Å; I23-M32 HydrophobicContact CG1-SD 4.17Å; I23-A66 HydrophobicContact CD1-CB 4.29Å; I23-A66 HydrophobicContact CG1-CB 3.58Å
24S96Very high97.4Very high83 Ų8356.4 Ų56.458%0.5827%0.268SS*.  trans-113.2-26.9-179.273.10000112.9E70S24-E70 PolarHBondContact N-OE1 2.8Å; S24-E70 VanDerWaalsContact OG-CD 3.3Å; S24-E70 PolarHBondContact OG-OE1 3.34Å; S24-E70 PolarHBondContact OG-OE2 2.81Å
25S97.8Very high97.5Very high18 Ų1856.4 Ų56.413%0.12627%0.268CS..  trans-106.2143.2-17462.80000112.3I23 I27 V28 R29 E70I23-S25 WeakPolarHBondContact CG2-O 3.48Å; S25-I27 VanDerWaalsContact C-N 3.28Å; S25-I27 PolarHBondContact O-N 3.3Å; S25-V28 PolarHBondContact O-N 3.08Å; S25-V28 WeakPolarHBondContact OG-CB 3.22Å; S25-V28 WeakPolarHBondContact OG-CG2 3.44Å; S25-R29 PolarHBondContact O-N 3.44Å; S25-R29 VanDerWaalsContact O-N 3.08Å; S25-E70 PolarHBondContact N-OE1 2.87Å; S25-E70 VanDerWaalsContact OG-CD 3.3Å; S25-E70 PolarHBondContact OG-OE1 2.97Å; S25-E70 PolarHBondContact OG-OE2 2.82Å
26E97.7Very high97.5Very high138 Ų13855.7 Ų55.765%0.64526%0.264SS*.Hα-helixtrans-64.1-35.6177.2-66.9-171.9164.400112V28 R29 N30E26-V28 PolarHBondContact O-N 3.34Å; E26-R29 PolarHBondContact O-N 3.32Å; E26-N30 VanDerWaalsContact O-CB 3.28Å; E26-N30 WeakPolarHBondContact O-CB 3.46Å; E26-N30 PolarHBondContact O-N 3.31Å; E26-N30 PolarHBondContact O-ND2 2.76Å
27I98Very high97.5Very high86 Ų8655 Ų5544%0.44126%0.26SS..Hα-helixtrans-60.8-48.2178.5-165.4172.6000111.3S25 R29 N30 T31 K73 M99S25-I27 VanDerWaalsContact C-N 3.28Å; S25-I27 PolarHBondContact O-N 3.3Å; I27-R29 PolarHBondContact O-N 2.78Å; I27-N30 PolarHBondContact O-N 3.12Å; I27-T31 WeakPolarHBondContact O-CB 3.48Å; I27-T31 PolarHBondContact O-N 2.69Å; I27-T31 PolarHBondContact O-OG1 3.47Å; I27-K73 HydrophobicContact CG2-CB 4.41Å; I27-M99 HydrophobicContact CD1-CE 4.03Å; I27-M99 HydrophobicContact CG1-CE 4.08Å; I27-M99 HydrophobicContact CG2-CE 4.34Å
28V98.6Very high97.5Very high0 Ų056.2 Ų56.20%027%0.273CS..Hα-helixtrans-65.5-42.3178174.10000110.9I23 S25 E26 N30 T31 M32 L69 E70 K73I23-V28 HydrophobicContact CG1-CG1 4.29Å; I23-V28 HydrophobicContact CG2-CB 4.01Å; I23-V28 HydrophobicContact CG2-CG1 3.9Å; S25-V28 PolarHBondContact O-N 3.08Å; S25-V28 WeakPolarHBondContact OG-CB 3.22Å; S25-V28 WeakPolarHBondContact OG-CG2 3.44Å; E26-V28 PolarHBondContact O-N 3.34Å; V28-N30 PolarHBondContact O-N 2.83Å; V28-T31 PolarHBondContact O-N 3.39Å; V28-M32 HydrophobicContact CG1-CG 4.38Å; V28-M32 HydrophobicContact CG1-SD 4.04Å; V28-M32 WeakPolarHBondContact O-CB 3.42Å; V28-M32 WeakPolarHBondContact O-CG 3.4Å; V28-M32 PolarHBondContact O-N 3.33Å; V28-L69 HydrophobicContact CB-CB 4.47Å; V28-L69 HydrophobicContact CG1-CB 3.72Å; V28-L69 HydrophobicContact CG1-CD1 4.18Å; V28-L69 HydrophobicContact CG2-CB 3.95Å; V28-E70 HydrophobicContact CG1-CG 4.3Å; V28-E70 HydrophobicContact CG2-CG 4.25Å; V28-K73 HydrophobicContact CG2-CB 4.21Å; V28-K73 HydrophobicContact CG2-CD 4.45Å
29R98.4Very high97.5Very high69 Ų6955.8 Ų55.826%0.2627%0.27SS..Hα-helixtrans-58.1-49.2176.4-177-173.3172.6-161.4-2.4111.4I14 N15 F18 I23 S25 E26 I27 M32 L33I14-R29 HydrophobicContact CG2-CG 4.09Å; N15-R29 PolarHBondContact OD1-NH2 2.63Å; F18-R29 HydrophobicContact CD2-CB 4.26Å; F18-R29 HydrophobicContact CD2-CG 4.28Å; I23-R29 HydrophobicContact CG2-CB 3.87Å; S25-R29 PolarHBondContact O-N 3.44Å; S25-R29 VanDerWaalsContact O-N 3.08Å; E26-R29 PolarHBondContact O-N 3.32Å; I27-R29 PolarHBondContact O-N 2.78Å; R29-M32 PolarHBondContact O-N 3.39Å; R29-L33 HydrophobicContact CG-CD1 4.16Å; R29-L33 WeakPolarHBondContact O-CB 3.45Å; R29-L33 WeakPolarHBondContact O-CG 3.01Å; R29-L33 PolarHBondContact O-N 2.8Å
30N98.2Very high97.6Very high86 Ų8647.4 Ų47.446%0.4624%0.238SC..Hα-helixtrans-66.3-43.9-177.8-68.2-16.2000110.9E26 I27 V28 M32 L33 S34E26-N30 VanDerWaalsContact O-CB 3.28Å; E26-N30 WeakPolarHBondContact O-CB 3.46Å; E26-N30 PolarHBondContact O-N 3.31Å; E26-N30 PolarHBondContact O-ND2 2.76Å; I27-N30 PolarHBondContact O-N 3.12Å; V28-N30 PolarHBondContact O-N 2.83Å; N30-M32 PolarHBondContact O-N 2.75Å; N30-L33 PolarHBondContact O-N 3.25Å; N30-S34 PolarHBondContact O-N 2.85Å; N30-S34 PolarHBondContact O-OG 3.19Å; N30-S34 VanDerWaalsContact O-OG 3.13Å
31T98.6Very high97.7Very high13 Ų1344.8 Ų44.88%0.0823%0.225CC..Hα-helixtrans-56.1-50.5173.7-64.30000111.5I27 V28 L33 S34 V35 C95 L98 M99I27-T31 WeakPolarHBondContact O-CB 3.48Å; I27-T31 PolarHBondContact O-N 2.69Å; I27-T31 PolarHBondContact O-OG1 3.47Å; V28-T31 PolarHBondContact O-N 3.39Å; T31-L33 VanDerWaalsContact C-N 3.32Å; T31-L33 PolarHBondContact O-N 2.83Å; T31-S34 WeakPolarHBondContact O-CB 3.44Å; T31-S34 PolarHBondContact O-N 2.93Å; T31-S34 VanDerWaalsContact O-N 3.08Å; T31-V35 PolarHBondContact O-N 2.9Å; T31-C95 HydrophobicContact CG2-CB 3.73Å; T31-C95 VanDerWaalsContact CG2-O 3.28Å; T31-C95 WeakPolarHBondContact CG2-O 3.35Å; T31-L98 HydrophobicContact CG2-CB 4.45Å; T31-M99 HydrophobicContact CG2-CG 3.76Å; T31-M99 HydrophobicContact CG2-SD 4.06Å; T31-M99 VanDerWaalsContact OG1-CG 3.25Å; T31-M99 WeakPolarHBondContact OG1-CG 3.45Å
32M98.6Very high97.5Very high0 Ų040.2 Ų40.20%021%0.212CC..Hα-helixtrans-68.1-30-179.6-68.2-175.675.500112.7H10 I14 L17 I23 V28 R29 N30 S34 V35 H65 A66 L69H10-M32 PolarHBondContact CE1-O 2.73Å; H10-M32 PolarHBondContact NE2-O 2.79Å; I14-M32 HydrophobicContact CD1-CB 3.76Å; I14-M32 HydrophobicContact CD1-CE 3.94Å; I14-M32 HydrophobicContact CG1-CB 4.3Å; I14-M32 HydrophobicContact CG2-CB 4.23Å; L17-M32 HydrophobicContact CD1-CE 4.1Å; I23-M32 HydrophobicContact CD1-SD 3.61Å; I23-M32 HydrophobicContact CG1-SD 4.17Å; V28-M32 HydrophobicContact CG1-CG 4.38Å; V28-M32 HydrophobicContact CG1-SD 4.04Å; V28-M32 WeakPolarHBondContact O-CB 3.42Å; V28-M32 WeakPolarHBondContact O-CG 3.4Å; V28-M32 PolarHBondContact O-N 3.33Å; R29-M32 PolarHBondContact O-N 3.39Å; N30-M32 PolarHBondContact O-N 2.75Å; M32-S34 VanDerWaalsContact C-N 3.33Å; M32-V35 VanDerWaalsContact O-O 3.13Å; M32-H65 HydrophobicContact CE-CB 4.35Å; M32-A66 HydrophobicContact CE-CB 4.21Å; M32-A66 HydrophobicContact SD-CB 3.8Å; M32-L69 HydrophobicContact CG-CD1 3.64Å; M32-L69 HydrophobicContact SD-CD1 4.04Å
33L98.1Very high97.4Very high54 Ų5442.6 Ų42.628%0.28323%0.229SC..Hα-helixtrans-65.8-35170.1-78.9169.6000112H10 A11 I14 R29 N30 T31H10-L33 PolarHBondContact NE2-O 2.94Å; A11-L33 HydrophobicContact CB-CD2 4.38Å; I14-L33 HydrophobicContact CB-CD2 3.79Å; I14-L33 HydrophobicContact CB-CG 4.13Å; I14-L33 HydrophobicContact CG1-CD2 4.13Å; I14-L33 HydrophobicContact CG1-CG 4.49Å; I14-L33 HydrophobicContact CG2-CD2 4.03Å; I14-L33 HydrophobicContact CG2-CG 3.79Å; R29-L33 HydrophobicContact CG-CD1 4.16Å; R29-L33 WeakPolarHBondContact O-CB 3.45Å; R29-L33 WeakPolarHBondContact O-CG 3.01Å; R29-L33 PolarHBondContact O-N 2.8Å; N30-L33 PolarHBondContact O-N 3.25Å; T31-L33 VanDerWaalsContact C-N 3.32Å; T31-L33 PolarHBondContact O-N 2.83Å
34S98.2Very high97.1Very high24 Ų2445.5 Ų45.517%0.16824%0.244CC..Hα-helixtrans-76.3-21.9-179.1-64.80000114.8N30 T31 M32 W126 S130 N132N30-S34 PolarHBondContact O-N 2.85Å; N30-S34 PolarHBondContact O-OG 3.19Å; N30-S34 VanDerWaalsContact O-OG 3.13Å; T31-S34 WeakPolarHBondContact O-CB 3.44Å; T31-S34 PolarHBondContact O-N 2.93Å; T31-S34 VanDerWaalsContact O-N 3.08Å; M32-S34 VanDerWaalsContact C-N 3.33Å; S34-W126 PolarHBondContact O-NE1 2.68Å; S34-S130 PolarHBondContact O-OG 2.93Å; S34-N132 PolarHBondContact OG-ND2 3.1Å; S34-N132 VanDerWaalsContact OG-ND2 3.08Å
35V98.5Very high97.1Very high0 Ų042.5 Ų42.50%022%0.223CC..SBendtrans-106.692175.3-169.40000109H10 T31 M32 R37 F40 Y91 A94 C95 L98 W126H10-V35 PolarHBondContact CE1-O 3.14Å; H10-V35 PolarHBondContact NE2-O 3.28Å; T31-V35 PolarHBondContact O-N 2.9Å; M32-V35 VanDerWaalsContact O-O 3.13Å; V35-R37 PolarHBondContact O-N 2.97Å; V35-R37 VanDerWaalsContact O-N 3.14Å; V35-F40 HydrophobicContact CG1-CD2 4.15Å; V35-F40 HydrophobicContact CG1-CE2 3.39Å; V35-F40 HydrophobicContact CG1-CZ 3.75Å; V35-Y91 HydrophobicContact CB-CE2 4.14Å; V35-Y91 HydrophobicContact CG1-CD2 3.79Å; V35-Y91 HydrophobicContact CG1-CE2 3.71Å; V35-Y91 WeakPolarHBondContact O-CE2 3.44Å; V35-A94 HydrophobicContact CG1-CB 4.15Å; V35-C95 HydrophobicContact CG2-CB 4.49Å; V35-L98 HydrophobicContact CG2-CD1 3.46Å; V35-L98 VanDerWaalsContact CG2-CD1 3.46Å; V35-L98 HydrophobicContact CG2-CG 4.35Å; V35-W126 HydrophobicContact CG2-CH2 4.34Å; V35-W126 HydrophobicContact CG2-CZ2 3.77Å
36D98.2Very high97.1Very high38 Ų3844.7 Ų44.720%0.20323%0.229CC..  trans-66.2115177.2-170.6-27.3000110H10 G38 Y39 F40 Y46H10-D36 IonicContact CG-OD1 3.56Å; H10-D36 IonicContact CG-OD2 3.5Å; H10-D36 IonicContact ND1-OD1 2.86Å; D36-G38 PolarHBondContact O-N 2.94Å; D36-G38 VanDerWaalsContact O-N 3.14Å; D36-G38 WeakPolarHBondContact OD1-CA 3.28Å; D36-G38 PolarHBondContact OD1-N 3.29Å; D36-Y39 HydrophobicContact CB-CD2 3.71Å; D36-Y39 HydrophobicContact CB-CE2 3.63Å; D36-Y39 WeakPolarHBondContact O-CD2 3.2Å; D36-Y39 PolarHBondContact O-N 3.04Å; D36-Y39 VanDerWaalsContact O-N 3.15Å; D36-F40 WeakPolarHBondContact O-CD2 3.4Å; D36-Y46 WeakPolarHBondContact OD1-CE1 3.11Å; D36-Y46 PolarHBondContact OD1-OH 3.13Å
37R97.7Very high97Very high2 Ų241.5 Ų41.51%0.00821%0.214CC..G310 helixtrans-61.3-21.6-178.8-175.3172.7170.398-1.6112.6V35 Y39 F40 A41 S45 I59 S60 H65 Y91V35-R37 PolarHBondContact O-N 2.97Å; V35-R37 VanDerWaalsContact O-N 3.14Å; R37-Y39 PolarHBondContact O-N 3.46Å; R37-F40 PolarHBondContact O-N 3.33Å; R37-A41 PolarHBondContact O-N 3.14Å; R37-A41 VanDerWaalsContact O-N 3.14Å; R37-S45 WeakPolarHBondContact CD-O 3.5Å; R37-S45 WeakPolarHBondContact CG-O 3.4Å; R37-S45 PolarHBondContact NE-O 3.45Å; R37-I59 HydrophobicContact CG-CD1 4.23Å; R37-S60 PolarHBondContact NH1-O 3.46Å; R37-S60 PolarHBondContact NH2-O 2.87Å; R37-H65 PolarHBondContact NH1-CE1 3.22Å; R37-H65 PolarHBondContact NH1-ND1 2.99Å; R37-Y91 HydrophobicContact CB-CD2 4.31Å; R37-Y91 HydrophobicContact CB-CE2 3.82Å; R37-Y91 HydrophobicContact CG-CD2 4.38Å; R37-Y91 HydrophobicContact CG-CE2 4.23Å
38G97.7Very high97Very high25 Ų2537.6 Ų37.626%0.25819%0.194SC..G310 helixtrans-56-30173.800000113.9D36 F40D36-G38 PolarHBondContact O-N 2.94Å; D36-G38 VanDerWaalsContact O-N 3.14Å; D36-G38 WeakPolarHBondContact OD1-CA 3.28Å; D36-G38 PolarHBondContact OD1-N 3.29Å; G38-F40 VanDerWaalsContact C-N 3.3Å; G38-F40 PolarHBondContact O-N 2.95Å
39Y97.8Very high96.8Very high61 Ų6142.5 Ų42.524%0.23921%0.213CC..G310 helixtrans-78.2-12.9176.5-59.8-63.2000114D36 R37 N122 W126 H129D36-Y39 HydrophobicContact CB-CD2 3.71Å; D36-Y39 HydrophobicContact CB-CE2 3.63Å; D36-Y39 WeakPolarHBondContact O-CD2 3.2Å; D36-Y39 PolarHBondContact O-N 3.04Å; D36-Y39 VanDerWaalsContact O-N 3.15Å; R37-Y39 PolarHBondContact O-N 3.46Å; Y39-N122 VanDerWaalsContact O-CB 3.27Å; Y39-N122 WeakPolarHBondContact O-CB 3.34Å; Y39-N122 VanDerWaalsContact O-CG 3.28Å; Y39-N122 PolarHBondContact O-OD1 3.23Å; Y39-W126 HydrophobicContact CD2-CB 4.08Å; Y39-W126 AromaticContact CD2-CD1 3.78Å; Y39-W126 HydrophobicContact CD2-CG 4.34Å; Y39-W126 HydrophobicContact CG-CB 4.19Å; Y39-H129 HydrophobicContact CE1-CB 3.8Å; Y39-H129 HydrophobicContact CE2-CB 4.45Å; Y39-H129 WeakPolarHBondContact OH-CB 3.47Å
40F98.4Very high96.6Very high0 Ų042.5 Ų42.50%022%0.222CC..THydrogen-bonded Turntrans-117-10.2-170.9-61.9-97000113.5V35 D36 R37 G38 I59 S89 Y91 A94 N122 V123 W126V35-F40 HydrophobicContact CG1-CD2 4.15Å; V35-F40 HydrophobicContact CG1-CE2 3.39Å; V35-F40 HydrophobicContact CG1-CZ 3.75Å; D36-F40 WeakPolarHBondContact O-CD2 3.4Å; R37-F40 PolarHBondContact O-N 3.33Å; G38-F40 VanDerWaalsContact C-N 3.3Å; G38-F40 PolarHBondContact O-N 2.95Å; F40-I59 HydrophobicContact CB-CD1 4.11Å; F40-S89 WeakPolarHBondContact CD1-O 3.47Å; F40-S89 WeakPolarHBondContact O-CB 3.47Å; F40-Y91 HydrophobicContact CB-CD2 4.19Å; F40-Y91 VanDerWaalsContact CD1-CA 3.45Å; F40-Y91 AromaticContact CD2-CD2 3.8Å; F40-Y91 HydrophobicContact CD2-CD2 3.8Å; F40-Y91 HydrophobicContact CE2-CD2 4.33Å; F40-Y91 AromaticContact CG-CD2 3.95Å; F40-Y91 HydrophobicContact CG-CD2 3.95Å; F40-Y91 HydrophobicContact CG-CG 4.42Å; F40-A94 HydrophobicContact CE1-CB 4.07Å; F40-A94 HydrophobicContact CZ-CB 3.85Å; F40-N122 HydrophobicContact CD1-CB 3.79Å; F40-N122 HydrophobicContact CE1-CB 4.21Å; F40-N122 HydrophobicContact CG-CB 4.29Å; F40-V123 HydrophobicContact CE1-CG2 3.7Å; F40-V123 HydrophobicContact CZ-CG2 4.28Å; F40-W126 HydrophobicContact CE2-CB 3.89Å; F40-W126 HydrophobicContact CE2-CD2 4.41Å; F40-W126 AromaticContact CE2-CG 3.93Å; F40-W126 HydrophobicContact CE2-CG 3.93Å; F40-W126 HydrophobicContact CZ-CB 3.88Å; F40-W126 HydrophobicContact CZ-CD2 4.13Å; F40-W126 HydrophobicContact CZ-CE3 4.26Å; F40-W126 AromaticContact CZ-CG 3.98Å; F40-W126 HydrophobicContact CZ-CG 3.98Å
41A96.5Very high96.5Very high11 Ų1138.7 Ų38.79%0.09120%0.202CC..  trans-118.9135.2-178.300000110.3R37 S45 I59R37-A41 PolarHBondContact O-N 3.14Å; R37-A41 VanDerWaalsContact O-N 3.14Å; A41-S45 PolarHBondContact O-OG 3.39Å; A41-I59 HydrophobicContact CB-CD1 4.38Å; A41-I59 HydrophobicContact CB-CG2 4.16Å
42K92.4Very high96.3Very high129 Ų12941.7 Ų41.756%0.56122%0.223SC*.SBendtrans-73.2-30.1-179.7-67.4178175.6173.10113.1I53 F118K42-I53 PolarHBondContact NZ-O 2.92Å; K42-F118 HydrophobicContact CD-CZ 4.45Å; K42-F118 HydrophobicContact CG-CE2 4.21Å; K42-F118 HydrophobicContact CG-CZ 3.97Å
43S92.9Very high96.2Very high56 Ų5641.7 Ų41.739%0.39222%0.223SC..SBendtrans-159160.9-178.663.80000110.6S45 S51S43-S45 PolarHBondContact O-N 2.99Å; S43-S51 PolarHBondContact O-OG 3.38Å
44N91.9Very high96.1Very high63 Ų6340.2 Ų40.234%0.33722%0.221SC..  trans54.935.1177.2-46.8-51.6000112.4Y46 E47 R49N44-Y46 PolarHBondContact O-N 2.95Å; N44-Y46 VanDerWaalsContact O-N 3.07Å; N44-E47 HydrophobicContact CB-CB 4.34Å; N44-E47 HydrophobicContact CB-CG 4.24Å; N44-E47 PolarHBondContact O-N 3.38Å; N44-E47 VanDerWaalsContact O-N 3.11Å; N44-E47 PolarHBondContact OD1-OE1 2.89Å; N44-R49 PolarHBondContact ND2-NH2 3.25Å; N44-R49 PolarHBondContact OD1-NH2 3.47Å
45S95.3Very high95.9Very high20 Ų2043.2 Ų43.214%0.1423%0.229CC..THydrogen-bonded Turntrans-61.5-24.6-165.8-48.50000113.6R37 A41 S43R37-S45 WeakPolarHBondContact CD-O 3.5Å; R37-S45 WeakPolarHBondContact CG-O 3.4Å; R37-S45 PolarHBondContact NE-O 3.45Å; A41-S45 PolarHBondContact O-OG 3.39Å; S43-S45 PolarHBondContact O-N 2.99Å
46Y97.4Very high95.7Very high64 Ų6446.8 Ų46.825%0.25126%0.259SS..THydrogen-bonded Turntrans-110.410.4-177.5-47.5-40.3000113.8S6 G7 H10 D36 N44S6-Y46 WeakPolarHBondContact CA-O 3.22Å; G7-Y46 PolarHBondContact N-O 2.95Å; G7-Y46 WeakPolarHBondContact O-CB 3.49Å; H10-Y46 HydrophobicContact CB-CD1 3.99Å; H10-Y46 HydrophobicContact CB-CE1 3.59Å; D36-Y46 WeakPolarHBondContact OD1-CE1 3.11Å; D36-Y46 PolarHBondContact OD1-OH 3.13Å; N44-Y46 PolarHBondContact O-N 2.95Å; N44-Y46 VanDerWaalsContact O-N 3.07Å
47E96.4Very high95.5Very high70 Ų7045.5 Ų45.533%0.32725%0.253SS..SBendtrans-88.9137.4172.5-65.4-179.5-139.400110.5S6 N44 R49S6-E47 WeakPolarHBondContact OG-CA 3.43Å; N44-E47 HydrophobicContact CB-CB 4.34Å; N44-E47 HydrophobicContact CB-CG 4.24Å; N44-E47 PolarHBondContact O-N 3.38Å; N44-E47 VanDerWaalsContact O-N 3.11Å; N44-E47 PolarHBondContact OD1-OE1 2.89Å; E47-R49 HydrophobicContact CB-CG 4.04Å; E47-R49 PolarHBondContact O-N 3.24Å; E47-R49 IonicContact OE1-NH2 3.31Å; E47-R49 PolarHBondContact OE1-NH2 3.48Å; E47-R49 IonicContact OE2-CZ 3.34Å; E47-R49 IonicContact OE2-NE 3.79Å; E47-R49 PolarHBondContact OE2-NE 2.92Å; E47-R49 IonicContact OE2-NH2 3.97Å; E47-R49 PolarHBondContact OE2-NH2 2.85Å
48D96.5Very high95.5Very high4 Ų448 Ų482%0.02127%0.268CS..SBendtrans-78.462.8179.4-171.633.7000113.1W3 S6 L13 P62 H63W3-D48 WeakPolarHBondContact CA-OD2 3.42Å; W3-D48 PolarHBondContact N-OD2 2.99Å; S6-D48 PolarHBondContact OG-N 3.42Å; L13-D48 HydrophobicContact CD1-CB 4.4Å; D48-P62 WeakPolarHBondContact OD1-CB 3.39Å; D48-P62 VanDerWaalsContact OD1-CD 3.27Å; D48-P62 WeakPolarHBondContact OD1-CD 3.34Å; D48-H63 IonicContact OD1-CE1 3.25Å; D48-H63 IonicContact OD1-CG 3.69Å; D48-H63 PolarHBondContact OD1-N 3.02Å; D48-H63 IonicContact OD1-ND1 3.12Å; D48-H63 PolarHBondContact OD1-ND1 3.47Å; D48-H63 IonicContact OD2-CE1 2.75Å; D48-H63 IonicContact OD2-CG 2.73Å; D48-H63 IonicContact OD2-ND1 2.63Å; D48-H63 PolarHBondContact OD2-ND1 3.34Å
49R94.9Very high95.4Very high104 Ų10447 Ų4739%0.39226%0.257SS..SBendtrans-149.5162.9176.562.4174.9171.1111.2-6.8111.6N44 E47N44-R49 PolarHBondContact ND2-NH2 3.25Å; N44-R49 PolarHBondContact OD1-NH2 3.47Å; E47-R49 HydrophobicContact CB-CG 4.04Å; E47-R49 PolarHBondContact O-N 3.24Å; E47-R49 IonicContact OE1-NH2 3.31Å; E47-R49 PolarHBondContact OE1-NH2 3.48Å; E47-R49 IonicContact OE2-CZ 3.34Å; E47-R49 IonicContact OE2-NE 3.79Å; E47-R49 PolarHBondContact OE2-NE 2.92Å; E47-R49 IonicContact OE2-NH2 3.97Å; E47-R49 PolarHBondContact OE2-NH2 2.85Å
50P94.6Very high95.3Very high69 Ų6945 Ų4545%0.44825%0.252SS..  trans-63.3147.8169.9-19.434.3000111.2T58 I59 A61P50-T58 HydrophobicContact CB-CG2 4.4Å; P50-I59 VanDerWaalsContact CA-O 3.27Å; P50-I59 WeakPolarHBondContact CA-O 3.31Å; P50-A61 HydrophobicContact CG-CB 4.29Å
51S95.1Very high95.2Very high6 Ų645.1 Ų45.14%0.04225%0.254CS..EExtended strand (participates in β ladder)trans-130140.2174-167.90000109.9S43 T58 I59S43-S51 PolarHBondContact O-OG 3.38Å; S51-T58 CarbonylContact O-C 3.48Å; S51-T58 WeakPolarHBondContact O-CA 3.32Å; S51-T58 WeakPolarHBondContact O-CB 3.36Å; S51-I59 PolarHBondContact N-O 2.93Å; S51-I59 VanDerWaalsContact N-O 3.11Å; S51-I59 WeakPolarHBondContact O-CG2 3.37Å; S51-I59 PolarHBondContact O-N 3.35Å
52S96Very high95.2Very high75 Ų7544.7 Ų44.752%0.52425%0.25SC..EExtended strand (participates in β ladder)trans-67.6136.6-177.5-179.60000111.1G54S52-G54 PolarHBondContact OG-N 3.4Å
53I96.1Very high95.4Very high1 Ų140.1 Ų40.11%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-111.41.7172.758175.8000112.3K42 A57 I59 L115 F118K42-I53 PolarHBondContact NZ-O 2.92Å; I53-A57 HydrophobicContact CD1-CB 4.12Å; I53-A57 HydrophobicContact CG1-CB 3.9Å; I53-A57 WeakPolarHBondContact CG1-O 3.24Å; I53-A57 PolarHBondContact N-O 2.93Å; I53-I59 HydrophobicContact CG2-CB 4Å; I53-I59 HydrophobicContact CG2-CG2 4.02Å; I53-L115 HydrophobicContact CB-CD2 4.39Å; I53-L115 HydrophobicContact CD1-CD1 4.41Å; I53-L115 HydrophobicContact CD1-CD2 3.97Å; I53-L115 HydrophobicContact CG1-CD2 3.94Å; I53-F118 HydrophobicContact CB-CD1 4.4Å; I53-F118 HydrophobicContact CB-CE1 3.88Å; I53-F118 HydrophobicContact CG2-CE1 3.82Å; I53-F118 HydrophobicContact CG2-CZ 4.44Å
54G94.8Very high95.6Very high22 Ų2238.3 Ų38.323%0.22722%0.216CC..EExtended strand (participates in β ladder)trans97.6173.8-174.300000112.2S52 A56 A57S52-G54 PolarHBondContact OG-N 3.4Å; G54-A56 VanDerWaalsContact C-N 3.29Å; G54-A56 PolarHBondContact O-N 2.94Å; G54-A57 WeakPolarHBondContact O-CB 3.25Å; G54-A57 PolarHBondContact O-N 3.45Å
55Y94.8Very high95.9Very high88 Ų8835.9 Ų35.935%0.34520%0.202SC..THydrogen-bonded Turntrans53.839.7175.7-54-82.8000114.5A57 I112 E114 L115 Q230 V231Y55-A57 PolarHBondContact O-N 3.5Å; Y55-I112 HydrophobicContact CD1-CG2 3.96Å; Y55-I112 HydrophobicContact CD2-CG2 4.23Å; Y55-I112 HydrophobicContact CE1-CG2 4.46Å; Y55-I112 HydrophobicContact CG-CG2 3.84Å; Y55-E114 HydrophobicContact CD2-CB 4.32Å; Y55-E114 HydrophobicContact CE1-CB 4.09Å; Y55-E114 HydrophobicContact CE1-CG 4.24Å; Y55-E114 HydrophobicContact CE2-CB 3.45Å; Y55-E114 VanDerWaalsContact CE2-CB 3.45Å; Y55-E114 HydrophobicContact CE2-CG 4.35Å; Y55-E114 VanDerWaalsContact OH-CB 3.24Å; Y55-E114 WeakPolarHBondContact OH-CB 3.5Å; Y55-E114 VanDerWaalsContact OH-CG 3.27Å; Y55-E114 WeakPolarHBondContact OH-CG 3.39Å; Y55-L115 HydrophobicContact CD2-CD2 3.74Å; Y55-L115 HydrophobicContact CD2-CG 3.88Å; Y55-L115 HydrophobicContact CE2-CD2 4.48Å; Y55-L115 HydrophobicContact CG-CG 4.44Å; Y55-Q230 WeakPolarHBondContact O-CG 3.32Å; Y55-Q230 PolarHBondContact O-NE2 3.34Å; Y55-V231 HydrophobicContact CD1-CG1 3.98Å; Y55-V231 HydrophobicContact CG-CG1 4.46Å
56A93.5Very high96.1Very high75 Ų7535 Ų3562%0.6220%0.196SC*.THydrogen-bonded Turntrans55.719.2-174.100000115G54 Q230G54-A56 VanDerWaalsContact C-N 3.29Å; G54-A56 PolarHBondContact O-N 2.94Å; A56-Q230 HydrophobicContact CB-CG 4.09Å
57A95.1Very high96Very high11 Ų1135.1 Ų35.19%0.09120%0.197CC..EExtended strand (participates in β ladder)trans-109.5157.9178.700000112.3I53 G54 Y55 L115I53-A57 HydrophobicContact CD1-CB 4.12Å; I53-A57 HydrophobicContact CG1-CB 3.9Å; I53-A57 WeakPolarHBondContact CG1-O 3.24Å; I53-A57 PolarHBondContact N-O 2.93Å; G54-A57 WeakPolarHBondContact O-CB 3.25Å; G54-A57 PolarHBondContact O-N 3.45Å; Y55-A57 PolarHBondContact O-N 3.5Å; A57-L115 HydrophobicContact CB-CD1 3.53Å
58T96.4Very high96.1Very high53 Ų5332 Ų3233%0.32518%0.182SC..EExtended strand (participates in β ladder)trans-131.8146.3177.661.70000111.1P50 S51 S60P50-T58 HydrophobicContact CB-CG2 4.4Å; S51-T58 CarbonylContact O-C 3.48Å; S51-T58 WeakPolarHBondContact O-CA 3.32Å; S51-T58 WeakPolarHBondContact O-CB 3.36Å; T58-S60 PolarHBondContact O-N 2.89Å
59I96.9Very high96.2Very high4 Ų431.8 Ų31.82%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-71.4123.2155.9-175.2178.4000108R37 F40 A41 P50 S51 I53 S89 Y91R37-I59 HydrophobicContact CG-CD1 4.23Å; F40-I59 HydrophobicContact CB-CD1 4.11Å; A41-I59 HydrophobicContact CB-CD1 4.38Å; A41-I59 HydrophobicContact CB-CG2 4.16Å; P50-I59 VanDerWaalsContact CA-O 3.27Å; P50-I59 WeakPolarHBondContact CA-O 3.31Å; S51-I59 PolarHBondContact N-O 2.93Å; S51-I59 VanDerWaalsContact N-O 3.11Å; S51-I59 WeakPolarHBondContact O-CG2 3.37Å; S51-I59 PolarHBondContact O-N 3.35Å; I53-I59 HydrophobicContact CG2-CB 4Å; I53-I59 HydrophobicContact CG2-CG2 4.02Å; I59-S89 WeakPolarHBondContact CD1-OG 3.3Å; I59-Y91 HydrophobicContact CD1-CG 4.26Å
60S95.5Very high96.4Very high20 Ų2028 Ų2814%0.1417%0.168CC..PPolyproline II helixtrans-59.3154.9-178-64.90000112.6R37 T58 H65R37-S60 PolarHBondContact NH1-O 3.46Å; R37-S60 PolarHBondContact NH2-O 2.87Å; T58-S60 PolarHBondContact O-N 2.89Å; S60-H65 PolarHBondContact O-CE1 3.27Å
61A96.2Very high96.6Very high3 Ų325.4 Ų25.43%0.02515%0.152CC..PPolyproline II helixtrans-55.1141.8177.400000111.6P50 H63 M64 H65P50-A61 HydrophobicContact CG-CB 4.29Å; A61-H63 WeakPolarHBondContact CB-CE1 3.15Å; A61-H63 WeakPolarHBondContact CB-ND1 3.18Å; A61-H63 PolarHBondContact O-N 3.5Å; A61-M64 HydrophobicContact CB-CG 4.49Å; A61-M64 WeakPolarHBondContact O-CB 3.25Å; A61-M64 PolarHBondContact O-N 2.89Å; A61-H65 PolarHBondContact O-N 3.41Å
62P97.5Very high96.8Very high1 Ų125.1 Ų25.11%0.00615%0.151CC..Hα-helixtrans-46.1-42.5174.9-29.132.4000114.5L13 L17 D48 M64 H65 A66L13-P62 HydrophobicContact CD1-CB 3.92Å; L13-P62 HydrophobicContact CD1-CG 4Å; L13-P62 HydrophobicContact CD2-CB 3.97Å; L13-P62 HydrophobicContact CD2-CG 3.71Å; L13-P62 HydrophobicContact CG-CB 4.35Å; L13-P62 HydrophobicContact CG-CG 4.45Å; L17-P62 HydrophobicContact CD1-CB 3.87Å; D48-P62 WeakPolarHBondContact OD1-CB 3.39Å; D48-P62 VanDerWaalsContact OD1-CD 3.27Å; D48-P62 WeakPolarHBondContact OD1-CD 3.34Å; P62-M64 VanDerWaalsContact C-N 3.31Å; P62-M64 PolarHBondContact O-N 2.88Å; P62-H65 PolarHBondContact O-N 3.47Å; P62-A66 PolarHBondContact O-N 3.35Å
63H96.7Very high96.9Very high34 Ų3424 Ų2416%0.15714%0.136CC..Hα-helixtrans-64.4-32.5177.169.2-95.3000113.7A2 L17 V22 D48 A61 A66 Y67A2-H63 HydrophobicContact CB-CB 3.71Å; L17-H63 HydrophobicContact CD2-CB 3.9Å; V22-H63 HydrophobicContact CG1-CB 3.66Å; D48-H63 IonicContact OD1-CE1 3.25Å; D48-H63 IonicContact OD1-CG 3.69Å; D48-H63 PolarHBondContact OD1-N 3.02Å; D48-H63 IonicContact OD1-ND1 3.12Å; D48-H63 PolarHBondContact OD1-ND1 3.47Å; D48-H63 IonicContact OD2-CE1 2.75Å; D48-H63 IonicContact OD2-CG 2.73Å; D48-H63 IonicContact OD2-ND1 2.63Å; D48-H63 PolarHBondContact OD2-ND1 3.34Å; A61-H63 WeakPolarHBondContact CB-CE1 3.15Å; A61-H63 WeakPolarHBondContact CB-ND1 3.18Å; A61-H63 PolarHBondContact O-N 3.5Å; H63-A66 WeakPolarHBondContact O-CB 3.49Å; H63-A66 PolarHBondContact O-N 3.45Å; H63-Y67 HydrophobicContact CB-CE2 4.36Å; H63-Y67 AromaticContact CD2-CE2 3.83Å; H63-Y67 WeakPolarHBondContact O-CD2 3.48Å; H63-Y67 PolarHBondContact O-N 3.37Å
64M96.8Very high97Very high17 Ų1728.3 Ų28.38%0.08416%0.159CC..Hα-helixtrans-71.1-37.6177.3-72-44.3-50.800111.6A61 P62 A66 Y67 A68 L200 V219 Y221A61-M64 HydrophobicContact CB-CG 4.49Å; A61-M64 WeakPolarHBondContact O-CB 3.25Å; A61-M64 PolarHBondContact O-N 2.89Å; P62-M64 VanDerWaalsContact C-N 3.31Å; P62-M64 PolarHBondContact O-N 2.88Å; M64-A66 VanDerWaalsContact C-N 3.35Å; M64-Y67 HydrophobicContact CE-CD2 4.28Å; M64-Y67 PolarHBondContact O-N 3.05Å; M64-Y67 HydrophobicContact SD-CD2 3.98Å; M64-A68 WeakPolarHBondContact O-CB 3.44Å; M64-A68 PolarHBondContact O-N 2.96Å; M64-L200 HydrophobicContact CE-CD2 4.25Å; M64-V219 HydrophobicContact CE-CG1 3.8Å; M64-V219 HydrophobicContact SD-CG1 4.37Å; M64-Y221 HydrophobicContact CE-CE2 3.83Å; M64-Y221 WeakPolarHBondContact CE-OH 3.39Å; M64-Y221 HydrophobicContact CG-CE2 4.38Å
65H98.1Very high97.2Very high13 Ų1328.8 Ų28.86%0.0616%0.155CC..Hα-helixtrans-63.5-42170.2-64.9151.2000111.8M32 R37 S60 A61 P62 Y67 A68 L69 Y91 L92M32-H65 HydrophobicContact CE-CB 4.35Å; R37-H65 PolarHBondContact NH1-CE1 3.22Å; R37-H65 PolarHBondContact NH1-ND1 2.99Å; S60-H65 PolarHBondContact O-CE1 3.27Å; A61-H65 PolarHBondContact O-N 3.41Å; P62-H65 PolarHBondContact O-N 3.47Å; H65-Y67 PolarHBondContact O-N 3.28Å; H65-A68 PolarHBondContact O-N 2.89Å; H65-L69 WeakPolarHBondContact O-CB 3.29Å; H65-L69 VanDerWaalsContact O-CG 3.32Å; H65-L69 WeakPolarHBondContact O-CG 3.37Å; H65-L69 PolarHBondContact O-N 2.97Å; H65-Y91 HydrophobicContact CB-CD1 4.43Å; H65-Y91 HydrophobicContact CB-CE1 3.92Å; H65-Y91 AromaticContact CE1-CD1 3.28Å; H65-Y91 WeakPolarHBondContact CE1-CD1 3.28Å; H65-Y91 AromaticContact CE1-CE1 3.87Å; H65-Y91 AromaticContact CG-CD1 3.78Å; H65-Y91 AromaticContact CG-CE1 3.73Å; H65-Y91 AromaticContact ND1-CD1 3.12Å; H65-Y91 WeakPolarHBondContact ND1-CD1 3.37Å; H65-Y91 AromaticContact ND1-CE1 3.19Å; H65-Y91 WeakPolarHBondContact ND1-CE1 3.44Å; H65-L92 HydrophobicContact CB-CD1 4.32Å
66A97.9Very high97.4Very high0 Ų024.6 Ų24.60%014%0.139CC..Hα-helixtrans-59.1-45.7174.700000111.8V22 I23 M32 P62 H63 M64 L69 E70V22-A66 HydrophobicContact CG1-CB 3.83Å; I23-A66 HydrophobicContact CD1-CB 4.29Å; I23-A66 HydrophobicContact CG1-CB 3.58Å; M32-A66 HydrophobicContact CE-CB 4.21Å; M32-A66 HydrophobicContact SD-CB 3.8Å; P62-A66 PolarHBondContact O-N 3.35Å; H63-A66 WeakPolarHBondContact O-CB 3.49Å; H63-A66 PolarHBondContact O-N 3.45Å; M64-A66 VanDerWaalsContact C-N 3.35Å; A66-L69 PolarHBondContact O-N 3.33Å; A66-E70 WeakPolarHBondContact O-CB 3.47Å; A66-E70 VanDerWaalsContact O-CG 3.29Å; A66-E70 WeakPolarHBondContact O-CG 3.07Å; A66-E70 PolarHBondContact O-N 2.79Å
67Y97.2Very high97.6Very high68 Ų6826.7 Ų26.727%0.26713%0.134SC..Hα-helixtrans-63.3-41.1176.5-72.7-50.2000112.9V22 H63 M64 H65 E70 A71 M217V22-Y67 HydrophobicContact CG1-CE1 4.15Å; V22-Y67 HydrophobicContact CG1-CE2 4.21Å; H63-Y67 HydrophobicContact CB-CE2 4.36Å; H63-Y67 AromaticContact CD2-CE2 3.83Å; H63-Y67 WeakPolarHBondContact O-CD2 3.48Å; H63-Y67 PolarHBondContact O-N 3.37Å; M64-Y67 HydrophobicContact CE-CD2 4.28Å; M64-Y67 PolarHBondContact O-N 3.05Å; M64-Y67 HydrophobicContact SD-CD2 3.98Å; H65-Y67 PolarHBondContact O-N 3.28Å; Y67-E70 PolarHBondContact O-N 3.3Å; Y67-A71 VanDerWaalsContact O-CB 3.29Å; Y67-A71 WeakPolarHBondContact O-CB 3.29Å; Y67-A71 PolarHBondContact O-N 2.97Å; Y67-M217 HydrophobicContact CD1-SD 4.42Å; Y67-M217 HydrophobicContact CD2-CE 3.92Å; Y67-M217 HydrophobicContact CD2-SD 4Å; Y67-M217 HydrophobicContact CE2-CE 3.62Å; Y67-M217 HydrophobicContact CE2-SD 4.13Å; Y67-M217 HydrophobicContact CG-SD 4.16Å
68A98.5Very high97.7Very high3 Ų331.3 Ų31.33%0.02516%0.163CC..Hα-helixtrans-60.9-48.6175.600000111.5M64 H65 A71 L72 L92M64-A68 WeakPolarHBondContact O-CB 3.44Å; M64-A68 PolarHBondContact O-N 2.96Å; H65-A68 PolarHBondContact O-N 2.89Å; A68-A71 PolarHBondContact O-N 2.77Å; A68-L72 WeakPolarHBondContact O-CB 3.35Å; A68-L72 WeakPolarHBondContact O-CG 3.49Å; A68-L72 PolarHBondContact O-N 2.88Å; A68-L92 HydrophobicContact CB-CD2 4.18Å
69L98.8Very high97.8Very high1 Ų130.3 Ų30.31%0.00516%0.163CC..Hα-helixtrans-64-42.2177.9-67.9172.5000111.9V28 M32 H65 A66 A71 L72 K73 L76 L92 C95 M96 M99V28-L69 HydrophobicContact CB-CB 4.47Å; V28-L69 HydrophobicContact CG1-CB 3.72Å; V28-L69 HydrophobicContact CG1-CD1 4.18Å; V28-L69 HydrophobicContact CG2-CB 3.95Å; M32-L69 HydrophobicContact CG-CD1 3.64Å; M32-L69 HydrophobicContact SD-CD1 4.04Å; H65-L69 WeakPolarHBondContact O-CB 3.29Å; H65-L69 VanDerWaalsContact O-CG 3.32Å; H65-L69 WeakPolarHBondContact O-CG 3.37Å; H65-L69 PolarHBondContact O-N 2.97Å; A66-L69 PolarHBondContact O-N 3.33Å; L69-A71 VanDerWaalsContact C-N 3.34Å; L69-A71 PolarHBondContact O-N 2.81Å; L69-L72 PolarHBondContact O-N 2.9Å; L69-K73 WeakPolarHBondContact O-CA 3.41Å; L69-K73 WeakPolarHBondContact O-CB 3.25Å; L69-K73 PolarHBondContact O-N 2.97Å; L69-L76 HydrophobicContact CD2-CD1 3.7Å; L69-L92 HydrophobicContact CD1-CD1 4.2Å; L69-L92 HydrophobicContact CD2-CD1 3.68Å; L69-L92 HydrophobicContact CG-CD1 3.69Å; L69-C95 HydrophobicContact CD1-CB 3.96Å; L69-C95 HydrophobicContact CD2-CB 4.05Å; L69-M96 HydrophobicContact CD2-CG 4.12Å; L69-M99 HydrophobicContact CD2-SD 3.9Å
70E98.3Very high97.9Very high23 Ų2330.4 Ų30.411%0.10717%0.165CC..Hα-helixtrans-62.4-39.8176-77.6-69.2172.700112.5S24 S25 V28 A66 Y67 L72 K73S24-E70 PolarHBondContact N-OE1 2.8Å; S24-E70 VanDerWaalsContact OG-CD 3.3Å; S24-E70 PolarHBondContact OG-OE1 3.34Å; S24-E70 PolarHBondContact OG-OE2 2.81Å; S25-E70 PolarHBondContact N-OE1 2.87Å; S25-E70 VanDerWaalsContact OG-CD 3.3Å; S25-E70 PolarHBondContact OG-OE1 2.97Å; S25-E70 PolarHBondContact OG-OE2 2.82Å; V28-E70 HydrophobicContact CG1-CG 4.3Å; V28-E70 HydrophobicContact CG2-CG 4.25Å; A66-E70 WeakPolarHBondContact O-CB 3.47Å; A66-E70 VanDerWaalsContact O-CG 3.29Å; A66-E70 WeakPolarHBondContact O-CG 3.07Å; A66-E70 PolarHBondContact O-N 2.79Å; Y67-E70 PolarHBondContact O-N 3.3Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-K73 WeakPolarHBondContact O-CG 3.24Å; E70-K73 IonicContact OE2-NZ 3.82Å; E70-K73 PolarHBondContact OE2-NZ 2.87Å
71A98.2Very high98.1Very high15 Ų1532.2 Ų32.212%0.12417%0.171CC..Hα-helixtrans-71-28.9178.700000112.8Y67 A68 L69 R186 I188 L216Y67-A71 VanDerWaalsContact O-CB 3.29Å; Y67-A71 WeakPolarHBondContact O-CB 3.29Å; Y67-A71 PolarHBondContact O-N 2.97Å; A68-A71 PolarHBondContact O-N 2.77Å; L69-A71 VanDerWaalsContact C-N 3.34Å; L69-A71 PolarHBondContact O-N 2.81Å; A71-R186 WeakPolarHBondContact O-CD 3.35Å; A71-R186 PolarHBondContact O-NH1 3.26Å; A71-I188 HydrophobicContact CB-CD1 3.68Å; A71-I188 HydrophobicContact CB-CG1 3.89Å; A71-L216 HydrophobicContact CB-CD1 4.43Å
72L98.7Very high98.2Very high1 Ų132.1 Ų32.11%0.00517%0.17CC..Hα-helixtrans-101.6-12.4-175.9-66.6171.9000114.4A68 L69 E70 D74 H75 L76 A163 H165 R186 I188A68-L72 WeakPolarHBondContact O-CB 3.35Å; A68-L72 WeakPolarHBondContact O-CG 3.49Å; A68-L72 PolarHBondContact O-N 2.88Å; L69-L72 PolarHBondContact O-N 2.9Å; E70-L72 VanDerWaalsContact C-N 3.32Å; L72-D74 PolarHBondContact O-N 3.32Å; L72-H75 CarbonylContact O-C 3.58Å; L72-H75 WeakPolarHBondContact O-CA 3.39Å; L72-H75 WeakPolarHBondContact O-CB 3.49Å; L72-H75 PolarHBondContact O-N 2.86Å; L72-L76 HydrophobicContact CB-CD1 3.86Å; L72-L76 HydrophobicContact CB-CD2 4.33Å; L72-L76 HydrophobicContact CB-CG 3.83Å; L72-L76 WeakPolarHBondContact O-CG 3.38Å; L72-L76 PolarHBondContact O-N 3.4Å; L72-A163 HydrophobicContact CD2-CB 3.86Å; L72-H165 HydrophobicContact CD1-CB 3.89Å; L72-R186 HydrophobicContact CD2-CB 4.26Å; L72-R186 HydrophobicContact CD2-CG 3.87Å; L72-I188 HydrophobicContact CD1-CG1 4.36Å; L72-I188 HydrophobicContact CD2-CB 4.44Å; L72-I188 HydrophobicContact CD2-CG1 3.61Å; L72-I188 HydrophobicContact CG-CG1 3.79Å
73K98.5Very high98.3Very high52 Ų5232 Ų3223%0.22617%0.17CC..THydrogen-bonded Turntrans-50.1-34.4-170.668.6-171.9173.7-168.80115.5I27 V28 L69 E70 H75 L76 M99I27-K73 HydrophobicContact CG2-CB 4.41Å; V28-K73 HydrophobicContact CG2-CB 4.21Å; V28-K73 HydrophobicContact CG2-CD 4.45Å; L69-K73 WeakPolarHBondContact O-CA 3.41Å; L69-K73 WeakPolarHBondContact O-CB 3.25Å; L69-K73 PolarHBondContact O-N 2.97Å; E70-K73 WeakPolarHBondContact O-CG 3.24Å; E70-K73 IonicContact OE2-NZ 3.82Å; E70-K73 PolarHBondContact OE2-NZ 2.87Å; K73-H75 PolarHBondContact O-N 3.35Å; K73-L76 PolarHBondContact O-N 3.31Å; K73-M99 HydrophobicContact CB-CE 4.03Å
74D98.3Very high98.4Very high90 Ų9030.6 Ų30.648%0.48116%0.163SC..THydrogen-bonded Turntrans-73.3-9.8-179.7-62.3-40.7000113.5L72 K77L72-D74 PolarHBondContact O-N 3.32Å; D74-K77 WeakPolarHBondContact O-CD 3.46Å; D74-K77 WeakPolarHBondContact O-CE 3.43Å; D74-K77 PolarHBondContact O-NZ 3.5Å; D74-K77 VanDerWaalsContact O-NZ 3.12Å
75H98.7Very high98.5Very high32 Ų3229.8 Ų29.815%0.14816%0.159CC..THydrogen-bonded Turntrans-116.9-19.6-178.8-55.257.6000111.1L72 K73 K77 A80 D162 A163 G184 R186L72-H75 CarbonylContact O-C 3.58Å; L72-H75 WeakPolarHBondContact O-CA 3.39Å; L72-H75 WeakPolarHBondContact O-CB 3.49Å; L72-H75 PolarHBondContact O-N 2.86Å; K73-H75 PolarHBondContact O-N 3.35Å; H75-K77 PolarHBondContact O-N 3.06Å; H75-K77 VanDerWaalsContact O-N 3.1Å; H75-A80 VanDerWaalsContact O-CB 3.25Å; H75-A80 WeakPolarHBondContact O-CB 3.31Å; H75-D162 PolarHBondContact CD2-O 3.11Å; H75-A163 HydrophobicContact CB-CB 3.86Å; H75-G184 PolarHBondContact NE2-O 3.13Å; H75-R186 VanDerWaalsContact CD2-CB 3.46Å; H75-R186 WeakPolarHBondContact CD2-CB 3.25Å; H75-R186 PolarHBondContact CD2-N 2.75Å; H75-R186 WeakPolarHBondContact NE2-CB 3.25Å
76L98.7Very high98.5Very high1 Ų130.8 Ų30.81%0.00517%0.173CC..SBendtrans-83.262.8169.5-57.3-179.3000110.5L69 L72 K73 V82 M96 M99 A163L69-L76 HydrophobicContact CD2-CD1 3.7Å; L72-L76 HydrophobicContact CB-CD1 3.86Å; L72-L76 HydrophobicContact CB-CD2 4.33Å; L72-L76 HydrophobicContact CB-CG 3.83Å; L72-L76 WeakPolarHBondContact O-CG 3.38Å; L72-L76 PolarHBondContact O-N 3.4Å; K73-L76 PolarHBondContact O-N 3.31Å; L76-V82 HydrophobicContact CD2-CB 4.14Å; L76-V82 HydrophobicContact CD2-CG1 3.68Å; L76-V82 HydrophobicContact CD2-CG2 4.27Å; L76-M96 HydrophobicContact CD1-CG 3.94Å; L76-M96 HydrophobicContact CD1-SD 4.5Å; L76-M96 HydrophobicContact CD2-CB 4.31Å; L76-M96 HydrophobicContact CD2-CG 3.95Å; L76-M96 HydrophobicContact CD2-SD 3.88Å; L76-M99 HydrophobicContact CB-CB 3.86Å; L76-M99 HydrophobicContact CB-CE 3.77Å; L76-M99 HydrophobicContact CB-SD 4.05Å; L76-M99 HydrophobicContact CD1-CE 4.01Å; L76-M99 HydrophobicContact CD1-SD 3.57Å; L76-M99 VanDerWaalsContact CD1-SD 3.57Å; L76-M99 HydrophobicContact CG-SD 4.46Å; L76-A163 HydrophobicContact CD2-CB 4.01Å
77K98Very high98.5Very high118 Ų11831.1 Ų31.151%0.51318%0.175SC..  trans-105.4157.7-178.3-70.4179.9175.6159.20111.7D74 H75 G79 A80 V100D74-K77 WeakPolarHBondContact O-CD 3.46Å; D74-K77 WeakPolarHBondContact O-CE 3.43Å; D74-K77 PolarHBondContact O-NZ 3.5Å; D74-K77 VanDerWaalsContact O-NZ 3.12Å; H75-K77 PolarHBondContact O-N 3.06Å; H75-K77 VanDerWaalsContact O-N 3.1Å; K77-G79 PolarHBondContact O-N 3.43Å; K77-A80 WeakPolarHBondContact O-CB 3.31Å; K77-A80 PolarHBondContact O-N 3.34Å; K77-V100 WeakPolarHBondContact O-CA 3.48Å
78P98.4Very high98.5Very high108 Ų10828.2 Ų28.270%0.70117%0.166SC*.THydrogen-bonded Turntrans-48.5124.5172.1-3036.7000112.2V100P78-V100 CarbonylContact C-O 3.59Å; P78-V100 VanDerWaalsContact CA-O 3.24Å; P78-V100 WeakPolarHBondContact CA-O 3.41Å
79G98.3Very high98.5Very high32 Ų3228.2 Ų28.233%0.3317%0.166SC..THydrogen-bonded Turntrans91.5-4.7-177.300000115.8K77 V100 T103K77-G79 PolarHBondContact O-N 3.43Å; G79-V100 PolarHBondContact N-O 3.4Å; G79-T103 WeakPolarHBondContact CA-O 3.47Å; G79-T103 WeakPolarHBondContact CA-OG1 3.25Å; G79-T103 PolarHBondContact N-OG1 3.25Å; G79-T103 VanDerWaalsContact N-OG1 3.14Å
80A98.7Very high98.5Very high6 Ų628.2 Ų28.25%0.0517%0.165CC..  trans-73.6150.517900000112.5H75 K77 V82 V100 G104 V105 D162H75-A80 VanDerWaalsContact O-CB 3.25Å; H75-A80 WeakPolarHBondContact O-CB 3.31Å; K77-A80 WeakPolarHBondContact O-CB 3.31Å; K77-A80 PolarHBondContact O-N 3.34Å; A80-V82 HydrophobicContact CB-CG1 4.16Å; A80-V100 HydrophobicContact CB-CB 4.39Å; A80-V100 HydrophobicContact CB-CG1 3.87Å; A80-G104 CarbonylContact O-C 3.57Å; A80-G104 WeakPolarHBondContact O-CA 3.12Å; A80-V105 PolarHBondContact O-N 3.31Å; A80-D162 WeakPolarHBondContact CA-OD2 3.42Å; A80-D162 HydrophobicContact CB-CB 4.01Å
81H98.8Very high98.5Very high59 Ų5927.1 Ų27.127%0.27316%0.161SC..EExtended strand (participates in β ladder)trans-103.8125.4170.1-79.7-138.1000108.8V105 D158 Y161 D162H81-V105 CarbonylContact C-O 3.51Å; H81-V105 VanDerWaalsContact CA-O 3.31Å; H81-V105 WeakPolarHBondContact CA-O 3.4Å; H81-D158 PolarHBondContact ND1-O 3.45Å; H81-Y161 HydrophobicContact CB-CD1 4.18Å; H81-Y161 CarbonylContact O-C 3.56Å; H81-Y161 WeakPolarHBondContact O-CA 3.26Å; H81-D162 PolarHBondContact N-OD2 2.87Å; H81-D162 PolarHBondContact O-N 3.5Å
82V98.9Very high98.6Very high0 Ų026.7 Ų26.70%016%0.156CC..EExtended strand (participates in β ladder)trans-138.6148.1-172-53.20000112.3L76 A80 M96 V100 V105 A106 V107 A163L76-V82 HydrophobicContact CD2-CB 4.14Å; L76-V82 HydrophobicContact CD2-CG1 3.68Å; L76-V82 HydrophobicContact CD2-CG2 4.27Å; A80-V82 HydrophobicContact CB-CG1 4.16Å; V82-M96 HydrophobicContact CG2-CB 3.96Å; V82-M96 HydrophobicContact CG2-SD 4.27Å; V82-V100 HydrophobicContact CG1-CG1 3.83Å; V82-V100 HydrophobicContact CG2-CG1 3.95Å; V82-V105 PolarHBondContact N-O 3.3Å; V82-A106 HydrophobicContact CG2-CB 3.56Å; V82-A106 WeakPolarHBondContact O-CA 3.23Å; V82-V107 PolarHBondContact O-N 2.91Å; V82-A163 CarbonylContact C-O 3.48Å; V82-A163 WeakPolarHBondContact CA-O 3.27Å; V82-A163 HydrophobicContact CB-CB 4.31Å; V82-A163 HydrophobicContact CG1-CB 3.83Å
83L98.9Very high98.6Very high0 Ų026.6 Ų26.60%016%0.156CC..EExtended strand (participates in β ladder)trans-120.9133.5-177.9-178.264.7000111.1V85 V107 I109 W155 Y161 A163 I164 H165 L177L83-V85 HydrophobicContact CD2-CG2 3.75Å; L83-V85 HydrophobicContact CG-CG2 3.89Å; L83-V107 CarbonylContact C-O 3.58Å; L83-V107 WeakPolarHBondContact CA-O 3.48Å; L83-V107 HydrophobicContact CD1-CB 4.11Å; L83-V107 HydrophobicContact CD1-CG1 4.22Å; L83-I109 HydrophobicContact CD1-CB 4.48Å; L83-I109 HydrophobicContact CD1-CG2 3.9Å; L83-W155 HydrophobicContact CD1-CB 3.92Å; L83-Y161 HydrophobicContact CB-CD1 3.94Å; L83-Y161 HydrophobicContact CB-CD2 3.97Å; L83-Y161 HydrophobicContact CB-CE1 3.9Å; L83-Y161 HydrophobicContact CB-CE2 3.94Å; L83-Y161 HydrophobicContact CB-CG 3.96Å; L83-Y161 HydrophobicContact CD1-CE2 4.5Å; L83-Y161 HydrophobicContact CD2-CD2 4.2Å; L83-Y161 HydrophobicContact CD2-CE2 3.83Å; L83-Y161 HydrophobicContact CG-CE2 4.31Å; L83-A163 PolarHBondContact N-O 3.23Å; L83-I164 HydrophobicContact CB-CG1 4.15Å; L83-I164 HydrophobicContact CB-CG2 4.36Å; L83-I164 HydrophobicContact CD2-CG2 4.26Å; L83-I164 CarbonylContact O-C 3.6Å; L83-I164 WeakPolarHBondContact O-CA 3.44Å; L83-H165 PolarHBondContact O-N 3.31Å; L83-L177 HydrophobicContact CD2-CD2 4.11Å
84D98.9Very high98.6Very high4 Ų424.1 Ų24.12%0.02115%0.145CC..EExtended strand (participates in β ladder)trans-111.6102.9170.9-1606.8000109.6T93 M96 V107 G108 I109 H165D84-T93 WeakPolarHBondContact CB-OG1 3.14Å; D84-T93 PolarHBondContact OD2-N 3.39Å; D84-T93 PolarHBondContact OD2-OG1 3.23Å; D84-M96 HydrophobicContact CB-CE 3.34Å; D84-V107 PolarHBondContact N-O 3.46Å; D84-G108 WeakPolarHBondContact O-CA 3.4Å; D84-I109 PolarHBondContact O-N 3.39Å; D84-H165 IonicContact OD1-CE1 2.86Å; D84-H165 IonicContact OD1-CG 3.19Å; D84-H165 IonicContact OD1-ND1 3.91Å; D84-H165 PolarHBondContact OD1-ND1 3.48Å
85V98.8Very high98.6Very high0 Ų019.9 Ų19.90%012%0.122CC..EExtended strand (participates in β ladder)trans-86.1124.8179.31780000110.2L83 I109 G151 I164 H165 V166 G167 L177 L224L83-V85 HydrophobicContact CD2-CG2 3.75Å; L83-V85 HydrophobicContact CG-CG2 3.89Å; V85-I109 HydrophobicContact CB-CG2 4.26Å; V85-I109 HydrophobicContact CG1-CG2 4.43Å; V85-I109 HydrophobicContact CG2-CG2 4.02Å; V85-G151 WeakPolarHBondContact CG1-O 3.31Å; V85-I164 HydrophobicContact CG2-CG2 4.37Å; V85-H165 PolarHBondContact N-O 3.02Å; V85-V166 HydrophobicContact CB-CB 4.39Å; V85-V166 HydrophobicContact CB-CG1 4.17Å; V85-V166 HydrophobicContact CB-CG2 4.24Å; V85-V166 HydrophobicContact CG1-CG1 4.09Å; V85-V166 HydrophobicContact CG2-CG2 4.44Å; V85-G167 PolarHBondContact O-N 3.26Å; V85-L177 HydrophobicContact CG2-CD1 4.36Å; V85-L177 HydrophobicContact CG2-CD2 3.84Å; V85-L224 HydrophobicContact CG1-CD1 3.91Å
86G98.2Very high98.6Very high33 Ų3318.4 Ų18.434%0.3412%0.115SC..THydrogen-bonded Turntrans74.650.1-17100000110.7G88 I109G86-G88 PolarHBondContact O-N 3.35Å; G86-G88 VanDerWaalsContact O-N 3.16Å; G86-I109 WeakPolarHBondContact CA-O 3.47Å; G86-I109 PolarHBondContact N-O 3.44Å
87S98.4Very high98.6Very high7 Ų718.3 Ų18.35%0.04912%0.115CC..  trans-63.1-21-173.355.70000113.6S89 G90 T93 I109S87-S89 PolarHBondContact O-N 3.25Å; S87-G90 PolarHBondContact O-N 2.97Å; S87-T93 WeakPolarHBondContact CB-OG1 3.25Å; S87-I109 PolarHBondContact N-O 3.49Å; S87-I109 PolarHBondContact OG-N 3.07Å; S87-I109 PolarHBondContact OG-O 3.26Å
88G97.9Very high98.7Very high7 Ų714.3 Ų14.37%0.07210%0.099CC..THydrogen-bonded Turntrans56.2-10517000000113.1G86 G90 E110 S119G86-G88 PolarHBondContact O-N 3.35Å; G86-G88 VanDerWaalsContact O-N 3.16Å; G88-G90 VanDerWaalsContact C-N 3.32Å; G88-E110 WeakPolarHBondContact CA-OE2 3.32Å; G88-E110 PolarHBondContact N-OE2 3.2Å; G88-S119 WeakPolarHBondContact O-CB 3.24Å
89S98.2Very high98.7Very high4 Ų49.7 Ų9.73%0.0287%0.068CC..THydrogen-bonded Turntrans-78.9-11.5178.766.30000114.7F40 I59 S87 Y91 S119 N122F40-S89 WeakPolarHBondContact CD1-O 3.47Å; F40-S89 WeakPolarHBondContact O-CB 3.47Å; I59-S89 WeakPolarHBondContact CD1-OG 3.3Å; S87-S89 PolarHBondContact O-N 3.25Å; S89-Y91 VanDerWaalsContact C-N 3.34Å; S89-Y91 PolarHBondContact OG-N 3.1Å; S89-S119 VanDerWaalsContact C-CB 3.46Å; S89-S119 VanDerWaalsContact O-CA 3.31Å; S89-S119 WeakPolarHBondContact O-CA 3.43Å; S89-S119 WeakPolarHBondContact O-CB 3.26Å; S89-N122 PolarHBondContact O-ND2 3.36Å; S89-N122 VanDerWaalsContact O-ND2 3.11Å
90G98.6Very high98.7Very high0 Ų08.1 Ų8.10%05%0.052CC..SBendtrans83.41.7-174.500000114.7S87 G88 A94S87-G90 PolarHBondContact O-N 2.97Å; G88-G90 VanDerWaalsContact C-N 3.32Å; G90-A94 WeakPolarHBondContact O-CB 3.43Å; G90-A94 PolarHBondContact O-N 3.11Å
91Y98.8Very high98.7Very high1 Ų18.2 Ų8.20%0.0045%0.054CC..Hα-helixtrans-60.3-53.2-175.8173.5-94.4000113V35 R37 F40 I59 H65 S89 A94 C95V35-Y91 HydrophobicContact CB-CE2 4.14Å; V35-Y91 HydrophobicContact CG1-CD2 3.79Å; V35-Y91 HydrophobicContact CG1-CE2 3.71Å; V35-Y91 WeakPolarHBondContact O-CE2 3.44Å; R37-Y91 HydrophobicContact CB-CD2 4.31Å; R37-Y91 HydrophobicContact CB-CE2 3.82Å; R37-Y91 HydrophobicContact CG-CD2 4.38Å; R37-Y91 HydrophobicContact CG-CE2 4.23Å; F40-Y91 HydrophobicContact CB-CD2 4.19Å; F40-Y91 VanDerWaalsContact CD1-CA 3.45Å; F40-Y91 AromaticContact CD2-CD2 3.8Å; F40-Y91 HydrophobicContact CD2-CD2 3.8Å; F40-Y91 HydrophobicContact CE2-CD2 4.33Å; F40-Y91 AromaticContact CG-CD2 3.95Å; F40-Y91 HydrophobicContact CG-CD2 3.95Å; F40-Y91 HydrophobicContact CG-CG 4.42Å; I59-Y91 HydrophobicContact CD1-CG 4.26Å; H65-Y91 HydrophobicContact CB-CD1 4.43Å; H65-Y91 HydrophobicContact CB-CE1 3.92Å; H65-Y91 AromaticContact CE1-CD1 3.28Å; H65-Y91 WeakPolarHBondContact CE1-CD1 3.28Å; H65-Y91 AromaticContact CE1-CE1 3.87Å; H65-Y91 AromaticContact CG-CD1 3.78Å; H65-Y91 AromaticContact CG-CE1 3.73Å; H65-Y91 AromaticContact ND1-CD1 3.12Å; H65-Y91 WeakPolarHBondContact ND1-CD1 3.37Å; H65-Y91 AromaticContact ND1-CE1 3.19Å; H65-Y91 WeakPolarHBondContact ND1-CE1 3.44Å; S89-Y91 VanDerWaalsContact C-N 3.34Å; S89-Y91 PolarHBondContact OG-N 3.1Å; Y91-A94 WeakPolarHBondContact O-CB 3.21Å; Y91-A94 PolarHBondContact O-N 2.86Å; Y91-C95 PolarHBondContact O-N 3.29Å
92L98.9Very high98.6Very high5 Ų58.8 Ų8.83%0.0266%0.063CC..Hα-helixtrans-70.1-38.4-176.1-177.365.2000110.8H65 A68 L69 A94 C95 M96 H165H65-L92 HydrophobicContact CB-CD1 4.32Å; A68-L92 HydrophobicContact CB-CD2 4.18Å; L69-L92 HydrophobicContact CD1-CD1 4.2Å; L69-L92 HydrophobicContact CD2-CD1 3.68Å; L69-L92 HydrophobicContact CG-CD1 3.69Å; L92-A94 VanDerWaalsContact C-N 3.27Å; L92-A94 PolarHBondContact O-N 2.86Å; L92-C95 WeakPolarHBondContact O-CB 3.35Å; L92-C95 PolarHBondContact O-N 2.65Å; L92-C95 VanDerWaalsContact O-N 3.15Å; L92-M96 HydrophobicContact CG-CE 4.34Å; L92-M96 WeakPolarHBondContact O-CG 3.26Å; L92-M96 PolarHBondContact O-N 3.26Å; L92-H165 HydrophobicContact CD2-CB 4.39Å; L92-H165 WeakPolarHBondContact CD2-CE1 3.42Å; L92-H165 WeakPolarHBondContact CD2-ND1 3.47Å
93T98.9Very high98.6Very high0 Ų013.7 Ų13.70%09%0.092CC..Hα-helixtrans-54.9-43.2171-44.40000111.5D84 S87 M96 A97 A106 L146D84-T93 WeakPolarHBondContact CB-OG1 3.14Å; D84-T93 PolarHBondContact OD2-N 3.39Å; D84-T93 PolarHBondContact OD2-OG1 3.23Å; S87-T93 WeakPolarHBondContact CB-OG1 3.25Å; T93-M96 PolarHBondContact O-N 2.86Å; T93-A97 WeakPolarHBondContact O-CB 3.02Å; T93-A97 PolarHBondContact O-N 3.02Å; T93-A106 HydrophobicContact CG2-CB 4.35Å; T93-L146 HydrophobicContact CG2-CD2 4.14Å
94A98.9Very high98.6Very high0 Ų013.7 Ų13.70%09%0.093CC..Hα-helixtrans-65.1-41.6175.900000112.9V35 F40 G90 Y91 L92 M96 A97 L98 W126 L144V35-A94 HydrophobicContact CG1-CB 4.15Å; F40-A94 HydrophobicContact CE1-CB 4.07Å; F40-A94 HydrophobicContact CZ-CB 3.85Å; G90-A94 WeakPolarHBondContact O-CB 3.43Å; G90-A94 PolarHBondContact O-N 3.11Å; Y91-A94 WeakPolarHBondContact O-CB 3.21Å; Y91-A94 PolarHBondContact O-N 2.86Å; L92-A94 VanDerWaalsContact C-N 3.27Å; L92-A94 PolarHBondContact O-N 2.86Å; A94-M96 VanDerWaalsContact C-N 3.35Å; A94-M96 PolarHBondContact O-N 3.41Å; A94-A97 PolarHBondContact O-N 3.45Å; A94-L98 PolarHBondContact O-N 3.08Å; A94-L98 VanDerWaalsContact O-N 3.1Å; A94-W126 HydrophobicContact CB-CE3 4.23Å; A94-W126 HydrophobicContact CB-CH2 4.35Å; A94-W126 HydrophobicContact CB-CZ3 3.92Å; A94-L144 HydrophobicContact CB-CD1 3.95Å
95C98.9Very high98.6Very high0 Ų014.5 Ų14.50%010%0.098CC..Hα-helixtrans-58.9-46.4172.3-70.60000111.6T31 V35 L69 Y91 L92 L98 M99T31-C95 HydrophobicContact CG2-CB 3.73Å; T31-C95 VanDerWaalsContact CG2-O 3.28Å; T31-C95 WeakPolarHBondContact CG2-O 3.35Å; V35-C95 HydrophobicContact CG2-CB 4.49Å; L69-C95 HydrophobicContact CD1-CB 3.96Å; L69-C95 HydrophobicContact CD2-CB 4.05Å; Y91-C95 PolarHBondContact O-N 3.29Å; L92-C95 WeakPolarHBondContact O-CB 3.35Å; L92-C95 PolarHBondContact O-N 2.65Å; L92-C95 VanDerWaalsContact O-N 3.15Å; C95-L98 PolarHBondContact O-N 3.08Å; C95-M99 WeakPolarHBondContact O-CG 3.11Å; C95-M99 PolarHBondContact O-N 2.98Å
96M98.9Very high98.6Very high1 Ų114.5 Ų14.51%0.00510%0.098CC..Hα-helixtrans-64.2-41178.3-69.8-165.3-67.200111.7L69 L76 V82 D84 L92 T93 A94 L98 M99 V100 A106L69-M96 HydrophobicContact CD2-CG 4.12Å; L76-M96 HydrophobicContact CD1-CG 3.94Å; L76-M96 HydrophobicContact CD1-SD 4.5Å; L76-M96 HydrophobicContact CD2-CB 4.31Å; L76-M96 HydrophobicContact CD2-CG 3.95Å; L76-M96 HydrophobicContact CD2-SD 3.88Å; V82-M96 HydrophobicContact CG2-CB 3.96Å; V82-M96 HydrophobicContact CG2-SD 4.27Å; D84-M96 HydrophobicContact CB-CE 3.34Å; L92-M96 HydrophobicContact CG-CE 4.34Å; L92-M96 WeakPolarHBondContact O-CG 3.26Å; L92-M96 PolarHBondContact O-N 3.26Å; T93-M96 PolarHBondContact O-N 2.86Å; A94-M96 VanDerWaalsContact C-N 3.35Å; A94-M96 PolarHBondContact O-N 3.41Å; M96-L98 VanDerWaalsContact C-N 3.33Å; M96-L98 PolarHBondContact O-N 3.23Å; M96-M99 PolarHBondContact O-N 2.9Å; M96-V100 WeakPolarHBondContact O-CG1 3.39Å; M96-V100 PolarHBondContact O-N 3.19Å; M96-A106 HydrophobicContact CB-CB 4.19Å
97A98.8Very high98.6Very high0 Ų013 Ų130%08%0.082CC..Hα-helixtrans-58.2-42.7176.200000112.3T93 A94 M99 G101 A106 I138 L144T93-A97 WeakPolarHBondContact O-CB 3.02Å; T93-A97 PolarHBondContact O-N 3.02Å; A94-A97 PolarHBondContact O-N 3.45Å; A97-M99 VanDerWaalsContact C-N 3.31Å; A97-M99 PolarHBondContact O-N 3.13Å; A97-G101 PolarHBondContact O-N 3.48Å; A97-A106 HydrophobicContact CB-CB 3.87Å; A97-I138 HydrophobicContact CB-CD1 3.87Å; A97-L144 HydrophobicContact CB-CB 3.83Å; A97-L144 HydrophobicContact CB-CD1 3.8Å; A97-L144 HydrophobicContact CB-CG 3.92Å
98L98.5Very high98.7Very high34 Ų3412.6 Ų12.618%0.1788%0.079CC..Hα-helixtrans-61.6-38.2174-75.9-177.3000112.7T31 V35 A94 C95 M96 W126 I138T31-L98 HydrophobicContact CG2-CB 4.45Å; V35-L98 HydrophobicContact CG2-CD1 3.46Å; V35-L98 VanDerWaalsContact CG2-CD1 3.46Å; V35-L98 HydrophobicContact CG2-CG 4.35Å; A94-L98 PolarHBondContact O-N 3.08Å; A94-L98 VanDerWaalsContact O-N 3.1Å; C95-L98 PolarHBondContact O-N 3.08Å; M96-L98 VanDerWaalsContact C-N 3.33Å; M96-L98 PolarHBondContact O-N 3.23Å; L98-W126 HydrophobicContact CD1-CH2 4.19Å; L98-W126 HydrophobicContact CD1-CZ2 3.92Å; L98-W126 HydrophobicContact CD2-CH2 3.92Å; L98-W126 HydrophobicContact CD2-CZ2 4.17Å; L98-W126 HydrophobicContact CG-CH2 3.86Å; L98-W126 HydrophobicContact CG-CZ2 4.1Å; L98-I138 HydrophobicContact CD2-CD1 3.94Å; L98-I138 HydrophobicContact CG-CD1 4.41Å
99M98.7Very high98.7Very high10 Ų1012.3 Ų12.35%0.0498%0.076CC..Hα-helixtrans-74.2-38-177.8-68.1-178.574.700112.4I27 T31 L69 K73 L76 C95 M96 A97 G101I27-M99 HydrophobicContact CD1-CE 4.03Å; I27-M99 HydrophobicContact CG1-CE 4.08Å; I27-M99 HydrophobicContact CG2-CE 4.34Å; T31-M99 HydrophobicContact CG2-CG 3.76Å; T31-M99 HydrophobicContact CG2-SD 4.06Å; T31-M99 VanDerWaalsContact OG1-CG 3.25Å; T31-M99 WeakPolarHBondContact OG1-CG 3.45Å; L69-M99 HydrophobicContact CD2-SD 3.9Å; K73-M99 HydrophobicContact CB-CE 4.03Å; L76-M99 HydrophobicContact CB-CB 3.86Å; L76-M99 HydrophobicContact CB-CE 3.77Å; L76-M99 HydrophobicContact CB-SD 4.05Å; L76-M99 HydrophobicContact CD1-CE 4.01Å; L76-M99 HydrophobicContact CD1-SD 3.57Å; L76-M99 VanDerWaalsContact CD1-SD 3.57Å; L76-M99 HydrophobicContact CG-SD 4.46Å; C95-M99 WeakPolarHBondContact O-CG 3.11Å; C95-M99 PolarHBondContact O-N 2.98Å; M96-M99 PolarHBondContact O-N 2.9Å; A97-M99 VanDerWaalsContact C-N 3.31Å; A97-M99 PolarHBondContact O-N 3.13Å; M99-G101 VanDerWaalsContact C-N 3.34Å
100V98.8Very high98.7Very high0 Ų012.6 Ų12.60%08%0.077CC..Hα-helixtrans-80.9-16.5176.8-51.70000113.4K77 P78 G79 A80 V82 M96 G104 A106K77-V100 WeakPolarHBondContact O-CA 3.48Å; P78-V100 CarbonylContact C-O 3.59Å; P78-V100 VanDerWaalsContact CA-O 3.24Å; P78-V100 WeakPolarHBondContact CA-O 3.41Å; G79-V100 PolarHBondContact N-O 3.4Å; A80-V100 HydrophobicContact CB-CB 4.39Å; A80-V100 HydrophobicContact CB-CG1 3.87Å; V82-V100 HydrophobicContact CG1-CG1 3.83Å; V82-V100 HydrophobicContact CG2-CG1 3.95Å; M96-V100 WeakPolarHBondContact O-CG1 3.39Å; M96-V100 PolarHBondContact O-N 3.19Å; V100-G104 PolarHBondContact O-N 2.73Å; V100-A106 HydrophobicContact CG2-CB 4.41Å
101G98.4Very high98.7Very high8 Ų814 Ų148%0.0828%0.083CC..  trans66.9-170.3168.200000115A97 M99 T103 G104A97-G101 PolarHBondContact O-N 3.48Å; M99-G101 VanDerWaalsContact C-N 3.34Å; G101-T103 PolarHBondContact O-N 2.83Å; G101-T103 VanDerWaalsContact O-N 3.13Å; G101-G104 PolarHBondContact O-N 3.13Å; G101-G104 VanDerWaalsContact O-N 3.14Å
102P98.2Very high98.6Very high71 Ų7114 Ų1446%0.4618%0.083SC..THydrogen-bonded Turntrans-67.3-15.3-172.326.5-35.3000114.2Q143P102-Q143 WeakPolarHBondContact O-CG 3.39Å; P102-Q143 PolarHBondContact O-NE2 2.58Å
103T98.3Very high98.5Very high102 Ų10216.6 Ų16.663%0.62610%0.098SC*.THydrogen-bonded Turntrans-98.9-9.1178.454.30000113.5G79 G101G79-T103 WeakPolarHBondContact CA-O 3.47Å; G79-T103 WeakPolarHBondContact CA-OG1 3.25Å; G79-T103 PolarHBondContact N-OG1 3.25Å; G79-T103 VanDerWaalsContact N-OG1 3.14Å; G101-T103 PolarHBondContact O-N 2.83Å; G101-T103 VanDerWaalsContact O-N 3.13Å
104G98.6Very high98.5Very high1 Ų119.1 Ų19.11%0.0111%0.109CC..SBendtrans-104.3-178.9178.300000112.7A80 V100 G101 Q143A80-G104 CarbonylContact O-C 3.57Å; A80-G104 WeakPolarHBondContact O-CA 3.12Å; V100-G104 PolarHBondContact O-N 2.73Å; G101-G104 PolarHBondContact O-N 3.13Å; G101-G104 VanDerWaalsContact O-N 3.14Å; G104-Q143 WeakPolarHBondContact O-CB 3.33Å; G104-Q143 WeakPolarHBondContact O-CG 3.39Å
105V98.8Very high98.5Very high21 Ų2119.1 Ų19.113%0.12711%0.109CC..EExtended strand (participates in β ladder)trans-140125.4176.9-176.60000109.4A80 H81 V82 V107 Q143 K145A80-V105 PolarHBondContact O-N 3.31Å; H81-V105 CarbonylContact C-O 3.51Å; H81-V105 VanDerWaalsContact CA-O 3.31Å; H81-V105 WeakPolarHBondContact CA-O 3.4Å; V82-V105 PolarHBondContact N-O 3.3Å; V105-V107 HydrophobicContact CG1-CG2 3.92Å; V105-Q143 CarbonylContact C-O 3.55Å; V105-Q143 WeakPolarHBondContact CA-O 3.13Å; V105-K145 HydrophobicContact CG1-CD 4.16Å; V105-K145 HydrophobicContact CG1-CG 4.37Å
106A98.9Very high98.5Very high0 Ų019.4 Ų19.40%011%0.111CC..EExtended strand (participates in β ladder)trans-109.6122.5168.200000109.4V82 T93 M96 A97 V100 Q143 K145V82-A106 HydrophobicContact CG2-CB 3.56Å; V82-A106 WeakPolarHBondContact O-CA 3.23Å; T93-A106 HydrophobicContact CG2-CB 4.35Å; M96-A106 HydrophobicContact CB-CB 4.19Å; A97-A106 HydrophobicContact CB-CB 3.87Å; V100-A106 HydrophobicContact CG2-CB 4.41Å; A106-Q143 PolarHBondContact N-O 2.96Å; A106-K145 PolarHBondContact O-N 3Å
107V98.9Very high98.5Very high0 Ų026 Ų260%014%0.14CC..EExtended strand (participates in β ladder)trans-109.9124177.1-173.50000109V82 L83 D84 V105 K145 V147 W155 D158 Y161V82-V107 PolarHBondContact O-N 2.91Å; L83-V107 CarbonylContact C-O 3.58Å; L83-V107 WeakPolarHBondContact CA-O 3.48Å; L83-V107 HydrophobicContact CD1-CB 4.11Å; L83-V107 HydrophobicContact CD1-CG1 4.22Å; D84-V107 PolarHBondContact N-O 3.46Å; V105-V107 HydrophobicContact CG1-CG2 3.92Å; V107-K145 CarbonylContact C-O 3.56Å; V107-K145 WeakPolarHBondContact CA-O 3.5Å; V107-K145 HydrophobicContact CG1-CB 4.34Å; V107-K145 HydrophobicContact CG2-CB 4.25Å; V107-K145 HydrophobicContact CG2-CD 4.26Å; V107-V147 HydrophobicContact CG1-CG2 3.88Å; V107-W155 HydrophobicContact CG1-CG 4.1Å; V107-D158 HydrophobicContact CG2-CB 3.86Å; V107-Y161 HydrophobicContact CG2-CE1 4.45Å
108G98.9Very high98.4Very high0 Ų027.8 Ų27.80%015%0.148CC..EExtended strand (participates in β ladder)trans-100.7125.7166.600000110.4D84 K145 L146 V147D84-G108 WeakPolarHBondContact O-CA 3.4Å; G108-K145 PolarHBondContact N-O 3.32Å; G108-L146 WeakPolarHBondContact O-CA 3.49Å; G108-V147 WeakPolarHBondContact O-CG2 3.48Å; G108-V147 PolarHBondContact O-N 2.97Å
109I98.8Very high98.5Very high1 Ų126.2 Ų26.21%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-111.5130176.6-174.5169.4000110.5L83 D84 V85 G86 S87 V147 G154 W155L83-I109 HydrophobicContact CD1-CB 4.48Å; L83-I109 HydrophobicContact CD1-CG2 3.9Å; D84-I109 PolarHBondContact O-N 3.39Å; V85-I109 HydrophobicContact CB-CG2 4.26Å; V85-I109 HydrophobicContact CG1-CG2 4.43Å; V85-I109 HydrophobicContact CG2-CG2 4.02Å; G86-I109 WeakPolarHBondContact CA-O 3.47Å; G86-I109 PolarHBondContact N-O 3.44Å; S87-I109 PolarHBondContact N-O 3.49Å; S87-I109 PolarHBondContact OG-N 3.07Å; S87-I109 PolarHBondContact OG-O 3.26Å; I109-V147 WeakPolarHBondContact CA-O 3.12Å; I109-V147 HydrophobicContact CB-CG2 4Å; I109-V147 HydrophobicContact CG1-CG2 4.14Å; I109-G154 WeakPolarHBondContact CD1-O 3.47Å; I109-W155 HydrophobicContact CD1-CB 4.43Å; I109-W155 HydrophobicContact CD1-CE3 4.05Å
110E98.6Very high98.5Very high9 Ų928.2 Ų28.24%0.04215%0.15CC..EExtended strand (participates in β ladder)trans-134.1134.7-177.5173.751.8-119.500109.9G88 I112 L115 V147 T148 G149G88-E110 WeakPolarHBondContact CA-OE2 3.32Å; G88-E110 PolarHBondContact N-OE2 3.2Å; E110-I112 PolarHBondContact OE1-N 3.17Å; E110-L115 HydrophobicContact CG-CB 3.6Å; E110-V147 PolarHBondContact N-O 2.65Å; E110-T148 CarbonylContact O-C 3.53Å; E110-T148 WeakPolarHBondContact O-CA 3.27Å; E110-G149 CarbonylContact C-O 3.46Å; E110-G149 PolarHBondContact O-N 3.44Å
111H97.3Very high98.4Very high29 Ų2931.4 Ų31.413%0.13417%0.173CC..SBendtrans-88.1-9.3-175.266.5-174.9000113.6G149 T225 Q230H111-G149 VanDerWaalsContact CA-O 3.27Å; H111-G149 WeakPolarHBondContact CA-O 3.42Å; H111-G149 WeakPolarHBondContact CB-O 3.14Å; H111-G149 PolarHBondContact N-O 2.93Å; H111-T225 PolarHBondContact CE1-O 3.1Å; H111-T225 PolarHBondContact ND1-O 3.03Å; H111-Q230 PolarHBondContact CE1-OE1 3.28Å; H111-Q230 VanDerWaalsContact CE1-OE1 3.26Å; H111-Q230 VanDerWaalsContact NE2-CD 3.31Å; H111-Q230 PolarHBondContact NE2-NE2 2.88Å; H111-Q230 PolarHBondContact NE2-OE1 2.85Å
112I97.8Very high98.5Very high1 Ų131.7 Ų31.71%0.00517%0.172CC..  trans-104.9111.5176.4-53.3-48.7000109.2Y55 E110 E114 L115 T116 K227 V231Y55-I112 HydrophobicContact CD1-CG2 3.96Å; Y55-I112 HydrophobicContact CD2-CG2 4.23Å; Y55-I112 HydrophobicContact CE1-CG2 4.46Å; Y55-I112 HydrophobicContact CG-CG2 3.84Å; E110-I112 PolarHBondContact OE1-N 3.17Å; I112-E114 HydrophobicContact CG2-CB 4.24Å; I112-E114 VanDerWaalsContact CG2-OE2 3.3Å; I112-E114 WeakPolarHBondContact CG2-OE2 3.37Å; I112-E114 PolarHBondContact O-N 3.19Å; I112-E114 VanDerWaalsContact O-N 3.08Å; I112-L115 HydrophobicContact CB-CB 4.06Å; I112-L115 HydrophobicContact CB-CD1 3.96Å; I112-L115 HydrophobicContact CB-CG 3.94Å; I112-L115 HydrophobicContact CG1-CD1 4Å; I112-L115 HydrophobicContact CG1-CG 4.48Å; I112-L115 HydrophobicContact CG2-CB 4.41Å; I112-L115 HydrophobicContact CG2-CD1 4.45Å; I112-L115 HydrophobicContact CG2-CG 4.05Å; I112-L115 WeakPolarHBondContact O-CA 3.28Å; I112-L115 PolarHBondContact O-N 2.99Å; I112-T116 PolarHBondContact O-N 3.18Å; I112-T116 PolarHBondContact O-OG1 3.08Å; I112-K227 HydrophobicContact CD1-CB 3.91Å; I112-K227 HydrophobicContact CD1-CD 4.36Å; I112-K227 HydrophobicContact CD1-CG 3.65Å; I112-V231 HydrophobicContact CD1-CG1 4Å
113D97.6Very high98.5Very high61 Ų6128.3 Ų28.333%0.32615%0.15SC..Hα-helixtrans-49.8-39.4-179.9-52-10.4000113.4T116 K117 T148 K227D113-T116 WeakPolarHBondContact O-CB 3.36Å; D113-T116 PolarHBondContact O-N 2.8Å; D113-K117 WeakPolarHBondContact O-CG 3.25Å; D113-K117 PolarHBondContact O-N 3.23Å; D113-T148 WeakPolarHBondContact OD1-CG2 3.47Å; D113-K227 IonicContact OD1-NZ 3.73Å; D113-K227 IonicContact OD2-NZ 3.25Å; D113-K227 PolarHBondContact OD2-NZ 2.93Å
114E98.1Very high98.5Very high52 Ų5228.3 Ų28.324%0.24314%0.143CC..Hα-helixtrans-71.2-31.4-179.5-6387.3174.800112.6Y55 I112 F118Y55-E114 HydrophobicContact CD2-CB 4.32Å; Y55-E114 HydrophobicContact CE1-CB 4.09Å; Y55-E114 HydrophobicContact CE1-CG 4.24Å; Y55-E114 HydrophobicContact CE2-CB 3.45Å; Y55-E114 VanDerWaalsContact CE2-CB 3.45Å; Y55-E114 HydrophobicContact CE2-CG 4.35Å; Y55-E114 VanDerWaalsContact OH-CB 3.24Å; Y55-E114 WeakPolarHBondContact OH-CB 3.5Å; Y55-E114 VanDerWaalsContact OH-CG 3.27Å; Y55-E114 WeakPolarHBondContact OH-CG 3.39Å; I112-E114 HydrophobicContact CG2-CB 4.24Å; I112-E114 VanDerWaalsContact CG2-OE2 3.3Å; I112-E114 WeakPolarHBondContact CG2-OE2 3.37Å; I112-E114 PolarHBondContact O-N 3.19Å; I112-E114 VanDerWaalsContact O-N 3.08Å; E114-F118 WeakPolarHBondContact O-CB 3.39Å; E114-F118 PolarHBondContact O-N 2.77Å
115L98.3Very high98.4Very high0 Ų031.1 Ų31.10%016%0.158CC..Hα-helixtrans-73.9-36.7170.9-67-178.9000111I53 Y55 A57 E110 I112 K117 F118 S119I53-L115 HydrophobicContact CB-CD2 4.39Å; I53-L115 HydrophobicContact CD1-CD1 4.41Å; I53-L115 HydrophobicContact CD1-CD2 3.97Å; I53-L115 HydrophobicContact CG1-CD2 3.94Å; Y55-L115 HydrophobicContact CD2-CD2 3.74Å; Y55-L115 HydrophobicContact CD2-CG 3.88Å; Y55-L115 HydrophobicContact CE2-CD2 4.48Å; Y55-L115 HydrophobicContact CG-CG 4.44Å; A57-L115 HydrophobicContact CB-CD1 3.53Å; E110-L115 HydrophobicContact CG-CB 3.6Å; I112-L115 HydrophobicContact CB-CB 4.06Å; I112-L115 HydrophobicContact CB-CD1 3.96Å; I112-L115 HydrophobicContact CB-CG 3.94Å; I112-L115 HydrophobicContact CG1-CD1 4Å; I112-L115 HydrophobicContact CG1-CG 4.48Å; I112-L115 HydrophobicContact CG2-CB 4.41Å; I112-L115 HydrophobicContact CG2-CD1 4.45Å; I112-L115 HydrophobicContact CG2-CG 4.05Å; I112-L115 WeakPolarHBondContact O-CA 3.28Å; I112-L115 PolarHBondContact O-N 2.99Å; L115-K117 PolarHBondContact O-N 2.94Å; L115-F118 WeakPolarHBondContact O-CB 3.48Å; L115-F118 PolarHBondContact O-N 3.35Å; L115-S119 WeakPolarHBondContact O-CB 3.46Å; L115-S119 PolarHBondContact O-N 3.3Å
116T98.7Very high98.4Very high7 Ų730.1 Ų30.14%0.04315%0.152CC..Hα-helixtrans-58.6-48.5170.6-51.80000110.9I112 D113 F118 S119 L120 T148I112-T116 PolarHBondContact O-N 3.18Å; I112-T116 PolarHBondContact O-OG1 3.08Å; D113-T116 WeakPolarHBondContact O-CB 3.36Å; D113-T116 PolarHBondContact O-N 2.8Å; T116-F118 VanDerWaalsContact C-N 3.33Å; T116-F118 PolarHBondContact O-N 2.83Å; T116-S119 PolarHBondContact O-N 2.66Å; T116-S119 VanDerWaalsContact O-N 3.17Å; T116-S119 PolarHBondContact O-OG 3.48Å; T116-L120 HydrophobicContact CG2-CD1 4.44Å; T116-L120 WeakPolarHBondContact O-CG 3.5Å; T116-L120 PolarHBondContact O-N 3.46Å; T116-T148 WeakPolarHBondContact CB-OG1 3.09Å; T116-T148 PolarHBondContact OG1-OG1 3.04Å
117K98.6Very high98.4Very high138 Ų13831.6 Ų31.660%0.616%0.158SC*.Hα-helixtrans-60.1-41.7175.5-70.5169.4-171.61690112.4D113 L115 L120 S121D113-K117 WeakPolarHBondContact O-CG 3.25Å; D113-K117 PolarHBondContact O-N 3.23Å; L115-K117 PolarHBondContact O-N 2.94Å; K117-L120 PolarHBondContact O-N 3.29Å; K117-S121 PolarHBondContact O-N 3.41Å; K117-S121 VanDerWaalsContact O-N 3.09Å
118F98.5Very high98.3Very high39 Ų3937.3 Ų37.317%0.17119%0.189CC..Hα-helixtrans-60.8-44.4174.9174.7-115.5000111.5K42 I53 E114 L115 T116 S121 N122K42-F118 HydrophobicContact CD-CZ 4.45Å; K42-F118 HydrophobicContact CG-CE2 4.21Å; K42-F118 HydrophobicContact CG-CZ 3.97Å; I53-F118 HydrophobicContact CB-CD1 4.4Å; I53-F118 HydrophobicContact CB-CE1 3.88Å; I53-F118 HydrophobicContact CG2-CE1 3.82Å; I53-F118 HydrophobicContact CG2-CZ 4.44Å; E114-F118 WeakPolarHBondContact O-CB 3.39Å; E114-F118 PolarHBondContact O-N 2.77Å; L115-F118 WeakPolarHBondContact O-CB 3.48Å; L115-F118 PolarHBondContact O-N 3.35Å; T116-F118 VanDerWaalsContact C-N 3.33Å; T116-F118 PolarHBondContact O-N 2.83Å; F118-S121 PolarHBondContact O-N 2.78Å; F118-N122 WeakPolarHBondContact CD1-ND2 3.45Å; F118-N122 WeakPolarHBondContact CE1-ND2 3.29Å; F118-N122 VanDerWaalsContact CE2-OD1 3.3Å; F118-N122 WeakPolarHBondContact CE2-OD1 3.46Å; F118-N122 WeakPolarHBondContact CZ-ND2 3.19Å; F118-N122 PolarHBondContact O-N 3.01Å; F118-N122 PolarHBondContact O-ND2 2.87Å; F118-N122 PolarHBondContact O-OD1 3.33Å
119S98.7Very high98.2Very high0 Ų042.7 Ų42.70%021%0.214CC..Hα-helixtrans-64-40.4178.273.50000113.1G88 S89 L115 T116 N122 V123 L146G88-S119 WeakPolarHBondContact O-CB 3.24Å; S89-S119 VanDerWaalsContact C-CB 3.46Å; S89-S119 VanDerWaalsContact O-CA 3.31Å; S89-S119 WeakPolarHBondContact O-CA 3.43Å; S89-S119 WeakPolarHBondContact O-CB 3.26Å; L115-S119 WeakPolarHBondContact O-CB 3.46Å; L115-S119 PolarHBondContact O-N 3.3Å; T116-S119 PolarHBondContact O-N 2.66Å; T116-S119 VanDerWaalsContact O-N 3.17Å; T116-S119 PolarHBondContact O-OG 3.48Å; S119-N122 PolarHBondContact O-N 3.09Å; S119-V123 WeakPolarHBondContact O-CG2 3.44Å; S119-V123 PolarHBondContact O-N 3.13Å; S119-L146 WeakPolarHBondContact OG-CD1 3.28Å
120L98.8Very high98.2Very high53 Ų5343.4 Ų43.428%0.27722%0.219SC..Hα-helixtrans-59-49.5174.3-71.4168.3000110.6T116 K117 N122 V123 E124 L140 L146T116-L120 HydrophobicContact CG2-CD1 4.44Å; T116-L120 WeakPolarHBondContact O-CG 3.5Å; T116-L120 PolarHBondContact O-N 3.46Å; K117-L120 PolarHBondContact O-N 3.29Å; L120-N122 PolarHBondContact O-N 3.46Å; L120-V123 PolarHBondContact O-N 2.79Å; L120-E124 WeakPolarHBondContact O-CG 3.33Å; L120-E124 PolarHBondContact O-N 3.3Å; L120-L140 HydrophobicContact CD2-CD1 3.84Å; L120-L140 HydrophobicContact CD2-CD2 4.06Å; L120-L140 HydrophobicContact CD2-CG 4.34Å; L120-L146 HydrophobicContact CD2-CB 3.87Å; L120-L146 HydrophobicContact CD2-CD1 4.04Å; L120-L146 HydrophobicContact CG-CB 4.31Å; L120-L146 HydrophobicContact CG-CD1 4.4Å
121S98.5Very high98Very high67 Ų6749.1 Ų49.147%0.46925%0.245SC..Hα-helixtrans-61.8-40.8178.5-176.30000112.8K117 F118 E124 N125K117-S121 PolarHBondContact O-N 3.41Å; K117-S121 VanDerWaalsContact O-N 3.09Å; F118-S121 PolarHBondContact O-N 2.78Å; S121-E124 PolarHBondContact O-N 2.74Å; S121-N125 VanDerWaalsContact O-CB 3.28Å; S121-N125 WeakPolarHBondContact O-CB 3.47Å; S121-N125 PolarHBondContact O-N 2.79Å
122N98.6Very high97.9Very high14 Ų1451.4 Ų51.48%0.07526%0.258CS..Hα-helixtrans-62.2-44.6176.2-66.9-22.9000111.7Y39 F40 S89 F118 S119 L120 N125 W126Y39-N122 VanDerWaalsContact O-CB 3.27Å; Y39-N122 WeakPolarHBondContact O-CB 3.34Å; Y39-N122 VanDerWaalsContact O-CG 3.28Å; Y39-N122 PolarHBondContact O-OD1 3.23Å; F40-N122 HydrophobicContact CD1-CB 3.79Å; F40-N122 HydrophobicContact CE1-CB 4.21Å; F40-N122 HydrophobicContact CG-CB 4.29Å; S89-N122 PolarHBondContact O-ND2 3.36Å; S89-N122 VanDerWaalsContact O-ND2 3.11Å; F118-N122 WeakPolarHBondContact CD1-ND2 3.45Å; F118-N122 WeakPolarHBondContact CE1-ND2 3.29Å; F118-N122 VanDerWaalsContact CE2-OD1 3.3Å; F118-N122 WeakPolarHBondContact CE2-OD1 3.46Å; F118-N122 WeakPolarHBondContact CZ-ND2 3.19Å; F118-N122 PolarHBondContact O-N 3.01Å; F118-N122 PolarHBondContact O-ND2 2.87Å; F118-N122 PolarHBondContact O-OD1 3.33Å; S119-N122 PolarHBondContact O-N 3.09Å; L120-N122 PolarHBondContact O-N 3.46Å; N122-N125 PolarHBondContact O-N 2.77Å; N122-W126 WeakPolarHBondContact O-CB 3.33Å; N122-W126 PolarHBondContact O-N 2.89Å
123V98.6Very high97.9Very high0 Ų051.3 Ų51.30%026%0.258CS..Hα-helixtrans-67.1-43.6179.7168.60000111.2F40 S119 L120 N125 W126 F127 L140 L144 L146F40-V123 HydrophobicContact CE1-CG2 3.7Å; F40-V123 HydrophobicContact CZ-CG2 4.28Å; S119-V123 WeakPolarHBondContact O-CG2 3.44Å; S119-V123 PolarHBondContact O-N 3.13Å; L120-V123 PolarHBondContact O-N 2.79Å; V123-N125 VanDerWaalsContact C-N 3.32Å; V123-N125 PolarHBondContact O-N 3.14Å; V123-W126 HydrophobicContact CG1-CE3 4.39Å; V123-W126 PolarHBondContact O-N 2.77Å; V123-F127 HydrophobicContact CG1-CD2 3.56Å; V123-F127 HydrophobicContact CG1-CE2 3.34Å; V123-F127 WeakPolarHBondContact O-CD2 3.42Å; V123-F127 PolarHBondContact O-N 2.75Å; V123-L140 HydrophobicContact CG1-CD1 4.06Å; V123-L140 HydrophobicContact CG1-CD2 4.49Å; V123-L144 HydrophobicContact CG1-CD1 3.92Å; V123-L144 HydrophobicContact CG1-CD2 3.92Å; V123-L144 HydrophobicContact CG2-CD1 4.4Å; V123-L144 HydrophobicContact CG2-CD2 4.27Å; V123-L146 HydrophobicContact CB-CD1 4.27Å; V123-L146 HydrophobicContact CG2-CD1 3.77Å
124E98.2Very high97.8Very high101 Ų10156 Ų5647%0.47227%0.271SS..Hα-helixtrans-57.6-46.1172.8-73.3175175.100111.4L120 S121 W126 F127 N128 L140L120-E124 WeakPolarHBondContact O-CG 3.33Å; L120-E124 PolarHBondContact O-N 3.3Å; S121-E124 PolarHBondContact O-N 2.74Å; E124-W126 VanDerWaalsContact C-N 3.33Å; E124-W126 PolarHBondContact O-N 3.36Å; E124-F127 PolarHBondContact O-N 2.96Å; E124-N128 WeakPolarHBondContact O-CB 3.33Å; E124-N128 PolarHBondContact O-N 3.24Å; E124-N128 PolarHBondContact O-ND2 2.73Å; E124-N128 VanDerWaalsContact O-ND2 3.17Å; E124-L140 HydrophobicContact CG-CD2 3.67Å
125N97.9Very high97.7Very high61 Ų6159.9 Ų59.933%0.32629%0.293SS..Hα-helixtrans-60.7-42.9177.2-168.419.4000111.7S121 N122 V123 N128 H129S121-N125 VanDerWaalsContact O-CB 3.28Å; S121-N125 WeakPolarHBondContact O-CB 3.47Å; S121-N125 PolarHBondContact O-N 2.79Å; N122-N125 PolarHBondContact O-N 2.77Å; V123-N125 VanDerWaalsContact C-N 3.32Å; V123-N125 PolarHBondContact O-N 3.14Å; N125-N128 PolarHBondContact O-N 3.4Å; N125-H129 PolarHBondContact O-N 3.07Å; N125-H129 PolarHBondContact O-ND1 3Å; N125-H129 PolarHBondContact OD1-CE1 3.17Å; N125-H129 PolarHBondContact OD1-ND1 3.15Å
126W98.2Very high97.6Very high0 Ų061.1 Ų61.10%030%0.302CS..Hα-helixtrans-62.9-45.1174.9170.162.1000112.4S34 V35 Y39 F40 A94 L98 N122 V123 E124 N128 H129 S130 A133 I138 L144S34-W126 PolarHBondContact O-NE1 2.68Å; V35-W126 HydrophobicContact CG2-CH2 4.34Å; V35-W126 HydrophobicContact CG2-CZ2 3.77Å; Y39-W126 HydrophobicContact CD2-CB 4.08Å; Y39-W126 AromaticContact CD2-CD1 3.78Å; Y39-W126 HydrophobicContact CD2-CG 4.34Å; Y39-W126 HydrophobicContact CG-CB 4.19Å; F40-W126 HydrophobicContact CE2-CB 3.89Å; F40-W126 HydrophobicContact CE2-CD2 4.41Å; F40-W126 AromaticContact CE2-CG 3.93Å; F40-W126 HydrophobicContact CE2-CG 3.93Å; F40-W126 HydrophobicContact CZ-CB 3.88Å; F40-W126 HydrophobicContact CZ-CD2 4.13Å; F40-W126 HydrophobicContact CZ-CE3 4.26Å; F40-W126 AromaticContact CZ-CG 3.98Å; F40-W126 HydrophobicContact CZ-CG 3.98Å; A94-W126 HydrophobicContact CB-CE3 4.23Å; A94-W126 HydrophobicContact CB-CH2 4.35Å; A94-W126 HydrophobicContact CB-CZ3 3.92Å; L98-W126 HydrophobicContact CD1-CH2 4.19Å; L98-W126 HydrophobicContact CD1-CZ2 3.92Å; L98-W126 HydrophobicContact CD2-CH2 3.92Å; L98-W126 HydrophobicContact CD2-CZ2 4.17Å; L98-W126 HydrophobicContact CG-CH2 3.86Å; L98-W126 HydrophobicContact CG-CZ2 4.1Å; N122-W126 WeakPolarHBondContact O-CB 3.33Å; N122-W126 PolarHBondContact O-N 2.89Å; V123-W126 HydrophobicContact CG1-CE3 4.39Å; V123-W126 PolarHBondContact O-N 2.77Å; E124-W126 VanDerWaalsContact C-N 3.33Å; E124-W126 PolarHBondContact O-N 3.36Å; W126-N128 VanDerWaalsContact C-N 3.29Å; W126-N128 PolarHBondContact O-N 3.16Å; W126-H129 PolarHBondContact O-N 3.05Å; W126-S130 PolarHBondContact NE1-OG 2.94Å; W126-S130 WeakPolarHBondContact O-CB 3.08Å; W126-S130 PolarHBondContact O-N 2.83Å; W126-A133 HydrophobicContact CD2-CB 3.93Å; W126-A133 HydrophobicContact CE3-CB 4.18Å; W126-A133 HydrophobicContact CH2-CB 3.83Å; W126-A133 HydrophobicContact CZ2-CB 3.52Å; W126-A133 HydrophobicContact CZ3-CB 4.14Å; W126-I138 HydrophobicContact CH2-CD1 4.11Å; W126-I138 HydrophobicContact CZ3-CD1 4.34Å; W126-L144 HydrophobicContact CZ3-CD1 4.24Å
127F98.1Very high97.6Very high31 Ų3162.9 Ų62.914%0.13632%0.321CS..Hα-helixtrans-59-40174.9-84.4-66.4000112.6V123 E124 H129 A133 R134 I138 L140V123-F127 HydrophobicContact CG1-CD2 3.56Å; V123-F127 HydrophobicContact CG1-CE2 3.34Å; V123-F127 WeakPolarHBondContact O-CD2 3.42Å; V123-F127 PolarHBondContact O-N 2.75Å; E124-F127 PolarHBondContact O-N 2.96Å; F127-H129 VanDerWaalsContact C-N 3.31Å; F127-H129 PolarHBondContact O-N 3.36Å; F127-A133 HydrophobicContact CD1-CB 3.7Å; F127-A133 HydrophobicContact CE1-CB 4.16Å; F127-A133 HydrophobicContact CG-CB 4.42Å; F127-R134 VanDerWaalsContact O-CG 3.31Å; F127-R134 WeakPolarHBondContact O-CG 3.4Å; F127-I138 HydrophobicContact CE1-CD1 4.39Å; F127-I138 HydrophobicContact CE1-CG1 3.8Å; F127-I138 WeakPolarHBondContact CE1-O 3.37Å; F127-I138 HydrophobicContact CZ-CD1 4.18Å; F127-I138 HydrophobicContact CZ-CG1 3.72Å; F127-L140 HydrophobicContact CE2-CB 4.02Å
128N97.5Very high97.6Very high119 Ų11956.7 Ų56.764%0.63629%0.294SS*.Hα-helixtrans-67.2-31-178.6-71.5-26.9000113E124 N125 W126E124-N128 WeakPolarHBondContact O-CB 3.33Å; E124-N128 PolarHBondContact O-N 3.24Å; E124-N128 PolarHBondContact O-ND2 2.73Å; E124-N128 VanDerWaalsContact O-ND2 3.17Å; N125-N128 PolarHBondContact O-N 3.4Å; W126-N128 VanDerWaalsContact C-N 3.29Å; W126-N128 PolarHBondContact O-N 3.16Å
129H97.5Very high97.5Very high114 Ų11459.2 Ų59.253%0.52831%0.307SS..Hα-helixtrans-110.3-21.6-172.6-61.992.1000114.4Y39 N125 W126 F127Y39-H129 HydrophobicContact CE1-CB 3.8Å; Y39-H129 HydrophobicContact CE2-CB 4.45Å; Y39-H129 WeakPolarHBondContact OH-CB 3.47Å; N125-H129 PolarHBondContact O-N 3.07Å; N125-H129 PolarHBondContact O-ND1 3Å; N125-H129 PolarHBondContact OD1-CE1 3.17Å; N125-H129 PolarHBondContact OD1-ND1 3.15Å; W126-H129 PolarHBondContact O-N 3.05Å; F127-H129 VanDerWaalsContact C-N 3.31Å; F127-H129 PolarHBondContact O-N 3.36Å
130S97Very high97.5Very high15 Ų1561.7 Ų61.711%0.10532%0.32CS..  trans-91.3120.7-178.9179.40000111.9S34 W126 N132 A133 R134S34-S130 PolarHBondContact O-OG 2.93Å; W126-S130 PolarHBondContact NE1-OG 2.94Å; W126-S130 WeakPolarHBondContact O-CB 3.08Å; W126-S130 PolarHBondContact O-N 2.83Å; S130-N132 VanDerWaalsContact C-N 3.32Å; S130-N132 PolarHBondContact OG-N 3.48Å; S130-A133 PolarHBondContact O-N 3.04Å; S130-A133 PolarHBondContact OG-N 3.48Å; S130-R134 PolarHBondContact O-N 3.14Å
131Q96.4Very high97.5Very high129 Ų12961.8 Ų61.860%0.60333%0.333SS*.Hα-helixtrans-63.8-39.2170.8-175175.870.600111.6A133 R134 L135Q131-A133 VanDerWaalsContact C-N 3.32Å; Q131-A133 PolarHBondContact O-N 3.44Å; Q131-R134 PolarHBondContact O-N 3.45Å; Q131-L135 HydrophobicContact CG-CD1 3.79Å; Q131-L135 HydrophobicContact CG-CG 4.22Å; Q131-L135 WeakPolarHBondContact O-CG 3.35Å; Q131-L135 PolarHBondContact O-N 3.42Å
132N95.2Very high97.5Very high77 Ų7763.7 Ų63.741%0.41233%0.333SS..Hα-helixtrans-62.2-40.1178.3-69.8-31.3000111.7S34 S130 L135 S136S34-N132 PolarHBondContact OG-ND2 3.1Å; S34-N132 VanDerWaalsContact OG-ND2 3.08Å; S130-N132 VanDerWaalsContact C-N 3.32Å; S130-N132 PolarHBondContact OG-N 3.48Å; N132-L135 PolarHBondContact O-N 3.2Å; N132-S136 WeakPolarHBondContact O-CB 3.44Å; N132-S136 PolarHBondContact O-N 3.38Å; N132-S136 VanDerWaalsContact O-N 3.11Å
133A95.9Very high97.5Very high0 Ų064.6 Ų64.60%034%0.337CS..Hα-helixtrans-61.1-49.3175.200000111W126 F127 S130 Q131 L135 S136W126-A133 HydrophobicContact CD2-CB 3.93Å; W126-A133 HydrophobicContact CE3-CB 4.18Å; W126-A133 HydrophobicContact CH2-CB 3.83Å; W126-A133 HydrophobicContact CZ2-CB 3.52Å; W126-A133 HydrophobicContact CZ3-CB 4.14Å; F127-A133 HydrophobicContact CD1-CB 3.7Å; F127-A133 HydrophobicContact CE1-CB 4.16Å; F127-A133 HydrophobicContact CG-CB 4.42Å; S130-A133 PolarHBondContact O-N 3.04Å; S130-A133 PolarHBondContact OG-N 3.48Å; Q131-A133 VanDerWaalsContact C-N 3.32Å; Q131-A133 PolarHBondContact O-N 3.44Å; A133-L135 VanDerWaalsContact C-N 3.33Å; A133-L135 PolarHBondContact O-N 3.21Å; A133-S136 WeakPolarHBondContact O-CB 3.22Å; A133-S136 PolarHBondContact O-N 3.25Å; A133-S136 PolarHBondContact O-OG 2.97Å
134R95.4Very high97.5Very high159 Ų15964.6 Ų64.660%0.634%0.337SS*.Hα-helixtrans-62.4-36-180-69.5-175.1-70.4159-5113.8F127 S130 Q131F127-R134 VanDerWaalsContact O-CG 3.31Å; F127-R134 WeakPolarHBondContact O-CG 3.4Å; S130-R134 PolarHBondContact O-N 3.14Å; Q131-R134 PolarHBondContact O-N 3.45Å
135L97.1Very high97.5Very high133 Ų13362.3 Ų62.370%0.69633%0.325SS*.Hα-helixtrans-84.8-10.1-179.5-65.4179.6000113.7Q131 N132 A133 G137Q131-L135 HydrophobicContact CG-CD1 3.79Å; Q131-L135 HydrophobicContact CG-CG 4.22Å; Q131-L135 WeakPolarHBondContact O-CG 3.35Å; Q131-L135 PolarHBondContact O-N 3.42Å; N132-L135 PolarHBondContact O-N 3.2Å; A133-L135 VanDerWaalsContact C-N 3.33Å; A133-L135 PolarHBondContact O-N 3.21Å; L135-G137 VanDerWaalsContact C-N 3.28Å; L135-G137 PolarHBondContact O-N 3.25Å
136S97Very high97.5Very high27 Ų2760.1 Ų60.119%0.18931%0.314CS..SBendtrans-72.8-19-176.6690000114.3N132 A133 I138N132-S136 WeakPolarHBondContact O-CB 3.44Å; N132-S136 PolarHBondContact O-N 3.38Å; N132-S136 VanDerWaalsContact O-N 3.11Å; A133-S136 WeakPolarHBondContact O-CB 3.22Å; A133-S136 PolarHBondContact O-N 3.25Å; A133-S136 PolarHBondContact O-OG 2.97Å; S136-I138 PolarHBondContact O-N 2.94Å; S136-I138 VanDerWaalsContact OG-CG1 3.25Å; S136-I138 WeakPolarHBondContact OG-CG1 3.46Å; S136-I138 PolarHBondContact OG-N 2.95Å
137G97.2Very high97.6Very high44 Ų4461.4 Ų61.445%0.45432%0.321SS..  trans72.47.7-175.900000114.7L135L135-G137 VanDerWaalsContact C-N 3.28Å; L135-G137 PolarHBondContact O-N 3.25Å
138I98.4Very high97.6Very high7 Ų762.8 Ų62.84%0.03633%0.332CS..  trans-87.2148.217279-170.8000109.9A97 L98 W126 F127 S136 Q143A97-I138 HydrophobicContact CB-CD1 3.87Å; L98-I138 HydrophobicContact CD2-CD1 3.94Å; L98-I138 HydrophobicContact CG-CD1 4.41Å; W126-I138 HydrophobicContact CH2-CD1 4.11Å; W126-I138 HydrophobicContact CZ3-CD1 4.34Å; F127-I138 HydrophobicContact CE1-CD1 4.39Å; F127-I138 HydrophobicContact CE1-CG1 3.8Å; F127-I138 WeakPolarHBondContact CE1-O 3.37Å; F127-I138 HydrophobicContact CZ-CD1 4.18Å; F127-I138 HydrophobicContact CZ-CG1 3.72Å; S136-I138 PolarHBondContact O-N 2.94Å; S136-I138 VanDerWaalsContact OG-CG1 3.25Å; S136-I138 WeakPolarHBondContact OG-CG1 3.46Å; S136-I138 PolarHBondContact OG-N 2.95Å; I138-Q143 HydrophobicContact CB-CB 4.01Å; I138-Q143 HydrophobicContact CG2-CB 4.21Å
139E98.2Very high97.6Very high93 Ų9358 Ų5844%0.43531%0.312SS..  trans-127.9144.3176.3-63.8173.9-111.900111.2G141 K142 Q143 L144E139-G141 PolarHBondContact O-N 3.24Å; E139-K142 HydrophobicContact CB-CB 4.22Å; E139-K142 HydrophobicContact CB-CD 4.07Å; E139-K142 HydrophobicContact CB-CG 4.32Å; E139-K142 HydrophobicContact CG-CD 4.48Å; E139-K142 PolarHBondContact O-N 3.36Å; E139-K142 VanDerWaalsContact O-N 3.14Å; E139-K142 IonicContact OE1-NZ 3.97Å; E139-K142 PolarHBondContact OE1-NZ 3Å; E139-K142 WeakPolarHBondContact OE2-CE 3.41Å; E139-K142 IonicContact OE2-NZ 2.86Å; E139-K142 PolarHBondContact OE2-NZ 3.39Å; E139-Q143 PolarHBondContact O-N 2.76Å; E139-L144 PolarHBondContact O-N 3.01Å
140L98.3Very high97.6Very high52 Ų5254.9 Ų54.927%0.27230%0.299SS..BIsolated β-bridgetrans-62.2131.5169.8-179.561.3000109.9L120 V123 E124 F127 K142 L144 L146L120-L140 HydrophobicContact CD2-CD1 3.84Å; L120-L140 HydrophobicContact CD2-CD2 4.06Å; L120-L140 HydrophobicContact CD2-CG 4.34Å; V123-L140 HydrophobicContact CG1-CD1 4.06Å; V123-L140 HydrophobicContact CG1-CD2 4.49Å; E124-L140 HydrophobicContact CG-CD2 3.67Å; F127-L140 HydrophobicContact CE2-CB 4.02Å; L140-K142 VanDerWaalsContact C-N 3.31Å; L140-L144 CarbonylContact C-O 3.52Å; L140-L144 WeakPolarHBondContact CA-O 3.39Å; L140-L144 HydrophobicContact CD1-CD2 3.58Å; L140-L146 HydrophobicContact CD1-CD1 4.28Å
141G97.9Very high97.7Very high54 Ų5454.5 Ų54.556%0.55730%0.297SS*.THydrogen-bonded Turntrans85.9-7.9-175.200000114.7E139 L144E139-G141 PolarHBondContact O-N 3.24Å; G141-L144 PolarHBondContact N-O 3.04Å
142K98.1Very high97.7Very high107 Ų10752 Ų5247%0.46528%0.282SS..THydrogen-bonded Turntrans-112.3-91.7175.2-62.5-177.1-172.4163.30110.6E139 L140 K145E139-K142 HydrophobicContact CB-CB 4.22Å; E139-K142 HydrophobicContact CB-CD 4.07Å; E139-K142 HydrophobicContact CB-CG 4.32Å; E139-K142 HydrophobicContact CG-CD 4.48Å; E139-K142 PolarHBondContact O-N 3.36Å; E139-K142 VanDerWaalsContact O-N 3.14Å; E139-K142 IonicContact OE1-NZ 3.97Å; E139-K142 PolarHBondContact OE1-NZ 3Å; E139-K142 WeakPolarHBondContact OE2-CE 3.41Å; E139-K142 IonicContact OE2-NZ 2.86Å; E139-K142 PolarHBondContact OE2-NZ 3.39Å; L140-K142 VanDerWaalsContact C-N 3.31Å; K142-K145 WeakPolarHBondContact O-CE 3.19Å; K142-K145 WeakPolarHBondContact O-CG 3.4Å
143Q98.7Very high97.9Very high34 Ų3454 Ų5416%0.15929%0.289CS..THydrogen-bonded Turntrans-77.3-25179.6-65.781.28.300112.5P102 G104 V105 A106 I138 E139P102-Q143 WeakPolarHBondContact O-CG 3.39Å; P102-Q143 PolarHBondContact O-NE2 2.58Å; G104-Q143 WeakPolarHBondContact O-CB 3.33Å; G104-Q143 WeakPolarHBondContact O-CG 3.39Å; V105-Q143 CarbonylContact C-O 3.55Å; V105-Q143 WeakPolarHBondContact CA-O 3.13Å; A106-Q143 PolarHBondContact N-O 2.96Å; I138-Q143 HydrophobicContact CB-CB 4.01Å; I138-Q143 HydrophobicContact CG2-CB 4.21Å; E139-Q143 PolarHBondContact O-N 2.76Å
144L98.8Very high98Very high0 Ų054.1 Ų54.10%029%0.291CS..EExtended strand (participates in β ladder)trans-113.4109.2171.1-171.6163.6000108A94 A97 V123 W126 E139 L140 G141 L146A94-L144 HydrophobicContact CB-CD1 3.95Å; A97-L144 HydrophobicContact CB-CB 3.83Å; A97-L144 HydrophobicContact CB-CD1 3.8Å; A97-L144 HydrophobicContact CB-CG 3.92Å; V123-L144 HydrophobicContact CG1-CD1 3.92Å; V123-L144 HydrophobicContact CG1-CD2 3.92Å; V123-L144 HydrophobicContact CG2-CD1 4.4Å; V123-L144 HydrophobicContact CG2-CD2 4.27Å; W126-L144 HydrophobicContact CZ3-CD1 4.24Å; E139-L144 PolarHBondContact O-N 3.01Å; L140-L144 CarbonylContact C-O 3.52Å; L140-L144 WeakPolarHBondContact CA-O 3.39Å; L140-L144 HydrophobicContact CD1-CD2 3.58Å; G141-L144 PolarHBondContact N-O 3.04Å; L144-L146 HydrophobicContact CD2-CD1 3.96Å; L144-L146 HydrophobicContact CD2-CG 3.91Å
145K98.9Very high98.2Very high52 Ų5249.5 Ų49.523%0.22627%0.273CS..EExtended strand (participates in β ladder)trans-112.3136177.7-54.9-174.9-174.61780109.6V105 A106 V107 G108 K142 D158V105-K145 HydrophobicContact CG1-CD 4.16Å; V105-K145 HydrophobicContact CG1-CG 4.37Å; A106-K145 PolarHBondContact O-N 3Å; V107-K145 CarbonylContact C-O 3.56Å; V107-K145 WeakPolarHBondContact CA-O 3.5Å; V107-K145 HydrophobicContact CG1-CB 4.34Å; V107-K145 HydrophobicContact CG2-CB 4.25Å; V107-K145 HydrophobicContact CG2-CD 4.26Å; G108-K145 PolarHBondContact N-O 3.32Å; K142-K145 WeakPolarHBondContact O-CE 3.19Å; K142-K145 WeakPolarHBondContact O-CG 3.4Å; K145-D158 IonicContact NZ-OD1 2.66Å; K145-D158 PolarHBondContact NZ-OD1 2.96Å; K145-D158 IonicContact NZ-OD2 3.2Å; K145-D158 PolarHBondContact NZ-OD2 2.86Å
146L98.9Very high98.2Very high16 Ų1647.3 Ų47.38%0.08427%0.267CS..EExtended strand (participates in β ladder)trans-124.4117.4173.1-69.4163.9000107.2T93 G108 S119 L120 V123 L140 L144T93-L146 HydrophobicContact CG2-CD2 4.14Å; G108-L146 WeakPolarHBondContact O-CA 3.49Å; S119-L146 WeakPolarHBondContact OG-CD1 3.28Å; L120-L146 HydrophobicContact CD2-CB 3.87Å; L120-L146 HydrophobicContact CD2-CD1 4.04Å; L120-L146 HydrophobicContact CG-CB 4.31Å; L120-L146 HydrophobicContact CG-CD1 4.4Å; V123-L146 HydrophobicContact CB-CD1 4.27Å; V123-L146 HydrophobicContact CG2-CD1 3.77Å; L140-L146 HydrophobicContact CD1-CD1 4.28Å; L144-L146 HydrophobicContact CD2-CD1 3.96Å; L144-L146 HydrophobicContact CD2-CG 3.91Å
147V98.7Very high98.3Very high26 Ų2650.4 Ų50.416%0.15829%0.289CS..EExtended strand (participates in β ladder)trans-127.2149.2-171.1-60.40000110.9V107 G108 I109 E110 W155V107-V147 HydrophobicContact CG1-CG2 3.88Å; G108-V147 WeakPolarHBondContact O-CG2 3.48Å; G108-V147 PolarHBondContact O-N 2.97Å; I109-V147 WeakPolarHBondContact CA-O 3.12Å; I109-V147 HydrophobicContact CB-CG2 4Å; I109-V147 HydrophobicContact CG1-CG2 4.14Å; E110-V147 PolarHBondContact N-O 2.65Å; V147-W155 HydrophobicContact CB-CH2 4.17Å; V147-W155 HydrophobicContact CB-CZ2 4.25Å; V147-W155 HydrophobicContact CB-CZ3 4.38Å; V147-W155 HydrophobicContact CG1-CH2 4.32Å; V147-W155 HydrophobicContact CG1-CZ2 3.95Å; V147-W155 HydrophobicContact CG2-CD2 3.88Å; V147-W155 HydrophobicContact CG2-CE3 3.91Å; V147-W155 HydrophobicContact CG2-CG 4.44Å; V147-W155 HydrophobicContact CG2-CH2 4.27Å; V147-W155 HydrophobicContact CG2-CZ2 4.26Å; V147-W155 HydrophobicContact CG2-CZ3 4.1Å
148T98.5Very high98.3Very high60 Ų6049.6 Ų49.637%0.36827%0.274SS..EExtended strand (participates in β ladder)trans-89.2129.6169.7-59.60000109.9E110 D113 T116E110-T148 CarbonylContact O-C 3.53Å; E110-T148 WeakPolarHBondContact O-CA 3.27Å; D113-T148 WeakPolarHBondContact OD1-CG2 3.47Å; T116-T148 WeakPolarHBondContact CB-OG1 3.09Å; T116-T148 PolarHBondContact OG1-OG1 3.04Å
149G98Very high98.3Very high20 Ų2050.8 Ų50.821%0.20629%0.285CS..SBendtrans179.7172.4170.800000113.1E110 H111 G151E110-G149 CarbonylContact C-O 3.46Å; E110-G149 PolarHBondContact O-N 3.44Å; H111-G149 VanDerWaalsContact CA-O 3.27Å; H111-G149 WeakPolarHBondContact CA-O 3.42Å; H111-G149 WeakPolarHBondContact CB-O 3.14Å; H111-G149 PolarHBondContact N-O 2.93Å; G149-G151 PolarHBondContact O-N 2.66Å
150D97.8Very high98.3Very high48 Ų4849.7 Ų49.726%0.25729%0.286SS..  trans-74.1107.5174.3-172.1-14.8000110.4R152 E153D150-R152 PolarHBondContact O-N 2.86Å; D150-R152 VanDerWaalsContact O-N 3.08Å; D150-R152 VanDerWaalsContact OD1-CB 3.26Å; D150-R152 WeakPolarHBondContact OD1-CB 3.49Å; D150-R152 WeakPolarHBondContact OD1-CG 3.42Å; D150-R152 IonicContact OD1-CZ 2.74Å; D150-R152 PolarHBondContact OD1-N 3.19Å; D150-R152 IonicContact OD1-NE 2.75Å; D150-R152 PolarHBondContact OD1-NE 3.2Å; D150-R152 IonicContact OD1-NH2 3.17Å; D150-R152 IonicContact OD2-CZ 3.3Å; D150-R152 VanDerWaalsContact OD2-CZ 3.25Å; D150-R152 IonicContact OD2-NE 2.77Å; D150-R152 PolarHBondContact OD2-NE 3.42Å; D150-R152 IonicContact OD2-NH2 2.68Å; D150-R152 PolarHBondContact OD2-NH2 3.08Å; D150-E153 HydrophobicContact CB-CG 4.28Å; D150-E153 PolarHBondContact O-N 3.04Å
151G98Very high98.3Very high7 Ų747.2 Ų47.27%0.07227%0.273CS..G310 helixtrans-57.3-21.9178.600000115.2V85 G149 E153 G154V85-G151 WeakPolarHBondContact CG1-O 3.31Å; G149-G151 PolarHBondContact O-N 2.66Å; G151-E153 VanDerWaalsContact C-N 3.25Å; G151-E153 PolarHBondContact O-N 2.85Å; G151-G154 PolarHBondContact O-N 3.16Å
152R98Very high98.4Very high76 Ų7646.7 Ų46.729%0.28726%0.257SS..G310 helixtrans-67.7-29.3177-60.5173.3-63.1-172.610.3112D150 G154 P174 L224 D226D150-R152 PolarHBondContact O-N 2.86Å; D150-R152 VanDerWaalsContact O-N 3.08Å; D150-R152 VanDerWaalsContact OD1-CB 3.26Å; D150-R152 WeakPolarHBondContact OD1-CB 3.49Å; D150-R152 WeakPolarHBondContact OD1-CG 3.42Å; D150-R152 IonicContact OD1-CZ 2.74Å; D150-R152 PolarHBondContact OD1-N 3.19Å; D150-R152 IonicContact OD1-NE 2.75Å; D150-R152 PolarHBondContact OD1-NE 3.2Å; D150-R152 IonicContact OD1-NH2 3.17Å; D150-R152 IonicContact OD2-CZ 3.3Å; D150-R152 VanDerWaalsContact OD2-CZ 3.25Å; D150-R152 IonicContact OD2-NE 2.77Å; D150-R152 PolarHBondContact OD2-NE 3.42Å; D150-R152 IonicContact OD2-NH2 2.68Å; D150-R152 PolarHBondContact OD2-NH2 3.08Å; R152-G154 VanDerWaalsContact C-N 3.3Å; R152-P174 HydrophobicContact CB-CG 4.35Å; R152-P174 WeakPolarHBondContact O-CB 3.27Å; R152-L224 HydrophobicContact CG-CD1 4.38Å; R152-L224 HydrophobicContact CG-CD2 3.98Å; R152-L224 HydrophobicContact CG-CG 3.86Å; R152-D226 IonicContact CZ-OD2 2.66Å; R152-D226 IonicContact NH1-OD2 3.65Å; R152-D226 PolarHBondContact NH1-OD2 3.04Å; R152-D226 IonicContact NH2-OD2 3.77Å
153E98.2Very high98.4Very high119 Ų11941.6 Ų41.656%0.55624%0.235SC*.G310 helixtrans-86.4-2.1177-57.7-55.2129.400112.5D150 G151 Q180D150-E153 HydrophobicContact CB-CG 4.28Å; D150-E153 PolarHBondContact O-N 3.04Å; G151-E153 VanDerWaalsContact C-N 3.25Å; G151-E153 PolarHBondContact O-N 2.85Å; E153-Q180 PolarHBondContact O-NE2 3.49Å
154G98.3Very high98.4Very high3 Ų340 Ų403%0.03123%0.227CC..  trans61.4-150-172.900000112.3I109 G151 R152 L177I109-G154 WeakPolarHBondContact CD1-O 3.47Å; G151-G154 PolarHBondContact O-N 3.16Å; R152-G154 VanDerWaalsContact C-N 3.3Å; G154-L177 VanDerWaalsContact CA-CD2 3.49Å
155W98.5Very high98.4Very high62 Ų6240.2 Ų40.224%0.23523%0.229CC..  trans-138.985.8176.5-174.4-106.3000110.9L83 V107 I109 V147 S157 D158 Y161L83-W155 HydrophobicContact CD1-CB 3.92Å; V107-W155 HydrophobicContact CG1-CG 4.1Å; I109-W155 HydrophobicContact CD1-CB 4.43Å; I109-W155 HydrophobicContact CD1-CE3 4.05Å; V147-W155 HydrophobicContact CB-CH2 4.17Å; V147-W155 HydrophobicContact CB-CZ2 4.25Å; V147-W155 HydrophobicContact CB-CZ3 4.38Å; V147-W155 HydrophobicContact CG1-CH2 4.32Å; V147-W155 HydrophobicContact CG1-CZ2 3.95Å; V147-W155 HydrophobicContact CG2-CD2 3.88Å; V147-W155 HydrophobicContact CG2-CE3 3.91Å; V147-W155 HydrophobicContact CG2-CG 4.44Å; V147-W155 HydrophobicContact CG2-CH2 4.27Å; V147-W155 HydrophobicContact CG2-CZ2 4.26Å; V147-W155 HydrophobicContact CG2-CZ3 4.1Å; W155-S157 PolarHBondContact O-N 3.45Å; W155-S157 VanDerWaalsContact O-N 3.08Å; W155-D158 PolarHBondContact NE1-OD2 3.11Å; W155-D158 PolarHBondContact O-N 2.85Å; W155-Y161 WeakPolarHBondContact CB-OH 3.34Å; W155-Y161 PolarHBondContact O-OH 2.78Å
156P98.3Very high98.4Very high86 Ų8637.8 Ų37.856%0.55822%0.218SC*.G310 helixtrans-58.7-26.6-174.4-27.435.3000115D158 A159P156-D158 VanDerWaalsContact C-N 3.26Å; P156-D158 PolarHBondContact O-N 3.46Å; P156-A159 WeakPolarHBondContact O-CB 3.33Å; P156-A159 PolarHBondContact O-N 2.86Å
157S97.9Very high98.4Very high93 Ų9337.6 Ų37.665%0.6522%0.22SC*.G310 helixtrans-64.9-23.7-173.2-52.10000114.7W155W155-S157 PolarHBondContact O-N 3.45Å; W155-S157 VanDerWaalsContact O-N 3.08Å
158D97.7Very high98.3Very high26 Ų2636.7 Ų36.714%0.13922%0.215CC..G310 helixtrans-119.75.7177.5-70.6-76.3000112.9H81 V107 K145 W155 P156 Y161H81-D158 PolarHBondContact ND1-O 3.45Å; V107-D158 HydrophobicContact CG2-CB 3.86Å; K145-D158 IonicContact NZ-OD1 2.66Å; K145-D158 PolarHBondContact NZ-OD1 2.96Å; K145-D158 IonicContact NZ-OD2 3.2Å; K145-D158 PolarHBondContact NZ-OD2 2.86Å; W155-D158 PolarHBondContact NE1-OD2 3.11Å; W155-D158 PolarHBondContact O-N 2.85Å; P156-D158 VanDerWaalsContact C-N 3.26Å; P156-D158 PolarHBondContact O-N 3.46Å; D158-Y161 HydrophobicContact CB-CE1 4.25Å
159A98.2Very high98.2Very high32 Ų3234 Ų3426%0.26420%0.199SC..  trans-68.6157.817400000111.1P156 Y161 Q180P156-A159 WeakPolarHBondContact O-CB 3.33Å; P156-A159 PolarHBondContact O-N 2.86Å; A159-Y161 HydrophobicContact CB-CD2 4.22Å; A159-Y161 HydrophobicContact CB-CE2 3.85Å; A159-Q180 HydrophobicContact CB-CB 4.05Å; A159-Q180 HydrophobicContact CB-CG 3.93Å
160P98.6Very high98.1Very high70 Ų7033 Ų3346%0.45519%0.189SC..SBendcis-83.2159.80.335.7-37.1000113.3Q180 K182P160-Q180 CarbonylContact C-O 3.56Å; P160-Q180 WeakPolarHBondContact CA-O 3.38Å; P160-Q180 WeakPolarHBondContact CB-O 3.35Å; P160-K182 HydrophobicContact CB-CG 3.58Å; P160-K182 HydrophobicContact CG-CD 4.4Å; P160-K182 HydrophobicContact CG-CG 3.66Å; P160-K182 WeakPolarHBondContact O-CE 3.33Å
161Y98.9Very high98Very high1 Ų135 Ų350%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-108.2137.8-174.1-62.4-71.3000113.5H81 L83 V107 W155 D158 A159 I164 Q180 K182H81-Y161 HydrophobicContact CB-CD1 4.18Å; H81-Y161 CarbonylContact O-C 3.56Å; H81-Y161 WeakPolarHBondContact O-CA 3.26Å; L83-Y161 HydrophobicContact CB-CD1 3.94Å; L83-Y161 HydrophobicContact CB-CD2 3.97Å; L83-Y161 HydrophobicContact CB-CE1 3.9Å; L83-Y161 HydrophobicContact CB-CE2 3.94Å; L83-Y161 HydrophobicContact CB-CG 3.96Å; L83-Y161 HydrophobicContact CD1-CE2 4.5Å; L83-Y161 HydrophobicContact CD2-CD2 4.2Å; L83-Y161 HydrophobicContact CD2-CE2 3.83Å; L83-Y161 HydrophobicContact CG-CE2 4.31Å; V107-Y161 HydrophobicContact CG2-CE1 4.45Å; W155-Y161 WeakPolarHBondContact CB-OH 3.34Å; W155-Y161 PolarHBondContact O-OH 2.78Å; D158-Y161 HydrophobicContact CB-CE1 4.25Å; A159-Y161 HydrophobicContact CB-CD2 4.22Å; A159-Y161 HydrophobicContact CB-CE2 3.85Å; Y161-I164 HydrophobicContact CD2-CD1 4.13Å; Y161-I164 HydrophobicContact CD2-CG1 4.23Å; Y161-I164 HydrophobicContact CG-CG1 4.23Å; Y161-Q180 HydrophobicContact CD2-CB 4.04Å; Y161-Q180 HydrophobicContact CE2-CB 4.35Å; Y161-Q180 PolarHBondContact N-O 3.43Å; Y161-K182 WeakPolarHBondContact O-CB 3.37Å; Y161-K182 PolarHBondContact O-N 3.34Å
162D98.9Very high97.8Very high42 Ų4239.8 Ų39.823%0.22523%0.232CC..EExtended strand (participates in β ladder)trans-72.2-33169.4-58.1-80000111.5H75 A80 H81 K182 G185 R186H75-D162 PolarHBondContact CD2-O 3.11Å; A80-D162 WeakPolarHBondContact CA-OD2 3.42Å; A80-D162 HydrophobicContact CB-CB 4.01Å; H81-D162 PolarHBondContact N-OD2 2.87Å; H81-D162 PolarHBondContact O-N 3.5Å; D162-K182 VanDerWaalsContact CG-NZ 3.3Å; D162-K182 VanDerWaalsContact OD1-CD 3.24Å; D162-K182 WeakPolarHBondContact OD1-CD 3.36Å; D162-K182 IonicContact OD1-NZ 3.93Å; D162-K182 PolarHBondContact OD1-NZ 3.45Å; D162-K182 IonicContact OD2-NZ 2.73Å; D162-K182 PolarHBondContact OD2-NZ 3.04Å; D162-G185 CarbonylContact O-C 3.58Å; D162-G185 WeakPolarHBondContact O-CA 3.2Å; D162-R186 PolarHBondContact O-N 2.95Å
163A98.9Very high97.7Very high0 Ų036.3 Ų36.30%022%0.219CC..EExtended strand (participates in β ladder)trans-141.3139.8177.200000112.4L72 H75 L76 V82 L83 R186L72-A163 HydrophobicContact CD2-CB 3.86Å; H75-A163 HydrophobicContact CB-CB 3.86Å; L76-A163 HydrophobicContact CD2-CB 4.01Å; V82-A163 CarbonylContact C-O 3.48Å; V82-A163 WeakPolarHBondContact CA-O 3.27Å; V82-A163 HydrophobicContact CB-CB 4.31Å; V82-A163 HydrophobicContact CG1-CB 3.83Å; L83-A163 PolarHBondContact N-O 3.23Å; A163-R186 CarbonylContact C-O 3.59Å; A163-R186 VanDerWaalsContact CA-O 3.24Å; A163-R186 WeakPolarHBondContact CA-O 3.35Å
164I98.9Very high97.6Very high0 Ų032 Ų320%020%0.201CC..EExtended strand (participates in β ladder)trans-127.1125.2173-58.7177.7000108.5L83 V85 Y161 V166 L177 L181 R186 L187 I188L83-I164 HydrophobicContact CB-CG1 4.15Å; L83-I164 HydrophobicContact CB-CG2 4.36Å; L83-I164 HydrophobicContact CD2-CG2 4.26Å; L83-I164 CarbonylContact O-C 3.6Å; L83-I164 WeakPolarHBondContact O-CA 3.44Å; V85-I164 HydrophobicContact CG2-CG2 4.37Å; Y161-I164 HydrophobicContact CD2-CD1 4.13Å; Y161-I164 HydrophobicContact CD2-CG1 4.23Å; Y161-I164 HydrophobicContact CG-CG1 4.23Å; I164-V166 HydrophobicContact CG2-CG2 4.35Å; I164-L177 WeakPolarHBondContact CD1-O 3.41Å; I164-L181 HydrophobicContact CB-CD1 4.39Å; I164-L181 HydrophobicContact CD1-CB 4.21Å; I164-L181 HydrophobicContact CD1-CD1 3.87Å; I164-L181 HydrophobicContact CG1-CD1 3.8Å; I164-R186 PolarHBondContact N-O 3.41Å; I164-L187 HydrophobicContact CB-CB 4.21Å; I164-L187 HydrophobicContact CB-CD1 4.21Å; I164-L187 HydrophobicContact CB-CG 4.06Å; I164-L187 HydrophobicContact CD1-CD1 4.44Å; I164-L187 HydrophobicContact CG2-CD1 4.07Å; I164-L187 HydrophobicContact CG2-CG 4.13Å; I164-L187 CarbonylContact O-C 3.49Å; I164-L187 VanDerWaalsContact O-CA 3.25Å; I164-L187 WeakPolarHBondContact O-CA 3.33Å; I164-I188 PolarHBondContact O-N 3.03Å
165H98.9Very high97.6Very high6 Ų636.5 Ų36.53%0.02823%0.225CC..EExtended strand (participates in β ladder)trans-105.1139.5167.9171.8-99.2000109.5L72 L83 D84 V85 L92 G167L72-H165 HydrophobicContact CD1-CB 3.89Å; L83-H165 PolarHBondContact O-N 3.31Å; D84-H165 IonicContact OD1-CE1 2.86Å; D84-H165 IonicContact OD1-CG 3.19Å; D84-H165 IonicContact OD1-ND1 3.91Å; D84-H165 PolarHBondContact OD1-ND1 3.48Å; V85-H165 PolarHBondContact N-O 3.02Å; L92-H165 HydrophobicContact CD2-CB 4.39Å; L92-H165 WeakPolarHBondContact CD2-CE1 3.42Å; L92-H165 WeakPolarHBondContact CD2-ND1 3.47Å; H165-G167 VanDerWaalsContact CE1-CA 3.44Å; H165-G167 WeakPolarHBondContact CE1-CA 3.42Å; H165-G167 PolarHBondContact CE1-N 3.15Å
166V98.7Very high97.6Very high0 Ų034.5 Ų34.50%022%0.221CC..EExtended strand (participates in β ladder)trans-117.9112.5170.6-170.30000109.4V85 I164 A168 L177 I188 C189 P190 L224V85-V166 HydrophobicContact CB-CB 4.39Å; V85-V166 HydrophobicContact CB-CG1 4.17Å; V85-V166 HydrophobicContact CB-CG2 4.24Å; V85-V166 HydrophobicContact CG1-CG1 4.09Å; V85-V166 HydrophobicContact CG2-CG2 4.44Å; I164-V166 HydrophobicContact CG2-CG2 4.35Å; V166-A168 WeakPolarHBondContact CG1-O 3.39Å; V166-A168 PolarHBondContact O-N 3.14Å; V166-L177 HydrophobicContact CG2-CD1 3.77Å; V166-I188 PolarHBondContact N-O 2.93Å; V166-C189 HydrophobicContact CB-CB 3.8Å; V166-C189 HydrophobicContact CG2-CB 3.79Å; V166-P190 WeakPolarHBondContact O-CD 3.47Å; V166-L224 HydrophobicContact CG1-CD1 4.3Å; V166-L224 HydrophobicContact CG1-CD2 4.24Å
167G97.8Very high97.6Very high12 Ų1230.4 Ų30.412%0.12420%0.195CC..SBendtrans-82.215-179.300000115V85 H165 Y221V85-G167 PolarHBondContact O-N 3.26Å; H165-G167 VanDerWaalsContact CE1-CA 3.44Å; H165-G167 WeakPolarHBondContact CE1-CA 3.42Å; H165-G167 PolarHBondContact CE1-N 3.15Å; G167-Y221 WeakPolarHBondContact O-CD1 3.41Å
168A96.8Very high97.6Very high8 Ų828 Ų287%0.06617%0.173CC..SBendtrans-146.2154.2-179.900000110.7V166 V222 L224V166-A168 WeakPolarHBondContact CG1-O 3.39Å; V166-A168 PolarHBondContact O-N 3.14Å; A168-V222 CarbonylContact C-O 3.42Å; A168-V222 WeakPolarHBondContact CA-O 3.47Å; A168-V222 HydrophobicContact CB-CG2 4.46Å; A168-L224 HydrophobicContact CB-CB 3.9Å; A168-L224 HydrophobicContact CB-CD1 4.1Å
169A96.8Very high97.6Very high2 Ų233.3 Ų33.32%0.01720%0.197CC..BIsolated β-bridgetrans-81.1122.1-177.900000112.8P190 Q198 V222 P223 L224A169-P190 CarbonylContact C-O 3.55Å; A169-P190 VanDerWaalsContact CA-O 3.26Å; A169-P190 WeakPolarHBondContact CA-O 3.18Å; A169-P190 HydrophobicContact CB-CB 4.11Å; A169-Q198 HydrophobicContact CB-CG 4.19Å; A169-Q198 VanDerWaalsContact CB-NE2 3.34Å; A169-V222 PolarHBondContact N-O 2.78Å; A169-P223 CarbonylContact O-C 3.54Å; A169-L224 WeakPolarHBondContact O-CB 3.42Å; A169-L224 PolarHBondContact O-N 3.14Å
170A96.1Very high97.7Very high1 Ų132.7 Ų32.71%0.00819%0.188CC..BIsolated β-bridgetrans-97133.5172.800000110.4V172 P190 E191 G192 L224A170-V172 WeakPolarHBondContact CB-O 3.46Å; A170-V172 PolarHBondContact O-N 3.42Å; A170-P190 PolarHBondContact N-O 2.81Å; A170-E191 VanDerWaalsContact O-CA 3.3Å; A170-E191 WeakPolarHBondContact O-CA 3.35Å; A170-G192 PolarHBondContact O-N 2.86Å; A170-L224 HydrophobicContact CB-CB 4.33Å; A170-L224 HydrophobicContact CB-CD2 3.9Å
171P95Very high97.7Very high89 Ų8929.4 Ų29.458%0.57817%0.167SC*.SBendtrans-58.2-38169.5-2534.4000112.3G192P171-G192 WeakPolarHBondContact CA-O 3.48Å
172V93.8Very high97.7Very high107 Ų10732.1 Ų32.165%0.64818%0.178SC*.SBendtrans-140.9134.5170.6178.60000106.9A170 P174A170-V172 WeakPolarHBondContact CB-O 3.46Å; A170-V172 PolarHBondContact O-N 3.42Å; V172-P174 WeakPolarHBondContact O-CD 3.4Å
173I96.1Very high97.6Very high4 Ų433.6 Ų33.62%0.02119%0.186CC..  trans-62.3121.4178.9-65.8165.7000110.4K178 L187 C189 E191 V201 I203I173-K178 HydrophobicContact CG2-CG 4.28Å; I173-L187 HydrophobicContact CD1-CD2 4.26Å; I173-L187 HydrophobicContact CG2-CD1 4.16Å; I173-L187 HydrophobicContact CG2-CD2 4.12Å; I173-C189 HydrophobicContact CD1-CB 3.95Å; I173-C189 HydrophobicContact CG1-CB 4.02Å; I173-E191 HydrophobicContact CD1-CB 4.38Å; I173-E191 HydrophobicContact CG1-CB 4.42Å; I173-E191 HydrophobicContact CG1-CG 4.34Å; I173-E191 PolarHBondContact N-OE1 3.28Å; I173-V201 HydrophobicContact CD1-CB 4.42Å; I173-V201 HydrophobicContact CD1-CG1 4.24Å; I173-I203 HydrophobicContact CB-CD1 4.45Å; I173-I203 HydrophobicContact CD1-CD1 3.43Å; I173-I203 VanDerWaalsContact CD1-CD1 3.43Å; I173-I203 HydrophobicContact CD1-CG1 4.18Å; I173-I203 HydrophobicContact CG2-CD1 4.31Å
174P97.5Very high97.6Very high27 Ų2735.4 Ų35.418%0.17520%0.204CC..  trans-54.5139.9-179.1-27.533.9000113.6R152 V172 A176 L177 L224R152-P174 HydrophobicContact CB-CG 4.35Å; R152-P174 WeakPolarHBondContact O-CB 3.27Å; V172-P174 WeakPolarHBondContact O-CD 3.4Å; P174-A176 VanDerWaalsContact C-N 3.34Å; P174-A176 PolarHBondContact O-N 2.68Å; P174-L177 HydrophobicContact CB-CD1 4.39Å; P174-L177 HydrophobicContact CB-CG 4.26Å; P174-L177 HydrophobicContact CG-CD1 4.22Å; P174-L177 PolarHBondContact O-N 3.24Å; P174-L224 HydrophobicContact CG-CD2 3.94Å
175N97.6Very high97.6Very high99 Ų9935.4 Ų35.453%0.52921%0.205SC..Hα-helixtrans-65.1-37.2178.9-73.8-21.3000112.3L177 K178 E179N175-L177 PolarHBondContact O-N 3.37Å; N175-K178 WeakPolarHBondContact O-CB 3.35Å; N175-K178 PolarHBondContact O-N 3.34Å; N175-K178 WeakPolarHBondContact OD1-CE 3.36Å; N175-K178 PolarHBondContact OD1-NZ 3.44Å; N175-E179 WeakPolarHBondContact O-CG 3.2Å; N175-E179 PolarHBondContact O-N 3.11Å
176A98.4Very high97.6Very high19 Ų1937 Ų3716%0.15721%0.21CC..Hα-helixtrans-54.2-40.3177.500000112.4P174 E179 Q180P174-A176 VanDerWaalsContact C-N 3.34Å; P174-A176 PolarHBondContact O-N 2.68Å; A176-E179 PolarHBondContact O-N 3.07Å; A176-Q180 WeakPolarHBondContact O-CB 3.21Å; A176-Q180 VanDerWaalsContact O-CG 3.25Å; A176-Q180 WeakPolarHBondContact O-CG 3.42Å; A176-Q180 PolarHBondContact O-N 2.8Å
177L98.7Very high97.6Very high0 Ų037 Ų370%021%0.21CC..Hα-helixtrans-67-40.4176.5-61.8-178.4000112.4L83 V85 G154 I164 V166 P174 N175 L181 L187L83-L177 HydrophobicContact CD2-CD2 4.11Å; V85-L177 HydrophobicContact CG2-CD1 4.36Å; V85-L177 HydrophobicContact CG2-CD2 3.84Å; G154-L177 VanDerWaalsContact CA-CD2 3.49Å; I164-L177 WeakPolarHBondContact CD1-O 3.41Å; V166-L177 HydrophobicContact CG2-CD1 3.77Å; P174-L177 HydrophobicContact CB-CD1 4.39Å; P174-L177 HydrophobicContact CB-CG 4.26Å; P174-L177 HydrophobicContact CG-CD1 4.22Å; P174-L177 PolarHBondContact O-N 3.24Å; N175-L177 PolarHBondContact O-N 3.37Å; L177-L181 PolarHBondContact O-N 2.9Å; L177-L187 HydrophobicContact CB-CD1 3.76Å
178K98.2Very high97.6Very high44 Ų4436.4 Ų36.419%0.19121%0.205CC..Hα-helixtrans-66.8-37.8176.2-71.5179-68.1-177.70111.9I173 N175 L181 I203 F211I173-K178 HydrophobicContact CG2-CG 4.28Å; N175-K178 WeakPolarHBondContact O-CB 3.35Å; N175-K178 PolarHBondContact O-N 3.34Å; N175-K178 WeakPolarHBondContact OD1-CE 3.36Å; N175-K178 PolarHBondContact OD1-NZ 3.44Å; K178-L181 WeakPolarHBondContact O-CB 3.43Å; K178-L181 PolarHBondContact O-N 3.23Å; K178-I203 HydrophobicContact CD-CD1 4.32Å; K178-F211 HydrophobicContact CB-CE1 3.93Å; K178-F211 HydrophobicContact CB-CE2 4.36Å; K178-F211 HydrophobicContact CB-CZ 3.75Å; K178-F211 HydrophobicContact CG-CE1 4.37Å
179E98Very high97.7Very high137 Ų13736 Ų3664%0.6420%0.201SC*.Hα-helixtrans-68.3-37179.1-73.4170-172.200112.4N175 A176 L181 R205N175-E179 WeakPolarHBondContact O-CG 3.2Å; N175-E179 PolarHBondContact O-N 3.11Å; A176-E179 PolarHBondContact O-N 3.07Å; E179-L181 PolarHBondContact O-N 3.31Å; E179-R205 PolarHBondContact O-NH1 3.27Å
180Q98.7Very high97.8Very high19 Ų1936 Ų369%0.08920%0.201CC..THydrogen-bonded Turntrans-76-7.4176.6-68.8172.23800113.5E153 A159 P160 Y161 A176E153-Q180 PolarHBondContact O-NE2 3.49Å; A159-Q180 HydrophobicContact CB-CB 4.05Å; A159-Q180 HydrophobicContact CB-CG 3.93Å; P160-Q180 CarbonylContact C-O 3.56Å; P160-Q180 WeakPolarHBondContact CA-O 3.38Å; P160-Q180 WeakPolarHBondContact CB-O 3.35Å; Y161-Q180 HydrophobicContact CD2-CB 4.04Å; Y161-Q180 HydrophobicContact CE2-CB 4.35Å; Y161-Q180 PolarHBondContact N-O 3.43Å; A176-Q180 WeakPolarHBondContact O-CB 3.21Å; A176-Q180 VanDerWaalsContact O-CG 3.25Å; A176-Q180 WeakPolarHBondContact O-CG 3.42Å; A176-Q180 PolarHBondContact O-N 2.8Å
181L98.6Very high97.8Very high0 Ų037.6 Ų37.60%021%0.208CC..EExtended strand (participates in β ladder)trans-79.7129.2177.5-164.266.4000110.8I164 L177 K178 E179 L187 R205I164-L181 HydrophobicContact CB-CD1 4.39Å; I164-L181 HydrophobicContact CD1-CB 4.21Å; I164-L181 HydrophobicContact CD1-CD1 3.87Å; I164-L181 HydrophobicContact CG1-CD1 3.8Å; L177-L181 PolarHBondContact O-N 2.9Å; K178-L181 WeakPolarHBondContact O-CB 3.43Å; K178-L181 PolarHBondContact O-N 3.23Å; E179-L181 PolarHBondContact O-N 3.31Å; L181-L187 HydrophobicContact CD1-CB 4.45Å; L181-L187 HydrophobicContact CD2-CB 3.98Å; L181-R205 HydrophobicContact CD2-CB 4.03Å; L181-R205 HydrophobicContact CG-CB 4.4Å; L181-R205 WeakPolarHBondContact O-CD 3.19Å; L181-R205 PolarHBondContact O-NH1 2.97Å
182K98.6Very high97.9Very high58 Ų5833.8 Ų33.825%0.25219%0.185SC..EExtended strand (participates in β ladder)trans-60.5155.5174.6-73.7178.8-174.1172.60111.4P160 Y161 D162 G184 G185 R205P160-K182 HydrophobicContact CB-CG 3.58Å; P160-K182 HydrophobicContact CG-CD 4.4Å; P160-K182 HydrophobicContact CG-CG 3.66Å; P160-K182 WeakPolarHBondContact O-CE 3.33Å; Y161-K182 WeakPolarHBondContact O-CB 3.37Å; Y161-K182 PolarHBondContact O-N 3.34Å; D162-K182 VanDerWaalsContact CG-NZ 3.3Å; D162-K182 VanDerWaalsContact OD1-CD 3.24Å; D162-K182 WeakPolarHBondContact OD1-CD 3.36Å; D162-K182 IonicContact OD1-NZ 3.93Å; D162-K182 PolarHBondContact OD1-NZ 3.45Å; D162-K182 IonicContact OD2-NZ 2.73Å; D162-K182 PolarHBondContact OD2-NZ 3.04Å; K182-G184 PolarHBondContact O-N 3.4Å; K182-G185 WeakPolarHBondContact O-CA 3.22Å; K182-G185 PolarHBondContact O-N 3.47Å; K182-R205 WeakPolarHBondContact O-CB 3.14Å
183I98.5Very high97.8Very high73 Ų7332.5 Ų32.537%0.37418%0.179SC..EExtended strand (participates in β ladder)trans-58.3129.4162.4-63.6-70.5000108.4G185 R205 L206I183-G185 VanDerWaalsContact C-N 3.25Å; I183-R205 HydrophobicContact CD1-CG 4.1Å; I183-L206 WeakPolarHBondContact CD1-O 3.45Å
184G98.3Very high97.5Very high38 Ų3837.2 Ų37.239%0.39220%0.201SC..EExtended strand (participates in β ladder)trans79.12-171.300000114.6H75 K182 R205H75-G184 PolarHBondContact NE2-O 3.13Å; K182-G184 PolarHBondContact O-N 3.4Å; G184-R205 VanDerWaalsContact CA-O 3.28Å; G184-R205 WeakPolarHBondContact CA-O 3.3Å; G184-R205 PolarHBondContact N-O 3.17Å
185G98.7Very high97Very high1 Ų140 Ų401%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-81.7163177.500000113.2D162 K182 I183 D204 R205D162-G185 CarbonylContact O-C 3.58Å; D162-G185 WeakPolarHBondContact O-CA 3.2Å; K182-G185 WeakPolarHBondContact O-CA 3.22Å; K182-G185 PolarHBondContact O-N 3.47Å; I183-G185 VanDerWaalsContact C-N 3.25Å; G185-D204 WeakPolarHBondContact O-CA 3.18Å; G185-R205 PolarHBondContact O-N 3.47Å
186R98.8Very high96.6Very high39 Ų3936.8 Ų36.815%0.14723%0.225CC..EExtended strand (participates in β ladder)trans-125.6135.3179.5176.7172.3-69.41695.4113.4A71 L72 H75 D162 A163 I164 I188 Q202 I203 D204A71-R186 WeakPolarHBondContact O-CD 3.35Å; A71-R186 PolarHBondContact O-NH1 3.26Å; L72-R186 HydrophobicContact CD2-CB 4.26Å; L72-R186 HydrophobicContact CD2-CG 3.87Å; H75-R186 VanDerWaalsContact CD2-CB 3.46Å; H75-R186 WeakPolarHBondContact CD2-CB 3.25Å; H75-R186 PolarHBondContact CD2-N 2.75Å; H75-R186 WeakPolarHBondContact NE2-CB 3.25Å; D162-R186 PolarHBondContact O-N 2.95Å; A163-R186 CarbonylContact C-O 3.59Å; A163-R186 VanDerWaalsContact CA-O 3.24Å; A163-R186 WeakPolarHBondContact CA-O 3.35Å; I164-R186 PolarHBondContact N-O 3.41Å; R186-I188 HydrophobicContact CG-CD1 4.3Å; R186-I188 HydrophobicContact CG-CG1 4.38Å; R186-Q202 HydrophobicContact CG-CG 4Å; R186-Q202 VanDerWaalsContact CZ-NE2 3.26Å; R186-Q202 VanDerWaalsContact NE-CD 3.35Å; R186-I203 CarbonylContact C-O 3.57Å; R186-I203 WeakPolarHBondContact CA-O 3.36Å; R186-D204 IonicContact CZ-OD1 3.04Å; R186-D204 VanDerWaalsContact CZ-OD1 3.25Å; R186-D204 IonicContact NE-OD1 2.65Å; R186-D204 PolarHBondContact NE-OD1 3.43Å; R186-D204 IonicContact NE-OD2 3.01Å; R186-D204 IonicContact NH2-OD1 3Å; R186-D204 PolarHBondContact NH2-OD1 2.99Å; R186-D204 IonicContact NH2-OD2 3.85Å
187L98.8Very high96.4Very high0 Ų043.3 Ų43.30%026%0.257CS..EExtended strand (participates in β ladder)trans-113.1133.4170.9-179.7158.8000110.2I164 I173 L177 L181 C189 Q202 I203I164-L187 HydrophobicContact CB-CB 4.21Å; I164-L187 HydrophobicContact CB-CD1 4.21Å; I164-L187 HydrophobicContact CB-CG 4.06Å; I164-L187 HydrophobicContact CD1-CD1 4.44Å; I164-L187 HydrophobicContact CG2-CD1 4.07Å; I164-L187 HydrophobicContact CG2-CG 4.13Å; I164-L187 CarbonylContact O-C 3.49Å; I164-L187 VanDerWaalsContact O-CA 3.25Å; I164-L187 WeakPolarHBondContact O-CA 3.33Å; I173-L187 HydrophobicContact CD1-CD2 4.26Å; I173-L187 HydrophobicContact CG2-CD1 4.16Å; I173-L187 HydrophobicContact CG2-CD2 4.12Å; L177-L187 HydrophobicContact CB-CD1 3.76Å; L181-L187 HydrophobicContact CD1-CB 4.45Å; L181-L187 HydrophobicContact CD2-CB 3.98Å; L187-C189 HydrophobicContact CD2-CB 3.53Å; L187-Q202 CarbonylContact O-C 3.51Å; L187-Q202 WeakPolarHBondContact O-CA 2.98Å; L187-I203 HydrophobicContact CB-CB 4.33Å; L187-I203 PolarHBondContact N-O 2.91Å; L187-I203 PolarHBondContact O-N 3.42Å
188I98.6Very high96.3Very high0 Ų043.9 Ų43.90%026%0.26CS..EExtended strand (participates in β ladder)trans-116.4122.8171.8-62-64.6000108.8A71 L72 I164 V166 R186 L200 V201 Q202 L216A71-I188 HydrophobicContact CB-CD1 3.68Å; A71-I188 HydrophobicContact CB-CG1 3.89Å; L72-I188 HydrophobicContact CD1-CG1 4.36Å; L72-I188 HydrophobicContact CD2-CB 4.44Å; L72-I188 HydrophobicContact CD2-CG1 3.61Å; L72-I188 HydrophobicContact CG-CG1 3.79Å; I164-I188 PolarHBondContact O-N 3.03Å; V166-I188 PolarHBondContact N-O 2.93Å; R186-I188 HydrophobicContact CG-CD1 4.3Å; R186-I188 HydrophobicContact CG-CG1 4.38Å; I188-L200 HydrophobicContact CG2-CD1 3.63Å; I188-L200 HydrophobicContact CG2-CD2 4.23Å; I188-L200 HydrophobicContact CG2-CG 3.94Å; I188-V201 WeakPolarHBondContact CA-O 3.45Å; I188-Q202 HydrophobicContact CD1-CB 3.63Å; I188-Q202 HydrophobicContact CD1-CG 3.74Å; I188-L216 HydrophobicContact CD1-CD1 4.04Å
189C98.4Very high96.3Very high0 Ų042.8 Ų42.80%026%0.259CS..EExtended strand (participates in β ladder)trans-147.6132.1-177.9178.50000111.6V166 I173 L187 E191 V201V166-C189 HydrophobicContact CB-CB 3.8Å; V166-C189 HydrophobicContact CG2-CB 3.79Å; I173-C189 HydrophobicContact CD1-CB 3.95Å; I173-C189 HydrophobicContact CG1-CB 4.02Å; L187-C189 HydrophobicContact CD2-CB 3.53Å; C189-E191 PolarHBondContact O-N 2.91Å; C189-V201 PolarHBondContact N-O 3.25Å; C189-V201 PolarHBondContact O-N 3.09Å
190P97.7Very high96.2Very high0 Ų036.4 Ų36.40%023%0.229CC..EExtended strand (participates in β ladder)trans-62.8120.1162.8-15.328.1000109.7V166 A169 A170 A199 L200 V219 Y221V166-P190 WeakPolarHBondContact O-CD 3.47Å; A169-P190 CarbonylContact C-O 3.55Å; A169-P190 VanDerWaalsContact CA-O 3.26Å; A169-P190 WeakPolarHBondContact CA-O 3.18Å; A169-P190 HydrophobicContact CB-CB 4.11Å; A170-P190 PolarHBondContact N-O 2.81Å; P190-A199 CarbonylContact C-O 3.6Å; P190-A199 WeakPolarHBondContact CA-O 3.31Å; P190-L200 HydrophobicContact CG-CD1 4.05Å; P190-V219 HydrophobicContact CB-CG2 3.87Å; P190-Y221 HydrophobicContact CB-CD1 4.37Å; P190-Y221 HydrophobicContact CB-CD2 3.94Å; P190-Y221 HydrophobicContact CB-CE2 4.43Å; P190-Y221 HydrophobicContact CB-CG 3.91Å; P190-Y221 HydrophobicContact CG-CD1 3.52Å; P190-Y221 HydrophobicContact CG-CD2 3.66Å; P190-Y221 HydrophobicContact CG-CE1 3.62Å; P190-Y221 HydrophobicContact CG-CE2 3.8Å; P190-Y221 HydrophobicContact CG-CG 3.52Å
191E97.7Very high96.2Very high35 Ų3535.5 Ų35.516%0.16423%0.225CC..EExtended strand (participates in β ladder)trans-119.3131.5179.8-171.1175-127.700110.4A170 I173 C189 Q198 A199 V201 R213A170-E191 VanDerWaalsContact O-CA 3.3Å; A170-E191 WeakPolarHBondContact O-CA 3.35Å; I173-E191 HydrophobicContact CD1-CB 4.38Å; I173-E191 HydrophobicContact CG1-CB 4.42Å; I173-E191 HydrophobicContact CG1-CG 4.34Å; I173-E191 PolarHBondContact N-OE1 3.28Å; C189-E191 PolarHBondContact O-N 2.91Å; E191-Q198 WeakPolarHBondContact O-CA 3.45Å; E191-A199 PolarHBondContact N-O 2.97Å; E191-A199 PolarHBondContact O-N 3.41Å; E191-V201 HydrophobicContact CB-CB 4.38Å; E191-V201 HydrophobicContact CB-CG2 3.8Å; E191-R213 IonicContact OE2-CZ 3.97Å; E191-R213 VanDerWaalsContact OE2-CZ 3.25Å; E191-R213 IonicContact OE2-NE 2.87Å; E191-R213 PolarHBondContact OE2-NE 3.38Å; E191-R213 VanDerWaalsContact OE2-NE 3.12Å; E191-R213 IonicContact OE2-NH2 3.25Å; E191-R213 PolarHBondContact OE2-NH2 2.97Å
192G95.8Very high96.2Very high10 Ų1036.5 Ų36.510%0.10323%0.23CC..SBendtrans153.8166177.100000112.8A170 P171A170-G192 PolarHBondContact O-N 2.86Å; P171-G192 WeakPolarHBondContact CA-O 3.48Å
193P92.8Very high96.2Very high79 Ų7934.2 Ų34.251%0.51322%0.22SC..  trans-64.3148.8179.227.3-34.2000111.7G195 G196P193-G195 PolarHBondContact O-N 3.02Å; P193-G196 PolarHBondContact O-N 2.99Å; P193-G196 VanDerWaalsContact O-N 3.13Å
194E89.5Confident96.2Very high103 Ų10331.6 Ų31.648%0.48121%0.207SC..THydrogen-bonded Turntrans-60.3134.7171.8-174.9175.115300110.7G196 P223 R229E194-G196 PolarHBondContact O-N 3.02Å; E194-G196 VanDerWaalsContact O-N 3.09Å; E194-P223 HydrophobicContact CG-CB 4.18Å; E194-P223 HydrophobicContact CG-CG 4.3Å; E194-P223 WeakPolarHBondContact OE2-CB 3.46Å; E194-R229 VanDerWaalsContact CD-NH2 3.35Å; E194-R229 IonicContact OE1-NH1 3.56Å; E194-R229 IonicContact OE1-NH2 3.97Å; E194-R229 PolarHBondContact OE1-NH2 3.24Å; E194-R229 IonicContact OE2-CZ 2.8Å; E194-R229 IonicContact OE2-NH1 3.63Å; E194-R229 PolarHBondContact OE2-NH1 3.42Å; E194-R229 IonicContact OE2-NH2 3.44Å; E194-R229 PolarHBondContact OE2-NH2 3.35Å
195G86.3Confident96.2Very high87 Ų8732.8 Ų32.890%0.89720%0.2SC*.THydrogen-bonded Turntrans68.10.5-176.800000115P193P193-G195 PolarHBondContact O-N 3.02Å
196G90.6Very high96.2Very high30 Ų3035.7 Ų35.731%0.30921%0.214SC..SBendtrans-107.9-168.717700000113.3P193 E194 Q198P193-G196 PolarHBondContact O-N 2.99Å; P193-G196 VanDerWaalsContact O-N 3.13Å; E194-G196 PolarHBondContact O-N 3.02Å; E194-G196 VanDerWaalsContact O-N 3.09Å; G196-Q198 PolarHBondContact O-N 2.93Å
197N93.5Very high96.1Very high157 Ų15741.3 Ų41.384%0.8424%0.243SC*.  trans-69.6121.7176.6-68.3-24.4000109.9
198Q96.6Very high96.1Very high11 Ų1147.4 Ų47.45%0.05128%0.275CS..EExtended strand (participates in β ladder)trans-113.3149.9173.8-56.4162.6-2.200109.4A169 E191 G196 G218 V219 Y221A169-Q198 HydrophobicContact CB-CG 4.19Å; A169-Q198 VanDerWaalsContact CB-NE2 3.34Å; E191-Q198 WeakPolarHBondContact O-CA 3.45Å; G196-Q198 PolarHBondContact O-N 2.93Å; Q198-G218 WeakPolarHBondContact O-CA 3.44Å; Q198-V219 HydrophobicContact CB-CG2 4.14Å; Q198-V219 WeakPolarHBondContact CB-O 3.47Å; Q198-V219 PolarHBondContact O-N 2.67Å; Q198-Y221 PolarHBondContact NE2-O 3.17Å; Q198-Y221 PolarHBondContact OE1-O 2.81Å
199A97Very high95.9Very high21 Ų2148.7 Ų48.717%0.17429%0.288CS..EExtended strand (participates in β ladder)trans-123.214017300000110P190 E191 V201 M217P190-A199 CarbonylContact C-O 3.6Å; P190-A199 WeakPolarHBondContact CA-O 3.31Å; E191-A199 PolarHBondContact N-O 2.97Å; E191-A199 PolarHBondContact O-N 3.41Å; A199-V201 HydrophobicContact CB-CG2 4.42Å; A199-V201 PolarHBondContact O-N 3.33Å; A199-M217 CarbonylContact C-O 3.57Å; A199-M217 VanDerWaalsContact CA-O 3.28Å; A199-M217 WeakPolarHBondContact CA-O 3.42Å
200L97.7Very high95.9Very high4 Ų451 Ų512%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-70.8115.4166.2-167.867.9000107.8M64 I188 P190 L216 M217 V219M64-L200 HydrophobicContact CE-CD2 4.25Å; I188-L200 HydrophobicContact CG2-CD1 3.63Å; I188-L200 HydrophobicContact CG2-CD2 4.23Å; I188-L200 HydrophobicContact CG2-CG 3.94Å; P190-L200 HydrophobicContact CG-CD1 4.05Å; L200-L216 HydrophobicContact CB-CB 4.47Å; L200-L216 HydrophobicContact CD2-CD1 4.18Å; L200-L216 HydrophobicContact CG-CD1 4.33Å; L200-L216 WeakPolarHBondContact O-CB 3.4Å; L200-L216 PolarHBondContact O-N 3.31Å; L200-M217 HydrophobicContact CB-CG 3.96Å; L200-M217 HydrophobicContact CD2-CG 4.32Å; L200-M217 HydrophobicContact CD2-SD 4.39Å; L200-M217 PolarHBondContact N-O 3.23Å; L200-V219 HydrophobicContact CB-CG1 3.87Å; L200-V219 HydrophobicContact CB-CG2 4.3Å
201V98.2Very high95.9Very high0 Ų055.1 Ų55.10%032%0.323CS..EExtended strand (participates in β ladder)trans-108.1138.3-176.8176.10000109.5I173 I188 C189 E191 A199 I203 R213 K214I173-V201 HydrophobicContact CD1-CB 4.42Å; I173-V201 HydrophobicContact CD1-CG1 4.24Å; I188-V201 WeakPolarHBondContact CA-O 3.45Å; C189-V201 PolarHBondContact N-O 3.25Å; C189-V201 PolarHBondContact O-N 3.09Å; E191-V201 HydrophobicContact CB-CB 4.38Å; E191-V201 HydrophobicContact CB-CG2 3.8Å; A199-V201 HydrophobicContact CB-CG2 4.42Å; A199-V201 PolarHBondContact O-N 3.33Å; V201-I203 HydrophobicContact CG1-CG1 4.09Å; V201-R213 HydrophobicContact CG1-CG 3.61Å; V201-K214 WeakPolarHBondContact CA-O 3.23Å
202Q98.6Very high95.9Very high20 Ų2058.9 Ų58.99%0.09334%0.34CS..EExtended strand (participates in β ladder)trans-103.2131.7167.5-179.6-179.1-53.200109.6R186 L187 I188 D204 R213 K214 L216R186-Q202 HydrophobicContact CG-CG 4Å; R186-Q202 VanDerWaalsContact CZ-NE2 3.26Å; R186-Q202 VanDerWaalsContact NE-CD 3.35Å; L187-Q202 CarbonylContact O-C 3.51Å; L187-Q202 WeakPolarHBondContact O-CA 2.98Å; I188-Q202 HydrophobicContact CD1-CB 3.63Å; I188-Q202 HydrophobicContact CD1-CG 3.74Å; Q202-D204 PolarHBondContact NE2-OD2 3.35Å; Q202-R213 CarbonylContact O-C 3.54Å; Q202-R213 WeakPolarHBondContact O-CA 3.49Å; Q202-K214 HydrophobicContact CB-CB 4.41Å; Q202-K214 PolarHBondContact N-O 2.82Å; Q202-K214 PolarHBondContact O-N 2.89Å; Q202-L216 HydrophobicContact CB-CD1 4.12Å; Q202-L216 HydrophobicContact CB-CD2 4.2Å; Q202-L216 HydrophobicContact CB-CG 4.18Å
203I98.5Very high96Very high11 Ų1165.6 Ų65.66%0.05636%0.362CS..EExtended strand (participates in β ladder)trans-121.3123.1170.7-62.7-174.4000108.3I173 K178 R186 L187 V201 F211 Q212 R213I173-I203 HydrophobicContact CB-CD1 4.45Å; I173-I203 HydrophobicContact CD1-CD1 3.43Å; I173-I203 VanDerWaalsContact CD1-CD1 3.43Å; I173-I203 HydrophobicContact CD1-CG1 4.18Å; I173-I203 HydrophobicContact CG2-CD1 4.31Å; K178-I203 HydrophobicContact CD-CD1 4.32Å; R186-I203 CarbonylContact C-O 3.57Å; R186-I203 WeakPolarHBondContact CA-O 3.36Å; L187-I203 HydrophobicContact CB-CB 4.33Å; L187-I203 PolarHBondContact N-O 2.91Å; L187-I203 PolarHBondContact O-N 3.42Å; V201-I203 HydrophobicContact CG1-CG1 4.09Å; I203-F211 HydrophobicContact CG2-CB 4.04Å; I203-F211 HydrophobicContact CG2-CD1 3.66Å; I203-F211 HydrophobicContact CG2-CG 4.22Å; I203-Q212 CarbonylContact C-O 3.57Å; I203-Q212 VanDerWaalsContact CA-O 3.3Å; I203-Q212 WeakPolarHBondContact CA-O 3.28Å; I203-R213 HydrophobicContact CG1-CG 4.49Å
204D98.6Very high96.3Very high18 Ų1867.8 Ų67.810%0.09636%0.364CS..EExtended strand (participates in β ladder)trans-107.8131.1172-59.9-82.8000109G185 R186 Q202 F211 Q212G185-D204 WeakPolarHBondContact O-CA 3.18Å; R186-D204 IonicContact CZ-OD1 3.04Å; R186-D204 VanDerWaalsContact CZ-OD1 3.25Å; R186-D204 IonicContact NE-OD1 2.65Å; R186-D204 PolarHBondContact NE-OD1 3.43Å; R186-D204 IonicContact NE-OD2 3.01Å; R186-D204 IonicContact NH2-OD1 3Å; R186-D204 PolarHBondContact NH2-OD1 2.99Å; R186-D204 IonicContact NH2-OD2 3.85Å; Q202-D204 PolarHBondContact NE2-OD2 3.35Å; D204-F211 WeakPolarHBondContact O-CA 3.44Å; D204-Q212 PolarHBondContact N-O 3.2Å; D204-Q212 PolarHBondContact O-N 2.88Å
205R98.6Very high96.6Very high63 Ų6366.2 Ų66.224%0.23836%0.364CS..EExtended strand (participates in β ladder)trans-86.4115172.3-169.1177.9-175.7175.21.4109E179 L181 K182 I183 G184 G185 F211E179-R205 PolarHBondContact O-NH1 3.27Å; L181-R205 HydrophobicContact CD2-CB 4.03Å; L181-R205 HydrophobicContact CG-CB 4.4Å; L181-R205 WeakPolarHBondContact O-CD 3.19Å; L181-R205 PolarHBondContact O-NH1 2.97Å; K182-R205 WeakPolarHBondContact O-CB 3.14Å; I183-R205 HydrophobicContact CD1-CG 4.1Å; G184-R205 VanDerWaalsContact CA-O 3.28Å; G184-R205 WeakPolarHBondContact CA-O 3.3Å; G184-R205 PolarHBondContact N-O 3.17Å; G185-R205 PolarHBondContact O-N 3.47Å; R205-F211 HydrophobicContact CB-CD1 4.01Å; R205-F211 HydrophobicContact CB-CE1 3.79Å; R205-F211 HydrophobicContact CG-CD1 4.12Å; R205-F211 HydrophobicContact CG-CE1 3.65Å; R205-F211 HydrophobicContact CG-CZ 4.17Å
206L98.3Very high97.1Very high61 Ų6165 Ų6532%0.31934%0.337SS..  trans-79168-175.4-58.6-172.1000112.2I183 D208 G209 S210 Q212I183-L206 WeakPolarHBondContact CD1-O 3.45Å; L206-D208 WeakPolarHBondContact CB-OD1 3.49Å; L206-D208 PolarHBondContact O-N 3.36Å; L206-G209 PolarHBondContact O-N 2.93Å; L206-S210 PolarHBondContact N-O 2.89Å; L206-Q212 HydrophobicContact CD1-CB 4.16Å; L206-Q212 HydrophobicContact CD2-CB 4.06Å; L206-Q212 HydrophobicContact CG-CB 4.18Å
207Q97.6Very high97.4Very high158 Ų15866.6 Ų66.674%0.73834%0.337SS*.THydrogen-bonded Turntrans-61.5-29.5-178.5-68.4-61.9-30.700113.7G209Q207-G209 PolarHBondContact O-N 3.5Å
208D97.1Very high97.4Very high127 Ų12762 Ų6268%0.67933%0.327SS*.THydrogen-bonded Turntrans-81.71.7175.866.1-3.3000113.3L206 S210L206-D208 WeakPolarHBondContact CB-OD1 3.49Å; L206-D208 PolarHBondContact O-N 3.36Å; D208-S210 VanDerWaalsContact C-N 3.29Å; D208-S210 VanDerWaalsContact CG-OG 3.32Å; D208-S210 PolarHBondContact O-N 3.17Å; D208-S210 VanDerWaalsContact OD1-CB 3.24Å; D208-S210 WeakPolarHBondContact OD1-CB 3.27Å; D208-S210 PolarHBondContact OD1-N 2.98Å; D208-S210 PolarHBondContact OD1-OG 3.27Å; D208-S210 PolarHBondContact OD2-OG 3.43Å
209G96Very high97.3Very high27 Ų2762.2 Ų62.228%0.27833%0.329SS..SBendtrans83.6-3.5-177.500000114.8L206 Q207L206-G209 PolarHBondContact O-N 2.93Å; Q207-G209 PolarHBondContact O-N 3.5Å
210S97.8Very high97.1Very high48 Ų4868.7 Ų68.734%0.33636%0.359SS..  trans-75.4168.4173.974.30000112L206 D208L206-S210 PolarHBondContact N-O 2.89Å; D208-S210 VanDerWaalsContact C-N 3.29Å; D208-S210 VanDerWaalsContact CG-OG 3.32Å; D208-S210 PolarHBondContact O-N 3.17Å; D208-S210 VanDerWaalsContact OD1-CB 3.24Å; D208-S210 WeakPolarHBondContact OD1-CB 3.27Å; D208-S210 PolarHBondContact OD1-N 2.98Å; D208-S210 PolarHBondContact OD1-OG 3.27Å; D208-S210 PolarHBondContact OD2-OG 3.43Å
211F97.9Very high97Very high88 Ų8869.8 Ų69.839%0.38636%0.363SS..EExtended strand (participates in β ladder)trans-116.1125.1-179-65-78.9000110.9K178 I203 D204 R205K178-F211 HydrophobicContact CB-CE1 3.93Å; K178-F211 HydrophobicContact CB-CE2 4.36Å; K178-F211 HydrophobicContact CB-CZ 3.75Å; K178-F211 HydrophobicContact CG-CE1 4.37Å; I203-F211 HydrophobicContact CG2-CB 4.04Å; I203-F211 HydrophobicContact CG2-CD1 3.66Å; I203-F211 HydrophobicContact CG2-CG 4.22Å; D204-F211 WeakPolarHBondContact O-CA 3.44Å; R205-F211 HydrophobicContact CB-CD1 4.01Å; R205-F211 HydrophobicContact CB-CE1 3.79Å; R205-F211 HydrophobicContact CG-CD1 4.12Å; R205-F211 HydrophobicContact CG-CE1 3.65Å; R205-F211 HydrophobicContact CG-CZ 4.17Å
212Q98Very high96.7Very high113 Ų11372.5 Ų72.553%0.52838%0.38SS..EExtended strand (participates in β ladder)trans-94.5131.8169.5-176.917567.200109.8I203 D204 L206I203-Q212 CarbonylContact C-O 3.57Å; I203-Q212 VanDerWaalsContact CA-O 3.3Å; I203-Q212 WeakPolarHBondContact CA-O 3.28Å; D204-Q212 PolarHBondContact N-O 3.2Å; D204-Q212 PolarHBondContact O-N 2.88Å; L206-Q212 HydrophobicContact CD1-CB 4.16Å; L206-Q212 HydrophobicContact CD2-CB 4.06Å; L206-Q212 HydrophobicContact CG-CB 4.18Å
213R97.6Very high96.6Very high151 Ų15173.1 Ų73.157%0.5739%0.385SS*.EExtended strand (participates in β ladder)trans-114.5138.2-178.8-175.9174.1175.3-95.21111.3E191 V201 Q202 I203E191-R213 IonicContact OE2-CZ 3.97Å; E191-R213 VanDerWaalsContact OE2-CZ 3.25Å; E191-R213 IonicContact OE2-NE 2.87Å; E191-R213 PolarHBondContact OE2-NE 3.38Å; E191-R213 VanDerWaalsContact OE2-NE 3.12Å; E191-R213 IonicContact OE2-NH2 3.25Å; E191-R213 PolarHBondContact OE2-NH2 2.97Å; V201-R213 HydrophobicContact CG1-CG 3.61Å; Q202-R213 CarbonylContact O-C 3.54Å; Q202-R213 WeakPolarHBondContact O-CA 3.49Å; I203-R213 HydrophobicContact CG1-CG 4.49Å
214K97.8Very high96.5Very high125 Ų12573.8 Ų73.854%0.54339%0.389SS..EExtended strand (participates in β ladder)trans-137.6131.2173.2-176.5-179.7178.7-177.30110.7V201 Q202 L216V201-K214 WeakPolarHBondContact CA-O 3.23Å; Q202-K214 HydrophobicContact CB-CB 4.41Å; Q202-K214 PolarHBondContact N-O 2.82Å; Q202-K214 PolarHBondContact O-N 2.89Å; K214-L216 HydrophobicContact CD-CD2 3.98Å; K214-L216 HydrophobicContact CG-CD2 4.13Å
215S97.5Very high96.3Very high71 Ų7173.2 Ų73.250%0.49739%0.386SS..EExtended strand (participates in β ladder)trans-83.6130.2167.8-174.30000109.4
216L96.7Very high96.1Very high62 Ų6272.5 Ų72.533%0.32539%0.387SS..EExtended strand (participates in β ladder)trans-98-51.8-175.9-58.4-179000111.9A71 I188 L200 Q202 K214A71-L216 HydrophobicContact CB-CD1 4.43Å; I188-L216 HydrophobicContact CD1-CD1 4.04Å; L200-L216 HydrophobicContact CB-CB 4.47Å; L200-L216 HydrophobicContact CD2-CD1 4.18Å; L200-L216 HydrophobicContact CG-CD1 4.33Å; L200-L216 WeakPolarHBondContact O-CB 3.4Å; L200-L216 PolarHBondContact O-N 3.31Å; Q202-L216 HydrophobicContact CB-CD1 4.12Å; Q202-L216 HydrophobicContact CB-CD2 4.2Å; Q202-L216 HydrophobicContact CB-CG 4.18Å; K214-L216 HydrophobicContact CD-CD2 3.98Å; K214-L216 HydrophobicContact CG-CD2 4.13Å
217M95.1Very high95.8Very high62 Ų6272.8 Ų72.831%0.30539%0.386SS..EExtended strand (participates in β ladder)trans-165.2160-174.757.6-167.3-73.400111.4Y67 A199 L200 V219Y67-M217 HydrophobicContact CD1-SD 4.42Å; Y67-M217 HydrophobicContact CD2-CE 3.92Å; Y67-M217 HydrophobicContact CD2-SD 4Å; Y67-M217 HydrophobicContact CE2-CE 3.62Å; Y67-M217 HydrophobicContact CE2-SD 4.13Å; Y67-M217 HydrophobicContact CG-SD 4.16Å; A199-M217 CarbonylContact C-O 3.57Å; A199-M217 VanDerWaalsContact CA-O 3.28Å; A199-M217 WeakPolarHBondContact CA-O 3.42Å; L200-M217 HydrophobicContact CB-CG 3.96Å; L200-M217 HydrophobicContact CD2-CG 4.32Å; L200-M217 HydrophobicContact CD2-SD 4.39Å; L200-M217 PolarHBondContact N-O 3.23Å; M217-V219 HydrophobicContact CG-CG1 4.13Å
218G95Very high95.5Very high61 Ų6170.8 Ų70.863%0.62938%0.38SS*.EExtended strand (participates in β ladder)trans-72.2141.2169.500000111.7Q198Q198-G218 WeakPolarHBondContact O-CA 3.44Å
219V94.8Very high95.3Very high15 Ų1571.3 Ų71.39%0.09137%0.372CS..EExtended strand (participates in β ladder)trans-144.2168.4-179.4-650000111.1M64 P190 Q198 L200 M217 Y221M64-V219 HydrophobicContact CE-CG1 3.8Å; M64-V219 HydrophobicContact SD-CG1 4.37Å; P190-V219 HydrophobicContact CB-CG2 3.87Å; Q198-V219 HydrophobicContact CB-CG2 4.14Å; Q198-V219 WeakPolarHBondContact CB-O 3.47Å; Q198-V219 PolarHBondContact O-N 2.67Å; L200-V219 HydrophobicContact CB-CG1 3.87Å; L200-V219 HydrophobicContact CB-CG2 4.3Å; M217-V219 HydrophobicContact CG-CG1 4.13Å; V219-Y221 HydrophobicContact CB-CD2 3.91Å; V219-Y221 HydrophobicContact CB-CE2 3.88Å; V219-Y221 HydrophobicContact CG1-CE2 4.24Å; V219-Y221 HydrophobicContact CG2-CD2 3.93Å; V219-Y221 HydrophobicContact CG2-CE2 4.14Å
220I92.8Very high95.1Very high157 Ų15771.9 Ų71.981%0.80537%0.368SS*.  trans-136.8115.8170.8-58.4176000107.5
221Y94Very high94.6Very high27 Ų2770.7 Ų70.711%0.10636%0.358CS..  trans-126.5155.6-178.9-85.6-116.9000110.1M64 G167 P190 Q198 V219M64-Y221 HydrophobicContact CE-CE2 3.83Å; M64-Y221 WeakPolarHBondContact CE-OH 3.39Å; M64-Y221 HydrophobicContact CG-CE2 4.38Å; G167-Y221 WeakPolarHBondContact O-CD1 3.41Å; P190-Y221 HydrophobicContact CB-CD1 4.37Å; P190-Y221 HydrophobicContact CB-CD2 3.94Å; P190-Y221 HydrophobicContact CB-CE2 4.43Å; P190-Y221 HydrophobicContact CB-CG 3.91Å; P190-Y221 HydrophobicContact CG-CD1 3.52Å; P190-Y221 HydrophobicContact CG-CD2 3.66Å; P190-Y221 HydrophobicContact CG-CE1 3.62Å; P190-Y221 HydrophobicContact CG-CE2 3.8Å; P190-Y221 HydrophobicContact CG-CG 3.52Å; Q198-Y221 PolarHBondContact NE2-O 3.17Å; Q198-Y221 PolarHBondContact OE1-O 2.81Å; V219-Y221 HydrophobicContact CB-CD2 3.91Å; V219-Y221 HydrophobicContact CB-CE2 3.88Å; V219-Y221 HydrophobicContact CG1-CE2 4.24Å; V219-Y221 HydrophobicContact CG2-CD2 3.93Å; V219-Y221 HydrophobicContact CG2-CE2 4.14Å
222V93.2Very high93.6Very high58 Ų5867.5 Ų67.535%0.35235%0.351SS..  trans-62.3149.7166.2-62.50000110A168 A169A168-V222 CarbonylContact C-O 3.42Å; A168-V222 WeakPolarHBondContact CA-O 3.47Å; A168-V222 HydrophobicContact CB-CG2 4.46Å; A169-V222 PolarHBondContact N-O 2.78Å
223P95.5Very high92Very high33 Ų3367.7 Ų67.721%0.21436%0.361CS..BIsolated β-bridgetrans-67.8141.7-176.128.3-36.2000112.3A169 E194 T225A169-P223 CarbonylContact O-C 3.54Å; E194-P223 HydrophobicContact CG-CB 4.18Å; E194-P223 HydrophobicContact CG-CG 4.3Å; E194-P223 WeakPolarHBondContact OE2-CB 3.46Å; P223-T225 PolarHBondContact O-N 3.02Å
224L96.2Very high89.9Confident24 Ų2471.8 Ų71.813%0.12638%0.377CS..  trans-71.5106165.7-177.967.5000107.9V85 R152 V166 A168 A169 A170 P174V85-L224 HydrophobicContact CG1-CD1 3.91Å; R152-L224 HydrophobicContact CG-CD1 4.38Å; R152-L224 HydrophobicContact CG-CD2 3.98Å; R152-L224 HydrophobicContact CG-CG 3.86Å; V166-L224 HydrophobicContact CG1-CD1 4.3Å; V166-L224 HydrophobicContact CG1-CD2 4.24Å; A168-L224 HydrophobicContact CB-CB 3.9Å; A168-L224 HydrophobicContact CB-CD1 4.1Å; A169-L224 WeakPolarHBondContact O-CB 3.42Å; A169-L224 PolarHBondContact O-N 3.14Å; A170-L224 HydrophobicContact CB-CB 4.33Å; A170-L224 HydrophobicContact CB-CD2 3.9Å; P174-L224 HydrophobicContact CG-CD2 3.94Å
225T94.7Very high87.8Confident6 Ų671.2 Ų71.24%0.03738%0.38CS..  trans-137.9178.3-166-170.20000111.2H111 P223 R229 Q230H111-T225 PolarHBondContact CE1-O 3.1Å; H111-T225 PolarHBondContact ND1-O 3.03Å; P223-T225 PolarHBondContact O-N 3.02Å; T225-R229 WeakPolarHBondContact OG1-CB 3.24Å; T225-R229 VanDerWaalsContact OG1-CD 3.25Å; T225-R229 WeakPolarHBondContact OG1-CD 3.35Å; T225-R229 WeakPolarHBondContact OG1-CG 3.48Å; T225-Q230 HydrophobicContact CG2-CB 3.85Å
226D93.9Very high85.4Confident49 Ų4973.9 Ų73.926%0.26238%0.384SS..  trans-93.1165.9165.848.875.8000112.9R152 D228 R229 Q230R152-D226 IonicContact CZ-OD2 2.66Å; R152-D226 IonicContact NH1-OD2 3.65Å; R152-D226 PolarHBondContact NH1-OD2 3.04Å; R152-D226 IonicContact NH2-OD2 3.77Å; D226-D228 PolarHBondContact O-N 3.34Å; D226-D228 PolarHBondContact OD1-N 3.05Å; D226-R229 PolarHBondContact O-N 3.05Å; D226-R229 VanDerWaalsContact OD1-CB 3.25Å; D226-R229 WeakPolarHBondContact OD1-CB 3.28Å; D226-R229 PolarHBondContact OD1-N 2.91Å; D226-Q230 PolarHBondContact O-N 3.31Å
227K91.9Very high83Confident67 Ų6775.5 Ų75.529%0.29140%0.399SS..Hα-helixtrans-51.6-52.3176.9178169.8-169.6174.50111.9I112 D113 R229 Q230 V231I112-K227 HydrophobicContact CD1-CB 3.91Å; I112-K227 HydrophobicContact CD1-CD 4.36Å; I112-K227 HydrophobicContact CD1-CG 3.65Å; D113-K227 IonicContact OD1-NZ 3.73Å; D113-K227 IonicContact OD2-NZ 3.25Å; D113-K227 PolarHBondContact OD2-NZ 2.93Å; K227-R229 VanDerWaalsContact C-N 3.31Å; K227-R229 PolarHBondContact O-N 3.48Å; K227-Q230 PolarHBondContact O-N 2.96Å; K227-Q230 VanDerWaalsContact O-N 3.1Å; K227-V231 HydrophobicContact CG-CG2 4.32Å; K227-V231 VanDerWaalsContact O-CG2 3.28Å; K227-V231 WeakPolarHBondContact O-CG2 3.27Å; K227-V231 PolarHBondContact O-N 3.08Å
228D92.3Very high80.5Confident116 Ų11679.8 Ų79.862%0.6242%0.421SS*.Hα-helixtrans-60.6-41.6-174.5-68.7-26.3000112D226 G232D226-D228 PolarHBondContact O-N 3.34Å; D226-D228 PolarHBondContact OD1-N 3.05Å; D228-G232 VanDerWaalsContact O-CA 3.23Å; D228-G232 WeakPolarHBondContact O-CA 3.3Å; D228-G232 PolarHBondContact O-N 2.81Å
229R91.8Very high78.1Confident137 Ų13783.6 Ų83.652%0.51743%0.426SS..Hα-helixtrans-70.7-34.4176.2-178.9169.6-174.1-85.7-4113.1E194 T225 D226 K227E194-R229 VanDerWaalsContact CD-NH2 3.35Å; E194-R229 IonicContact OE1-NH1 3.56Å; E194-R229 IonicContact OE1-NH2 3.97Å; E194-R229 PolarHBondContact OE1-NH2 3.24Å; E194-R229 IonicContact OE2-CZ 2.8Å; E194-R229 IonicContact OE2-NH1 3.63Å; E194-R229 PolarHBondContact OE2-NH1 3.42Å; E194-R229 IonicContact OE2-NH2 3.44Å; E194-R229 PolarHBondContact OE2-NH2 3.35Å; T225-R229 WeakPolarHBondContact OG1-CB 3.24Å; T225-R229 VanDerWaalsContact OG1-CD 3.25Å; T225-R229 WeakPolarHBondContact OG1-CD 3.35Å; T225-R229 WeakPolarHBondContact OG1-CG 3.48Å; D226-R229 PolarHBondContact O-N 3.05Å; D226-R229 VanDerWaalsContact OD1-CB 3.25Å; D226-R229 WeakPolarHBondContact OD1-CB 3.28Å; D226-R229 PolarHBondContact OD1-N 2.91Å; K227-R229 VanDerWaalsContact C-N 3.31Å; K227-R229 PolarHBondContact O-N 3.48Å
230Q92.7Very high75.5Confident39 Ų3988.8 Ų88.818%0.18246%0.457CS..Hα-helixtrans-73.8-49.5-177.4-176.3165.4-60.300113.3Y55 A56 H111 T225 D226 K227Y55-Q230 WeakPolarHBondContact O-CG 3.32Å; Y55-Q230 PolarHBondContact O-NE2 3.34Å; A56-Q230 HydrophobicContact CB-CG 4.09Å; H111-Q230 PolarHBondContact CE1-OE1 3.28Å; H111-Q230 VanDerWaalsContact CE1-OE1 3.26Å; H111-Q230 VanDerWaalsContact NE2-CD 3.31Å; H111-Q230 PolarHBondContact NE2-NE2 2.88Å; H111-Q230 PolarHBondContact NE2-OE1 2.85Å; T225-Q230 HydrophobicContact CG2-CB 3.85Å; D226-Q230 PolarHBondContact O-N 3.31Å; K227-Q230 PolarHBondContact O-N 2.96Å; K227-Q230 VanDerWaalsContact O-N 3.1Å
231V87.8Confident72.9Confident23 Ų2386.6 Ų86.614%0.13945%0.451CS..Hα-helixtrans-94-17.1-175.7-61.90000112.9Y55 I112 K227 D235Y55-V231 HydrophobicContact CD1-CG1 3.98Å; Y55-V231 HydrophobicContact CG-CG1 4.46Å; I112-V231 HydrophobicContact CD1-CG1 4Å; K227-V231 HydrophobicContact CG-CG2 4.32Å; K227-V231 VanDerWaalsContact O-CG2 3.28Å; K227-V231 WeakPolarHBondContact O-CG2 3.27Å; K227-V231 PolarHBondContact O-N 3.08Å; V231-D235 HydrophobicContact CB-CB 4.48Å
232G76.9Confident70.2Confident22 Ų2290 Ų9023%0.22748%0.479CS..THydrogen-bonded Turntrans61.6-179.1-175.100000113.5D228 R234D228-G232 VanDerWaalsContact O-CA 3.23Å; D228-G232 WeakPolarHBondContact O-CA 3.3Å; D228-G232 PolarHBondContact O-N 2.81Å; G232-R234 VanDerWaalsContact C-N 3.28Å; G232-R234 PolarHBondContact O-N 3.32Å
233P62.9Low67.7Low116 Ų11693.1 Ų93.175%0.75350%0.501SS*.G310 helixtrans-71.1-18.5-178-18.230.9000114.5
234R54.3Low64.9Low238 Ų23897.6 Ų97.690%0.89853%0.527SS*.G310 helixtrans-85.8-20.9-166.3-65.2-171-155.81677.4114.8G232G232-R234 VanDerWaalsContact C-N 3.28Å; G232-R234 PolarHBondContact O-N 3.32Å
235D53.8Low62.2Low112 Ų112106.8 Ų106.860%0.59957%0.566SS**G310 helixtrans-102.513-179-73.8-19.6000112.9V231V231-D235 HydrophobicContact CB-CB 4.48Å
236Q47.9Very low59.5Low127 Ų127111 Ų11159%0.59360%0.597SS**SBendtrans-64.9131.7164.4-68.2-170.7-5.300108.7I238Q236-I238 PolarHBondContact O-N 2.82Å
237P44.6Very low56.8Low97 Ų97113.9 Ų113.963%0.6362%0.62SS**  trans-56.4128.8177.520.9-30.3000108.9I239P237-I239 VanDerWaalsContact C-N 3.33Å; P237-I239 PolarHBondContact O-N 3.17Å
238I44.3Very low54.2Low152 Ų152117 Ų11778%0.77965%0.647SS**  trans-57.2103.8169.4-60.3174.4000105.9Q236 V240Q236-I238 PolarHBondContact O-N 2.82Å; I238-V240 HydrophobicContact CG2-CG2 3.95Å; I238-V240 PolarHBondContact O-N 2.83Å
239I43Very low51.5Low141 Ų141119.7 Ų119.772%0.72366%0.658SS**  trans-68.693.9168.3-57.9177.4000104.8P237 T241P237-I239 VanDerWaalsContact C-N 3.33Å; P237-I239 PolarHBondContact O-N 3.17Å; I239-T241 HydrophobicContact CG2-CG2 3.78Å; I239-T241 PolarHBondContact O-N 2.86Å
240V41.6Very low48.7Very low124 Ų124122.3 Ų122.375%0.75268%0.676SS**  trans-69.785.1166.8-176.10000105.8I238 S242I238-V240 HydrophobicContact CG2-CG2 3.95Å; I238-V240 PolarHBondContact O-N 2.83Å; V240-S242 PolarHBondContact O-N 3.15Å; V240-S242 VanDerWaalsContact O-N 3.15Å
241T37.6Very low45.9Very low110 Ų110126.5 Ų126.568%0.67570%0.698SS**PPolyproline II helixtrans-61.4118.1167.652.70000106.9I239I239-T241 HydrophobicContact CG2-CG2 3.78Å; I239-T241 PolarHBondContact O-N 2.86Å
242S37.8Very low43.3Very low99 Ų99130.4 Ų130.469%0.69273%0.727SS**PPolyproline II helixtrans-56.3132.6172.650.20000108.9V240 T244V240-S242 PolarHBondContact O-N 3.15Å; V240-S242 VanDerWaalsContact O-N 3.15Å; S242-T244 PolarHBondContact O-N 3.09Å; S242-T244 VanDerWaalsContact O-N 3.09Å
243P40.2Very low41.5Very low124 Ų124139 Ų13981%0.80575%0.754SS**PPolyproline II helixtrans-62.3120.7-178.11.60.1000109.6K245P243-K245 PolarHBondContact O-N 2.99Å
244T37.6Very low40.6Very low126 Ų126142 Ų14277%0.77376%0.757SS**PPolyproline II helixtrans-55.1129169.945.80000109.4S242 S246S242-T244 PolarHBondContact O-N 3.09Å; S242-T244 VanDerWaalsContact O-N 3.09Å; T244-S246 PolarHBondContact O-N 3.36Å
245K38Very low39.8Very low217 Ų217139.6 Ų139.694%0.94375%0.753SS**  trans-55.7104.8174.5-73.3176.7177.1177.40110.2P243P243-K245 PolarHBondContact O-N 2.99Å
246S38.6Very low39.2Very low96 Ų96140.4 Ų140.467%0.67176%0.757SS**  trans-137.9104.5161.960.60000110.8T244T244-S246 PolarHBondContact O-N 3.36Å
247S36.2Very low38.8Very low109 Ų109141.4 Ų141.476%0.76277%0.765SS**  trans53139152.2570000121M249S247-M249 PolarHBondContact O-N 3.42Å
248P37.4Very low38.7Very low131 Ų131142.3 Ų142.385%0.85177%0.769SS**  trans-80.1121.3-164.533-32.4000111.8
249M36.4Very low38.6Very low173 Ų173140 Ų14085%0.85276%0.762SS**  trans-87.6120.9170.4-166.416767.300109.4S247 I251S247-M249 PolarHBondContact O-N 3.42Å; M249-I251 PolarHBondContact O-N 3.19Å
250H33.5Very low38.5Very low192 Ų192141 Ų14189%0.88976%0.762SS**  trans-51112.1177.2-119.3-92.7000111.4
251I34.3Very low38.4Very low128 Ų128141.3 Ų141.366%0.65676%0.758SS**  trans-94.2116.1172-68.6169000108.5M249M249-I251 PolarHBondContact O-N 3.19Å
252S32.8Very low38.5Very low105 Ų105140.4 Ų140.473%0.73476%0.756SS**  trans-74.8122.9172.3-177.90000110.5H254S252-H254 VanDerWaalsContact C-N 3.34Å; S252-H254 PolarHBondContact O-N 3.4Å
253Y39.6Very low38.7Very low203 Ų203144.2 Ų144.280%0.79676%0.756SS**SBendtrans-7571.5-178.5-77.6-96000112.3
254H42.7Very low39Very low177 Ų177143.8 Ų143.882%0.81974%0.744SS**SBendtrans-138.113.1170.3-96.4-15000117S252S252-H254 VanDerWaalsContact C-N 3.34Å; S252-H254 PolarHBondContact O-N 3.4Å
255K38.6Very low39.3Very low189 Ų189143.6 Ų143.682%0.82274%0.739SS**SBendtrans-131.513.5173.9-76.6-170.4176.6-177.40116.7
256L41.2Very low39.8Very low129 Ų129137.9 Ų137.968%0.67572%0.722SS**SBendtrans-96.3-4.3177.8-100.2135000115.3
257L39.1Very low40.1Very low147 Ų147138.8 Ų138.877%0.7772%0.718SS**Hα-helixtrans-82.2-17.3178.9-133.581.3000114.2
258T42.6Very low40.6Very low117 Ų117138.3 Ų138.372%0.71872%0.715SS**Hα-helixtrans-84.8-22-175-37.20000113.3
259V42.7Very low40.9Very low103 Ų103138.7 Ų138.762%0.62471%0.709SS**Hα-helixtrans-85.8-24.8-178.4-176.20000112.1
260F40.6Very low41.3Very low163 Ų163136.8 Ų136.872%0.71570%0.701SS**Hα-helixtrans-77.6-23.1-176.8-125.5-93.8000114.4
261L39.2Very low41.9Very low129 Ų129136.7 Ų136.768%0.67570%0.701SS**Hα-helixtrans-82-13.5177.5-89.5147.2000113.9
262C40.7Very low42.3Very low92 Ų92135.6 Ų135.662%0.62270%0.704SS**Hα-helixtrans-79.1-25.7177.2-156.90000112.5
263Y41.1Very low42.6Very low178 Ų178136.2 Ų136.270%0.69870%0.704SS**Hα-helixtrans-81.8-23.2-177.3-107.3-90.9000114.7
264M46.7Very low42.5Very low115 Ų115134.6 Ų134.657%0.56771%0.709SS**Hα-helixtrans-83.4-19-177.6-69.3-67.298.600114.1I267M264-I267 HydrophobicContact CE-CD1 4.07Å
265N44.3Very low42.5Very low123 Ų123139.1 Ų139.166%0.65873%0.73SS**Hα-helixtrans-86.4-10.7177-87.7-19.5000114.5
266V47.8Very low42.7Very low96 Ų96136.6 Ų136.658%0.58273%0.726SS**Hα-helixtrans-85.1-25.7177.8-176.70000111.8
267I45.6Very low42.8Very low115 Ų115137 Ų13759%0.5973%0.728SS**Hα-helixtrans-79.6-27.7-177.3-59.5179.4000111.8M264 L269M264-I267 HydrophobicContact CE-CD1 4.07Å; I267-L269 VanDerWaalsContact C-N 3.33Å; I267-L269 PolarHBondContact O-N 2.99Å
268S45.1Very low43Very low99 Ų99136.4 Ų136.469%0.69273%0.726SS**THydrogen-bonded Turntrans-80.4-7.8-177.8-1500000114.9
269L44.1Very low43Very low140 Ų140137.6 Ų137.673%0.73373%0.727SS**THydrogen-bonded Turntrans-92.7-8179.6-107.3100.8000114.9I267I267-L269 VanDerWaalsContact C-N 3.33Å; I267-L269 PolarHBondContact O-N 2.99Å
270I46.4Very low43.1Very low133 Ų133139.8 Ų139.868%0.68273%0.733SS**SBendtrans-93.3-6.2-174.8-60.6175.5000112.6
271Q44.2Very low43.2Very low190 Ų190138.2 Ų138.289%0.88873%0.734SS**SBendtrans-107.416.2-177.2-73.9-165.5-42.100116.4
272S44.2Very low43.5Very low104 Ų104138.9 Ų138.973%0.72774%0.738SS**SBendtrans-123.334.8175.594.50000115.8
273T38.5Very low43.7Very low119 Ų119142.5 Ų142.573%0.7375%0.747SS**  trans-134.969.5166.961.60000110.6
274N38.2Very low44Very low168 Ų168139.5 Ų139.590%0.89875%0.751SS**  trans-130.891.6153.9-88.5-17000104.8
275E42.6Very low43.7Very low272 Ų272141.7 Ų141.7100%1.27177%0.768SS**  trans-77.20158-74-174.916900109.4

Retrieved 275 of 275 residues in 85.6 ms (Link to these results)

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