A0A3Q0KBU0_SCHMA Loading...

Mitogen-activated protein kinase kinase kinase kinase

Serine/threonine kinase that plays a role in the response to environmental stress. Appears to act upstream of the JUN N-terminal pathway.

AlphaFold DB , UniProt , Accession A0A3Q0KBU0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,199 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
1M41.6Very low73.1Confident197 Ų19789.3 Ų89.397%0.9743%0.432SS*.  0129.80-67.3174176.600108.3
2N59.4Low73.9Confident140 Ų14088 Ų8875%0.74942%0.423SS*.  trans-85.7136.2171.7-66.14.1000108.2
3H64.7Low75.1Confident63 Ų6382.6 Ų82.629%0.29240%0.399SS..  trans-135.7126.1-179.7178.4-82.4000107.5K5 L6 D7 L57H3-K5 PolarHBondContact ND1-N 2.93Å; H3-K5 PolarHBondContact O-N 3.43Å; H3-L6 HydrophobicContact CB-CD1 4.39Å; H3-L6 WeakPolarHBondContact O-CA 3.38Å; H3-L6 WeakPolarHBondContact O-CB 3.48Å; H3-L6 PolarHBondContact O-N 3.26Å; H3-D7 PolarHBondContact N-OD2 3.18Å; H3-D7 VanDerWaalsContact N-OD2 3.17Å; H3-D7 PolarHBondContact O-N 3.03Å; H3-D7 VanDerWaalsContact O-N 3.1Å; H3-D7 VanDerWaalsContact O-OD2 3.11Å; H3-L57 HydrophobicContact CB-CD2 4.37Å
4P73.2Confident76.2Confident101 Ų10182.1 Ų82.166%0.65639%0.394SS*.Hα-helixtrans-60-28.2-161.919.7-32.8000114.4D7 Y8P4-D7 PolarHBondContact O-N 3.48Å; P4-Y8 PolarHBondContact O-N 3.43Å
5K70.1Confident77Confident78 Ų7884.5 Ų84.534%0.33942%0.419SS..Hα-helixtrans-59.9-44169.6-80-170.2168.2-167.10113.1H3 L9 L57 D59 I61H3-K5 PolarHBondContact ND1-N 2.93Å; H3-K5 PolarHBondContact O-N 3.43Å; K5-L9 PolarHBondContact O-N 3.35Å; K5-L57 PolarHBondContact NZ-O 3.19Å; K5-D59 PolarHBondContact NZ-O 3.18Å; K5-I61 HydrophobicContact CB-CG1 3.89Å; K5-I61 HydrophobicContact CD-CG1 4.18Å; K5-I61 HydrophobicContact CG-CG1 4.34Å
6L77.3Confident77.6Confident8 Ų884.9 Ų84.94%0.04242%0.423CS..Hα-helixtrans-74.5-36.1179.5-62.9175.7000110.7H3 Y8 L9 R10 I55 L57 L87 N90H3-L6 HydrophobicContact CB-CD1 4.39Å; H3-L6 WeakPolarHBondContact O-CA 3.38Å; H3-L6 WeakPolarHBondContact O-CB 3.48Å; H3-L6 PolarHBondContact O-N 3.26Å; L6-Y8 PolarHBondContact O-N 2.8Å; L6-L9 WeakPolarHBondContact O-CA 3.24Å; L6-L9 WeakPolarHBondContact O-CB 3.33Å; L6-L9 PolarHBondContact O-N 2.85Å; L6-R10 WeakPolarHBondContact O-CG 3.35Å; L6-R10 PolarHBondContact O-N 3.5Å; L6-I55 HydrophobicContact CD2-CG2 4.08Å; L6-L57 HydrophobicContact CD1-CD2 4.27Å; L6-L87 HydrophobicContact CB-CD2 4.41Å; L6-L87 HydrophobicContact CD2-CD2 4.46Å; L6-N90 WeakPolarHBondContact CD1-OD1 3.32Å
7D81Confident78.2Confident49 Ų4982 Ų8226%0.26241%0.41SS..Hα-helixtrans-67.5-26.5176.6-53.5-44.6000112.2H3 P4 Q11H3-D7 PolarHBondContact N-OD2 3.18Å; H3-D7 VanDerWaalsContact N-OD2 3.17Å; H3-D7 PolarHBondContact O-N 3.03Å; H3-D7 VanDerWaalsContact O-N 3.1Å; H3-D7 VanDerWaalsContact O-OD2 3.11Å; P4-D7 PolarHBondContact O-N 3.48Å; D7-Q11 PolarHBondContact O-NE2 3.27Å
8Y82.3Confident78.8Confident92 Ų9277.4 Ų77.436%0.36139%0.387SS..Hα-helixtrans-69-45.6165.4-178.3-105.7000112.1P4 L6 R10 Q11 F12 I61 R62 C65P4-Y8 PolarHBondContact O-N 3.43Å; L6-Y8 PolarHBondContact O-N 2.8Å; Y8-R10 VanDerWaalsContact C-N 3.25Å; Y8-R10 PolarHBondContact O-N 3.3Å; Y8-Q11 WeakPolarHBondContact O-CB 3.32Å; Y8-Q11 PolarHBondContact O-N 2.96Å; Y8-Q11 VanDerWaalsContact O-N 3.09Å; Y8-F12 HydrophobicContact CD1-CE2 4.43Å; Y8-F12 HydrophobicContact CD2-CE2 4.41Å; Y8-F12 AromaticContact CE1-CE2 3.92Å; Y8-F12 HydrophobicContact CE1-CE2 3.92Å; Y8-F12 AromaticContact CE2-CE2 3.9Å; Y8-F12 HydrophobicContact CE2-CE2 3.9Å; Y8-F12 HydrophobicContact CE2-CZ 4.44Å; Y8-F12 AromaticContact CZ-CE2 3.63Å; Y8-F12 WeakPolarHBondContact O-CD2 2.95Å; Y8-I61 HydrophobicContact CD1-CG2 4.05Å; Y8-R62 HydrophobicContact CE1-CG 4.1Å; Y8-C65 HydrophobicContact CE1-CB 4.5Å
9L83.3Confident79.4Confident0 Ų078.9 Ų78.90%039%0.39CS..Hα-helixtrans-59.7-35.4175.9-173.854.5000112.4K5 L6 Q11 F12 I61 I64 I68 L87K5-L9 PolarHBondContact O-N 3.35Å; L6-L9 WeakPolarHBondContact O-CA 3.24Å; L6-L9 WeakPolarHBondContact O-CB 3.33Å; L6-L9 PolarHBondContact O-N 2.85Å; L9-Q11 PolarHBondContact O-N 3.4Å; L9-F12 PolarHBondContact O-N 3.06Å; L9-I61 HydrophobicContact CB-CG2 3.68Å; L9-I61 HydrophobicContact CD1-CG2 4.2Å; L9-I61 HydrophobicContact CD2-CG2 4.48Å; L9-I61 HydrophobicContact CG-CG2 4.33Å; L9-I64 HydrophobicContact CD1-CG2 3.93Å; L9-I64 HydrophobicContact CD2-CG2 4.46Å; L9-I68 HydrophobicContact CD1-CD1 3.87Å; L9-L87 HydrophobicContact CB-CD2 4.06Å; L9-L87 HydrophobicContact CD2-CD1 3.87Å; L9-L87 HydrophobicContact CD2-CD2 3.91Å; L9-L87 HydrophobicContact CD2-CG 4.44Å; L9-L87 HydrophobicContact CG-CD2 4Å
10R86.1Confident80Confident112 Ų11282 Ų8242%0.42340%0.404SS..THydrogen-bonded Turntrans-56.9-20.2175.5-73.2-171.9-172.9-63.5-5114.2L6 Y8 F12 L87L6-R10 WeakPolarHBondContact O-CG 3.35Å; L6-R10 PolarHBondContact O-N 3.5Å; Y8-R10 VanDerWaalsContact C-N 3.25Å; Y8-R10 PolarHBondContact O-N 3.3Å; R10-F12 VanDerWaalsContact C-N 3.35Å; R10-L87 HydrophobicContact CG-CD2 3.9Å; R10-L87 PolarHBondContact NH1-O 3.02Å
11Q84.7Confident80.6Confident142 Ų14279.7 Ų79.766%0.66439%0.392SS*.THydrogen-bonded Turntrans-80.4-15.5179.3-58.5169.723.700113D7 Y8 L9D7-Q11 PolarHBondContact O-NE2 3.27Å; Y8-Q11 WeakPolarHBondContact O-CB 3.32Å; Y8-Q11 PolarHBondContact O-N 2.96Å; Y8-Q11 VanDerWaalsContact O-N 3.09Å; L9-Q11 PolarHBondContact O-N 3.4Å
12F83Confident83.1Confident74 Ų7470.4 Ų70.433%0.32535%0.346SS..THydrogen-bonded Turntrans-107.7-10.7-175.5-67.9-95.2000113.9Y8 L9 R10 C65Y8-F12 HydrophobicContact CD1-CE2 4.43Å; Y8-F12 HydrophobicContact CD2-CE2 4.41Å; Y8-F12 AromaticContact CE1-CE2 3.92Å; Y8-F12 HydrophobicContact CE1-CE2 3.92Å; Y8-F12 AromaticContact CE2-CE2 3.9Å; Y8-F12 HydrophobicContact CE2-CE2 3.9Å; Y8-F12 HydrophobicContact CE2-CZ 4.44Å; Y8-F12 AromaticContact CZ-CE2 3.63Å; Y8-F12 WeakPolarHBondContact O-CD2 2.95Å; L9-F12 PolarHBondContact O-N 3.06Å; R10-F12 VanDerWaalsContact C-N 3.35Å; F12-C65 HydrophobicContact CD1-CB 4.04Å; F12-C65 HydrophobicContact CD2-CB 4Å; F12-C65 WeakPolarHBondContact CD2-SG 3.31Å; F12-C65 HydrophobicContact CE1-CB 4.25Å; F12-C65 HydrophobicContact CE2-CB 4.23Å; F12-C65 HydrophobicContact CG-CB 3.91Å; F12-C65 HydrophobicContact CZ-CB 4.35Å
13V89Confident84.7Confident18 Ų1864.1 Ų64.111%0.10931%0.312CS..SBendtrans-107.9164.4-179.7-61.20000111.2I68 S85 L87 L92V13-I68 HydrophobicContact CG1-CD1 4.05Å; V13-S85 WeakPolarHBondContact CB-O 3.3Å; V13-L87 HydrophobicContact CG2-CB 3.91Å; V13-L92 HydrophobicContact CG1-CD1 3.92Å
14K91.2Very high86.1Confident75 Ų7563 Ų6333%0.32631%0.308SS..BIsolated β-bridgetrans-67.7144.7166.6-76.8173.3165.3-173.70110.4E21 S85 Y86K14-E21 WeakPolarHBondContact CD-OE1 3.24Å; K14-E21 IonicContact NZ-OE1 2.68Å; K14-E21 PolarHBondContact NZ-OE1 2.72Å; K14-E21 IonicContact NZ-OE2 2.76Å; K14-E21 PolarHBondContact NZ-OE2 3.43Å; K14-S85 PolarHBondContact N-O 3.04Å; K14-Y86 HydrophobicContact CB-CD1 3.71Å; K14-Y86 HydrophobicContact CB-CE1 3.6Å; K14-Y86 HydrophobicContact CB-CG 4.48Å; K14-Y86 HydrophobicContact CD-CD1 4.38Å; K14-Y86 HydrophobicContact CD-CE1 3.48Å; K14-Y86 VanDerWaalsContact CD-CE1 3.48Å; K14-Y86 HydrophobicContact CD-CE2 4.34Å; K14-Y86 VanDerWaalsContact CD-CZ 3.42Å; K14-Y86 WeakPolarHBondContact CD-OH 3.39Å; K14-Y86 HydrophobicContact CG-CE1 4.21Å; K14-Y86 PolarHBondContact NZ-OH 2.7Å
15P87.4Confident86.9Confident119 Ų11959.1 Ų59.177%0.77328%0.282SS*.SBendtrans-82.5-19.6-178.232.7-35.3000114.1
16N87.1Confident87.9Confident91 Ų9157 Ų5749%0.48728%0.279SS..SBendtrans-65.3162.1-177.6-59.812.4000111.7Y86N16-Y86 WeakPolarHBondContact O-CD1 3.16Å
17D87.3Confident88.5Confident35 Ų3559.4 Ų59.419%0.18730%0.295CS..  trans-73.6129.4166.7-162.2-54.2000109.2K19 E20 R88D17-K19 PolarHBondContact O-N 3.12Å; D17-K19 VanDerWaalsContact O-N 3.12Å; D17-K19 WeakPolarHBondContact OD1-CB 3.18Å; D17-K19 PolarHBondContact OD1-N 3.17Å; D17-K19 VanDerWaalsContact OD1-N 3.1Å; D17-E20 HydrophobicContact CB-CG 4.2Å; D17-E20 WeakPolarHBondContact O-CB 3.47Å; D17-E20 PolarHBondContact O-N 3.27Å; D17-E20 VanDerWaalsContact O-N 3.14Å; D17-R88 IonicContact OD2-CZ 3.83Å; D17-R88 IonicContact OD2-NE 3.7Å; D17-R88 PolarHBondContact OD2-NE 3.27Å; D17-R88 IonicContact OD2-NH2 3Å; D17-R88 PolarHBondContact OD2-NH2 3.44Å
18P90.4Very high88.8Confident0 Ų060.7 Ų60.70%030%0.301CS..Hα-helixtrans-59.2-23.118021.6-32.6000113.5E20 E21 Y22 Y86 W93P18-E20 PolarHBondContact O-N 3.4Å; P18-E21 PolarHBondContact O-N 3.04Å; P18-Y22 PolarHBondContact O-N 3.06Å; P18-Y86 HydrophobicContact CB-CD1 4.11Å; P18-Y86 HydrophobicContact CB-CD2 3.9Å; P18-Y86 HydrophobicContact CB-CE2 4.45Å; P18-Y86 HydrophobicContact CB-CG 3.77Å; P18-Y86 HydrophobicContact CG-CG 4.29Å; P18-W93 HydrophobicContact CB-CD2 3.92Å; P18-W93 HydrophobicContact CB-CE3 3.54Å; P18-W93 HydrophobicContact CB-CG 4.34Å; P18-W93 HydrophobicContact CB-CZ3 4.08Å; P18-W93 HydrophobicContact CG-CB 4.48Å; P18-W93 HydrophobicContact CG-CD2 3.49Å; P18-W93 VanDerWaalsContact CG-CD2 3.49Å; P18-W93 HydrophobicContact CG-CE3 3.59Å; P18-W93 HydrophobicContact CG-CG 3.88Å; P18-W93 HydrophobicContact CG-CH2 4.43Å; P18-W93 HydrophobicContact CG-CZ2 4.33Å; P18-W93 HydrophobicContact CG-CZ3 4.06Å
19K90.2Very high88.4Confident105 Ų10558.1 Ų58.146%0.45730%0.302SS..Hα-helixtrans-66.8-20.5177.9-67.8-166.2169.7-149.20114.5D17 Y22 R42 E612D17-K19 PolarHBondContact O-N 3.12Å; D17-K19 VanDerWaalsContact O-N 3.12Å; D17-K19 WeakPolarHBondContact OD1-CB 3.18Å; D17-K19 PolarHBondContact OD1-N 3.17Å; D17-K19 VanDerWaalsContact OD1-N 3.1Å; K19-Y22 CarbonylContact C-O 3.51Å; K19-Y22 WeakPolarHBondContact CA-O 3.36Å; K19-R42 PolarHBondContact O-NE 3.17Å; K19-E612 IonicContact NZ-OE1 2.85Å
20E90.8Very high87.9Confident141 Ų14162.1 Ų62.166%0.65933%0.33SS*.Hα-helixtrans-73.8-36176-56.1-58.8153.400111.7D17 P18D17-E20 HydrophobicContact CB-CG 4.2Å; D17-E20 WeakPolarHBondContact O-CB 3.47Å; D17-E20 PolarHBondContact O-N 3.27Å; D17-E20 VanDerWaalsContact O-N 3.14Å; P18-E20 PolarHBondContact O-N 3.4Å
21E92Very high86.8Confident33 Ų3359 Ų5915%0.15433%0.334CS..Hα-helixtrans-91.5-28.8178.5-71-172.7-107.400112.6K14 P18 H41 R42 Y86K14-E21 WeakPolarHBondContact CD-OE1 3.24Å; K14-E21 IonicContact NZ-OE1 2.68Å; K14-E21 PolarHBondContact NZ-OE1 2.72Å; K14-E21 IonicContact NZ-OE2 2.76Å; K14-E21 PolarHBondContact NZ-OE2 3.43Å; P18-E21 PolarHBondContact O-N 3.04Å; E21-H41 CarbonylContact O-C 3.58Å; E21-H41 WeakPolarHBondContact O-CA 3.49Å; E21-R42 PolarHBondContact O-N 2.85Å; E21-Y86 VanDerWaalsContact OE1-CE1 3.28Å; E21-Y86 WeakPolarHBondContact OE1-CE1 3.29Å; E21-Y86 PolarHBondContact OE1-OH 2.97Å; E21-Y86 PolarHBondContact OE2-OH 3.31Å
22Y94Very high85.6Confident3 Ų358.1 Ų58.11%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-130.7146.2-172.5-56.9-81.2000113.5P18 K19 V40 H41 V48 Y86 C95P18-Y22 PolarHBondContact O-N 3.06Å; K19-Y22 CarbonylContact C-O 3.51Å; K19-Y22 WeakPolarHBondContact CA-O 3.36Å; Y22-V40 WeakPolarHBondContact CA-O 3.43Å; Y22-H41 HydrophobicContact CD1-CB 4.04Å; Y22-H41 HydrophobicContact CE1-CB 3.88Å; Y22-H41 AromaticContact CE1-CD2 3.41Å; Y22-H41 VanDerWaalsContact CE1-CD2 3.41Å; Y22-H41 WeakPolarHBondContact CE1-CD2 3.37Å; Y22-H41 AromaticContact CE1-CG 3.87Å; Y22-H41 AromaticContact CZ-CD2 3.68Å; Y22-V48 HydrophobicContact CD1-CG2 3.56Å; Y22-V48 HydrophobicContact CE1-CB 4.45Å; Y22-V48 HydrophobicContact CE1-CG1 4.18Å; Y22-V48 HydrophobicContact CE1-CG2 3.77Å; Y22-Y86 HydrophobicContact CD2-CE2 4.42Å; Y22-Y86 AromaticContact CE2-CE2 3.82Å; Y22-Y86 HydrophobicContact CE2-CE2 3.82Å; Y22-Y86 AromaticContact CE2-CZ 3.87Å; Y22-Y86 WeakPolarHBondContact CE2-OH 3.4Å; Y22-C95 HydrophobicContact CE1-CB 4.09Å; Y22-C95 HydrophobicContact CE2-CB 3.87Å; Y22-C95 WeakPolarHBondContact CE2-SG 3.46Å
23K94.1Very high84.6Confident8 Ų858 Ų584%0.03534%0.336CS..EExtended strand (participates in β ladder)trans-114.7123170.5-179.7-175.5176.1-179.70109.6L25 A39 V40 R42 S605 D609K23-L25 HydrophobicContact CD-CD2 4.49Å; K23-A39 CarbonylContact O-C 3.56Å; K23-A39 WeakPolarHBondContact O-CA 3.34Å; K23-A39 WeakPolarHBondContact O-CB 3.45Å; K23-V40 PolarHBondContact N-O 3.36Å; K23-V40 PolarHBondContact O-N 3.14Å; K23-R42 HydrophobicContact CB-CG 4.35Å; K23-S605 PolarHBondContact NZ-O 2.76Å; K23-S605 PolarHBondContact NZ-OG 3.46Å; K23-D609 WeakPolarHBondContact CD-OD1 3.5Å; K23-D609 WeakPolarHBondContact CE-OD1 3.34Å; K23-D609 IonicContact NZ-OD1 3.58Å; K23-D609 PolarHBondContact NZ-OD1 3.27Å
24I93.1Very high83.8Confident38 Ų3857.8 Ų57.820%0.19534%0.337CS..EExtended strand (participates in β ladder)trans-71.8136.7173.9-58.4-53.8000109.5F37 A39 V50 W93I24-F37 HydrophobicContact CD1-CB 4Å; I24-F37 HydrophobicContact CD1-CG 4.45Å; I24-F37 HydrophobicContact CG2-CB 3.99Å; I24-F37 HydrophobicContact CG2-CD1 3.78Å; I24-F37 HydrophobicContact CG2-CG 4.11Å; I24-A39 HydrophobicContact CD1-CB 3.95Å; I24-V50 HydrophobicContact CD1-CB 4.21Å; I24-V50 HydrophobicContact CD1-CG1 4.34Å; I24-V50 HydrophobicContact CD1-CG2 4.3Å; I24-W93 HydrophobicContact CD1-CH2 4.49Å; I24-W93 HydrophobicContact CD1-CZ3 3.98Å; I24-W93 HydrophobicContact CG1-CH2 4.4Å; I24-W93 HydrophobicContact CG1-CZ3 4.32Å
25L91.1Very high83.5Confident20 Ų2056.3 Ų56.311%0.10533%0.333CS..EExtended strand (participates in β ladder)trans-105.3-54.2173.8-63.2-173.8000111.7K23 K38 V40 L47K23-L25 HydrophobicContact CD-CD2 4.49Å; L25-K38 HydrophobicContact CD1-CG 4.45Å; L25-K38 PolarHBondContact N-O 2.95Å; L25-V40 HydrophobicContact CD1-CG2 3.78Å; L25-V40 HydrophobicContact CD2-CG2 4.45Å; L25-V40 HydrophobicContact CG-CG2 4.22Å; L25-L47 HydrophobicContact CD1-CD2 4.06Å
26A90.6Very high83.6Confident35 Ų3552.3 Ų52.329%0.28931%0.306SS..EExtended strand (participates in β ladder)trans-156.6151.5-175.200000112.1F37 K38A26-F37 CarbonylContact O-C 3.55Å; A26-F37 VanDerWaalsContact O-CA 3.3Å; A26-F37 WeakPolarHBondContact O-CA 3.48Å; A26-K38 PolarHBondContact N-O 3.47Å; A26-K38 PolarHBondContact O-N 2.76Å
27P89.2Confident83.9Confident57 Ų5750.4 Ų50.437%0.3729%0.294SS..EExtended strand (participates in β ladder)trans-65.9140.8163.329.9-33.4000110.1F37 I744P27-F37 HydrophobicContact CB-CD1 4.07Å; P27-F37 HydrophobicContact CB-CE1 4.05Å; P27-I744 HydrophobicContact CG-CG1 4.34Å; P27-I744 HydrophobicContact CG-CG2 4.49Å
28I87.2Confident84.3Confident76 Ų7649.4 Ų49.439%0.3929%0.288SS..EExtended strand (participates in β ladder)trans-127.1-8.217958.7175000114.2V36 K38 A49 Y98I28-V36 HydrophobicContact CD1-CG1 4.04Å; I28-V36 HydrophobicContact CG1-CB 4.26Å; I28-V36 HydrophobicContact CG1-CG1 3.94Å; I28-V36 WeakPolarHBondContact CG1-O 3.44Å; I28-V36 PolarHBondContact N-O 2.17Å; I28-K38 HydrophobicContact CD1-CB 4.28Å; I28-K38 HydrophobicContact CG2-CB 3.59Å; I28-A49 HydrophobicContact CD1-CB 4.47Å; I28-Y98 HydrophobicContact CD1-CD2 4.07Å; I28-Y98 HydrophobicContact CD1-CE2 3.81Å
29G75Confident84.6Confident38 Ų3849.4 Ų49.439%0.39229%0.288SS..EExtended strand (participates in β ladder)trans-179.7161.2172.700000111.9V36G29-V36 PolarHBondContact N-O 3.13Å; G29-V36 PolarHBondContact O-N 2.99Å
30S71.8Confident84.8Confident84 Ų8445.7 Ų45.759%0.58727%0.274SS*.EExtended strand (participates in β ladder)trans-133.6132.2173.1550000109.7D35S30-D35 WeakPolarHBondContact CB-OD1 3.34Å
31G63.5Low85Confident48 Ų4839.2 Ų39.250%0.49524%0.243SC..EExtended strand (participates in β ladder)trans-125.9172.7-176.300000112.3Y33 G34G31-Y33 PolarHBondContact O-N 3.33Å; G31-G34 PolarHBondContact N-O 3.21Å; G31-G34 PolarHBondContact O-N 3.05Å; G31-G34 VanDerWaalsContact O-N 3.12Å
32T58.9Low85Confident122 Ų12241.9 Ų41.975%0.74825%0.252SS*.THydrogen-bonded Turntrans-60.4-7178.140.30000115
33Y63.4Low84.9Confident72 Ų7248.5 Ų48.528%0.28228%0.283SS..THydrogen-bonded Turntrans-115.4-12.2-179.1-51.3-61.9000113.6G31 M53 A165G31-Y33 PolarHBondContact O-N 3.33Å; Y33-M53 WeakPolarHBondContact O-CA 3.14Å; Y33-M53 WeakPolarHBondContact O-CB 3.38Å; Y33-M53 WeakPolarHBondContact O-CG 3.32Å; Y33-A165 HydrophobicContact CE1-CB 4.27Å; Y33-A165 HydrophobicContact CE2-CB 3.64Å; Y33-A165 VanDerWaalsContact CZ-CA 3.49Å; Y33-A165 VanDerWaalsContact CZ-CB 3.43Å; Y33-A165 WeakPolarHBondContact OH-CA 3.23Å; Y33-A165 WeakPolarHBondContact OH-CB 3.41Å
34G72.1Confident84.7Confident14 Ų1454.6 Ų54.614%0.14431%0.306CS..EExtended strand (participates in β ladder)trans147.9179.4-177.500000113.5G31 V52G31-G34 PolarHBondContact N-O 3.21Å; G31-G34 PolarHBondContact O-N 3.05Å; G31-G34 VanDerWaalsContact O-N 3.12Å; G34-V52 WeakPolarHBondContact CA-O 3.31Å
35D84.4Confident84.6Confident44 Ų4463.2 Ų63.224%0.23534%0.336CS..EExtended strand (participates in β ladder)trans-89.7149.3-177.6-51.6-72.4000111.3S30 F37 K51 V52 N742S30-D35 WeakPolarHBondContact CB-OD1 3.34Å; D35-F37 HydrophobicContact CB-CE2 3.69Å; D35-F37 HydrophobicContact CB-CZ 3.92Å; D35-K51 CarbonylContact O-C 3.43Å; D35-K51 WeakPolarHBondContact O-CA 3.25Å; D35-V52 PolarHBondContact N-O 3.39Å; D35-V52 PolarHBondContact O-N 3.28Å; D35-N742 PolarHBondContact OD1-ND2 2.75Å
36V89.7Confident84.7Confident34 Ų3465.3 Ų65.321%0.20635%0.35CS..EExtended strand (participates in β ladder)trans-120.1130.3179.1-169.70000109.5I28 G29 A49 V50 K51I28-V36 HydrophobicContact CD1-CG1 4.04Å; I28-V36 HydrophobicContact CG1-CB 4.26Å; I28-V36 HydrophobicContact CG1-CG1 3.94Å; I28-V36 WeakPolarHBondContact CG1-O 3.44Å; I28-V36 PolarHBondContact N-O 2.17Å; G29-V36 PolarHBondContact N-O 3.13Å; G29-V36 PolarHBondContact O-N 2.99Å; V36-A49 HydrophobicContact CG1-CB 4.33Å; V36-V50 WeakPolarHBondContact CA-O 3.15Å; V36-K51 HydrophobicContact CG2-CB 4.35Å; V36-K51 HydrophobicContact CG2-CG 4.11Å
37F93.6Very high84.9Confident51 Ų5166.6 Ų66.622%0.22435%0.351CS..EExtended strand (participates in β ladder)trans-119.6141.3-177.3-59.3-92.4000111.6I24 A26 P27 D35 A49 V50 V52I24-F37 HydrophobicContact CD1-CB 4Å; I24-F37 HydrophobicContact CD1-CG 4.45Å; I24-F37 HydrophobicContact CG2-CB 3.99Å; I24-F37 HydrophobicContact CG2-CD1 3.78Å; I24-F37 HydrophobicContact CG2-CG 4.11Å; A26-F37 CarbonylContact O-C 3.55Å; A26-F37 VanDerWaalsContact O-CA 3.3Å; A26-F37 WeakPolarHBondContact O-CA 3.48Å; P27-F37 HydrophobicContact CB-CD1 4.07Å; P27-F37 HydrophobicContact CB-CE1 4.05Å; D35-F37 HydrophobicContact CB-CE2 3.69Å; D35-F37 HydrophobicContact CB-CZ 3.92Å; F37-A49 CarbonylContact O-C 3.47Å; F37-A49 WeakPolarHBondContact O-CA 3.39Å; F37-V50 PolarHBondContact N-O 3.23Å; F37-V50 PolarHBondContact O-N 3.39Å; F37-V52 HydrophobicContact CD2-CG2 3.93Å; F37-V52 HydrophobicContact CE2-CB 4.19Å; F37-V52 HydrophobicContact CE2-CG2 3.93Å
38K95.3Very high85.2Confident14 Ų1463.9 Ų63.96%0.06133%0.334CS..EExtended strand (participates in β ladder)trans-74.9134.3160.7179.8174.2-178.9171.70108.5L25 A26 I28 L47 Y98 E601L25-K38 HydrophobicContact CD1-CG 4.45Å; L25-K38 PolarHBondContact N-O 2.95Å; A26-K38 PolarHBondContact N-O 3.47Å; A26-K38 PolarHBondContact O-N 2.76Å; I28-K38 HydrophobicContact CD1-CB 4.28Å; I28-K38 HydrophobicContact CG2-CB 3.59Å; K38-L47 HydrophobicContact CD-CD2 4.44Å; K38-L47 HydrophobicContact CG-CD2 4.22Å; K38-Y98 HydrophobicContact CB-CD2 4.38Å; K38-Y98 HydrophobicContact CB-CE2 4.04Å; K38-Y98 HydrophobicContact CD-CD2 4.47Å; K38-Y98 HydrophobicContact CD-CE1 4.47Å; K38-Y98 HydrophobicContact CD-CE2 3.79Å; K38-Y98 HydrophobicContact CG-CD2 4.1Å; K38-Y98 HydrophobicContact CG-CE2 3.84Å; K38-E601 IonicContact NZ-OE1 2.87Å; K38-E601 PolarHBondContact NZ-OE1 2.99Å; K38-E601 IonicContact NZ-OE2 3.19Å; K38-E601 PolarHBondContact NZ-OE2 2.97Å
39A96.1Very high85.5Confident0 Ų060.7 Ų60.70%032%0.319CS..EExtended strand (participates in β ladder)trans-145.6166.3-176.900000111.3K23 I24 L47 V48 V50K23-A39 CarbonylContact O-C 3.56Å; K23-A39 WeakPolarHBondContact O-CA 3.34Å; K23-A39 WeakPolarHBondContact O-CB 3.45Å; I24-A39 HydrophobicContact CD1-CB 3.95Å; A39-L47 CarbonylContact O-C 3.53Å; A39-L47 WeakPolarHBondContact O-CA 3.38Å; A39-V48 HydrophobicContact CB-CG2 3.79Å; A39-V48 PolarHBondContact N-O 3.21Å; A39-V48 PolarHBondContact O-N 3.13Å; A39-V50 HydrophobicContact CB-CG2 3.67Å
40V96.2Very high86.4Confident28 Ų2858.9 Ų58.917%0.1730%0.3CS..EExtended strand (participates in β ladder)trans-112.8132.8170.9171.60000109.3Y22 K23 L25 R42 L47Y22-V40 WeakPolarHBondContact CA-O 3.43Å; K23-V40 PolarHBondContact N-O 3.36Å; K23-V40 PolarHBondContact O-N 3.14Å; L25-V40 HydrophobicContact CD1-CG2 3.78Å; L25-V40 HydrophobicContact CD2-CG2 4.45Å; L25-V40 HydrophobicContact CG-CG2 4.22Å; V40-R42 PolarHBondContact O-N 3.17Å; V40-L47 HydrophobicContact CG2-CD2 3.92Å
41H94.5Very high87.3Confident4 Ų455.3 Ų55.32%0.01927%0.274CS..EExtended strand (participates in β ladder)trans-73.1113.9166.7-172.1-54.4000109E21 Y22 E43 R44 R45 T46 V48E21-H41 CarbonylContact O-C 3.58Å; E21-H41 WeakPolarHBondContact O-CA 3.49Å; Y22-H41 HydrophobicContact CD1-CB 4.04Å; Y22-H41 HydrophobicContact CE1-CB 3.88Å; Y22-H41 AromaticContact CE1-CD2 3.41Å; Y22-H41 VanDerWaalsContact CE1-CD2 3.41Å; Y22-H41 WeakPolarHBondContact CE1-CD2 3.37Å; Y22-H41 AromaticContact CE1-CG 3.87Å; Y22-H41 AromaticContact CZ-CD2 3.68Å; H41-E43 IonicContact CE1-OE2 2.93Å; H41-E43 PolarHBondContact O-N 3.2Å; H41-R44 PolarHBondContact CD2-NH1 2.93Å; H41-R44 PolarHBondContact NE2-NH1 2.94Å; H41-R44 PolarHBondContact NE2-NH2 2.95Å; H41-R44 PolarHBondContact O-N 3.43Å; H41-R45 WeakPolarHBondContact O-CA 3.38Å; H41-R45 PolarHBondContact O-N 3.05Å; H41-T46 PolarHBondContact N-O 2.79Å; H41-V48 HydrophobicContact CB-CG1 4.12Å
42R91.9Very high88.5Confident90 Ų9053.5 Ų53.534%0.3425%0.253SS..THydrogen-bonded Turntrans-55.2-45.7-167-66.3-170.2-176-89.2-0.8113.1K19 E21 K23 V40 D609 E612K19-R42 PolarHBondContact O-NE 3.17Å; E21-R42 PolarHBondContact O-N 2.85Å; K23-R42 HydrophobicContact CB-CG 4.35Å; V40-R42 PolarHBondContact O-N 3.17Å; R42-D609 IonicContact NH1-OD1 3.37Å; R42-E612 IonicContact CZ-OE2 2.65Å; R42-E612 IonicContact NH2-OE2 3.79Å; R42-E612 PolarHBondContact NH2-OE2 3.23Å
43E90.6Very high89.7Confident141 Ų14148.2 Ų48.266%0.65922%0.22SC*.THydrogen-bonded Turntrans-65-57.9176.3-179.7-166.5-135.400113.3H41 R45H41-E43 IonicContact CE1-OE2 2.93Å; H41-E43 PolarHBondContact O-N 3.2Å; E43-R45 VanDerWaalsContact C-N 3.33Å; E43-R45 PolarHBondContact O-N 3.13Å
44R91.3Very high90.7Very high136 Ų13652 Ų5251%0.51324%0.238SC..THydrogen-bonded Turntrans-80.1-11.6-170.9-58.9-171.2-166.888.139.5114.4H41 T46H41-R44 PolarHBondContact CD2-NH1 2.93Å; H41-R44 PolarHBondContact NE2-NH1 2.94Å; H41-R44 PolarHBondContact NE2-NH2 2.95Å; H41-R44 PolarHBondContact O-N 3.43Å; R44-T46 HydrophobicContact CB-CG2 4.2Å; R44-T46 PolarHBondContact O-N 2.95Å; R44-T46 VanDerWaalsContact O-N 3.07Å
45R91.1Very high91.1Very high220 Ų22052 Ų5283%0.8323%0.234SC*.  trans55.617.4-173.7-55.8-174179.1-163.4-0.3114.8H41 E43H41-R45 WeakPolarHBondContact O-CA 3.38Å; H41-R45 PolarHBondContact O-N 3.05Å; E43-R45 VanDerWaalsContact C-N 3.33Å; E43-R45 PolarHBondContact O-N 3.13Å
46T92.5Very high90.7Very high63 Ų6353 Ų5339%0.38724%0.24SC..  trans-87.7143.6177.852.40000111.6H41 R44H41-T46 PolarHBondContact N-O 2.79Å; R44-T46 HydrophobicContact CB-CG2 4.2Å; R44-T46 PolarHBondContact O-N 2.95Å; R44-T46 VanDerWaalsContact O-N 3.07Å
47L94.8Very high89.9Confident62 Ų6255.4 Ų55.433%0.32525%0.251SS..EExtended strand (participates in β ladder)trans-66.4138.2169.1-69.9175.9000111.4L25 K38 A39 V40 Y98L25-L47 HydrophobicContact CD1-CD2 4.06Å; K38-L47 HydrophobicContact CD-CD2 4.44Å; K38-L47 HydrophobicContact CG-CD2 4.22Å; A39-L47 CarbonylContact O-C 3.53Å; A39-L47 WeakPolarHBondContact O-CA 3.38Å; V40-L47 HydrophobicContact CG2-CD2 3.92Å; L47-Y98 HydrophobicContact CB-CD1 4.08Å; L47-Y98 HydrophobicContact CB-CG 4.18Å; L47-Y98 HydrophobicContact CD1-CD1 4.05Å; L47-Y98 HydrophobicContact CD1-CE1 4.25Å
48V95.9Very high88.8Confident0 Ų059 Ų590%027%0.267CS..EExtended strand (participates in β ladder)trans-138.9155.7178.1-48.40000110.1Y22 A39 H41 V50 Y83 M96Y22-V48 HydrophobicContact CD1-CG2 3.56Å; Y22-V48 HydrophobicContact CE1-CB 4.45Å; Y22-V48 HydrophobicContact CE1-CG1 4.18Å; Y22-V48 HydrophobicContact CE1-CG2 3.77Å; A39-V48 HydrophobicContact CB-CG2 3.79Å; A39-V48 PolarHBondContact N-O 3.21Å; A39-V48 PolarHBondContact O-N 3.13Å; H41-V48 HydrophobicContact CB-CG1 4.12Å; V48-V50 HydrophobicContact CG2-CG2 3.97Å; V48-Y83 HydrophobicContact CB-CD2 4.27Å; V48-Y83 HydrophobicContact CB-CE2 4.09Å; V48-Y83 HydrophobicContact CG1-CD2 3.9Å; V48-Y83 HydrophobicContact CG1-CE2 3.59Å; V48-M96 CarbonylContact C-O 3.5Å; V48-M96 WeakPolarHBondContact CA-O 3.46Å; V48-M96 WeakPolarHBondContact CB-O 3.28Å
49A94.1Very high87.6Confident9 Ų959.6 Ų59.67%0.07427%0.271CS..EExtended strand (participates in β ladder)trans-96.6141166.200000110.1I28 V36 F37 C95 M96I28-A49 HydrophobicContact CD1-CB 4.47Å; V36-A49 HydrophobicContact CG1-CB 4.33Å; F37-A49 CarbonylContact O-C 3.47Å; F37-A49 WeakPolarHBondContact O-CA 3.39Å; A49-C95 WeakPolarHBondContact O-CA 3.37Å; A49-M96 HydrophobicContact CB-CG 3.86Å; A49-M96 PolarHBondContact N-O 3.1Å; A49-M96 PolarHBondContact O-N 3Å
50V93Very high86.5Confident0 Ų061.9 Ų61.90%028%0.283CS..EExtended strand (participates in β ladder)trans-128110.1179.9-178.30000109I24 V36 F37 A39 V48 V52 W93 I94 C95I24-V50 HydrophobicContact CD1-CB 4.21Å; I24-V50 HydrophobicContact CD1-CG1 4.34Å; I24-V50 HydrophobicContact CD1-CG2 4.3Å; V36-V50 WeakPolarHBondContact CA-O 3.15Å; F37-V50 PolarHBondContact N-O 3.23Å; F37-V50 PolarHBondContact O-N 3.39Å; A39-V50 HydrophobicContact CB-CG2 3.67Å; V48-V50 HydrophobicContact CG2-CG2 3.97Å; V50-V52 HydrophobicContact CG1-CG2 3.99Å; V50-W93 HydrophobicContact CG1-CD2 4.3Å; V50-W93 HydrophobicContact CG1-CE3 3.47Å; V50-W93 VanDerWaalsContact CG1-CE3 3.47Å; V50-W93 HydrophobicContact CG1-CZ3 3.98Å; V50-I94 WeakPolarHBondContact CA-O 3.45Å; V50-C95 HydrophobicContact CG2-CB 4.48Å
51K89.8Confident85.7Confident10 Ų1060.8 Ų60.84%0.04328%0.276CS..EExtended strand (participates in β ladder)trans-92.2127.3176.3-172.6175.6-165.9-179.70109.7D35 V36 M53 W93 I94 M96 D161D35-K51 CarbonylContact O-C 3.43Å; D35-K51 WeakPolarHBondContact O-CA 3.25Å; V36-K51 HydrophobicContact CG2-CB 4.35Å; V36-K51 HydrophobicContact CG2-CG 4.11Å; K51-M53 HydrophobicContact CD-SD 4Å; K51-M53 HydrophobicContact CG-CG 4.01Å; K51-M53 HydrophobicContact CG-SD 4.17Å; K51-W93 CarbonylContact O-C 3.57Å; K51-W93 WeakPolarHBondContact O-CA 3.49Å; K51-I94 HydrophobicContact CB-CB 4.45Å; K51-I94 PolarHBondContact N-O 2.9Å; K51-I94 PolarHBondContact O-N 2.94Å; K51-M96 HydrophobicContact CB-CE 3.99Å; K51-D161 IonicContact NZ-OD1 2.79Å; K51-D161 PolarHBondContact NZ-OD1 2.78Å; K51-D161 IonicContact NZ-OD2 3.18Å; K51-D161 PolarHBondContact NZ-OD2 2.93Å
52V89.6Confident84.7Confident10 Ų1068.3 Ų68.36%0.06130%0.304CS..EExtended strand (participates in β ladder)trans-122.1112.3-173.1-175.10000109.9G34 D35 F37 V50 K91 L92 W93G34-V52 WeakPolarHBondContact CA-O 3.31Å; D35-V52 PolarHBondContact N-O 3.39Å; D35-V52 PolarHBondContact O-N 3.28Å; F37-V52 HydrophobicContact CD2-CG2 3.93Å; F37-V52 HydrophobicContact CE2-CB 4.19Å; F37-V52 HydrophobicContact CE2-CG2 3.93Å; V50-V52 HydrophobicContact CG1-CG2 3.99Å; V52-K91 HydrophobicContact CG1-CB 3.9Å; V52-K91 HydrophobicContact CG1-CD 3.83Å; V52-K91 HydrophobicContact CG1-CG 4.33Å; V52-L92 WeakPolarHBondContact CA-O 3.13Å; V52-W93 HydrophobicContact CG2-CD2 3.89Å; V52-W93 HydrophobicContact CG2-CE3 4.18Å; V52-W93 HydrophobicContact CG2-CG 4.21Å; V52-W93 HydrophobicContact CG2-CZ2 4.42Å
53M84.7Confident83.5Confident11 Ų1164.4 Ų64.45%0.05429%0.291CS..EExtended strand (participates in β ladder)trans-119.6126.1-168.4-52.1-165.4-59.500110.8Y33 K51 K91 L92 I94Y33-M53 WeakPolarHBondContact O-CA 3.14Å; Y33-M53 WeakPolarHBondContact O-CB 3.38Å; Y33-M53 WeakPolarHBondContact O-CG 3.32Å; K51-M53 HydrophobicContact CD-SD 4Å; K51-M53 HydrophobicContact CG-CG 4.01Å; K51-M53 HydrophobicContact CG-SD 4.17Å; M53-K91 CarbonylContact O-C 3.51Å; M53-K91 VanDerWaalsContact O-CA 3.31Å; M53-K91 WeakPolarHBondContact O-CA 3.43Å; M53-L92 HydrophobicContact CE-CD2 3.81Å; M53-L92 HydrophobicContact CE-CG 4.39Å; M53-L92 PolarHBondContact N-O 2.56Å; M53-L92 PolarHBondContact O-N 3.22Å; M53-I94 HydrophobicContact CE-CD1 3.61Å; M53-I94 HydrophobicContact CE-CG1 4.43Å
54K83.1Confident82.8Confident151 Ų15157.7 Ų57.766%0.65726%0.259SS*.EExtended strand (participates in β ladder)trans-80.9123.7178.8-173.6175.9-176.2172.20109.8
55I81Confident82.3Confident13 Ų1351.4 Ų51.47%0.06724%0.236CC..PPolyproline II helixtrans-97.8123.5-176.6-51.5-54.3000110.6L6 I61 I64 N90 L92L6-I55 HydrophobicContact CD2-CG2 4.08Å; I55-I61 HydrophobicContact CG2-CD1 3.56Å; I55-I64 HydrophobicContact CD1-CD1 4.08Å; I55-N90 PolarHBondContact N-O 3.08Å; I55-L92 HydrophobicContact CD1-CB 3.92Å; I55-L92 HydrophobicContact CD1-CD2 4.37Å; I55-L92 HydrophobicContact CG1-CB 3.96Å
56D76.4Confident81.3Confident66 Ų6645.4 Ų45.435%0.35322%0.217SC..PPolyproline II helixtrans-90.7148.6172.1-168.3-25.7000109.9K58 D59D56-K58 HydrophobicContact CB-CB 4.44Å; D56-K58 PolarHBondContact O-N 2.46Å; D56-K58 WeakPolarHBondContact OD1-CG 3.31Å; D56-K58 PolarHBondContact OD1-N 2.75Å; D56-K58 VanDerWaalsContact OD1-N 3.15Å; D56-K58 IonicContact OD1-NZ 2.67Å; D56-K58 PolarHBondContact OD1-NZ 3Å; D56-K58 WeakPolarHBondContact OD2-CD 3.27Å; D56-K58 IonicContact OD2-NZ 3.54Å; D56-K58 PolarHBondContact OD2-NZ 3.03Å; D56-D59 PolarHBondContact N-OD2 2.93Å; D56-D59 WeakPolarHBondContact O-CB 3.23Å; D56-D59 PolarHBondContact O-N 2.9Å
57L71.8Confident80.1Confident85 Ų8543.1 Ų43.145%0.44520%0.203SC..THydrogen-bonded Turntrans-61.7-15.5173.5-56.1-177.3000112.4H3 K5 L6H3-L57 HydrophobicContact CB-CD2 4.37Å; K5-L57 PolarHBondContact NZ-O 3.19Å; L6-L57 HydrophobicContact CD1-CD2 4.27Å
58K71.6Confident79.4Confident125 Ų12540.3 Ų40.354%0.54319%0.188SC..THydrogen-bonded Turntrans-74.6-21.7175.4-61.9175.1-156.375.80113.7D56D56-K58 HydrophobicContact CB-CB 4.44Å; D56-K58 PolarHBondContact O-N 2.46Å; D56-K58 WeakPolarHBondContact OD1-CG 3.31Å; D56-K58 PolarHBondContact OD1-N 2.75Å; D56-K58 VanDerWaalsContact OD1-N 3.15Å; D56-K58 IonicContact OD1-NZ 2.67Å; D56-K58 PolarHBondContact OD1-NZ 3Å; D56-K58 WeakPolarHBondContact OD2-CD 3.27Å; D56-K58 IonicContact OD2-NZ 3.54Å; D56-K58 PolarHBondContact OD2-NZ 3.03Å
59D69.4Low78.7Confident27 Ų2744 Ų4414%0.14421%0.205CC..SBendtrans-72.9152.8-170.9-59.5-26.3000113.1K5 D56 I61 I64 L168K5-D59 PolarHBondContact NZ-O 3.18Å; D56-D59 PolarHBondContact N-OD2 2.93Å; D56-D59 WeakPolarHBondContact O-CB 3.23Å; D56-D59 PolarHBondContact O-N 2.9Å; D59-I61 HydrophobicContact CB-CD1 4.41Å; D59-I61 PolarHBondContact O-N 2.87Å; D59-I64 HydrophobicContact CB-CD1 4.28Å; D59-L168 HydrophobicContact CB-CD2 3.95Å
60D72.8Confident77.7Confident48 Ų4844.3 Ų44.326%0.25721%0.206SC..  trans-85.389.9170.3-163.6-15.5000110.6R62 S63 I64D60-R62 PolarHBondContact O-N 2.82Å; D60-R62 WeakPolarHBondContact OD1-CB 3.33Å; D60-R62 IonicContact OD1-CZ 3.77Å; D60-R62 PolarHBondContact OD1-N 3.46Å; D60-R62 IonicContact OD1-NE 3.68Å; D60-R62 PolarHBondContact OD1-NE 3.48Å; D60-R62 VanDerWaalsContact OD1-NE 3.17Å; D60-R62 IonicContact OD1-NH2 3.73Å; D60-R62 IonicContact OD2-CZ 3.73Å; D60-R62 IonicContact OD2-NE 3.82Å; D60-R62 IonicContact OD2-NH2 2.82Å; D60-R62 PolarHBondContact OD2-NH2 3.26Å; D60-S63 WeakPolarHBondContact O-CB 3.4Å; D60-S63 PolarHBondContact O-N 2.94Å; D60-I64 PolarHBondContact O-N 3Å
61I79Confident77Confident6 Ų644.9 Ų44.93%0.03121%0.209CC..Hα-helixtrans-52.3-29177.1-56.9-47.4000113K5 Y8 L9 I55 D59 S63 I64 C65K5-I61 HydrophobicContact CB-CG1 3.89Å; K5-I61 HydrophobicContact CD-CG1 4.18Å; K5-I61 HydrophobicContact CG-CG1 4.34Å; Y8-I61 HydrophobicContact CD1-CG2 4.05Å; L9-I61 HydrophobicContact CB-CG2 3.68Å; L9-I61 HydrophobicContact CD1-CG2 4.2Å; L9-I61 HydrophobicContact CD2-CG2 4.48Å; L9-I61 HydrophobicContact CG-CG2 4.33Å; I55-I61 HydrophobicContact CG2-CD1 3.56Å; D59-I61 HydrophobicContact CB-CD1 4.41Å; D59-I61 PolarHBondContact O-N 2.87Å; I61-S63 VanDerWaalsContact C-N 3.27Å; I61-S63 PolarHBondContact O-N 2.87Å; I61-I64 HydrophobicContact CD1-CD1 3.93Å; I61-I64 PolarHBondContact O-N 2.9Å; I61-C65 PolarHBondContact O-N 2.95Å; I61-C65 PolarHBondContact O-SG 3.45Å; I61-C65 VanDerWaalsContact O-SG 3.32Å
62R73.6Confident76.8Confident162 Ų16252.1 Ų52.161%0.61124%0.236SC*.Hα-helixtrans-66.6-33.2179.1-62.9171.8-60.7161.99.2111.8Y8 D60 Q66Y8-R62 HydrophobicContact CE1-CG 4.1Å; D60-R62 PolarHBondContact O-N 2.82Å; D60-R62 WeakPolarHBondContact OD1-CB 3.33Å; D60-R62 IonicContact OD1-CZ 3.77Å; D60-R62 PolarHBondContact OD1-N 3.46Å; D60-R62 IonicContact OD1-NE 3.68Å; D60-R62 PolarHBondContact OD1-NE 3.48Å; D60-R62 VanDerWaalsContact OD1-NE 3.17Å; D60-R62 IonicContact OD1-NH2 3.73Å; D60-R62 IonicContact OD2-CZ 3.73Å; D60-R62 IonicContact OD2-NE 3.82Å; D60-R62 IonicContact OD2-NH2 2.82Å; D60-R62 PolarHBondContact OD2-NH2 3.26Å; R62-Q66 WeakPolarHBondContact O-CB 3.11Å; R62-Q66 PolarHBondContact O-N 3.33Å
63S66.8Low76.5Confident7 Ų755.6 Ų55.65%0.04925%0.251CS..Hα-helixtrans-66.2-44173.4-174.80000111.1D60 I61 Q66 E67 V164 Q167D60-S63 WeakPolarHBondContact O-CB 3.4Å; D60-S63 PolarHBondContact O-N 2.94Å; I61-S63 VanDerWaalsContact C-N 3.27Å; I61-S63 PolarHBondContact O-N 2.87Å; S63-Q66 CarbonylContact O-C 3.58Å; S63-Q66 WeakPolarHBondContact O-CB 3.45Å; S63-Q66 PolarHBondContact O-N 3.28Å; S63-Q66 VanDerWaalsContact O-N 3.12Å; S63-E67 PolarHBondContact O-N 3.01Å; S63-V164 WeakPolarHBondContact OG-CG2 3.45Å; S63-Q167 WeakPolarHBondContact OG-CB 3.33Å; S63-Q167 PolarHBondContact OG-OE1 3.47Å
64I76.8Confident76.4Confident1 Ų155.1 Ų55.11%0.00525%0.249CC..Hα-helixtrans-62-44.2175.6-65.3159.7000111.3L9 I55 D59 D60 I61 Q66 E67 I68 L92 L168L9-I64 HydrophobicContact CD1-CG2 3.93Å; L9-I64 HydrophobicContact CD2-CG2 4.46Å; I55-I64 HydrophobicContact CD1-CD1 4.08Å; D59-I64 HydrophobicContact CB-CD1 4.28Å; D60-I64 PolarHBondContact O-N 3Å; I61-I64 HydrophobicContact CD1-CD1 3.93Å; I61-I64 PolarHBondContact O-N 2.9Å; I64-Q66 VanDerWaalsContact C-N 3.29Å; I64-Q66 PolarHBondContact O-N 3.4Å; I64-E67 WeakPolarHBondContact O-CB 3.3Å; I64-E67 PolarHBondContact O-N 3.33Å; I64-I68 HydrophobicContact CG2-CD1 4.09Å; I64-I68 WeakPolarHBondContact O-CG1 3.32Å; I64-I68 PolarHBondContact O-N 2.92Å; I64-L92 HydrophobicContact CG2-CD2 3.39Å; I64-L168 HydrophobicContact CD1-CD1 4.35Å; I64-L168 HydrophobicContact CD1-CD2 4.02Å; I64-L168 HydrophobicContact CG1-CD1 4.26Å; I64-L168 HydrophobicContact CG1-CD2 4.14Å; I64-L168 HydrophobicContact CG1-CG 4.49Å
65C80.7Confident76.7Confident4 Ų455.6 Ų55.63%0.02725%0.247CC..Hα-helixtrans-62-37.3173.6-65.80000112.1Y8 F12 I61 H69Y8-C65 HydrophobicContact CE1-CB 4.5Å; F12-C65 HydrophobicContact CD1-CB 4.04Å; F12-C65 HydrophobicContact CD2-CB 4Å; F12-C65 WeakPolarHBondContact CD2-SG 3.31Å; F12-C65 HydrophobicContact CE1-CB 4.25Å; F12-C65 HydrophobicContact CE2-CB 4.23Å; F12-C65 HydrophobicContact CG-CB 3.91Å; F12-C65 HydrophobicContact CZ-CB 4.35Å; I61-C65 PolarHBondContact O-N 2.95Å; I61-C65 PolarHBondContact O-SG 3.45Å; I61-C65 VanDerWaalsContact O-SG 3.32Å; C65-H69 VanDerWaalsContact O-CB 3.26Å; C65-H69 WeakPolarHBondContact O-CB 3.22Å; C65-H69 PolarHBondContact O-N 3.27Å
66Q69.5Low77.4Confident93 Ų9357.2 Ų57.244%0.43525%0.254SS..Hα-helixtrans-69.9-32177.4-172.2170.83.600112.5R62 S63 I64 T70R62-Q66 WeakPolarHBondContact O-CB 3.11Å; R62-Q66 PolarHBondContact O-N 3.33Å; S63-Q66 CarbonylContact O-C 3.58Å; S63-Q66 WeakPolarHBondContact O-CB 3.45Å; S63-Q66 PolarHBondContact O-N 3.28Å; S63-Q66 VanDerWaalsContact O-N 3.12Å; I64-Q66 VanDerWaalsContact C-N 3.29Å; I64-Q66 PolarHBondContact O-N 3.4Å; Q66-T70 VanDerWaalsContact O-CB 3.32Å; Q66-T70 WeakPolarHBondContact O-CB 3.49Å; Q66-T70 PolarHBondContact O-N 3.34Å; Q66-T70 PolarHBondContact O-OG1 3.42Å
67E68.7Low78.3Confident16 Ų1658.5 Ų58.58%0.07527%0.266CS..Hα-helixtrans-66.2-53.4170.5-178.5-168.3-155.600111.3S63 I64 H69 T70 L71 V164S63-E67 PolarHBondContact O-N 3.01Å; I64-E67 WeakPolarHBondContact O-CB 3.3Å; I64-E67 PolarHBondContact O-N 3.33Å; E67-H69 PolarHBondContact O-N 3Å; E67-T70 CarbonylContact O-C 3.43Å; E67-T70 WeakPolarHBondContact O-CA 3.45Å; E67-T70 WeakPolarHBondContact O-CB 3.39Å; E67-T70 PolarHBondContact O-N 3.45Å; E67-L71 HydrophobicContact CG-CD1 3.95Å; E67-L71 HydrophobicContact CG-CG 4.46Å; E67-L71 WeakPolarHBondContact O-CB 3.48Å; E67-L71 PolarHBondContact O-N 2.88Å; E67-V164 HydrophobicContact CB-CB 4.16Å; E67-V164 HydrophobicContact CB-CG2 3.63Å; E67-V164 HydrophobicContact CG-CB 4.12Å; E67-V164 HydrophobicContact CG-CG2 4.16Å
68I79.6Confident79.5Confident3 Ų355 Ų552%0.01525%0.248CC..Hα-helixtrans-55-41.5178.2-66.2164.4000110.8L9 V13 I64 R72 F82 S85 L92L9-I68 HydrophobicContact CD1-CD1 3.87Å; V13-I68 HydrophobicContact CG1-CD1 4.05Å; I64-I68 HydrophobicContact CG2-CD1 4.09Å; I64-I68 WeakPolarHBondContact O-CG1 3.32Å; I64-I68 PolarHBondContact O-N 2.92Å; I68-R72 WeakPolarHBondContact O-CB 3.38Å; I68-R72 PolarHBondContact O-N 3.25Å; I68-F82 HydrophobicContact CG2-CZ 4.29Å; I68-S85 VanDerWaalsContact CG2-OG 3.29Å; I68-S85 WeakPolarHBondContact CG2-OG 3.16Å; I68-L92 HydrophobicContact CD1-CD1 3.99Å; I68-L92 HydrophobicContact CD1-CD2 4.08Å
69H79.9Confident80.6Confident76 Ų7649 Ų4935%0.35222%0.222SC..Hα-helixtrans-65.5-43.3174170.451000112.7C65 E67 R72 E73 R139C65-H69 VanDerWaalsContact O-CB 3.26Å; C65-H69 WeakPolarHBondContact O-CB 3.22Å; C65-H69 PolarHBondContact O-N 3.27Å; E67-H69 PolarHBondContact O-N 3Å; H69-R72 PolarHBondContact O-N 2.78Å; H69-E73 VanDerWaalsContact CE1-CD 3.48Å; H69-E73 IonicContact CE1-OE1 3.9Å; H69-E73 PolarHBondContact CE1-OE1 3.2Å; H69-E73 IonicContact CE1-OE2 2.77Å; H69-E73 IonicContact ND1-OE1 3.53Å; H69-E73 IonicContact NE2-OE1 2.65Å; H69-E73 WeakPolarHBondContact O-CG 3.34Å; H69-E73 PolarHBondContact O-N 2.68Å; H69-E73 VanDerWaalsContact O-N 3.15Å; H69-R139 PolarHBondContact CD2-NH2 3.23Å; H69-R139 PolarHBondContact NE2-NH2 2.96Å
70T73.1Confident81.7Confident17 Ų1748 Ų4810%0.10422%0.216CC..Hα-helixtrans-64.6-48.8177.5-60.60000111.6Q66 E67 R72 E73 C74 R139Q66-T70 VanDerWaalsContact O-CB 3.32Å; Q66-T70 WeakPolarHBondContact O-CB 3.49Å; Q66-T70 PolarHBondContact O-N 3.34Å; Q66-T70 PolarHBondContact O-OG1 3.42Å; E67-T70 CarbonylContact O-C 3.43Å; E67-T70 WeakPolarHBondContact O-CA 3.45Å; E67-T70 WeakPolarHBondContact O-CB 3.39Å; E67-T70 PolarHBondContact O-N 3.45Å; T70-R72 VanDerWaalsContact C-N 3.3Å; T70-R72 PolarHBondContact O-N 3.1Å; T70-E73 PolarHBondContact O-N 3.45Å; T70-C74 WeakPolarHBondContact O-CB 3.5Å; T70-C74 PolarHBondContact O-N 2.67Å; T70-C74 PolarHBondContact O-SG 3.01Å; T70-R139 HydrophobicContact CG2-CB 4.2Å; T70-R139 HydrophobicContact CG2-CG 3.96Å
71L79.8Confident82.6Confident11 Ų1147.8 Ų47.86%0.05821%0.214CC..Hα-helixtrans-52.6-46.2172.7-83.2166.1000111.7E67 E73 C74 F82 I94 F162E67-L71 HydrophobicContact CG-CD1 3.95Å; E67-L71 HydrophobicContact CG-CG 4.46Å; E67-L71 WeakPolarHBondContact O-CB 3.48Å; E67-L71 PolarHBondContact O-N 2.88Å; L71-E73 VanDerWaalsContact C-N 3.32Å; L71-E73 PolarHBondContact O-N 2.96Å; L71-C74 PolarHBondContact O-N 2.84Å; L71-F82 HydrophobicContact CB-CB 4.08Å; L71-F82 HydrophobicContact CB-CD2 3.77Å; L71-F82 HydrophobicContact CB-CE2 4.37Å; L71-F82 HydrophobicContact CB-CG 4Å; L71-F82 HydrophobicContact CD1-CD2 4.23Å; L71-F82 HydrophobicContact CG-CD2 4.47Å; L71-F82 WeakPolarHBondContact O-CB 3.32Å; L71-I94 HydrophobicContact CD1-CD1 4.15Å; L71-I94 HydrophobicContact CD1-CG2 4Å; L71-F162 HydrophobicContact CD2-CD2 3.56Å; L71-F162 HydrophobicContact CD2-CE2 4Å; L71-F162 HydrophobicContact CG-CD2 4.39Å
72R84.6Confident83.2Confident163 Ų16348.1 Ų48.162%0.61522%0.215SC*.Hα-helixtrans-64.9-32.4-179-178.8175.2175.5172.1-1.7113.6I68 H69 T70 F82I68-R72 WeakPolarHBondContact O-CB 3.38Å; I68-R72 PolarHBondContact O-N 3.25Å; H69-R72 PolarHBondContact O-N 2.78Å; T70-R72 VanDerWaalsContact C-N 3.3Å; T70-R72 PolarHBondContact O-N 3.1Å; R72-F82 HydrophobicContact CB-CD1 3.98Å; R72-F82 HydrophobicContact CB-CE1 3.83Å; R72-F82 HydrophobicContact CG-CD1 4.42Å; R72-F82 HydrophobicContact CG-CE1 4.16Å
73E83.2Confident84.1Confident82 Ų8244.5 Ų44.538%0.38320%0.202SC..Hα-helixtrans-85.2-24.4176.3-71.3-174.7162.700113.8H69 T70 L71 R75 R139H69-E73 VanDerWaalsContact CE1-CD 3.48Å; H69-E73 IonicContact CE1-OE1 3.9Å; H69-E73 PolarHBondContact CE1-OE1 3.2Å; H69-E73 IonicContact CE1-OE2 2.77Å; H69-E73 IonicContact ND1-OE1 3.53Å; H69-E73 IonicContact NE2-OE1 2.65Å; H69-E73 WeakPolarHBondContact O-CG 3.34Å; H69-E73 PolarHBondContact O-N 2.68Å; H69-E73 VanDerWaalsContact O-N 3.15Å; T70-E73 PolarHBondContact O-N 3.45Å; L71-E73 VanDerWaalsContact C-N 3.32Å; L71-E73 PolarHBondContact O-N 2.96Å; E73-R75 PolarHBondContact O-N 2.94Å; E73-R139 IonicContact OE1-NH2 2.71Å; E73-R139 IonicContact OE2-CZ 2.65Å; E73-R139 IonicContact OE2-NE 3.46Å; E73-R139 IonicContact OE2-NH2 2.64Å; E73-R139 PolarHBondContact OE2-NH2 2.83Å
74C83.2Confident85.2Confident1 Ų144.4 Ų44.41%0.00720%0.202CC..  trans-82.881.9-175.6-68.20000112T70 L71 I79T70-C74 WeakPolarHBondContact O-CB 3.5Å; T70-C74 PolarHBondContact O-N 2.67Å; T70-C74 PolarHBondContact O-SG 3.01Å; L71-C74 PolarHBondContact O-N 2.84Å; C74-I79 HydrophobicContact CB-CD1 4.15Å; C74-I79 HydrophobicContact CB-CG2 4.1Å; C74-I79 VanDerWaalsContact O-CG2 3.29Å; C74-I79 WeakPolarHBondContact O-CG2 3.33Å
75R90Very high85.9Confident162 Ų16244.5 Ų44.561%0.61120%0.203SC*.  trans-109.1104.4174.4-58-167.7177.9-168.8-7.5111E73 F133E73-R75 PolarHBondContact O-N 2.94Å; R75-F133 VanDerWaalsContact O-CE2 3.27Å; R75-F133 WeakPolarHBondContact O-CE2 3.35Å; R75-F133 WeakPolarHBondContact O-CZ 3.21Å
76H94.6Very high86.5Confident46 Ų4644.3 Ų44.321%0.21320%0.202CC..  trans-151.4147.2-179.8-169.7-103.2000109.5N78 I79 F133H76-N78 PolarHBondContact CE1-OD1 2.69Å; H76-N78 PolarHBondContact ND1-N 2.96Å; H76-N78 PolarHBondContact ND1-OD1 3.2Å; H76-N78 PolarHBondContact O-N 3.27Å; H76-N78 VanDerWaalsContact O-N 3.17Å; H76-I79 HydrophobicContact CB-CB 4.06Å; H76-I79 HydrophobicContact CB-CD1 3.87Å; H76-I79 HydrophobicContact CB-CG1 4.05Å; H76-I79 PolarHBondContact O-N 3.45Å; H76-F133 HydrophobicContact CB-CB 4.31Å; H76-F133 HydrophobicContact CB-CD1 4Å; H76-F133 HydrophobicContact CB-CD2 3.93Å; H76-F133 HydrophobicContact CB-CE1 4.33Å; H76-F133 HydrophobicContact CB-CE2 4.2Å; H76-F133 HydrophobicContact CB-CG 3.81Å; H76-F133 HydrophobicContact CB-CZ 4.4Å; H76-F133 AromaticContact CD2-CD2 3.32Å; H76-F133 WeakPolarHBondContact CD2-CD2 3.46Å; H76-F133 AromaticContact CD2-CG 3.68Å; H76-F133 AromaticContact CG-CD2 3.85Å; H76-F133 AromaticContact CG-CG 3.81Å
77P95.9Very high87.5Confident94 Ų9440.2 Ų40.261%0.6118%0.183SC*.THydrogen-bonded Turntrans-52.6-40.6-179.2-29.537000113.7I79 K158P77-I79 VanDerWaalsContact C-N 3.32Å; P77-I79 PolarHBondContact O-N 3.21Å; P77-K158 PolarHBondContact O-NZ 3.46Å
78N96.8Very high88.3Confident10 Ų1045.1 Ų45.15%0.05320%0.2CC..THydrogen-bonded Turntrans-90.721.6179.9-39.392.2000114.3H76 E126 Q129 V157 V159H76-N78 PolarHBondContact CE1-OD1 2.69Å; H76-N78 PolarHBondContact ND1-N 2.96Å; H76-N78 PolarHBondContact ND1-OD1 3.2Å; H76-N78 PolarHBondContact O-N 3.27Å; H76-N78 VanDerWaalsContact O-N 3.17Å; N78-E126 WeakPolarHBondContact CB-O 3.18Å; N78-E126 WeakPolarHBondContact ND2-CB 3.4Å; N78-E126 PolarHBondContact ND2-OE2 2.8Å; N78-Q129 PolarHBondContact OD1-OE1 3.44Å; N78-V157 VanDerWaalsContact CA-O 3.29Å; N78-V157 WeakPolarHBondContact CA-O 3.36Å; N78-V157 WeakPolarHBondContact CB-O 3.27Å; N78-V157 PolarHBondContact ND2-O 3Å; N78-V159 PolarHBondContact O-N 2.92Å
79I94.1Very high88.6Confident1 Ų151.9 Ų51.91%0.00524%0.237CC..BIsolated β-bridgetrans-124.5140.5173.1-76.2177.1000107.9C74 H76 P77 Q81 F133 M134 F162C74-I79 HydrophobicContact CB-CD1 4.15Å; C74-I79 HydrophobicContact CB-CG2 4.1Å; C74-I79 VanDerWaalsContact O-CG2 3.29Å; C74-I79 WeakPolarHBondContact O-CG2 3.33Å; H76-I79 HydrophobicContact CB-CB 4.06Å; H76-I79 HydrophobicContact CB-CD1 3.87Å; H76-I79 HydrophobicContact CB-CG1 4.05Å; H76-I79 PolarHBondContact O-N 3.45Å; P77-I79 VanDerWaalsContact C-N 3.32Å; P77-I79 PolarHBondContact O-N 3.21Å; I79-Q81 PolarHBondContact O-N 2.91Å; I79-Q81 VanDerWaalsContact O-N 3.14Å; I79-F133 HydrophobicContact CD1-CD1 3.88Å; I79-F133 HydrophobicContact CD1-CE1 4.5Å; I79-M134 HydrophobicContact CD1-CG 3.85Å; I79-F162 HydrophobicContact CB-CZ 4.46Å; I79-F162 HydrophobicContact CG1-CZ 4.35Å; I79-F162 HydrophobicContact CG2-CE2 4.23Å; I79-F162 HydrophobicContact CG2-CZ 3.72Å
80V93.2Very high88.7Confident4 Ų451.6 Ų51.62%0.02424%0.238CC..  trans-62.8112.3173169.30000110.5F82 M96 E97 L150 K158 V159 A160V80-F82 PolarHBondContact O-N 3.17Å; V80-M96 HydrophobicContact CG1-CB 3.77Å; V80-M96 HydrophobicContact CG1-CG 3.76Å; V80-M96 HydrophobicContact CG1-SD 3.65Å; V80-E97 WeakPolarHBondContact CA-OE1 3.3Å; V80-E97 HydrophobicContact CG1-CG 4.22Å; V80-L150 HydrophobicContact CG2-CD1 4.12Å; V80-K158 HydrophobicContact CG2-CB 3.9Å; V80-V159 WeakPolarHBondContact CG2-O 3.37Å; V80-V159 PolarHBondContact N-O 3.29Å; V80-A160 HydrophobicContact CB-CB 4.44Å; V80-A160 HydrophobicContact CG2-CB 3.75Å
81Q92.6Very high89.4Confident44 Ų4455.2 Ų55.221%0.20625%0.252CS..  trans-69.1112.6-175.4179.655.876.900111.6I79 Y83 M96 E97I79-Q81 PolarHBondContact O-N 2.91Å; I79-Q81 VanDerWaalsContact O-N 3.14Å; Q81-Y83 HydrophobicContact CG-CD1 4.25Å; Q81-Y83 HydrophobicContact CG-CE1 3.81Å; Q81-M96 CarbonylContact O-C 3.6Å; Q81-M96 VanDerWaalsContact O-CA 3.26Å; Q81-M96 WeakPolarHBondContact O-CA 3.42Å; Q81-E97 HydrophobicContact CB-CB 4.37Å; Q81-E97 HydrophobicContact CB-CG 4.24Å; Q81-E97 WeakPolarHBondContact CB-OE1 3.47Å; Q81-E97 PolarHBondContact N-OE1 2.78Å; Q81-E97 PolarHBondContact O-N 3.41Å
82F91.3Very high89.8Confident14 Ų1454.7 Ų54.76%0.06125%0.249CC..EExtended strand (participates in β ladder)trans-69.9135.4171.8172.3-92.1000112.3I68 L71 R72 V80 G84 I94I68-F82 HydrophobicContact CG2-CZ 4.29Å; L71-F82 HydrophobicContact CB-CB 4.08Å; L71-F82 HydrophobicContact CB-CD2 3.77Å; L71-F82 HydrophobicContact CB-CE2 4.37Å; L71-F82 HydrophobicContact CB-CG 4Å; L71-F82 HydrophobicContact CD1-CD2 4.23Å; L71-F82 HydrophobicContact CG-CD2 4.47Å; L71-F82 WeakPolarHBondContact O-CB 3.32Å; R72-F82 HydrophobicContact CB-CD1 3.98Å; R72-F82 HydrophobicContact CB-CE1 3.83Å; R72-F82 HydrophobicContact CG-CD1 4.42Å; R72-F82 HydrophobicContact CG-CE1 4.16Å; V80-F82 PolarHBondContact O-N 3.17Å; F82-G84 VanDerWaalsContact CE2-O 3.29Å; F82-G84 WeakPolarHBondContact CE2-O 3.35Å; F82-G84 VanDerWaalsContact CZ-CA 3.49Å; F82-I94 HydrophobicContact CD2-CG2 3.93Å; F82-I94 HydrophobicContact CE2-CG2 3.98Å
83Y91.3Very high90.1Very high86 Ų8648.6 Ų48.634%0.33723%0.226SC..EExtended strand (participates in β ladder)trans-109.5-33.5175.7-58.5-43.2000113.6V48 Q81 C95 M96 E97V48-Y83 HydrophobicContact CB-CD2 4.27Å; V48-Y83 HydrophobicContact CB-CE2 4.09Å; V48-Y83 HydrophobicContact CG1-CD2 3.9Å; V48-Y83 HydrophobicContact CG1-CE2 3.59Å; Q81-Y83 HydrophobicContact CG-CD1 4.25Å; Q81-Y83 HydrophobicContact CG-CE1 3.81Å; Y83-C95 PolarHBondContact N-O 3.29Å; Y83-M96 WeakPolarHBondContact CE2-O 3.46Å; Y83-E97 HydrophobicContact CE2-CB 4.17Å; Y83-E97 VanDerWaalsContact OH-CB 3.29Å; Y83-E97 WeakPolarHBondContact OH-CB 3.48Å
84G90.8Very high90.5Very high4 Ų444.8 Ų44.84%0.04121%0.209CC..EExtended strand (participates in β ladder)trans177.2169.9-178.500000114F82 C95F82-G84 VanDerWaalsContact CE2-O 3.29Å; F82-G84 WeakPolarHBondContact CE2-O 3.35Å; F82-G84 VanDerWaalsContact CZ-CA 3.49Å; G84-C95 PolarHBondContact N-O 3.1Å; G84-C95 PolarHBondContact O-N 2.97Å
85S92Very high90.9Very high4 Ų444.8 Ų44.83%0.02821%0.208CC..EExtended strand (participates in β ladder)trans-143.6152.6173.356.10000111.2V13 K14 I68 W93V13-S85 WeakPolarHBondContact CB-O 3.3Å; K14-S85 PolarHBondContact N-O 3.04Å; I68-S85 VanDerWaalsContact CG2-OG 3.29Å; I68-S85 WeakPolarHBondContact CG2-OG 3.16Å; S85-W93 CarbonylContact C-O 3.59Å; S85-W93 WeakPolarHBondContact CA-O 3.39Å; S85-W93 VanDerWaalsContact CB-O 3.3Å; S85-W93 WeakPolarHBondContact CB-O 3.43Å
86Y93Very high91Very high0 Ų038.1 Ų38.10%019%0.185CC..EExtended strand (participates in β ladder)trans-146.3148.1-170-50.1-103.4000110.4K14 N16 P18 E21 Y22 L92 W93K14-Y86 HydrophobicContact CB-CD1 3.71Å; K14-Y86 HydrophobicContact CB-CE1 3.6Å; K14-Y86 HydrophobicContact CB-CG 4.48Å; K14-Y86 HydrophobicContact CD-CD1 4.38Å; K14-Y86 HydrophobicContact CD-CE1 3.48Å; K14-Y86 VanDerWaalsContact CD-CE1 3.48Å; K14-Y86 HydrophobicContact CD-CE2 4.34Å; K14-Y86 VanDerWaalsContact CD-CZ 3.42Å; K14-Y86 WeakPolarHBondContact CD-OH 3.39Å; K14-Y86 HydrophobicContact CG-CE1 4.21Å; K14-Y86 PolarHBondContact NZ-OH 2.7Å; N16-Y86 WeakPolarHBondContact O-CD1 3.16Å; P18-Y86 HydrophobicContact CB-CD1 4.11Å; P18-Y86 HydrophobicContact CB-CD2 3.9Å; P18-Y86 HydrophobicContact CB-CE2 4.45Å; P18-Y86 HydrophobicContact CB-CG 3.77Å; P18-Y86 HydrophobicContact CG-CG 4.29Å; E21-Y86 VanDerWaalsContact OE1-CE1 3.28Å; E21-Y86 WeakPolarHBondContact OE1-CE1 3.29Å; E21-Y86 PolarHBondContact OE1-OH 2.97Å; E21-Y86 PolarHBondContact OE2-OH 3.31Å; Y22-Y86 HydrophobicContact CD2-CE2 4.42Å; Y22-Y86 AromaticContact CE2-CE2 3.82Å; Y22-Y86 HydrophobicContact CE2-CE2 3.82Å; Y22-Y86 AromaticContact CE2-CZ 3.87Å; Y22-Y86 WeakPolarHBondContact CE2-OH 3.4Å; Y86-L92 WeakPolarHBondContact O-CA 3.37Å; Y86-W93 HydrophobicContact CD2-CB 4.35Å; Y86-W93 PolarHBondContact N-O 3.01Å; Y86-W93 PolarHBondContact O-N 3.32Å
87L89.7Confident91Very high7 Ų737.3 Ų37.34%0.03718%0.181CC..EExtended strand (participates in β ladder)trans-123.2103178.2-175.568.3000112.3L6 L9 R10 V13 L92L6-L87 HydrophobicContact CB-CD2 4.41Å; L6-L87 HydrophobicContact CD2-CD2 4.46Å; L9-L87 HydrophobicContact CB-CD2 4.06Å; L9-L87 HydrophobicContact CD2-CD1 3.87Å; L9-L87 HydrophobicContact CD2-CD2 3.91Å; L9-L87 HydrophobicContact CD2-CG 4.44Å; L9-L87 HydrophobicContact CG-CD2 4Å; R10-L87 HydrophobicContact CG-CD2 3.9Å; R10-L87 PolarHBondContact NH1-O 3.02Å; V13-L87 HydrophobicContact CG2-CB 3.91Å; L87-L92 HydrophobicContact CD1-CB 4.36Å
88R86.1Confident91Very high118 Ų11835.2 Ų35.245%0.44516%0.161SC..EExtended strand (participates in β ladder)trans-131129.3-175-154.465.2161.1163.3-2.7110.5D17 N90 K91D17-R88 IonicContact OD2-CZ 3.83Å; D17-R88 IonicContact OD2-NE 3.7Å; D17-R88 PolarHBondContact OD2-NE 3.27Å; D17-R88 IonicContact OD2-NH2 3Å; D17-R88 PolarHBondContact OD2-NH2 3.44Å; R88-N90 VanDerWaalsContact C-N 3.27Å; R88-N90 PolarHBondContact O-N 2.84Å; R88-K91 PolarHBondContact N-O 3.07Å; R88-K91 WeakPolarHBondContact O-CA 3.24Å; R88-K91 WeakPolarHBondContact O-CB 3.36Å; R88-K91 PolarHBondContact O-N 3.06Å; R88-K91 VanDerWaalsContact O-O 3.06Å
89N84.4Confident90.9Very high145 Ų14535.3 Ų35.378%0.77516%0.163SC*.THydrogen-bonded Turntrans47.745.2178.8-57.41.1000113.9K91N89-K91 PolarHBondContact O-N 3.28Å
90N82.9Confident90.8Very high70 Ų7036 Ų3637%0.37417%0.169SC..THydrogen-bonded Turntrans57.112.3-174.8-58.2-2.1000115.5L6 I55 R88L6-N90 WeakPolarHBondContact CD1-OD1 3.32Å; I55-N90 PolarHBondContact N-O 3.08Å; R88-N90 VanDerWaalsContact C-N 3.27Å; R88-N90 PolarHBondContact O-N 2.84Å
91K87.6Confident90.7Very high94 Ų9435.9 Ų35.941%0.40917%0.17SC..EExtended strand (participates in β ladder)trans-96.5124.2165.7-61.7-173.7178-169.70109.1V52 M53 R88 N89V52-K91 HydrophobicContact CG1-CB 3.9Å; V52-K91 HydrophobicContact CG1-CD 3.83Å; V52-K91 HydrophobicContact CG1-CG 4.33Å; M53-K91 CarbonylContact O-C 3.51Å; M53-K91 VanDerWaalsContact O-CA 3.31Å; M53-K91 WeakPolarHBondContact O-CA 3.43Å; R88-K91 PolarHBondContact N-O 3.07Å; R88-K91 WeakPolarHBondContact O-CA 3.24Å; R88-K91 WeakPolarHBondContact O-CB 3.36Å; R88-K91 PolarHBondContact O-N 3.06Å; R88-K91 VanDerWaalsContact O-O 3.06Å; N89-K91 PolarHBondContact O-N 3.28Å
92L88.3Confident90.7Very high0 Ų037.6 Ų37.60%018%0.178CC..EExtended strand (participates in β ladder)trans-85124.8168.1170.561.5000108.4V13 V52 M53 I55 I64 I68 Y86 L87 I94V13-L92 HydrophobicContact CG1-CD1 3.92Å; V52-L92 WeakPolarHBondContact CA-O 3.13Å; M53-L92 HydrophobicContact CE-CD2 3.81Å; M53-L92 HydrophobicContact CE-CG 4.39Å; M53-L92 PolarHBondContact N-O 2.56Å; M53-L92 PolarHBondContact O-N 3.22Å; I55-L92 HydrophobicContact CD1-CB 3.92Å; I55-L92 HydrophobicContact CD1-CD2 4.37Å; I55-L92 HydrophobicContact CG1-CB 3.96Å; I64-L92 HydrophobicContact CG2-CD2 3.39Å; I68-L92 HydrophobicContact CD1-CD1 3.99Å; I68-L92 HydrophobicContact CD1-CD2 4.08Å; Y86-L92 WeakPolarHBondContact O-CA 3.37Å; L87-L92 HydrophobicContact CD1-CB 4.36Å; L92-I94 HydrophobicContact CD2-CD1 4.39Å; L92-I94 HydrophobicContact CG-CG1 4.2Å
93W91.9Very high90.8Very high35 Ų3537.3 Ų37.313%0.13318%0.177CC..EExtended strand (participates in β ladder)trans-102.8135.7174.9-65.750.1000108.5P18 I24 V50 K51 V52 S85 Y86P18-W93 HydrophobicContact CB-CD2 3.92Å; P18-W93 HydrophobicContact CB-CE3 3.54Å; P18-W93 HydrophobicContact CB-CG 4.34Å; P18-W93 HydrophobicContact CB-CZ3 4.08Å; P18-W93 HydrophobicContact CG-CB 4.48Å; P18-W93 HydrophobicContact CG-CD2 3.49Å; P18-W93 VanDerWaalsContact CG-CD2 3.49Å; P18-W93 HydrophobicContact CG-CE3 3.59Å; P18-W93 HydrophobicContact CG-CG 3.88Å; P18-W93 HydrophobicContact CG-CH2 4.43Å; P18-W93 HydrophobicContact CG-CZ2 4.33Å; P18-W93 HydrophobicContact CG-CZ3 4.06Å; I24-W93 HydrophobicContact CD1-CH2 4.49Å; I24-W93 HydrophobicContact CD1-CZ3 3.98Å; I24-W93 HydrophobicContact CG1-CH2 4.4Å; I24-W93 HydrophobicContact CG1-CZ3 4.32Å; V50-W93 HydrophobicContact CG1-CD2 4.3Å; V50-W93 HydrophobicContact CG1-CE3 3.47Å; V50-W93 VanDerWaalsContact CG1-CE3 3.47Å; V50-W93 HydrophobicContact CG1-CZ3 3.98Å; K51-W93 CarbonylContact O-C 3.57Å; K51-W93 WeakPolarHBondContact O-CA 3.49Å; V52-W93 HydrophobicContact CG2-CD2 3.89Å; V52-W93 HydrophobicContact CG2-CE3 4.18Å; V52-W93 HydrophobicContact CG2-CG 4.21Å; V52-W93 HydrophobicContact CG2-CZ2 4.42Å; S85-W93 CarbonylContact C-O 3.59Å; S85-W93 WeakPolarHBondContact CA-O 3.39Å; S85-W93 VanDerWaalsContact CB-O 3.3Å; S85-W93 WeakPolarHBondContact CB-O 3.43Å; Y86-W93 HydrophobicContact CD2-CB 4.35Å; Y86-W93 PolarHBondContact N-O 3.01Å; Y86-W93 PolarHBondContact O-N 3.32Å
94I89.8Confident91Very high2 Ų233.2 Ų33.21%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-126.8114.8174.1-57.1-177.1000107.7V50 K51 M53 L71 F82 L92 M96V50-I94 WeakPolarHBondContact CA-O 3.45Å; K51-I94 HydrophobicContact CB-CB 4.45Å; K51-I94 PolarHBondContact N-O 2.9Å; K51-I94 PolarHBondContact O-N 2.94Å; M53-I94 HydrophobicContact CE-CD1 3.61Å; M53-I94 HydrophobicContact CE-CG1 4.43Å; L71-I94 HydrophobicContact CD1-CD1 4.15Å; L71-I94 HydrophobicContact CD1-CG2 4Å; F82-I94 HydrophobicContact CD2-CG2 3.93Å; F82-I94 HydrophobicContact CE2-CG2 3.98Å; L92-I94 HydrophobicContact CD2-CD1 4.39Å; L92-I94 HydrophobicContact CG-CG1 4.2Å; I94-M96 HydrophobicContact CB-CE 4.21Å; I94-M96 HydrophobicContact CG2-CE 3.65Å
95C92.7Very high91.1Very high0 Ų035.7 Ų35.70%017%0.172CC..EExtended strand (participates in β ladder)trans-100.6131.4-179.5-53.50000110Y22 A49 V50 Y83 G84Y22-C95 HydrophobicContact CE1-CB 4.09Å; Y22-C95 HydrophobicContact CE2-CB 3.87Å; Y22-C95 WeakPolarHBondContact CE2-SG 3.46Å; A49-C95 WeakPolarHBondContact O-CA 3.37Å; V50-C95 HydrophobicContact CG2-CB 4.48Å; Y83-C95 PolarHBondContact N-O 3.29Å; G84-C95 PolarHBondContact N-O 3.1Å; G84-C95 PolarHBondContact O-N 2.97Å
96M92.7Very high91Very high23 Ų2338.8 Ų38.811%0.11319%0.188CC..EExtended strand (participates in β ladder)trans-148.8171.7-172.867.2-167.173.700111.3V48 A49 K51 V80 Q81 Y83 I94V48-M96 CarbonylContact C-O 3.5Å; V48-M96 WeakPolarHBondContact CA-O 3.46Å; V48-M96 WeakPolarHBondContact CB-O 3.28Å; A49-M96 HydrophobicContact CB-CG 3.86Å; A49-M96 PolarHBondContact N-O 3.1Å; A49-M96 PolarHBondContact O-N 3Å; K51-M96 HydrophobicContact CB-CE 3.99Å; V80-M96 HydrophobicContact CG1-CB 3.77Å; V80-M96 HydrophobicContact CG1-CG 3.76Å; V80-M96 HydrophobicContact CG1-SD 3.65Å; Q81-M96 CarbonylContact O-C 3.6Å; Q81-M96 VanDerWaalsContact O-CA 3.26Å; Q81-M96 WeakPolarHBondContact O-CA 3.42Å; Y83-M96 WeakPolarHBondContact CE2-O 3.46Å; I94-M96 HydrophobicContact CB-CE 4.21Å; I94-M96 HydrophobicContact CG2-CE 3.65Å
97E93.7Very high91Very high29 Ų2938.8 Ų38.814%0.13619%0.188CC..EExtended strand (participates in β ladder)trans-62.2146.7178.173.9-173.6133.100113.3V80 Q81 Y83 K158V80-E97 WeakPolarHBondContact CA-OE1 3.3Å; V80-E97 HydrophobicContact CG1-CG 4.22Å; Q81-E97 HydrophobicContact CB-CB 4.37Å; Q81-E97 HydrophobicContact CB-CG 4.24Å; Q81-E97 WeakPolarHBondContact CB-OE1 3.47Å; Q81-E97 PolarHBondContact N-OE1 2.78Å; Q81-E97 PolarHBondContact O-N 3.41Å; Y83-E97 HydrophobicContact CE2-CB 4.17Å; Y83-E97 VanDerWaalsContact OH-CB 3.29Å; Y83-E97 WeakPolarHBondContact OH-CB 3.48Å; E97-K158 HydrophobicContact CG-CD 4.42Å; E97-K158 WeakPolarHBondContact OE1-CD 3.35Å; E97-K158 VanDerWaalsContact OE1-CE 3.3Å; E97-K158 WeakPolarHBondContact OE1-CE 3.25Å; E97-K158 IonicContact OE1-NZ 3.77Å; E97-K158 PolarHBondContact OE1-NZ 2.94Å; E97-K158 WeakPolarHBondContact OE2-CE 3.17Å; E97-K158 IonicContact OE2-NZ 3.6Å; E97-K158 PolarHBondContact OE2-NZ 2.68Å
98Y95.2Very high91Very high49 Ų4938.6 Ų38.619%0.19219%0.187CC..  trans-85.3129.4176.2178.2-103.8000110.7I28 K38 L47I28-Y98 HydrophobicContact CD1-CD2 4.07Å; I28-Y98 HydrophobicContact CD1-CE2 3.81Å; K38-Y98 HydrophobicContact CB-CD2 4.38Å; K38-Y98 HydrophobicContact CB-CE2 4.04Å; K38-Y98 HydrophobicContact CD-CD2 4.47Å; K38-Y98 HydrophobicContact CD-CE1 4.47Å; K38-Y98 HydrophobicContact CD-CE2 3.79Å; K38-Y98 HydrophobicContact CG-CD2 4.1Å; K38-Y98 HydrophobicContact CG-CE2 3.84Å; L47-Y98 HydrophobicContact CB-CD1 4.08Å; L47-Y98 HydrophobicContact CB-CG 4.18Å; L47-Y98 HydrophobicContact CD1-CD1 4.05Å; L47-Y98 HydrophobicContact CD1-CE1 4.25Å
99C95Very high91.1Very high13 Ų1337.3 Ų37.39%0.08819%0.188CC..  trans-113.382.8179.6-63.10000109.5G101 Q102 L150 L151C99-G101 PolarHBondContact O-N 3.24Å; C99-Q102 PolarHBondContact O-N 3.09Å; C99-Q102 VanDerWaalsContact O-N 3.12Å; C99-L150 HydrophobicContact CB-CB 3.72Å; C99-L150 HydrophobicContact CB-CD1 3.92Å; C99-L150 HydrophobicContact CB-CG 4.48Å; C99-L151 CarbonylContact C-O 3.52Å; C99-L151 WeakPolarHBondContact CA-O 3.18Å; C99-L151 WeakPolarHBondContact CB-O 3.48Å
100G92.2Very high91.2Very high14 Ų1434.9 Ų34.914%0.14417%0.169CC..THydrogen-bonded Turntrans-69.8-12.5-170.500000116Q102 D153G100-Q102 PolarHBondContact O-N 3.04Å; G100-D153 WeakPolarHBondContact CA-OD2 3.2Å; G100-D153 PolarHBondContact N-OD2 2.9Å
101G92Very high91.5Very high3 Ų332 Ų323%0.03115%0.154CC..THydrogen-bonded Turntrans-70.7-5.9169.400000114.5C99 I107 L151C99-G101 PolarHBondContact O-N 3.24Å; G101-I107 WeakPolarHBondContact O-CD1 3.45Å; G101-L151 VanDerWaalsContact CA-O 3.27Å; G101-L151 WeakPolarHBondContact CA-O 3.39Å; G101-L151 PolarHBondContact N-O 3.25Å
102Q91.9Very high91.4Very high80 Ų8037 Ų3737%0.37417%0.17SC..EExtended strand (participates in β ladder)trans64.3-170.3-177.4-53.4-169.8-22.300113.4C99 G100 D106 L150 L151C99-Q102 PolarHBondContact O-N 3.09Å; C99-Q102 VanDerWaalsContact O-N 3.12Å; G100-Q102 PolarHBondContact O-N 3.04Å; Q102-D106 HydrophobicContact CB-CB 3.99Å; Q102-L150 WeakPolarHBondContact O-CA 3.48Å; Q102-L151 PolarHBondContact O-N 3Å
103S94.2Very high91.3Very high7 Ų744 Ų445%0.04920%0.197CC..EExtended strand (participates in β ladder)trans-79.3156.2177.5780000112.1Q105 D106 I107 A147 I149S103-Q105 PolarHBondContact O-N 2.86Å; S103-Q105 PolarHBondContact OG-N 2.83Å; S103-D106 WeakPolarHBondContact CA-OD2 3.33Å; S103-D106 VanDerWaalsContact CB-OD2 3.23Å; S103-D106 WeakPolarHBondContact CB-OD2 3.43Å; S103-D106 PolarHBondContact N-OD2 3.35Å; S103-D106 PolarHBondContact O-N 3.02Å; S103-D106 VanDerWaalsContact O-N 3.12Å; S103-D106 PolarHBondContact OG-N 3.4Å; S103-D106 VanDerWaalsContact OG-N 3.09Å; S103-D106 PolarHBondContact OG-OD2 3.02Å; S103-I107 WeakPolarHBondContact O-CG1 3.06Å; S103-I107 PolarHBondContact O-N 3.36Å; S103-I107 VanDerWaalsContact O-N 3.1Å; S103-A147 WeakPolarHBondContact CB-O 3.25Å; S103-I149 CarbonylContact C-O 3.54Å; S103-I149 WeakPolarHBondContact CA-O 3.47Å
104M95.4Very high91.2Very high0 Ų044.8 Ų44.80%021%0.206CC..Hα-helixtrans-59.1-29.5172.7-67.9-62.6-5400111.9I107 Y108 L115 V123 G146 I149 L151 Y215 L294M104-I107 HydrophobicContact SD-CD1 4.17Å; M104-Y108 WeakPolarHBondContact O-CD1 3.04Å; M104-Y108 PolarHBondContact O-N 3.07Å; M104-L115 HydrophobicContact CE-CD1 3.36Å; M104-V123 HydrophobicContact CE-CG1 4.41Å; M104-V123 HydrophobicContact CE-CG2 3.99Å; M104-V123 HydrophobicContact CG-CG1 4.21Å; M104-V123 HydrophobicContact SD-CG1 4.35Å; M104-V123 HydrophobicContact SD-CG2 4.17Å; M104-G146 PolarHBondContact N-O 3.18Å; M104-I149 HydrophobicContact CG-CB 4.04Å; M104-I149 HydrophobicContact CG-CG2 3.79Å; M104-I149 PolarHBondContact N-O 3.48Å; M104-L151 HydrophobicContact SD-CD1 3.93Å; M104-L151 HydrophobicContact SD-CD2 3.82Å; M104-L151 HydrophobicContact SD-CG 3.82Å; M104-Y215 HydrophobicContact CB-CE1 3.58Å; M104-Y215 WeakPolarHBondContact CB-OH 3.43Å; M104-Y215 HydrophobicContact CG-CE1 4.35Å; M104-Y215 WeakPolarHBondContact CG-OH 3.18Å; M104-L294 HydrophobicContact CE-CD2 3.98Å
105Q92.4Very high91.4Very high57 Ų5745.1 Ų45.127%0.26621%0.208SC..Hα-helixtrans-65.9-48.1171.9174.4158.981.800112.5S103 I107 Y108 L109 G146 A147S103-Q105 PolarHBondContact O-N 2.86Å; S103-Q105 PolarHBondContact OG-N 2.83Å; Q105-I107 PolarHBondContact O-N 2.87Å; Q105-Y108 HydrophobicContact CB-CE1 4.04Å; Q105-Y108 HydrophobicContact CG-CE1 4.45Å; Q105-Y108 HydrophobicContact CG-CE2 4.41Å; Q105-Y108 PolarHBondContact NE2-OH 2.67Å; Q105-Y108 PolarHBondContact O-N 3.48Å; Q105-L109 HydrophobicContact CG-CD1 3.56Å; Q105-L109 HydrophobicContact CG-CG 4.11Å; Q105-L109 VanDerWaalsContact O-CB 3.32Å; Q105-L109 WeakPolarHBondContact O-CB 3.47Å; Q105-L109 VanDerWaalsContact O-CG 3.26Å; Q105-L109 WeakPolarHBondContact O-CG 2.96Å; Q105-L109 PolarHBondContact O-N 3.17Å; Q105-G146 PolarHBondContact N-O 3.43Å; Q105-A147 HydrophobicContact CB-CB 4.32Å
106D90.5Very high91.5Very high69 Ų6951 Ų5137%0.36924%0.235SC..Hα-helixtrans-57.1-41.6176.8-55.6-55000110.8Q102 S103 Y110Q102-D106 HydrophobicContact CB-CB 3.99Å; S103-D106 WeakPolarHBondContact CA-OD2 3.33Å; S103-D106 VanDerWaalsContact CB-OD2 3.23Å; S103-D106 WeakPolarHBondContact CB-OD2 3.43Å; S103-D106 PolarHBondContact N-OD2 3.35Å; S103-D106 PolarHBondContact O-N 3.02Å; S103-D106 VanDerWaalsContact O-N 3.12Å; S103-D106 PolarHBondContact OG-N 3.4Å; S103-D106 VanDerWaalsContact OG-N 3.09Å; S103-D106 PolarHBondContact OG-OD2 3.02Å; D106-Y110 WeakPolarHBondContact O-CB 3.4Å; D106-Y110 PolarHBondContact O-N 3.39Å
107I91.4Very high91.7Very high0 Ų051.9 Ų51.90%024%0.239CC..Hα-helixtrans-65.4-49.6179.6-62165.7000111.9G101 S103 M104 Q105 Y110 T111 L151 L294 L295G101-I107 WeakPolarHBondContact O-CD1 3.45Å; S103-I107 WeakPolarHBondContact O-CG1 3.06Å; S103-I107 PolarHBondContact O-N 3.36Å; S103-I107 VanDerWaalsContact O-N 3.1Å; M104-I107 HydrophobicContact SD-CD1 4.17Å; Q105-I107 PolarHBondContact O-N 2.87Å; I107-Y110 PolarHBondContact O-N 3.46Å; I107-T111 HydrophobicContact CG2-CG2 4.39Å; I107-T111 WeakPolarHBondContact O-CB 3.49Å; I107-T111 WeakPolarHBondContact O-CG2 3.36Å; I107-T111 PolarHBondContact O-N 3.35Å; I107-T111 PolarHBondContact O-OG1 2.88Å; I107-L151 HydrophobicContact CD1-CD1 3.48Å; I107-L151 VanDerWaalsContact CD1-CD1 3.48Å; I107-L151 HydrophobicContact CD1-CG 3.97Å; I107-L294 HydrophobicContact CG2-CD1 3.87Å; I107-L294 HydrophobicContact CG2-CD2 3.69Å; I107-L294 HydrophobicContact CG2-CG 3.59Å; I107-L295 HydrophobicContact CD1-CD2 4.14Å
108Y90.7Very high91.8Very high3 Ų354 Ų541%0.01225%0.251CS..Hα-helixtrans-72.7-31.1-17874.9-121.5000112.7M104 Q105 R112 E214 Y215 L218M104-Y108 WeakPolarHBondContact O-CD1 3.04Å; M104-Y108 PolarHBondContact O-N 3.07Å; Q105-Y108 HydrophobicContact CB-CE1 4.04Å; Q105-Y108 HydrophobicContact CG-CE1 4.45Å; Q105-Y108 HydrophobicContact CG-CE2 4.41Å; Q105-Y108 PolarHBondContact NE2-OH 2.67Å; Q105-Y108 PolarHBondContact O-N 3.48Å; Y108-R112 WeakPolarHBondContact O-CA 3.26Å; Y108-R112 PolarHBondContact O-N 2.84Å; Y108-E214 HydrophobicContact CE1-CG 3.78Å; Y108-E214 WeakPolarHBondContact CE1-OE1 3.33Å; Y108-E214 VanDerWaalsContact OH-CG 3.29Å; Y108-E214 WeakPolarHBondContact OH-CG 3.31Å; Y108-E214 PolarHBondContact OH-OE1 2.95Å; Y108-Y215 AromaticContact CD1-CD1 3.93Å; Y108-Y215 HydrophobicContact CD1-CD1 3.93Å; Y108-Y215 HydrophobicContact CD1-CE1 4.33Å; Y108-Y215 HydrophobicContact CE1-CD1 4.02Å; Y108-Y215 HydrophobicContact CE1-CE1 4.25Å; Y108-L218 HydrophobicContact CD2-CB 4.44Å; Y108-L218 HydrophobicContact CD2-CD2 3.67Å; Y108-L218 HydrophobicContact CG-CD2 3.94Å
109L87.7Confident91.9Very high91 Ų9151.9 Ų51.948%0.47624%0.244SC..Hα-helixtrans-69.8-39.7173.8-69.8177.9000112Q105 R112Q105-L109 HydrophobicContact CG-CD1 3.56Å; Q105-L109 HydrophobicContact CG-CG 4.11Å; Q105-L109 VanDerWaalsContact O-CB 3.32Å; Q105-L109 WeakPolarHBondContact O-CB 3.47Å; Q105-L109 VanDerWaalsContact O-CG 3.26Å; Q105-L109 WeakPolarHBondContact O-CG 2.96Å; Q105-L109 PolarHBondContact O-N 3.17Å; L109-R112 WeakPolarHBondContact O-CG 3.28Å
110Y87.4Confident92Very high93 Ų9351.3 Ų51.337%0.36524%0.24SC..Hα-helixtrans-70.7-47.9177.3-169.6-89.4000111.9D106 I107 R112 R298 L301 E302D106-Y110 WeakPolarHBondContact O-CB 3.4Å; D106-Y110 PolarHBondContact O-N 3.39Å; I107-Y110 PolarHBondContact O-N 3.46Å; Y110-R112 VanDerWaalsContact C-N 3.31Å; Y110-R112 PolarHBondContact O-N 3.29Å; Y110-R298 HydrophobicContact CD1-CG 3.9Å; Y110-R298 HydrophobicContact CE1-CG 4.33Å; Y110-L301 HydrophobicContact CE1-CB 3.88Å; Y110-E302 HydrophobicContact CE1-CG 3.69Å; Y110-E302 HydrophobicContact CE2-CG 4.39Å; Y110-E302 WeakPolarHBondContact OH-CA 3.49Å; Y110-E302 WeakPolarHBondContact OH-CG 3.31Å
111T87.9Confident92.3Very high10 Ų1050.6 Ų50.66%0.06123%0.233CC..Hα-helixtrans-74.6-18.7-17957.90000114I107 R113 Y297 R298 L301I107-T111 HydrophobicContact CG2-CG2 4.39Å; I107-T111 WeakPolarHBondContact O-CB 3.49Å; I107-T111 WeakPolarHBondContact O-CG2 3.36Å; I107-T111 PolarHBondContact O-N 3.35Å; I107-T111 PolarHBondContact O-OG1 2.88Å; T111-R113 PolarHBondContact O-N 3.25Å; T111-R113 VanDerWaalsContact O-N 3.14Å; T111-Y297 HydrophobicContact CG2-CD1 3.88Å; T111-Y297 HydrophobicContact CG2-CE1 3.96Å; T111-R298 HydrophobicContact CG2-CB 4.18Å; T111-L301 HydrophobicContact CG2-CD1 4.25Å
112R87.4Confident92.6Very high199 Ų19950.5 Ų50.575%0.75123%0.231SC*.  trans51.431.2179.8-58.6-174.1-177-176.85114.5Y108 L109 Y110Y108-R112 WeakPolarHBondContact O-CA 3.26Å; Y108-R112 PolarHBondContact O-N 2.84Å; L109-R112 WeakPolarHBondContact O-CG 3.28Å; Y110-R112 VanDerWaalsContact C-N 3.31Å; Y110-R112 PolarHBondContact O-N 3.29Å
113R84.5Confident92.9Very high148 Ų14846.8 Ų46.856%0.55821%0.214SC*.SBendtrans-131.5134-179.3-73.3-177.2178.8-173.50.6110.8T111 Y297T111-R113 PolarHBondContact O-N 3.25Å; T111-R113 VanDerWaalsContact O-N 3.14Å; R113-Y297 PolarHBondContact NE-OH 2.99Å; R113-Y297 PolarHBondContact NH1-OH 3.43Å
114P91.4Very high93Very high51 Ų5146.6 Ų46.633%0.33121%0.213SC..PPolyproline II helixtrans-51.7143.9166-28.837.8000111.8A216 L218 W250P114-A216 WeakPolarHBondContact CB-O 3.2Å; P114-L218 HydrophobicContact CG-CD1 4.47Å; P114-L218 HydrophobicContact CG-CG 4.33Å; P114-W250 HydrophobicContact CB-CH2 4.31Å
115L94.2Very high93.2Very high8 Ų849 Ų494%0.04222%0.222CC..PPolyproline II helixtrans-77.3151.2178.7-59.3-176000111.6M104 I120 Y215 L294M104-L115 HydrophobicContact CE-CD1 3.36Å; L115-I120 HydrophobicContact CB-CD1 4.16Å; L115-I120 HydrophobicContact CB-CG1 3.75Å; L115-Y215 HydrophobicContact CD1-CD1 4.29Å; L115-Y215 HydrophobicContact CD1-CD2 4.39Å; L115-Y215 HydrophobicContact CD1-CG 3.99Å; L115-Y215 PolarHBondContact N-O 3.22Å; L115-L294 HydrophobicContact CD1-CD2 4.36Å; L115-L294 HydrophobicContact CD2-CD1 3.68Å; L115-L294 HydrophobicContact CD2-CD2 3.77Å; L115-L294 HydrophobicContact CD2-CG 4.4Å
116E93.8Very high93.5Very high124 Ų12447.2 Ų47.258%0.57921%0.214SC*.PPolyproline II helixtrans-68.6147.7174.4-62.3178.3164.500110.9D118 C119 I120E116-D118 VanDerWaalsContact C-N 3.34Å; E116-D118 PolarHBondContact O-N 2.94Å; E116-C119 HydrophobicContact CB-CB 4.42Å; E116-C119 WeakPolarHBondContact O-CA 3.33Å; E116-C119 WeakPolarHBondContact O-CB 3.47Å; E116-C119 PolarHBondContact O-N 3.38Å; E116-I120 WeakPolarHBondContact O-CG1 3.07Å; E116-I120 PolarHBondContact O-N 3.49Å
117E95.8Very high93.8Very high41 Ų4144.2 Ų44.219%0.19220%0.198CC..Hα-helixtrans-57-42.3-176.2-82.2-167.4-150.500113.5C119 I120 A121 W250 S251 F254 F280E117-C119 VanDerWaalsContact C-N 3.3Å; E117-C119 PolarHBondContact O-N 3.1Å; E117-I120 PolarHBondContact O-N 3.16Å; E117-A121 VanDerWaalsContact O-CB 3.27Å; E117-A121 WeakPolarHBondContact O-CB 3.4Å; E117-A121 PolarHBondContact O-N 3.09Å; E117-W250 HydrophobicContact CG-CE3 3.71Å; E117-W250 HydrophobicContact CG-CZ3 3.99Å; E117-W250 VanDerWaalsContact OE1-CA 3.25Å; E117-W250 WeakPolarHBondContact OE1-CA 3.46Å; E117-S251 PolarHBondContact OE1-N 2.91Å; E117-S251 WeakPolarHBondContact OE2-CB 3.1Å; E117-S251 PolarHBondContact OE2-OG 3.08Å; E117-F254 HydrophobicContact CG-CB 4.49Å; E117-F254 HydrophobicContact CG-CD1 3.77Å; E117-F254 HydrophobicContact CG-CE1 4.33Å; E117-F254 HydrophobicContact CG-CG 4.34Å; E117-F254 WeakPolarHBondContact OE2-CB 3.33Å; E117-F280 HydrophobicContact CB-CE2 4.14Å; E117-F280 HydrophobicContact CB-CZ 4.48Å; E117-F280 HydrophobicContact CG-CE2 4.4Å
118D96.6Very high94.1Very high73 Ų7344.2 Ų44.239%0.3920%0.198SC..Hα-helixtrans-62.8-37.4176.1-78.9-35.7000111.4E116 A121 F122 N283 L286 L290E116-D118 VanDerWaalsContact C-N 3.34Å; E116-D118 PolarHBondContact O-N 2.94Å; D118-A121 PolarHBondContact O-N 3.39Å; D118-F122 WeakPolarHBondContact O-CB 3.17Å; D118-F122 PolarHBondContact O-N 3.26Å; D118-N283 PolarHBondContact OD1-ND2 3.08Å; D118-N283 VanDerWaalsContact OD1-ND2 3.1Å; D118-L286 HydrophobicContact CB-CD2 3.63Å; D118-L286 VanDerWaalsContact O-CD2 3.26Å; D118-L286 WeakPolarHBondContact O-CD2 2.79Å; D118-L286 WeakPolarHBondContact OD1-CD2 3.13Å; D118-L290 HydrophobicContact CB-CD1 4.01Å; D118-L290 HydrophobicContact CB-CD2 4Å
119C96.7Very high94.5Very high6 Ų646.9 Ų46.94%0.04121%0.21CC..Hα-helixtrans-65.6-44.5175.2-169.80000111.2E116 E117 A121 F122 V123E116-C119 HydrophobicContact CB-CB 4.42Å; E116-C119 WeakPolarHBondContact O-CA 3.33Å; E116-C119 WeakPolarHBondContact O-CB 3.47Å; E116-C119 PolarHBondContact O-N 3.38Å; E117-C119 VanDerWaalsContact C-N 3.3Å; E117-C119 PolarHBondContact O-N 3.1Å; C119-A121 VanDerWaalsContact C-N 3.33Å; C119-A121 PolarHBondContact O-N 3.44Å; C119-F122 PolarHBondContact O-N 3Å; C119-V123 WeakPolarHBondContact O-CB 3.42Å; C119-V123 VanDerWaalsContact O-CG2 3.31Å; C119-V123 WeakPolarHBondContact O-CG2 3.29Å; C119-V123 PolarHBondContact O-N 3.17Å
120I97.8Very high94.8Very high0 Ų042.5 Ų42.50%019%0.188CC..Hα-helixtrans-61-42.8174.6-63.5176.5000110.7L115 E116 E117 S124 A212 Y215 A216 F254 F280L115-I120 HydrophobicContact CB-CD1 4.16Å; L115-I120 HydrophobicContact CB-CG1 3.75Å; E116-I120 WeakPolarHBondContact O-CG1 3.07Å; E116-I120 PolarHBondContact O-N 3.49Å; E117-I120 PolarHBondContact O-N 3.16Å; I120-S124 WeakPolarHBondContact O-CB 3.34Å; I120-S124 PolarHBondContact O-N 3.33Å; I120-S124 PolarHBondContact O-OG 2.87Å; I120-A212 HydrophobicContact CG2-CB 4.27Å; I120-Y215 HydrophobicContact CG1-CD2 4.36Å; I120-Y215 HydrophobicContact CG2-CD2 4.37Å; I120-A216 HydrophobicContact CD1-CB 4.17Å; I120-F254 HydrophobicContact CD1-CE1 4.12Å; I120-F254 HydrophobicContact CD1-CZ 3.87Å; I120-F254 HydrophobicContact CG2-CE2 3.78Å; I120-F254 HydrophobicContact CG2-CZ 3.83Å; I120-F280 HydrophobicContact CG2-CE1 4.32Å; I120-F280 HydrophobicContact CG2-CZ 4.32Å
121A98.1Very high95.2Very high0 Ų038.1 Ų38.10%017%0.17CC..Hα-helixtrans-64.9-46.3179.200000112.2E117 D118 C119 S124 R125 F280 I281 L286E117-A121 VanDerWaalsContact O-CB 3.27Å; E117-A121 WeakPolarHBondContact O-CB 3.4Å; E117-A121 PolarHBondContact O-N 3.09Å; D118-A121 PolarHBondContact O-N 3.39Å; C119-A121 VanDerWaalsContact C-N 3.33Å; C119-A121 PolarHBondContact O-N 3.44Å; A121-S124 PolarHBondContact O-N 3.22Å; A121-R125 WeakPolarHBondContact O-CB 3.46Å; A121-R125 PolarHBondContact O-N 3.39Å; A121-F280 HydrophobicContact CB-CD1 4.06Å; A121-F280 HydrophobicContact CB-CD2 4.42Å; A121-F280 HydrophobicContact CB-CE1 3.73Å; A121-F280 HydrophobicContact CB-CE2 4.11Å; A121-F280 HydrophobicContact CB-CG 4.4Å; A121-F280 HydrophobicContact CB-CZ 3.75Å; A121-F280 WeakPolarHBondContact CB-O 3.36Å; A121-I281 HydrophobicContact CB-CG2 4.08Å; A121-I281 WeakPolarHBondContact O-CG2 3.24Å; A121-L286 HydrophobicContact CB-CD1 3.66Å; A121-L286 HydrophobicContact CB-CD2 4.07Å
122F98Very high95.6Very high1 Ų139.5 Ų39.50%0.00418%0.177CC..Hα-helixtrans-60-55.1174.8175.3-103.2000111.2D118 C119 S124 R125 E126 V157 L286 T288 L290 T291D118-F122 WeakPolarHBondContact O-CB 3.17Å; D118-F122 PolarHBondContact O-N 3.26Å; C119-F122 PolarHBondContact O-N 3Å; F122-S124 VanDerWaalsContact C-N 3.25Å; F122-S124 PolarHBondContact O-N 3.28Å; F122-R125 VanDerWaalsContact CE2-NH2 3.32Å; F122-R125 WeakPolarHBondContact O-CB 3.36Å; F122-R125 PolarHBondContact O-N 2.88Å; F122-E126 HydrophobicContact CD1-CG 4.48Å; F122-E126 HydrophobicContact CD2-CG 4.2Å; F122-E126 HydrophobicContact CE1-CG 4.1Å; F122-E126 HydrophobicContact CE2-CG 3.79Å; F122-E126 HydrophobicContact CZ-CG 3.74Å; F122-E126 WeakPolarHBondContact O-CG 3.44Å; F122-E126 PolarHBondContact O-N 3.08Å; F122-V157 HydrophobicContact CD1-CG2 4.25Å; F122-V157 HydrophobicContact CE1-CG2 3.75Å; F122-L286 HydrophobicContact CB-CB 4.28Å; F122-L286 HydrophobicContact CB-CD2 4.44Å; F122-L286 HydrophobicContact CD2-CB 4.36Å; F122-T288 HydrophobicContact CZ-CG2 4.44Å; F122-L290 HydrophobicContact CB-CD1 3.83Å; F122-L290 HydrophobicContact CG-CD1 4.35Å; F122-T291 HydrophobicContact CD1-CG2 3.89Å; F122-T291 HydrophobicContact CE1-CG2 3.81Å; F122-T291 WeakPolarHBondContact CE1-OG1 3.49Å
123V98Very high95.9Very high1 Ų131.6 Ų31.61%0.00615%0.148CC..Hα-helixtrans-60-37.1-179.8175.80000111.5M104 C119 T127 I149 V157 Y215 T291M104-V123 HydrophobicContact CE-CG1 4.41Å; M104-V123 HydrophobicContact CE-CG2 3.99Å; M104-V123 HydrophobicContact CG-CG1 4.21Å; M104-V123 HydrophobicContact SD-CG1 4.35Å; M104-V123 HydrophobicContact SD-CG2 4.17Å; C119-V123 WeakPolarHBondContact O-CB 3.42Å; C119-V123 VanDerWaalsContact O-CG2 3.31Å; C119-V123 WeakPolarHBondContact O-CG2 3.29Å; C119-V123 PolarHBondContact O-N 3.17Å; V123-T127 VanDerWaalsContact O-CB 3.29Å; V123-T127 WeakPolarHBondContact O-CB 3.43Å; V123-T127 PolarHBondContact O-N 3.12Å; V123-T127 PolarHBondContact O-OG1 3.46Å; V123-I149 HydrophobicContact CG1-CG2 3.98Å; V123-V157 HydrophobicContact CB-CG2 4.47Å; V123-V157 HydrophobicContact CG1-CG1 4.06Å; V123-V157 HydrophobicContact CG2-CG2 3.99Å; V123-Y215 HydrophobicContact CB-CE2 4.35Å; V123-Y215 HydrophobicContact CG1-CE2 3.71Å; V123-T291 HydrophobicContact CG2-CG2 3.81Å
124S98.3Very high96.2Very high4 Ų424.6 Ų24.63%0.02812%0.122CC..Hα-helixtrans-65.2-40.8173.6-61.30000112.7I120 A121 F122 L128I120-S124 WeakPolarHBondContact O-CB 3.34Å; I120-S124 PolarHBondContact O-N 3.33Å; I120-S124 PolarHBondContact O-OG 2.87Å; A121-S124 PolarHBondContact O-N 3.22Å; F122-S124 VanDerWaalsContact C-N 3.25Å; F122-S124 PolarHBondContact O-N 3.28Å; S124-L128 WeakPolarHBondContact O-CB 3.31Å; S124-L128 WeakPolarHBondContact O-CD1 3.38Å; S124-L128 VanDerWaalsContact O-CG 3.26Å; S124-L128 WeakPolarHBondContact O-CG 3.35Å; S124-L128 PolarHBondContact O-N 3.11Å
125R98.2Very high96.1Very high50 Ų5023.9 Ų23.919%0.18911%0.114CC..Hα-helixtrans-60.6-53.5176.9-169.6-175.770.4-160.1-1111.6A121 F122 T127 L128 Q129 L276 I281 L286A121-R125 WeakPolarHBondContact O-CB 3.46Å; A121-R125 PolarHBondContact O-N 3.39Å; F122-R125 VanDerWaalsContact CE2-NH2 3.32Å; F122-R125 WeakPolarHBondContact O-CB 3.36Å; F122-R125 PolarHBondContact O-N 2.88Å; R125-T127 VanDerWaalsContact C-N 3.31Å; R125-T127 PolarHBondContact O-N 3.45Å; R125-L128 PolarHBondContact O-N 3.17Å; R125-L128 VanDerWaalsContact O-N 3.13Å; R125-Q129 WeakPolarHBondContact O-CG 3.41Å; R125-Q129 PolarHBondContact O-N 3.3Å; R125-L276 HydrophobicContact CG-CD2 4.06Å; R125-I281 HydrophobicContact CB-CB 4.13Å; R125-I281 HydrophobicContact CB-CD1 4.22Å; R125-I281 VanDerWaalsContact CD-O 3.32Å; R125-I281 WeakPolarHBondContact CD-O 3.48Å; R125-I281 HydrophobicContact CG-CD1 4.32Å; R125-L286 PolarHBondContact NH1-O 2.92Å; R125-L286 PolarHBondContact NH2-O 2.84Å
126E98.1Very high95.9Very high19 Ų1929.1 Ų29.19%0.08914%0.142CC..Hα-helixtrans-63.3-39.1-177.9-58.3-54.8117.100111N78 F122 Q129 G130 V157N78-E126 WeakPolarHBondContact CB-O 3.18Å; N78-E126 WeakPolarHBondContact ND2-CB 3.4Å; N78-E126 PolarHBondContact ND2-OE2 2.8Å; F122-E126 HydrophobicContact CD1-CG 4.48Å; F122-E126 HydrophobicContact CD2-CG 4.2Å; F122-E126 HydrophobicContact CE1-CG 4.1Å; F122-E126 HydrophobicContact CE2-CG 3.79Å; F122-E126 HydrophobicContact CZ-CG 3.74Å; F122-E126 WeakPolarHBondContact O-CG 3.44Å; F122-E126 PolarHBondContact O-N 3.08Å; E126-Q129 PolarHBondContact O-N 2.8Å; E126-Q129 PolarHBondContact OE2-OE1 3.09Å; E126-G130 PolarHBondContact O-N 3.44Å; E126-G130 VanDerWaalsContact O-N 3.16Å; E126-V157 HydrophobicContact CB-CB 3.62Å; E126-V157 HydrophobicContact CB-CG1 3.89Å; E126-V157 HydrophobicContact CB-CG2 4.16Å; E126-V157 HydrophobicContact CG-CB 4.11Å; E126-V157 HydrophobicContact CG-CG2 4.18Å
127T98.1Very high95.5Very high6 Ų629 Ų294%0.03714%0.137CC..Hα-helixtrans-60.5-45.3172.1-590000111.6V123 R125 Q129 G130 L131 I149 V159 V208V123-T127 VanDerWaalsContact O-CB 3.29Å; V123-T127 WeakPolarHBondContact O-CB 3.43Å; V123-T127 PolarHBondContact O-N 3.12Å; V123-T127 PolarHBondContact O-OG1 3.46Å; R125-T127 VanDerWaalsContact C-N 3.31Å; R125-T127 PolarHBondContact O-N 3.45Å; T127-Q129 VanDerWaalsContact C-N 3.35Å; T127-Q129 PolarHBondContact O-N 3.04Å; T127-G130 PolarHBondContact O-N 3.21Å; T127-L131 HydrophobicContact CG2-CD1 4.17Å; T127-L131 WeakPolarHBondContact O-CG 3.26Å; T127-L131 PolarHBondContact O-N 3.41Å; T127-I149 HydrophobicContact CG2-CD1 3.68Å; T127-V159 HydrophobicContact CG2-CG2 4.13Å; T127-V208 HydrophobicContact CG2-CG2 4.02Å
128L98.2Very high94.7Very high0 Ų030.3 Ų30.30%016%0.161CC..Hα-helixtrans-68-30.6178.7-76.4165.3000112.9S124 R125 L131 N132 I205 V208 F257 A272 M275 L276 I281S124-L128 WeakPolarHBondContact O-CB 3.31Å; S124-L128 WeakPolarHBondContact O-CD1 3.38Å; S124-L128 VanDerWaalsContact O-CG 3.26Å; S124-L128 WeakPolarHBondContact O-CG 3.35Å; S124-L128 PolarHBondContact O-N 3.11Å; R125-L128 PolarHBondContact O-N 3.17Å; R125-L128 VanDerWaalsContact O-N 3.13Å; L128-L131 PolarHBondContact O-N 3.4Å; L128-N132 VanDerWaalsContact O-CB 3.24Å; L128-N132 WeakPolarHBondContact O-CB 3.35Å; L128-N132 PolarHBondContact O-N 3.28Å; L128-I205 HydrophobicContact CD2-CD1 3.62Å; L128-V208 HydrophobicContact CD1-CG1 4.47Å; L128-V208 HydrophobicContact CD2-CG1 4.48Å; L128-V208 HydrophobicContact CD2-CG2 4.24Å; L128-V208 HydrophobicContact CG-CG1 4.35Å; L128-F257 HydrophobicContact CD1-CE2 4.04Å; L128-F257 HydrophobicContact CD1-CZ 3.94Å; L128-A272 HydrophobicContact CD2-CB 4.32Å; L128-M275 HydrophobicContact CD1-CB 3.8Å; L128-M275 HydrophobicContact CD2-CB 4.05Å; L128-L276 HydrophobicContact CB-CD2 3.73Å; L128-L276 HydrophobicContact CB-CG 3.98Å; L128-I281 HydrophobicContact CD1-CD1 3.6Å
129Q97.8Very high93.9Very high59 Ų5928.9 Ų28.928%0.27615%0.15SC..Hα-helixtrans-65-45.6171.8-68.1166.6-13.400111.1N78 R125 E126 T127 N132 F133 L276N78-Q129 PolarHBondContact OD1-OE1 3.44Å; R125-Q129 WeakPolarHBondContact O-CG 3.41Å; R125-Q129 PolarHBondContact O-N 3.3Å; E126-Q129 PolarHBondContact O-N 2.8Å; E126-Q129 PolarHBondContact OE2-OE1 3.09Å; T127-Q129 VanDerWaalsContact C-N 3.35Å; T127-Q129 PolarHBondContact O-N 3.04Å; Q129-N132 PolarHBondContact O-N 3.14Å; Q129-F133 PolarHBondContact O-N 3.03Å; Q129-F133 VanDerWaalsContact O-N 3.08Å; Q129-L276 HydrophobicContact CG-CD1 4.26Å; Q129-L276 HydrophobicContact CG-CD2 3.74Å
130G95.6Very high93.1Very high0 Ų030.4 Ų30.40%016%0.157CC..Hα-helixtrans-59.6-46.117300000112.9E126 T127 F133 M134E126-G130 PolarHBondContact O-N 3.44Å; E126-G130 VanDerWaalsContact O-N 3.16Å; T127-G130 PolarHBondContact O-N 3.21Å; G130-F133 WeakPolarHBondContact O-CB 3.42Å; G130-F133 PolarHBondContact O-N 3.13Å; G130-M134 PolarHBondContact O-N 3.45Å; G130-M134 VanDerWaalsContact O-N 3.13Å
131L95Very high92.5Very high0 Ų030.4 Ų30.40%016%0.157CC..Hα-helixtrans-63.3-42.2176.1-72.8174.6000112.6T127 L128 F133 M134 H135 H141 I144 D204 V208 A272T127-L131 HydrophobicContact CG2-CD1 4.17Å; T127-L131 WeakPolarHBondContact O-CG 3.26Å; T127-L131 PolarHBondContact O-N 3.41Å; L128-L131 PolarHBondContact O-N 3.4Å; L131-F133 VanDerWaalsContact C-N 3.31Å; L131-F133 PolarHBondContact O-N 3.13Å; L131-M134 HydrophobicContact CD2-SD 4.44Å; L131-M134 WeakPolarHBondContact O-CB 3.36Å; L131-M134 PolarHBondContact O-N 2.89Å; L131-M134 VanDerWaalsContact O-N 3.13Å; L131-H135 WeakPolarHBondContact O-CB 3.39Å; L131-H135 PolarHBondContact O-CD2 3.46Å; L131-H135 VanDerWaalsContact O-CD2 3.3Å; L131-H135 PolarHBondContact O-N 3.32Å; L131-H141 HydrophobicContact CD2-CB 3.9Å; L131-I144 HydrophobicContact CD1-CD1 4.44Å; L131-I144 HydrophobicContact CD1-CG1 4.38Å; L131-I144 HydrophobicContact CD2-CD1 4.01Å; L131-I144 HydrophobicContact CD2-CG1 4.2Å; L131-D204 HydrophobicContact CD1-CB 3.96Å; L131-D204 HydrophobicContact CD2-CB 3.74Å; L131-D204 HydrophobicContact CG-CB 4.47Å; L131-V208 HydrophobicContact CD1-CG2 3.55Å; L131-A272 HydrophobicContact CB-CB 4.35Å
132N95.8Very high91.8Very high39 Ų3934.5 Ų34.521%0.20917%0.173CC..Hα-helixtrans-57.9-44.7175.6-171.832.4000111.3L128 Q129 M134 H135 N136 A272 L276L128-N132 VanDerWaalsContact O-CB 3.24Å; L128-N132 WeakPolarHBondContact O-CB 3.35Å; L128-N132 PolarHBondContact O-N 3.28Å; Q129-N132 PolarHBondContact O-N 3.14Å; N132-M134 VanDerWaalsContact C-N 3.32Å; N132-M134 PolarHBondContact O-N 3.25Å; N132-H135 PolarHBondContact O-N 3.13Å; N132-N136 WeakPolarHBondContact O-CB 3.29Å; N132-N136 VanDerWaalsContact O-CG 3.24Å; N132-N136 PolarHBondContact O-N 3.32Å; N132-N136 PolarHBondContact O-ND2 3.1Å; N132-N136 PolarHBondContact OD1-ND2 3.34Å; N132-A272 HydrophobicContact CB-CB 3.65Å; N132-L276 HydrophobicContact CB-CD1 4Å
133F94Very high91.2Very high33 Ų3335.3 Ų35.315%0.14518%0.177CC..Hα-helixtrans-59.9-39.8175.8177.9-78.8000112.8R75 H76 I79 Q129 G130 L131 R137R75-F133 VanDerWaalsContact O-CE2 3.27Å; R75-F133 WeakPolarHBondContact O-CE2 3.35Å; R75-F133 WeakPolarHBondContact O-CZ 3.21Å; H76-F133 HydrophobicContact CB-CB 4.31Å; H76-F133 HydrophobicContact CB-CD1 4Å; H76-F133 HydrophobicContact CB-CD2 3.93Å; H76-F133 HydrophobicContact CB-CE1 4.33Å; H76-F133 HydrophobicContact CB-CE2 4.2Å; H76-F133 HydrophobicContact CB-CG 3.81Å; H76-F133 HydrophobicContact CB-CZ 4.4Å; H76-F133 AromaticContact CD2-CD2 3.32Å; H76-F133 WeakPolarHBondContact CD2-CD2 3.46Å; H76-F133 AromaticContact CD2-CG 3.68Å; H76-F133 AromaticContact CG-CD2 3.85Å; H76-F133 AromaticContact CG-CG 3.81Å; I79-F133 HydrophobicContact CD1-CD1 3.88Å; I79-F133 HydrophobicContact CD1-CE1 4.5Å; Q129-F133 PolarHBondContact O-N 3.03Å; Q129-F133 VanDerWaalsContact O-N 3.08Å; G130-F133 WeakPolarHBondContact O-CB 3.42Å; G130-F133 PolarHBondContact O-N 3.13Å; L131-F133 VanDerWaalsContact C-N 3.31Å; L131-F133 PolarHBondContact O-N 3.13Å; F133-R137 VanDerWaalsContact CZ-NH1 3.26Å
134M90.5Very high90.9Very high1 Ų135.4 Ų35.41%0.00518%0.178CC..Hα-helixtrans-68.7-48175.6-71.9-17572.600112.6I79 G130 L131 N132 N136 R137 G138 R139 H141 F162I79-M134 HydrophobicContact CD1-CG 3.85Å; G130-M134 PolarHBondContact O-N 3.45Å; G130-M134 VanDerWaalsContact O-N 3.13Å; L131-M134 HydrophobicContact CD2-SD 4.44Å; L131-M134 WeakPolarHBondContact O-CB 3.36Å; L131-M134 PolarHBondContact O-N 2.89Å; L131-M134 VanDerWaalsContact O-N 3.13Å; N132-M134 VanDerWaalsContact C-N 3.32Å; N132-M134 PolarHBondContact O-N 3.25Å; M134-N136 VanDerWaalsContact C-N 3.31Å; M134-N136 PolarHBondContact O-N 3.38Å; M134-R137 CarbonylContact O-C 3.52Å; M134-R137 WeakPolarHBondContact O-CA 3.34Å; M134-R137 WeakPolarHBondContact O-CB 3.44Å; M134-R137 PolarHBondContact O-N 3.01Å; M134-G138 PolarHBondContact O-N 2.84Å; M134-R139 CarbonylContact C-O 3.57Å; M134-R139 HydrophobicContact CB-CB 4.23Å; M134-R139 HydrophobicContact CE-CB 3.97Å; M134-R139 PolarHBondContact O-N 3.21Å; M134-H141 HydrophobicContact CE-CB 4.41Å; M134-H141 HydrophobicContact SD-CB 4.43Å; M134-F162 HydrophobicContact CE-CD1 3.54Å; M134-F162 HydrophobicContact CE-CE1 4Å; M134-F162 HydrophobicContact SD-CD1 3.71Å; M134-F162 HydrophobicContact SD-CE1 3.51Å; M134-F162 VanDerWaalsContact SD-CE1 3.51Å
135H90.2Very high90.7Very high36 Ų3636.4 Ų36.417%0.16718%0.181CC..Hα-helixtrans-63-40.1-175.6-66.9178.8000110.7L131 N132 R137 G138 R139 G201 D204L131-H135 WeakPolarHBondContact O-CB 3.39Å; L131-H135 PolarHBondContact O-CD2 3.46Å; L131-H135 VanDerWaalsContact O-CD2 3.3Å; L131-H135 PolarHBondContact O-N 3.32Å; N132-H135 PolarHBondContact O-N 3.13Å; H135-R137 PolarHBondContact O-N 2.96Å; H135-R137 VanDerWaalsContact O-N 3.12Å; H135-G138 PolarHBondContact O-N 3.44Å; H135-R139 PolarHBondContact CD2-O 2.86Å; H135-G201 PolarHBondContact CE1-O 2.73Å; H135-G201 PolarHBondContact NE2-O 2.94Å; H135-D204 IonicContact CD2-OD2 2.8Å; H135-D204 IonicContact CE1-OD2 3.49Å; H135-D204 IonicContact NE2-OD2 3.27Å; H135-D204 PolarHBondContact NE2-OD2 3.44Å
136N89.9Confident90.4Very high118 Ų11834 Ų3463%0.63117%0.173SC*.THydrogen-bonded Turntrans-66.2-8.7173.3-67.8-36.8000114.1N132 M134N132-N136 WeakPolarHBondContact O-CB 3.29Å; N132-N136 VanDerWaalsContact O-CG 3.24Å; N132-N136 PolarHBondContact O-N 3.32Å; N132-N136 PolarHBondContact O-ND2 3.1Å; N132-N136 PolarHBondContact OD1-ND2 3.34Å; M134-N136 VanDerWaalsContact C-N 3.31Å; M134-N136 PolarHBondContact O-N 3.38Å
137R84.9Confident90Very high123 Ų12334.5 Ų34.546%0.46418%0.179SC..THydrogen-bonded Turntrans-107.59.8170.7-73.1174.6168.866.34.4113.2F133 M134 H135 R139F133-R137 VanDerWaalsContact CZ-NH1 3.26Å; M134-R137 CarbonylContact O-C 3.52Å; M134-R137 WeakPolarHBondContact O-CA 3.34Å; M134-R137 WeakPolarHBondContact O-CB 3.44Å; M134-R137 PolarHBondContact O-N 3.01Å; H135-R137 PolarHBondContact O-N 2.96Å; H135-R137 VanDerWaalsContact O-N 3.12Å; R137-R139 HydrophobicContact CB-CG 4.12Å; R137-R139 PolarHBondContact O-N 3.45Å
138G79.4Confident89.8Confident68 Ų6834.8 Ų34.870%0.70118%0.181SC*.THydrogen-bonded Turntrans65.821-176.300000114M134 H135M134-G138 PolarHBondContact O-N 2.84Å; H135-G138 PolarHBondContact O-N 3.44Å
139R79.9Confident89.7Confident43 Ų4334.8 Ų34.816%0.16218%0.181CC..  trans-99.4148175.2-49.5-59.3-171.8-175.83.6109H69 T70 E73 M134 H135 R137H69-R139 PolarHBondContact CD2-NH2 3.23Å; H69-R139 PolarHBondContact NE2-NH2 2.96Å; T70-R139 HydrophobicContact CG2-CB 4.2Å; T70-R139 HydrophobicContact CG2-CG 3.96Å; E73-R139 IonicContact OE1-NH2 2.71Å; E73-R139 IonicContact OE2-CZ 2.65Å; E73-R139 IonicContact OE2-NE 3.46Å; E73-R139 IonicContact OE2-NH2 2.64Å; E73-R139 PolarHBondContact OE2-NH2 2.83Å; M134-R139 CarbonylContact C-O 3.57Å; M134-R139 HydrophobicContact CB-CB 4.23Å; M134-R139 HydrophobicContact CE-CB 3.97Å; M134-R139 PolarHBondContact O-N 3.21Å; H135-R139 PolarHBondContact CD2-O 2.86Å; R137-R139 HydrophobicContact CB-CG 4.12Å; R137-R139 PolarHBondContact O-N 3.45Å
140I80.3Confident89.6Confident37 Ų3733.9 Ų33.919%0.1918%0.177CC..  trans-135.4135.7-176.3-55.3173.4000107.9R142 Y199 C203 D204I140-R142 HydrophobicContact CB-CG 4.34Å; I140-R142 HydrophobicContact CG2-CG 3.8Å; I140-Y199 HydrophobicContact CG2-CE2 4.35Å; I140-C203 VanDerWaalsContact CG2-SG 3.53Å; I140-D204 WeakPolarHBondContact CG2-OD2 3.22Å
141H85.2Confident89.7Confident0 Ų033.9 Ų33.90%018%0.177CC..  trans-77.5-45-173.2-160.9-80.2000113.8L131 M134 D143 I144 V159 A160 D161 F162 G163 D204L131-H141 HydrophobicContact CD2-CB 3.9Å; M134-H141 HydrophobicContact CE-CB 4.41Å; M134-H141 HydrophobicContact SD-CB 4.43Å; H141-D143 PolarHBondContact CE1-O 2.9Å; H141-D143 PolarHBondContact ND1-O 3.45Å; H141-D143 PolarHBondContact O-N 2.69Å; H141-I144 HydrophobicContact CB-CD1 3.93Å; H141-I144 HydrophobicContact CB-CG1 3.86Å; H141-I144 VanDerWaalsContact CG-CD1 3.44Å; H141-I144 WeakPolarHBondContact ND1-CD1 3.38Å; H141-V159 WeakPolarHBondContact CD2-CG1 3.41Å; H141-V159 VanDerWaalsContact NE2-CG1 3.3Å; H141-V159 WeakPolarHBondContact NE2-CG1 3.28Å; H141-A160 PolarHBondContact CE1-O 2.64Å; H141-A160 PolarHBondContact NE2-O 3.18Å; H141-D161 PolarHBondContact CE1-O 3.09Å; H141-F162 AromaticContact CD2-CD1 3.26Å; H141-F162 WeakPolarHBondContact CD2-CD1 3.4Å; H141-F162 AromaticContact CD2-CE1 3.45Å; H141-F162 VanDerWaalsContact CD2-CE1 3.45Å; H141-F162 WeakPolarHBondContact CD2-CE1 3.41Å; H141-F162 AromaticContact NE2-CD1 3.4Å; H141-F162 WeakPolarHBondContact NE2-CD1 3.46Å; H141-F162 AromaticContact NE2-CE1 3.59Å; H141-G163 VanDerWaalsContact O-CA 3.26Å; H141-G163 WeakPolarHBondContact O-CA 3.24Å; H141-G163 PolarHBondContact O-N 2.7Å; H141-D204 WeakPolarHBondContact CB-OD1 3.46Å; H141-D204 PolarHBondContact N-OD1 2.94Å; H141-D204 PolarHBondContact N-OD2 3.3Å
142R82.4Confident89.7Confident87 Ų8734.5 Ų34.533%0.32818%0.181SC..SBendtrans70.3-18.4176.3-50.1174.3174.3-159.4-8.5116.7I140 A166 Y199 D204I140-R142 HydrophobicContact CB-CG 4.34Å; I140-R142 HydrophobicContact CG2-CG 3.8Å; R142-A166 HydrophobicContact CB-CB 4.13Å; R142-Y199 VanDerWaalsContact CD-OH 3.26Å; R142-Y199 WeakPolarHBondContact CD-OH 3.42Å; R142-Y199 HydrophobicContact CG-CE2 4.14Å; R142-Y199 PolarHBondContact NE-OH 2.87Å; R142-Y199 VanDerWaalsContact NE-OH 3.16Å; R142-Y199 PolarHBondContact NH1-OH 3.19Å; R142-D204 PolarHBondContact N-OD1 3.15Å
143D84.7Confident89.6Confident17 Ų1736 Ų369%0.09119%0.19CC..  trans-134.964.7-179.1-166.535000110.8H141 K145 N148H141-D143 PolarHBondContact CE1-O 2.9Å; H141-D143 PolarHBondContact ND1-O 3.45Å; H141-D143 PolarHBondContact O-N 2.69Å; D143-K145 IonicContact OD1-NZ 2.7Å; D143-K145 PolarHBondContact OD1-NZ 3.38Å; D143-K145 WeakPolarHBondContact OD2-CE 3.46Å; D143-K145 IonicContact OD2-NZ 3.17Å; D143-K145 PolarHBondContact OD2-NZ 3.46Å; D143-N148 PolarHBondContact O-ND2 3.32Å; D143-N148 PolarHBondContact OD2-ND2 2.91Å
144I92.4Very high89.6Confident4 Ų439.1 Ų39.12%0.02121%0.207CC..  trans-91.5120175.4-68-69.1000109.5L131 H141 I149 V159 W184 D204 V208L131-I144 HydrophobicContact CD1-CD1 4.44Å; L131-I144 HydrophobicContact CD1-CG1 4.38Å; L131-I144 HydrophobicContact CD2-CD1 4.01Å; L131-I144 HydrophobicContact CD2-CG1 4.2Å; H141-I144 HydrophobicContact CB-CD1 3.93Å; H141-I144 HydrophobicContact CB-CG1 3.86Å; H141-I144 VanDerWaalsContact CG-CD1 3.44Å; H141-I144 WeakPolarHBondContact ND1-CD1 3.38Å; I144-I149 HydrophobicContact CD1-CD1 4.48Å; I144-V159 HydrophobicContact CD1-CG1 3.96Å; I144-W184 VanDerWaalsContact O-CD1 3.23Å; I144-D204 HydrophobicContact CG1-CB 4.26Å; I144-V208 HydrophobicContact CG2-CG2 4.03Å
145K93.1Very high89.8Confident25 Ų2539 Ų3911%0.10921%0.207CC..SBendtrans-163.3163.4-177.561.4-167.9179-147.60110.1D143 A147 N148 T181 W184 T211D143-K145 IonicContact OD1-NZ 2.7Å; D143-K145 PolarHBondContact OD1-NZ 3.38Å; D143-K145 WeakPolarHBondContact OD2-CE 3.46Å; D143-K145 IonicContact OD2-NZ 3.17Å; D143-K145 PolarHBondContact OD2-NZ 3.46Å; K145-A147 HydrophobicContact CG-CB 4.24Å; K145-A147 PolarHBondContact O-N 3.12Å; K145-A147 VanDerWaalsContact O-N 3.12Å; K145-N148 WeakPolarHBondContact CE-OD1 3.43Å; K145-N148 HydrophobicContact CG-CB 4.24Å; K145-N148 PolarHBondContact O-N 2.94Å; K145-T181 PolarHBondContact NZ-OG1 2.79Å; K145-T181 VanDerWaalsContact NZ-OG1 3.12Å; K145-W184 HydrophobicContact CB-CD2 3.75Å; K145-W184 VanDerWaalsContact CB-CE2 3.43Å; K145-W184 HydrophobicContact CB-CE3 4.46Å; K145-W184 HydrophobicContact CB-CG 3.9Å; K145-W184 HydrophobicContact CB-CZ2 3.89Å; K145-T211 WeakPolarHBondContact CA-OG1 3.49Å
146G93Very high90.1Very high0 Ų041.7 Ų41.70%022%0.22CC..G310 helixtrans-57.2-27.8-177.200000115.8M104 Q105 N148 E214M104-G146 PolarHBondContact N-O 3.18Å; Q105-G146 PolarHBondContact N-O 3.43Å; G146-N148 VanDerWaalsContact C-N 3.3Å; G146-N148 PolarHBondContact O-N 3.45Å; G146-E214 VanDerWaalsContact CA-OE1 3.31Å; G146-E214 WeakPolarHBondContact CA-OE1 3.24Å; G146-E214 PolarHBondContact N-OE1 3.2Å; G146-E214 PolarHBondContact N-OE2 2.91Å
147A90Very high90.5Very high28 Ų2836.1 Ų36.123%0.23119%0.19CC..G310 helixtrans-67.4-27.317400000113.9S103 Q105 K145S103-A147 WeakPolarHBondContact CB-O 3.25Å; Q105-A147 HydrophobicContact CB-CB 4.32Å; K145-A147 HydrophobicContact CG-CB 4.24Å; K145-A147 PolarHBondContact O-N 3.12Å; K145-A147 VanDerWaalsContact O-N 3.12Å
148N92.8Very high91.1Very high13 Ų1331.1 Ų31.17%0.0717%0.171CC..G310 helixtrans-100.19.2-174.9-68.26.4000112.3D143 K145 G146 A160D143-N148 PolarHBondContact O-ND2 3.32Å; D143-N148 PolarHBondContact OD2-ND2 2.91Å; K145-N148 WeakPolarHBondContact CE-OD1 3.43Å; K145-N148 HydrophobicContact CG-CB 4.24Å; K145-N148 PolarHBondContact O-N 2.94Å; G146-N148 VanDerWaalsContact C-N 3.3Å; G146-N148 PolarHBondContact O-N 3.45Å; N148-A160 PolarHBondContact O-N 2.97Å
149I96.2Very high91.8Very high0 Ų027.9 Ų27.90%014%0.138CC..EExtended strand (participates in β ladder)trans-114.3114.2172.6-53.4-60000107.6S103 M104 V123 T127 I144 V157 V159S103-I149 CarbonylContact C-O 3.54Å; S103-I149 WeakPolarHBondContact CA-O 3.47Å; M104-I149 HydrophobicContact CG-CB 4.04Å; M104-I149 HydrophobicContact CG-CG2 3.79Å; M104-I149 PolarHBondContact N-O 3.48Å; V123-I149 HydrophobicContact CG1-CG2 3.98Å; T127-I149 HydrophobicContact CG2-CD1 3.68Å; I144-I149 HydrophobicContact CD1-CD1 4.48Å; I149-V157 HydrophobicContact CG2-CG1 3.63Å; I149-V159 HydrophobicContact CD1-CG2 3.98Å
150L96.4Very high92.3Very high39 Ų3926.2 Ų26.220%0.20413%0.133CC..EExtended strand (participates in β ladder)trans-106.8155.8-176.1-50.2-175.5000111.7V80 C99 Q102 K158 A160V80-L150 HydrophobicContact CG2-CD1 4.12Å; C99-L150 HydrophobicContact CB-CB 3.72Å; C99-L150 HydrophobicContact CB-CD1 3.92Å; C99-L150 HydrophobicContact CB-CG 4.48Å; Q102-L150 WeakPolarHBondContact O-CA 3.48Å; L150-K158 PolarHBondContact N-O 2.82Å; L150-K158 PolarHBondContact O-N 2.59Å; L150-A160 HydrophobicContact CD1-CB 3.85Å; L150-A160 HydrophobicContact CG-CB 3.95Å
151L97.3Very high92.1Very high0 Ų027 Ų270%014%0.138CC..EExtended strand (participates in β ladder)trans-110.7140.5168.7-60.1-170.2000111.9C99 G101 Q102 M104 I107 H156 V157 T291 L295C99-L151 CarbonylContact C-O 3.52Å; C99-L151 WeakPolarHBondContact CA-O 3.18Å; C99-L151 WeakPolarHBondContact CB-O 3.48Å; G101-L151 VanDerWaalsContact CA-O 3.27Å; G101-L151 WeakPolarHBondContact CA-O 3.39Å; G101-L151 PolarHBondContact N-O 3.25Å; Q102-L151 PolarHBondContact O-N 3Å; M104-L151 HydrophobicContact SD-CD1 3.93Å; M104-L151 HydrophobicContact SD-CD2 3.82Å; M104-L151 HydrophobicContact SD-CG 3.82Å; I107-L151 HydrophobicContact CD1-CD1 3.48Å; I107-L151 VanDerWaalsContact CD1-CD1 3.48Å; I107-L151 HydrophobicContact CD1-CG 3.97Å; L151-H156 CarbonylContact C-O 3.52Å; L151-H156 WeakPolarHBondContact CA-O 3.43Å; L151-V157 HydrophobicContact CD2-CB 4.26Å; L151-V157 HydrophobicContact CD2-CG2 3.63Å; L151-T291 HydrophobicContact CD1-CG2 3.93Å; L151-T291 HydrophobicContact CD2-CG2 3.78Å; L151-L295 HydrophobicContact CB-CD1 4.36Å; L151-L295 HydrophobicContact CD1-CD1 4.12Å; L151-L295 HydrophobicContact CD1-CD2 4.06Å; L151-L295 HydrophobicContact CD1-CG 3.95Å
152T95.8Very high91.3Very high13 Ų1327.6 Ų27.68%0.0814%0.14CC..  trans-72167.7160.273.80000110.7D154 G155 H156 K158 L295T152-D154 PolarHBondContact O-N 3.44Å; T152-D154 PolarHBondContact OG1-N 3.05Å; T152-D154 PolarHBondContact OG1-OD2 3.02Å; T152-G155 WeakPolarHBondContact O-CA 3.32Å; T152-G155 PolarHBondContact O-N 2.89Å; T152-H156 HydrophobicContact CG2-CB 4.02Å; T152-H156 PolarHBondContact N-O 2.85Å; T152-H156 PolarHBondContact OG1-N 2.86Å; T152-H156 VanDerWaalsContact OG1-N 3.12Å; T152-K158 HydrophobicContact CG2-CD 3.78Å; T152-L295 WeakPolarHBondContact O-CD1 3.28Å
153D92.3Very high89.9Confident72 Ų7223.8 Ų23.839%0.38513%0.129SC..THydrogen-bonded Turntrans-61.6-25.9176.1-73.6-75.4000114G100 G155 R299G100-D153 WeakPolarHBondContact CA-OD2 3.2Å; G100-D153 PolarHBondContact N-OD2 2.9Å; D153-G155 VanDerWaalsContact C-N 3.3Å; D153-R299 PolarHBondContact O-NH1 3.44Å; D153-R299 PolarHBondContact O-NH2 3.2Å; D153-R299 IonicContact OD1-NH2 2.8Å; D153-R299 PolarHBondContact OD1-NH2 2.89Å
154D94.2Very high88Confident97 Ų9723.4 Ų23.452%0.51913%0.127SC..THydrogen-bonded Turntrans-82.6-1.7172-31.1-86.5000113.3T152 T288 Q292T152-D154 PolarHBondContact O-N 3.44Å; T152-D154 PolarHBondContact OG1-N 3.05Å; T152-D154 PolarHBondContact OG1-OD2 3.02Å; D154-T288 VanDerWaalsContact O-CG2 3.27Å; D154-T288 WeakPolarHBondContact O-CG2 3.33Å; D154-Q292 WeakPolarHBondContact O-CG 3.14Å; D154-Q292 PolarHBondContact O-NE2 2.98Å
155G94.9Very high85.6Confident0 Ų023.9 Ų23.90%013%0.131CC..  trans85.610.8179.100000116.2T152 D153 V157 T288 T291T152-G155 WeakPolarHBondContact O-CA 3.32Å; T152-G155 PolarHBondContact O-N 2.89Å; D153-G155 VanDerWaalsContact C-N 3.3Å; G155-V157 PolarHBondContact O-N 3.16Å; G155-T288 VanDerWaalsContact C-CG2 3.44Å; G155-T288 WeakPolarHBondContact O-CG2 3.27Å; G155-T291 VanDerWaalsContact O-CB 3.28Å; G155-T291 WeakPolarHBondContact O-CB 3.29Å; G155-T291 PolarHBondContact O-OG1 2.88Å
156H97.5Very high83Confident92 Ų9223.9 Ų23.943%0.42614%0.136SC..  trans-70.8129.8176.5-70.4-73000111.6L151 T152L151-H156 CarbonylContact C-O 3.52Å; L151-H156 WeakPolarHBondContact CA-O 3.43Å; T152-H156 HydrophobicContact CG2-CB 4.02Å; T152-H156 PolarHBondContact N-O 2.85Å; T152-H156 PolarHBondContact OG1-N 2.86Å; T152-H156 VanDerWaalsContact OG1-N 3.12Å
157V98.1Very high80.5Confident1 Ų126.2 Ų26.21%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-84.6128.6-176179.10000110.9N78 F122 V123 E126 I149 L151 G155 T291N78-V157 VanDerWaalsContact CA-O 3.29Å; N78-V157 WeakPolarHBondContact CA-O 3.36Å; N78-V157 WeakPolarHBondContact CB-O 3.27Å; N78-V157 PolarHBondContact ND2-O 3Å; F122-V157 HydrophobicContact CD1-CG2 4.25Å; F122-V157 HydrophobicContact CE1-CG2 3.75Å; V123-V157 HydrophobicContact CB-CG2 4.47Å; V123-V157 HydrophobicContact CG1-CG1 4.06Å; V123-V157 HydrophobicContact CG2-CG2 3.99Å; E126-V157 HydrophobicContact CB-CB 3.62Å; E126-V157 HydrophobicContact CB-CG1 3.89Å; E126-V157 HydrophobicContact CB-CG2 4.16Å; E126-V157 HydrophobicContact CG-CB 4.11Å; E126-V157 HydrophobicContact CG-CG2 4.18Å; I149-V157 HydrophobicContact CG2-CG1 3.63Å; L151-V157 HydrophobicContact CD2-CB 4.26Å; L151-V157 HydrophobicContact CD2-CG2 3.63Å; G155-V157 PolarHBondContact O-N 3.16Å; V157-T291 HydrophobicContact CG2-CG2 4.03Å
158K96.7Very high77.8Confident18 Ų1826 Ų268%0.07814%0.142CC..EExtended strand (participates in β ladder)trans-135.3132.2-175.1-70.1172.2174.5-70.30112.8P77 V80 E97 L150 T152P77-K158 PolarHBondContact O-NZ 3.46Å; V80-K158 HydrophobicContact CG2-CB 3.9Å; E97-K158 HydrophobicContact CG-CD 4.42Å; E97-K158 WeakPolarHBondContact OE1-CD 3.35Å; E97-K158 VanDerWaalsContact OE1-CE 3.3Å; E97-K158 WeakPolarHBondContact OE1-CE 3.25Å; E97-K158 IonicContact OE1-NZ 3.77Å; E97-K158 PolarHBondContact OE1-NZ 2.94Å; E97-K158 WeakPolarHBondContact OE2-CE 3.17Å; E97-K158 IonicContact OE2-NZ 3.6Å; E97-K158 PolarHBondContact OE2-NZ 2.68Å; L150-K158 PolarHBondContact N-O 2.82Å; L150-K158 PolarHBondContact O-N 2.59Å; T152-K158 HydrophobicContact CG2-CD 3.78Å
159V94.8Very high75.3Confident0 Ų026.1 Ų26.10%014%0.144CC..EExtended strand (participates in β ladder)trans-80.6135.6173.8-178.70000110.6N78 V80 T127 H141 I144 I149 F162N78-V159 PolarHBondContact O-N 2.92Å; V80-V159 WeakPolarHBondContact CG2-O 3.37Å; V80-V159 PolarHBondContact N-O 3.29Å; T127-V159 HydrophobicContact CG2-CG2 4.13Å; H141-V159 WeakPolarHBondContact CD2-CG1 3.41Å; H141-V159 VanDerWaalsContact NE2-CG1 3.3Å; H141-V159 WeakPolarHBondContact NE2-CG1 3.28Å; I144-V159 HydrophobicContact CD1-CG1 3.96Å; I149-V159 HydrophobicContact CD1-CG2 3.98Å; V159-F162 HydrophobicContact CB-CZ 4.43Å; V159-F162 HydrophobicContact CG1-CE1 3.85Å; V159-F162 HydrophobicContact CG1-CZ 4.15Å; V159-F162 VanDerWaalsContact O-CZ 3.29Å; V159-F162 WeakPolarHBondContact O-CZ 3.45Å
160A89.9Confident72.5Confident8 Ų830.6 Ų30.67%0.06617%0.171CC..  trans-135.9166.2-174.900000113.1V80 H141 N148 L150V80-A160 HydrophobicContact CB-CB 4.44Å; V80-A160 HydrophobicContact CG2-CB 3.75Å; H141-A160 PolarHBondContact CE1-O 2.64Å; H141-A160 PolarHBondContact NE2-O 3.18Å; N148-A160 PolarHBondContact O-N 2.97Å; L150-A160 HydrophobicContact CD1-CB 3.85Å; L150-A160 HydrophobicContact CG-CB 3.95Å
161D76.5Confident69.5Low52 Ų5230.6 Ų30.628%0.27818%0.175SC..  trans6163.9174.2-98.336.6000116.2K51 H141 G163K51-D161 IonicContact NZ-OD1 2.79Å; K51-D161 PolarHBondContact NZ-OD1 2.78Å; K51-D161 IonicContact NZ-OD2 3.18Å; K51-D161 PolarHBondContact NZ-OD2 2.93Å; H141-D161 PolarHBondContact CE1-O 3.09Å; D161-G163 PolarHBondContact O-N 2.93Å; D161-G163 VanDerWaalsContact O-N 3.08Å
162F68.5Low66.5Low13 Ų1333.9 Ų33.96%0.05719%0.192CC..  trans-73.491.4-174.5-57.2-81.8000115.3L71 I79 M134 H141 V159 V164L71-F162 HydrophobicContact CD2-CD2 3.56Å; L71-F162 HydrophobicContact CD2-CE2 4Å; L71-F162 HydrophobicContact CG-CD2 4.39Å; I79-F162 HydrophobicContact CB-CZ 4.46Å; I79-F162 HydrophobicContact CG1-CZ 4.35Å; I79-F162 HydrophobicContact CG2-CE2 4.23Å; I79-F162 HydrophobicContact CG2-CZ 3.72Å; M134-F162 HydrophobicContact CE-CD1 3.54Å; M134-F162 HydrophobicContact CE-CE1 4Å; M134-F162 HydrophobicContact SD-CD1 3.71Å; M134-F162 HydrophobicContact SD-CE1 3.51Å; M134-F162 VanDerWaalsContact SD-CE1 3.51Å; H141-F162 AromaticContact CD2-CD1 3.26Å; H141-F162 WeakPolarHBondContact CD2-CD1 3.4Å; H141-F162 AromaticContact CD2-CE1 3.45Å; H141-F162 VanDerWaalsContact CD2-CE1 3.45Å; H141-F162 WeakPolarHBondContact CD2-CE1 3.41Å; H141-F162 AromaticContact NE2-CD1 3.4Å; H141-F162 WeakPolarHBondContact NE2-CD1 3.46Å; H141-F162 AromaticContact NE2-CE1 3.59Å; V159-F162 HydrophobicContact CB-CZ 4.43Å; V159-F162 HydrophobicContact CG1-CE1 3.85Å; V159-F162 HydrophobicContact CG1-CZ 4.15Å; V159-F162 VanDerWaalsContact O-CZ 3.29Å; V159-F162 WeakPolarHBondContact O-CZ 3.45Å; F162-V164 VanDerWaalsContact C-N 3.3Å; F162-V164 PolarHBondContact O-N 3.05Å
163G52.2Low63.6Low8 Ų835.9 Ų35.98%0.08221%0.209CC..SBendtrans72.7-16.9144.200000120H141 D161 A165 A166H141-G163 VanDerWaalsContact O-CA 3.26Å; H141-G163 WeakPolarHBondContact O-CA 3.24Å; H141-G163 PolarHBondContact O-N 2.7Å; D161-G163 PolarHBondContact O-N 2.93Å; D161-G163 VanDerWaalsContact O-N 3.08Å; G163-A165 PolarHBondContact O-N 3.13Å; G163-A166 PolarHBondContact O-N 2.87Å
164V44.5Very low60.9Low8 Ų841.7 Ų41.75%0.04823%0.231CC..THydrogen-bonded Turntrans-67.1-25.8177.9120.60000112.5S63 E67 F162 A166 Q167 L168S63-V164 WeakPolarHBondContact OG-CG2 3.45Å; E67-V164 HydrophobicContact CB-CB 4.16Å; E67-V164 HydrophobicContact CB-CG2 3.63Å; E67-V164 HydrophobicContact CG-CB 4.12Å; E67-V164 HydrophobicContact CG-CG2 4.16Å; F162-V164 VanDerWaalsContact C-N 3.3Å; F162-V164 PolarHBondContact O-N 3.05Å; V164-A166 PolarHBondContact O-N 2.88Å; V164-A166 VanDerWaalsContact O-N 3.12Å; V164-Q167 PolarHBondContact O-N 2.7Å; V164-L168 HydrophobicContact CG1-CD1 3.88Å; V164-L168 HydrophobicContact CG1-CG 4.24Å; V164-L168 PolarHBondContact O-N 2.92Å
165A43Very low58Low14 Ų1444.5 Ų44.512%0.11623%0.234CC..Hα-helixtrans-42.4-41.1163.100000113.3Y33 G163 S169Y33-A165 HydrophobicContact CE1-CB 4.27Å; Y33-A165 HydrophobicContact CE2-CB 3.64Å; Y33-A165 VanDerWaalsContact CZ-CA 3.49Å; Y33-A165 VanDerWaalsContact CZ-CB 3.43Å; Y33-A165 WeakPolarHBondContact OH-CA 3.23Å; Y33-A165 WeakPolarHBondContact OH-CB 3.41Å; G163-A165 PolarHBondContact O-N 3.13Å; A165-S169 VanDerWaalsContact O-CB 3.31Å; A165-S169 WeakPolarHBondContact O-CB 3.41Å; A165-S169 PolarHBondContact O-OG 3.42Å
166A39.3Very low55Low26 Ų2651.6 Ų51.622%0.21528%0.278CS..Hα-helixtrans-953.9-176.200000114.3R142 G163 V164 S169R142-A166 HydrophobicContact CB-CB 4.13Å; G163-A166 PolarHBondContact O-N 2.87Å; V164-A166 PolarHBondContact O-N 2.88Å; V164-A166 VanDerWaalsContact O-N 3.12Å; A166-S169 WeakPolarHBondContact CA-OG 3.19Å; A166-S169 PolarHBondContact O-OG 2.94Å
167Q39.1Very low51.9Low49 Ų4951.4 Ų51.423%0.22928%0.283CS..Hα-helixtrans-123.8-37.8-179.7-67.8-167.815.900113.7S63 V164 S169 T170S63-Q167 WeakPolarHBondContact OG-CB 3.33Å; S63-Q167 PolarHBondContact OG-OE1 3.47Å; V164-Q167 PolarHBondContact O-N 2.7Å; Q167-S169 PolarHBondContact O-N 2.85Å; Q167-T170 WeakPolarHBondContact CA-OG1 3.47Å; Q167-T170 PolarHBondContact O-N 3.3Å; Q167-T170 PolarHBondContact O-OG1 2.85Å
168L34.9Very low48.8Very low22 Ų2255 Ų5512%0.11530%0.302CS..Hα-helixtrans-61.2-30.6162.5-72.4179.3000110.5D59 I64 V164 T170 S171 I172D59-L168 HydrophobicContact CB-CD2 3.95Å; I64-L168 HydrophobicContact CD1-CD1 4.35Å; I64-L168 HydrophobicContact CD1-CD2 4.02Å; I64-L168 HydrophobicContact CG1-CD1 4.26Å; I64-L168 HydrophobicContact CG1-CD2 4.14Å; I64-L168 HydrophobicContact CG1-CG 4.49Å; V164-L168 HydrophobicContact CG1-CD1 3.88Å; V164-L168 HydrophobicContact CG1-CG 4.24Å; V164-L168 PolarHBondContact O-N 2.92Å; L168-T170 PolarHBondContact O-N 3.48Å; L168-S171 WeakPolarHBondContact O-CB 3.41Å; L168-S171 PolarHBondContact O-N 3.49Å; L168-I172 WeakPolarHBondContact O-CG1 3.26Å; L168-I172 PolarHBondContact O-N 3.37Å; L168-I172 VanDerWaalsContact O-N 3.12Å
169S38.4Very low46.1Very low16 Ų1657 Ų5711%0.11231%0.313CS..Hα-helixtrans-59.2-28.4170.870.50000113.4A165 A166 Q167 S171 I172 A173 I179A165-S169 VanDerWaalsContact O-CB 3.31Å; A165-S169 WeakPolarHBondContact O-CB 3.41Å; A165-S169 PolarHBondContact O-OG 3.42Å; A166-S169 WeakPolarHBondContact CA-OG 3.19Å; A166-S169 PolarHBondContact O-OG 2.94Å; Q167-S169 PolarHBondContact O-N 2.85Å; S169-S171 VanDerWaalsContact C-N 3.33Å; S169-S171 PolarHBondContact O-N 3.12Å; S169-I172 CarbonylContact O-C 3.55Å; S169-I172 PolarHBondContact O-N 3.5Å; S169-A173 WeakPolarHBondContact O-CA 3.32Å; S169-A173 VanDerWaalsContact O-CB 3.25Å; S169-A173 WeakPolarHBondContact O-CB 3.4Å; S169-A173 PolarHBondContact O-N 3.15Å; S169-I179 WeakPolarHBondContact OG-CG2 3.35Å
170T37.4Very low43.8Very low95 Ų9559 Ų5958%0.58333%0.334SS*.Hα-helixtrans-69.8-27.31746.90000113.4Q167 L168Q167-T170 WeakPolarHBondContact CA-OG1 3.47Å; Q167-T170 PolarHBondContact O-N 3.3Å; Q167-T170 PolarHBondContact O-OG1 2.85Å; L168-T170 PolarHBondContact O-N 3.48Å
171S35.4Very low42.4Very low39 Ų3961.1 Ų61.127%0.27335%0.346SS..Hα-helixtrans-73.2-37.9169.7-43.10000111L168 S169L168-S171 WeakPolarHBondContact O-CB 3.41Å; L168-S171 PolarHBondContact O-N 3.49Å; S169-S171 VanDerWaalsContact C-N 3.33Å; S169-S171 PolarHBondContact O-N 3.12Å
172I32.6Very low42.4Very low69 Ų6958.8 Ų58.835%0.35433%0.333SS..Hα-helixtrans-83.3-17.8-177-60.9166.4000112.2L168 S169 K174 R175 T177L168-I172 WeakPolarHBondContact O-CG1 3.26Å; L168-I172 PolarHBondContact O-N 3.37Å; L168-I172 VanDerWaalsContact O-N 3.12Å; S169-I172 CarbonylContact O-C 3.55Å; S169-I172 PolarHBondContact O-N 3.5Å; I172-K174 PolarHBondContact O-N 3.28Å; I172-R175 CarbonylContact O-C 3.57Å; I172-R175 WeakPolarHBondContact O-CA 3.45Å; I172-R175 PolarHBondContact O-N 3.04Å; I172-T177 VanDerWaalsContact CG2-OG1 3.23Å; I172-T177 WeakPolarHBondContact CG2-OG1 3.39Å
173A35.4Very low43.3Very low54 Ų5459.2 Ų59.245%0.44634%0.335SS..THydrogen-bonded Turntrans-59.6-21-179.300000113.4S169 R175 I179S169-A173 WeakPolarHBondContact O-CA 3.32Å; S169-A173 VanDerWaalsContact O-CB 3.25Å; S169-A173 WeakPolarHBondContact O-CB 3.4Å; S169-A173 PolarHBondContact O-N 3.15Å; A173-R175 PolarHBondContact O-N 3.04Å; A173-I179 HydrophobicContact CB-CD1 4.32Å
174K35.6Very low45.1Very low195 Ų19559.7 Ų59.785%0.84833%0.334SS*.THydrogen-bonded Turntrans-75.21.7170-63.8-176.7178.3-179.80113.6I172I172-K174 PolarHBondContact O-N 3.28Å
175R32.6Very low47.1Very low155 Ų15560.7 Ų60.759%0.58534%0.338SS*.SBendtrans-144.166.4-176.8-63.4-165.9-174.2102.60.7112.9I172 A173 T177I172-R175 CarbonylContact O-C 3.57Å; I172-R175 WeakPolarHBondContact O-CA 3.45Å; I172-R175 PolarHBondContact O-N 3.04Å; A173-R175 PolarHBondContact O-N 3.04Å; R175-T177 VanDerWaalsContact C-N 3.27Å; R175-T177 PolarHBondContact O-N 2.83Å
176T31.8Very low49.2Very low149 Ų14960.1 Ų60.191%0.91433%0.334SS*.SBendtrans63.7-11.5147.753.10000121
177T34.4Very low51.5Low88 Ų8859.3 Ų59.354%0.5433%0.326SS..PPolyproline II helixtrans-91.3130.917655.50000111.6I172 R175I172-T177 VanDerWaalsContact CG2-OG1 3.23Å; I172-T177 WeakPolarHBondContact CG2-OG1 3.39Å; R175-T177 VanDerWaalsContact C-N 3.27Å; R175-T177 PolarHBondContact O-N 2.83Å
178L31.8Very low53.5Low77 Ų7757.7 Ų57.740%0.40332%0.319SS..PPolyproline II helixtrans-66.7146.6-179.1-143.476.4000111.5P227 R228 L231L178-P227 HydrophobicContact CD2-CB 3.57Å; L178-P227 WeakPolarHBondContact CD2-O 3.07Å; L178-R228 HydrophobicContact CD1-CB 4.44Å; L178-R228 HydrophobicContact CD2-CB 4.33Å; L178-L231 HydrophobicContact CD1-CD1 4.01Å; L178-L231 HydrophobicContact CD2-CD1 3.62Å; L178-L231 HydrophobicContact CD2-CG 4.03Å; L178-L231 HydrophobicContact CG-CD1 3.64Å
179I39.5Very low55.5Low61 Ų6158 Ų5831%0.31332%0.321SS..PPolyproline II helixtrans-90133.4-173-55.2-178.3000110.9S169 A173S169-I179 WeakPolarHBondContact OG-CG2 3.35Å; A173-I179 HydrophobicContact CB-CD1 4.32Å
180G47.4Very low56.8Low42 Ų4258.5 Ų58.543%0.43333%0.327SS..SBendtrans71.1174.3176.400000113.7P182G180-P182 WeakPolarHBondContact O-CD 3.35Å
181T61.4Low58.1Low51 Ų5154.7 Ų54.731%0.31330%0.304SS..  trans-89.7102.5165.5-310000106.9K145 Y183 W184K145-T181 PolarHBondContact NZ-OG1 2.79Å; K145-T181 VanDerWaalsContact NZ-OG1 3.12Å; T181-Y183 VanDerWaalsContact C-N 3.26Å; T181-Y183 HydrophobicContact CG2-CD2 4.23Å; T181-Y183 HydrophobicContact CG2-CE2 4.3Å; T181-Y183 PolarHBondContact O-N 2.75Å; T181-Y183 VanDerWaalsContact O-N 3.08Å; T181-W184 HydrophobicContact CG2-CE3 4.08Å; T181-W184 HydrophobicContact CG2-CZ3 3.53Å; T181-W184 PolarHBondContact O-N 3.28Å
182P74.5Confident59.2Low3 Ų356 Ų562%0.01931%0.307CS..G310 helixtrans-71.5-17.8-151.726.5-36.1000114.8G180 W184 M185 P227 A230 L231 L234G180-P182 WeakPolarHBondContact O-CD 3.35Å; P182-W184 PolarHBondContact O-N 3.41Å; P182-M185 HydrophobicContact CB-SD 4.22Å; P182-M185 WeakPolarHBondContact O-CB 3.29Å; P182-M185 PolarHBondContact O-N 3.3Å; P182-P227 HydrophobicContact CG-CB 3.74Å; P182-A230 HydrophobicContact CB-CB 4.48Å; P182-A230 HydrophobicContact CG-CB 4.29Å; P182-L231 HydrophobicContact CB-CD2 3.54Å; P182-L231 HydrophobicContact CB-CG 3.72Å; P182-L234 WeakPolarHBondContact O-CD1 3.43Å
183Y87.6Confident59.9Low22 Ų2262.6 Ų62.69%0.08634%0.337CS..G310 helixtrans-62.4-28.4-178.4-39.9-62.2000113T181 P220 M222 F223 L225 A230T181-Y183 VanDerWaalsContact C-N 3.26Å; T181-Y183 HydrophobicContact CG2-CD2 4.23Å; T181-Y183 HydrophobicContact CG2-CE2 4.3Å; T181-Y183 PolarHBondContact O-N 2.75Å; T181-Y183 VanDerWaalsContact O-N 3.08Å; Y183-P220 HydrophobicContact CD2-CG 4.06Å; Y183-P220 HydrophobicContact CG-CG 4.08Å; Y183-M222 HydrophobicContact CD1-CB 4.44Å; Y183-M222 WeakPolarHBondContact CD1-O 3.4Å; Y183-M222 VanDerWaalsContact CE1-O 3.3Å; Y183-M222 WeakPolarHBondContact CE1-O 3.45Å; Y183-F223 AromaticContact CD2-CD2 3.91Å; Y183-F223 HydrophobicContact CD2-CD2 3.91Å; Y183-F223 AromaticContact CE2-CD2 3.77Å; Y183-F223 HydrophobicContact CE2-CD2 3.77Å; Y183-F223 HydrophobicContact CE2-CE2 4.24Å; Y183-L225 WeakPolarHBondContact CE1-O 3.36Å; Y183-L225 PolarHBondContact OH-O 2.83Å; Y183-L225 VanDerWaalsContact OH-O 3.09Å; Y183-A230 HydrophobicContact CD1-CB 3.87Å; Y183-A230 HydrophobicContact CE1-CB 3.81Å
184W90.6Very high60Low19 Ų1964.7 Ų64.77%0.07235%0.348CS..G310 helixtrans-91.3-7.2175.2-63.9-103.1000113.8I144 K145 T181 P182 I210 E214 P220I144-W184 VanDerWaalsContact O-CD1 3.23Å; K145-W184 HydrophobicContact CB-CD2 3.75Å; K145-W184 VanDerWaalsContact CB-CE2 3.43Å; K145-W184 HydrophobicContact CB-CE3 4.46Å; K145-W184 HydrophobicContact CB-CG 3.9Å; K145-W184 HydrophobicContact CB-CZ2 3.89Å; T181-W184 HydrophobicContact CG2-CE3 4.08Å; T181-W184 HydrophobicContact CG2-CZ3 3.53Å; T181-W184 PolarHBondContact O-N 3.28Å; P182-W184 PolarHBondContact O-N 3.41Å; W184-I210 HydrophobicContact CB-CG2 4.33Å; W184-I210 VanDerWaalsContact CD1-CG2 3.47Å; W184-I210 HydrophobicContact CD2-CG2 4.39Å; W184-I210 HydrophobicContact CG-CB 4.31Å; W184-I210 HydrophobicContact CG-CG2 3.79Å; W184-E214 HydrophobicContact CZ2-CG 4.26Å; W184-E214 WeakPolarHBondContact CZ2-OE2 3.4Å; W184-E214 PolarHBondContact NE1-OE2 3.31Å; W184-P220 HydrophobicContact CD2-CB 4.26Å; W184-P220 HydrophobicContact CD2-CG 4.47Å; W184-P220 HydrophobicContact CE3-CG 4.33Å; W184-P220 HydrophobicContact CH2-CB 4.3Å; W184-P220 HydrophobicContact CH2-CG 3.59Å; W184-P220 HydrophobicContact CZ2-CB 3.96Å; W184-P220 HydrophobicContact CZ2-CG 3.71Å; W184-P220 HydrophobicContact CZ3-CG 3.9Å
185M86.6Confident60.3Low28 Ų2863.6 Ų63.614%0.13834%0.338CS..  trans-72.4134.2-174.8-71178.866.900112.2P182 V189 W206 L231P182-M185 HydrophobicContact CB-SD 4.22Å; P182-M185 WeakPolarHBondContact O-CB 3.29Å; P182-M185 PolarHBondContact O-N 3.3Å; M185-V189 HydrophobicContact CE-CG1 3.78Å; M185-W206 PolarHBondContact O-NE1 2.96Å; M185-L231 HydrophobicContact CE-CD2 4.18Å; M185-L231 HydrophobicContact SD-CD2 3.81Å
186A87.3Confident60.2Low2 Ų259.9 Ų59.92%0.01735%0.348CS..  trans-70.8147.1176.800000112E188 V189 A190 C203 W206A186-E188 VanDerWaalsContact C-N 3.27Å; A186-E188 WeakPolarHBondContact CB-OE1 3.41Å; A186-E188 PolarHBondContact O-N 2.9Å; A186-V189 HydrophobicContact CB-CG2 4.19Å; A186-V189 WeakPolarHBondContact O-CB 3.35Å; A186-V189 PolarHBondContact O-N 2.89Å; A186-A190 PolarHBondContact O-N 3.39Å; A186-C203 HydrophobicContact CB-CB 4.12Å; A186-W206 HydrophobicContact CB-CB 3.72Å; A186-W206 HydrophobicContact CB-CD2 4.15Å; A186-W206 HydrophobicContact CB-CG 3.6Å
187P86.7Confident60.5Low9 Ų956.4 Ų56.46%0.05833%0.33CS..THydrogen-bonded Turntrans-60.6-32.3-174.2-26.636.8000114S191 W206 L234 Y239 K264P187-S191 WeakPolarHBondContact O-CB 3.38Å; P187-S191 PolarHBondContact O-N 3.4Å; P187-S191 PolarHBondContact O-OG 3.04Å; P187-W206 HydrophobicContact CG-CE3 4.44Å; P187-W206 HydrophobicContact CG-CH2 3.67Å; P187-W206 HydrophobicContact CG-CZ2 3.87Å; P187-W206 HydrophobicContact CG-CZ3 3.95Å; P187-L234 HydrophobicContact CG-CD2 4.33Å; P187-Y239 HydrophobicContact CB-CD1 4.42Å; P187-Y239 HydrophobicContact CG-CD1 3.89Å; P187-Y239 HydrophobicContact CG-CE1 3.7Å; P187-K264 HydrophobicContact CB-CG 4.37Å; P187-K264 HydrophobicContact CG-CG 4.34Å
188E82.5Confident61.2Low16 Ų1655.6 Ų55.68%0.07534%0.339CS..THydrogen-bonded Turntrans-65.7-40.8173.165.1-75.5174.700112.1A186 S191 I192 E266 R269A186-E188 VanDerWaalsContact C-N 3.27Å; A186-E188 WeakPolarHBondContact CB-OE1 3.41Å; A186-E188 PolarHBondContact O-N 2.9Å; E188-S191 WeakPolarHBondContact CA-OG 3.35Å; E188-S191 PolarHBondContact O-N 3.39Å; E188-S191 PolarHBondContact O-OG 3.16Å; E188-I192 PolarHBondContact O-N 3.42Å; E188-E266 HydrophobicContact CG-CB 4.28Å; E188-E266 HydrophobicContact CG-CG 4.4Å; E188-R269 IonicContact OE1-CZ 3.41Å; E188-R269 IonicContact OE1-NH1 2.68Å; E188-R269 PolarHBondContact OE1-NH1 3.47Å; E188-R269 IonicContact OE1-NH2 3.25Å; E188-R269 PolarHBondContact OE1-NH2 3.09Å; E188-R269 IonicContact OE2-CZ 3.76Å; E188-R269 IonicContact OE2-NH1 3.77Å; E188-R269 IonicContact OE2-NH2 2.84Å; E188-R269 PolarHBondContact OE2-NH2 3.13Å
189V76.4Confident62.6Low27 Ų2754 Ų5416%0.16433%0.328CS..G310 helixtrans-67.5-41.5178-175.70000111M185 A186 S191 I192 Y199 C203M185-V189 HydrophobicContact CE-CG1 3.78Å; A186-V189 HydrophobicContact CB-CG2 4.19Å; A186-V189 WeakPolarHBondContact O-CB 3.35Å; A186-V189 PolarHBondContact O-N 2.89Å; V189-S191 PolarHBondContact O-N 2.84Å; V189-S191 VanDerWaalsContact O-N 3.13Å; V189-I192 HydrophobicContact CB-CD1 4.34Å; V189-I192 HydrophobicContact CG1-CD1 3.9Å; V189-I192 WeakPolarHBondContact O-CD1 3.37Å; V189-I192 VanDerWaalsContact O-CG1 3.31Å; V189-I192 WeakPolarHBondContact O-CG1 3.32Å; V189-I192 PolarHBondContact O-N 3.13Å; V189-Y199 HydrophobicContact CG1-CE1 4.5Å; V189-Y199 HydrophobicContact CG2-CD1 4.26Å; V189-Y199 HydrophobicContact CG2-CD2 4.16Å; V189-Y199 HydrophobicContact CG2-CE2 4.45Å; V189-Y199 HydrophobicContact CG2-CG 4.04Å; V189-C203 HydrophobicContact CG2-CB 3.62Å
190A66Low64.1Low28 Ų2854.3 Ų54.323%0.23133%0.33CS..G310 helixtrans-64-12.3172.100000113.7A186 L231 L234A186-A190 PolarHBondContact O-N 3.39Å; A190-L231 HydrophobicContact CB-CD2 4.07Å; A190-L234 HydrophobicContact CB-CB 3.78Å
191S64.3Low65.7Low15 Ų1553 Ų5311%0.10532%0.316CS..G310 helixtrans-105.4-0.5-17777.80000115.4P187 E188 V189 E193 S194P187-S191 WeakPolarHBondContact O-CB 3.38Å; P187-S191 PolarHBondContact O-N 3.4Å; P187-S191 PolarHBondContact O-OG 3.04Å; E188-S191 WeakPolarHBondContact CA-OG 3.35Å; E188-S191 PolarHBondContact O-N 3.39Å; E188-S191 PolarHBondContact O-OG 3.16Å; V189-S191 PolarHBondContact O-N 2.84Å; V189-S191 VanDerWaalsContact O-N 3.13Å; S191-E193 VanDerWaalsContact C-N 3.29Å; S191-E193 PolarHBondContact O-N 2.99Å; S191-E193 VanDerWaalsContact O-N 3.17Å; S191-S194 PolarHBondContact O-N 3.09Å; S191-S194 PolarHBondContact O-OG 3.3Å
192I57.5Low67.1Low65 Ų6551.9 Ų51.933%0.33331%0.307SS..G310 helixtrans-55.4-39.5-167.8-68.2164.5000113.4E188 V189 S194 R195 G196 Y199E188-I192 PolarHBondContact O-N 3.42Å; V189-I192 HydrophobicContact CB-CD1 4.34Å; V189-I192 HydrophobicContact CG1-CD1 3.9Å; V189-I192 WeakPolarHBondContact O-CD1 3.37Å; V189-I192 VanDerWaalsContact O-CG1 3.31Å; V189-I192 WeakPolarHBondContact O-CG1 3.32Å; V189-I192 PolarHBondContact O-N 3.13Å; I192-S194 PolarHBondContact O-N 3.31Å; I192-R195 PolarHBondContact O-N 2.94Å; I192-G196 PolarHBondContact O-N 3.12Å; I192-Y199 HydrophobicContact CD1-CD1 3.5Å; I192-Y199 HydrophobicContact CD1-CE1 3.4Å; I192-Y199 VanDerWaalsContact CD1-CE1 3.4Å; I192-Y199 HydrophobicContact CG1-CD1 4.27Å
193E47.3Very low67.9Low209 Ų20952.3 Ų52.398%0.97731%0.31SS*.G310 helixtrans-53.9-22.4176.9-63.8-170.5156.400113.4S191S191-E193 VanDerWaalsContact C-N 3.29Å; S191-E193 PolarHBondContact O-N 2.99Å; S191-E193 VanDerWaalsContact O-N 3.17Å
194S38.4Very low68.1Low97 Ų9751.3 Ų51.368%0.67831%0.306SS*.G310 helixtrans-104.3-3.4-178.772.30000115.2S191 I192S191-S194 PolarHBondContact O-N 3.09Å; S191-S194 PolarHBondContact O-OG 3.3Å; I192-S194 PolarHBondContact O-N 3.31Å
195R42.6Very low68.4Low173 Ų17350.4 Ų50.465%0.65330%0.303SS*.THydrogen-bonded Turntrans-131.1-27-165.9-80.6-175.8166.2176.7-6.7117.4I192 S197I192-R195 PolarHBondContact O-N 2.94Å; R195-S197 PolarHBondContact O-N 3.04Å
196G30.5Very low68.8Low77 Ų7749.1 Ų49.179%0.79430%0.296SS*.  trans66.1-13.3171.600000117.6I192I192-G196 PolarHBondContact O-N 3.12Å
197S36.9Very low69.2Low76 Ų7649.1 Ų49.153%0.53130%0.297SS..PPolyproline II helixtrans-80.3136.9168.556.10000110.9R195R195-S197 PolarHBondContact O-N 3.04Å
198G49.6Very low69.7Low70 Ų7048.9 Ų48.972%0.72230%0.295SS*.PPolyproline II helixtrans-63.9151.916700000111.8
199Y61.6Low70.4Confident45 Ų4548.1 Ų48.118%0.17629%0.292CS..PPolyproline II helixtrans-93.5154.8173.253.5-86.8000110.8I140 R142 V189 I192 C203 E266I140-Y199 HydrophobicContact CG2-CE2 4.35Å; R142-Y199 VanDerWaalsContact CD-OH 3.26Å; R142-Y199 WeakPolarHBondContact CD-OH 3.42Å; R142-Y199 HydrophobicContact CG-CE2 4.14Å; R142-Y199 PolarHBondContact NE-OH 2.87Å; R142-Y199 VanDerWaalsContact NE-OH 3.16Å; R142-Y199 PolarHBondContact NH1-OH 3.19Å; V189-Y199 HydrophobicContact CG1-CE1 4.5Å; V189-Y199 HydrophobicContact CG2-CD1 4.26Å; V189-Y199 HydrophobicContact CG2-CD2 4.16Å; V189-Y199 HydrophobicContact CG2-CE2 4.45Å; V189-Y199 HydrophobicContact CG2-CG 4.04Å; I192-Y199 HydrophobicContact CD1-CD1 3.5Å; I192-Y199 HydrophobicContact CD1-CE1 3.4Å; I192-Y199 VanDerWaalsContact CD1-CE1 3.4Å; I192-Y199 HydrophobicContact CG1-CD1 4.27Å; Y199-C203 HydrophobicContact CD2-CB 4.22Å; Y199-C203 VanDerWaalsContact CD2-SG 3.56Å; Y199-E266 WeakPolarHBondContact CA-OE1 3.2Å
200D70.2Confident71.4Confident66 Ų6646.9 Ų46.935%0.35328%0.284SS..  trans-95.3-171.7176.171.710.5000112.7K202 C203 E266D200-K202 PolarHBondContact O-N 3.21Å; D200-K202 VanDerWaalsContact O-N 3.13Å; D200-K202 WeakPolarHBondContact OD1-CB 3.35Å; D200-K202 WeakPolarHBondContact OD1-CG 3.2Å; D200-K202 PolarHBondContact OD1-N 2.58Å; D200-K202 WeakPolarHBondContact OD2-CG 3.45Å; D200-C203 PolarHBondContact O-SG 2.7Å; D200-E266 PolarHBondContact N-OE1 3Å
201G81.3Confident72.9Confident14 Ų1445.9 Ų45.914%0.14428%0.275CS..THydrogen-bonded Turntrans-64.2-9.8178.700000114.9H135 C203 D204H135-G201 PolarHBondContact CE1-O 2.73Å; H135-G201 PolarHBondContact NE2-O 2.94Å; G201-C203 PolarHBondContact O-N 3.44Å; G201-C203 VanDerWaalsContact O-N 3.17Å; G201-D204 PolarHBondContact O-N 2.98Å; G201-D204 VanDerWaalsContact O-N 3.11Å
202K91.1Very high74.5Confident29 Ų2945.1 Ų45.113%0.12627%0.27CS..Hα-helixtrans-65.1-19.6-179.5-57.5-69.6177.962.60112.3D200 D204 I205 W206 E266 R269 P270 D271D200-K202 PolarHBondContact O-N 3.21Å; D200-K202 VanDerWaalsContact O-N 3.13Å; D200-K202 WeakPolarHBondContact OD1-CB 3.35Å; D200-K202 WeakPolarHBondContact OD1-CG 3.2Å; D200-K202 PolarHBondContact OD1-N 2.58Å; D200-K202 WeakPolarHBondContact OD2-CG 3.45Å; K202-D204 VanDerWaalsContact C-N 3.25Å; K202-D204 PolarHBondContact O-N 2.7Å; K202-I205 WeakPolarHBondContact O-CB 3.48Å; K202-I205 PolarHBondContact O-N 3.33Å; K202-W206 PolarHBondContact O-N 3.17Å; K202-E266 HydrophobicContact CB-CG 4.35Å; K202-R269 VanDerWaalsContact C-NH1 3.29Å; K202-R269 HydrophobicContact CB-CB 4.36Å; K202-R269 HydrophobicContact CD-CB 4.37Å; K202-R269 WeakPolarHBondContact CD-O 3.35Å; K202-R269 VanDerWaalsContact CE-O 3.3Å; K202-R269 WeakPolarHBondContact CE-O 3.34Å; K202-R269 PolarHBondContact NZ-O 3.24Å; K202-R269 VanDerWaalsContact O-CD 3.31Å; K202-R269 WeakPolarHBondContact O-CD 3.37Å; K202-R269 PolarHBondContact O-NH1 2.91Å; K202-P270 WeakPolarHBondContact CD-O 3.39Å; K202-D271 HydrophobicContact CD-CB 4.26Å
203C89.9Confident76.4Confident11 Ų1142 Ų427%0.07425%0.254CS..Hα-helixtrans-62.4-33.117467.60000112.3I140 A186 V189 Y199 D200 G201 I205 W206 G207I140-C203 VanDerWaalsContact CG2-SG 3.53Å; A186-C203 HydrophobicContact CB-CB 4.12Å; V189-C203 HydrophobicContact CG2-CB 3.62Å; Y199-C203 HydrophobicContact CD2-CB 4.22Å; Y199-C203 VanDerWaalsContact CD2-SG 3.56Å; D200-C203 PolarHBondContact O-SG 2.7Å; G201-C203 PolarHBondContact O-N 3.44Å; G201-C203 VanDerWaalsContact O-N 3.17Å; C203-I205 VanDerWaalsContact C-N 3.34Å; C203-W206 WeakPolarHBondContact O-CB 3.43Å; C203-W206 PolarHBondContact O-N 2.98Å; C203-G207 PolarHBondContact O-N 3.16Å; C203-G207 VanDerWaalsContact O-N 3.12Å
204D92.7Very high78.7Confident2 Ų232.1 Ų32.11%0.01121%0.208CC..Hα-helixtrans-69.5-34.4176.1-58.4-27.1000111.3L131 H135 I140 H141 R142 I144 G201 K202 W206 G207 V208L131-D204 HydrophobicContact CD1-CB 3.96Å; L131-D204 HydrophobicContact CD2-CB 3.74Å; L131-D204 HydrophobicContact CG-CB 4.47Å; H135-D204 IonicContact CD2-OD2 2.8Å; H135-D204 IonicContact CE1-OD2 3.49Å; H135-D204 IonicContact NE2-OD2 3.27Å; H135-D204 PolarHBondContact NE2-OD2 3.44Å; I140-D204 WeakPolarHBondContact CG2-OD2 3.22Å; H141-D204 WeakPolarHBondContact CB-OD1 3.46Å; H141-D204 PolarHBondContact N-OD1 2.94Å; H141-D204 PolarHBondContact N-OD2 3.3Å; R142-D204 PolarHBondContact N-OD1 3.15Å; I144-D204 HydrophobicContact CG1-CB 4.26Å; G201-D204 PolarHBondContact O-N 2.98Å; G201-D204 VanDerWaalsContact O-N 3.11Å; K202-D204 VanDerWaalsContact C-N 3.25Å; K202-D204 PolarHBondContact O-N 2.7Å; D204-W206 VanDerWaalsContact C-N 3.31Å; D204-W206 PolarHBondContact O-N 2.9Å; D204-G207 CarbonylContact O-C 3.51Å; D204-G207 WeakPolarHBondContact O-CA 3.5Å; D204-G207 PolarHBondContact O-N 2.85Å; D204-G207 VanDerWaalsContact O-N 3.08Å; D204-V208 PolarHBondContact O-N 3.06Å
205I96.9Very high81.5Confident0 Ų027.6 Ų27.60%018%0.176CC..Hα-helixtrans-66.2-33.9176.4-50.5-58.6000111.4L128 K202 C203 G209 C261 R269 A272 M275L128-I205 HydrophobicContact CD2-CD1 3.62Å; K202-I205 WeakPolarHBondContact O-CB 3.48Å; K202-I205 PolarHBondContact O-N 3.33Å; C203-I205 VanDerWaalsContact C-N 3.34Å; I205-G209 PolarHBondContact O-N 3.48Å; I205-C261 HydrophobicContact CG2-CB 4.44Å; I205-C261 VanDerWaalsContact O-CB 3.32Å; I205-C261 WeakPolarHBondContact O-CB 3.4Å; I205-R269 HydrophobicContact CG2-CG 4.33Å; I205-A272 HydrophobicContact CD1-CB 3.88Å; I205-M275 HydrophobicContact CG2-CG 3.85Å
206W95.6Very high84.1Confident0 Ų019.5 Ų19.50%015%0.146CC..Hα-helixtrans-65.4-44.7168.5177.8-77.4000111.1M185 A186 P187 K202 C203 D204 V208 G209 I210 Y239 P241 L262M185-W206 PolarHBondContact O-NE1 2.96Å; A186-W206 HydrophobicContact CB-CB 3.72Å; A186-W206 HydrophobicContact CB-CD2 4.15Å; A186-W206 HydrophobicContact CB-CG 3.6Å; P187-W206 HydrophobicContact CG-CE3 4.44Å; P187-W206 HydrophobicContact CG-CH2 3.67Å; P187-W206 HydrophobicContact CG-CZ2 3.87Å; P187-W206 HydrophobicContact CG-CZ3 3.95Å; K202-W206 PolarHBondContact O-N 3.17Å; C203-W206 WeakPolarHBondContact O-CB 3.43Å; C203-W206 PolarHBondContact O-N 2.98Å; D204-W206 VanDerWaalsContact C-N 3.31Å; D204-W206 PolarHBondContact O-N 2.9Å; W206-V208 VanDerWaalsContact C-N 3.33Å; W206-V208 PolarHBondContact O-N 2.84Å; W206-G209 WeakPolarHBondContact O-CA 3.3Å; W206-G209 PolarHBondContact O-N 2.94Å; W206-I210 HydrophobicContact CZ2-CD1 4.45Å; W206-I210 PolarHBondContact O-N 2.95Å; W206-Y239 AromaticContact CH2-CE1 3.79Å; W206-Y239 HydrophobicContact CH2-CE1 3.79Å; W206-Y239 AromaticContact CZ2-CE1 3.94Å; W206-Y239 HydrophobicContact CZ2-CE1 3.94Å; W206-P241 HydrophobicContact CH2-CB 4Å; W206-P241 HydrophobicContact CH2-CG 4.26Å; W206-P241 HydrophobicContact CZ3-CB 4.39Å; W206-P241 HydrophobicContact CZ3-CG 4.42Å; W206-L262 HydrophobicContact CD2-CD2 3.64Å; W206-L262 HydrophobicContact CE3-CB 4.28Å; W206-L262 HydrophobicContact CE3-CD2 3.9Å; W206-L262 HydrophobicContact CG-CD2 4.01Å; W206-L262 HydrophobicContact CH2-CB 4.3Å; W206-L262 HydrophobicContact CH2-CD2 4.35Å; W206-L262 HydrophobicContact CZ2-CD2 4.15Å; W206-L262 HydrophobicContact CZ3-CB 4Å; W206-L262 HydrophobicContact CZ3-CD2 4.25Å; W206-L262 VanDerWaalsContact CZ3-O 3.29Å; W206-L262 WeakPolarHBondContact CZ3-O 3.4Å; W206-L262 WeakPolarHBondContact O-CD2 3.36Å
207G94.8Very high87.1Confident3 Ų317.3 Ų17.33%0.03112%0.115CC..Hα-helixtrans-55.1-44174.600000112.9C203 D204 G209 I210 T211C203-G207 PolarHBondContact O-N 3.16Å; C203-G207 VanDerWaalsContact O-N 3.12Å; D204-G207 CarbonylContact O-C 3.51Å; D204-G207 WeakPolarHBondContact O-CA 3.5Å; D204-G207 PolarHBondContact O-N 2.85Å; D204-G207 VanDerWaalsContact O-N 3.08Å; G207-G209 VanDerWaalsContact C-N 3.34Å; G207-G209 PolarHBondContact O-N 2.87Å; G207-I210 PolarHBondContact O-N 3.32Å; G207-T211 WeakPolarHBondContact O-CB 3.36Å; G207-T211 PolarHBondContact O-N 3Å; G207-T211 PolarHBondContact O-OG1 3.25Å
208V97.6Very high89.7Confident4 Ų416.2 Ų16.22%0.02410%0.103CC..Hα-helixtrans-58-44.1171.8173.20000111.4T127 L128 L131 I144 D204 W206 I210 T211 A212 F257T127-V208 HydrophobicContact CG2-CG2 4.02Å; L128-V208 HydrophobicContact CD1-CG1 4.47Å; L128-V208 HydrophobicContact CD2-CG1 4.48Å; L128-V208 HydrophobicContact CD2-CG2 4.24Å; L128-V208 HydrophobicContact CG-CG1 4.35Å; L131-V208 HydrophobicContact CD1-CG2 3.55Å; I144-V208 HydrophobicContact CG2-CG2 4.03Å; D204-V208 PolarHBondContact O-N 3.06Å; W206-V208 VanDerWaalsContact C-N 3.33Å; W206-V208 PolarHBondContact O-N 2.84Å; V208-I210 VanDerWaalsContact C-N 3.34Å; V208-I210 PolarHBondContact O-N 3.05Å; V208-T211 PolarHBondContact O-N 2.65Å; V208-A212 WeakPolarHBondContact O-CB 3.19Å; V208-A212 PolarHBondContact O-N 3.2Å; V208-F257 HydrophobicContact CG1-CE1 4.28Å; V208-F257 HydrophobicContact CG1-CZ 4.11Å
209G97.8Very high91.7Very high0 Ų016.8 Ų16.80%09%0.087CC..Hα-helixtrans-63-35.5177.200000114.2I205 W206 G207 I213 C261I205-G209 PolarHBondContact O-N 3.48Å; W206-G209 WeakPolarHBondContact O-CA 3.3Å; W206-G209 PolarHBondContact O-N 2.94Å; G207-G209 VanDerWaalsContact C-N 3.34Å; G207-G209 PolarHBondContact O-N 2.87Å; G209-I213 PolarHBondContact O-N 3.39Å; G209-C261 VanDerWaalsContact CA-CB 3.48Å
210I97.4Very high93.2Very high1 Ų114.9 Ų14.91%0.0058%0.079CC..Hα-helixtrans-74.6-40.8173.7-59.7-60.6000111.1W184 W206 G207 V208 A212 I213 E214 P220 P221 P242 L262W184-I210 HydrophobicContact CB-CG2 4.33Å; W184-I210 VanDerWaalsContact CD1-CG2 3.47Å; W184-I210 HydrophobicContact CD2-CG2 4.39Å; W184-I210 HydrophobicContact CG-CB 4.31Å; W184-I210 HydrophobicContact CG-CG2 3.79Å; W206-I210 HydrophobicContact CZ2-CD1 4.45Å; W206-I210 PolarHBondContact O-N 2.95Å; G207-I210 PolarHBondContact O-N 3.32Å; V208-I210 VanDerWaalsContact C-N 3.34Å; V208-I210 PolarHBondContact O-N 3.05Å; I210-A212 PolarHBondContact O-N 3.32Å; I210-I213 WeakPolarHBondContact O-CB 3.28Å; I210-I213 PolarHBondContact O-N 2.8Å; I210-E214 PolarHBondContact O-N 2.78Å; I210-P220 HydrophobicContact CG2-CB 3.74Å; I210-P221 HydrophobicContact CD1-CG 4.28Å; I210-P242 HydrophobicContact CD1-CG 3.86Å; I210-L262 HydrophobicContact CD1-CD1 4.08Å; I210-L262 HydrophobicContact CD1-CD2 3.77Å; I210-L262 HydrophobicContact CG1-CD2 4Å
211T97.2Very high94.2Very high6 Ų612.7 Ų12.74%0.0377%0.069CC..Hα-helixtrans-62.3-33.1176.9-52.90000111.7K145 G207 V208 E214 Y215K145-T211 WeakPolarHBondContact CA-OG1 3.49Å; G207-T211 WeakPolarHBondContact O-CB 3.36Å; G207-T211 PolarHBondContact O-N 3Å; G207-T211 PolarHBondContact O-OG1 3.25Å; V208-T211 PolarHBondContact O-N 2.65Å; T211-E214 WeakPolarHBondContact O-CB 3.3Å; T211-E214 PolarHBondContact O-N 2.9Å; T211-Y215 HydrophobicContact CG2-CD1 4.49Å; T211-Y215 HydrophobicContact CG2-CD2 4.49Å; T211-Y215 HydrophobicContact CG2-CE1 3.81Å; T211-Y215 HydrophobicContact CG2-CE2 3.81Å; T211-Y215 VanDerWaalsContact CG2-CZ 3.41Å; T211-Y215 WeakPolarHBondContact CG2-OH 3.48Å; T211-Y215 VanDerWaalsContact O-CG 3.28Å; T211-Y215 PolarHBondContact O-N 3.09Å
212A98Very high94.4Very high0 Ų013.7 Ų13.70%07%0.07CC..Hα-helixtrans-68.4-34.9173.400000112.9I120 V208 I210 A216 F254 F257 I258I120-A212 HydrophobicContact CG2-CB 4.27Å; V208-A212 WeakPolarHBondContact O-CB 3.19Å; V208-A212 PolarHBondContact O-N 3.2Å; I210-A212 PolarHBondContact O-N 3.32Å; A212-A216 PolarHBondContact O-N 3.19Å; A212-F254 HydrophobicContact CB-CE2 4.08Å; A212-F257 HydrophobicContact CB-CE1 4.38Å; A212-I258 HydrophobicContact CB-CG1 4.33Å
213I97.1Very high94.2Very high0 Ų017 Ų170%09%0.085CC..Hα-helixtrans-70.4-41.7170.6-63.8169.6000110.4G209 I210 Y215 A216 E217 P221 P242 L244 I258 L262G209-I213 PolarHBondContact O-N 3.39Å; I210-I213 WeakPolarHBondContact O-CB 3.28Å; I210-I213 PolarHBondContact O-N 2.8Å; I213-Y215 VanDerWaalsContact C-N 3.32Å; I213-Y215 PolarHBondContact O-N 3.12Å; I213-A216 CarbonylContact O-C 3.58Å; I213-A216 PolarHBondContact O-N 3.39Å; I213-E217 HydrophobicContact CG2-CB 4.46Å; I213-E217 HydrophobicContact CG2-CG 4.17Å; I213-E217 PolarHBondContact O-N 2.87Å; I213-P221 HydrophobicContact CD1-CG 3.98Å; I213-P221 HydrophobicContact CG2-CG 4Å; I213-P242 HydrophobicContact CD1-CB 4.41Å; I213-P242 HydrophobicContact CD1-CG 4.24Å; I213-L244 HydrophobicContact CB-CD2 4.44Å; I213-L244 HydrophobicContact CG1-CD2 4.11Å; I213-L244 HydrophobicContact CG2-CD2 4.3Å; I213-I258 HydrophobicContact CD1-CG2 4.02Å; I213-I258 HydrophobicContact CG1-CD1 3.92Å; I213-I258 HydrophobicContact CG1-CG2 4.22Å; I213-L262 HydrophobicContact CD1-CD1 3.8Å
214E96.5Very high93.8Very high0 Ų022.7 Ų22.70%012%0.115CC..Hα-helixtrans-53.7-45.4175.8178.2-166172.500111.9Y108 G146 W184 I210 T211 A216 L218 Q219Y108-E214 HydrophobicContact CE1-CG 3.78Å; Y108-E214 WeakPolarHBondContact CE1-OE1 3.33Å; Y108-E214 VanDerWaalsContact OH-CG 3.29Å; Y108-E214 WeakPolarHBondContact OH-CG 3.31Å; Y108-E214 PolarHBondContact OH-OE1 2.95Å; G146-E214 VanDerWaalsContact CA-OE1 3.31Å; G146-E214 WeakPolarHBondContact CA-OE1 3.24Å; G146-E214 PolarHBondContact N-OE1 3.2Å; G146-E214 PolarHBondContact N-OE2 2.91Å; W184-E214 HydrophobicContact CZ2-CG 4.26Å; W184-E214 WeakPolarHBondContact CZ2-OE2 3.4Å; W184-E214 PolarHBondContact NE1-OE2 3.31Å; I210-E214 PolarHBondContact O-N 2.78Å; T211-E214 WeakPolarHBondContact O-CB 3.3Å; T211-E214 PolarHBondContact O-N 2.9Å; E214-A216 VanDerWaalsContact C-N 3.32Å; E214-A216 PolarHBondContact O-N 3.35Å; E214-L218 CarbonylContact O-C 3.57Å; E214-L218 WeakPolarHBondContact O-CA 3.42Å; E214-L218 PolarHBondContact O-N 3.3Å; E214-Q219 PolarHBondContact O-N 3.33Å
215Y96.6Very high93.3Very high3 Ų323.8 Ų23.81%0.01212%0.12CC..Hα-helixtrans-68.3-27176-62.5-19.7000114.3M104 Y108 L115 I120 V123 T211 I213M104-Y215 HydrophobicContact CB-CE1 3.58Å; M104-Y215 WeakPolarHBondContact CB-OH 3.43Å; M104-Y215 HydrophobicContact CG-CE1 4.35Å; M104-Y215 WeakPolarHBondContact CG-OH 3.18Å; Y108-Y215 AromaticContact CD1-CD1 3.93Å; Y108-Y215 HydrophobicContact CD1-CD1 3.93Å; Y108-Y215 HydrophobicContact CD1-CE1 4.33Å; Y108-Y215 HydrophobicContact CE1-CD1 4.02Å; Y108-Y215 HydrophobicContact CE1-CE1 4.25Å; L115-Y215 HydrophobicContact CD1-CD1 4.29Å; L115-Y215 HydrophobicContact CD1-CD2 4.39Å; L115-Y215 HydrophobicContact CD1-CG 3.99Å; L115-Y215 PolarHBondContact N-O 3.22Å; I120-Y215 HydrophobicContact CG1-CD2 4.36Å; I120-Y215 HydrophobicContact CG2-CD2 4.37Å; V123-Y215 HydrophobicContact CB-CE2 4.35Å; V123-Y215 HydrophobicContact CG1-CE2 3.71Å; T211-Y215 HydrophobicContact CG2-CD1 4.49Å; T211-Y215 HydrophobicContact CG2-CD2 4.49Å; T211-Y215 HydrophobicContact CG2-CE1 3.81Å; T211-Y215 HydrophobicContact CG2-CE2 3.81Å; T211-Y215 VanDerWaalsContact CG2-CZ 3.41Å; T211-Y215 WeakPolarHBondContact CG2-OH 3.48Å; T211-Y215 VanDerWaalsContact O-CG 3.28Å; T211-Y215 PolarHBondContact O-N 3.09Å; I213-Y215 VanDerWaalsContact C-N 3.32Å; I213-Y215 PolarHBondContact O-N 3.12Å
216A96Very high92.4Very high2 Ų228.6 Ų28.62%0.01715%0.146CC..Hα-helixtrans-86.1-30.3-179.700000113.2P114 I120 A212 I213 E214 L244 W250 F254P114-A216 WeakPolarHBondContact CB-O 3.2Å; I120-A216 HydrophobicContact CD1-CB 4.17Å; A212-A216 PolarHBondContact O-N 3.19Å; I213-A216 CarbonylContact O-C 3.58Å; I213-A216 PolarHBondContact O-N 3.39Å; E214-A216 VanDerWaalsContact C-N 3.32Å; E214-A216 PolarHBondContact O-N 3.35Å; A216-L244 HydrophobicContact CB-CD2 3.63Å; A216-W250 HydrophobicContact CB-CH2 3.84Å; A216-W250 HydrophobicContact CB-CZ2 3.51Å; A216-W250 VanDerWaalsContact O-CZ2 3.31Å; A216-W250 WeakPolarHBondContact O-CZ2 3.39Å; A216-F254 HydrophobicContact CB-CE1 3.99Å; A216-F254 HydrophobicContact CB-CZ 4.09Å
217E93.8Very high91.5Very high32 Ų3231 Ų3115%0.1516%0.161CC..Hα-helixtrans-121.74.1-171.4-56.4-167.3163.800113.7I213 Q219 L244 Q245I213-E217 HydrophobicContact CG2-CB 4.46Å; I213-E217 HydrophobicContact CG2-CG 4.17Å; I213-E217 PolarHBondContact O-N 2.87Å; E217-Q219 PolarHBondContact O-N 2.84Å; E217-L244 HydrophobicContact CG-CD2 4.2Å; E217-L244 VanDerWaalsContact OE1-CA 3.32Å; E217-L244 WeakPolarHBondContact OE1-CA 3.47Å; E217-Q245 PolarHBondContact OE1-N 2.77Å; E217-Q245 PolarHBondContact OE2-NE2 3.17Å
218L91.9Very high90.5Very high52 Ų5239.4 Ų39.427%0.27219%0.192SC..SBendtrans61.59.7-177.5-57.6176.3000115.4Y108 P114 E214Y108-L218 HydrophobicContact CD2-CB 4.44Å; Y108-L218 HydrophobicContact CD2-CD2 3.67Å; Y108-L218 HydrophobicContact CG-CD2 3.94Å; P114-L218 HydrophobicContact CG-CD1 4.47Å; P114-L218 HydrophobicContact CG-CG 4.33Å; E214-L218 CarbonylContact O-C 3.57Å; E214-L218 WeakPolarHBondContact O-CA 3.42Å; E214-L218 PolarHBondContact O-N 3.3Å
219Q91.4Very high89.7Confident83 Ų8344.3 Ų44.339%0.38821%0.213SC..SBendtrans-160.8152.517967.4-161.5-54.400110.3E214 E217 F223E214-Q219 PolarHBondContact O-N 3.33Å; E217-Q219 PolarHBondContact O-N 2.84Å; Q219-F223 HydrophobicContact CB-CB 4.18Å; Q219-F223 HydrophobicContact CB-CD1 4.02Å; Q219-F223 HydrophobicContact CB-CG 4.21Å
220P93.2Very high89Confident4 Ų444.3 Ų44.33%0.02621%0.213CC..  trans-73.9162172.334.6-38.9000111.5Y183 W184 I210 F223Y183-P220 HydrophobicContact CD2-CG 4.06Å; Y183-P220 HydrophobicContact CG-CG 4.08Å; W184-P220 HydrophobicContact CD2-CB 4.26Å; W184-P220 HydrophobicContact CD2-CG 4.47Å; W184-P220 HydrophobicContact CE3-CG 4.33Å; W184-P220 HydrophobicContact CH2-CB 4.3Å; W184-P220 HydrophobicContact CH2-CG 3.59Å; W184-P220 HydrophobicContact CZ2-CB 3.96Å; W184-P220 HydrophobicContact CZ2-CG 3.71Å; W184-P220 HydrophobicContact CZ3-CG 3.9Å; I210-P220 HydrophobicContact CG2-CB 3.74Å; P220-F223 HydrophobicContact CG-CB 4.1Å; P220-F223 HydrophobicContact CG-CD2 3.89Å; P220-F223 HydrophobicContact CG-CG 4.31Å; P220-F223 WeakPolarHBondContact O-CB 3.26Å; P220-F223 PolarHBondContact O-N 3.4Å
221P91.2Very high88.2Confident21 Ų2146 Ų4614%0.13622%0.222CC..THydrogen-bonded Turntrans-58.3140.9172.3-2536.8000112.5I210 I213 F223 P242I210-P221 HydrophobicContact CD1-CG 4.28Å; I213-P221 HydrophobicContact CD1-CG 3.98Å; I213-P221 HydrophobicContact CG2-CG 4Å; P221-F223 VanDerWaalsContact C-N 3.3Å; P221-F223 PolarHBondContact O-N 2.79Å; P221-P242 HydrophobicContact CB-CB 3.8Å; P221-P242 HydrophobicContact CB-CG 4Å; P221-P242 HydrophobicContact CG-CB 3.69Å; P221-P242 HydrophobicContact CG-CG 3.69Å
222M86.8Confident87.4Confident34 Ų3452.7 Ų52.717%0.16725%0.253CS..THydrogen-bonded Turntrans67.317.7-179.1-46.7174.7-71.700115.6Y183 D224 L225 I233 L234 Y239Y183-M222 HydrophobicContact CD1-CB 4.44Å; Y183-M222 WeakPolarHBondContact CD1-O 3.4Å; Y183-M222 VanDerWaalsContact CE1-O 3.3Å; Y183-M222 WeakPolarHBondContact CE1-O 3.45Å; M222-D224 WeakPolarHBondContact CA-OD1 3.26Å; M222-D224 PolarHBondContact O-N 3.34Å; M222-D224 VanDerWaalsContact O-N 3.17Å; M222-L225 HydrophobicContact CB-CB 4.43Å; M222-L225 HydrophobicContact CB-CD1 4.02Å; M222-L225 HydrophobicContact CB-CG 4.16Å; M222-L225 HydrophobicContact CG-CD1 4.31Å; M222-L225 WeakPolarHBondContact O-CB 3.37Å; M222-L225 PolarHBondContact O-N 3.05Å; M222-I233 HydrophobicContact SD-CB 4.21Å; M222-I233 HydrophobicContact SD-CD1 4.49Å; M222-I233 HydrophobicContact SD-CG2 3.69Å; M222-L234 HydrophobicContact CE-CD1 4.33Å; M222-L234 HydrophobicContact CE-CD2 4.31Å; M222-L234 HydrophobicContact CE-CG 4.08Å; M222-Y239 HydrophobicContact CE-CE2 4.36Å; M222-Y239 HydrophobicContact SD-CE2 4.43Å
223F85.5Confident86.8Confident99 Ų9955.5 Ų55.543%0.43427%0.268SS..THydrogen-bonded Turntrans-61.4-18.9176.6-169.1-113.9000113.9Y183 Q219 P220 P221 L225Y183-F223 AromaticContact CD2-CD2 3.91Å; Y183-F223 HydrophobicContact CD2-CD2 3.91Å; Y183-F223 AromaticContact CE2-CD2 3.77Å; Y183-F223 HydrophobicContact CE2-CD2 3.77Å; Y183-F223 HydrophobicContact CE2-CE2 4.24Å; Q219-F223 HydrophobicContact CB-CB 4.18Å; Q219-F223 HydrophobicContact CB-CD1 4.02Å; Q219-F223 HydrophobicContact CB-CG 4.21Å; P220-F223 HydrophobicContact CG-CB 4.1Å; P220-F223 HydrophobicContact CG-CD2 3.89Å; P220-F223 HydrophobicContact CG-CG 4.31Å; P220-F223 WeakPolarHBondContact O-CB 3.26Å; P220-F223 PolarHBondContact O-N 3.4Å; P221-F223 VanDerWaalsContact C-N 3.3Å; P221-F223 PolarHBondContact O-N 2.79Å; F223-L225 VanDerWaalsContact C-N 3.28Å
224D82.5Confident86.2Confident130 Ų13055.6 Ų55.670%0.69527%0.268SS*.THydrogen-bonded Turntrans-75.2-12.9172.168.9-57.6000113.8M222M222-D224 WeakPolarHBondContact CA-OD1 3.26Å; M222-D224 PolarHBondContact O-N 3.34Å; M222-D224 VanDerWaalsContact O-N 3.17Å
225L81.9Confident85.4Confident26 Ų2657.7 Ų57.714%0.13629%0.289CS..SBendtrans-99.3144.7-175.8-56.8-168000112.2Y183 M222 F223 K229 I233Y183-L225 WeakPolarHBondContact CE1-O 3.36Å; Y183-L225 PolarHBondContact OH-O 2.83Å; Y183-L225 VanDerWaalsContact OH-O 3.09Å; M222-L225 HydrophobicContact CB-CB 4.43Å; M222-L225 HydrophobicContact CB-CD1 4.02Å; M222-L225 HydrophobicContact CB-CG 4.16Å; M222-L225 HydrophobicContact CG-CD1 4.31Å; M222-L225 WeakPolarHBondContact O-CB 3.37Å; M222-L225 PolarHBondContact O-N 3.05Å; F223-L225 VanDerWaalsContact C-N 3.28Å; L225-K229 HydrophobicContact CB-CD 4.32Å; L225-K229 HydrophobicContact CD1-CD 4.19Å; L225-K229 HydrophobicContact CD1-CG 4.36Å; L225-K229 HydrophobicContact CD2-CD 4.09Å; L225-K229 HydrophobicContact CG-CD 4.46Å; L225-I233 HydrophobicContact CD1-CD1 3.41Å; L225-I233 VanDerWaalsContact CD1-CD1 3.41Å
226D77.4Confident84.7Confident100 Ų10059.9 Ų59.954%0.53531%0.305SS..  trans-52.6137.4169173.1-84.1000111.6R228 K229 A230D226-R228 VanDerWaalsContact C-N 3.25Å; D226-R228 PolarHBondContact O-N 2.91Å; D226-R228 VanDerWaalsContact O-N 3.09Å; D226-R228 WeakPolarHBondContact OD1-CA 3.23Å; D226-R228 WeakPolarHBondContact OD1-CB 3.47Å; D226-R228 PolarHBondContact OD1-N 3.48Å; D226-K229 HydrophobicContact CB-CB 4.3Å; D226-K229 WeakPolarHBondContact O-CA 3.4Å; D226-K229 WeakPolarHBondContact O-CB 3.31Å; D226-K229 PolarHBondContact O-N 3.33Å; D226-K229 PolarHBondContact OD1-N 2.94Å; D226-A230 PolarHBondContact O-N 3.47Å
227P76.4Confident83.9Confident50 Ų5071.1 Ų71.133%0.32535%0.347SS..Hα-helixtrans-46-41.1179.6-35.438.1000115.5L178 P182 A230 L231L178-P227 HydrophobicContact CD2-CB 3.57Å; L178-P227 WeakPolarHBondContact CD2-O 3.07Å; P182-P227 HydrophobicContact CG-CB 3.74Å; P227-A230 PolarHBondContact O-N 2.85Å; P227-L231 PolarHBondContact O-N 3.46Å; P227-L231 VanDerWaalsContact O-N 3.1Å
228R74.3Confident83.3Confident180 Ų18076.3 Ų76.368%0.67938%0.376SS*.Hα-helixtrans-71-35.6179.5-178.8-172167.389.42.4111.2L178 D226 Q232L178-R228 HydrophobicContact CD1-CB 4.44Å; L178-R228 HydrophobicContact CD2-CB 4.33Å; D226-R228 VanDerWaalsContact C-N 3.25Å; D226-R228 PolarHBondContact O-N 2.91Å; D226-R228 VanDerWaalsContact O-N 3.09Å; D226-R228 WeakPolarHBondContact OD1-CA 3.23Å; D226-R228 WeakPolarHBondContact OD1-CB 3.47Å; D226-R228 PolarHBondContact OD1-N 3.48Å; R228-Q232 WeakPolarHBondContact O-CB 3.48Å; R228-Q232 PolarHBondContact O-N 2.81Å
229K81.6Confident83Confident107 Ų10775 Ų7547%0.46537%0.367SS..Hα-helixtrans-68.5-39.5174.7-171.6-176.7174.2-165.70111L225 D226 Q232 I233L225-K229 HydrophobicContact CB-CD 4.32Å; L225-K229 HydrophobicContact CD1-CD 4.19Å; L225-K229 HydrophobicContact CD1-CG 4.36Å; L225-K229 HydrophobicContact CD2-CD 4.09Å; L225-K229 HydrophobicContact CG-CD 4.46Å; D226-K229 HydrophobicContact CB-CB 4.3Å; D226-K229 WeakPolarHBondContact O-CA 3.4Å; D226-K229 WeakPolarHBondContact O-CB 3.31Å; D226-K229 PolarHBondContact O-N 3.33Å; D226-K229 PolarHBondContact OD1-N 2.94Å; K229-Q232 PolarHBondContact O-N 2.79Å; K229-I233 HydrophobicContact CG-CD1 4.15Å; K229-I233 WeakPolarHBondContact O-CG1 3.33Å; K229-I233 PolarHBondContact O-N 2.9Å
230A83.4Confident83Confident0 Ų079.4 Ų79.40%039%0.386CS..Hα-helixtrans-60.3-47.9173.600000111.8P182 Y183 D226 P227 Q232 I233 L234P182-A230 HydrophobicContact CB-CB 4.48Å; P182-A230 HydrophobicContact CG-CB 4.29Å; Y183-A230 HydrophobicContact CD1-CB 3.87Å; Y183-A230 HydrophobicContact CE1-CB 3.81Å; D226-A230 PolarHBondContact O-N 3.47Å; P227-A230 PolarHBondContact O-N 2.85Å; A230-Q232 PolarHBondContact O-N 3.08Å; A230-I233 PolarHBondContact O-N 3.12Å; A230-L234 WeakPolarHBondContact O-CG 3.26Å; A230-L234 PolarHBondContact O-N 3.38Å
231L79.7Confident82.9Confident36 Ų3681.9 Ų81.919%0.18840%0.401CS..Hα-helixtrans-61.1-41.6174.1-73.8-169.4000113.2L178 P182 M185 A190 P227 I233 L234 G235L178-L231 HydrophobicContact CD1-CD1 4.01Å; L178-L231 HydrophobicContact CD2-CD1 3.62Å; L178-L231 HydrophobicContact CD2-CG 4.03Å; L178-L231 HydrophobicContact CG-CD1 3.64Å; P182-L231 HydrophobicContact CB-CD2 3.54Å; P182-L231 HydrophobicContact CB-CG 3.72Å; M185-L231 HydrophobicContact CE-CD2 4.18Å; M185-L231 HydrophobicContact SD-CD2 3.81Å; A190-L231 HydrophobicContact CB-CD2 4.07Å; P227-L231 PolarHBondContact O-N 3.46Å; P227-L231 VanDerWaalsContact O-N 3.1Å; L231-I233 PolarHBondContact O-N 3.16Å; L231-L234 HydrophobicContact CD2-CD1 4.19Å; L231-L234 PolarHBondContact O-N 3.08Å; L231-G235 PolarHBondContact O-N 2.92Å
232Q80Confident83Confident148 Ų14882.3 Ų82.369%0.69240%0.404SS*.Hα-helixtrans-61-35.6176.7-172.6-179.29.800112R228 K229 A230R228-Q232 WeakPolarHBondContact O-CB 3.48Å; R228-Q232 PolarHBondContact O-N 2.81Å; K229-Q232 PolarHBondContact O-N 2.79Å; A230-Q232 PolarHBondContact O-N 3.08Å
233I85.8Confident83.3Confident59 Ų5982.9 Ų82.930%0.30341%0.412SS..Hα-helixtrans-71.6-47.2175.4-71.3165.1000110.6M222 L225 K229 A230 L231 G235 S236 Y239M222-I233 HydrophobicContact SD-CB 4.21Å; M222-I233 HydrophobicContact SD-CD1 4.49Å; M222-I233 HydrophobicContact SD-CG2 3.69Å; L225-I233 HydrophobicContact CD1-CD1 3.41Å; L225-I233 VanDerWaalsContact CD1-CD1 3.41Å; K229-I233 HydrophobicContact CG-CD1 4.15Å; K229-I233 WeakPolarHBondContact O-CG1 3.33Å; K229-I233 PolarHBondContact O-N 2.9Å; A230-I233 PolarHBondContact O-N 3.12Å; L231-I233 PolarHBondContact O-N 3.16Å; I233-G235 PolarHBondContact O-N 3.33Å; I233-S236 WeakPolarHBondContact O-CB 3.4Å; I233-S236 PolarHBondContact O-N 3.28Å; I233-Y239 HydrophobicContact CG2-CD2 3.65Å; I233-Y239 HydrophobicContact CG2-CE2 3.95Å; I233-Y239 WeakPolarHBondContact O-CB 3.09Å
234L84.6Confident83.7Confident2 Ų278.3 Ų78.31%0.0139%0.392CS..Hα-helixtrans-58.1-44178.1-77.1160000113P182 P187 A190 M222 A230 L231 S236 Y239P182-L234 WeakPolarHBondContact O-CD1 3.43Å; P187-L234 HydrophobicContact CG-CD2 4.33Å; A190-L234 HydrophobicContact CB-CB 3.78Å; M222-L234 HydrophobicContact CE-CD1 4.33Å; M222-L234 HydrophobicContact CE-CD2 4.31Å; M222-L234 HydrophobicContact CE-CG 4.08Å; A230-L234 WeakPolarHBondContact O-CG 3.26Å; A230-L234 PolarHBondContact O-N 3.38Å; L231-L234 HydrophobicContact CD2-CD1 4.19Å; L231-L234 PolarHBondContact O-N 3.08Å; L234-S236 PolarHBondContact O-N 3.42Å; L234-Y239 HydrophobicContact CD2-CD1 4.5Å; L234-Y239 HydrophobicContact CD2-CE1 3.78Å; L234-Y239 HydrophobicContact CD2-CE2 4.09Å; L234-Y239 WeakPolarHBondContact CD2-OH 3.36Å
235G78.7Confident83.9Confident43 Ų4379.2 Ų79.244%0.44339%0.392SS..THydrogen-bonded Turntrans-68.9-7.7176.700000114.6L231 I233L231-G235 PolarHBondContact O-N 2.92Å; I233-G235 PolarHBondContact O-N 3.33Å
236S81.7Confident84.1Confident50 Ų5081.7 Ų81.735%0.3541%0.405SS..  trans-70.7135.1-177.7-175.70000112.7I233 L234 N238 Y239 K264I233-S236 WeakPolarHBondContact O-CB 3.4Å; I233-S236 PolarHBondContact O-N 3.28Å; L234-S236 PolarHBondContact O-N 3.42Å; S236-N238 PolarHBondContact O-N 2.95Å; S236-N238 PolarHBondContact OG-N 3.34Å; S236-Y239 VanDerWaalsContact O-CB 3.23Å; S236-Y239 WeakPolarHBondContact O-CB 3.48Å; S236-Y239 PolarHBondContact O-N 3.12Å; S236-K264 PolarHBondContact O-NZ 3.02Å
237R79.8Confident84.4Confident238 Ų23883.9 Ų83.990%0.89841%0.406SS*.THydrogen-bonded Turntrans-52.2-39.3169.3-69.3-172.4178.8-166.70.5111.2Y239 K264R237-Y239 VanDerWaalsContact C-N 3.35Å; R237-Y239 PolarHBondContact O-N 3.32Å; R237-K264 PolarHBondContact O-NZ 3.25Å
238N81.5Confident84.9Confident141 Ų14190.1 Ų90.175%0.75443%0.43SS*.THydrogen-bonded Turntrans-86.61.3-177-63.70.6000114S236 K240S236-N238 PolarHBondContact O-N 2.95Å; S236-N238 PolarHBondContact OG-N 3.34Å; N238-K240 PolarHBondContact O-N 2.8Å
239Y86.3Confident85.7Confident23 Ų2386.8 Ų86.89%0.0942%0.421CS..PPolyproline II helixtrans-56.1125.1175.3178.9-110.7000111.3P187 W206 M222 I233 L234 S236 R237 P242 K264P187-Y239 HydrophobicContact CB-CD1 4.42Å; P187-Y239 HydrophobicContact CG-CD1 3.89Å; P187-Y239 HydrophobicContact CG-CE1 3.7Å; W206-Y239 AromaticContact CH2-CE1 3.79Å; W206-Y239 HydrophobicContact CH2-CE1 3.79Å; W206-Y239 AromaticContact CZ2-CE1 3.94Å; W206-Y239 HydrophobicContact CZ2-CE1 3.94Å; M222-Y239 HydrophobicContact CE-CE2 4.36Å; M222-Y239 HydrophobicContact SD-CE2 4.43Å; I233-Y239 HydrophobicContact CG2-CD2 3.65Å; I233-Y239 HydrophobicContact CG2-CE2 3.95Å; I233-Y239 WeakPolarHBondContact O-CB 3.09Å; L234-Y239 HydrophobicContact CD2-CD1 4.5Å; L234-Y239 HydrophobicContact CD2-CE1 3.78Å; L234-Y239 HydrophobicContact CD2-CE2 4.09Å; L234-Y239 WeakPolarHBondContact CD2-OH 3.36Å; S236-Y239 VanDerWaalsContact O-CB 3.23Å; S236-Y239 WeakPolarHBondContact O-CB 3.48Å; S236-Y239 PolarHBondContact O-N 3.12Å; R237-Y239 VanDerWaalsContact C-N 3.35Å; R237-Y239 PolarHBondContact O-N 3.32Å; Y239-P242 WeakPolarHBondContact OH-CD 3.5Å; Y239-K264 HydrophobicContact CD1-CD 4.43Å; Y239-K264 WeakPolarHBondContact O-CD 2.99Å; Y239-K264 PolarHBondContact O-NZ 2.71Å
240K89.8Confident86.3Confident177 Ų17782.7 Ų82.777%0.7740%0.402SS*.PPolyproline II helixtrans-98.3134.9171.2-64.5179.9179.8179.10108N238N238-K240 PolarHBondContact O-N 2.8Å
241P92.5Very high86.9Confident55 Ų5584.2 Ų84.236%0.35741%0.413SS..PPolyproline II helixtrans-55.4144.6169.4-2535.2000111.6W206 L262 K264W206-P241 HydrophobicContact CH2-CB 4Å; W206-P241 HydrophobicContact CH2-CG 4.26Å; W206-P241 HydrophobicContact CZ3-CB 4.39Å; W206-P241 HydrophobicContact CZ3-CG 4.42Å; P241-L262 HydrophobicContact CB-CB 4.08Å; P241-L262 VanDerWaalsContact CB-O 3.24Å; P241-L262 WeakPolarHBondContact CB-O 3.24Å; P241-L262 WeakPolarHBondContact CG-O 3.49Å; P241-K264 HydrophobicContact CG-CB 4.04Å
242P93.4Very high87.7Confident30 Ų3087.8 Ų87.820%0.19544%0.439CS..PPolyproline II helixtrans-73.5164.117830-31.6000111.2I210 I213 P221 Y239 L262I210-P242 HydrophobicContact CD1-CG 3.86Å; I213-P242 HydrophobicContact CD1-CB 4.41Å; I213-P242 HydrophobicContact CD1-CG 4.24Å; P221-P242 HydrophobicContact CB-CB 3.8Å; P221-P242 HydrophobicContact CB-CG 4Å; P221-P242 HydrophobicContact CG-CB 3.69Å; P221-P242 HydrophobicContact CG-CG 3.69Å; Y239-P242 WeakPolarHBondContact OH-CD 3.5Å; P242-L262 HydrophobicContact CG-CD1 3.88Å
243S92.6Very high88.4Confident47 Ų4784.7 Ų84.733%0.32943%0.426SS..  trans-140.8160.9168.766.70000108.4Q245 R247S243-Q245 PolarHBondContact O-N 2.98Å; S243-R247 PolarHBondContact OG-NH2 3.32Å
244L93.5Very high89Confident2 Ų281.9 Ų81.91%0.0141%0.412CS..  trans-49.5138.1170.6-61.4164.1000110.7I213 A216 E217 W250 F254 I258I213-L244 HydrophobicContact CB-CD2 4.44Å; I213-L244 HydrophobicContact CG1-CD2 4.11Å; I213-L244 HydrophobicContact CG2-CD2 4.3Å; A216-L244 HydrophobicContact CB-CD2 3.63Å; E217-L244 HydrophobicContact CG-CD2 4.2Å; E217-L244 VanDerWaalsContact OE1-CA 3.32Å; E217-L244 WeakPolarHBondContact OE1-CA 3.47Å; L244-W250 HydrophobicContact CD1-CB 3.87Å; L244-W250 HydrophobicContact CD1-CD2 4.45Å; L244-W250 HydrophobicContact CD1-CG 3.73Å; L244-F254 HydrophobicContact CD1-CD1 3.81Å; L244-F254 HydrophobicContact CD1-CE1 3.76Å; L244-F254 HydrophobicContact CD1-CG 4.39Å; L244-F254 HydrophobicContact CD1-CZ 4.34Å; L244-F254 HydrophobicContact CD2-CE1 4.49Å; L244-I258 HydrophobicContact CD1-CD1 3.53Å; L244-I258 HydrophobicContact CD2-CD1 4.01Å; L244-I258 HydrophobicContact CG-CD1 3.65Å
245Q87.5Confident89.5Confident149 Ų14983.7 Ų83.770%0.69642%0.42SS*.SBendtrans-73.1-52.9-172.7-64.6177.859.400110.9E217 S243 R247E217-Q245 PolarHBondContact OE1-N 2.77Å; E217-Q245 PolarHBondContact OE2-NE2 3.17Å; S243-Q245 PolarHBondContact O-N 2.98Å; Q245-R247 PolarHBondContact O-N 3.35Å
246D85.2Confident90.4Very high78 Ų7883.8 Ų83.842%0.41741%0.414SS..  trans-79.9110.1169.4-172.4-26000109H248 K249 W250D246-H248 PolarHBondContact OD1-N 2.92Å; D246-K249 HydrophobicContact CB-CB 4.04Å; D246-K249 VanDerWaalsContact CG-CB 3.46Å; D246-K249 PolarHBondContact OD1-N 2.89Å; D246-K249 WeakPolarHBondContact OD2-CB 3.26Å; D246-W250 VanDerWaalsContact O-CD1 3.23Å
247R84.4Confident91.2Very high147 Ų14781.4 Ų81.456%0.55540%0.398SS*.SBendtrans-76.6-23.5-180-67.6-173.1176.9-70.6-16.9113.6S243 Q245 H255S243-R247 PolarHBondContact OG-NH2 3.32Å; Q245-R247 PolarHBondContact O-N 3.35Å; R247-H255 PolarHBondContact O-NE2 3.13Å
248H87.4Confident92Very high181 Ų18170.3 Ų70.384%0.83836%0.356SS*.SBendtrans-97.4-24-168.3-62.8-79.6000112.7D246 W250D246-H248 PolarHBondContact OD1-N 2.92Å; H248-W250 PolarHBondContact O-N 3.08Å
249K91.3Very high92.7Very high109 Ų10971.4 Ų71.447%0.47435%0.354SS..SBendtrans-62.4-24.9172.4179.7178.9175.2-166.20114.3D246D246-K249 HydrophobicContact CB-CB 4.04Å; D246-K249 VanDerWaalsContact CG-CB 3.46Å; D246-K249 PolarHBondContact OD1-N 2.89Å; D246-K249 WeakPolarHBondContact OD2-CB 3.26Å
250W94.3Very high93.3Very high21 Ų2172 Ų728%0.0836%0.361CS..SBendtrans-124.4146.5-165.5-54.9113.6000113.4P114 E117 A216 L244 D246 H248 F254 H255P114-W250 HydrophobicContact CB-CH2 4.31Å; E117-W250 HydrophobicContact CG-CE3 3.71Å; E117-W250 HydrophobicContact CG-CZ3 3.99Å; E117-W250 VanDerWaalsContact OE1-CA 3.25Å; E117-W250 WeakPolarHBondContact OE1-CA 3.46Å; A216-W250 HydrophobicContact CB-CH2 3.84Å; A216-W250 HydrophobicContact CB-CZ2 3.51Å; A216-W250 VanDerWaalsContact O-CZ2 3.31Å; A216-W250 WeakPolarHBondContact O-CZ2 3.39Å; L244-W250 HydrophobicContact CD1-CB 3.87Å; L244-W250 HydrophobicContact CD1-CD2 4.45Å; L244-W250 HydrophobicContact CD1-CG 3.73Å; D246-W250 VanDerWaalsContact O-CD1 3.23Å; H248-W250 PolarHBondContact O-N 3.08Å; W250-F254 HydrophobicContact CB-CD1 4.01Å; W250-F254 HydrophobicContact CD2-CD1 4.1Å; W250-F254 HydrophobicContact CD2-CE1 4.02Å; W250-F254 AromaticContact CE3-CD1 3.88Å; W250-F254 HydrophobicContact CE3-CD1 3.88Å; W250-F254 AromaticContact CE3-CE1 3.83Å; W250-F254 HydrophobicContact CE3-CE1 3.83Å; W250-F254 HydrophobicContact CG-CD1 4.2Å; W250-F254 HydrophobicContact CG-CE1 4.42Å; W250-F254 HydrophobicContact CZ3-CE1 4.23Å; W250-H255 PolarHBondContact O-CD2 3.5Å; W250-H255 PolarHBondContact O-NE2 2.88Å
251S95.5Very high93.6Very high32 Ų3263.6 Ų63.622%0.22433%0.325CS..  trans-69.2152.1-171.280.30000113.6E117 L253 F254 H255E117-S251 PolarHBondContact OE1-N 2.91Å; E117-S251 WeakPolarHBondContact OE2-CB 3.1Å; E117-S251 PolarHBondContact OE2-OG 3.08Å; S251-L253 PolarHBondContact O-N 2.82Å; S251-L253 PolarHBondContact OG-N 3.33Å; S251-F254 PolarHBondContact O-N 3.39Å; S251-F254 VanDerWaalsContact O-N 3.12Å; S251-F254 PolarHBondContact OG-N 3.39Å; S251-F254 VanDerWaalsContact OG-N 3.08Å; S251-H255 PolarHBondContact O-CD2 2.87Å; S251-H255 VanDerWaalsContact O-CD2 3.27Å; S251-H255 PolarHBondContact O-N 2.8Å
252P95.4Very high93.8Very high112 Ų11261.2 Ų61.273%0.72731%0.309SS*.Hα-helixtrans-57.8-27.2171.9-25.635.4000113.7S256P252-S256 VanDerWaalsContact O-CB 3.24Å; P252-S256 WeakPolarHBondContact O-CB 3.24Å; P252-S256 PolarHBondContact O-N 3.21Å
253L95.7Very high93.9Very high83 Ų8362.2 Ų62.244%0.43531%0.312SS..Hα-helixtrans-70.2-43.7175.5-66.1179.1000111.2S251 S256 F257 H278 N279 F280S251-L253 PolarHBondContact O-N 2.82Å; S251-L253 PolarHBondContact OG-N 3.33Å; L253-S256 WeakPolarHBondContact O-CB 3.36Å; L253-S256 PolarHBondContact O-N 3.4Å; L253-F257 PolarHBondContact O-N 2.81Å; L253-H278 VanDerWaalsContact C-CE1 3.44Å; L253-H278 PolarHBondContact O-CE1 3.37Å; L253-N279 HydrophobicContact CD2-CB 4.04Å; L253-F280 HydrophobicContact CB-CB 4.32Å; L253-F280 HydrophobicContact CB-CD2 4.22Å
254F97.2Very high93.8Very high0 Ų063.2 Ų63.20%031%0.311CS..Hα-helixtrans-67-44177.5-171.7-158.4000112E117 I120 A212 A216 L244 W250 S251 S256 F257 I258 F280E117-F254 HydrophobicContact CG-CB 4.49Å; E117-F254 HydrophobicContact CG-CD1 3.77Å; E117-F254 HydrophobicContact CG-CE1 4.33Å; E117-F254 HydrophobicContact CG-CG 4.34Å; E117-F254 WeakPolarHBondContact OE2-CB 3.33Å; I120-F254 HydrophobicContact CD1-CE1 4.12Å; I120-F254 HydrophobicContact CD1-CZ 3.87Å; I120-F254 HydrophobicContact CG2-CE2 3.78Å; I120-F254 HydrophobicContact CG2-CZ 3.83Å; A212-F254 HydrophobicContact CB-CE2 4.08Å; A216-F254 HydrophobicContact CB-CE1 3.99Å; A216-F254 HydrophobicContact CB-CZ 4.09Å; L244-F254 HydrophobicContact CD1-CD1 3.81Å; L244-F254 HydrophobicContact CD1-CE1 3.76Å; L244-F254 HydrophobicContact CD1-CG 4.39Å; L244-F254 HydrophobicContact CD1-CZ 4.34Å; L244-F254 HydrophobicContact CD2-CE1 4.49Å; W250-F254 HydrophobicContact CB-CD1 4.01Å; W250-F254 HydrophobicContact CD2-CD1 4.1Å; W250-F254 HydrophobicContact CD2-CE1 4.02Å; W250-F254 AromaticContact CE3-CD1 3.88Å; W250-F254 HydrophobicContact CE3-CD1 3.88Å; W250-F254 AromaticContact CE3-CE1 3.83Å; W250-F254 HydrophobicContact CE3-CE1 3.83Å; W250-F254 HydrophobicContact CG-CD1 4.2Å; W250-F254 HydrophobicContact CG-CE1 4.42Å; W250-F254 HydrophobicContact CZ3-CE1 4.23Å; S251-F254 PolarHBondContact O-N 3.39Å; S251-F254 VanDerWaalsContact O-N 3.12Å; S251-F254 PolarHBondContact OG-N 3.39Å; S251-F254 VanDerWaalsContact OG-N 3.08Å; F254-S256 VanDerWaalsContact C-N 3.26Å; F254-S256 PolarHBondContact O-N 3.12Å; F254-F257 PolarHBondContact O-N 2.85Å; F254-I258 HydrophobicContact CD2-CD1 3.89Å; F254-I258 HydrophobicContact CD2-CG1 4.11Å; F254-I258 HydrophobicContact CE1-CD1 4.42Å; F254-I258 HydrophobicContact CE2-CD1 3.55Å; F254-I258 HydrophobicContact CE2-CG1 3.91Å; F254-I258 HydrophobicContact CG-CD1 4.46Å; F254-I258 HydrophobicContact CZ-CD1 3.83Å; F254-I258 PolarHBondContact O-N 3.35Å; F254-F280 HydrophobicContact CB-CD2 3.97Å; F254-F280 HydrophobicContact CB-CE2 3.53Å; F254-F280 HydrophobicContact CB-CZ 3.94Å; F254-F280 HydrophobicContact CD1-CZ 4.46Å; F254-F280 HydrophobicContact CD2-CD1 4.25Å; F254-F280 AromaticContact CD2-CE1 3.51Å; F254-F280 HydrophobicContact CD2-CE1 3.51Å; F254-F280 AromaticContact CD2-CE2 3.82Å; F254-F280 HydrophobicContact CD2-CE2 3.82Å; F254-F280 AromaticContact CD2-CZ 3.26Å; F254-F280 HydrophobicContact CD2-CZ 3.26Å; F254-F280 AromaticContact CE2-CE1 3.94Å; F254-F280 HydrophobicContact CE2-CE1 3.94Å; F254-F280 AromaticContact CE2-CZ 3.81Å; F254-F280 HydrophobicContact CE2-CZ 3.81Å; F254-F280 HydrophobicContact CG-CE1 4.33Å; F254-F280 AromaticContact CG-CE2 3.8Å; F254-F280 HydrophobicContact CG-CE2 3.8Å; F254-F280 AromaticContact CG-CZ 3.66Å; F254-F280 HydrophobicContact CG-CZ 3.66Å
255H96.6Very high93.5Very high40 Ų4065.6 Ų65.619%0.18533%0.33CS..Hα-helixtrans-58.3-37.5170.8-78-77.4000112.2R247 W250 S251 K259R247-H255 PolarHBondContact O-NE2 3.13Å; W250-H255 PolarHBondContact O-CD2 3.5Å; W250-H255 PolarHBondContact O-NE2 2.88Å; S251-H255 PolarHBondContact O-CD2 2.87Å; S251-H255 VanDerWaalsContact O-CD2 3.27Å; S251-H255 PolarHBondContact O-N 2.8Å; H255-K259 WeakPolarHBondContact O-CB 3.44Å; H255-K259 PolarHBondContact O-N 3.3Å
256S96.7Very high93.5Very high45 Ų4560.4 Ų60.432%0.31531%0.306SS..Hα-helixtrans-65.6-45.1175-176.80000111.9P252 L253 F254 K259 C260 H278P252-S256 VanDerWaalsContact O-CB 3.24Å; P252-S256 WeakPolarHBondContact O-CB 3.24Å; P252-S256 PolarHBondContact O-N 3.21Å; L253-S256 WeakPolarHBondContact O-CB 3.36Å; L253-S256 PolarHBondContact O-N 3.4Å; F254-S256 VanDerWaalsContact C-N 3.26Å; F254-S256 PolarHBondContact O-N 3.12Å; S256-K259 PolarHBondContact O-N 3.01Å; S256-C260 PolarHBondContact O-N 2.93Å; S256-C260 PolarHBondContact O-SG 3.01Å; S256-C260 VanDerWaalsContact O-SG 3.39Å; S256-H278 WeakPolarHBondContact CB-CE1 3.2Å; S256-H278 WeakPolarHBondContact CB-NE2 3.37Å; S256-H278 PolarHBondContact O-NE2 3.29Å; S256-H278 VanDerWaalsContact O-NE2 3.13Å; S256-H278 PolarHBondContact OG-NE2 2.83Å
257F97.8Very high93.6Very high0 Ų067.8 Ų67.80%033%0.328CS..Hα-helixtrans-59.4-51.6178.5179.9-96.9000111.8L128 V208 A212 L253 F254 K259 C260 C261 M275 H278 F280 I281L128-F257 HydrophobicContact CD1-CE2 4.04Å; L128-F257 HydrophobicContact CD1-CZ 3.94Å; V208-F257 HydrophobicContact CG1-CE1 4.28Å; V208-F257 HydrophobicContact CG1-CZ 4.11Å; A212-F257 HydrophobicContact CB-CE1 4.38Å; L253-F257 PolarHBondContact O-N 2.81Å; F254-F257 PolarHBondContact O-N 2.85Å; F257-K259 VanDerWaalsContact C-N 3.32Å; F257-K259 PolarHBondContact O-N 3.33Å; F257-C260 WeakPolarHBondContact O-CB 3.24Å; F257-C260 PolarHBondContact O-N 2.81Å; F257-C260 VanDerWaalsContact O-N 3.14Å; F257-C261 PolarHBondContact O-N 2.99Å; F257-M275 HydrophobicContact CD2-CE 3.29Å; F257-M275 HydrophobicContact CE2-CE 3.21Å; F257-M275 HydrophobicContact CG-CE 4.09Å; F257-M275 HydrophobicContact CZ-CE 3.96Å; F257-H278 HydrophobicContact CD2-CB 4.37Å; F257-H278 AromaticContact CD2-ND1 3.9Å; F257-H278 PolarHBondContact N-CE1 2.98Å; F257-H278 PolarHBondContact N-NE2 3.31Å; F257-F280 HydrophobicContact CB-CB 3.86Å; F257-F280 HydrophobicContact CB-CD1 3.62Å; F257-F280 HydrophobicContact CB-CE1 4.45Å; F257-F280 HydrophobicContact CB-CG 3.92Å; F257-F280 AromaticContact CD1-CD1 3.79Å; F257-F280 HydrophobicContact CD1-CD1 3.79Å; F257-F280 HydrophobicContact CD1-CE1 4.06Å; F257-F280 HydrophobicContact CD2-CB 4.22Å; F257-F280 AromaticContact CD2-CD1 3.78Å; F257-F280 HydrophobicContact CD2-CD1 3.78Å; F257-F280 HydrophobicContact CD2-CG 4.47Å; F257-F280 HydrophobicContact CE1-CD1 4.4Å; F257-F280 HydrophobicContact CE2-CD1 4.39Å; F257-F280 HydrophobicContact CG-CB 4.28Å; F257-F280 AromaticContact CG-CD1 3.45Å; F257-F280 HydrophobicContact CG-CD1 3.45Å; F257-F280 VanDerWaalsContact CG-CD1 3.45Å; F257-F280 HydrophobicContact CG-CE1 4.19Å; F257-F280 HydrophobicContact CG-CG 4.2Å; F257-I281 HydrophobicContact CD2-CG2 4.06Å; F257-I281 HydrophobicContact CE2-CD1 4.05Å; F257-I281 HydrophobicContact CE2-CG1 4.33Å; F257-I281 HydrophobicContact CE2-CG2 3.68Å; F257-I281 HydrophobicContact CZ-CG2 4.19Å
258I97.7Very high94Very high5 Ų570.7 Ų70.73%0.02634%0.339CS..Hα-helixtrans-59.4-43.5176.7-69171000110.8A212 I213 L244 F254 C260 C261 L262A212-I258 HydrophobicContact CB-CG1 4.33Å; I213-I258 HydrophobicContact CD1-CG2 4.02Å; I213-I258 HydrophobicContact CG1-CD1 3.92Å; I213-I258 HydrophobicContact CG1-CG2 4.22Å; L244-I258 HydrophobicContact CD1-CD1 3.53Å; L244-I258 HydrophobicContact CD2-CD1 4.01Å; L244-I258 HydrophobicContact CG-CD1 3.65Å; F254-I258 HydrophobicContact CD2-CD1 3.89Å; F254-I258 HydrophobicContact CD2-CG1 4.11Å; F254-I258 HydrophobicContact CE1-CD1 4.42Å; F254-I258 HydrophobicContact CE2-CD1 3.55Å; F254-I258 HydrophobicContact CE2-CG1 3.91Å; F254-I258 HydrophobicContact CG-CD1 4.46Å; F254-I258 HydrophobicContact CZ-CD1 3.83Å; F254-I258 PolarHBondContact O-N 3.35Å; I258-C260 VanDerWaalsContact C-N 3.29Å; I258-C260 PolarHBondContact O-N 2.68Å; I258-C261 PolarHBondContact O-N 3.38Å; I258-L262 HydrophobicContact CG2-CD1 3.6Å; I258-L262 HydrophobicContact CG2-CG 4.18Å; I258-L262 WeakPolarHBondContact O-CB 3.36Å; I258-L262 WeakPolarHBondContact O-CG 3.39Å; I258-L262 PolarHBondContact O-N 3.32Å
259K96.8Very high94.3Very high164 Ų16462.2 Ų62.271%0.71330%0.299SS*.Hα-helixtrans-62.7-33178-178.4-177.7176.1-172.30112.8H255 S256 F257 I263H255-K259 WeakPolarHBondContact O-CB 3.44Å; H255-K259 PolarHBondContact O-N 3.3Å; S256-K259 PolarHBondContact O-N 3.01Å; F257-K259 VanDerWaalsContact C-N 3.32Å; F257-K259 PolarHBondContact O-N 3.33Å; K259-I263 WeakPolarHBondContact O-CG1 3.48Å
260C97.2Very high94.6Very high36 Ų3658 Ų5824%0.24328%0.283CS..Hα-helixtrans-71.9-44.9173.8-74.60000112S256 F257 I258 I263 P270 M275S256-C260 PolarHBondContact O-N 2.93Å; S256-C260 PolarHBondContact O-SG 3.01Å; S256-C260 VanDerWaalsContact O-SG 3.39Å; F257-C260 WeakPolarHBondContact O-CB 3.24Å; F257-C260 PolarHBondContact O-N 2.81Å; F257-C260 VanDerWaalsContact O-N 3.14Å; I258-C260 VanDerWaalsContact C-N 3.29Å; I258-C260 PolarHBondContact O-N 2.68Å; C260-I263 WeakPolarHBondContact O-CG1 3.47Å; C260-P270 HydrophobicContact CB-CG 4.32Å; C260-P270 VanDerWaalsContact O-CD 3.31Å; C260-P270 WeakPolarHBondContact O-CD 3.27Å; C260-M275 HydrophobicContact CB-CE 4.16Å; C260-M275 HydrophobicContact CB-SD 3.76Å
261C97.4Very high94.6Very high0 Ų060 Ų600%030%0.295CS..Hα-helixtrans-62.4-44.2174.8-74.30000112.6I205 G209 F257 I258 I263 R269I205-C261 HydrophobicContact CG2-CB 4.44Å; I205-C261 VanDerWaalsContact O-CB 3.32Å; I205-C261 WeakPolarHBondContact O-CB 3.4Å; G209-C261 VanDerWaalsContact CA-CB 3.48Å; F257-C261 PolarHBondContact O-N 2.99Å; I258-C261 PolarHBondContact O-N 3.38Å; C261-I263 VanDerWaalsContact C-N 3.26Å; C261-I263 PolarHBondContact O-N 3.12Å; C261-I263 VanDerWaalsContact O-N 3.17Å; C261-R269 WeakPolarHBondContact O-CD 3.09Å; C261-R269 WeakPolarHBondContact O-CG 3.23Å; C261-R269 PolarHBondContact O-NE 2.73Å
262L96.7Very high94.7Very high4 Ų458.4 Ų58.42%0.02129%0.285CS..THydrogen-bonded Turntrans-90.132-170.8-56.9-176.2000113.9W206 I210 I213 P241 P242 I258 K264W206-L262 HydrophobicContact CD2-CD2 3.64Å; W206-L262 HydrophobicContact CE3-CB 4.28Å; W206-L262 HydrophobicContact CE3-CD2 3.9Å; W206-L262 HydrophobicContact CG-CD2 4.01Å; W206-L262 HydrophobicContact CH2-CB 4.3Å; W206-L262 HydrophobicContact CH2-CD2 4.35Å; W206-L262 HydrophobicContact CZ2-CD2 4.15Å; W206-L262 HydrophobicContact CZ3-CB 4Å; W206-L262 HydrophobicContact CZ3-CD2 4.25Å; W206-L262 VanDerWaalsContact CZ3-O 3.29Å; W206-L262 WeakPolarHBondContact CZ3-O 3.4Å; W206-L262 WeakPolarHBondContact O-CD2 3.36Å; I210-L262 HydrophobicContact CD1-CD1 4.08Å; I210-L262 HydrophobicContact CD1-CD2 3.77Å; I210-L262 HydrophobicContact CG1-CD2 4Å; I213-L262 HydrophobicContact CD1-CD1 3.8Å; P241-L262 HydrophobicContact CB-CB 4.08Å; P241-L262 VanDerWaalsContact CB-O 3.24Å; P241-L262 WeakPolarHBondContact CB-O 3.24Å; P241-L262 WeakPolarHBondContact CG-O 3.49Å; P242-L262 HydrophobicContact CG-CD1 3.88Å; I258-L262 HydrophobicContact CG2-CD1 3.6Å; I258-L262 HydrophobicContact CG2-CG 4.18Å; I258-L262 WeakPolarHBondContact O-CB 3.36Å; I258-L262 WeakPolarHBondContact O-CG 3.39Å; I258-L262 PolarHBondContact O-N 3.32Å; L262-K264 PolarHBondContact O-N 3.21Å
263I94.7Very high94.7Very high52 Ų5255.3 Ų55.327%0.26727%0.268SS..  trans-69.6113.8171.2-65.3175.8000109.2K259 C260 C261 A265 R268 R269K259-I263 WeakPolarHBondContact O-CG1 3.48Å; C260-I263 WeakPolarHBondContact O-CG1 3.47Å; C261-I263 VanDerWaalsContact C-N 3.26Å; C261-I263 PolarHBondContact O-N 3.12Å; C261-I263 VanDerWaalsContact O-N 3.17Å; I263-A265 HydrophobicContact CG2-CB 4.42Å; I263-A265 PolarHBondContact O-N 3.18Å; I263-A265 VanDerWaalsContact O-N 3.17Å; I263-R268 WeakPolarHBondContact CD1-O 3.23Å; I263-R268 HydrophobicContact CG2-CB 3.85Å; I263-R269 HydrophobicContact CB-CB 4.2Å; I263-R269 HydrophobicContact CB-CG 4.32Å; I263-R269 PolarHBondContact O-NE 3.47Å; I263-R269 PolarHBondContact O-NH2 2.65Å
264K89.9Confident94.8Very high68 Ų6854.8 Ų54.830%0.29627%0.268SS..SBendtrans-59-25.9-179.4-174.5173.1-175.71780114P187 S236 R237 Y239 P241 L262P187-K264 HydrophobicContact CB-CG 4.37Å; P187-K264 HydrophobicContact CG-CG 4.34Å; S236-K264 PolarHBondContact O-NZ 3.02Å; R237-K264 PolarHBondContact O-NZ 3.25Å; Y239-K264 HydrophobicContact CD1-CD 4.43Å; Y239-K264 WeakPolarHBondContact O-CD 2.99Å; Y239-K264 PolarHBondContact O-NZ 2.71Å; P241-K264 HydrophobicContact CG-CB 4.04Å; L262-K264 PolarHBondContact O-N 3.21Å
265A87.4Confident94.8Very high51 Ų5154.9 Ų54.942%0.42127%0.269SS..SBendtrans-93.998.3176.900000110.2I263 R267 R268 R269I263-A265 HydrophobicContact CG2-CB 4.42Å; I263-A265 PolarHBondContact O-N 3.18Å; I263-A265 VanDerWaalsContact O-N 3.17Å; A265-R267 VanDerWaalsContact C-N 3.29Å; A265-R267 PolarHBondContact O-N 3.35Å; A265-R267 VanDerWaalsContact O-N 3.13Å; A265-R268 HydrophobicContact CB-CB 4.29Å; A265-R268 HydrophobicContact CB-CG 4.49Å; A265-R268 CarbonylContact O-C 3.6Å; A265-R268 WeakPolarHBondContact O-CA 3.15Å; A265-R268 PolarHBondContact O-N 2.76Å; A265-R269 PolarHBondContact O-N 3.17Å; A265-R269 VanDerWaalsContact O-N 3.13Å
266E87.2Confident94.8Very high40 Ų4054.8 Ų54.819%0.18727%0.27CS..G310 helixtrans-31.3-55.9173-179.2-173.3-147.300113.9E188 Y199 D200 K202 R268 R269E188-E266 HydrophobicContact CG-CB 4.28Å; E188-E266 HydrophobicContact CG-CG 4.4Å; Y199-E266 WeakPolarHBondContact CA-OE1 3.2Å; D200-E266 PolarHBondContact N-OE1 3Å; K202-E266 HydrophobicContact CB-CG 4.35Å; E266-R268 PolarHBondContact O-N 3.24Å; E266-R268 VanDerWaalsContact O-N 3.1Å; E266-R269 WeakPolarHBondContact O-CB 3.44Å; E266-R269 PolarHBondContact O-N 3.38Å
267R87.5Confident94.9Very high234 Ų23457.3 Ų57.388%0.88328%0.283SS*.G310 helixtrans-61.4-18.5179.4-62.7-176.1-176.1174.8-0.1115.8A265A265-R267 VanDerWaalsContact C-N 3.29Å; A265-R267 PolarHBondContact O-N 3.35Å; A265-R267 VanDerWaalsContact O-N 3.13Å
268R93Very high94.9Very high207 Ų20758.6 Ų58.678%0.78129%0.289SS*.G310 helixtrans-104.3-6.8175-69.3-173.4176.6-174.5-1112.6I263 A265 E266I263-R268 WeakPolarHBondContact CD1-O 3.23Å; I263-R268 HydrophobicContact CG2-CB 3.85Å; A265-R268 HydrophobicContact CB-CB 4.29Å; A265-R268 HydrophobicContact CB-CG 4.49Å; A265-R268 CarbonylContact O-C 3.6Å; A265-R268 WeakPolarHBondContact O-CA 3.15Å; A265-R268 PolarHBondContact O-N 2.76Å; E266-R268 PolarHBondContact O-N 3.24Å; E266-R268 VanDerWaalsContact O-N 3.1Å
269R95.2Very high94.8Very high3 Ų363.7 Ų63.71%0.01132%0.317CS..SBendtrans-73.9133.5173.7-160.8180-57.5141.98.4108.1E188 K202 I205 C261 I263 A265 E266E188-R269 IonicContact OE1-CZ 3.41Å; E188-R269 IonicContact OE1-NH1 2.68Å; E188-R269 PolarHBondContact OE1-NH1 3.47Å; E188-R269 IonicContact OE1-NH2 3.25Å; E188-R269 PolarHBondContact OE1-NH2 3.09Å; E188-R269 IonicContact OE2-CZ 3.76Å; E188-R269 IonicContact OE2-NH1 3.77Å; E188-R269 IonicContact OE2-NH2 2.84Å; E188-R269 PolarHBondContact OE2-NH2 3.13Å; K202-R269 VanDerWaalsContact C-NH1 3.29Å; K202-R269 HydrophobicContact CB-CB 4.36Å; K202-R269 HydrophobicContact CD-CB 4.37Å; K202-R269 WeakPolarHBondContact CD-O 3.35Å; K202-R269 VanDerWaalsContact CE-O 3.3Å; K202-R269 WeakPolarHBondContact CE-O 3.34Å; K202-R269 PolarHBondContact NZ-O 3.24Å; K202-R269 VanDerWaalsContact O-CD 3.31Å; K202-R269 WeakPolarHBondContact O-CD 3.37Å; K202-R269 PolarHBondContact O-NH1 2.91Å; I205-R269 HydrophobicContact CG2-CG 4.33Å; C261-R269 WeakPolarHBondContact O-CD 3.09Å; C261-R269 WeakPolarHBondContact O-CG 3.23Å; C261-R269 PolarHBondContact O-NE 2.73Å; I263-R269 HydrophobicContact CB-CB 4.2Å; I263-R269 HydrophobicContact CB-CG 4.32Å; I263-R269 PolarHBondContact O-NE 3.47Å; I263-R269 PolarHBondContact O-NH2 2.65Å; A265-R269 PolarHBondContact O-N 3.17Å; A265-R269 VanDerWaalsContact O-N 3.13Å; E266-R269 WeakPolarHBondContact O-CB 3.44Å; E266-R269 PolarHBondContact O-N 3.38Å
270P96Very high94.8Very high20 Ų2056.5 Ų56.513%0.1329%0.285CS..  trans-63.3153.1172.326.8-35.1000111.3K202 C260 T274 M275K202-P270 WeakPolarHBondContact CD-O 3.39Å; C260-P270 HydrophobicContact CB-CG 4.32Å; C260-P270 VanDerWaalsContact O-CD 3.31Å; C260-P270 WeakPolarHBondContact O-CD 3.27Å; P270-T274 HydrophobicContact CB-CG2 3.6Å; P270-M275 HydrophobicContact CB-CG 4.04Å; P270-M275 HydrophobicContact CB-SD 4Å; P270-M275 HydrophobicContact CG-CG 3.74Å; P270-M275 HydrophobicContact CG-SD 3.27Å; P270-M275 WeakPolarHBondContact CG-SD 3.4Å
271D95.3Very high94.7Very high63 Ų6354.8 Ų54.834%0.33727%0.274SS..  trans-82.3176.316941.955.5000111.4K202 A273 T274 M275K202-D271 HydrophobicContact CD-CB 4.26Å; D271-A273 VanDerWaalsContact C-N 3.32Å; D271-A273 PolarHBondContact O-N 2.87Å; D271-T274 PolarHBondContact O-N 3.34Å; D271-T274 VanDerWaalsContact OD1-CB 3.23Å; D271-T274 WeakPolarHBondContact OD1-CB 3.45Å; D271-T274 PolarHBondContact OD1-N 3.4Å; D271-T274 PolarHBondContact OD1-OG1 3.32Å; D271-M275 WeakPolarHBondContact O-CG 3.08Å; D271-M275 PolarHBondContact O-N 3.48Å
272A96.3Very high94.6Very high0 Ų058 Ų580%029%0.294CS..Hα-helixtrans-58.6-43.1177.700000112.1L128 L131 N132 I205 T274 M275 L276L128-A272 HydrophobicContact CD2-CB 4.32Å; L131-A272 HydrophobicContact CB-CB 4.35Å; N132-A272 HydrophobicContact CB-CB 3.65Å; I205-A272 HydrophobicContact CD1-CB 3.88Å; A272-T274 PolarHBondContact O-N 2.87Å; A272-M275 PolarHBondContact O-N 2.87Å; A272-L276 WeakPolarHBondContact O-CB 3.28Å; A272-L276 WeakPolarHBondContact O-CG 3.25Å; A272-L276 PolarHBondContact O-N 3.49Å
273A96.7Very high94.2Very high46 Ų4659.9 Ų59.938%0.3830%0.304SS..Hα-helixtrans-60.1-43.3177.200000112.4D271 L276D271-A273 VanDerWaalsContact C-N 3.32Å; D271-A273 PolarHBondContact O-N 2.87Å; A273-L276 PolarHBondContact O-N 3.23Å
274T97.3Very high93.9Very high72 Ų7263 Ų6344%0.44233%0.328SS..Hα-helixtrans-68.1-42.4175.5-55.90000111.6P270 D271 A272 L276 T277P270-T274 HydrophobicContact CB-CG2 3.6Å; D271-T274 PolarHBondContact O-N 3.34Å; D271-T274 VanDerWaalsContact OD1-CB 3.23Å; D271-T274 WeakPolarHBondContact OD1-CB 3.45Å; D271-T274 PolarHBondContact OD1-N 3.4Å; D271-T274 PolarHBondContact OD1-OG1 3.32Å; A272-T274 PolarHBondContact O-N 2.87Å; T274-L276 VanDerWaalsContact C-N 3.28Å; T274-L276 PolarHBondContact O-N 3.46Å; T274-T277 PolarHBondContact O-N 2.66Å; T274-T277 VanDerWaalsContact O-N 3.16Å; T274-T277 PolarHBondContact O-OG1 3.1Å
275M97.7Very high93.9Very high3 Ų366.9 Ų66.92%0.01535%0.346CS..Hα-helixtrans-64.1-33.4177.7-76.3-56.6-54.100112.4L128 I205 F257 C260 P270 D271 A272 T277 H278 I281L128-M275 HydrophobicContact CD1-CB 3.8Å; L128-M275 HydrophobicContact CD2-CB 4.05Å; I205-M275 HydrophobicContact CG2-CG 3.85Å; F257-M275 HydrophobicContact CD2-CE 3.29Å; F257-M275 HydrophobicContact CE2-CE 3.21Å; F257-M275 HydrophobicContact CG-CE 4.09Å; F257-M275 HydrophobicContact CZ-CE 3.96Å; C260-M275 HydrophobicContact CB-CE 4.16Å; C260-M275 HydrophobicContact CB-SD 3.76Å; P270-M275 HydrophobicContact CB-CG 4.04Å; P270-M275 HydrophobicContact CB-SD 4Å; P270-M275 HydrophobicContact CG-CG 3.74Å; P270-M275 HydrophobicContact CG-SD 3.27Å; P270-M275 WeakPolarHBondContact CG-SD 3.4Å; D271-M275 WeakPolarHBondContact O-CG 3.08Å; D271-M275 PolarHBondContact O-N 3.48Å; A272-M275 PolarHBondContact O-N 2.87Å; M275-T277 PolarHBondContact O-N 3.32Å; M275-T277 VanDerWaalsContact O-N 3.1Å; M275-H278 HydrophobicContact CE-CB 4.34Å; M275-H278 VanDerWaalsContact O-CB 3.28Å; M275-H278 WeakPolarHBondContact O-CB 3.23Å; M275-H278 PolarHBondContact O-N 2.87Å; M275-I281 WeakPolarHBondContact O-CD1 3.37Å
276L97.4Very high94.2Very high38 Ų3864.7 Ų64.720%0.19933%0.327CS..THydrogen-bonded Turntrans-62.7-10.1175-74.4167000114.5R125 L128 Q129 N132 A272 A273 T274 I281 T282R125-L276 HydrophobicContact CG-CD2 4.06Å; L128-L276 HydrophobicContact CB-CD2 3.73Å; L128-L276 HydrophobicContact CB-CG 3.98Å; Q129-L276 HydrophobicContact CG-CD1 4.26Å; Q129-L276 HydrophobicContact CG-CD2 3.74Å; N132-L276 HydrophobicContact CB-CD1 4Å; A272-L276 WeakPolarHBondContact O-CB 3.28Å; A272-L276 WeakPolarHBondContact O-CG 3.25Å; A272-L276 PolarHBondContact O-N 3.49Å; A273-L276 PolarHBondContact O-N 3.23Å; T274-L276 VanDerWaalsContact C-N 3.28Å; T274-L276 PolarHBondContact O-N 3.46Å; L276-I281 HydrophobicContact CD2-CD1 4.25Å; L276-T282 VanDerWaalsContact O-CG2 3.24Å; L276-T282 WeakPolarHBondContact O-CG2 3.46Å
277T97.2Very high94.6Very high97 Ų9765.2 Ų65.260%0.59534%0.335SS*.THydrogen-bonded Turntrans-96-5.2172.273.70000113.9T274 M275 N279T274-T277 PolarHBondContact O-N 2.66Å; T274-T277 VanDerWaalsContact O-N 3.16Å; T274-T277 PolarHBondContact O-OG1 3.1Å; M275-T277 PolarHBondContact O-N 3.32Å; M275-T277 VanDerWaalsContact O-N 3.1Å; T277-N279 PolarHBondContact O-N 2.9Å
278H97.5Very high95Very high27 Ų2755.6 Ų55.613%0.12530%0.303CS..  trans-72128.9-173.6-171.8-77.3000112.4L253 S256 F257 M275 F280 I281 T282L253-H278 VanDerWaalsContact C-CE1 3.44Å; L253-H278 PolarHBondContact O-CE1 3.37Å; S256-H278 WeakPolarHBondContact CB-CE1 3.2Å; S256-H278 WeakPolarHBondContact CB-NE2 3.37Å; S256-H278 PolarHBondContact O-NE2 3.29Å; S256-H278 VanDerWaalsContact O-NE2 3.13Å; S256-H278 PolarHBondContact OG-NE2 2.83Å; F257-H278 HydrophobicContact CD2-CB 4.37Å; F257-H278 AromaticContact CD2-ND1 3.9Å; F257-H278 PolarHBondContact N-CE1 2.98Å; F257-H278 PolarHBondContact N-NE2 3.31Å; M275-H278 HydrophobicContact CE-CB 4.34Å; M275-H278 VanDerWaalsContact O-CB 3.28Å; M275-H278 WeakPolarHBondContact O-CB 3.23Å; M275-H278 PolarHBondContact O-N 2.87Å; H278-F280 VanDerWaalsContact CE1-CB 3.48Å; H278-F280 WeakPolarHBondContact CE1-CB 3.37Å; H278-F280 WeakPolarHBondContact ND1-CB 3.39Å; H278-F280 PolarHBondContact ND1-N 3.31Å; H278-F280 VanDerWaalsContact ND1-N 3.18Å; H278-F280 PolarHBondContact O-N 2.86Å; H278-I281 WeakPolarHBondContact O-CG1 3.48Å; H278-I281 PolarHBondContact O-N 3.31Å; H278-T282 PolarHBondContact O-N 2.97Å; H278-T282 PolarHBondContact O-OG1 2.86Å
279N95.8Very high95.1Very high113 Ų11349.5 Ų49.560%0.60429%0.285SS*.THydrogen-bonded Turntrans-49.6-27-174.3-67.221.8000115.7L253 T277 I281 T282L253-N279 HydrophobicContact CD2-CB 4.04Å; T277-N279 PolarHBondContact O-N 2.9Å; N279-I281 VanDerWaalsContact C-N 3.28Å; N279-I281 PolarHBondContact O-N 2.82Å; N279-T282 WeakPolarHBondContact CA-OG1 3.33Å
280F96.6Very high95.1Very high12 Ų1250.3 Ų50.35%0.05329%0.29CS..THydrogen-bonded Turntrans-62.4-35.6175.3-179.1-119.2000112.3E117 I120 A121 L253 F254 F257 H278E117-F280 HydrophobicContact CB-CE2 4.14Å; E117-F280 HydrophobicContact CB-CZ 4.48Å; E117-F280 HydrophobicContact CG-CE2 4.4Å; I120-F280 HydrophobicContact CG2-CE1 4.32Å; I120-F280 HydrophobicContact CG2-CZ 4.32Å; A121-F280 HydrophobicContact CB-CD1 4.06Å; A121-F280 HydrophobicContact CB-CD2 4.42Å; A121-F280 HydrophobicContact CB-CE1 3.73Å; A121-F280 HydrophobicContact CB-CE2 4.11Å; A121-F280 HydrophobicContact CB-CG 4.4Å; A121-F280 HydrophobicContact CB-CZ 3.75Å; A121-F280 WeakPolarHBondContact CB-O 3.36Å; L253-F280 HydrophobicContact CB-CB 4.32Å; L253-F280 HydrophobicContact CB-CD2 4.22Å; F254-F280 HydrophobicContact CB-CD2 3.97Å; F254-F280 HydrophobicContact CB-CE2 3.53Å; F254-F280 HydrophobicContact CB-CZ 3.94Å; F254-F280 HydrophobicContact CD1-CZ 4.46Å; F254-F280 HydrophobicContact CD2-CD1 4.25Å; F254-F280 AromaticContact CD2-CE1 3.51Å; F254-F280 HydrophobicContact CD2-CE1 3.51Å; F254-F280 AromaticContact CD2-CE2 3.82Å; F254-F280 HydrophobicContact CD2-CE2 3.82Å; F254-F280 AromaticContact CD2-CZ 3.26Å; F254-F280 HydrophobicContact CD2-CZ 3.26Å; F254-F280 AromaticContact CE2-CE1 3.94Å; F254-F280 HydrophobicContact CE2-CE1 3.94Å; F254-F280 AromaticContact CE2-CZ 3.81Å; F254-F280 HydrophobicContact CE2-CZ 3.81Å; F254-F280 HydrophobicContact CG-CE1 4.33Å; F254-F280 AromaticContact CG-CE2 3.8Å; F254-F280 HydrophobicContact CG-CE2 3.8Å; F254-F280 AromaticContact CG-CZ 3.66Å; F254-F280 HydrophobicContact CG-CZ 3.66Å; F257-F280 HydrophobicContact CB-CB 3.86Å; F257-F280 HydrophobicContact CB-CD1 3.62Å; F257-F280 HydrophobicContact CB-CE1 4.45Å; F257-F280 HydrophobicContact CB-CG 3.92Å; F257-F280 AromaticContact CD1-CD1 3.79Å; F257-F280 HydrophobicContact CD1-CD1 3.79Å; F257-F280 HydrophobicContact CD1-CE1 4.06Å; F257-F280 HydrophobicContact CD2-CB 4.22Å; F257-F280 AromaticContact CD2-CD1 3.78Å; F257-F280 HydrophobicContact CD2-CD1 3.78Å; F257-F280 HydrophobicContact CD2-CG 4.47Å; F257-F280 HydrophobicContact CE1-CD1 4.4Å; F257-F280 HydrophobicContact CE2-CD1 4.39Å; F257-F280 HydrophobicContact CG-CB 4.28Å; F257-F280 AromaticContact CG-CD1 3.45Å; F257-F280 HydrophobicContact CG-CD1 3.45Å; F257-F280 VanDerWaalsContact CG-CD1 3.45Å; F257-F280 HydrophobicContact CG-CE1 4.19Å; F257-F280 HydrophobicContact CG-CG 4.2Å; H278-F280 VanDerWaalsContact CE1-CB 3.48Å; H278-F280 WeakPolarHBondContact CE1-CB 3.37Å; H278-F280 WeakPolarHBondContact ND1-CB 3.39Å; H278-F280 PolarHBondContact ND1-N 3.31Å; H278-F280 VanDerWaalsContact ND1-N 3.18Å; H278-F280 PolarHBondContact O-N 2.86Å
281I96.7Very high95.1Very high0 Ų049.3 Ų49.30%028%0.283CS..THydrogen-bonded Turntrans-112.3-3.4-173.268.6165.9000114.6A121 R125 L128 F257 M275 L276 H278 N279A121-I281 HydrophobicContact CB-CG2 4.08Å; A121-I281 WeakPolarHBondContact O-CG2 3.24Å; R125-I281 HydrophobicContact CB-CB 4.13Å; R125-I281 HydrophobicContact CB-CD1 4.22Å; R125-I281 VanDerWaalsContact CD-O 3.32Å; R125-I281 WeakPolarHBondContact CD-O 3.48Å; R125-I281 HydrophobicContact CG-CD1 4.32Å; L128-I281 HydrophobicContact CD1-CD1 3.6Å; F257-I281 HydrophobicContact CD2-CG2 4.06Å; F257-I281 HydrophobicContact CE2-CD1 4.05Å; F257-I281 HydrophobicContact CE2-CG1 4.33Å; F257-I281 HydrophobicContact CE2-CG2 3.68Å; F257-I281 HydrophobicContact CZ-CG2 4.19Å; M275-I281 WeakPolarHBondContact O-CD1 3.37Å; L276-I281 HydrophobicContact CD2-CD1 4.25Å; H278-I281 WeakPolarHBondContact O-CG1 3.48Å; H278-I281 PolarHBondContact O-N 3.31Å; N279-I281 VanDerWaalsContact C-N 3.28Å; N279-I281 PolarHBondContact O-N 2.82Å
282T94Very high95.1Very high69 Ų6949.9 Ų49.942%0.42328%0.284SS..  trans-92.43.8174.554.10000113.9L276 H278 N279L276-T282 VanDerWaalsContact O-CG2 3.24Å; L276-T282 WeakPolarHBondContact O-CG2 3.46Å; H278-T282 PolarHBondContact O-N 2.97Å; H278-T282 PolarHBondContact O-OG1 2.86Å; N279-T282 WeakPolarHBondContact CA-OG1 3.33Å
283N88.9Confident95Very high43 Ų4357 Ų5723%0.2331%0.311CS..  trans-55.9122172.51709.1000110.6D118 H285 L286D118-N283 PolarHBondContact OD1-ND2 3.08Å; D118-N283 VanDerWaalsContact OD1-ND2 3.1Å; N283-H285 PolarHBondContact O-N 2.88Å; N283-H285 PolarHBondContact OD1-CD2 2.84Å; N283-H285 VanDerWaalsContact OD1-CD2 3.28Å; N283-H285 PolarHBondContact OD1-N 3.13Å; N283-L286 HydrophobicContact CB-CD1 3.85Å; N283-L286 HydrophobicContact CB-CG 3.81Å; N283-L286 WeakPolarHBondContact O-CB 3.19Å; N283-L286 VanDerWaalsContact O-CG 3.28Å; N283-L286 WeakPolarHBondContact O-CG 3.24Å; N283-L286 PolarHBondContact O-N 3.42Å
284P87.5Confident94.9Very high118 Ų11855.8 Ų55.877%0.76630%0.298SS*.THydrogen-bonded Turntrans-69-15.6-17528.2-36.3000114.3L286P284-L286 VanDerWaalsContact C-N 3.25Å; P284-L286 PolarHBondContact O-N 2.87Å
285H90Very high94.7Very high148 Ų14852.5 Ų52.569%0.68528%0.278SS*.THydrogen-bonded Turntrans-75.8-13.9176.2-60-66.6000113.2N283 S287N283-H285 PolarHBondContact O-N 2.88Å; N283-H285 PolarHBondContact OD1-CD2 2.84Å; N283-H285 VanDerWaalsContact OD1-CD2 3.28Å; N283-H285 PolarHBondContact OD1-N 3.13Å; H285-S287 PolarHBondContact O-N 2.86Å; H285-S287 VanDerWaalsContact O-N 3.13Å; H285-S287 PolarHBondContact O-OG 3.42Å
286L93.9Very high94.4Very high5 Ų555.3 Ų55.33%0.02630%0.297CS..  trans-70.2105.5-178.2-61.1-179.4000111.7D118 A121 F122 R125 N283 P284 L290D118-L286 HydrophobicContact CB-CD2 3.63Å; D118-L286 VanDerWaalsContact O-CD2 3.26Å; D118-L286 WeakPolarHBondContact O-CD2 2.79Å; D118-L286 WeakPolarHBondContact OD1-CD2 3.13Å; A121-L286 HydrophobicContact CB-CD1 3.66Å; A121-L286 HydrophobicContact CB-CD2 4.07Å; F122-L286 HydrophobicContact CB-CB 4.28Å; F122-L286 HydrophobicContact CB-CD2 4.44Å; F122-L286 HydrophobicContact CD2-CB 4.36Å; R125-L286 PolarHBondContact NH1-O 2.92Å; R125-L286 PolarHBondContact NH2-O 2.84Å; N283-L286 HydrophobicContact CB-CD1 3.85Å; N283-L286 HydrophobicContact CB-CG 3.81Å; N283-L286 WeakPolarHBondContact O-CB 3.19Å; N283-L286 VanDerWaalsContact O-CG 3.28Å; N283-L286 WeakPolarHBondContact O-CG 3.24Å; N283-L286 PolarHBondContact O-N 3.42Å; P284-L286 VanDerWaalsContact C-N 3.25Å; P284-L286 PolarHBondContact O-N 2.87Å; L286-L290 HydrophobicContact CD2-CD1 3.83Å
287S95.4Very high94.1Very high51 Ų5156.7 Ų56.736%0.35730%0.3SS..  trans-144.3165.1-172.257.90000112H285 L289 L290H285-S287 PolarHBondContact O-N 2.86Å; H285-S287 VanDerWaalsContact O-N 3.13Å; H285-S287 PolarHBondContact O-OG 3.42Å; S287-L289 PolarHBondContact O-N 2.69Å; S287-L290 WeakPolarHBondContact O-CB 3.35Å; S287-L290 PolarHBondContact O-N 3.28Å
288T95.9Very high93.8Very high32 Ų3253.1 Ų53.120%0.19628%0.275CS..THydrogen-bonded Turntrans-55.4-18.6179-30.40000113.5F122 D154 G155 L290 T291 Q292F122-T288 HydrophobicContact CZ-CG2 4.44Å; D154-T288 VanDerWaalsContact O-CG2 3.27Å; D154-T288 WeakPolarHBondContact O-CG2 3.33Å; G155-T288 VanDerWaalsContact C-CG2 3.44Å; G155-T288 WeakPolarHBondContact O-CG2 3.27Å; T288-L290 PolarHBondContact O-N 3.1Å; T288-T291 PolarHBondContact O-N 3.48Å; T288-T291 PolarHBondContact O-OG1 2.9Å; T288-Q292 HydrophobicContact CG2-CG 4.46Å; T288-Q292 WeakPolarHBondContact O-CB 3.41Å; T288-Q292 VanDerWaalsContact O-CG 3.23Å; T288-Q292 WeakPolarHBondContact O-CG 3.46Å; T288-Q292 PolarHBondContact O-N 3.49Å
289L95.4Very high93.4Very high80 Ų8056.4 Ų56.442%0.41929%0.287SS..Hα-helixtrans-56-29.7172.3-176.260000112.7S287 R293S287-L289 PolarHBondContact O-N 2.69Å; L289-R293 HydrophobicContact CD1-CG 4.43Å; L289-R293 WeakPolarHBondContact O-CB 3.29Å; L289-R293 WeakPolarHBondContact O-CG 3.29Å; L289-R293 PolarHBondContact O-N 2.81Å
290L96.1Very high93Very high19 Ų1956.9 Ų56.910%0.09929%0.285CS..Hα-helixtrans-69-46.7178.6-67161.7000111.8D118 F122 L286 S287 T288 L294D118-L290 HydrophobicContact CB-CD1 4.01Å; D118-L290 HydrophobicContact CB-CD2 4Å; F122-L290 HydrophobicContact CB-CD1 3.83Å; F122-L290 HydrophobicContact CG-CD1 4.35Å; L286-L290 HydrophobicContact CD2-CD1 3.83Å; S287-L290 WeakPolarHBondContact O-CB 3.35Å; S287-L290 PolarHBondContact O-N 3.28Å; T288-L290 PolarHBondContact O-N 3.1Å; L290-L294 PolarHBondContact O-N 3.37Å; L290-L294 VanDerWaalsContact O-N 3.15Å
291T96.2Very high92.3Very high0 Ų059 Ų590%030%0.297CS..Hα-helixtrans-72.7-34.117538.90000112.1F122 V123 L151 G155 V157 T288 L294 L295F122-T291 HydrophobicContact CD1-CG2 3.89Å; F122-T291 HydrophobicContact CE1-CG2 3.81Å; F122-T291 WeakPolarHBondContact CE1-OG1 3.49Å; V123-T291 HydrophobicContact CG2-CG2 3.81Å; L151-T291 HydrophobicContact CD1-CG2 3.93Å; L151-T291 HydrophobicContact CD2-CG2 3.78Å; G155-T291 VanDerWaalsContact O-CB 3.28Å; G155-T291 WeakPolarHBondContact O-CB 3.29Å; G155-T291 PolarHBondContact O-OG1 2.88Å; V157-T291 HydrophobicContact CG2-CG2 4.03Å; T288-T291 PolarHBondContact O-N 3.48Å; T288-T291 PolarHBondContact O-OG1 2.9Å; T291-L294 PolarHBondContact O-N 3Å; T291-L295 WeakPolarHBondContact O-CG 3.4Å; T291-L295 PolarHBondContact O-N 2.57Å
292Q95.6Very high91.7Very high74 Ų7461.3 Ų61.335%0.34631%0.308SS..Hα-helixtrans-61.7-44.7171-72.4169-3.500112D154 T288 L294 L295 C296D154-Q292 WeakPolarHBondContact O-CG 3.14Å; D154-Q292 PolarHBondContact O-NE2 2.98Å; T288-Q292 HydrophobicContact CG2-CG 4.46Å; T288-Q292 WeakPolarHBondContact O-CB 3.41Å; T288-Q292 VanDerWaalsContact O-CG 3.23Å; T288-Q292 WeakPolarHBondContact O-CG 3.46Å; T288-Q292 PolarHBondContact O-N 3.49Å; Q292-L294 VanDerWaalsContact C-N 3.32Å; Q292-L294 PolarHBondContact O-N 2.81Å; Q292-L295 PolarHBondContact O-N 2.91Å; Q292-C296 WeakPolarHBondContact O-CB 3.25Å; Q292-C296 PolarHBondContact O-N 2.93Å; Q292-C296 PolarHBondContact O-SG 3.12Å
293R93.9Very high91Very high150 Ų15061 Ų6157%0.56631%0.308SS*.Hα-helixtrans-58.4-43.9173.3-78.5168.7-180-174.71.6111.7L289 C296 Y297L289-R293 HydrophobicContact CD1-CG 4.43Å; L289-R293 WeakPolarHBondContact O-CB 3.29Å; L289-R293 WeakPolarHBondContact O-CG 3.29Å; L289-R293 PolarHBondContact O-N 2.81Å; R293-C296 PolarHBondContact O-N 2.81Å; R293-Y297 WeakPolarHBondContact O-CB 3.4Å; R293-Y297 PolarHBondContact O-N 3.2Å
294L93Very high90.3Very high20 Ų2062.1 Ų62.111%0.10532%0.32CS..Hα-helixtrans-62.8-43.8177.7-176.962.9000112M104 I107 L115 L290 T291 Q292 Y297 R298M104-L294 HydrophobicContact CE-CD2 3.98Å; I107-L294 HydrophobicContact CG2-CD1 3.87Å; I107-L294 HydrophobicContact CG2-CD2 3.69Å; I107-L294 HydrophobicContact CG2-CG 3.59Å; L115-L294 HydrophobicContact CD1-CD2 4.36Å; L115-L294 HydrophobicContact CD2-CD1 3.68Å; L115-L294 HydrophobicContact CD2-CD2 3.77Å; L115-L294 HydrophobicContact CD2-CG 4.4Å; L290-L294 PolarHBondContact O-N 3.37Å; L290-L294 VanDerWaalsContact O-N 3.15Å; T291-L294 PolarHBondContact O-N 3Å; Q292-L294 VanDerWaalsContact C-N 3.32Å; Q292-L294 PolarHBondContact O-N 2.81Å; L294-Y297 PolarHBondContact O-N 3.34Å; L294-R298 WeakPolarHBondContact O-CB 3.37Å; L294-R298 PolarHBondContact O-N 2.8Å
295L93.7Very high89.4Confident4 Ų458.6 Ų58.62%0.02130%0.3CS..Hα-helixtrans-65.3-40.6173.9-71.7173.8000112.4I107 L151 T152 T291 Q292 R298 R299I107-L295 HydrophobicContact CD1-CD2 4.14Å; L151-L295 HydrophobicContact CB-CD1 4.36Å; L151-L295 HydrophobicContact CD1-CD1 4.12Å; L151-L295 HydrophobicContact CD1-CD2 4.06Å; L151-L295 HydrophobicContact CD1-CG 3.95Å; T152-L295 WeakPolarHBondContact O-CD1 3.28Å; T291-L295 WeakPolarHBondContact O-CG 3.4Å; T291-L295 PolarHBondContact O-N 2.57Å; Q292-L295 PolarHBondContact O-N 2.91Å; L295-R298 PolarHBondContact O-N 2.93Å; L295-R299 WeakPolarHBondContact O-CB 3.32Å; L295-R299 VanDerWaalsContact O-CG 3.24Å; L295-R299 WeakPolarHBondContact O-CG 3.37Å; L295-R299 PolarHBondContact O-N 2.81Å
296C92.6Very high88.2Confident61 Ų6158.2 Ų58.241%0.41230%0.296SS..Hα-helixtrans-64.7-43.3175.6-73.20000112Q292 R293 R298 R299 Q300Q292-C296 WeakPolarHBondContact O-CB 3.25Å; Q292-C296 PolarHBondContact O-N 2.93Å; Q292-C296 PolarHBondContact O-SG 3.12Å; R293-C296 PolarHBondContact O-N 2.81Å; C296-R298 VanDerWaalsContact C-N 3.35Å; C296-R298 PolarHBondContact O-N 2.85Å; C296-R299 PolarHBondContact O-N 2.96Å; C296-Q300 WeakPolarHBondContact O-CB 3.07Å; C296-Q300 VanDerWaalsContact O-CG 3.26Å; C296-Q300 WeakPolarHBondContact O-CG 3.27Å; C296-Q300 PolarHBondContact O-N 2.83Å
297Y90.3Very high86.1Confident68 Ų6862.2 Ų62.227%0.26732%0.318SS..Hα-helixtrans-61.8-41.6174.2176.6-108.8000111.8T111 R113 R293 L294 Q300 L301T111-Y297 HydrophobicContact CG2-CD1 3.88Å; T111-Y297 HydrophobicContact CG2-CE1 3.96Å; R113-Y297 PolarHBondContact NE-OH 2.99Å; R113-Y297 PolarHBondContact NH1-OH 3.43Å; R293-Y297 WeakPolarHBondContact O-CB 3.4Å; R293-Y297 PolarHBondContact O-N 3.2Å; L294-Y297 PolarHBondContact O-N 3.34Å; Y297-Q300 PolarHBondContact O-N 3.44Å; Y297-L301 HydrophobicContact CD1-CD1 4.3Å; Y297-L301 HydrophobicContact CE1-CD1 3.71Å; Y297-L301 HydrophobicContact CE1-CG 4.48Å; Y297-L301 HydrophobicContact CE2-CG 4.49Å; Y297-L301 WeakPolarHBondContact O-CG 3.43Å; Y297-L301 PolarHBondContact O-N 3.28Å; Y297-L301 VanDerWaalsContact O-N 3.13Å
298R90.6Very high83.7Confident22 Ų2265 Ų658%0.08333%0.333CS..Hα-helixtrans-60.6-51172.2177.4-179.6164.6155.42.6112Y110 T111 L294 L295 C296 Q300 L301 E302Y110-R298 HydrophobicContact CD1-CG 3.9Å; Y110-R298 HydrophobicContact CE1-CG 4.33Å; T111-R298 HydrophobicContact CG2-CB 4.18Å; L294-R298 WeakPolarHBondContact O-CB 3.37Å; L294-R298 PolarHBondContact O-N 2.8Å; L295-R298 PolarHBondContact O-N 2.93Å; C296-R298 VanDerWaalsContact C-N 3.35Å; C296-R298 PolarHBondContact O-N 2.85Å; R298-Q300 VanDerWaalsContact C-N 3.25Å; R298-Q300 PolarHBondContact O-N 3.17Å; R298-L301 WeakPolarHBondContact O-CB 3.24Å; R298-L301 PolarHBondContact O-N 3.23Å; R298-L301 VanDerWaalsContact O-N 3.09Å; R298-E302 IonicContact CZ-OE1 2.9Å; R298-E302 VanDerWaalsContact CZ-OE1 3.24Å; R298-E302 IonicContact NE-OE1 2.64Å; R298-E302 PolarHBondContact NE-OE1 2.68Å; R298-E302 IonicContact NH2-OE1 3.61Å; R298-E302 PolarHBondContact NH2-OE1 3.03Å; R298-E302 PolarHBondContact O-N 3.06Å
299R89.9Confident81.1Confident95 Ų9569.5 Ų69.536%0.35835%0.347SS..Hα-helixtrans-59.9-34.7178.7-71.8166.9-179.6151.9-1.6111.7D153 L295 C296 E302 S303D153-R299 PolarHBondContact O-NH1 3.44Å; D153-R299 PolarHBondContact O-NH2 3.2Å; D153-R299 IonicContact OD1-NH2 2.8Å; D153-R299 PolarHBondContact OD1-NH2 2.89Å; L295-R299 WeakPolarHBondContact O-CB 3.32Å; L295-R299 VanDerWaalsContact O-CG 3.24Å; L295-R299 WeakPolarHBondContact O-CG 3.37Å; L295-R299 PolarHBondContact O-N 2.81Å; C296-R299 PolarHBondContact O-N 2.96Å; R299-E302 PolarHBondContact O-N 2.93Å; R299-S303 WeakPolarHBondContact O-CB 3.32Å; R299-S303 PolarHBondContact O-N 3.11Å; R299-S303 PolarHBondContact O-OG 2.95Å
300Q86.6Confident78.4Confident123 Ų12369.1 Ų69.158%0.57535%0.351SS*.Hα-helixtrans-63.1-46172.5-75.9167.5-5.600112C296 Y297 R298 S303 S304C296-Q300 WeakPolarHBondContact O-CB 3.07Å; C296-Q300 VanDerWaalsContact O-CG 3.26Å; C296-Q300 WeakPolarHBondContact O-CG 3.27Å; C296-Q300 PolarHBondContact O-N 2.83Å; Y297-Q300 PolarHBondContact O-N 3.44Å; R298-Q300 VanDerWaalsContact C-N 3.25Å; R298-Q300 PolarHBondContact O-N 3.17Å; Q300-S303 PolarHBondContact O-N 2.87Å; Q300-S304 PolarHBondContact O-N 3.43Å; Q300-S304 PolarHBondContact O-OG 2.78Å
301L83.1Confident75.7Confident56 Ų5675.3 Ų75.329%0.29338%0.379SS..Hα-helixtrans-62.7-42.2175.2-67.9174.2000112.1Y110 T111 Y297 R298 S303 S304 A305Y110-L301 HydrophobicContact CE1-CB 3.88Å; T111-L301 HydrophobicContact CG2-CD1 4.25Å; Y297-L301 HydrophobicContact CD1-CD1 4.3Å; Y297-L301 HydrophobicContact CE1-CD1 3.71Å; Y297-L301 HydrophobicContact CE1-CG 4.48Å; Y297-L301 HydrophobicContact CE2-CG 4.49Å; Y297-L301 WeakPolarHBondContact O-CG 3.43Å; Y297-L301 PolarHBondContact O-N 3.28Å; Y297-L301 VanDerWaalsContact O-N 3.13Å; R298-L301 WeakPolarHBondContact O-CB 3.24Å; R298-L301 PolarHBondContact O-N 3.23Å; R298-L301 VanDerWaalsContact O-N 3.09Å; L301-S303 PolarHBondContact O-N 2.74Å; L301-S304 PolarHBondContact O-N 2.96Å; L301-A305 WeakPolarHBondContact O-CB 3.42Å; L301-A305 PolarHBondContact O-N 2.83Å
302E83Confident72.8Confident50 Ų5078.8 Ų78.823%0.23442%0.415CS..Hα-helixtrans-60.9-41.6175.8-71.4175.4176.500112.2Y110 R298 R299 K306Y110-E302 HydrophobicContact CE1-CG 3.69Å; Y110-E302 HydrophobicContact CE2-CG 4.39Å; Y110-E302 WeakPolarHBondContact OH-CA 3.49Å; Y110-E302 WeakPolarHBondContact OH-CG 3.31Å; R298-E302 IonicContact CZ-OE1 2.9Å; R298-E302 VanDerWaalsContact CZ-OE1 3.24Å; R298-E302 IonicContact NE-OE1 2.64Å; R298-E302 PolarHBondContact NE-OE1 2.68Å; R298-E302 IonicContact NH2-OE1 3.61Å; R298-E302 PolarHBondContact NH2-OE1 3.03Å; R298-E302 PolarHBondContact O-N 3.06Å; R299-E302 PolarHBondContact O-N 2.93Å; E302-K306 WeakPolarHBondContact O-CG 3.5Å; E302-K306 PolarHBondContact O-N 2.83Å
303S78.9Confident69.7Low62 Ų6281.4 Ų81.443%0.43443%0.432SS..Hα-helixtrans-69.7-37.1174.3-67.60000112.6R299 Q300 L301 K306 N307R299-S303 WeakPolarHBondContact O-CB 3.32Å; R299-S303 PolarHBondContact O-N 3.11Å; R299-S303 PolarHBondContact O-OG 2.95Å; Q300-S303 PolarHBondContact O-N 2.87Å; L301-S303 PolarHBondContact O-N 2.74Å; S303-K306 PolarHBondContact O-N 2.79Å; S303-N307 WeakPolarHBondContact O-CB 3.47Å; S303-N307 PolarHBondContact O-N 3.06Å; S303-N307 PolarHBondContact O-OD1 2.81Å
304S73.8Confident67Low67 Ų6779.6 Ų79.647%0.46944%0.438SS..Hα-helixtrans-63.8-41.8174.2-61.50000112Q300 L301 K306 N307 T308Q300-S304 PolarHBondContact O-N 3.43Å; Q300-S304 PolarHBondContact O-OG 2.78Å; L301-S304 PolarHBondContact O-N 2.96Å; S304-K306 VanDerWaalsContact C-N 3.32Å; S304-K306 PolarHBondContact O-N 2.99Å; S304-N307 PolarHBondContact O-N 2.88Å; S304-T308 WeakPolarHBondContact O-CB 3.39Å; S304-T308 PolarHBondContact O-N 2.86Å; S304-T308 PolarHBondContact O-OG1 2.65Å
305A69.7Low64Low43 Ų4382.5 Ų82.536%0.35547%0.472SS..Hα-helixtrans-61.7-40.5175.600000111.6L301L301-A305 WeakPolarHBondContact O-CB 3.42Å; L301-A305 PolarHBondContact O-N 2.83Å
306K64.4Low61.1Low140 Ų14088.4 Ų88.461%0.60951%0.508SS*.Hα-helixtrans-67.3-47.8175-70.5166.9-176.5172.70112.4E302 S303 S304 T308 Y309 S310E302-K306 WeakPolarHBondContact O-CG 3.5Å; E302-K306 PolarHBondContact O-N 2.83Å; S303-K306 PolarHBondContact O-N 2.79Å; S304-K306 VanDerWaalsContact C-N 3.32Å; S304-K306 PolarHBondContact O-N 2.99Å; K306-T308 VanDerWaalsContact C-N 3.31Å; K306-T308 PolarHBondContact O-N 2.89Å; K306-Y309 PolarHBondContact O-N 3.1Å; K306-S310 PolarHBondContact O-N 2.94Å
307N50.7Low58.2Low89 Ų8990.4 Ų90.448%0.47652%0.523SS..Hα-helixtrans-68.9-27.9-176.2-74.111.5000113.5S303 S304 Y309 S310 H311S303-N307 WeakPolarHBondContact O-CB 3.47Å; S303-N307 PolarHBondContact O-N 3.06Å; S303-N307 PolarHBondContact O-OD1 2.81Å; S304-N307 PolarHBondContact O-N 2.88Å; N307-Y309 PolarHBondContact O-N 2.88Å; N307-Y309 VanDerWaalsContact O-N 3.16Å; N307-S310 WeakPolarHBondContact CA-OG 3.38Å; N307-S310 PolarHBondContact O-N 2.98Å; N307-S310 PolarHBondContact O-OG 2.86Å; N307-H311 PolarHBondContact O-N 2.7Å
308T45.3Very low55.4Low109 Ų10994.7 Ų94.767%0.66955%0.55SS*.THydrogen-bonded Turntrans-63-17172-52.60000112.1S304 K306S304-T308 WeakPolarHBondContact O-CB 3.39Å; S304-T308 PolarHBondContact O-N 2.86Å; S304-T308 PolarHBondContact O-OG1 2.65Å; K306-T308 VanDerWaalsContact C-N 3.31Å; K306-T308 PolarHBondContact O-N 2.89Å
309Y40.9Very low52.7Low128 Ų12897.7 Ų97.750%0.50257%0.574SS.*THydrogen-bonded Turntrans-107.1-1.8178.2-83.1-90.3000114.9K306 N307 A906 D907K306-Y309 PolarHBondContact O-N 3.1Å; N307-Y309 PolarHBondContact O-N 2.88Å; N307-Y309 VanDerWaalsContact O-N 3.16Å; Y309-A906 HydrophobicContact CD2-CB 3.85Å; Y309-A906 VanDerWaalsContact CE2-C 3.41Å; Y309-A906 VanDerWaalsContact CE2-CA 3.41Å; Y309-A906 HydrophobicContact CE2-CB 3.66Å; Y309-A906 WeakPolarHBondContact CE2-O 3.45Å; Y309-A906 VanDerWaalsContact CZ-CA 3.48Å; Y309-A906 PolarHBondContact OH-O 2.92Å; Y309-D907 VanDerWaalsContact OH-CA 3.23Å; Y309-D907 WeakPolarHBondContact OH-CA 3.26Å; Y309-D907 PolarHBondContact OH-N 3.27Å
310S37.9Very low50.1Low72 Ų72100.7 Ų100.750%0.50360%0.597SS.*THydrogen-bonded Turntrans-113.4-20.9178.1610000114.9K306 N307 G312K306-S310 PolarHBondContact O-N 2.94Å; N307-S310 WeakPolarHBondContact CA-OG 3.38Å; N307-S310 PolarHBondContact O-N 2.98Å; N307-S310 PolarHBondContact O-OG 2.86Å; S310-G312 PolarHBondContact O-N 3.21Å
311H40.3Very low47.6Very low148 Ų148103.4 Ų103.469%0.68561%0.607SS**THydrogen-bonded Turntrans-8729.2177.8-93.1-55.6000114.8N307N307-H311 PolarHBondContact O-N 2.7Å
312G33.6Very low45.3Very low74 Ų74110.3 Ų110.376%0.76364%0.635SS**THydrogen-bonded Turntrans-76.8-33.4173.400000114S310S310-G312 PolarHBondContact O-N 3.21Å
313D32.6Very low42.9Very low128 Ų128115.4 Ų115.468%0.68466%0.663SS**SBendtrans-131101.7-177.6-91-53.3000110.5
314T35.3Very low41.4Very low113 Ų113118.1 Ų118.169%0.69368%0.679SS**  trans-173.155.8163.49.40000110.9
315G30.3Very low39.8Very low80 Ų80120.3 Ų120.383%0.82569%0.692SS**  trans-104.388-176.800000113.9
316V33.8Very low38.1Very low128 Ų128124 Ų12478%0.77672%0.716SS**  trans-137111.3178.51790000112
317S32.1Very low36.7Very low104 Ų104121.2 Ų121.273%0.72773%0.726SS**  trans60.2156.8150.6-67.20000120.1
318L31.6Very low35.9Very low158 Ų158120.5 Ų120.583%0.82774%0.74SS**  cis-143.9171.6-5.6-125.3162.4000110.1
319S33Very low35.5Very low84 Ų84122.3 Ų122.359%0.58775%0.745SS**  trans-86.5152.6-172.362.30000114.5
320N35.4Very low35.1Very low159 Ų159124.8 Ų124.885%0.8576%0.759SS**  -153.8163.5120.8-121.3-48.9000115.5
321K33.1Very low35Very low179 Ų179128.5 Ų128.578%0.77877%0.772SS**  trans-105.3140.5-166.5-59.2162.6179.7165.60112.9
322K35.6Very low34.5Very low202 Ų202126.5 Ų126.588%0.87878%0.775SS**  173.4166.7117.1-91.9161.7-174177.10112.6
323N32.7Very low34.7Very low157 Ų157127.9 Ų127.984%0.8477%0.77SS**  trans-96.5154.8-161.7-58-15.4000114.4
324P46.9Very low34.8Very low118 Ų118128.3 Ų128.377%0.76677%0.772SS**  trans-81.7-177.4164.237.6-37000111.9
325P40Very low34.7Very low114 Ų114129.3 Ų129.374%0.7477%0.773SS**  -154155113.840-23.3000118.8
326S35Very low35.1Very low121 Ų121134.2 Ų134.285%0.84678%0.775SS**  trans55.1140138.965.30000124
327G35.1Very low35Very low81 Ų81136.6 Ų136.684%0.83578%0.777SS**  trans-169.7-1170.800000123.9
328G34Very low35.2Very low74 Ų74137 Ų13776%0.76378%0.777SS**  trans65.5-171.917100000118.1
329N36.5Very low35.4Very low146 Ų146135.4 Ų135.478%0.78178%0.776SS**  cis-170.2142.3-44.5-1337.3000111.3
330F32.4Very low35.2Very low181 Ų181138.4 Ų138.479%0.79479%0.791SS**  trans66.7153160.2-81.3-138.7000116.8
331I35.1Very low34.9Very low150 Ų150136 Ų13677%0.76979%0.787SS**  cis-148.3163.512.5-112.4148.5000110.8
332S30Very low34.6Very low106 Ų106137.9 Ų137.974%0.74179%0.79SS**  trans-101.6-163.9178.4-49.40000111.8
333P39.1Very low34.4Very low103 Ų103134.3 Ų134.367%0.66979%0.788SS**  cis-145.4-174.61.846.7-26.6000118.7
334D34.8Very low34.2Very low137 Ų137131.4 Ų131.473%0.73379%0.786SS**  trans80.9139.7144.1-67.8-16.5000126
335N32.4Very low33.3Very low134 Ų134134.4 Ų134.472%0.71779%0.792SS**  trans70.499.4155.8-60.6-35.2000121.4
336H38.1Very low32.8Very low183 Ų183135 Ų13585%0.84780%0.795SS**  -173.5-176.5103.6-102.1-71.3000112.9
337E33Very low32.4Very low178 Ų178133.3 Ų133.383%0.83279%0.789SS**  trans-82.7166.8-159.4-85.8178.1109.500117.8
338P36.3Very low32Very low113 Ų113134.7 Ų134.773%0.73479%0.786SS**  trans-97.8176.8-165.141.6-38.9000114.8
339P34.1Very low31.8Very low124 Ų124138.3 Ų138.381%0.80579%0.793SS**  -147.4175.897.339.9-23.5000117
340V29.4Very low31.3Very low147 Ų147142.2 Ų142.289%0.89180%0.796SS**  trans-41.4129-177.3-176.80000117.3
341S30Very low31.1Very low109 Ų109141.7 Ų141.776%0.76280%0.796SS**  trans-156.4160.9148.258.90000111.7
342Y26.9Very low30.7Very low217 Ų217140.5 Ų140.585%0.85179%0.792SS**  trans-80.6150.9-176.8-60.9-85.4000113.4
343P30.6Very low30.6Very low127 Ų127142.3 Ų142.383%0.82579%0.789SS**  trans-137.4177.1136.236.1-22.2000114.5
344A28.6Very low30.1Very low97 Ų97148.2 Ų148.280%0.80280%0.804SS**  trans-89.1-177.3-174.400000114.4
345M26.9Very low29.7Very low181 Ų181149.1 Ų149.189%0.89280%0.802SS**  trans-64.5153.3179.4-56-141.1-54.700113.8
346P29.7Very low29.4Very low125 Ų125150.7 Ų150.781%0.81280%0.802SS**  trans-123.1169.2135.336.9-29.5000112.2
347A27.6Very low28.8Very low86 Ų86147.3 Ų147.371%0.71180%0.799SS**  trans-99.4162.8-174.300000114.1
348S27Very low28.4Very low111 Ų111146.9 Ų146.978%0.77680%0.801SS**  trans51.2106.5155.161.30000119.5
349V28.7Very low28Very low149 Ų149153 Ų15390%0.90381%0.81SS**  trans-125.1144.5143.4179.80000107.7
350R26.6Very low27.7Very low228 Ų228153.3 Ų153.386%0.8681%0.809SS**  trans-94.2-173.9-178.6-74.7178.9169.4153.2-4111.2
351Q28Very low27.6Very low170 Ų170152.9 Ų152.979%0.79480%0.802SS**  trans84.6141.5164.1-46.8-159.7-95.900116.3
352D27.6Very low27.5Very low125 Ų125155.5 Ų155.567%0.66881%0.808SS**  cis-159.9174.5-25.6-106.2-38000108.9
353E28Very low27.4Very low145 Ų145152.4 Ų152.468%0.67881%0.805SS**  trans55.895.3163.1-58.2-130.9114.600119.2
354F27.1Very low27.3Very low227 Ų227152 Ų152100%0.99680%0.803SS**  trans-140.299.2131-134.9-89.3000109.8
355F26Very low27.2Very low156 Ų156152.3 Ų152.368%0.68479%0.794SS**  trans-116.2154.1-160.2-120.5-58.1000113.1
356K26.7Very low27.2Very low167 Ų167147.9 Ų147.973%0.72678%0.781SS**  trans86.6136.5153.5-64.7148.4-172161.40119.3
357S25.4Very low27.1Very low111 Ų111149.8 Ų149.878%0.77678%0.778SS**  trans75.5139.2-179.977.60000115.8
358L25.7Very low27Very low169 Ų169154.6 Ų154.689%0.88578%0.778SS**PPolyproline II helixcis-92.1166.34.7-82.971.2000113.9
359R27.9Very low27Very low241 Ų241155.9 Ų155.991%0.90978%0.775SS**PPolyproline II helixtrans-94.2159.8169.2-78.7179.5170.8157.7-4.3110.8
360V27.4Very low26.7Very low131 Ų131155 Ų15579%0.79477%0.765SS**PPolyproline II helixtrans-63.8134.7162.8-176.20000109.7
361N26.9Very low26.8Very low138 Ų138147.8 Ų147.874%0.73875%0.754SS**  trans166.3115.7137.3-85.5-5.4000109.2
362D28.8Very low26.6Very low165 Ų165148.5 Ų148.588%0.88276%0.764SS**  174.5125.3126.6-87.4-12.6000110.4
363L25.2Very low26.4Very low151 Ų151145 Ų14579%0.79176%0.757SS**  trans-101.3145.1170.7-88.3160.1000108.5V365L363-V365 HydrophobicContact CB-CG2 4.21Å; L363-V365 HydrophobicContact CD2-CG2 4.41Å
364P27Very low26.2Very low120 Ų120142.8 Ų142.878%0.77976%0.756SS**  -133.7139.9101.635.5-25.7000111.7
365V26.3Very low26.1Very low103 Ų103137 Ų13762%0.62474%0.739SS**  7089.851.4-177.10000113L363L363-V365 HydrophobicContact CB-CG2 4.21Å; L363-V365 HydrophobicContact CD2-CG2 4.41Å
366S27.7Very low26Very low87 Ų87133 Ų13361%0.60872%0.722SS**  trans50.8130.3148.668.90000121.6
367H27.3Very low26Very low165 Ų165131.6 Ų131.676%0.76472%0.716SS**  -123.7126.6114.1-93.8-79.5000109.2
368R25.9Very low26.1Very low187 Ų187127.7 Ų127.771%0.70669%0.687SS**  trans-73.4151.2165.8-74.6-173.6-179.9172.8-0.7109.8D370R368-D370 IonicContact NH1-OD2 3.24Å
369I26.8Very low26.3Very low138 Ų138119.9 Ų119.971%0.70865%0.647SS**  trans-125.4102.6149.4-62.2178.3000105.6A371I369-A371 HydrophobicContact CG2-CB 4.17Å; I369-A371 PolarHBondContact O-N 3.37Å
370D23.4Very low26.4Very low130 Ų130109.2 Ų109.270%0.69561%0.609SS**  trans-80108.6170.3-61.1-45.2000107.4R368R368-D370 IonicContact NH1-OD2 3.24Å
371A27.7Very low26.8Very low77 Ų77106.7 Ų106.764%0.63659%0.589SS**  trans-153.3117.3176.400000111.3I369 G373I369-A371 HydrophobicContact CG2-CB 4.17Å; I369-A371 PolarHBondContact O-N 3.37Å; A371-G373 PolarHBondContact O-N 2.67Å
372N23.8Very low27Very low185 Ų185100.3 Ų100.399%0.98955%0.554SS**  trans-69.4112.6172.3-67.6-21.4000109.7
373G24.4Very low27Very low51 Ų5194.6 Ų94.653%0.52652%0.524SS..  trans-175.7140.8175.900000111.1A371 V375A371-G373 PolarHBondContact O-N 2.67Å; G373-V375 PolarHBondContact O-N 2.71Å; G373-V375 VanDerWaalsContact O-N 3.13Å
374P23.5Very low27.1Very low100 Ų10089.1 Ų89.165%0.64950%0.495SS*.  trans-75104.7-172.329.4-34.4000111.5H376P374-H376 PolarHBondContact O-N 2.85Å
375V24Very low27.1Very low106 Ų10686.8 Ų86.864%0.64248%0.475SS*.  trans-77.2104.5171.8-174.20000108.8G373 F377G373-V375 PolarHBondContact O-N 2.71Å; G373-V375 VanDerWaalsContact O-N 3.13Å; V375-F377 HydrophobicContact CB-CE2 3.99Å; V375-F377 HydrophobicContact CG1-CD2 4.17Å; V375-F377 HydrophobicContact CG1-CE2 3.45Å; V375-F377 VanDerWaalsContact CG1-CE2 3.45Å; V375-F377 HydrophobicContact CG1-CZ 3.75Å; V375-F377 WeakPolarHBondContact O-CD2 3.46Å; V375-F377 PolarHBondContact O-N 2.85Å
376H24.7Very low27.1Very low70 Ų7088.7 Ų88.732%0.32448%0.477SS..  trans-59.4118.2178.1-76.7-127.8000111.9P374 Q1080P374-H376 PolarHBondContact O-N 2.85Å; H376-Q1080 PolarHBondContact NE2-NE2 3.3Å
377F25.7Very low27.1Very low139 Ų13994.2 Ų94.261%0.6149%0.485SS*.  trans-113.691.5166-75.1-72.4000110.6V375V375-F377 HydrophobicContact CB-CE2 3.99Å; V375-F377 HydrophobicContact CG1-CD2 4.17Å; V375-F377 HydrophobicContact CG1-CE2 3.45Å; V375-F377 VanDerWaalsContact CG1-CE2 3.45Å; V375-F377 HydrophobicContact CG1-CZ 3.75Å; V375-F377 WeakPolarHBondContact O-CD2 3.46Å; V375-F377 PolarHBondContact O-N 2.85Å
378V28.7Very low26.9Very low28 Ų2894.4 Ų94.417%0.1748%0.483CS..  trans-67144.6-177.1-175.10000111.5Q382 I384V378-Q382 HydrophobicContact CG1-CB 3.7Å; V378-I384 HydrophobicContact CG2-CD1 3.69Å; V378-I384 HydrophobicContact CG2-CG1 4.43Å
379S28.8Very low26.9Very low5 Ų591.3 Ų91.34%0.03549%0.487CS..  trans-40.8137.2170.1179.30000112.5Q381 Q382 K1083S379-Q381 PolarHBondContact O-N 2.89Å; S379-Q382 PolarHBondContact O-N 3.12Å; S379-K1083 PolarHBondContact OG-NZ 2.82Å
380S30.9Very low27Very low17 Ų1794 Ų9412%0.11950%0.497CS..THydrogen-bonded Turntrans-59.63.2-168.4-360000117.5Q382 L1166 L1167S380-Q382 VanDerWaalsContact C-N 3.33Å; S380-L1166 PolarHBondContact OG-O 3.05Å; S380-L1167 WeakPolarHBondContact CB-O 3.1Å; S380-L1167 WeakPolarHBondContact OG-CA 3.39Å; S380-L1167 PolarHBondContact OG-O 3.46Å; S380-L1167 VanDerWaalsContact OG-O 3.05Å
381Q35.6Very low27Very low78 Ų7896.3 Ų96.336%0.36450%0.503SS..THydrogen-bonded Turntrans-81.7-12.2165.9-68.3174-20.400112.5S379 K1083S379-Q381 PolarHBondContact O-N 2.89Å; Q381-K1083 VanDerWaalsContact OE1-CE 3.31Å
382Q32.1Very low27Very low4 Ų4102.7 Ų102.72%0.01952%0.517CS..  trans-142.8122.1-179.5-79.2170.127.100110.1V378 S379 S380 I975 F1027 D1028V378-Q382 HydrophobicContact CG1-CB 3.7Å; S379-Q382 PolarHBondContact O-N 3.12Å; S380-Q382 VanDerWaalsContact C-N 3.33Å; Q382-I975 HydrophobicContact CB-CD1 3.8Å; Q382-I975 HydrophobicContact CB-CG1 4.29Å; Q382-I975 HydrophobicContact CG-CD1 3.93Å; Q382-I975 HydrophobicContact CG-CG1 4.27Å; Q382-F1027 VanDerWaalsContact CD-N 3.26Å; Q382-F1027 HydrophobicContact CG-CB 4.14Å; Q382-F1027 PolarHBondContact NE2-O 3.02Å; Q382-D1028 VanDerWaalsContact NE2-CG 3.32Å; Q382-D1028 PolarHBondContact NE2-OD1 3.47Å
383L27.8Very low27.1Very low45 Ų4598.8 Ų98.824%0.23650%0.502CS..  trans-120.6119.9177.2-129166.8000109.6N874 L919L383-N874 HydrophobicContact CD1-CB 3.96Å; L383-L919 HydrophobicContact CD1-CB 4.28Å; L383-L919 WeakPolarHBondContact CD1-O 3.41Å
384I27.7Very low27Very low37 Ų37102 Ų10219%0.1952%0.516CS..  trans-99.1132.8-180-51.2172.2000107.9V378 I975 P1023 L1024 L1025V378-I384 HydrophobicContact CG2-CD1 3.69Å; V378-I384 HydrophobicContact CG2-CG1 4.43Å; I384-I975 HydrophobicContact CG1-CD1 4.49Å; I384-P1023 HydrophobicContact CG2-CB 3.9Å; I384-L1024 WeakPolarHBondContact CD1-O 3.33Å; I384-L1024 WeakPolarHBondContact CG1-O 3.33Å; I384-L1025 HydrophobicContact CD1-CD2 4.2Å
385I26.8Very low27.2Very low70 Ų70104.1 Ų104.136%0.35953%0.527SS..  trans-116.7102.2175.6-46.4172.9000107.6R387 L919 P936I385-R387 PolarHBondContact O-N 3.38Å; I385-L919 HydrophobicContact CD1-CD1 3.47Å; I385-L919 VanDerWaalsContact CD1-CD1 3.47Å; I385-L919 HydrophobicContact CG1-CD1 4.42Å; I385-P936 HydrophobicContact CD1-CG 3.89Å
386E26.2Very low27.2Very low144 Ų144107.2 Ų107.267%0.67354%0.535SS*.  trans-62.9132.7168.7-66.1-166.6140.900110.4
387R26.5Very low27.3Very low202 Ų202112.1 Ų112.176%0.76256%0.562SS**  trans-93.6115.4162.9-73.9-173.7179.1172.34.3108.8I385I385-R387 PolarHBondContact O-N 3.38Å
388K24.2Very low27.3Very low170 Ų170113.9 Ų113.974%0.73957%0.572SS**PPolyproline II helixtrans-65.7130.5158.9-72.4-171.6174.6-174.70108.9
389P26.6Very low27.3Very low121 Ų121117.5 Ų117.579%0.78660%0.598SS**PPolyproline II helixtrans-82.2125.1172.531.5-31.5000110.3
390E28.3Very low27.3Very low195 Ų195122.2 Ų122.291%0.91163%0.631SS**PPolyproline II helixtrans-89.6132.6168.6-68.1-177.5150.700109.9
391Q23.5Very low27.2Very low178 Ų178129.5 Ų129.583%0.83267%0.668SS**PPolyproline II helixtrans-95.9134.2175.8-64.9177.9-15.600110.2
392F26.6Very low26.8Very low211 Ų211131.2 Ų131.293%0.92569%0.689SS**  trans-164.1162.7148.9-91.6-49.5000109.2
393P26.1Very low26.7Very low104 Ų104137.1 Ų137.168%0.67573%0.729SS**  -118.3158.8-123.640.9-32.9000117.4
394S23.6Very low26.6Very low117 Ų117139.4 Ų139.482%0.81875%0.749SS**  trans38.1103.9140.1-53.80000120.5
395V26.6Very low26.7Very low146 Ų146143.9 Ų143.989%0.88577%0.773SS**  trans-133.7136145.2-178.80000108.8
396Q24.1Very low26.7Very low171 Ų171148.4 Ų148.480%0.79980%0.797SS**  trans-94.4144.4-177.9-58.7168.5-67.800112
397I27.8Very low26.9Very low173 Ų173145.7 Ų145.789%0.88780%0.799SS**  trans-137.2140.6148.4-60.4-175.4000107.6
398Q24.3Very low27.2Very low175 Ų175143 Ų14382%0.81880%0.8SS**  trans-109.9139.9-171.7-59.1171-7500113.3
399S29.4Very low27.3Very low105 Ų105141.9 Ų141.973%0.73480%0.801SS**  trans-175.4104.1149.3540000108.2
400S28Very low27.3Very low103 Ų103141 Ų14172%0.7280%0.798SS**  60.9123.786.273.40000113.2
401L29.8Very low27.4Very low171 Ų171142.5 Ų142.590%0.89580%0.797SS**  cis-138.1170.912-76.697000113
402S27.6Very low27.6Very low114 Ų114140.6 Ų140.680%0.79779%0.792SS**  trans-99.1154.2173.753.20000113.5
403C29.8Very low27.9Very low128 Ų128136.9 Ų136.987%0.86578%0.783SS**  -156.2153128.4-154.90000109.9
404S26.2Very low28.3Very low93 Ų93138.1 Ų138.165%0.6578%0.783SS**  trans-124.9-162.3-177.555.40000111.3
405D29.9Very low28.7Very low131 Ų131139.2 Ų139.270%0.70178%0.779SS**  trans86.2115.3166.6-44-14.2000113
406L25.6Very low28.9Very low164 Ų164137.4 Ų137.486%0.85977%0.769SS**  88.5150.354.1-74.9171.3000113.1
407A31.6Very low29.3Very low88 Ų88137.9 Ų137.973%0.72777%0.768SS**  trans71.8148-172.900000114.7
408D31.4Very low29.6Very low145 Ų145136.3 Ų136.378%0.77576%0.762SS**  cis-156.1179.5-18.6-127.4-44000114
409L27.2Very low29.9Very low146 Ų146132.4 Ų132.476%0.76475%0.753SS**  trans-35.6138.6175-68.7152.7000118.9
410S26.4Very low30Very low104 Ų104133.4 Ų133.473%0.72775%0.75SS**  trans55.5124.9141.965.60000121.5
411Y29.6Very low30Very low226 Ų226136.1 Ų136.189%0.88675%0.751SS**  -157.3147.8120.2-133.2-103.8000111.3
412N28.8Very low29.8Very low137 Ų137134.8 Ų134.873%0.73374%0.743SS**  trans-86.1148.7169.3-68.4-47000109.7
413N33.1Very low29.7Very low134 Ų134133 Ų13372%0.71774%0.736SS**  176.6143.6110-101.330.6000115.5
414D33.1Very low29.7Very low130 Ų130136 Ų13670%0.69574%0.737SS**  trans90.9142.3132.1-83.7-42.1000125.9
415L32.3Very low29.6Very low140 Ų140136.3 Ų136.373%0.73374%0.739SS**  trans84.861.2150-69.8160.9000121.9
416T30.8Very low29.7Very low108 Ų108136.7 Ų136.766%0.66375%0.746SS**  54.7130.4117.563.30000121.7
417K33.2Very low29.6Very low181 Ų181136 Ų13679%0.78774%0.743SS**  -176.9130.693.4-97.3177.8-176.5175.30114.2
418N32.9Very low29.5Very low140 Ų140137.6 Ų137.675%0.74974%0.744SS**  trans53.2139143.2-61.733.2000120.4
419C30.4Very low29.2Very low93 Ų93137.2 Ų137.263%0.62874%0.742SS**  cis-163.6145.1-4.8-113.60000111.3
420N31.3Very low29.2Very low125 Ų125140.6 Ų140.667%0.66875%0.746SS**  trans64.2118.3152.9-56.933.1000117.8
421E28.5Very low29.1Very low161 Ų161142.9 Ų142.975%0.75275%0.748SS**  79.9143.452-71.4-175.6152.300113.9
422I26.1Very low29Very low143 Ų143137.7 Ų137.773%0.73375%0.745SS**  cis-166.7166-22-120.9171.7000106.5
423A26Very low28.8Very low77 Ų77140.5 Ų140.564%0.63675%0.754SS**  trans65.4160.816500000116.9
424E29.4Very low28.5Very low189 Ų189138 Ų13888%0.88376%0.76SS**  cis-147.6170.6-8.1-131.9149.3-137.100110.8
425S24.6Very low28.1Very low100 Ų100142.5 Ų142.570%0.69977%0.767SS**  trans-99.5142.2177.155.30000112.6
426T30.4Very low27.7Very low139 Ų139143.4 Ų143.485%0.85377%0.768SS**  trans-170.4154.4130.124.70000113.9
427D25.3Very low27.4Very low149 Ų149146.1 Ų146.180%0.79778%0.776SS**  trans-56.2-175.9-178-62.2-82.9000120.9
428V28Very low27.1Very low123 Ų123142 Ų14275%0.74578%0.776SS**  trans102.1112.1151.8-164.80000118.2
429N25.4Very low26.9Very low136 Ų136142.7 Ų142.773%0.72778%0.778SS**  trans-3.8138.5147.5-49.8-42.7000117.3
430Y27.5Very low26.8Very low217 Ų217145 Ų14585%0.85178%0.784SS**  -164176.678.3-121.7-92.8000115.5
431I24.5Very low26.8Very low152 Ų152145.7 Ų145.778%0.77979%0.788SS**  trans-85135.7179.8-59.8158.6000112
432S27.5Very low26.8Very low118 Ų118143.6 Ų143.683%0.82578%0.782SS**  trans-165.8171.3146.354.50000112.4
433Q25.5Very low27.1Very low196 Ų196143 Ų14392%0.91678%0.78SS**  trans-108.4150.6-174.1-56.8168.40.100110.4
434G25.3Very low27.4Very low81 Ų81145.2 Ų145.284%0.83578%0.781SS**  trans-172.4135.3173.900000114.4
435R24.9Very low27.4Very low225 Ų225142.5 Ų142.585%0.84977%0.772SS**  trans-77.2157.3-179.4-88.4178163.3126.8-1.9113.6
436E24Very low27.8Very low159 Ų159143.2 Ų143.274%0.74377%0.772SS**  trans30.4130140-60.3170.597.400120.3
437I25.1Very low27.9Very low164 Ų164145.6 Ų145.684%0.84177%0.766SS**  -158.5142.4114.5-99.1149.9000108.7I439I437-I439 HydrophobicContact CG2-CG1 4.42Å
438A26.2Very low28.1Very low94 Ų94144.3 Ų144.378%0.77775%0.753SS**  trans-97.5141.4174.700000110.8
439I29.3Very low28.4Very low156 Ų156143.1 Ų143.180%0.874%0.742SS**  trans-118.6112.4171.1-60.1-179.6000108.5I437I437-I439 HydrophobicContact CG2-CG1 4.42Å
440N28.4Very low28.7Very low140 Ų140147 Ų14775%0.74975%0.748SS**  trans-76.7153.2170.9-81.2-38.1000111
441N31.1Very low28.9Very low141 Ų141140.7 Ų140.775%0.75474%0.742SS**  trans-158.8113.5132.5-96.8-40.2000110.7
442N28Very low29.7Very low116 Ų116138.1 Ų138.162%0.6274%0.735SS**  41.2134.3116.7-59.7-2.4000118.4
443D33.1Very low30.1Very low130 Ų130139.3 Ų139.370%0.69573%0.732SS**  cis-150.512123.5-99.8-43.3000116.1
444N31.3Very low30.2Very low124 Ų124136.5 Ų136.566%0.66372%0.722SS**  64.5143.1107.2-93.3-46.6000126.9
445L30.1Very low30.4Very low133 Ų133139 Ų13970%0.69672%0.721SS**  trans89.289.3139.5-68.9163.6000124
446T32.6Very low30.5Very low115 Ų115134 Ų13471%0.70672%0.715SS**  55.9168.5106.762.40000123.4
447R33.3Very low30.7Very low188 Ų188132.8 Ų132.871%0.70972%0.719SS**  cis172.7158.9-22.8178.1-179.1178177.87.2108.6N449R447-N449 WeakPolarHBondContact CG-OD1 3.31Å; R447-N449 PolarHBondContact NE-OD1 2.98Å
448K29.6Very low30.9Very low122 Ų122128.8 Ų128.853%0.5371%0.71SS.*  trans172.1125.3140.6-94.3164.8-169.2-173.20108.2
449N33.1Very low31Very low98 Ų98132.4 Ų132.452%0.52472%0.717SS.*  cis96.9130.837.2-78.113.4000112.9R447R447-N449 WeakPolarHBondContact CG-OD1 3.31Å; R447-N449 PolarHBondContact NE-OD1 2.98Å
450Y32.2Very low30.9Very low217 Ų217128.8 Ų128.885%0.85172%0.718SS**  -18089.3124.7-98.4-69.6000112.8
451A31.3Very low30.8Very low86 Ų86132.3 Ų132.371%0.71173%0.727SS**  32.2171.3110.200000122.1
452P42.2Very low30.6Very low98 Ų98132.4 Ų132.464%0.63673%0.732SS**  cis-145.2-172.2-48.842.5-24.6000114.6
453D35.1Very low30.4Very low143 Ų143135 Ų13577%0.76574%0.738SS**  trans170.4132132.4-83.4-16.9000108.4
454I28.2Very low30.2Very low136 Ų136136.6 Ų136.670%0.69774%0.741SS**  cis87.712136.8-59.1172.7000110.9
455T30.3Very low29.9Very low135 Ų135134.2 Ų134.283%0.82873%0.734SS**  -153.4-177.968.9-39.60000113.3
456V26Very low29.8Very low119 Ų119136.7 Ų136.772%0.72174%0.742SS**  trans-144.3173.7-159.1-174.30000112.3
457T29.3Very low29.5Very low133 Ų133135.3 Ų135.382%0.81674%0.737SS**  trans88.2152.8162.670.90000118.8
458A27.5Very low29.3Very low80 Ų80132.4 Ų132.466%0.66174%0.735SS**  cis-170162.3-29.400000112.2
459N28.4Very low29.1Very low171 Ų171133.7 Ų133.791%0.91475%0.747SS**  trans52.5136.5155.5-63.9-6.6000122.3
460G28.6Very low28.7Very low80 Ų80134.7 Ų134.783%0.82576%0.762SS**  trans163.910316300000115.6
461F25.2Very low28.5Very low213 Ų213129.2 Ų129.293%0.93476%0.756SS**  trans-91.2144.2163.5-105.1-100.8000109.5
462V27.1Very low28.3Very low143 Ų143133.8 Ų133.887%0.86776%0.762SS**  trans178.9164.4130.5146.10000110.6
463K24.8Very low27.8Very low171 Ų171133.5 Ų133.574%0.74376%0.763SS**  trans-81.9179.8-169.7-56.9170.3179.6175.90114.3
464H29Very low27.7Very low163 Ų163133.3 Ų133.376%0.75576%0.761SS**  trans77.5151.2157-67.6-70.8000116.9
465S25Very low27.9Very low75 Ų75133.6 Ų133.652%0.52476%0.764SS.*  cis167.6142.8-41.448.60000106.5
466Q27.1Very low28Very low185 Ų185131 Ų13186%0.86476%0.757SS**  trans65.4157.1179.9-63.7166.2-4600112.8
467S26.2Very low28.3Very low85 Ų85132.9 Ų132.959%0.59476%0.758SS**  cis-162.7-175.3-22470000109.4
468D28.7Very low28.5Very low127 Ų127134.9 Ų134.968%0.67976%0.758SS**  trans67.2105.2149.8-52.3-38.2000121.6
469L25.8Very low28.5Very low150 Ų150140.5 Ų140.579%0.78577%0.771SS**  46.8115.1114.4-66161.3000120
470S25.1Very low28.5Very low118 Ų118137.1 Ų137.183%0.82577%0.766SS**  trans71164149.8900000115.6
471S27.3Very low28.5Very low103 Ų103139.6 Ų139.672%0.7277%0.765SS**  cis-147.5-177.10.557.80000110.8
472Q27.9Very low28.8Very low182 Ų182137.6 Ų137.685%0.8576%0.762SS**  trans-23.2141.3167.1-52.1166.1-1000114.9
473S31Very low28.9Very low92 Ų92140.7 Ų140.764%0.64376%0.758SS**  174.4165.55954.10000111.5
474N32.7Very low29.1Very low138 Ų138138.4 Ų138.474%0.73876%0.761SS**  trans52.6139.5144.4-59-13.7000120.6
475N33.4Very low29.2Very low142 Ų142138.5 Ų138.576%0.75977%0.766SS**  cis-158.4163.65.9-131.4-26.8000112.2
476A31Very low29.4Very low82 Ų82142.1 Ų142.168%0.67878%0.779SS**  trans12.6137.1160.800000120.2
477Q33.9Very low29.9Very low158 Ų158139.9 Ų139.974%0.73878%0.781SS**  -164.6148.861.9-86.5-170.81.700115.7
478Q32.1Very low30Very low174 Ų174140 Ų14081%0.81379%0.787SS**  trans71.6152.2148.9-67.4177.85500120.6
479Q27.9Very low30.3Very low199 Ų199144.1 Ų144.193%0.9380%0.799SS**  trans-116.1145.7-169-59.7161.5-21.500110.3
480A29.7Very low30.4Very low100 Ų100142.7 Ų142.783%0.82680%0.801SS**  trans-147.9125.216400000112.5
481V26.8Very low30.9Very low131 Ų131142.8 Ų142.879%0.79480%0.802SS**  trans-74.3141.3177.7174.10000111R483V481-R483 HydrophobicContact CG1-CG 4.22Å
482I32.7Very low30.9Very low171 Ų171148.8 Ų148.888%0.87781%0.809SS**  trans-114108.7162.1-63.9172.7000109.2
483R28.3Very low31.2Very low208 Ų208148.5 Ų148.579%0.78581%0.807SS**  trans-97.2154.3165.5-89.2-173174.1-172.20.1109.9V481V481-R483 HydrophobicContact CG1-CG 4.22Å
484P30.6Very low31Very low124 Ų124148.6 Ų148.681%0.80581%0.808SS**  trans-69.5142.217030.9-34.9000110.8
485L31Very low30.9Very low164 Ų164147.4 Ų147.486%0.85981%0.81SS**  trans-138.2141.7177.4-81.2172.3000112
486L28.3Very low30.7Very low152 Ų152145.5 Ų145.580%0.79680%0.803SS**  trans-80152.5174.5-64.384000111.1A488L486-A488 PolarHBondContact O-N 2.84Å
487P36.8Very low30.7Very low138 Ų138150.3 Ų150.390%0.89681%0.809SS**  trans-77.5100.6157.332.2-30.3000109.9
488A28.1Very low30.6Very low88 Ų88148.8 Ų148.873%0.72781%0.806SS**  trans-125.4108.5165.300000109.3L486L486-A488 PolarHBondContact O-N 2.84Å
489K35.3Very low30.6Very low213 Ų213145.9 Ų145.993%0.92680%0.796SS**  trans-138.6127168.9-79.2-167.7174.3-177.90110.1
490S28.6Very low30.9Very low119 Ų119142.8 Ų142.883%0.83279%0.786SS**  trans-87146.717151.50000110.7
491S35.8Very low31.2Very low120 Ų120142.1 Ų142.184%0.83978%0.775SS**  trans-129.6129155.447.20000108.2
492R26.7Very low31.6Very low230 Ų230142 Ų14287%0.86877%0.77SS**  trans-79.1150.2172.9-61.2167.5175.3159.4-4.5108
493H34.8Very low31.8Very low175 Ų175141.4 Ų141.481%0.8176%0.763SS**  -173.5140.5121.9-104.5-74.4000112.4
494S27.7Very low32.1Very low95 Ų95135.6 Ų135.666%0.66476%0.755SS**  trans-16.6151.2145.553.10000116.5
495S30Very low32.4Very low112 Ų112135.1 Ų135.178%0.78375%0.749SS**  cis-163.3-177.829.986.40000110.4
496V28.6Very low32.6Very low102 Ų102134 Ų13462%0.61874%0.744SS**  cis-176.4159.6-27.8138.10000107.4
497F32.1Very low32.9Very low183 Ų183131 Ų13180%0.80374%0.736SS**  trans70.1153.2172.1-64.9-35.3000118.3
498N30.5Very low32.8Very low127 Ų127129.6 Ų129.668%0.67973%0.725SS**  cis-167.8169.3-40.5-120.730.6000111.3
499N32.5Very low33.1Very low113 Ų113132.3 Ų132.360%0.60473%0.727SS**  trans71.5124.3147.8-79.649.8000122.5
500D35Very low33Very low134 Ų134126.7 Ų126.772%0.71772%0.715SS**  77.1139.8127.4-55.5-9.1000122
501S35.1Very low33.2Very low86 Ų86129.5 Ų129.560%0.60171%0.713SS**  cis-167.2164.2-17.357.70000113.2
502N34.4Very low33.1Very low129 Ų129128.9 Ų128.969%0.6970%0.7SS**  trans78.2131.6140.2-72.4-8.7000124.9
503H38.8Very low33.6Very low157 Ų157125 Ų12573%0.72769%0.691SS**  trans61.5124146.7-62.9-53.7000120.2
504S32.9Very low33.5Very low87 Ų87122.8 Ų122.861%0.60869%0.685SS**  cis7914645.779.20000113.9
505V37Very low33.9Very low113 Ų113124.5 Ų124.569%0.68569%0.687SS**  cis-153.5169.619.5-137.30000111.1
506D35.3Very low34Very low140 Ų140125.5 Ų125.575%0.74968%0.684SS**  trans63.4167.3145.5-75.3-41.5000120.9
507S34.8Very low34.3Very low91 Ų91129.4 Ų129.464%0.63670%0.698SS**  cis-179169.4-36.1-93.60000106.8
508T35.8Very low34.2Very low107 Ų107124.9 Ų124.966%0.65669%0.694SS**  cis-163.2172.63.75.60000108.8
509N34.1Very low34.5Very low145 Ų145123.9 Ų123.978%0.77569%0.694SS**  trans45.7146.9138.4-62.7-10000122.1
510S33.4Very low34.3Very low95 Ų95125.5 Ų125.566%0.66470%0.702SS**  cis-178.8157.5441.40000113.1
511F32.8Very low34.1Very low179 Ų179126.7 Ų126.779%0.78571%0.707SS**  trans74.7107.5138.4-88.2-128.3000122.7
512N33.3Very low33.8Very low107 Ų107127.1 Ų127.157%0.57271%0.71SS**  84.9127.3112.4-78.215.6000124.5
513Q36.2Very low33.6Very low147 Ų147128.8 Ų128.869%0.68772%0.717SS**  88.8109.2129.7-75.1178.21000121.4
514N32.7Very low33.3Very low129 Ų129124.4 Ų124.469%0.6972%0.715SS**  100.1135.3117.4-71.34.7000121.7
515N36.1Very low33.4Very low131 Ų131125.4 Ų125.470%0.70172%0.721SS**  trans77.5108.5148.7-62.414.3000121.3
516D33.3Very low33.3Very low133 Ų133125.2 Ų125.271%0.71172%0.72SS**  67.7122.4121.1-54.5-40.6000123.4
517M33.9Very low33.4Very low185 Ų185124.4 Ų124.491%0.91172%0.716SS**  trans63138.9139.9-68.7-64.4-175.400122.5
518A29.9Very low33.5Very low87 Ų87126.1 Ų126.172%0.71972%0.718SS**  trans-61.4175.3175.800000113.9
519P36.9Very low33.5Very low107 Ų107127.8 Ų127.870%0.69572%0.723SS**  cis-150179.522.444.9-24.4000119.7
520L27.7Very low33.6Very low147 Ų147125.1 Ų125.177%0.7772%0.716SS**  trans55.8138.4142.9-79.2165.4000123
521I32.4Very low33.7Very low158 Ų158127 Ų12781%0.8172%0.719SS**  trans73.8148.8151.4-65.2160.4000116.7
522S29.2Very low34Very low95 Ų95125.4 Ų125.466%0.66472%0.717SS**  cis-176.7170.1-32.3-167.70000110.4
523I30.3Very low34.1Very low165 Ų165126.9 Ų126.985%0.84673%0.725SS**  trans73.7137.9161.7-42.3-177.7000119.9
524G32.4Very low34.2Very low65 Ų65123.9 Ų123.967%0.6772%0.72SS**  trans130.9107161.700000113.1
525S34.7Very low34.3Very low107 Ų107124.7 Ų124.775%0.74872%0.724SS**  84.7135.954-630000113.4
526T33.7Very low34.4Very low109 Ų109122.9 Ų122.967%0.66972%0.722SS**  cis-162.4-171.7-2.521.60000110.3
527D37.1Very low34.5Very low123 Ų123122.2 Ų122.266%0.65872%0.718SS**  trans82.7141.6152-49.2-59.8000119.3
528N36.9Very low34.6Very low127 Ų127121.8 Ų121.868%0.67971%0.711SS**  cis-161.6168.5-18.3-111.5-29.4000113.7
529N37Very low34.7Very low143 Ų143122.4 Ų122.477%0.76571%0.71SS**  trans76.4147.7162-63.2-14.8000120.1
530S36.4Very low34.3Very low88 Ų88122.8 Ų122.862%0.61572%0.715SS**  cis173.6133.7-36.548.50000109.5
531N35.8Very low34.4Very low136 Ų136120.3 Ų120.373%0.72772%0.716SS**  trans146.3115.5149.2-77.4-8.8000112.3
532I37.6Very low34.1Very low145 Ų145119.9 Ų119.974%0.74471%0.714SS**  73.9122.993.6-67.9168.3000111.3
533N36.4Very low34.1Very low138 Ų138122.2 Ų122.274%0.73872%0.724SS**  cis-154.6163.624.5-144.3-4.8000115
534S36.9Very low33.8Very low84 Ų84121 Ų12159%0.58772%0.718SS**  trans32.6142.6144.264.80000122.3
535N36.4Very low33.6Very low146 Ų146123.9 Ų123.978%0.78172%0.723SS**  cis-168.3153.416.7-126.23.8000113.7
536S36.8Very low33.3Very low93 Ų93124.1 Ų124.165%0.6572%0.72SS**  trans49.8140.714566.90000121.9
537D36.4Very low32.9Very low118 Ų118125.8 Ų125.863%0.63173%0.725SS**  cis-168154.12.5-127.94.1000113.9
538K35.9Very low32.6Very low177 Ų177126.3 Ų126.377%0.7773%0.728SS**  trans62.4150.8153.7-65.4159.7179.41280119.4
539S32Very low32.3Very low99 Ų99127.6 Ų127.669%0.69273%0.734SS**  cis-176.6130.1-21.449.70000107.1
540S28Very low31.9Very low115 Ų115128.5 Ų128.580%0.80474%0.739SS**  cis110.786.826.668.30000113.8
541A30.7Very low31.7Very low95 Ų95133.9 Ų133.979%0.78575%0.752SS**  trans178.8133.6157.600000107.6
542I25.5Very low31.3Very low150 Ų150136.6 Ų136.677%0.76976%0.76SS**  cis74.5103.711-48.2-179000116.1
543T29.1Very low30.8Very low144 Ų144139.1 Ų139.188%0.88377%0.765SS**  trans-158.3154.3140.1-74.40000108
544I25.1Very low30.3Very low138 Ų138138.1 Ų138.171%0.70877%0.766SS**  trans-130.2142.5-169-54.7157.8000108.5
545T26.2Very low29.8Very low126 Ų126139.2 Ų139.277%0.77377%0.774SS**  165.4145.6127.937.10000116.4
546T28.8Very low29.4Very low113 Ų113142.1 Ų142.169%0.69377%0.774SS**  trans57.3104.2148.352.10000123.2
547N26.5Very low28.8Very low143 Ų143143.3 Ų143.377%0.76578%0.78SS**  68.2151.3116.5-68.313.4000123.6
548N29.6Very low28.4Very low135 Ų135143 Ų14372%0.72279%0.785SS**  trans65.491.1161.1-60.60.8000117.9
549N31Very low28.3Very low153 Ų153137.5 Ų137.582%0.81877%0.768SS**  178.7154.399.8-86.4-22.7000111.9K551N549-K551 PolarHBondContact O-N 3.06Å
550D28.2Very low28.5Very low163 Ų163136.3 Ų136.387%0.87276%0.758SS**  trans-59.6130177.2-72.9-73.7000112.7
551K31.9Very low29.4Very low201 Ų201134.3 Ų134.387%0.87474%0.737SS**  trans-131.8119.7159.7-73.7-167.7175.3-178.90109.8N549 K553N549-K551 PolarHBondContact O-N 3.06Å; K551-K553 PolarHBondContact O-N 3.17Å
552Q28.5Very low30.5Very low193 Ų193131.4 Ų131.490%0.90271%0.708SS**PPolyproline II helixtrans-55.5133.6178.8-67.2172.5-11.300110.3
553K27.1Very low31.3Very low197 Ų197132 Ų13286%0.85770%0.701SS**PPolyproline II helixtrans-69.7122.5174.7-157.4169.7-162.2159.70107.4K551 S555K551-K553 PolarHBondContact O-N 3.17Å; K553-S555 PolarHBondContact O-N 2.78Å
554P26Very low31.6Very low117 Ų117129 Ų12976%0.7668%0.679SS**PPolyproline II helixtrans-58.6133.5-175.922.7-33000109.9
555S25.4Very low31.7Very low107 Ų107128 Ų12875%0.74868%0.675SS**PPolyproline II helixtrans-53.7142.6165.241.80000108.5K553K553-S555 PolarHBondContact O-N 2.78Å
556R27.9Very low31.7Very low208 Ų208128.1 Ų128.179%0.78568%0.678SS**PPolyproline II helixtrans-61.4131166.3-84.3-174167.7-168.7-4.8106.8C558R556-C558 PolarHBondContact O-N 3.31Å
557P25.8Very low31.6Very low118 Ų118126.5 Ų126.577%0.76667%0.671SS**PPolyproline II helixtrans-56.9141.4165.426.6-33.4000108
558C27.2Very low31.8Very low110 Ų110130.4 Ų130.474%0.74368%0.675SS**PPolyproline II helixtrans-54.7144.7166.4-65.30000108.6R556R556-C558 PolarHBondContact O-N 3.31Å
559P33.2Very low31.7Very low62 Ų62131.7 Ų131.740%0.40368%0.681SS.*PPolyproline II helixtrans-55.4139.5171.126.3-33.8000108.7I561 L912P559-I561 PolarHBondContact O-N 2.85Å; P559-L912 HydrophobicContact CB-CB 4.36Å
560P37.6Very low31.3Very low74 Ų74128.8 Ų128.848%0.48167%0.673SS.*PPolyproline II helixtrans-59.9116.4179.824.5-34.1000109.6L912P560-L912 HydrophobicContact CG-CD2 3.87Å
561I46.7Very low31.2Very low74 Ų74128.8 Ų128.838%0.37967%0.673SS.*EExtended strand (participates in β ladder)trans-93.5114.7169.9-57.2173.4000105.7P559 R563 T909P559-I561 PolarHBondContact O-N 2.85Å; I561-R563 HydrophobicContact CG2-CG 3.78Å; I561-R563 PolarHBondContact O-N 3.01Å; I561-T909 HydrophobicContact CG2-CG2 3.77Å
562I52.1Low31Very low34 Ų34126.6 Ų126.617%0.17467%0.669CS.*EExtended strand (participates in β ladder)trans-82.7104.6172.9-61.5178.1000106.5F866 P870 L871 Y898 T909 L910I562-F866 HydrophobicContact CG2-CZ 4.17Å; I562-P870 HydrophobicContact CD1-CG 4.13Å; I562-P870 HydrophobicContact CG2-CG 4.19Å; I562-L871 HydrophobicContact CD1-CD1 3.72Å; I562-L871 HydrophobicContact CD1-CD2 3.68Å; I562-L871 HydrophobicContact CD1-CG 3.58Å; I562-Y898 HydrophobicContact CD1-CE1 4.14Å; I562-Y898 HydrophobicContact CG1-CE1 4.46Å; I562-T909 WeakPolarHBondContact O-CA 3.4Å; I562-L910 HydrophobicContact CB-CB 4.49Å; I562-L910 PolarHBondContact N-O 3.42Å; I562-L910 PolarHBondContact O-N 2.7Å
563R42.3Very low30.8Very low161 Ų161125.6 Ų125.661%0.60867%0.67SS**EExtended strand (participates in β ladder)trans-96.3142.9173.2-59.8-165.3155.2-177.9-11.7109.3I561 N565 T909I561-R563 HydrophobicContact CG2-CG 3.78Å; I561-R563 PolarHBondContact O-N 3.01Å; R563-N565 PolarHBondContact O-N 3.37Å; R563-T909 HydrophobicContact CB-CG2 4.46Å; R563-T909 HydrophobicContact CG-CG2 3.78Å
564L36.4Very low30.8Very low82 Ų82121.1 Ų121.143%0.42966%0.663SS.*  trans-53.8134.1156.5-69.3168.9000108.7P566 F866 E867L564-P566 VanDerWaalsContact O-CD 3.31Å; L564-P566 WeakPolarHBondContact O-CD 3.46Å; L564-F866 HydrophobicContact CD2-CE1 4.46Å; L564-E867 HydrophobicContact CD2-CB 4.01Å; L564-E867 WeakPolarHBondContact CD2-O 3.31Å
565N27.5Very low31Very low117 Ų117122.3 Ų122.363%0.62667%0.669SS**  trans-89.2110175.8-177.113.1000108.5R563 S567R563-N565 PolarHBondContact O-N 3.37Å; N565-S567 PolarHBondContact ND2-OG 2.87Å; N565-S567 PolarHBondContact O-N 3.4Å; N565-S567 PolarHBondContact OD1-OG 3.46Å
566P26.7Very low31Very low129 Ų129124.2 Ų124.284%0.83867%0.67SS**SBendtrans-71.110.8-171-18.133.5000114.9L564L564-P566 VanDerWaalsContact O-CD 3.31Å; L564-P566 WeakPolarHBondContact O-CD 3.46Å
567S26.5Very low31Very low79 Ų79123 Ų12355%0.55267%0.673SS**  trans-120.862.8-167.957.70000112.2N565N565-S567 PolarHBondContact ND2-OG 2.87Å; N565-S567 PolarHBondContact O-N 3.4Å; N565-S567 PolarHBondContact OD1-OG 3.46Å
568R29.3Very low31.2Very low225 Ų225124.4 Ų124.485%0.84967%0.673SS**  trans-151.6-8.3163.9-113169.4-162.4-151.70.4116.5S570R568-S570 PolarHBondContact O-N 3.28Å
569L27.5Very low31.2Very low161 Ų161123.3 Ų123.384%0.84367%0.667SS**  trans-7472.4163.2-80.8158.7000109.7
570S23.8Very low31Very low92 Ų92129.2 Ų129.264%0.64369%0.689SS**  trans-158.560.2179.766.40000111.3R568R568-S570 PolarHBondContact O-N 3.28Å
571N25.4Very low30.6Very low163 Ų163135 Ų13587%0.87271%0.709SS**  trans-161.745.5175.2-112.31.2000114.8
572I27.1Very low29.6Very low155 Ų155137.2 Ų137.280%0.79573%0.727SS**  trans-135.4121.9152.1-73.296.6000105.9
573N24.7Very low28.2Very low173 Ų173142.7 Ų142.793%0.92576%0.756SS**  trans-157.479.3173.8-121.7-11.7000111.8
574S28.1Very low27.4Very low102 Ų102140.5 Ų140.571%0.71377%0.765SS**  trans-165.1128.2171.450.90000104.8
575V28.9Very low26.9Very low143 Ų143143.4 Ų143.487%0.86778%0.78SS**  cis-129.7163.130.4176.60000111
576N26.2Very low26.8Very low146 Ų146143.4 Ų143.478%0.78178%0.784SS**  trans-110.7177-178.9-112.7-5.6000111.8
577E27.4Very low26.7Very low182 Ų182146 Ų14685%0.8579%0.785SS**  trans77.1141.6172.6-42.3-172.5163.600113.3
578I30.2Very low26.6Very low148 Ų148149.2 Ų149.276%0.75980%0.796SS**  cis-138.214828.6-74171.2000112.1
579S28.8Very low26.6Very low88 Ų88146.5 Ų146.562%0.61579%0.793SS**  trans10.8133.7165630000121.4
580E27.4Very low26.5Very low186 Ų186146.3 Ų146.387%0.86979%0.792SS**  59.9140.577.2-56.9175.3154.900113.1
581E29Very low26.5Very low194 Ų194151.9 Ų151.991%0.90781%0.805SS**  cis-133.4-170.938.2-60.518011100115.3
582T25.8Very low26.5Very low121 Ų121148.5 Ų148.574%0.74280%0.799SS**  trans-129.6161.7-162.750.90000115.7
583D23.5Very low26.4Very low149 Ų149149.2 Ų149.280%0.79781%0.805SS**  trans60.7126.7154.1-64.1-22.7000121.7
584C25.2Very low26.5Very low116 Ų116152 Ų15278%0.78480%0.802SS**  -179.4134110.2-101.30000115.7
585L26.9Very low26.3Very low143 Ų143155.2 Ų155.275%0.74981%0.81SS**  trans63.696.5139.2-60.6173.7000121.9
586T25.1Very low26.2Very low117 Ų117156.6 Ų156.672%0.71881%0.812SS**  49.9130.3120.856.70000122.9
587E24.1Very low26.4Very low182 Ų182158.6 Ų158.685%0.8582%0.816SS**  trans59.389.3150.1-63.6-169.5169.500118.5
588N25.3Very low26.5Very low147 Ų147156.4 Ų156.479%0.78681%0.809SS**  -167.2177.6112.6-107.2-75.7000111.3
589H28Very low26.7Very low168 Ų168151.8 Ų151.878%0.77879%0.79SS**  trans74.191175.1-59.5-74.5000118.1
590L25Very low27.1Very low157 Ų157152.7 Ų152.782%0.82280%0.796SS**  trans-49.9159137.3-74.965.9000109.9
591F24.4Very low27.7Very low210 Ų210147.8 Ų147.892%0.92177%0.773SS**  trans8945-172.5-66.1-92.4000117.3
592A25.7Very low28.2Very low92 Ų92142.9 Ų142.976%0.7675%0.753SS**  trans-122.6-12.3160.900000114.5R594A592-R594 VanDerWaalsContact C-N 3.29Å; A592-R594 PolarHBondContact O-N 2.94Å
593D25.5Very low28.8Very low169 Ų169142.3 Ų142.390%0.90475%0.745SS**THydrogen-bonded Turntrans-86.448.8-160.7-148.216.7000113.8
594R25.6Very low29.6Very low233 Ų233138 Ų13888%0.87972%0.721SS**THydrogen-bonded Turntrans-142.65.5-167.9-87.8-165.6173.8-163.7-2.4118.4A592A592-R594 VanDerWaalsContact C-N 3.29Å; A592-R594 PolarHBondContact O-N 2.94Å
595L25.4Very low30.7Very low168 Ų168133.8 Ų133.888%0.8869%0.694SS**SBendtrans-129.916.8-174.8-81.9173.1000116.7
596L26.7Very low31.6Very low173 Ų173133.9 Ų133.991%0.90669%0.69SS**SBendtrans-114.223.1173.3-69.2175.2000113.9
597H28.9Very low32.4Very low187 Ų187132.3 Ų132.387%0.86668%0.68SS**  trans-120.777.6175.5-73.1-33.4000112.1
598I30.7Very low33.4Very low137 Ų137126.6 Ų126.670%0.70365%0.654SS**  trans-109.7116.3146.8-62.2176.8000104.9D602I598-D602 HydrophobicContact CG2-CB 4.27Å
599S34.4Very low34.4Very low50 Ų50121.2 Ų121.235%0.3563%0.625SS.*  trans-74.7157178.580.10000110.3E601 D602S599-E601 PolarHBondContact O-N 3.23Å; S599-E601 PolarHBondContact OG-N 3.18Å; S599-E601 VanDerWaalsContact OG-N 3.15Å; S599-D602 VanDerWaalsContact CB-OD2 3.26Å; S599-D602 WeakPolarHBondContact CB-OD2 3.41Å; S599-D602 PolarHBondContact N-OD2 2.84Å; S599-D602 VanDerWaalsContact N-OD2 3.11Å; S599-D602 PolarHBondContact O-N 3.25Å; S599-D602 VanDerWaalsContact O-N 3.15Å; S599-D602 PolarHBondContact OG-N 3.46Å; S599-D602 PolarHBondContact OG-OD2 3.34Å
600S37.4Very low35.2Very low107 Ų107115.1 Ų115.175%0.74861%0.605SS**Hα-helixtrans-62.6-9170.156.50000113.3L604S600-L604 WeakPolarHBondContact O-CB 3.5Å
601E38.8Very low35.8Very low84 Ų84112.8 Ų112.839%0.39359%0.588SS.*Hα-helixtrans-90.6-29.4175.5-50.2-155.712800112.9K38 S599 S605K38-E601 IonicContact NZ-OE1 2.87Å; K38-E601 PolarHBondContact NZ-OE1 2.99Å; K38-E601 IonicContact NZ-OE2 3.19Å; K38-E601 PolarHBondContact NZ-OE2 2.97Å; S599-E601 PolarHBondContact O-N 3.23Å; S599-E601 PolarHBondContact OG-N 3.18Å; S599-E601 VanDerWaalsContact OG-N 3.15Å; E601-S605 WeakPolarHBondContact O-CB 3.39Å; E601-S605 PolarHBondContact O-N 3.22Å
602D40.6Very low36.9Very low90 Ų90105.5 Ų105.548%0.48156%0.557SS.*Hα-helixtrans-70.9-46.3179.3-63-64.4000110.9I598 S599 L604 S605 E606I598-D602 HydrophobicContact CG2-CB 4.27Å; S599-D602 VanDerWaalsContact CB-OD2 3.26Å; S599-D602 WeakPolarHBondContact CB-OD2 3.41Å; S599-D602 PolarHBondContact N-OD2 2.84Å; S599-D602 VanDerWaalsContact N-OD2 3.11Å; S599-D602 PolarHBondContact O-N 3.25Å; S599-D602 VanDerWaalsContact O-N 3.15Å; S599-D602 PolarHBondContact OG-N 3.46Å; S599-D602 PolarHBondContact OG-OD2 3.34Å; D602-L604 VanDerWaalsContact C-N 3.3Å; D602-L604 PolarHBondContact O-N 2.83Å; D602-S605 CarbonylContact O-C 3.21Å; D602-S605 WeakPolarHBondContact O-CA 3.32Å; D602-S605 WeakPolarHBondContact O-CB 3.23Å; D602-S605 PolarHBondContact O-N 2.97Å; D602-S605 VanDerWaalsContact O-N 3.11Å; D602-E606 PolarHBondContact O-N 3.23Å
603L38.1Very low37.8Very low109 Ų109108.2 Ų108.257%0.57155%0.551SS**Hα-helixtrans-61.3-40.5174.7-16178.2000111.2S605 E606 V607L603-S605 VanDerWaalsContact C-N 3.33Å; L603-E606 PolarHBondContact O-N 3.16Å; L603-V607 WeakPolarHBondContact O-CB 3.21Å; L603-V607 VanDerWaalsContact O-CG2 3.32Å; L603-V607 WeakPolarHBondContact O-CG2 3.35Å; L603-V607 PolarHBondContact O-N 3.09Å
604L40.3Very low38.2Very low58 Ų58108.7 Ų108.730%0.30454%0.54SS..Hα-helixtrans-65.8-37.3175.3-161.773000111.2S600 D602 M608S600-L604 WeakPolarHBondContact O-CB 3.5Å; D602-L604 VanDerWaalsContact C-N 3.3Å; D602-L604 PolarHBondContact O-N 2.83Å; L604-M608 VanDerWaalsContact O-CB 3.3Å; L604-M608 WeakPolarHBondContact O-CB 3.27Å; L604-M608 WeakPolarHBondContact O-CG 3.41Å; L604-M608 PolarHBondContact O-N 2.98Å
605S47.5Very low38.7Very low29 Ų29107.8 Ų107.820%0.20354%0.537CS..Hα-helixtrans-63-49.4172.7-171.90000111.1K23 E601 D602 L603 V607 M608 D609K23-S605 PolarHBondContact NZ-O 2.76Å; K23-S605 PolarHBondContact NZ-OG 3.46Å; E601-S605 WeakPolarHBondContact O-CB 3.39Å; E601-S605 PolarHBondContact O-N 3.22Å; D602-S605 CarbonylContact O-C 3.21Å; D602-S605 WeakPolarHBondContact O-CA 3.32Å; D602-S605 WeakPolarHBondContact O-CB 3.23Å; D602-S605 PolarHBondContact O-N 2.97Å; D602-S605 VanDerWaalsContact O-N 3.11Å; L603-S605 VanDerWaalsContact C-N 3.33Å; S605-V607 PolarHBondContact O-N 2.79Å; S605-M608 PolarHBondContact O-N 2.99Å; S605-D609 PolarHBondContact O-N 3.14Å
606E45.7Very low39.3Very low145 Ų145103.5 Ų103.568%0.67852%0.521SS*.Hα-helixtrans-61.1-44.3178.6-71.7-156.6120.100112.6D602 L603 M608 D609 A610D602-E606 PolarHBondContact O-N 3.23Å; L603-E606 PolarHBondContact O-N 3.16Å; E606-M608 VanDerWaalsContact C-N 3.34Å; E606-M608 PolarHBondContact O-N 2.84Å; E606-D609 PolarHBondContact O-N 3.4Å; E606-A610 WeakPolarHBondContact O-CB 3.38Å; E606-A610 PolarHBondContact O-N 3.04Å
607V42.5Very low39.5Very low83 Ų8398.7 Ų98.750%0.50351%0.513SS..Hα-helixtrans-57.7-45.9174.3169.50000111.1L603 S605 A610 F611L603-V607 WeakPolarHBondContact O-CB 3.21Å; L603-V607 VanDerWaalsContact O-CG2 3.32Å; L603-V607 WeakPolarHBondContact O-CG2 3.35Å; L603-V607 PolarHBondContact O-N 3.09Å; S605-V607 PolarHBondContact O-N 2.79Å; V607-A610 PolarHBondContact O-N 3.27Å; V607-F611 PolarHBondContact O-N 2.81Å
608M44.8Very low39.6Very low62 Ų6295.3 Ų95.331%0.30551%0.505SS..Hα-helixtrans-70.8-30.3178.5-68.1-70.6-8800113L604 S605 E606 F611 E612L604-M608 VanDerWaalsContact O-CB 3.3Å; L604-M608 WeakPolarHBondContact O-CB 3.27Å; L604-M608 WeakPolarHBondContact O-CG 3.41Å; L604-M608 PolarHBondContact O-N 2.98Å; S605-M608 PolarHBondContact O-N 2.99Å; E606-M608 VanDerWaalsContact C-N 3.34Å; E606-M608 PolarHBondContact O-N 2.84Å; M608-F611 PolarHBondContact O-N 3.5Å; M608-E612 PolarHBondContact O-N 2.84Å
609D47Very low39.5Very low34 Ų3495.4 Ų95.418%0.18251%0.507CS..Hα-helixtrans-68.1-41.6172.5-135.272.1000110.8K23 R42 S605 E606 F611 E612 K613K23-D609 WeakPolarHBondContact CD-OD1 3.5Å; K23-D609 WeakPolarHBondContact CE-OD1 3.34Å; K23-D609 IonicContact NZ-OD1 3.58Å; K23-D609 PolarHBondContact NZ-OD1 3.27Å; R42-D609 IonicContact NH1-OD1 3.37Å; S605-D609 PolarHBondContact O-N 3.14Å; E606-D609 PolarHBondContact O-N 3.4Å; D609-F611 VanDerWaalsContact C-N 3.28Å; D609-F611 PolarHBondContact O-N 3.04Å; D609-E612 PolarHBondContact O-N 3.43Å; D609-K613 VanDerWaalsContact O-CB 3.22Å; D609-K613 WeakPolarHBondContact O-CB 3.15Å; D609-K613 WeakPolarHBondContact O-CD 3.42Å; D609-K613 VanDerWaalsContact O-CG 3.26Å; D609-K613 WeakPolarHBondContact O-CG 3.27Å; D609-K613 PolarHBondContact O-N 2.99Å; D609-K613 WeakPolarHBondContact OD2-CE 3.45Å; D609-K613 IonicContact OD2-NZ 3.72Å; D609-K613 PolarHBondContact OD2-NZ 3.21Å
610A43.8Very low39.2Very low41 Ų41102.3 Ų102.334%0.33953%0.531SS..Hα-helixtrans-66.3-30174.400000112.4E606 V607 R614E606-A610 WeakPolarHBondContact O-CB 3.38Å; E606-A610 PolarHBondContact O-N 3.04Å; V607-A610 PolarHBondContact O-N 3.27Å; A610-R614 WeakPolarHBondContact O-CD 3.27Å; A610-R614 VanDerWaalsContact O-CG 3.26Å; A610-R614 WeakPolarHBondContact O-CG 3.46Å; A610-R614 PolarHBondContact O-N 3.13Å
611F39.2Very low38.8Very low107 Ų107106.8 Ų106.847%0.46953%0.532SS..Hα-helixtrans-71.7-50.8172.3-130.3-88.8000111.6V607 M608 D609 K613 R614 R615V607-F611 PolarHBondContact O-N 2.81Å; M608-F611 PolarHBondContact O-N 3.5Å; D609-F611 VanDerWaalsContact C-N 3.28Å; D609-F611 PolarHBondContact O-N 3.04Å; F611-K613 VanDerWaalsContact C-N 3.34Å; F611-K613 PolarHBondContact O-N 3.24Å; F611-R614 PolarHBondContact O-N 3.2Å; F611-R614 VanDerWaalsContact O-N 3.11Å; F611-R615 PolarHBondContact O-N 3.43Å
612E45.8Very low38.4Very low58 Ų58109.1 Ų109.127%0.27155%0.552SS.*Hα-helixtrans-61.3-39.7177.3-73-159.112700112.1K19 R42 M608 D609 R614 R615K19-E612 IonicContact NZ-OE1 2.85Å; R42-E612 IonicContact CZ-OE2 2.65Å; R42-E612 IonicContact NH2-OE2 3.79Å; R42-E612 PolarHBondContact NH2-OE2 3.23Å; M608-E612 PolarHBondContact O-N 2.84Å; D609-E612 PolarHBondContact O-N 3.43Å; E612-R614 PolarHBondContact O-N 2.89Å; E612-R615 PolarHBondContact O-N 2.85Å
613K45.3Very low37.7Very low149 Ų149110 Ų11065%0.64857%0.565SS**THydrogen-bonded Turntrans-67.1-16.8175.8-77.7166.5170.2157.90114.4D609 F611 S616D609-K613 VanDerWaalsContact O-CB 3.22Å; D609-K613 WeakPolarHBondContact O-CB 3.15Å; D609-K613 WeakPolarHBondContact O-CD 3.42Å; D609-K613 VanDerWaalsContact O-CG 3.26Å; D609-K613 WeakPolarHBondContact O-CG 3.27Å; D609-K613 PolarHBondContact O-N 2.99Å; D609-K613 WeakPolarHBondContact OD2-CE 3.45Å; D609-K613 IonicContact OD2-NZ 3.72Å; D609-K613 PolarHBondContact OD2-NZ 3.21Å; F611-K613 VanDerWaalsContact C-N 3.34Å; F611-K613 PolarHBondContact O-N 3.24Å; K613-S616 PolarHBondContact O-OG 3.34Å
614R33.8Very low37.2Very low178 Ų178113.9 Ų113.967%0.67258%0.581SS**THydrogen-bonded Turntrans-94.1-32.3172.3-70.9172.1-170.3174.36.7112.3A610 F611 E612 S616A610-R614 WeakPolarHBondContact O-CD 3.27Å; A610-R614 VanDerWaalsContact O-CG 3.26Å; A610-R614 WeakPolarHBondContact O-CG 3.46Å; A610-R614 PolarHBondContact O-N 3.13Å; F611-R614 PolarHBondContact O-N 3.2Å; F611-R614 VanDerWaalsContact O-N 3.11Å; E612-R614 PolarHBondContact O-N 2.89Å; R614-S616 PolarHBondContact O-N 2.82Å
615R36.3Very low36.6Very low215 Ų215115.7 Ų115.781%0.81160%0.598SS**THydrogen-bonded Turntrans-75.5-0.5-178.8-154.2169.9-174.2165.84113.9F611 E612F611-R615 PolarHBondContact O-N 3.43Å; E612-R615 PolarHBondContact O-N 2.85Å
616S37.9Very low35.7Very low78 Ų78121.2 Ų121.255%0.54562%0.624SS.*THydrogen-bonded Turntrans-88.9-16.7-178.257.30000115.4K613 R614 V618K613-S616 PolarHBondContact O-OG 3.34Å; R614-S616 PolarHBondContact O-N 2.82Å; S616-V618 VanDerWaalsContact C-N 3.34Å; S616-V618 PolarHBondContact O-N 3.22Å; S616-V618 VanDerWaalsContact O-N 3.11Å
617G30.4Very low34.8Very low71 Ų71122 Ų12273%0.73263%0.632SS**  trans651516000000118.9D619G617-D619 PolarHBondContact O-N 3.12Å
618V31.1Very low34.1Very low116 Ų116121.4 Ų121.470%0.70364%0.644SS**  trans-91.594.6177.6-1780000110.8S616 F620S616-V618 VanDerWaalsContact C-N 3.34Å; S616-V618 PolarHBondContact O-N 3.22Å; S616-V618 VanDerWaalsContact O-N 3.11Å; V618-F620 HydrophobicContact CG1-CD2 3.99Å; V618-F620 PolarHBondContact O-N 3.08Å; V618-F620 VanDerWaalsContact O-N 3.12Å
619D30.2Very low33.3Very low140 Ų140128.1 Ų128.175%0.74967%0.671SS**  trans-81.982.3-179.5-135.3-11.8000111.4G617 R621G617-D619 PolarHBondContact O-N 3.12Å; D619-R621 PolarHBondContact O-N 2.94Å
620F27.4Very low32.4Very low194 Ų194132.7 Ų132.785%0.85170%0.696SS**  trans-84.390.2170.8-115.7-79.1000109.9V618V618-F620 HydrophobicContact CG1-CD2 3.99Å; V618-F620 PolarHBondContact O-N 3.08Å; V618-F620 VanDerWaalsContact O-N 3.12Å
621R29Very low31.5Very low201 Ų201136.6 Ų136.676%0.75872%0.715SS**  trans-76130.5-179.1-87.1-170175.1-163.2-1.3113.6D619D619-R621 PolarHBondContact O-N 2.94Å
622T30.1Very low30.8Very low133 Ų133136.1 Ų136.182%0.81673%0.725SS**  trans53.3115.7150.750.80000119.1
623S25.8Very low29.9Very low108 Ų108142.7 Ų142.776%0.75575%0.748SS**  trans-106.6142.9161.453.10000111
624Q28.1Very low29Very low192 Ų192142.3 Ų142.390%0.89775%0.75SS**  trans70.9145175.9-49.8176.8100114.1
625S27.8Very low28.7Very low95 Ų95139.6 Ų139.666%0.66475%0.748SS**  cis-150.5153.514.562.20000114.7
626I28.4Very low28.3Very low146 Ų146135.7 Ų135.775%0.74974%0.744SS**  trans83121.2149.8-69.1158.5000119.5
627D27.1Very low27.8Very low160 Ų160139 Ų13986%0.85675%0.751SS**  trans50.6140.2153-55.2-7.8000123.2
628G27.3Very low27.8Very low72 Ų72142.7 Ų142.774%0.74275%0.752SS**  trans169.54.6168.900000125.2
629F27.8Very low27.7Very low203 Ų203143.8 Ų143.889%0.8975%0.747SS**  trans65.4142.2165.2-92.9-95.5000123.8
630D27.7Very low27.7Very low130 Ų130144 Ų14470%0.69575%0.747SS**  trans4987.6152.3-83.1-28.5000125.4
631V25.2Very low27.9Very low122 Ų122140.5 Ų140.574%0.73974%0.738SS**  26.6125.2102.6-1720000120.5
632S24.2Very low28.1Very low98 Ų98135.5 Ų135.569%0.68573%0.726SS**  trans70.9153.9162.479.10000115.8
633R27Very low28.2Very low196 Ų196136.9 Ų136.974%0.7472%0.723SS**  cis-172.4160.341.9-154.8178.6173.2142.2-3.5111.2
634M27.4Very low28.5Very low140 Ų140136.4 Ų136.469%0.6972%0.72SS**  trans61.4159.2155.4-80.7151.2163.600118.8
635D26.5Very low28.7Very low121 Ų121135 Ų13565%0.64771%0.713SS**  cis164.2139.1-33.4-99.5-49.5000106
636N27.3Very low28.9Very low134 Ų134136.3 Ų136.372%0.71771%0.713SS**  trans62.4125.3145.8-64-36.6000123.5
637E27.5Very low29.1Very low147 Ų147135 Ų13569%0.68771%0.708SS**  88163.9129.1-88.5-154.1-157.800121.8K639E637-K639 IonicContact OE2-NZ 3.62Å; E637-K639 PolarHBondContact OE2-NZ 2.93Å
638I30.1Very low29.2Very low149 Ų149132.9 Ų132.976%0.76470%0.7SS**  trans86.9124.9164.2-49.7-170.1000116.3
639K28.8Very low29.2Very low138 Ų138133.5 Ų133.560%0.669%0.694SS**  cis-179.3160.7-28.9-125.4159.8-175.4140.80109.7E637E637-K639 IonicContact OE2-NZ 3.62Å; E637-K639 PolarHBondContact OE2-NZ 2.93Å
640L30.9Very low29.1Very low144 Ų144130.8 Ų130.875%0.75469%0.687SS**  trans69.7150.9158.1-53.6152.2000115.4
641N32.4Very low29.1Very low121 Ų121132.2 Ų132.265%0.64769%0.693SS**  cis-155.4159.4-3.2-127.58000117
642N32.5Very low29.5Very low96 Ų96133.8 Ų133.851%0.51370%0.696SS.*  trans69.4115.6143.4-7623.9000124.3
643E33Very low30Very low162 Ų162133.9 Ų133.976%0.75770%0.695SS**  77.1140.6118.7-6816716700120.8
644S31.5Very low30.1Very low98 Ų98131.9 Ų131.969%0.68570%0.698SS**  cis-159.3151.1-6.142.90000114.9
645Q33Very low30.5Very low163 Ų163133 Ų13376%0.76271%0.706SS**  trans62.7119.7143.4-72.4-176.7-1.600122.8
646N31.4Very low30.9Very low122 Ų122132.3 Ų132.365%0.65271%0.708SS**  79.7145.2125.4-64.530.8000119.8
647D32.2Very low31Very low119 Ų119134.3 Ų134.364%0.63672%0.717SS**  cis-146.8165.70.6-129.7-39.8000116.5
648T29Very low31.5Very low115 Ų115130.9 Ų130.971%0.70671%0.714SS**  trans-39.3160.8161.354.10000116.4
649S27.1Very low31.7Very low86 Ų86129.7 Ų129.760%0.60172%0.716SS**  cis-178.1178-11.952.80000112.4
650I27Very low32Very low145 Ų145133.2 Ų133.274%0.74473%0.726SS**  trans79.2132.7135.3-88.5165.9000121.6
651I27Very low32.1Very low161 Ų161131 Ų13183%0.82672%0.723SS**  trans80.8121.8153.3-81.3169.5000121.4
652L33.7Very low32.3Very low155 Ų155136.9 Ų136.981%0.81274%0.736SS**  trans-66.8162.4161-70.9155.2000110.7
653P35Very low32.4Very low100 Ų100137 Ų13765%0.64974%0.744SS**  cis-157.8-163.44242.3-18.4000117.2
654N28.4Very low32.6Very low153 Ų153138.7 Ų138.782%0.81875%0.749SS**  trans77.5136150.7-68.2-15.5000122
655I37.2Very low32.8Very low165 Ų165145.5 Ų145.585%0.84676%0.759SS**  trans-89.6136172.5-67.5155.9000108.6
656P33.9Very low33Very low106 Ų106150.1 Ų150.169%0.68877%0.77SS**  -157.4149.9113.437-17.1000119.6
657L30.3Very low33.5Very low175 Ų175148.8 Ų148.892%0.91678%0.776SS**  trans67.5160.4142.4-68.3165.9000121.7
658A37.6Very low33.9Very low75 Ų75148.7 Ų148.762%0.6278%0.782SS**  trans-159.8149.4-174.300000115
659P34.8Very low35Very low124 Ų124149.2 Ų149.281%0.80579%0.787SS**  trans-91.9-154.7176.5-3.224.9000115.8
660R33.8Very low35.7Very low212 Ų212150.9 Ų150.980%0.880%0.796SS**  trans-129.8174.6-177.3-65.3169.2159.6151.5-8108.6
661S34.4Very low36.1Very low99 Ų99149.6 Ų149.669%0.69280%0.797SS**  cis-173.5150.737.5-46.20000115.1
662R35.4Very low36.7Very low243 Ų243148 Ų14892%0.91780%0.797SS**  trans60.2150.1140-90.7177.5177.6176.8-0.8120.5
663S35Very low36.6Very low99 Ų99148 Ų14869%0.69280%0.797SS**  cis-167171.62.2-159.60000114.1
664K38Very low36.4Very low197 Ų197151.9 Ų151.986%0.85781%0.807SS**  trans77.7155.6168.7-55.6177.2-178.4175.40118.4
665R34.8Very low36.7Very low241 Ų241150.9 Ų150.991%0.90981%0.811SS**  -179.1123.4-51.6-116.8-166.6-176.3-161.13.7111.8
666R38Very low36.4Very low261 Ų261148.6 Ų148.699%0.98581%0.81SS**  trans-175.1171.8142.4-104.3172.5-168.4-124.81.8110.5
667A40.7Very low36.5Very low94 Ų94148.8 Ų148.878%0.77781%0.814SS**  trans-143.5162.3-154.900000115.2
668P40.7Very low36.6Very low117 Ų117147.1 Ų147.176%0.7681%0.811SS**  trans-88.9168176.837-36.8000114.2
669P53.6Low36.3Very low126 Ų126147.8 Ų147.882%0.81882%0.817SS**  trans-83.8146.1-177.232.4-35.3000115.2
670P40.4Very low36.1Very low120 Ų120148.9 Ų148.978%0.77982%0.815SS**  trans-100175.5177.740.2-36.3000114
671P35.5Very low35.9Very low119 Ų119145 Ų14577%0.77381%0.81SS**  trans-80.4160.2-179.133.3-37.5000114.3
672P39.3Very low35.7Very low127 Ų127146.9 Ų146.983%0.82581%0.811SS**  trans-90.7115.6-175.833.8-33.1000114
673L31.3Very low35.5Very low156 Ų156141.7 Ų141.782%0.81780%0.8SS**  trans-148.7122.9159.9-98.6174000111.4
674Q30.9Very low35.2Very low181 Ų181142.2 Ų142.285%0.84680%0.799SS**  trans54.7126.4156.6-63.3-179.8-5.700121.4
675S34.5Very low34.9Very low131 Ų131138.1 Ų138.192%0.91679%0.791SS**  trans-164.5168.3131.6200000109.9
676S31.4Very low34.7Very low117 Ų117131.9 Ų131.982%0.81878%0.78SS**  trans-120.6158.4-158.652.60000115
677S35.5Very low34.3Very low111 Ų111125.7 Ų125.778%0.77677%0.766SS**  trans-152123.7147.951.20000113.5
678T32.5Very low33.9Very low140 Ų140126.5 Ų126.586%0.85976%0.761SS**  trans43.4106.5139-43.30000120.9
679A32.8Very low33.4Very low88 Ų88128 Ų12873%0.72776%0.763SS**  -174.9114.6104.600000114.3
680L30.4Very low32.3Very low147 Ų147127.7 Ų127.777%0.7776%0.759SS**  trans52.7111.1145.9-61.5169.3000122.2
681N29.6Very low31.9Very low132 Ų132125.6 Ų125.671%0.70675%0.752SS**  trans73.4150.1131.5-59.80.6000118.9
682I29.5Very low31.7Very low138 Ų138126 Ų12671%0.70875%0.752SS**  cis-172.1153.1-3-107.1170.8000105.1
683I30.3Very low31.5Very low133 Ų133125.8 Ų125.868%0.68275%0.749SS**  cis-151.6137.3-6.7-105.1165.8000105.4
684T30.1Very low31.6Very low110 Ų110124.5 Ų124.568%0.67574%0.743SS**  56.2144.682.414.70000116.2
685T30.5Very low31.9Very low111 Ų111121.6 Ų121.668%0.68173%0.733SS**  cis-156.2119-3.5-13.40000112.3
686T31Very low31.7Very low110 Ų110121.3 Ų121.368%0.67572%0.722SS**  trans50153.2131.666.80000126.4
687N30.3Very low31.7Very low131 Ų131122.8 Ų122.870%0.70172%0.719SS**  trans76.6116134.5-76.99000121.2
688T31.6Very low31.3Very low111 Ų111125.3 Ų125.368%0.68172%0.72SS**  75.312776.265.50000117
689N30.3Very low31Very low148 Ų148123.6 Ų123.679%0.79171%0.713SS**  trans173.2159151.1-97.7-10.3000110.7
690T30.9Very low30.9Very low120 Ų120124.2 Ų124.274%0.73671%0.712SS**  cis-166.3-177-32.315.70000109.5
691A31.8Very low30.7Very low76 Ų76121.8 Ų121.863%0.62871%0.707SS**  trans92.4115.5147.800000118.2
692T31.3Very low30.6Very low128 Ų128122.7 Ų122.779%0.78571%0.711SS**  84.7146.796.1570000113.9
693T35.4Very low30.7Very low123 Ų123121.8 Ų121.876%0.75571%0.708SS**  cis-168.9170.27.17.80000108
694N33.4Very low30.5Very low128 Ų128122.9 Ų122.968%0.68471%0.71SS**  cis-164.2-175.7-13.7-156.6-3.8000109.3
695N35.8Very low30.4Very low121 Ų121124 Ų12465%0.64772%0.717SS**  trans70.1151.8147-73.2-15.6000120.9
696N30.8Very low30.1Very low125 Ų125125.8 Ų125.867%0.66872%0.721SS**  cis-170.8166.1-31.3-134.1-22.5000111.9
697I31.6Very low29.9Very low148 Ų148128.2 Ų128.276%0.75973%0.729SS**  trans66.6149.4150.7-71.2162.6000119.3
698M26.9Very low29.6Very low164 Ų164129.3 Ų129.381%0.80873%0.734SS**  cis-169.3176.6-39.2-133.7-164.8-160.200112
699C27.3Very low29.5Very low103 Ų103129.4 Ų129.470%0.69674%0.74SS**  trans76.6110152.8-77.90000124.9
700S29.3Very low29.5Very low101 Ų101127.7 Ų127.771%0.70674%0.74SS**  37.2151.5107.359.20000122.1
701S28Very low29.2Very low97 Ų97128.5 Ų128.568%0.67874%0.739SS**  cis-178.9156.53.238.30000114.2
702L27.4Very low29Very low151 Ų151132.7 Ų132.779%0.79175%0.751SS**  trans63.3163.9154.3-89.471.2000116.9
703D30.1Very low28.8Very low118 Ų118132.5 Ų132.563%0.63174%0.743SS**  cis-150.3-176.323.5-136.3-32.6000116.5
704Q26.9Very low28.5Very low156 Ų156130.5 Ų130.573%0.72975%0.747SS**  trans-36.7157.9178.6-68.6152.771.400118.7
705T27.6Very low28.3Very low135 Ų135129.8 Ų129.883%0.82875%0.747SS**  -170.1165.771.1-550000113.7
706I24.3Very low27.9Very low148 Ų148130.2 Ų130.276%0.75975%0.75SS**  trans-100.2153.7-171.9-61.6155000112.7
707N27.7Very low27.7Very low160 Ų160131.4 Ų131.486%0.85675%0.754SS**  trans-150.1158.1143.1-142.3-22.6000113.1
708L24.1Very low27.5Very low154 Ų154128.3 Ų128.381%0.80675%0.746SS**  trans-150.7118.5-168.6-105.3170.7000113.7
709S28.9Very low27.5Very low113 Ų113129 Ų12979%0.7974%0.744SS**  trans-173.1151.7163.847.70000109.9
710S29.6Very low27.5Very low113 Ų113129.4 Ų129.479%0.7974%0.744SS**  cis-154.5167.5-12.144.10000110.9
711L25Very low27.3Very low137 Ų137131 Ų13172%0.71775%0.745SS**  trans-57.4161.5173.4-84.152.1000113.4I713L711-I713 HydrophobicContact CD2-CD1 3.87Å; L711-I713 HydrophobicContact CD2-CG1 4.29Å
712D28.5Very low27.3Very low164 Ų164136.2 Ų136.288%0.87776%0.755SS**  -143.7166.5113.7-140.5-26.6000112
713I25.2Very low27Very low124 Ų124135.9 Ų135.964%0.63675%0.753SS**  trans-123.9138.3-162.3-69.4172.8000112.5L711 T715L711-I713 HydrophobicContact CD2-CD1 3.87Å; L711-I713 HydrophobicContact CD2-CG1 4.29Å; I713-T715 HydrophobicContact CG2-CG2 3.94Å
714G30Very low26.8Very low80 Ų80140.4 Ų140.483%0.82577%0.768SS**  trans-136.5112.9169.400000112.1
715T28.9Very low26.6Very low113 Ų113138.7 Ų138.769%0.69376%0.762SS**  trans-112.5176.3176.166.20000109.2I713I713-T715 HydrophobicContact CG2-CG2 3.94Å
716N27.1Very low26.5Very low131 Ų131140 Ų14070%0.70176%0.764SS**  cis-168.7-17117.4-146.4-41.9000110.8
717I27.3Very low26.6Very low149 Ų149136.4 Ų136.476%0.76476%0.763SS**  trans75.2140.6150.6-72.5156.2000119.1
718S27.8Very low26.4Very low83 Ų83136.5 Ų136.558%0.5876%0.762SS**  cis-170.4155.9-29.176.40000113.3
719K26.6Very low26.5Very low178 Ų178134.8 Ų134.877%0.77476%0.763SS**  trans66.6129.3150.1-67.9167179.81770118.2
720T26.1Very low26.3Very low112 Ų112134.1 Ų134.169%0.68776%0.764SS**  cis73.6142.249.786.20000113.1
721D26Very low26.2Very low136 Ų136135 Ų13573%0.72777%0.768SS**  cis-149.915913.9-82.1-73.1000111.8
722K27.7Very low26.3Very low206 Ų206132.5 Ų132.590%0.89676%0.761SS**  171.3143.3116.6-93.2169.1-175.3177.50114.8
723L21.5Very low26.4Very low143 Ų143132.5 Ų132.575%0.74976%0.756SS**  trans-104.4150.6170.2-80.4152.4000110.6
724F26Very low26.5Very low213 Ų213132.8 Ų132.893%0.93475%0.754SS**  trans-144.8159.8148.7-109.7-81.6000110.1
725I23.1Very low26.3Very low120 Ų120135.3 Ų135.362%0.61575%0.749SS**  trans-143.4152.3-151.3-83.3173.4000112.7
726N24.8Very low26.3Very low164 Ų164138.2 Ų138.288%0.87775%0.754SS**  trans75.8140.1169.8-68.3-21.3000119.1
727G25.8Very low26.3Very low71 Ų71138.4 Ų138.473%0.73276%0.76SS**  trans177.722.9179.900000121.9
728I25.2Very low26.3Very low162 Ų162137.4 Ų137.483%0.83175%0.752SS**  trans66.9104159.5-55.8171.7000119.6
729S25.2Very low26.3Very low119 Ų119140.3 Ų140.383%0.83276%0.756SS**  trans45.7125.5131.7-50.50000124.9
730A24.5Very low26.3Very low98 Ų98136.1 Ų136.181%0.8175%0.746SS**  trans-144.6145.1146.800000110.8
731P28.6Very low26.4Very low133 Ų133134.7 Ų134.786%0.86474%0.74SS**  trans-95.4171.9-172.937-35.8000116.1
732S26.1Very low26.4Very low83 Ų83133 Ų13358%0.5873%0.731SS**  trans-77.8147.2-168.250.20000118.3
733H30.9Very low26.3Very low165 Ų165130.1 Ų130.176%0.76473%0.726SS**  -174.7124.1118.3-90.8-70.7000106.4
734E26.4Very low26.6Very low129 Ų129127.6 Ų127.660%0.60371%0.712SS**  97127.658.4-89.9-162.4138.900114.5
735N26.9Very low26.6Very low134 Ų134122.8 Ų122.872%0.71770%0.7SS**  trans66.479.1157.8-56.9-41.3000120
736H28.6Very low26.8Very low174 Ų174121.3 Ų121.381%0.80669%0.693SS**  trans-127.8147.4145.2-101.9-107.4000110.7
737V26.6Very low26.8Very low134 Ų134118.9 Ų118.981%0.81268%0.68SS**  trans-130.892.5175.41780000107.7
738E28.4Very low26.9Very low129 Ų129120.2 Ų120.260%0.60366%0.664SS**  trans-73.1135.6176.1-69.2127.1-175.600111.8T740E738-T740 HydrophobicContact CB-CG2 4.26Å
739E26.6Very low27Very low143 Ų143121 Ų12167%0.66867%0.669SS**  trans-87.189.8154.2-74.2-179.817300106.9S741 R980E739-S741 PolarHBondContact O-N 2.7Å; E739-R980 IonicContact OE1-CZ 3.72Å; E739-R980 VanDerWaalsContact OE1-CZ 3.27Å; E739-R980 IonicContact OE1-NH1 2.84Å; E739-R980 PolarHBondContact OE1-NH1 3.02Å; E739-R980 IonicContact OE1-NH2 2.68Å; E739-R980 PolarHBondContact OE1-NH2 2.87Å; E739-R980 IonicContact OE2-CZ 2.74Å; E739-R980 IonicContact OE2-NH1 3.71Å; E739-R980 PolarHBondContact OE2-NH1 2.96Å; E739-R980 IonicContact OE2-NH2 3.64Å
740T27Very low27Very low90 Ų90121.2 Ų121.255%0.55266%0.66SS**  trans-63.4124.917750.50000110E738E738-T740 HydrophobicContact CB-CG2 4.26Å
741S27.6Very low27.1Very low82 Ų82125.6 Ų125.657%0.57366%0.661SS**  trans-52.1136.8157.726.80000109.4E739E739-S741 PolarHBondContact O-N 2.7Å
742N27.4Very low27Very low100 Ų100123 Ų12354%0.53564%0.639SS.*  trans-97.8101170.3-86.18.4000107.8D35 I744D35-N742 PolarHBondContact OD1-ND2 2.75Å; N742-I744 PolarHBondContact O-N 2.91Å
743D25.9Very low27.1Very low147 Ų147123.5 Ų123.579%0.78663%0.634SS**  trans-59.2126.4171.2-64.1-40.4000110.4
744I27.3Very low27Very low90 Ų90121.8 Ų121.846%0.46262%0.621SS.*  trans-125.2105.8170.3-60.4179.6000106.9P27 N742 L746P27-I744 HydrophobicContact CG-CG1 4.34Å; P27-I744 HydrophobicContact CG-CG2 4.49Å; N742-I744 PolarHBondContact O-N 2.91Å; I744-L746 HydrophobicContact CG2-CD2 4.48Å; I744-L746 PolarHBondContact O-N 2.96Å; I744-L746 VanDerWaalsContact O-N 3.08Å
745T25.8Very low27.1Very low112 Ų112121.1 Ų121.169%0.68762%0.618SS**  trans-64.4107.1177-46.20000110.1N747T745-N747 PolarHBondContact O-N 2.8Å
746L27.7Very low27.1Very low88 Ų88122.4 Ų122.446%0.46163%0.625SS.*  trans-84.797-179.7-69.5171.6000110.9I744 Y748I744-L746 HydrophobicContact CG2-CD2 4.48Å; I744-L746 PolarHBondContact O-N 2.96Å; I744-L746 VanDerWaalsContact O-N 3.08Å; L746-Y748 HydrophobicContact CB-CD2 3.93Å; L746-Y748 HydrophobicContact CB-CE2 3.85Å; L746-Y748 HydrophobicContact CD1-CE2 4.19Å; L746-Y748 HydrophobicContact CD2-CE2 4Å; L746-Y748 HydrophobicContact CG-CE2 4.23Å; L746-Y748 PolarHBondContact O-N 3.14Å
747N23.7Very low27.1Very low114 Ų114119.9 Ų119.961%0.6163%0.626SS**  trans-74.589.4170.8-78.9-7.7000110.8T745T745-N747 PolarHBondContact O-N 2.8Å
748Y29.2Very low27.2Very low99 Ų99122.1 Ų122.139%0.38863%0.63SS.*  trans-111.5148.2164-64.9-63.9000110L746 I750 L902L746-Y748 HydrophobicContact CB-CD2 3.93Å; L746-Y748 HydrophobicContact CB-CE2 3.85Å; L746-Y748 HydrophobicContact CD1-CE2 4.19Å; L746-Y748 HydrophobicContact CD2-CE2 4Å; L746-Y748 HydrophobicContact CG-CE2 4.23Å; L746-Y748 PolarHBondContact O-N 3.14Å; Y748-I750 WeakPolarHBondContact O-CG1 3.21Å; Y748-I750 PolarHBondContact O-N 3.26Å; Y748-L902 PolarHBondContact OH-O 2.76Å
749N26.7Very low27.2Very low177 Ų177119.1 Ų119.195%0.94763%0.634SS**  trans-68.1127.4176.4-73.7-14.8000109.7
750I26.1Very low27.3Very low124 Ų124117.5 Ų117.564%0.63664%0.639SS**  trans-103120.3-155-33.4171.1000112.2Y748 I752Y748-I750 WeakPolarHBondContact O-CG1 3.21Å; Y748-I750 PolarHBondContact O-N 3.26Å; I750-I752 HydrophobicContact CB-CD1 4.28Å; I750-I752 HydrophobicContact CB-CG1 4.47Å; I750-I752 HydrophobicContact CD1-CD1 4.3Å; I750-I752 HydrophobicContact CG2-CD1 3.84Å; I750-I752 HydrophobicContact CG2-CG1 3.62Å; I750-I752 PolarHBondContact O-N 3.13Å
751K25.9Very low27.5Very low190 Ų190119.7 Ų119.783%0.82665%0.647SS**  trans-92.980.1160-166178.5-176.4-177.80108.7I753K751-I753 PolarHBondContact O-N 3.08Å
752I26.2Very low27.6Very low78 Ų78122.6 Ų122.640%0.465%0.651SS.*  trans-66.7128.5172.5-85.8146000108.8I750 R754I750-I752 HydrophobicContact CB-CD1 4.28Å; I750-I752 HydrophobicContact CB-CG1 4.47Å; I750-I752 HydrophobicContact CD1-CD1 4.3Å; I750-I752 HydrophobicContact CG2-CD1 3.84Å; I750-I752 HydrophobicContact CG2-CG1 3.62Å; I750-I752 PolarHBondContact O-N 3.13Å; I752-R754 HydrophobicContact CG2-CB 3.78Å; I752-R754 HydrophobicContact CG2-CG 3.64Å
753I28.9Very low27.9Very low94 Ų94123.4 Ų123.448%0.48266%0.656SS.*  trans-90.8114.1157.7-57.7175.2000106.1K751K751-I753 PolarHBondContact O-N 3.08Å
754R28Very low28.3Very low130 Ų130122.3 Ų122.349%0.49165%0.65SS.*  trans-144.3134.3167.7-89.4-178.7179.7139.24.1107.1I752I752-R754 HydrophobicContact CG2-CB 3.78Å; I752-R754 HydrophobicContact CG2-CG 3.64Å
755E28.2Very low28.9Very low115 Ų115124.4 Ų124.454%0.53766%0.662SS.*  trans-92.5122.6172.7-64.1-104.5118.900108.7S757 K1161E755-S757 PolarHBondContact O-N 2.94Å; E755-K1161 IonicContact OE1-NZ 3.23Å; E755-K1161 PolarHBondContact OE1-NZ 2.8Å; E755-K1161 WeakPolarHBondContact OE2-CE 3.31Å; E755-K1161 IonicContact OE2-NZ 2.85Å; E755-K1161 PolarHBondContact OE2-NZ 3.35Å
756D27.9Very low29.5Very low161 Ų161125.4 Ų125.486%0.86166%0.664SS**  trans-83.990.3168.7-80.2-44.7000109.2M758D756-M758 VanDerWaalsContact C-N 3.27Å; D756-M758 PolarHBondContact O-N 2.93Å
757S28.3Very low30Very low120 Ų120128.4 Ų128.484%0.83968%0.68SS**  trans-74.572.2-179.666.50000112.6E755E755-S757 PolarHBondContact O-N 2.94Å
758M28.3Very low30.7Very low181 Ų181129.6 Ų129.689%0.89269%0.686SS**  trans-88114.8166.9-84.1-71.1-179.100110.2D756D756-M758 VanDerWaalsContact C-N 3.27Å; D756-M758 PolarHBondContact O-N 2.93Å
759G29.5Very low30.8Very low67 Ų67132.1 Ų132.169%0.69171%0.707SS**  trans-80.2141.8-175.400000114.4
760S27.3Very low31.2Very low109 Ų109127.6 Ų127.676%0.76270%0.702SS**  trans38.4113.8143.261.10000119.3
761N31.2Very low31.4Very low135 Ų135128.4 Ų128.472%0.72271%0.707SS**  163.8143.9123.4-8712.2000108.8
762E30.7Very low31.7Very low143 Ų143128.7 Ų128.767%0.66871%0.712SS**  cis-174.8150.4-16.8-131.6-178.8-160.300103.8
763N33.1Very low31.8Very low118 Ų118130.1 Ų130.163%0.63172%0.724SS**  trans69.8150.5159.1-50.1-11.6000117
764D34.9Very low31.8Very low124 Ų124129 Ų12966%0.66373%0.729SS**  cis-164.1171.3-15-103.2-22000109.9
765D38.5Very low31.7Very low134 Ų134131.4 Ų131.472%0.71774%0.743SS**  trans75.2137.3149.6-63.1-17.6000124.5
766D38.8Very low31.8Very low133 Ų133137 Ų13771%0.71176%0.761SS**  trans73.7112.9146.4-59.8-7.3000124.5
767D38.2Very low31.8Very low151 Ų151133.6 Ų133.681%0.80775%0.75SS**  50.5154.7122.9-62.8-6.9000122.2
768D37.8Very low31.7Very low138 Ų138133.3 Ų133.374%0.73875%0.747SS**  cis-143.6-176.213.2-163.21.8000111.9
769N33Very low31.8Very low153 Ų153130 Ų13082%0.81874%0.742SS**  trans-70.2157.4-172.2-68.6-93.6000115.6
770G33.4Very low31.6Very low82 Ų82132.9 Ų132.985%0.84575%0.746SS**  trans-165.955.717800000114.1
771D30.3Very low31.5Very low141 Ų141132.7 Ų132.775%0.75475%0.745SS**  trans-78.9129.3-179.5-177.529.7000112.6T773D771-T773 VanDerWaalsContact OD1-CG2 3.31Å; D771-T773 WeakPolarHBondContact OD1-CG2 3.36Å
772E32.7Very low31.4Very low196 Ų196134.2 Ų134.292%0.91675%0.751SS**  trans-155.2155.5146-134.5-179.4-153.300112.8
773T29.5Very low31.3Very low108 Ų108134.2 Ų134.266%0.66376%0.756SS**  trans-136.4157.3-155.366.80000116D771D771-T773 VanDerWaalsContact OD1-CG2 3.31Å; D771-T773 WeakPolarHBondContact OD1-CG2 3.36Å
774A27.8Very low31.3Very low71 Ų71137 Ų13759%0.58776%0.764SS**  trans82.2131.2139.600000122.3
775K26.8Very low31Very low179 Ų179137.9 Ų137.978%0.77877%0.769SS**  trans64.1121141-62.3157.5-172.2166.30120.2
776Y30.7Very low30.6Very low234 Ų234134.9 Ų134.992%0.91877%0.77SS**  -169.3112.2120.1-94.4-74.8000106.3
777S27.2Very low30Very low89 Ų89137.2 Ų137.262%0.62278%0.777SS**  cis96101.146-64.60000114.4
778S26.9Very low29.6Very low113 Ų113138 Ų13879%0.7978%0.78SS**  trans59.2118.2140.462.80000123.7
779S29.4Very low29Very low112 Ų112136.1 Ų136.178%0.78378%0.778SS**  -165.6121.4129.139.40000109
780V25.6Very low28.9Very low127 Ų127134.3 Ų134.377%0.7778%0.777SS**  69.193.365.4178.40000110.6
781S25.2Very low28.7Very low105 Ų105134.8 Ų134.873%0.73477%0.767SS**  101137.266.4-75.20000112.3
782I29.4Very low28.8Very low168 Ų168135.1 Ų135.186%0.86277%0.768SS**  trans-172.3147.1147.9-100.8152.3000110.1
783N27.3Very low28.7Very low142 Ų142131.5 Ų131.576%0.75975%0.754SS**  trans-122.9150.8-173.4-71.1-32.6000112.6
784H33.2Very low28.8Very low176 Ų176131.6 Ų131.682%0.81575%0.751SS**  trans-165.9162150.9-84.1-33.7000109.4
785N29.2Very low29.1Very low143 Ų143134.9 Ų134.977%0.76576%0.759SS**  cis-177.3153.6-45.1-101.73.7000107.1
786G30.3Very low29.4Very low71 Ų71132 Ų13273%0.73275%0.751SS**  trans87.4109.3179.900000113.4
787Q26.8Very low29.6Very low182 Ų182128.1 Ų128.185%0.8574%0.739SS**  cis82.498.915.2-151.3-17729.700115.5
788L29Very low29.7Very low168 Ų168130 Ų13088%0.8875%0.747SS**  trans170.1106.6157.6-96.9156.9000106.4
789S26.2Very low30Very low99 Ų99132.8 Ų132.869%0.69275%0.753SS**  cis93.873.923.990.30000116.5
790S30.6Very low30.2Very low114 Ų114133.2 Ų133.280%0.79775%0.75SS**  trans-168.3143.5152.151.70000111.3
791S29.3Very low30.5Very low92 Ų92132.4 Ų132.464%0.64375%0.748SS**  cis177154.9-28.743.50000108.6
792I30.8Very low31.1Very low149 Ų149131.5 Ų131.576%0.76475%0.747SS**  trans70.5135.6154.3-69.9155.4000115.6
793N32.1Very low31.4Very low119 Ų119129.2 Ų129.264%0.63674%0.743SS**  cis-166.2171.8-4.3-101.422.5000106.6
794D31.7Very low31.7Very low111 Ų111128.5 Ų128.559%0.59475%0.746SS**  cis-170.6162.8-24.6-98.7-10.8000109.1
795N33Very low31.6Very low140 Ų140131.3 Ų131.375%0.74975%0.75SS**  trans69.7144.1171.4-41.4-67000114.8
796D33.8Very low31.9Very low117 Ų117129.3 Ų129.363%0.62674%0.744SS**  cis-167.8163.34.7-122.611000109.4
797K34.1Very low32.1Very low153 Ų153131.5 Ų131.567%0.66575%0.746SS**  cis-156.8110.9-10.9-147.7174.1-150.374.20112
798T29.6Very low32.9Very low128 Ų128128.5 Ų128.579%0.78574%0.742SS**  trans19.3130.915159.20000123.8
799L33.1Very low33.3Very low173 Ų173126.1 Ų126.191%0.90674%0.736SS**  trans-160.6165.7136.2-109.2160.8000111.1
800T34.9Very low33.4Very low120 Ų120131.2 Ų131.274%0.73675%0.746SS**  trans-122.1150.5-154.452.20000116.7
801P30.3Very low33.6Very low110 Ų110133.9 Ų133.971%0.71475%0.751SS**  trans-85.6169.9-179.836.2-37.2000115
802A38.7Very low33.8Very low86 Ų86136.7 Ų136.771%0.71176%0.759SS**  trans-137.5167.2-174.300000113
803P36Very low33.8Very low121 Ų121136.2 Ų136.279%0.78676%0.757SS**  trans-86.8162.6-158.934-36.9000116.8
804P32.6Very low33.9Very low127 Ų127136.9 Ų136.983%0.82576%0.761SS**  trans-82163.5-174.334-37.7000115.2
805R32.5Very low34.1Very low235 Ų235138.7 Ų138.789%0.88777%0.766SS**  trans-150.5174.5178.2-109.1-163.9-158-106.1-2112.7
806P34.2Very low34.1Very low100 Ų100138.6 Ų138.665%0.64977%0.77SS**  trans-98.7175.8-131.841.6-37.2000114.5
807P35.8Very low34Very low118 Ų118136.5 Ų136.577%0.76678%0.776SS**PPolyproline II helixtrans-72.2158.8-178.529.3-37.7000114.4
808P43.4Very low34Very low119 Ų119135.3 Ų135.377%0.77378%0.781SS**PPolyproline II helixtrans-71.2158.8173.431.2-35.5000112.6
809P35.8Very low34.2Very low117 Ų117135.3 Ų135.376%0.7678%0.781SS**PPolyproline II helixtrans-81.9152.1-172.633.2-36.1000113.8
810K30.1Very low34.3Very low207 Ų207131.5 Ų131.590%0.977%0.769SS**PPolyproline II helixtrans-75.4138.7160.2-59.9-176.6178.9-172.90109.2
811L34.9Very low34.2Very low170 Ų170133.6 Ų133.689%0.8978%0.775SS**  trans-112150.7160.3-12777.3000109.2
812N33.4Very low34.3Very low151 Ų151133.5 Ų133.581%0.80777%0.774SS**  trans-120.6159.3-171.9-163.112.3000110.9
813N30.1Very low34.3Very low138 Ų138136.1 Ų136.174%0.73878%0.782SS**  trans-60.8149.9177.5-72.3-29.4000112.5
814N33.9Very low34.2Very low133 Ų133135.7 Ų135.771%0.71178%0.779SS**  179.9149.3115.2-96-10.2000117.4
815H36.3Very low34.2Very low150 Ų150137 Ų13769%0.69478%0.778SS**  trans82.1104147.5-61.6-31.4000124.1
816T33Very low33.9Very low138 Ų138135.4 Ų135.485%0.84777%0.772SS**  75.5137.8126.660.70000122
817G32.5Very low33.6Very low72 Ų72137.7 Ų137.774%0.74278%0.779SS**  trans-160.3-40178.600000117.6
818V32.5Very low33.4Very low128 Ų128137.7 Ų137.778%0.77678%0.781SS**  trans73.5150164.5-156.90000119
819T33.5Very low32.7Very low129 Ų129141.2 Ų141.279%0.79179%0.785SS**  trans91135.7165.570.20000119.8
820S35.3Very low32.5Very low93 Ų93144.8 Ų144.865%0.6579%0.791SS**  cis-171.7123.8-28.447.20000114.1
821L33.7Very low32.3Very low163 Ų163142.1 Ų142.185%0.85379%0.787SS**  trans60.8165.7138.7-83.380.4000121.5
822P32.4Very low32.2Very low108 Ų108142.1 Ų142.170%0.70179%0.788SS**  cis-140.2168.5-3537.6-20.9000115.9
823T37.9Very low32Very low141 Ų141141.8 Ų141.887%0.86579%0.786SS**  trans-123.7146158.543.10000112.5
824P34.6Very low31.8Very low112 Ų112140 Ų14073%0.72778%0.784SS**  trans-133.7179.2162.534.9-18.3000112.9
825L31.6Very low31.8Very low154 Ų154139.7 Ų139.781%0.80679%0.793SS**  cis-173.9159.2-32.9-90174.5000105.2
826R27.7Very low31.5Very low203 Ų203141.9 Ų141.977%0.76680%0.8SS**  cis-174.4133.5-35.7175.7175.8-174.2-163.65.1107.7
827N27.7Very low31.3Very low147 Ų147143.2 Ų143.279%0.78680%0.796SS**  trans68168.5176.7-57.3-11.7000114.7
828S31.7Very low31.5Very low118 Ų118147.5 Ų147.583%0.82580%0.801SS**  cis-145.9176.616.261.80000114.8
829K27.3Very low31.4Very low193 Ų193145.3 Ų145.384%0.83979%0.791SS**  trans-82.8146.8-179.6-53.4169.6179.6177.10112
830Q31.8Very low31Very low192 Ų192150 Ų15090%0.89779%0.794SS**  -163.6162.6129.9-113.5164.7-3.400112.2
831N26.7Very low30.9Very low152 Ų152154.4 Ų154.481%0.81380%0.804SS**  trans-83.7157.4-179-47.5-24.7000110.3
832D33Very low30.7Very low169 Ų169154.2 Ų154.290%0.90480%0.799SS**  -157.7164.6112.1-121.9-28.8000112.7
833D28Very low30.4Very low145 Ų145157.1 Ų157.178%0.77580%0.803SS**  trans-107.2173.6-167.4-154.6-21000112.9
834S27.8Very low29.9Very low100 Ų100158.4 Ų158.470%0.69980%0.804SS**  trans78.1110.8162.277.90000119.6
835S33.9Very low29.7Very low127 Ų127162.2 Ų162.289%0.88881%0.812SS**  -162.9107.9124.1-84.80000111
836K28Very low29.4Very low195 Ų195164.2 Ų164.285%0.84882%0.819SS**  trans-95.9175.1177.6-69.6172.9-179.7165.40111.3
837H29.3Very low29.5Very low166 Ų166157.9 Ų157.977%0.76982%0.817SS**  trans95.5114-179.7-66.1-99.7000111.8
838I37.5Very low29.7Very low163 Ų163159.3 Ų159.384%0.83682%0.823SS**  -144.7121.251.8-76.5152.8000107.6
839S29.6Very low29.5Very low81 Ų81157.1 Ų157.157%0.56682%0.819SS**  59.8130.561.8-70.80000114.7
840R25.9Very low29.5Very low228 Ų228155.9 Ų155.986%0.8682%0.821SS**  cis-167.7119.4-1.9-112.9178.3174.2-179.7-2.6108.2
841Q32.9Very low29.3Very low185 Ų185151.5 Ų151.586%0.86481%0.809SS**  trans-165.497.6154.9-112.7164-8.800108.6
842H29.6Very low29.5Very low159 Ų159150.2 Ų150.274%0.73681%0.809SS**  67.289.8108.6-76.3-71.9000112.9
843Q25.9Very low29.3Very low170 Ų170148.2 Ų148.279%0.79480%0.803SS**  75.3141.372-73.8-171.8-33.800113.8
844L27Very low29.3Very low168 Ų168146.3 Ų146.388%0.8880%0.798SS**  trans70120.5-148.7-51.4171.9000109.8
845E30.1Very low29.3Very low192 Ų192150.1 Ų150.190%0.89780%0.802SS**  cis-131.4156.73.9-62.7174.5121.700110.8
846M26.9Very low29Very low196 Ų196149 Ų14997%0.96679%0.79SS**  trans-143.7124.9179.5-100.1-81.5-74.700109
847G28.5Very low29.4Very low69 Ų69148 Ų14871%0.71179%0.788SS**  trans-17258-170.400000115.1
848I31.7Very low30Very low177 Ų177146.2 Ų146.291%0.90878%0.781SS**  trans38.494.2157.4-40.5175.5000115
849G27.3Very low30.9Very low72 Ų72139.9 Ų139.974%0.74276%0.756SS**  cis117.636.622.700000112.8
850L28.4Very low32.9Very low168 Ų168136.5 Ų136.588%0.8873%0.733SS**PPolyproline II helixtrans-61144.2174-76.1169.9000111.2
851P27.5Very low35.5Very low100 Ų100127.2 Ų127.265%0.64970%0.703SS**PPolyproline II helixtrans-64.2152174.728.7-35000110.9T853P851-T853 PolarHBondContact O-N 2.9Å; P851-T853 VanDerWaalsContact O-N 3.11Å
852P31Very low38.1Very low125 Ų125119.8 Ų119.881%0.81267%0.667SS**PPolyproline II helixtrans-63.1116.1-178.425.9-34.2000110.8
853T29.3Very low40.8Very low127 Ų127114.6 Ų114.678%0.77964%0.644SS**PPolyproline II helixtrans-54.7129.5179.9-38.30000110.6P851P851-T853 PolarHBondContact O-N 2.9Å; P851-T853 VanDerWaalsContact O-N 3.11Å
854P26.4Very low43.7Very low104 Ų104110.1 Ų110.168%0.67562%0.623SS**PPolyproline II helixtrans-52.7142.8175.8-28.435.9000112.1V856P854-V856 WeakPolarHBondContact O-CG2 3.48Å; P854-V856 PolarHBondContact O-N 3.12Å
855K28.3Very low46.6Very low181 Ų181102.9 Ų102.979%0.78759%0.586SS**  trans-74.178.5175.9-69.9-178.2-177.8174.40110.3H857K855-H857 PolarHBondContact O-N 2.91Å
856V27.2Very low49.3Very low104 Ų10494.1 Ų94.163%0.6354%0.544SS*.  trans-65.9129.3171.5-152.30000108.6P854P854-V856 WeakPolarHBondContact O-CG2 3.48Å; P854-V856 PolarHBondContact O-N 3.12Å
857H37Very low52.2Low172 Ų17289.7 Ų89.780%0.79652%0.521SS*.  trans-67.8143.1162.5-73.472.3000107.9K855 G859K855-H857 PolarHBondContact O-N 2.91Å; H857-G859 PolarHBondContact O-N 3.4Å
858M41.7Very low55Low130 Ų13087.7 Ų87.764%0.6450%0.501SS*.  trans-73.271.9171.8-83.1-71.5-68.300109.8
859G56.4Low57.7Low29 Ų2979.3 Ų79.330%0.29946%0.458SS..  trans-66.8143.1163.600000109.6H857H857-G859 PolarHBondContact O-N 3.4Å
860A71.2Confident60.6Low10 Ų1079.4 Ų79.48%0.08345%0.445CS..  trans-58.8155178.700000112I1157 L1192 V1193 G1194 H1195A860-I1157 WeakPolarHBondContact O-CD1 3.4Å; A860-L1192 HydrophobicContact CB-CD1 3.7Å; A860-L1192 HydrophobicContact CB-CD2 4.33Å; A860-L1192 HydrophobicContact CB-CG 4.01Å; A860-V1193 CarbonylContact C-O 3.59Å; A860-V1193 VanDerWaalsContact CA-O 3.27Å; A860-V1193 WeakPolarHBondContact CA-O 3.27Å; A860-G1194 WeakPolarHBondContact CA-O 3.43Å; A860-G1194 PolarHBondContact N-O 3.01Å; A860-H1195 HydrophobicContact CB-CB 4.23Å
861C81.2Confident63.5Low34 Ų3471.9 Ų71.923%0.2341%0.406CS..EExtended strand (participates in β ladder)trans-145.6151.8-179.161.40000110.9V1193C861-V1193 PolarHBondContact N-O 3.32Å; C861-V1193 PolarHBondContact O-N 3.03Å
862F87.4Confident66.5Low28 Ų2872.8 Ų72.812%0.12340%0.4CS..EExtended strand (participates in β ladder)trans-82.7124.3173.7-62.7-56.4000110.7F1139 L1144 I1157 Y1164 V1175 L1190 L1192F862-F1139 HydrophobicContact CE1-CE1 4.29Å; F862-F1139 HydrophobicContact CZ-CE1 4.45Å; F862-L1144 HydrophobicContact CE1-CD2 3.99Å; F862-L1144 HydrophobicContact CZ-CD2 3.86Å; F862-I1157 HydrophobicContact CD2-CG2 4.27Å; F862-I1157 HydrophobicContact CE2-CD1 4.24Å; F862-I1157 HydrophobicContact CE2-CG2 3.83Å; F862-I1157 HydrophobicContact CZ-CD1 4.38Å; F862-Y1164 HydrophobicContact CD2-CD1 4.02Å; F862-Y1164 AromaticContact CD2-CE1 3.37Å; F862-Y1164 HydrophobicContact CD2-CE1 3.37Å; F862-Y1164 AromaticContact CD2-CZ 3.85Å; F862-Y1164 AromaticContact CE2-CD1 3.64Å; F862-Y1164 HydrophobicContact CE2-CD1 3.64Å; F862-Y1164 AromaticContact CE2-CE1 3.39Å; F862-Y1164 HydrophobicContact CE2-CE1 3.39Å; F862-Y1164 HydrophobicContact CE2-CE2 4.36Å; F862-Y1164 HydrophobicContact CE2-CG 4.24Å; F862-Y1164 AromaticContact CE2-CZ 3.78Å; F862-Y1164 HydrophobicContact CG-CE1 4.14Å; F862-Y1164 AromaticContact CZ-CD1 3.97Å; F862-Y1164 HydrophobicContact CZ-CD1 3.97Å; F862-Y1164 HydrophobicContact CZ-CE1 4.17Å; F862-Y1164 HydrophobicContact CZ-CG 4.48Å; F862-V1175 HydrophobicContact CE1-CB 4.35Å; F862-V1175 HydrophobicContact CE1-CG1 4.3Å; F862-V1175 HydrophobicContact CE1-CG2 4.02Å; F862-L1190 HydrophobicContact CB-CB 4.34Å; F862-L1190 HydrophobicContact CB-CD1 4.02Å; F862-L1190 HydrophobicContact CD1-CD1 4.44Å; F862-L1190 HydrophobicContact CG-CD1 4.12Å; F862-L1192 HydrophobicContact CD1-CB 4.42Å; F862-L1192 HydrophobicContact CD1-CD1 3.85Å; F862-L1192 HydrophobicContact CE1-CB 4.47Å; F862-L1192 HydrophobicContact CE1-CD1 3.78Å
863M85.9Confident69.5Low51 Ų5166.9 Ų66.925%0.25136%0.361SS..EExtended strand (participates in β ladder)trans-104.2117.7174.1178.8-179.4-71.700109.4L1190 I1191 V1193M863-L1190 CarbonylContact O-C 3.59Å; M863-L1190 VanDerWaalsContact O-CA 3.28Å; M863-L1190 WeakPolarHBondContact O-CA 3.36Å; M863-I1191 PolarHBondContact N-O 3.02Å; M863-I1191 PolarHBondContact O-N 2.87Å; M863-V1193 HydrophobicContact CB-CG2 3.87Å; M863-V1193 HydrophobicContact CE-CG2 4.1Å; M863-V1193 HydrophobicContact SD-CG2 4.19Å
864Q88Confident72.5Confident76 Ų7661.7 Ų61.736%0.35533%0.329SS..EExtended strand (participates in β ladder)trans-73.2127.1178-171.4170.4-7500111.6E867 N1188 L1190Q864-E867 PolarHBondContact NE2-OE2 2.68Å; Q864-N1188 HydrophobicContact CG-CB 4.44Å; Q864-N1188 VanDerWaalsContact OE1-CG 3.3Å; Q864-N1188 PolarHBondContact OE1-ND2 3.11Å; Q864-L1190 HydrophobicContact CB-CD2 3.79Å; Q864-L1190 HydrophobicContact CG-CD2 4.06Å
865I88Confident75.7Confident16 Ų1656.8 Ų56.88%0.08230%0.297CS..EExtended strand (participates in β ladder)trans-113-16.2179.253.7158.4000113.2I889 F891 L900 L902 L1189 I1191I865-I889 HydrophobicContact CD1-CD1 4.01Å; I865-F891 HydrophobicContact CD1-CZ 4.23Å; I865-L900 HydrophobicContact CB-CD2 4.16Å; I865-L900 HydrophobicContact CD1-CD2 4.12Å; I865-L900 HydrophobicContact CG1-CD2 4.49Å; I865-L902 HydrophobicContact CG2-CD2 4.33Å; I865-L1189 HydrophobicContact CD1-CB 4.34Å; I865-L1189 HydrophobicContact CG1-CB 4.05Å; I865-L1189 WeakPolarHBondContact CG1-O 3.48Å; I865-L1189 PolarHBondContact N-O 3.44Å; I865-I1191 HydrophobicContact CD1-CD1 4.17Å; I865-I1191 HydrophobicContact CD1-CG1 3.92Å; I865-I1191 HydrophobicContact CG1-CG1 4.32Å; I865-I1191 HydrophobicContact CG2-CD1 3.79Å; I865-I1191 HydrophobicContact CG2-CG1 3.98Å
866F86.7Confident78.9Confident8 Ų848.8 Ų48.84%0.03526%0.263CS..EExtended strand (participates in β ladder)trans-153.1139172.4-161.2-83.8000109.7I562 L564 C869 G908 L910 N1188 L1189I562-F866 HydrophobicContact CG2-CZ 4.17Å; L564-F866 HydrophobicContact CD2-CE1 4.46Å; F866-C869 HydrophobicContact CD1-CB 3.76Å; F866-C869 HydrophobicContact CE1-CB 4.04Å; F866-G908 WeakPolarHBondContact CE2-O 3.39Å; F866-L910 HydrophobicContact CD1-CD1 4.11Å; F866-L910 HydrophobicContact CD2-CD1 3.87Å; F866-L910 HydrophobicContact CD2-CG 3.79Å; F866-L910 HydrophobicContact CE1-CD1 4.05Å; F866-L910 HydrophobicContact CE2-CB 4.23Å; F866-L910 HydrophobicContact CE2-CD1 3.8Å; F866-L910 HydrophobicContact CE2-CG 3.66Å; F866-L910 HydrophobicContact CG-CD1 4.02Å; F866-L910 HydrophobicContact CG-CG 4.42Å; F866-L910 HydrophobicContact CZ-CD1 3.9Å; F866-L910 HydrophobicContact CZ-CG 4.2Å; F866-N1188 WeakPolarHBondContact O-CA 3.47Å; F866-L1189 HydrophobicContact CB-CB 3.91Å; F866-L1189 HydrophobicContact CB-CD1 3.9Å; F866-L1189 HydrophobicContact CB-CG 4.04Å; F866-L1189 HydrophobicContact CG-CD1 4.37Å; F866-L1189 PolarHBondContact N-O 2.95Å; F866-L1189 PolarHBondContact O-N 2.82Å
867E87.5Confident82.1Confident102 Ų10244 Ų4448%0.47724%0.235SC..EExtended strand (participates in β ladder)trans-105.7140.3178.4-163.8170.2128.100110.7L564 Q864 C869 N1188L564-E867 HydrophobicContact CD2-CB 4.01Å; L564-E867 WeakPolarHBondContact CD2-O 3.31Å; Q864-E867 PolarHBondContact NE2-OE2 2.68Å; E867-C869 PolarHBondContact O-N 3.23Å; E867-N1188 WeakPolarHBondContact CA-OD1 3.36Å; E867-N1188 WeakPolarHBondContact CG-OD1 3.25Å
868G86.3Confident84.8Confident28 Ų2836.1 Ų36.129%0.28920%0.199SC..EExtended strand (participates in β ladder)trans57.142.7170.800000115P870 N1186 N1188G868-P870 WeakPolarHBondContact O-CD 3.07Å; G868-N1186 VanDerWaalsContact C-CB 3.42Å; G868-N1186 WeakPolarHBondContact O-CB 3.48Å; G868-N1186 PolarHBondContact O-ND2 3.46Å; G868-N1188 PolarHBondContact N-OD1 3.03Å
869C88.1Confident87.2Confident1 Ų130.4 Ų30.41%0.00717%0.17CC..EExtended strand (participates in β ladder)trans-64.9120.2174.5-170.50000111.8F866 E867 L871 L910 N1186 S1187 L1189F866-C869 HydrophobicContact CD1-CB 3.76Å; F866-C869 HydrophobicContact CE1-CB 4.04Å; E867-C869 PolarHBondContact O-N 3.23Å; C869-L871 VanDerWaalsContact C-N 3.3Å; C869-L910 VanDerWaalsContact SG-CD1 3.58Å; C869-N1186 CarbonylContact O-C 3.58Å; C869-N1186 WeakPolarHBondContact O-CA 3.31Å; C869-N1186 WeakPolarHBondContact O-CB 3.33Å; C869-S1187 WeakPolarHBondContact CA-O 3.37Å; C869-S1187 WeakPolarHBondContact CB-O 3.48Å; C869-S1187 PolarHBondContact N-O 2.67Å; C869-S1187 PolarHBondContact O-N 2.76Å; C869-L1189 HydrophobicContact CB-CD1 4.15Å; C869-L1189 HydrophobicContact CB-CD2 4.32Å; C869-L1189 HydrophobicContact CB-CG 4.02Å
870P88.1Confident88.9Confident73 Ų7331.4 Ų31.447%0.47417%0.17SC..  trans-83.7-4.5177.135-36.2000113.1I562 G868I562-P870 HydrophobicContact CD1-CG 4.13Å; I562-P870 HydrophobicContact CG2-CG 4.19Å; G868-P870 WeakPolarHBondContact O-CD 3.07Å
871L90.6Very high89.6Confident10 Ų1031.4 Ų31.45%0.05217%0.169CC..SBendtrans-84.5129.8-174.9-64.1173.8000111.3I562 C869 V873 T893 D895 Y898 L910I562-L871 HydrophobicContact CD1-CD1 3.72Å; I562-L871 HydrophobicContact CD1-CD2 3.68Å; I562-L871 HydrophobicContact CD1-CG 3.58Å; C869-L871 VanDerWaalsContact C-N 3.3Å; L871-V873 PolarHBondContact O-N 2.96Å; L871-T893 HydrophobicContact CB-CG2 3.92Å; L871-T893 HydrophobicContact CD1-CG2 4.05Å; L871-D895 HydrophobicContact CD2-CB 4.45Å; L871-Y898 HydrophobicContact CD1-CD1 4Å; L871-Y898 HydrophobicContact CD1-CD2 3.48Å; L871-Y898 VanDerWaalsContact CD1-CD2 3.48Å; L871-Y898 HydrophobicContact CD1-CE1 4.04Å; L871-Y898 HydrophobicContact CD1-CE2 3.51Å; L871-Y898 HydrophobicContact CD1-CG 3.73Å; L871-Y898 HydrophobicContact CD2-CE2 3.75Å; L871-Y898 HydrophobicContact CG-CE2 4.3Å; L871-L910 HydrophobicContact CD1-CD1 4.37Å
872K90.5Very high89.9Confident119 Ų11933.1 Ų33.152%0.51718%0.179SC..  trans-71.996.4166-176.1155.1-176.3161.80110.1T893 N894K872-T893 VanDerWaalsContact O-CA 3.27Å; K872-T893 WeakPolarHBondContact O-CA 3.3Å; K872-T893 WeakPolarHBondContact O-CB 3.42Å; K872-N894 PolarHBondContact O-N 2.8Å
873V93Very high89.6Confident1 Ų136 Ų361%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-74.8122.7174.9-174.90000110L871 T876 F891 T893 R1165 L1167 L1189L871-V873 PolarHBondContact O-N 2.96Å; V873-T876 HydrophobicContact CG1-CG2 3.88Å; V873-F891 HydrophobicContact CG1-CB 4.5Å; V873-F891 HydrophobicContact CG1-CD1 4.1Å; V873-F891 HydrophobicContact CG2-CD1 4.24Å; V873-T893 HydrophobicContact CB-CG2 4.48Å; V873-T893 HydrophobicContact CG2-CG2 4.06Å; V873-R1165 PolarHBondContact O-NH2 3.29Å; V873-L1167 HydrophobicContact CB-CD1 4.14Å; V873-L1167 HydrophobicContact CB-CD2 3.98Å; V873-L1167 HydrophobicContact CG1-CB 4.49Å; V873-L1167 HydrophobicContact CG1-CD1 3.94Å; V873-L1167 HydrophobicContact CG1-CD2 3.95Å; V873-L1167 HydrophobicContact CG1-CG 4.35Å; V873-L1167 HydrophobicContact CG2-CD1 4.46Å; V873-L1189 HydrophobicContact CG2-CD2 4.25Å
874N92.9Very high89.4Confident19 Ų1937.5 Ų37.510%0.10221%0.206CC..EExtended strand (participates in β ladder)trans-97-36.5179.5-61.7-41.8000112L383 G892 N894 C918 L919L383-N874 HydrophobicContact CD1-CB 3.96Å; N874-G892 PolarHBondContact N-O 3.15Å; N874-N894 PolarHBondContact ND2-N 2.98Å; N874-N894 PolarHBondContact ND2-OD1 3Å; N874-N894 VanDerWaalsContact ND2-OD1 3.13Å; N874-C918 PolarHBondContact ND2-O 3.27Å; N874-L919 VanDerWaalsContact CB-O 3.27Å; N874-L919 WeakPolarHBondContact CB-O 3.37Å
875S93.2Very high89.2Confident1 Ų139.4 Ų39.41%0.00722%0.217CC..EExtended strand (participates in β ladder)trans-158.3152-178.662.80000112.1G892 L919 W920 L921 L1167S875-G892 PolarHBondContact N-O 3.02Å; S875-G892 PolarHBondContact O-N 3.49Å; S875-L919 WeakPolarHBondContact CB-O 3.42Å; S875-L919 PolarHBondContact OG-O 3.43Å; S875-W920 WeakPolarHBondContact OG-CA 3.38Å; S875-L921 PolarHBondContact OG-N 3.37Å; S875-L1167 CarbonylContact C-O 3.56Å
876T95.8Very high89Confident12 Ų1239 Ų397%0.07422%0.216CC..EExtended strand (participates in β ladder)trans-127.8158.6169.764.40000113.8V873 I889 L890 F891 L1167 G1168 V1174V873-T876 HydrophobicContact CG1-CG2 3.88Å; T876-I889 HydrophobicContact CG2-CG2 4.42Å; T876-L890 WeakPolarHBondContact CA-O 3.3Å; T876-L890 WeakPolarHBondContact CB-O 3.49Å; T876-F891 HydrophobicContact CG2-CD1 3.42Å; T876-F891 VanDerWaalsContact CG2-CD1 3.42Å; T876-F891 HydrophobicContact CG2-CE1 3.78Å; T876-F891 HydrophobicContact CG2-CG 4.21Å; T876-L1167 HydrophobicContact CG2-CB 3.98Å; T876-L1167 PolarHBondContact N-O 3.05Å; T876-L1167 PolarHBondContact OG1-O 3.47Å; T876-G1168 WeakPolarHBondContact OG1-CA 3.27Å; T876-G1168 PolarHBondContact OG1-N 2.65Å; T876-V1174 HydrophobicContact CG2-CG1 4.27Å
877A94.6Very high89Confident4 Ų441.2 Ų41.23%0.03323%0.227CC..EExtended strand (participates in β ladder)trans-145.9160.616500000110.6L890 L921 V923A877-L890 PolarHBondContact N-O 2.84Å; A877-L890 VanDerWaalsContact N-O 3.13Å; A877-L890 PolarHBondContact O-N 2.82Å; A877-L921 HydrophobicContact CB-CD1 3.45Å; A877-L921 VanDerWaalsContact CB-CD1 3.45Å; A877-V923 HydrophobicContact CB-CG2 3.96Å
878T92.6Very high89.2Confident7 Ų736.5 Ų36.54%0.04321%0.205CC..EExtended strand (participates in β ladder)trans-104137176.6-58.40000110.4I888 R1171 N1172T878-I888 WeakPolarHBondContact CA-O 3.18Å; T878-R1171 HydrophobicContact CG2-CB 4.31Å; T878-N1172 WeakPolarHBondContact CG2-ND2 3.45Å; T878-N1172 PolarHBondContact OG1-ND2 2.89Å; T878-N1172 VanDerWaalsContact OG1-ND2 3.09Å
879W93.6Very high89.5Confident10 Ų1035.1 Ų35.14%0.03819%0.191CC..EExtended strand (participates in β ladder)trans-126.3149.7169.3179.654.1000109.3N881 I888 L890 V923 K925 D926 L943 I944 M947W879-N881 HydrophobicContact CE3-CB 4.22Å; W879-N881 HydrophobicContact CH2-CB 3.78Å; W879-N881 WeakPolarHBondContact CH2-OD1 3.48Å; W879-N881 HydrophobicContact CZ2-CB 4.23Å; W879-N881 HydrophobicContact CZ3-CB 3.77Å; W879-I888 HydrophobicContact CE3-CB 4.48Å; W879-I888 HydrophobicContact CE3-CD1 3.97Å; W879-I888 HydrophobicContact CZ3-CD1 4Å; W879-I888 PolarHBondContact N-O 2.6Å; W879-I888 PolarHBondContact O-N 2.82Å; W879-L890 HydrophobicContact CB-CD1 4.11Å; W879-V923 HydrophobicContact CB-CG1 4.14Å; W879-V923 HydrophobicContact CG-CG1 4.19Å; W879-K925 PolarHBondContact NE1-O 2.92Å; W879-D926 PolarHBondContact NE1-OD1 3.02Å; W879-L943 HydrophobicContact CB-CD1 4.09Å; W879-L943 HydrophobicContact CD2-CB 4.14Å; W879-L943 HydrophobicContact CD2-CD1 3.5Å; W879-L943 VanDerWaalsContact CD2-CD1 3.5Å; W879-L943 HydrophobicContact CD2-CG 4.43Å; W879-L943 HydrophobicContact CE3-CB 4.16Å; W879-L943 HydrophobicContact CE3-CD1 3.97Å; W879-L943 HydrophobicContact CG-CD1 3.55Å; W879-L943 HydrophobicContact CH2-CB 3.7Å; W879-L943 HydrophobicContact CZ2-CB 3.63Å; W879-L943 HydrophobicContact CZ2-CD1 4.41Å; W879-L943 HydrophobicContact CZ3-CB 3.96Å; W879-I944 HydrophobicContact CH2-CG1 4.38Å; W879-I944 HydrophobicContact CZ2-CG1 3.99Å; W879-M947 HydrophobicContact CH2-CG 4.29Å; W879-M947 HydrophobicContact CZ3-CG 4.06Å
880V90.6Very high89.8Confident50 Ų5035.2 Ų35.230%0.30319%0.191SC..EExtended strand (participates in β ladder)trans-111.8117.8166.6-179.70000105.9P882 S886 Q887V880-P882 VanDerWaalsContact O-CD 3.32Å; V880-P882 WeakPolarHBondContact O-CD 3.49Å; V880-S886 WeakPolarHBondContact CA-O 3.16Å; V880-Q887 HydrophobicContact CG2-CG 4.42Å
881N87.3Confident90.2Very high10 Ų1031.8 Ų31.85%0.05317%0.169CC..  trans-68.8114.9-179.8179.610.4000109.4W879 E883 T884 L885 S886 I888W879-N881 HydrophobicContact CE3-CB 4.22Å; W879-N881 HydrophobicContact CH2-CB 3.78Å; W879-N881 WeakPolarHBondContact CH2-OD1 3.48Å; W879-N881 HydrophobicContact CZ2-CB 4.23Å; W879-N881 HydrophobicContact CZ3-CB 3.77Å; N881-E883 PolarHBondContact O-N 2.87Å; N881-E883 VanDerWaalsContact O-N 3.08Å; N881-E883 PolarHBondContact OD1-N 3.01Å; N881-T884 WeakPolarHBondContact ND2-CG2 3.25Å; N881-T884 PolarHBondContact ND2-OG1 3.12Å; N881-T884 PolarHBondContact O-N 3.1Å; N881-L885 VanDerWaalsContact O-CA 3.25Å; N881-L885 WeakPolarHBondContact O-CA 3.32Å; N881-L885 PolarHBondContact O-N 3.33Å; N881-S886 PolarHBondContact N-O 2.84Å; N881-I888 HydrophobicContact CB-CD1 4.09Å
882P86.4Confident90.4Very high69 Ų6931.3 Ų31.345%0.44817%0.166SC..THydrogen-bonded Turntrans-68.8-10-176.630.7-37.1000113.4V880 D926 I944V880-P882 VanDerWaalsContact O-CD 3.32Å; V880-P882 WeakPolarHBondContact O-CD 3.49Å; P882-D926 WeakPolarHBondContact CD-OD1 3.32Å; P882-D926 WeakPolarHBondContact CG-OD1 3.47Å; P882-I944 HydrophobicContact CG-CD1 3.78Å; P882-I944 HydrophobicContact CG-CG1 4.19Å
883E82.1Confident90.7Very high89 Ų8925.6 Ų25.642%0.41614%0.142SC..THydrogen-bonded Turntrans-96.8-19.6179.5-56.1-167.9148.500114.1N881 I944 K948N881-E883 PolarHBondContact O-N 2.87Å; N881-E883 VanDerWaalsContact O-N 3.08Å; N881-E883 PolarHBondContact OD1-N 3.01Å; E883-I944 WeakPolarHBondContact OE1-CG2 3.29Å; E883-K948 WeakPolarHBondContact OE1-CE 3.44Å; E883-K948 IonicContact OE1-NZ 3.32Å; E883-K948 PolarHBondContact OE1-NZ 3.38Å; E883-K948 WeakPolarHBondContact OE2-CE 3.43Å; E883-K948 IonicContact OE2-NZ 3.79Å; E883-K948 PolarHBondContact OE2-NZ 3.18Å
884T82Confident90.7Very high83 Ų8327.9 Ų27.951%0.50915%0.154SC..THydrogen-bonded Turntrans-125.7-7.3178.364.60000113.8N881 S886N881-T884 WeakPolarHBondContact ND2-CG2 3.25Å; N881-T884 PolarHBondContact ND2-OG1 3.12Å; N881-T884 PolarHBondContact O-N 3.1Å; T884-S886 PolarHBondContact O-N 2.9Å; T884-S886 VanDerWaalsContact OG1-CB 3.28Å; T884-S886 WeakPolarHBondContact OG1-CB 3.35Å; T884-S886 PolarHBondContact OG1-N 3.39Å; T884-S886 PolarHBondContact OG1-OG 2.9Å
885L83.9Confident90.5Very high115 Ų11531.6 Ų31.660%0.60217%0.174SC*.  trans56.75.9-168.7-53.2-179.2000115.1N881 Q887N881-L885 VanDerWaalsContact O-CA 3.25Å; N881-L885 WeakPolarHBondContact O-CA 3.32Å; N881-L885 PolarHBondContact O-N 3.33Å; L885-Q887 PolarHBondContact O-N 3.13Å
886S82.6Confident90.6Very high8 Ų831.6 Ų31.66%0.05617%0.173CC..  trans-52.7127.7172.3-63.80000111.1V880 N881 T884 D901V880-S886 WeakPolarHBondContact CA-O 3.16Å; N881-S886 PolarHBondContact N-O 2.84Å; T884-S886 PolarHBondContact O-N 2.9Å; T884-S886 VanDerWaalsContact OG1-CB 3.28Å; T884-S886 WeakPolarHBondContact OG1-CB 3.35Å; T884-S886 PolarHBondContact OG1-N 3.39Å; T884-S886 PolarHBondContact OG1-OG 2.9Å; S886-D901 WeakPolarHBondContact CB-OD2 3.39Å; S886-D901 PolarHBondContact OG-OD2 3.04Å
887Q87.5Confident90.6Very high54 Ų5431 Ų3125%0.25217%0.17SC..EExtended strand (participates in β ladder)trans-79.2121.8163.2-59.4-164.330.400108.7V880 L885 L902V880-Q887 HydrophobicContact CG2-CG 4.42Å; L885-Q887 PolarHBondContact O-N 3.13Å; Q887-L902 HydrophobicContact CB-CB 4.3Å; Q887-L902 HydrophobicContact CB-CD1 4.23Å; Q887-L902 WeakPolarHBondContact O-CB 3.22Å; Q887-L902 PolarHBondContact O-N 3.24Å
888I90.7Very high90.5Very high3 Ų331.3 Ų31.32%0.01517%0.17CC..EExtended strand (participates in β ladder)trans-123.4129.2-173.2-63178.4000109.2T878 W879 N881 L890 Y899 L900 D901 M947T878-I888 WeakPolarHBondContact CA-O 3.18Å; W879-I888 HydrophobicContact CE3-CB 4.48Å; W879-I888 HydrophobicContact CE3-CD1 3.97Å; W879-I888 HydrophobicContact CZ3-CD1 4Å; W879-I888 PolarHBondContact N-O 2.6Å; W879-I888 PolarHBondContact O-N 2.82Å; N881-I888 HydrophobicContact CB-CD1 4.09Å; I888-L890 HydrophobicContact CG2-CG 4.46Å; I888-Y899 HydrophobicContact CG2-CD2 4.07Å; I888-Y899 HydrophobicContact CG2-CG 4.19Å; I888-L900 WeakPolarHBondContact CA-O 3.21Å; I888-D901 HydrophobicContact CG1-CB 4.4Å; I888-M947 HydrophobicContact CD1-CE 4.21Å
889I92.9Very high90.5Very high0 Ų031.9 Ų31.90%017%0.172CC..EExtended strand (participates in β ladder)trans-96.7128.2167-58.3-179.4000108.4I865 T876 F891 Y899 L900 L902 V1174 I1191I865-I889 HydrophobicContact CD1-CD1 4.01Å; T876-I889 HydrophobicContact CG2-CG2 4.42Å; I889-F891 HydrophobicContact CB-CE2 3.76Å; I889-F891 HydrophobicContact CB-CZ 3.86Å; I889-F891 HydrophobicContact CG2-CD1 4.43Å; I889-F891 HydrophobicContact CG2-CD2 4.16Å; I889-F891 HydrophobicContact CG2-CE1 3.85Å; I889-F891 HydrophobicContact CG2-CE2 3.55Å; I889-F891 HydrophobicContact CG2-CZ 3.38Å; I889-F891 WeakPolarHBondContact O-CD2 3.43Å; I889-F891 WeakPolarHBondContact O-CE2 3.45Å; I889-Y899 CarbonylContact O-C 3.54Å; I889-Y899 VanDerWaalsContact O-CA 3.23Å; I889-Y899 WeakPolarHBondContact O-CA 3.5Å; I889-L900 PolarHBondContact N-O 2.85Å; I889-L900 PolarHBondContact O-N 3.35Å; I889-L902 HydrophobicContact CD1-CD1 4.02Å; I889-L902 HydrophobicContact CD1-CD2 4.11Å; I889-L902 HydrophobicContact CD1-CG 4.42Å; I889-L902 HydrophobicContact CG1-CD1 4.06Å; I889-L902 HydrophobicContact CG1-CD2 4.43Å; I889-L902 HydrophobicContact CG1-CG 4.33Å; I889-V1174 HydrophobicContact CD1-CG2 4Å; I889-V1174 HydrophobicContact CG2-CG2 4.37Å; I889-I1191 HydrophobicContact CD1-CD1 3.68Å; I889-I1191 HydrophobicContact CD1-CG1 4.2Å
890L95.4Very high90.4Very high2 Ų231.6 Ų31.61%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-99.8129.5175.8-73.9154.3000109.2T876 A877 W879 I888 I897 Y898 L913 L921 V923 M928 L943T876-L890 WeakPolarHBondContact CA-O 3.3Å; T876-L890 WeakPolarHBondContact CB-O 3.49Å; A877-L890 PolarHBondContact N-O 2.84Å; A877-L890 VanDerWaalsContact N-O 3.13Å; A877-L890 PolarHBondContact O-N 2.82Å; W879-L890 HydrophobicContact CB-CD1 4.11Å; I888-L890 HydrophobicContact CG2-CG 4.46Å; L890-I897 HydrophobicContact CD2-CG2 4.1Å; L890-Y898 WeakPolarHBondContact CA-O 3.2Å; L890-L913 HydrophobicContact CD2-CD2 3.64Å; L890-L921 HydrophobicContact CB-CD1 4.07Å; L890-L921 HydrophobicContact CB-CD2 4.4Å; L890-V923 HydrophobicContact CD1-CG2 3.72Å; L890-M928 HydrophobicContact CD1-SD 4.12Å; L890-M928 HydrophobicContact CD2-SD 4.37Å; L890-L943 HydrophobicContact CD1-CD1 3.98Å; L890-L943 HydrophobicContact CD1-CD2 4.09Å
891F95.7Very high90.2Very high1 Ų130.4 Ų30.40%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-115109.5-176.6-60-93.5000110.1I865 V873 T876 I889 T893 I897 Y898 L900 L910 V1174 L1189I865-F891 HydrophobicContact CD1-CZ 4.23Å; V873-F891 HydrophobicContact CG1-CB 4.5Å; V873-F891 HydrophobicContact CG1-CD1 4.1Å; V873-F891 HydrophobicContact CG2-CD1 4.24Å; T876-F891 HydrophobicContact CG2-CD1 3.42Å; T876-F891 VanDerWaalsContact CG2-CD1 3.42Å; T876-F891 HydrophobicContact CG2-CE1 3.78Å; T876-F891 HydrophobicContact CG2-CG 4.21Å; I889-F891 HydrophobicContact CB-CE2 3.76Å; I889-F891 HydrophobicContact CB-CZ 3.86Å; I889-F891 HydrophobicContact CG2-CD1 4.43Å; I889-F891 HydrophobicContact CG2-CD2 4.16Å; I889-F891 HydrophobicContact CG2-CE1 3.85Å; I889-F891 HydrophobicContact CG2-CE2 3.55Å; I889-F891 HydrophobicContact CG2-CZ 3.38Å; I889-F891 WeakPolarHBondContact O-CD2 3.43Å; I889-F891 WeakPolarHBondContact O-CE2 3.45Å; F891-T893 HydrophobicContact CB-CG2 4.24Å; F891-I897 WeakPolarHBondContact O-CA 3.49Å; F891-Y898 PolarHBondContact N-O 2.72Å; F891-Y898 PolarHBondContact O-N 3.21Å; F891-L900 HydrophobicContact CE2-CB 3.81Å; F891-L910 HydrophobicContact CD2-CD2 3.62Å; F891-L910 HydrophobicContact CE2-CD2 3.69Å; F891-L910 HydrophobicContact CG-CD2 4.33Å; F891-L910 HydrophobicContact CZ-CD2 4.44Å; F891-V1174 HydrophobicContact CE1-CG1 4.3Å; F891-L1189 HydrophobicContact CD1-CD1 4.21Å; F891-L1189 HydrophobicContact CE1-CD1 3.73Å; F891-L1189 HydrophobicContact CZ-CD1 4.1Å
892G95.7Very high89.9Confident0 Ų030.6 Ų30.60%016%0.164CC..EExtended strand (participates in β ladder)trans-80.6117.7170.600000109.7N874 S875 C918N874-G892 PolarHBondContact N-O 3.15Å; S875-G892 PolarHBondContact N-O 3.02Å; S875-G892 PolarHBondContact O-N 3.49Å; G892-C918 CarbonylContact C-O 3.47Å
893T95.8Very high89.2Confident0 Ų031.6 Ų31.60%017%0.168CC..EExtended strand (participates in β ladder)trans-130.4170.5-172.269.70000111.1L871 K872 V873 F891 D895 G896 Y898 C918L871-T893 HydrophobicContact CB-CG2 3.92Å; L871-T893 HydrophobicContact CD1-CG2 4.05Å; K872-T893 VanDerWaalsContact O-CA 3.27Å; K872-T893 WeakPolarHBondContact O-CA 3.3Å; K872-T893 WeakPolarHBondContact O-CB 3.42Å; V873-T893 HydrophobicContact CB-CG2 4.48Å; V873-T893 HydrophobicContact CG2-CG2 4.06Å; F891-T893 HydrophobicContact CB-CG2 4.24Å; T893-D895 PolarHBondContact O-N 2.73Å; T893-D895 PolarHBondContact OG1-N 3.07Å; T893-G896 PolarHBondContact N-O 3.03Å; T893-G896 PolarHBondContact OG1-N 3.26Å; T893-G896 VanDerWaalsContact OG1-N 3.1Å; T893-G896 PolarHBondContact OG1-O 3.4Å; T893-Y898 HydrophobicContact CG2-CD2 4.2Å; T893-C918 CarbonylContact C-O 3.5Å; T893-C918 PolarHBondContact N-O 2.87Å; T893-C918 PolarHBondContact O-N 2.78Å; T893-C918 VanDerWaalsContact O-O 3.1Å
894N92.4Very high88.3Confident49 Ų4931.3 Ų31.326%0.26217%0.17SC..SBendtrans-62.5-23.7176.5-84.3-22.3000114.4K872 N874 R917K872-N894 PolarHBondContact O-N 2.8Å; N874-N894 PolarHBondContact ND2-N 2.98Å; N874-N894 PolarHBondContact ND2-OD1 3Å; N874-N894 VanDerWaalsContact ND2-OD1 3.13Å; N894-R917 VanDerWaalsContact O-CA 3.24Å; N894-R917 WeakPolarHBondContact O-CA 3.37Å; N894-R917 WeakPolarHBondContact O-CB 3.34Å; N894-R917 WeakPolarHBondContact O-CG 3.5Å; N894-R917 PolarHBondContact OD1-NE 2.94Å; N894-R917 PolarHBondContact OD1-NH2 2.93Å
895D90.3Very high87.5Confident97 Ų9729.7 Ų29.752%0.51916%0.157SC..SBendtrans-101.5-29.1-175.7-51.1-70.6000112.8L871 T893 Y898L871-D895 HydrophobicContact CD2-CB 4.45Å; T893-D895 PolarHBondContact O-N 2.73Å; T893-D895 PolarHBondContact OG1-N 3.07Å; D895-Y898 HydrophobicContact CB-CE2 4.49Å
896G93.8Very high85.7Confident0 Ų026.5 Ų26.50%015%0.148CC..  trans-171.8178.4-174.500000115.3T893 V914 R916T893-G896 PolarHBondContact N-O 3.03Å; T893-G896 PolarHBondContact OG1-N 3.26Å; T893-G896 VanDerWaalsContact OG1-N 3.1Å; T893-G896 PolarHBondContact OG1-O 3.4Å; G896-V914 CarbonylContact C-O 3.56Å; G896-V914 WeakPolarHBondContact CA-O 3.35Å; G896-R916 CarbonylContact C-O 3.58Å; G896-R916 VanDerWaalsContact CA-O 3.25Å; G896-R916 WeakPolarHBondContact CA-O 3.4Å
897I95.8Very high84.2Confident0 Ų031 Ų310%017%0.171CC..EExtended strand (participates in β ladder)trans-95.5115.8156.7-54.2177.5000106.9L890 F891 L913 V914 C918 L921 M928L890-I897 HydrophobicContact CD2-CG2 4.1Å; F891-I897 WeakPolarHBondContact O-CA 3.49Å; I897-L913 WeakPolarHBondContact O-CA 3.41Å; I897-L913 WeakPolarHBondContact O-CB 3.2Å; I897-L913 PolarHBondContact O-N 3.01Å; I897-V914 HydrophobicContact CB-CB 4Å; I897-V914 HydrophobicContact CB-CG2 4.27Å; I897-V914 HydrophobicContact CD1-CB 4.23Å; I897-V914 HydrophobicContact CD1-CG2 4.22Å; I897-V914 HydrophobicContact CG1-CB 4.18Å; I897-V914 PolarHBondContact N-O 2.85Å; I897-V914 PolarHBondContact O-N 3.28Å; I897-C918 HydrophobicContact CD1-CB 4.12Å; I897-C918 HydrophobicContact CG1-CB 3.49Å; I897-C918 VanDerWaalsContact CG1-CB 3.49Å; I897-L921 HydrophobicContact CD1-CD2 4.33Å; I897-L921 HydrophobicContact CG1-CD2 4.31Å; I897-L921 HydrophobicContact CG2-CD2 3.79Å; I897-M928 HydrophobicContact CD1-CE 3.52Å; I897-M928 HydrophobicContact CD1-SD 4.02Å; I897-M928 HydrophobicContact CG2-CE 4.17Å; I897-M928 HydrophobicContact CG2-SD 4.1Å
898Y94.2Very high82.8Confident11 Ų1129 Ų294%0.04317%0.165CC..EExtended strand (participates in β ladder)trans-102.7166.8174.4-68.9-101.8000110.4I562 L871 L890 F891 T893 D895 L910 E911 L912I562-Y898 HydrophobicContact CD1-CE1 4.14Å; I562-Y898 HydrophobicContact CG1-CE1 4.46Å; L871-Y898 HydrophobicContact CD1-CD1 4Å; L871-Y898 HydrophobicContact CD1-CD2 3.48Å; L871-Y898 VanDerWaalsContact CD1-CD2 3.48Å; L871-Y898 HydrophobicContact CD1-CE1 4.04Å; L871-Y898 HydrophobicContact CD1-CE2 3.51Å; L871-Y898 HydrophobicContact CD1-CG 3.73Å; L871-Y898 HydrophobicContact CD2-CE2 3.75Å; L871-Y898 HydrophobicContact CG-CE2 4.3Å; L890-Y898 WeakPolarHBondContact CA-O 3.2Å; F891-Y898 PolarHBondContact N-O 2.72Å; F891-Y898 PolarHBondContact O-N 3.21Å; T893-Y898 HydrophobicContact CG2-CD2 4.2Å; D895-Y898 HydrophobicContact CB-CE2 4.49Å; Y898-L910 HydrophobicContact CD1-CB 4.24Å; Y898-E911 CarbonylContact C-O 3.49Å; Y898-E911 WeakPolarHBondContact CA-O 3.45Å; Y898-L912 HydrophobicContact CD1-CB 3.99Å; Y898-L912 HydrophobicContact CD1-CD1 4.27Å; Y898-L912 HydrophobicContact CD2-CD1 4.02Å; Y898-L912 HydrophobicContact CE1-CB 3.74Å; Y898-L912 HydrophobicContact CE1-CD1 4Å; Y898-L912 HydrophobicContact CE1-CG 4.4Å; Y898-L912 HydrophobicContact CE2-CD1 3.75Å; Y898-L912 HydrophobicContact CG-CD1 4.28Å
899Y92.7Very high81.9Confident19 Ų1929.6 Ų29.68%0.07517%0.169CC..EExtended strand (participates in β ladder)trans-137.2159.9167.572.3-90.6000113.2I888 I889 E911 L913 M947 R950I888-Y899 HydrophobicContact CG2-CD2 4.07Å; I888-Y899 HydrophobicContact CG2-CG 4.19Å; I889-Y899 CarbonylContact O-C 3.54Å; I889-Y899 VanDerWaalsContact O-CA 3.23Å; I889-Y899 WeakPolarHBondContact O-CA 3.5Å; Y899-E911 HydrophobicContact CD1-CB 3.96Å; Y899-E911 WeakPolarHBondContact CD1-O 3.31Å; Y899-E911 HydrophobicContact CD2-CB 4.44Å; Y899-E911 HydrophobicContact CE1-CB 3.55Å; Y899-E911 HydrophobicContact CE2-CB 4.01Å; Y899-E911 HydrophobicContact CE2-CG 4.46Å; Y899-E911 HydrophobicContact CG-CB 4.41Å; Y899-E911 VanDerWaalsContact CZ-OE1 3.31Å; Y899-E911 PolarHBondContact N-O 3.16Å; Y899-E911 PolarHBondContact O-N 3.01Å; Y899-E911 VanDerWaalsContact OH-CD 3.25Å; Y899-E911 PolarHBondContact OH-OE1 3.45Å; Y899-L913 HydrophobicContact CD1-CB 4.07Å; Y899-L913 HydrophobicContact CD1-CD1 4.48Å; Y899-L913 HydrophobicContact CE1-CD1 4.39Å; Y899-M947 HydrophobicContact CE1-CE 4.15Å; Y899-M947 HydrophobicContact CE1-SD 4.01Å; Y899-M947 HydrophobicContact CE2-CE 4.02Å; Y899-R950 PolarHBondContact OH-NH1 3.05Å
900L90.1Very high81.5Confident4 Ų429.6 Ų29.62%0.02117%0.169CC..EExtended strand (participates in β ladder)trans-128131.1167.1-17568.6000108.1I865 I888 I889 F891 L902 L905 T909 L910I865-L900 HydrophobicContact CB-CD2 4.16Å; I865-L900 HydrophobicContact CD1-CD2 4.12Å; I865-L900 HydrophobicContact CG1-CD2 4.49Å; I888-L900 WeakPolarHBondContact CA-O 3.21Å; I889-L900 PolarHBondContact N-O 2.85Å; I889-L900 PolarHBondContact O-N 3.35Å; F891-L900 HydrophobicContact CE2-CB 3.81Å; L900-L902 HydrophobicContact CD2-CD2 4.21Å; L900-L905 HydrophobicContact CD1-CD2 4.44Å; L900-L905 HydrophobicContact CD2-CD2 4.06Å; L900-L905 HydrophobicContact CG-CD2 4.42Å; L900-T909 WeakPolarHBondContact CD1-O 3.42Å; L900-L910 HydrophobicContact CB-CD2 4.12Å
901D86.3Confident81.2Confident25 Ų2531.8 Ų31.813%0.13418%0.179CC..EExtended strand (participates in β ladder)trans-89.8117.4169.6-176.7-20.9000108.6S886 I888 V903 N904 L905S886-D901 WeakPolarHBondContact CB-OD2 3.39Å; S886-D901 PolarHBondContact OG-OD2 3.04Å; I888-D901 HydrophobicContact CG1-CB 4.4Å; D901-V903 VanDerWaalsContact C-N 3.3Å; D901-V903 PolarHBondContact O-N 3.07Å; D901-V903 WeakPolarHBondContact OD1-CA 3.18Å; D901-V903 WeakPolarHBondContact OD1-CB 3.29Å; D901-V903 PolarHBondContact OD1-N 3.32Å; D901-N904 HydrophobicContact CB-CB 4.12Å; D901-N904 CarbonylContact O-C 3.55Å; D901-N904 PolarHBondContact O-N 3.15Å; D901-N904 PolarHBondContact OD1-N 3.07Å; D901-N904 VanDerWaalsContact OD1-N 3.14Å; D901-N904 PolarHBondContact OD2-ND2 2.76Å; D901-L905 PolarHBondContact O-N 3.25Å; D901-L905 VanDerWaalsContact O-N 3.16Å
902L81.4Confident80.9Confident14 Ų1432.4 Ų32.47%0.07318%0.183CC..SBendtrans-73.1-22.8-178.4-61.4179.5000112.8Y748 I865 Q887 I889 L900 L905 I1191Y748-L902 PolarHBondContact OH-O 2.76Å; I865-L902 HydrophobicContact CG2-CD2 4.33Å; Q887-L902 HydrophobicContact CB-CB 4.3Å; Q887-L902 HydrophobicContact CB-CD1 4.23Å; Q887-L902 WeakPolarHBondContact O-CB 3.22Å; Q887-L902 PolarHBondContact O-N 3.24Å; I889-L902 HydrophobicContact CD1-CD1 4.02Å; I889-L902 HydrophobicContact CD1-CD2 4.11Å; I889-L902 HydrophobicContact CD1-CG 4.42Å; I889-L902 HydrophobicContact CG1-CD1 4.06Å; I889-L902 HydrophobicContact CG1-CD2 4.43Å; I889-L902 HydrophobicContact CG1-CG 4.33Å; L900-L902 HydrophobicContact CD2-CD2 4.21Å; L902-L905 WeakPolarHBondContact O-CD1 3.46Å; L902-I1191 HydrophobicContact CD1-CD1 4.2Å; L902-I1191 HydrophobicContact CD2-CD1 4.31Å
903V71.6Confident80.8Confident89 Ų8933.1 Ų33.154%0.53919%0.186SC..THydrogen-bonded Turntrans-78.9-38.6174.4-1760000109.7D901D901-V903 VanDerWaalsContact C-N 3.3Å; D901-V903 PolarHBondContact O-N 3.07Å; D901-V903 WeakPolarHBondContact OD1-CA 3.18Å; D901-V903 WeakPolarHBondContact OD1-CB 3.29Å; D901-V903 PolarHBondContact OD1-N 3.32Å
904N62.5Low80.6Confident84 Ų8433.5 Ų33.545%0.44919%0.188SC..THydrogen-bonded Turntrans-100.144.3176.1-60.5-73.6000112.3D901 A906D901-N904 HydrophobicContact CB-CB 4.12Å; D901-N904 CarbonylContact O-C 3.55Å; D901-N904 PolarHBondContact O-N 3.15Å; D901-N904 PolarHBondContact OD1-N 3.07Å; D901-N904 VanDerWaalsContact OD1-N 3.14Å; D901-N904 PolarHBondContact OD2-ND2 2.76Å; N904-A906 PolarHBondContact O-N 2.85Å; N904-A906 VanDerWaalsContact O-N 3.09Å
905L65.8Low80.6Confident48 Ų4836 Ų3625%0.25121%0.207SC..  trans-55.9-21.4167.5-85.9164.8000112.3L900 D901 L902 D907 G908L900-L905 HydrophobicContact CD1-CD2 4.44Å; L900-L905 HydrophobicContact CD2-CD2 4.06Å; L900-L905 HydrophobicContact CG-CD2 4.42Å; D901-L905 PolarHBondContact O-N 3.25Å; D901-L905 VanDerWaalsContact O-N 3.16Å; L902-L905 WeakPolarHBondContact O-CD1 3.46Å; L905-D907 PolarHBondContact O-N 2.86Å; L905-G908 PolarHBondContact O-N 3.42Å
906A46.6Very low80.6Confident48 Ų4837.2 Ų37.240%0.39721%0.205SC..THydrogen-bonded Turntrans-67.632.9175.500000115.6Y309 N904Y309-A906 HydrophobicContact CD2-CB 3.85Å; Y309-A906 VanDerWaalsContact CE2-C 3.41Å; Y309-A906 VanDerWaalsContact CE2-CA 3.41Å; Y309-A906 HydrophobicContact CE2-CB 3.66Å; Y309-A906 WeakPolarHBondContact CE2-O 3.45Å; Y309-A906 VanDerWaalsContact CZ-CA 3.48Å; Y309-A906 PolarHBondContact OH-O 2.92Å; N904-A906 PolarHBondContact O-N 2.85Å; N904-A906 VanDerWaalsContact O-N 3.09Å
907D50Low80.6Confident102 Ų10241.6 Ų41.655%0.54522%0.221SC..THydrogen-bonded Turntrans-135.9-21.3160.9-112.1-52000111.2Y309 L905 T909Y309-D907 VanDerWaalsContact OH-CA 3.23Å; Y309-D907 WeakPolarHBondContact OH-CA 3.26Å; Y309-D907 PolarHBondContact OH-N 3.27Å; L905-D907 PolarHBondContact O-N 2.86Å; D907-T909 VanDerWaalsContact C-N 3.27Å; D907-T909 HydrophobicContact CB-CG2 4.29Å; D907-T909 VanDerWaalsContact O-CG2 3.24Å; D907-T909 WeakPolarHBondContact O-CG2 3.2Å; D907-T909 PolarHBondContact O-N 3.22Å
908G59.4Low80.6Confident13 Ų1341.6 Ų41.613%0.13422%0.221CC..  trans60.130.4179.200000114.4F866 L905F866-G908 WeakPolarHBondContact CE2-O 3.39Å; L905-G908 PolarHBondContact O-N 3.42Å
909T71.7Confident80.5Confident15 Ų1541.4 Ų41.49%0.09222%0.221CC..EExtended strand (participates in β ladder)trans-115.9139.1-174.473.40000113.8I561 I562 R563 L900 D907I561-T909 HydrophobicContact CG2-CG2 3.77Å; I562-T909 WeakPolarHBondContact O-CA 3.4Å; R563-T909 HydrophobicContact CB-CG2 4.46Å; R563-T909 HydrophobicContact CG-CG2 3.78Å; L900-T909 WeakPolarHBondContact CD1-O 3.42Å; D907-T909 VanDerWaalsContact C-N 3.27Å; D907-T909 HydrophobicContact CB-CG2 4.29Å; D907-T909 VanDerWaalsContact O-CG2 3.24Å; D907-T909 WeakPolarHBondContact O-CG2 3.2Å; D907-T909 PolarHBondContact O-N 3.22Å
910L85.1Confident80.7Confident1 Ų141.1 Ų41.11%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-90.6113.4164.2-79.6163.6000108.6I562 F866 C869 L871 F891 Y898 L900 L1189I562-L910 HydrophobicContact CB-CB 4.49Å; I562-L910 PolarHBondContact N-O 3.42Å; I562-L910 PolarHBondContact O-N 2.7Å; F866-L910 HydrophobicContact CD1-CD1 4.11Å; F866-L910 HydrophobicContact CD2-CD1 3.87Å; F866-L910 HydrophobicContact CD2-CG 3.79Å; F866-L910 HydrophobicContact CE1-CD1 4.05Å; F866-L910 HydrophobicContact CE2-CB 4.23Å; F866-L910 HydrophobicContact CE2-CD1 3.8Å; F866-L910 HydrophobicContact CE2-CG 3.66Å; F866-L910 HydrophobicContact CG-CD1 4.02Å; F866-L910 HydrophobicContact CG-CG 4.42Å; F866-L910 HydrophobicContact CZ-CD1 3.9Å; F866-L910 HydrophobicContact CZ-CG 4.2Å; C869-L910 VanDerWaalsContact SG-CD1 3.58Å; L871-L910 HydrophobicContact CD1-CD1 4.37Å; F891-L910 HydrophobicContact CD2-CD2 3.62Å; F891-L910 HydrophobicContact CE2-CD2 3.69Å; F891-L910 HydrophobicContact CG-CD2 4.33Å; F891-L910 HydrophobicContact CZ-CD2 4.44Å; Y898-L910 HydrophobicContact CD1-CB 4.24Å; L900-L910 HydrophobicContact CB-CD2 4.12Å; L910-L1189 HydrophobicContact CD1-CD1 4.02Å
911E87.7Confident80.9Confident48 Ų4841.2 Ų41.222%0.22422%0.22CC..EExtended strand (participates in β ladder)trans-96.2126.6-175-78.9-146-93.500112.3Y898 Y899 L913 R950Y898-E911 CarbonylContact C-O 3.49Å; Y898-E911 WeakPolarHBondContact CA-O 3.45Å; Y899-E911 HydrophobicContact CD1-CB 3.96Å; Y899-E911 WeakPolarHBondContact CD1-O 3.31Å; Y899-E911 HydrophobicContact CD2-CB 4.44Å; Y899-E911 HydrophobicContact CE1-CB 3.55Å; Y899-E911 HydrophobicContact CE2-CB 4.01Å; Y899-E911 HydrophobicContact CE2-CG 4.46Å; Y899-E911 HydrophobicContact CG-CB 4.41Å; Y899-E911 VanDerWaalsContact CZ-OE1 3.31Å; Y899-E911 PolarHBondContact N-O 3.16Å; Y899-E911 PolarHBondContact O-N 3.01Å; Y899-E911 VanDerWaalsContact OH-CD 3.25Å; Y899-E911 PolarHBondContact OH-OE1 3.45Å; E911-L913 PolarHBondContact O-N 3.43Å; E911-R950 IonicContact OE1-NH1 3.74Å; E911-R950 IonicContact OE2-CZ 2.64Å; E911-R950 IonicContact OE2-NH1 3.76Å; E911-R950 PolarHBondContact OE2-NH1 3.15Å; E911-R950 IonicContact OE2-NH2 2.79Å; E911-R950 PolarHBondContact OE2-NH2 2.92Å
912L90.7Very high81.4Confident14 Ų1441 Ų417%0.07322%0.218CC..EExtended strand (participates in β ladder)trans-71.4119.2177.7-175.564.2000111.9P559 P560 Y898 V914 P915 R950P559-L912 HydrophobicContact CB-CB 4.36Å; P560-L912 HydrophobicContact CG-CD2 3.87Å; Y898-L912 HydrophobicContact CD1-CB 3.99Å; Y898-L912 HydrophobicContact CD1-CD1 4.27Å; Y898-L912 HydrophobicContact CD2-CD1 4.02Å; Y898-L912 HydrophobicContact CE1-CB 3.74Å; Y898-L912 HydrophobicContact CE1-CD1 4Å; Y898-L912 HydrophobicContact CE1-CG 4.4Å; Y898-L912 HydrophobicContact CE2-CD1 3.75Å; Y898-L912 HydrophobicContact CG-CD1 4.28Å; L912-V914 WeakPolarHBondContact CD1-O 3.11Å; L912-P915 HydrophobicContact CD2-CB 4Å; L912-R950 PolarHBondContact O-NE 3.04Å; L912-R950 PolarHBondContact O-NH2 2.75Å
913L92.1Very high82Confident15 Ų1540.9 Ų40.98%0.07922%0.218CC..EExtended strand (participates in β ladder)trans-95-44.8175.4-170.861.5000112.2L890 I897 Y899 E911 L943 L946 M947L890-L913 HydrophobicContact CD2-CD2 3.64Å; I897-L913 WeakPolarHBondContact O-CA 3.41Å; I897-L913 WeakPolarHBondContact O-CB 3.2Å; I897-L913 PolarHBondContact O-N 3.01Å; Y899-L913 HydrophobicContact CD1-CB 4.07Å; Y899-L913 HydrophobicContact CD1-CD1 4.48Å; Y899-L913 HydrophobicContact CE1-CD1 4.39Å; E911-L913 PolarHBondContact O-N 3.43Å; L913-L943 HydrophobicContact CD2-CD2 4.05Å; L913-L946 HydrophobicContact CD1-CB 3.97Å; L913-L946 HydrophobicContact CD2-CD1 4.36Å; L913-L946 HydrophobicContact CG-CB 4.47Å; L913-L946 HydrophobicContact CG-CD1 4.31Å; L913-M947 HydrophobicContact CD1-SD 3.72Å
914V92.5Very high83Confident7 Ų739 Ų394%0.04220%0.203CC..EExtended strand (participates in β ladder)trans-134.1114.1-178.3-173.30000110.2G896 I897 L912 R916 L946G896-V914 CarbonylContact C-O 3.56Å; G896-V914 WeakPolarHBondContact CA-O 3.35Å; I897-V914 HydrophobicContact CB-CB 4Å; I897-V914 HydrophobicContact CB-CG2 4.27Å; I897-V914 HydrophobicContact CD1-CB 4.23Å; I897-V914 HydrophobicContact CD1-CG2 4.22Å; I897-V914 HydrophobicContact CG1-CB 4.18Å; I897-V914 PolarHBondContact N-O 2.85Å; I897-V914 PolarHBondContact O-N 3.28Å; L912-V914 WeakPolarHBondContact CD1-O 3.11Å; V914-R916 HydrophobicContact CG1-CB 4.13Å; V914-R916 HydrophobicContact CG1-CG 4.05Å; V914-R916 PolarHBondContact O-N 2.86Å; V914-L946 HydrophobicContact CG2-CD1 4.08Å
915P91.8Very high84.4Confident101 Ų10139.2 Ų39.266%0.65620%0.199SC*.  trans-77.365.3178.532.7-36.6000111.6L912L912-P915 HydrophobicContact CD2-CB 4Å
916R90.3Very high85.7Confident123 Ų12338.8 Ų38.846%0.46420%0.198SC..SBendtrans-148.4130.2176.5-63.1-177.9-179-82.9-5.6109.4G896 V914 C918G896-R916 CarbonylContact C-O 3.58Å; G896-R916 VanDerWaalsContact CA-O 3.25Å; G896-R916 WeakPolarHBondContact CA-O 3.4Å; V914-R916 HydrophobicContact CG1-CB 4.13Å; V914-R916 HydrophobicContact CG1-CG 4.05Å; V914-R916 PolarHBondContact O-N 2.86Å; R916-C918 PolarHBondContact O-N 3.23Å; R916-C918 VanDerWaalsContact O-N 3.16Å
917R94.1Very high88Confident93 Ų9336.8 Ų36.835%0.35118%0.18SC..  trans-40.1120.3164.3179.2156.9-170.1-136.2-2110.7N894 L919 S932 G933N894-R917 VanDerWaalsContact O-CA 3.24Å; N894-R917 WeakPolarHBondContact O-CA 3.37Å; N894-R917 WeakPolarHBondContact O-CB 3.34Å; N894-R917 WeakPolarHBondContact O-CG 3.5Å; N894-R917 PolarHBondContact OD1-NE 2.94Å; N894-R917 PolarHBondContact OD1-NH2 2.93Å; R917-L919 HydrophobicContact CG-CD2 4.26Å; R917-S932 CarbonylContact O-C 3.57Å; R917-S932 WeakPolarHBondContact O-CA 3.48Å; R917-G933 PolarHBondContact O-N 3.43Å
918C95.8Very high90.2Very high0 Ų032 Ų320%015%0.154CC..EExtended strand (participates in β ladder)trans-122.1128.6179.4-179.90000109N874 G892 T893 I897 R916 W920N874-C918 PolarHBondContact ND2-O 3.27Å; G892-C918 CarbonylContact C-O 3.47Å; T893-C918 CarbonylContact C-O 3.5Å; T893-C918 PolarHBondContact N-O 2.87Å; T893-C918 PolarHBondContact O-N 2.78Å; T893-C918 VanDerWaalsContact O-O 3.1Å; I897-C918 HydrophobicContact CD1-CB 4.12Å; I897-C918 HydrophobicContact CG1-CB 3.49Å; I897-C918 VanDerWaalsContact CG1-CB 3.49Å; R916-C918 PolarHBondContact O-N 3.23Å; R916-C918 VanDerWaalsContact O-N 3.16Å; C918-W920 PolarHBondContact SG-O 3.17Å
919L93.3Very high92Very high7 Ų731.4 Ų31.44%0.03715%0.148CC..EExtended strand (participates in β ladder)trans-98.6-48-178.5-58.7-175.9000111L383 I385 N874 S875 R917 I931 P936L383-L919 HydrophobicContact CD1-CB 4.28Å; L383-L919 WeakPolarHBondContact CD1-O 3.41Å; I385-L919 HydrophobicContact CD1-CD1 3.47Å; I385-L919 VanDerWaalsContact CD1-CD1 3.47Å; I385-L919 HydrophobicContact CG1-CD1 4.42Å; N874-L919 VanDerWaalsContact CB-O 3.27Å; N874-L919 WeakPolarHBondContact CB-O 3.37Å; S875-L919 WeakPolarHBondContact CB-O 3.42Å; S875-L919 PolarHBondContact OG-O 3.43Å; R917-L919 HydrophobicContact CG-CD2 4.26Å; L919-I931 HydrophobicContact CB-CG2 4.31Å; L919-I931 HydrophobicContact CD1-CG2 4.31Å; L919-I931 PolarHBondContact N-O 2.84Å; L919-P936 HydrophobicContact CD1-CB 4.2Å; L919-P936 HydrophobicContact CD1-CG 3.81Å
920W95.4Very high93.2Very high12 Ų1230.7 Ų30.75%0.04514%0.144CC..EExtended strand (participates in β ladder)trans-133.1141179.6173.690.8000108.9S875 C918 F922 M929 S930 I931 L938 A976 V978 L989S875-W920 WeakPolarHBondContact OG-CA 3.38Å; C918-W920 PolarHBondContact SG-O 3.17Å; W920-F922 HydrophobicContact CH2-CB 3.52Å; W920-F922 HydrophobicContact CH2-CG 4.39Å; W920-F922 HydrophobicContact CZ2-CB 3.49Å; W920-F922 VanDerWaalsContact CZ2-CB 3.49Å; W920-F922 HydrophobicContact CZ2-CG 4.32Å; W920-F922 HydrophobicContact CZ3-CB 4.22Å; W920-M929 HydrophobicContact CH2-CB 4.42Å; W920-M929 HydrophobicContact CZ3-CB 4.02Å; W920-S930 CarbonylContact O-C 3.51Å; W920-S930 WeakPolarHBondContact O-CA 3.46Å; W920-S930 WeakPolarHBondContact O-CB 3.39Å; W920-I931 HydrophobicContact CB-CB 4.28Å; W920-I931 HydrophobicContact CB-CD1 4.3Å; W920-I931 HydrophobicContact CB-CG1 4.4Å; W920-I931 HydrophobicContact CE3-CG1 4.11Å; W920-I931 PolarHBondContact O-N 2.84Å; W920-L938 HydrophobicContact CZ3-CD2 4.17Å; W920-A976 HydrophobicContact CD2-CB 4.1Å; W920-A976 VanDerWaalsContact CE2-O 3.27Å; W920-A976 HydrophobicContact CE3-CB 3.91Å; W920-A976 HydrophobicContact CH2-CB 3.94Å; W920-A976 HydrophobicContact CZ2-CB 4.14Å; W920-A976 HydrophobicContact CZ3-CB 3.83Å; W920-A976 PolarHBondContact NE1-O 3.27Å; W920-A976 VanDerWaalsContact NE1-O 3.08Å; W920-V978 HydrophobicContact CH2-CG2 3.97Å; W920-V978 HydrophobicContact CZ2-CG2 4.06Å; W920-L989 HydrophobicContact CH2-CD1 3.85Å; W920-L989 HydrophobicContact CH2-CG 4.31Å; W920-L989 HydrophobicContact CZ3-CD1 4.26Å
921L95.9Very high93.8Very high6 Ų630.6 Ų30.63%0.03114%0.144CC..EExtended strand (participates in β ladder)trans-141.9153.3168.167.284.4000111.4S875 A877 L890 I897 M928 M929S875-L921 PolarHBondContact OG-N 3.37Å; A877-L921 HydrophobicContact CB-CD1 3.45Å; A877-L921 VanDerWaalsContact CB-CD1 3.45Å; L890-L921 HydrophobicContact CB-CD1 4.07Å; L890-L921 HydrophobicContact CB-CD2 4.4Å; I897-L921 HydrophobicContact CD1-CD2 4.33Å; I897-L921 HydrophobicContact CG1-CD2 4.31Å; I897-L921 HydrophobicContact CG2-CD2 3.79Å; L921-M928 HydrophobicContact CB-CG 4.26Å; L921-M928 HydrophobicContact CB-SD 4.28Å; L921-M928 HydrophobicContact CD1-SD 4.27Å; L921-M928 HydrophobicContact CD2-SD 4.07Å; L921-M928 HydrophobicContact CG-SD 4.47Å; L921-M929 CarbonylContact C-O 3.5Å; L921-M929 VanDerWaalsContact CA-O 3.24Å; L921-M929 WeakPolarHBondContact CA-O 3.46Å
922F95.5Very high94.1Very high22 Ų2228.4 Ų28.410%0.09613%0.133CC..EExtended strand (participates in β ladder)trans-147.9141.4178.7169.5-96.6000109.7W920 F924 M928 M929 V978 F1009W920-F922 HydrophobicContact CH2-CB 3.52Å; W920-F922 HydrophobicContact CH2-CG 4.39Å; W920-F922 HydrophobicContact CZ2-CB 3.49Å; W920-F922 VanDerWaalsContact CZ2-CB 3.49Å; W920-F922 HydrophobicContact CZ2-CG 4.32Å; W920-F922 HydrophobicContact CZ3-CB 4.22Å; F922-F924 HydrophobicContact CE1-CB 3.75Å; F922-F924 HydrophobicContact CZ-CB 4.18Å; F922-M928 CarbonylContact O-C 3.45Å; F922-M928 WeakPolarHBondContact O-CA 3.2Å; F922-M929 PolarHBondContact N-O 3.27Å; F922-M929 PolarHBondContact O-N 2.72Å; F922-V978 HydrophobicContact CD1-CB 4.15Å; F922-V978 HydrophobicContact CD1-CG1 4.29Å; F922-V978 HydrophobicContact CD1-CG2 3.6Å; F922-V978 HydrophobicContact CD2-CB 4.38Å; F922-V978 HydrophobicContact CD2-CG2 4.42Å; F922-V978 HydrophobicContact CE1-CB 3.97Å; F922-V978 HydrophobicContact CE1-CG1 3.65Å; F922-V978 HydrophobicContact CE1-CG2 3.84Å; F922-V978 HydrophobicContact CE2-CB 4.23Å; F922-V978 HydrophobicContact CE2-CG1 4.35Å; F922-V978 HydrophobicContact CG-CB 4.34Å; F922-V978 HydrophobicContact CG-CG2 3.91Å; F922-V978 HydrophobicContact CZ-CB 4.01Å; F922-V978 HydrophobicContact CZ-CG1 3.69Å; F922-V978 HydrophobicContact CZ-CG2 4.37Å; F922-F1009 HydrophobicContact CE1-CE2 4.32Å; F922-F1009 HydrophobicContact CE1-CZ 4.22Å
923V95.1Very high94.1Very high10 Ų1028.4 Ų28.46%0.06114%0.137CC..EExtended strand (participates in β ladder)trans-114.9134.1-177.7-176.20000110.8A877 W879 L890 K925 M928 L943A877-V923 HydrophobicContact CB-CG2 3.96Å; W879-V923 HydrophobicContact CB-CG1 4.14Å; W879-V923 HydrophobicContact CG-CG1 4.19Å; L890-V923 HydrophobicContact CD1-CG2 3.72Å; V923-K925 VanDerWaalsContact CG1-O 3.27Å; V923-K925 WeakPolarHBondContact CG1-O 3.28Å; V923-M928 HydrophobicContact CG2-CB 4.08Å; V923-M928 HydrophobicContact CG2-CG 4.26Å; V923-L943 HydrophobicContact CG1-CD1 3.76Å; V923-L943 HydrophobicContact CG2-CD1 4.2Å
924F92.4Very high93.8Very high51 Ų5135.1 Ų35.122%0.22417%0.168CC..EExtended strand (participates in β ladder)trans-139.4125.4164.8-172.3-125.5000111.5F922 D926 T927 K987 W1002F922-F924 HydrophobicContact CE1-CB 3.75Å; F922-F924 HydrophobicContact CZ-CB 4.18Å; F924-D926 PolarHBondContact O-N 3.05Å; F924-T927 PolarHBondContact N-O 3.17Å; F924-T927 PolarHBondContact O-N 3.28Å; F924-T927 VanDerWaalsContact O-N 3.12Å; F924-K987 HydrophobicContact CD1-CD 4.18Å; F924-K987 HydrophobicContact CD2-CD 4Å; F924-K987 HydrophobicContact CE1-CD 4.04Å; F924-K987 HydrophobicContact CE1-CG 4.48Å; F924-K987 HydrophobicContact CE2-CD 3.87Å; F924-K987 HydrophobicContact CG-CD 4.16Å; F924-K987 HydrophobicContact CZ-CD 3.89Å; F924-K987 HydrophobicContact CZ-CG 4.44Å; F924-W1002 AromaticContact CD1-CD2 3.52Å; F924-W1002 HydrophobicContact CD1-CD2 3.52Å; F924-W1002 AromaticContact CD1-CE2 3.67Å; F924-W1002 AromaticContact CD1-CE3 3.72Å; F924-W1002 HydrophobicContact CD1-CE3 3.72Å; F924-W1002 AromaticContact CD1-CG 3.96Å; F924-W1002 HydrophobicContact CD1-CG 3.96Å; F924-W1002 HydrophobicContact CD1-CH2 4.13Å; F924-W1002 AromaticContact CD1-CZ2 3.99Å; F924-W1002 HydrophobicContact CD1-CZ2 3.99Å; F924-W1002 HydrophobicContact CD1-CZ3 4.01Å; F924-W1002 AromaticContact CE1-CD1 3.79Å; F924-W1002 AromaticContact CE1-CD2 3.78Å; F924-W1002 HydrophobicContact CE1-CD2 3.78Å; F924-W1002 AromaticContact CE1-CE2 3.72Å; F924-W1002 HydrophobicContact CE1-CE3 4.44Å; F924-W1002 AromaticContact CE1-CG 3.81Å; F924-W1002 HydrophobicContact CE1-CG 3.81Å; F924-W1002 HydrophobicContact CE1-CZ2 4.3Å; F924-W1002 AromaticContact CE1-NE1 3.74Å
925K91.5Very high93.6Very high87 Ų8740.1 Ų40.138%0.37819%0.19SC..THydrogen-bonded Turntrans49-125.8-159.4-47.1-174-161.61750108.7W879 V923 W1002 N1004 N1007W879-K925 PolarHBondContact NE1-O 2.92Å; V923-K925 VanDerWaalsContact CG1-O 3.27Å; V923-K925 WeakPolarHBondContact CG1-O 3.28Å; K925-W1002 HydrophobicContact CD-CZ2 3.91Å; K925-W1002 HydrophobicContact CG-CZ2 4.24Å; K925-N1004 PolarHBondContact NZ-OD1 3.5Å; K925-N1007 PolarHBondContact NZ-OD1 2.82Å
926D93.5Very high93.6Very high40 Ų4036.6 Ų36.621%0.21417%0.167CC..THydrogen-bonded Turntrans-99.116.1-177.7-43.2-64.3000113.1W879 P882 F924 L943 I944W879-D926 PolarHBondContact NE1-OD1 3.02Å; P882-D926 WeakPolarHBondContact CD-OD1 3.32Å; P882-D926 WeakPolarHBondContact CG-OD1 3.47Å; F924-D926 PolarHBondContact O-N 3.05Å; D926-L943 PolarHBondContact O-N 3.19Å; D926-I944 HydrophobicContact CB-CD1 3.81Å; D926-I944 HydrophobicContact CB-CG1 4.04Å
927T94.8Very high93.8Very high6 Ų631.2 Ų31.24%0.03715%0.148CC..EExtended strand (participates in β ladder)trans-112.9112.4179.6-59.60000110.2F924 M929 S940 H941 W1002 N1007F924-T927 PolarHBondContact N-O 3.17Å; F924-T927 PolarHBondContact O-N 3.28Å; F924-T927 VanDerWaalsContact O-N 3.12Å; T927-M929 HydrophobicContact CG2-SD 4.36Å; T927-S940 WeakPolarHBondContact CG2-OG 3.37Å; T927-H941 WeakPolarHBondContact CA-O 3.4Å; T927-W1002 HydrophobicContact CG2-CZ3 4.33Å; T927-N1007 PolarHBondContact OG1-O 3.09Å
928M96.6Very high93.9Very high0 Ų026.8 Ų26.80%013%0.131CC..EExtended strand (participates in β ladder)trans-89.4123.9168.7174.1178.666.800108.8L890 I897 L921 F922 V923 H941 L943L890-M928 HydrophobicContact CD1-SD 4.12Å; L890-M928 HydrophobicContact CD2-SD 4.37Å; I897-M928 HydrophobicContact CD1-CE 3.52Å; I897-M928 HydrophobicContact CD1-SD 4.02Å; I897-M928 HydrophobicContact CG2-CE 4.17Å; I897-M928 HydrophobicContact CG2-SD 4.1Å; L921-M928 HydrophobicContact CB-CG 4.26Å; L921-M928 HydrophobicContact CB-SD 4.28Å; L921-M928 HydrophobicContact CD1-SD 4.27Å; L921-M928 HydrophobicContact CD2-SD 4.07Å; L921-M928 HydrophobicContact CG-SD 4.47Å; F922-M928 CarbonylContact O-C 3.45Å; F922-M928 WeakPolarHBondContact O-CA 3.2Å; V923-M928 HydrophobicContact CG2-CB 4.08Å; V923-M928 HydrophobicContact CG2-CG 4.26Å; M928-H941 HydrophobicContact CB-CB 4.16Å; M928-H941 HydrophobicContact CE-CB 3.79Å; M928-H941 PolarHBondContact N-O 3.06Å; M928-H941 WeakPolarHBondContact O-CB 3.4Å; M928-H941 PolarHBondContact O-CD2 2.66Å; M928-H941 PolarHBondContact O-N 2.87Å; M928-L943 HydrophobicContact CB-CD1 4.12Å; M928-L943 HydrophobicContact CB-CD2 3.78Å; M928-L943 HydrophobicContact CB-CG 3.97Å; M928-L943 HydrophobicContact CE-CD2 3.96Å; M928-L943 HydrophobicContact SD-CD2 4.2Å
929M96.8Very high94Very high1 Ų127.8 Ų27.81%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-89.4143.6162.5-60.8-60.9-63.300108.2W920 L921 F922 T927 F939 V967 L989 F1009W920-M929 HydrophobicContact CH2-CB 4.42Å; W920-M929 HydrophobicContact CZ3-CB 4.02Å; L921-M929 CarbonylContact C-O 3.5Å; L921-M929 VanDerWaalsContact CA-O 3.24Å; L921-M929 WeakPolarHBondContact CA-O 3.46Å; F922-M929 PolarHBondContact N-O 3.27Å; F922-M929 PolarHBondContact O-N 2.72Å; T927-M929 HydrophobicContact CG2-SD 4.36Å; M929-F939 CarbonylContact C-O 3.56Å; M929-F939 WeakPolarHBondContact CA-O 3.35Å; M929-V967 HydrophobicContact CE-CG2 4.06Å; M929-L989 HydrophobicContact CB-CD1 3.92Å; M929-L989 HydrophobicContact CE-CD1 4.16Å; M929-L989 HydrophobicContact CG-CD1 3.74Å; M929-F1009 HydrophobicContact CG-CD2 3.59Å; M929-F1009 HydrophobicContact CG-CE2 3.94Å; M929-F1009 HydrophobicContact SD-CD2 3.9Å
930S97Very high94Very high0 Ų028.5 Ų28.50%014%0.141CC..EExtended strand (participates in β ladder)trans-143.7149.5171.278.70000113.1W920 S932 L938 F939 H941W920-S930 CarbonylContact O-C 3.51Å; W920-S930 WeakPolarHBondContact O-CA 3.46Å; W920-S930 WeakPolarHBondContact O-CB 3.39Å; S930-S932 PolarHBondContact OG-OG 3.26Å; S930-L938 CarbonylContact O-C 3.58Å; S930-L938 VanDerWaalsContact O-CA 3.29Å; S930-L938 WeakPolarHBondContact O-CA 3.47Å; S930-F939 PolarHBondContact N-O 2.96Å; S930-F939 PolarHBondContact O-N 2.89Å; S930-H941 PolarHBondContact OG-NE2 2.98Å
931I97.1Very high94Very high0 Ų027.9 Ų27.90%014%0.139CC..EExtended strand (participates in β ladder)trans-90.5106.7160.8-65.8178.5000107.1L919 W920 P936 Q937 L938 C973 A976L919-I931 HydrophobicContact CB-CG2 4.31Å; L919-I931 HydrophobicContact CD1-CG2 4.31Å; L919-I931 PolarHBondContact N-O 2.84Å; W920-I931 HydrophobicContact CB-CB 4.28Å; W920-I931 HydrophobicContact CB-CD1 4.3Å; W920-I931 HydrophobicContact CB-CG1 4.4Å; W920-I931 HydrophobicContact CE3-CG1 4.11Å; W920-I931 PolarHBondContact O-N 2.84Å; I931-P936 HydrophobicContact CG2-CB 3.71Å; I931-Q937 WeakPolarHBondContact CA-O 3.16Å; I931-L938 HydrophobicContact CG1-CD2 3.75Å; I931-L938 HydrophobicContact CG1-CG 4.28Å; I931-C973 VanDerWaalsContact CG2-O 3.24Å; I931-C973 WeakPolarHBondContact CG2-O 3.29Å; I931-A976 HydrophobicContact CD1-CB 3.74Å; I931-A976 HydrophobicContact CG1-CB 4.34Å
932S94.8Very high93.9Very high1 Ų130.3 Ų30.31%0.00715%0.151CC..EExtended strand (participates in β ladder)trans-135154.8-171.2-76.10000114.1R917 S930 Q937 F939R917-S932 CarbonylContact O-C 3.57Å; R917-S932 WeakPolarHBondContact O-CA 3.48Å; S930-S932 PolarHBondContact OG-OG 3.26Å; S932-Q937 PolarHBondContact N-O 2.83Å; S932-Q937 PolarHBondContact O-N 3.16Å; S932-F939 WeakPolarHBondContact O-CE2 3.49Å
933G89.9Confident93.8Very high14 Ų1429.2 Ų29.214%0.14415%0.147CC..THydrogen-bonded Turntrans102.2170.1173.200000115.2R917 H935R917-G933 PolarHBondContact O-N 3.43Å; G933-H935 PolarHBondContact O-N 3.2Å
934Q85.7Confident93.6Very high157 Ų15730.2 Ų30.273%0.73415%0.151SC*.THydrogen-bonded Turntrans-64.4-26.6179.6-65.6-65.5800113.4
935H88.9Confident93.4Very high111 Ų11130.1 Ų30.151%0.51416%0.157SC..THydrogen-bonded Turntrans-110.3111.6162-55.5-58.4000106.7G933 Q937 R971G933-H935 PolarHBondContact O-N 3.2Å; H935-Q937 PolarHBondContact O-N 2.74Å; H935-R971 HydrophobicContact CB-CG 3.99Å; H935-R971 PolarHBondContact CD2-NH2 3.04Å; H935-R971 PolarHBondContact NE2-NH2 3Å
936P91.9Very high93.3Very high27 Ų2726.7 Ų26.718%0.17514%0.143CC..THydrogen-bonded Turntrans-48.3122.5-179-32.838.3000111.9I385 L919 I931 G972 C973I385-P936 HydrophobicContact CD1-CG 3.89Å; L919-P936 HydrophobicContact CD1-CB 4.2Å; L919-P936 HydrophobicContact CD1-CG 3.81Å; I931-P936 HydrophobicContact CG2-CB 3.71Å; P936-G972 PolarHBondContact O-N 2.99Å; P936-C973 CarbonylContact C-O 3.5Å; P936-C973 WeakPolarHBondContact CB-O 3.21Å; P936-C973 PolarHBondContact O-N 2.88Å
937Q94.5Very high93Very high10 Ų1026.4 Ų26.45%0.04714%0.14CC..EExtended strand (participates in β ladder)trans-152.3145.9-176.6179.2148.223.100110.7I931 S932 H935 F939 K966 V967 T970I931-Q937 WeakPolarHBondContact CA-O 3.16Å; S932-Q937 PolarHBondContact N-O 2.83Å; S932-Q937 PolarHBondContact O-N 3.16Å; H935-Q937 PolarHBondContact O-N 2.74Å; Q937-F939 HydrophobicContact CB-CE2 4.28Å; Q937-F939 HydrophobicContact CG-CE2 4.48Å; Q937-F939 WeakPolarHBondContact O-CD2 3.3Å; Q937-K966 HydrophobicContact CG-CD 4.27Å; Q937-K966 HydrophobicContact CG-CG 4.1Å; Q937-K966 VanDerWaalsContact NE2-CE 3.3Å; Q937-K966 VanDerWaalsContact OE1-CE 3.27Å; Q937-V967 PolarHBondContact NE2-O 3.21Å; Q937-T970 WeakPolarHBondContact CA-O 3.42Å; Q937-T970 WeakPolarHBondContact CG-OG1 3.42Å; Q937-T970 PolarHBondContact NE2-OG1 2.88Å; Q937-T970 VanDerWaalsContact NE2-OG1 3.16Å
938L96.6Very high92.4Very high0 Ų030.4 Ų30.40%016%0.158CC..EExtended strand (participates in β ladder)trans-71.8132175.9-76.3166.5000112.2W920 S930 I931 V967 T970 C973 A976 L989 L998W920-L938 HydrophobicContact CZ3-CD2 4.17Å; S930-L938 CarbonylContact O-C 3.58Å; S930-L938 VanDerWaalsContact O-CA 3.29Å; S930-L938 WeakPolarHBondContact O-CA 3.47Å; I931-L938 HydrophobicContact CG1-CD2 3.75Å; I931-L938 HydrophobicContact CG1-CG 4.28Å; L938-V967 HydrophobicContact CB-CB 4.02Å; L938-V967 HydrophobicContact CB-CG2 3.92Å; L938-V967 WeakPolarHBondContact O-CB 3.45Å; L938-V967 PolarHBondContact O-N 2.88Å; L938-T970 HydrophobicContact CB-CG2 4.27Å; L938-T970 HydrophobicContact CD1-CG2 4.11Å; L938-T970 PolarHBondContact N-OG1 2.81Å; L938-C973 HydrophobicContact CG-CB 4.33Å; L938-A976 HydrophobicContact CD2-CB 4.41Å; L938-L989 HydrophobicContact CD1-CD2 4.13Å; L938-L998 HydrophobicContact CD1-CD2 3.88Å
939F96Very high91.2Very high22 Ų2233.1 Ų33.110%0.09618%0.176CC..EExtended strand (participates in β ladder)trans-122.9146.3169.7-73.6-100000109.6M929 S930 S932 Q937 H941 T964 V965 K966M929-F939 CarbonylContact C-O 3.56Å; M929-F939 WeakPolarHBondContact CA-O 3.35Å; S930-F939 PolarHBondContact N-O 2.96Å; S930-F939 PolarHBondContact O-N 2.89Å; S932-F939 WeakPolarHBondContact O-CE2 3.49Å; Q937-F939 HydrophobicContact CB-CE2 4.28Å; Q937-F939 HydrophobicContact CG-CE2 4.48Å; Q937-F939 WeakPolarHBondContact O-CD2 3.3Å; F939-H941 VanDerWaalsContact CB-NE2 3.35Å; F939-H941 WeakPolarHBondContact CB-NE2 3.13Å; F939-T964 HydrophobicContact CB-CG2 4.49Å; F939-T964 HydrophobicContact CD1-CG2 3.76Å; F939-V965 WeakPolarHBondContact CA-O 3.21Å; F939-K966 HydrophobicContact CD1-CB 3.94Å; F939-K966 HydrophobicContact CD1-CG 4.44Å; F939-K966 HydrophobicContact CE1-CB 3.63Å; F939-K966 HydrophobicContact CE1-CD 4.43Å; F939-K966 HydrophobicContact CE1-CG 4Å; F939-K966 HydrophobicContact CE2-CG 4.46Å; F939-K966 HydrophobicContact CZ-CB 4.15Å; F939-K966 HydrophobicContact CZ-CD 4.13Å; F939-K966 HydrophobicContact CZ-CG 4.01Å
940S95.3Very high89.6Confident21 Ų2137 Ų3715%0.14719%0.191CC..EExtended strand (participates in β ladder)trans-109.9129.5169.6177.30000108.6T927 T964 V965 T1008T927-S940 WeakPolarHBondContact CG2-OG 3.37Å; S940-T964 CarbonylContact O-C 3.58Å; S940-T964 WeakPolarHBondContact O-CA 3.26Å; S940-V965 PolarHBondContact N-O 3.47Å; S940-V965 PolarHBondContact O-N 3.3Å; S940-T1008 PolarHBondContact OG-OG1 2.92Å
941H94.7Very high87.5Confident0 Ų042.5 Ų42.50%023%0.225CC..EExtended strand (participates in β ladder)trans-126.7123.9-172.2-56.6-98.1000109.9T927 M928 S930 F939 L943 L946 P963 T964T927-H941 WeakPolarHBondContact CA-O 3.4Å; M928-H941 HydrophobicContact CB-CB 4.16Å; M928-H941 HydrophobicContact CE-CB 3.79Å; M928-H941 PolarHBondContact N-O 3.06Å; M928-H941 WeakPolarHBondContact O-CB 3.4Å; M928-H941 PolarHBondContact O-CD2 2.66Å; M928-H941 PolarHBondContact O-N 2.87Å; S930-H941 PolarHBondContact OG-NE2 2.98Å; F939-H941 VanDerWaalsContact CB-NE2 3.35Å; F939-H941 WeakPolarHBondContact CB-NE2 3.13Å; H941-L943 PolarHBondContact O-N 2.81Å; H941-L946 HydrophobicContact CB-CD1 3.82Å; H941-P963 WeakPolarHBondContact CA-O 3.44Å; H941-T964 VanDerWaalsContact CE1-CG2 3.47Å; H941-T964 WeakPolarHBondContact CE1-CG2 3.41Å; H941-T964 VanDerWaalsContact ND1-CG2 3.33Å; H941-T964 WeakPolarHBondContact ND1-CG2 3.42Å; H941-T964 PolarHBondContact ND1-OG1 3.09Å
942N93.5Very high84.9Confident56 Ų5645.3 Ų45.330%0.29924%0.244SC..EExtended strand (participates in β ladder)trans-87.2109.1171.9-176.7-89.8000109S945 L946 P963N942-S945 PolarHBondContact O-N 2.84Å; N942-S945 WeakPolarHBondContact OD1-CB 3.24Å; N942-S945 PolarHBondContact OD1-N 3.26Å; N942-S945 PolarHBondContact OD1-OG 2.83Å; N942-L946 PolarHBondContact O-N 2.85Å; N942-P963 PolarHBondContact N-O 3.06Å
943L93.5Very high82Confident0 Ų053.6 Ų53.60%028%0.283CS..Hα-helixtrans-64.2-45.7-170.7-68.8174.5000112W879 L890 L913 V923 D926 M928 H941 S945 L946 M947W879-L943 HydrophobicContact CB-CD1 4.09Å; W879-L943 HydrophobicContact CD2-CB 4.14Å; W879-L943 HydrophobicContact CD2-CD1 3.5Å; W879-L943 VanDerWaalsContact CD2-CD1 3.5Å; W879-L943 HydrophobicContact CD2-CG 4.43Å; W879-L943 HydrophobicContact CE3-CB 4.16Å; W879-L943 HydrophobicContact CE3-CD1 3.97Å; W879-L943 HydrophobicContact CG-CD1 3.55Å; W879-L943 HydrophobicContact CH2-CB 3.7Å; W879-L943 HydrophobicContact CZ2-CB 3.63Å; W879-L943 HydrophobicContact CZ2-CD1 4.41Å; W879-L943 HydrophobicContact CZ3-CB 3.96Å; L890-L943 HydrophobicContact CD1-CD1 3.98Å; L890-L943 HydrophobicContact CD1-CD2 4.09Å; L913-L943 HydrophobicContact CD2-CD2 4.05Å; V923-L943 HydrophobicContact CG1-CD1 3.76Å; V923-L943 HydrophobicContact CG2-CD1 4.2Å; D926-L943 PolarHBondContact O-N 3.19Å; M928-L943 HydrophobicContact CB-CD1 4.12Å; M928-L943 HydrophobicContact CB-CD2 3.78Å; M928-L943 HydrophobicContact CB-CG 3.97Å; M928-L943 HydrophobicContact CE-CD2 3.96Å; M928-L943 HydrophobicContact SD-CD2 4.2Å; H941-L943 PolarHBondContact O-N 2.81Å; L943-S945 VanDerWaalsContact C-N 3.32Å; L943-S945 PolarHBondContact O-N 2.83Å; L943-L946 PolarHBondContact O-N 2.8Å; L943-L946 VanDerWaalsContact O-N 3.12Å; L943-M947 WeakPolarHBondContact O-CG 3.35Å; L943-M947 PolarHBondContact O-N 2.84Å
944I90.9Very high79.2Confident30 Ų3057.7 Ų57.715%0.15431%0.305CS..Hα-helixtrans-54.3-49.2175.1-61.4167.2000110.8W879 P882 E883 D926 L946 M947 K948W879-I944 HydrophobicContact CH2-CG1 4.38Å; W879-I944 HydrophobicContact CZ2-CG1 3.99Å; P882-I944 HydrophobicContact CG-CD1 3.78Å; P882-I944 HydrophobicContact CG-CG1 4.19Å; E883-I944 WeakPolarHBondContact OE1-CG2 3.29Å; D926-I944 HydrophobicContact CB-CD1 3.81Å; D926-I944 HydrophobicContact CB-CG1 4.04Å; I944-L946 VanDerWaalsContact C-N 3.34Å; I944-L946 PolarHBondContact O-N 2.92Å; I944-M947 PolarHBondContact O-N 2.91Å; I944-K948 HydrophobicContact CG2-CD 4.25Å; I944-K948 WeakPolarHBondContact O-CG 3.3Å; I944-K948 PolarHBondContact O-N 2.8Å
945S88.7Confident76.8Confident50 Ų5058.9 Ų58.935%0.3530%0.303SS..Hα-helixtrans-67.5-32.8-179.9-590000112.8N942 L943 S949N942-S945 PolarHBondContact O-N 2.84Å; N942-S945 WeakPolarHBondContact OD1-CB 3.24Å; N942-S945 PolarHBondContact OD1-N 3.26Å; N942-S945 PolarHBondContact OD1-OG 2.83Å; L943-S945 VanDerWaalsContact C-N 3.32Å; L943-S945 PolarHBondContact O-N 2.83Å; S945-S949 VanDerWaalsContact O-CB 3.3Å; S945-S949 WeakPolarHBondContact O-CB 3.46Å; S945-S949 PolarHBondContact O-N 3.33Å; S945-S949 PolarHBondContact O-OG 3.14Å
946L89.1Confident74.5Confident15 Ų1563.4 Ų63.48%0.07932%0.322CS..Hα-helixtrans-66.9-48.9173.9-83.4172.2000110.9L913 V914 H941 N942 L943 I944 K948 S949 R950 P963L913-L946 HydrophobicContact CD1-CB 3.97Å; L913-L946 HydrophobicContact CD2-CD1 4.36Å; L913-L946 HydrophobicContact CG-CB 4.47Å; L913-L946 HydrophobicContact CG-CD1 4.31Å; V914-L946 HydrophobicContact CG2-CD1 4.08Å; H941-L946 HydrophobicContact CB-CD1 3.82Å; N942-L946 PolarHBondContact O-N 2.85Å; L943-L946 PolarHBondContact O-N 2.8Å; L943-L946 VanDerWaalsContact O-N 3.12Å; I944-L946 VanDerWaalsContact C-N 3.34Å; I944-L946 PolarHBondContact O-N 2.92Å; L946-K948 PolarHBondContact O-N 3.4Å; L946-S949 PolarHBondContact O-N 2.85Å; L946-S949 VanDerWaalsContact O-N 3.09Å; L946-S949 PolarHBondContact O-OG 3.04Å; L946-R950 PolarHBondContact O-N 3.28Å; L946-P963 HydrophobicContact CB-CB 4.48Å; L946-P963 HydrophobicContact CD2-CB 3.81Å; L946-P963 HydrophobicContact CG-CB 3.78Å
947M86.6Confident72.1Confident33 Ų3366.2 Ų66.216%0.16334%0.335CS..Hα-helixtrans-59.4-47.1178.3-64.1-62.2-84.900111.2W879 I888 Y899 L913 L943 I944 S949 R950W879-M947 HydrophobicContact CH2-CG 4.29Å; W879-M947 HydrophobicContact CZ3-CG 4.06Å; I888-M947 HydrophobicContact CD1-CE 4.21Å; Y899-M947 HydrophobicContact CE1-CE 4.15Å; Y899-M947 HydrophobicContact CE1-SD 4.01Å; Y899-M947 HydrophobicContact CE2-CE 4.02Å; L913-M947 HydrophobicContact CD1-SD 3.72Å; L943-M947 WeakPolarHBondContact O-CG 3.35Å; L943-M947 PolarHBondContact O-N 2.84Å; I944-M947 PolarHBondContact O-N 2.91Å; M947-S949 VanDerWaalsContact C-N 3.3Å; M947-S949 PolarHBondContact O-N 3.02Å; M947-R950 WeakPolarHBondContact O-CB 3.45Å; M947-R950 PolarHBondContact O-N 3.22Å; M947-R950 VanDerWaalsContact O-N 3.1Å
948K82.7Confident69.8Low91 Ų9172.6 Ų72.640%0.39636%0.364SS..Hα-helixtrans-62.2-32.1173.9-69.5-174.5-173.6-177.30113.7E883 I944 L946 R950 T951 S952E883-K948 WeakPolarHBondContact OE1-CE 3.44Å; E883-K948 IonicContact OE1-NZ 3.32Å; E883-K948 PolarHBondContact OE1-NZ 3.38Å; E883-K948 WeakPolarHBondContact OE2-CE 3.43Å; E883-K948 IonicContact OE2-NZ 3.79Å; E883-K948 PolarHBondContact OE2-NZ 3.18Å; I944-K948 HydrophobicContact CG2-CD 4.25Å; I944-K948 WeakPolarHBondContact O-CG 3.3Å; I944-K948 PolarHBondContact O-N 2.8Å; L946-K948 PolarHBondContact O-N 3.4Å; K948-R950 PolarHBondContact O-N 2.96Å; K948-T951 PolarHBondContact O-N 3.17Å; K948-T951 PolarHBondContact O-OG1 3.43Å; K948-T951 VanDerWaalsContact O-OG1 3.07Å; K948-S952 PolarHBondContact O-N 3.07Å
949S70.3Confident67.2Low56 Ų5680.9 Ų80.939%0.39240%0.4SS..Hα-helixtrans-70.6-13.8176.276.70000114.2S945 L946 M947S945-S949 VanDerWaalsContact O-CB 3.3Å; S945-S949 WeakPolarHBondContact O-CB 3.46Å; S945-S949 PolarHBondContact O-N 3.33Å; S945-S949 PolarHBondContact O-OG 3.14Å; L946-S949 PolarHBondContact O-N 2.85Å; L946-S949 VanDerWaalsContact O-N 3.09Å; L946-S949 PolarHBondContact O-OG 3.04Å; M947-S949 VanDerWaalsContact C-N 3.3Å; M947-S949 PolarHBondContact O-N 3.02Å
950R64.8Low64.7Low83 Ų8390.4 Ų90.431%0.31344%0.435SS..Hα-helixtrans-83.1-32.7169.7-61.8176.590.3-113.61.4112Y899 E911 L912 L946 M947 K948Y899-R950 PolarHBondContact OH-NH1 3.05Å; E911-R950 IonicContact OE1-NH1 3.74Å; E911-R950 IonicContact OE2-CZ 2.64Å; E911-R950 IonicContact OE2-NH1 3.76Å; E911-R950 PolarHBondContact OE2-NH1 3.15Å; E911-R950 IonicContact OE2-NH2 2.79Å; E911-R950 PolarHBondContact OE2-NH2 2.92Å; L912-R950 PolarHBondContact O-NE 3.04Å; L912-R950 PolarHBondContact O-NH2 2.75Å; L946-R950 PolarHBondContact O-N 3.28Å; M947-R950 WeakPolarHBondContact O-CB 3.45Å; M947-R950 PolarHBondContact O-N 3.22Å; M947-R950 VanDerWaalsContact O-N 3.1Å; K948-R950 PolarHBondContact O-N 2.96Å
951T53Low62.8Low116 Ų11696.3 Ų96.371%0.71246%0.459SS*.Hα-helixtrans-84.3-25.918063.90000114K948K948-T951 PolarHBondContact O-N 3.17Å; K948-T951 PolarHBondContact O-OG1 3.43Å; K948-T951 VanDerWaalsContact O-OG1 3.07Å
952S40.5Very low61.6Low59 Ų59100.9 Ų100.941%0.41348%0.48SS..  trans-121.9124.8-172.3-62.30000113.1K948 T954K948-S952 PolarHBondContact O-N 3.07Å; S952-T954 PolarHBondContact O-N 3.05Å
953Q34.2Very low61.3Low175 Ų17599.2 Ų99.282%0.81847%0.472SS*.  trans-75.735.8-178.5-61.9-161.328.800115.2R955Q953-R955 PolarHBondContact O-N 2.7Å
954T31.6Very low61.1Low99 Ų99100.8 Ų100.861%0.60748%0.482SS*.  trans-80.283.8-173.5450000112.6S952 F956S952-T954 PolarHBondContact O-N 3.05Å; T954-F956 VanDerWaalsContact C-N 3.26Å; T954-F956 PolarHBondContact O-N 3.11Å
955R35.7Very low61.2Low183 Ų183102.8 Ų102.869%0.69150%0.495SS*.  trans-77.312.6-166.6-144.2178.4-66.2-167.51.8116.9Q953Q953-R955 PolarHBondContact O-N 2.7Å
956F40.9Very low61.4Low206 Ų206105.6 Ų105.690%0.90450%0.501SS*.  trans-136.281.7-178.8-73.6-79.6000112.5T954T954-F956 VanDerWaalsContact C-N 3.26Å; T954-F956 PolarHBondContact O-N 3.11Å
957L41.1Very low61.6Low86 Ų86105.7 Ų105.745%0.4550%0.502SS..  trans-101.4128.3167.8-72.9168.7000110.6F961 P963L957-F961 HydrophobicContact CD2-CB 4.37Å; L957-P963 HydrophobicContact CD1-CG 4.19Å
958H45.3Very low61.9Low144 Ų144108 Ų10867%0.66752%0.52SS*.  trans-61.9151.3177-163.4-136.2000110.6R960 F961H958-R960 PolarHBondContact O-N 3.35Å; H958-F961 HydrophobicContact CB-CD2 4.14Å; H958-F961 PolarHBondContact O-N 2.75Å
959K41.7Very low62.3Low174 Ų174109.8 Ų109.876%0.75753%0.534SS*.G310 helixtrans-52.8-28.5-172.4-78.3-174.3177.2178.80115F961K959-F961 VanDerWaalsContact C-N 3.33Å
960R44.7Very low63.5Low221 Ų221107.1 Ų107.183%0.83452%0.515SS*.G310 helixtrans-75.4-12.9176.1-77.6-173.7175.2169-0.3115.1H958H958-R960 PolarHBondContact O-N 3.35Å
961F55.7Low64.9Low145 Ų145110.5 Ų110.564%0.63653%0.528SS*.G310 helixtrans-122.623.7-175.9-55.3-60.7000112.1L957 H958 K959L957-F961 HydrophobicContact CD2-CB 4.37Å; H958-F961 HydrophobicContact CB-CD2 4.14Å; H958-F961 PolarHBondContact O-N 2.75Å; K959-F961 VanDerWaalsContact C-N 3.33Å
962Q69.3Low66.7Low96 Ų96106.2 Ų106.245%0.44951%0.507SS..  trans-72.2130.5172.3-68-174.1-10.100109.2T964Q962-T964 PolarHBondContact O-N 3.24Å
963P85.8Confident69.2Low21 Ų21103.4 Ų103.414%0.13649%0.487CS..SBendtrans-61.9-7.7179.7-2534.6000114.9H941 N942 L946 L957H941-P963 WeakPolarHBondContact CA-O 3.44Å; N942-P963 PolarHBondContact N-O 3.06Å; L946-P963 HydrophobicContact CB-CB 4.48Å; L946-P963 HydrophobicContact CD2-CB 3.81Å; L946-P963 HydrophobicContact CG-CB 3.78Å; L957-P963 HydrophobicContact CD1-CG 4.19Å
964T91.2Very high71.8Confident33 Ų3397.1 Ų97.120%0.20246%0.456CS..EExtended strand (participates in β ladder)trans-142.4126.2176.6-67.90000108.7F939 S940 H941 Q962F939-T964 HydrophobicContact CB-CG2 4.49Å; F939-T964 HydrophobicContact CD1-CG2 3.76Å; S940-T964 CarbonylContact O-C 3.58Å; S940-T964 WeakPolarHBondContact O-CA 3.26Å; H941-T964 VanDerWaalsContact CE1-CG2 3.47Å; H941-T964 WeakPolarHBondContact CE1-CG2 3.41Å; H941-T964 VanDerWaalsContact ND1-CG2 3.33Å; H941-T964 WeakPolarHBondContact ND1-CG2 3.42Å; H941-T964 PolarHBondContact ND1-OG1 3.09Å; Q962-T964 PolarHBondContact O-N 3.24Å
965V92Very high74.7Confident72 Ų7292.5 Ų92.544%0.43643%0.428SS..EExtended strand (participates in β ladder)trans-123.3127.5-178.6-179.60000108.6F939 S940F939-V965 WeakPolarHBondContact CA-O 3.21Å; S940-V965 PolarHBondContact N-O 3.47Å; S940-V965 PolarHBondContact O-N 3.3Å
966K93.5Very high77.5Confident109 Ų10983.8 Ų83.847%0.47440%0.395SS..EExtended strand (participates in β ladder)trans-71.7129.1171.5-175.3173.7110.4149.70109.3Q937 F939Q937-K966 HydrophobicContact CG-CD 4.27Å; Q937-K966 HydrophobicContact CG-CG 4.1Å; Q937-K966 VanDerWaalsContact NE2-CE 3.3Å; Q937-K966 VanDerWaalsContact OE1-CE 3.27Å; F939-K966 HydrophobicContact CD1-CB 3.94Å; F939-K966 HydrophobicContact CD1-CG 4.44Å; F939-K966 HydrophobicContact CE1-CB 3.63Å; F939-K966 HydrophobicContact CE1-CD 4.43Å; F939-K966 HydrophobicContact CE1-CG 4Å; F939-K966 HydrophobicContact CE2-CG 4.46Å; F939-K966 HydrophobicContact CZ-CB 4.15Å; F939-K966 HydrophobicContact CZ-CD 4.13Å; F939-K966 HydrophobicContact CZ-CG 4.01Å
967V93.3Very high80Confident17 Ų1774.7 Ų74.710%0.10336%0.357CS..PPolyproline II helixtrans-71.4126.5170.8-173.30000107.8M929 Q937 L938 T970 M1000M929-V967 HydrophobicContact CE-CG2 4.06Å; Q937-V967 PolarHBondContact NE2-O 3.21Å; L938-V967 HydrophobicContact CB-CB 4.02Å; L938-V967 HydrophobicContact CB-CG2 3.92Å; L938-V967 WeakPolarHBondContact O-CB 3.45Å; L938-V967 PolarHBondContact O-N 2.88Å; V967-T970 HydrophobicContact CB-CG2 4.25Å; V967-T970 HydrophobicContact CG1-CG2 3.84Å; V967-T970 PolarHBondContact O-OG1 2.98Å; V967-M1000 HydrophobicContact CG1-CE 3.97Å
968P92.3Very high82.6Confident82 Ų8272.1 Ų72.153%0.53234%0.344SS..THydrogen-bonded Turntrans-54152.9176-26.335.8000112.4T970P968-T970 WeakPolarHBondContact O-CG2 3.41Å; P968-T970 PolarHBondContact O-N 3.25Å; P968-T970 PolarHBondContact O-OG1 3.02Å
969D91.5Very high84.8Confident129 Ų12966.5 Ų66.569%0.6932%0.32SS*.THydrogen-bonded Turntrans5426.6161.5-45-40.1000116.8R1014D969-R1014 PolarHBondContact O-NH1 2.94Å; D969-R1014 PolarHBondContact O-NH2 3.44Å
970T95.4Very high87.2Confident0 Ų063 Ų630%030%0.302CS..  trans-113.315.317652.70000113.5Q937 L938 V967 P968 G972 C973 I993 L998Q937-T970 WeakPolarHBondContact CA-O 3.42Å; Q937-T970 WeakPolarHBondContact CG-OG1 3.42Å; Q937-T970 PolarHBondContact NE2-OG1 2.88Å; Q937-T970 VanDerWaalsContact NE2-OG1 3.16Å; L938-T970 HydrophobicContact CB-CG2 4.27Å; L938-T970 HydrophobicContact CD1-CG2 4.11Å; L938-T970 PolarHBondContact N-OG1 2.81Å; V967-T970 HydrophobicContact CB-CG2 4.25Å; V967-T970 HydrophobicContact CG1-CG2 3.84Å; V967-T970 PolarHBondContact O-OG1 2.98Å; P968-T970 WeakPolarHBondContact O-CG2 3.41Å; P968-T970 PolarHBondContact O-N 3.25Å; P968-T970 PolarHBondContact O-OG1 3.02Å; T970-G972 PolarHBondContact O-N 3.44Å; T970-C973 WeakPolarHBondContact O-CB 3.45Å; T970-C973 PolarHBondContact O-N 3.23Å; T970-I993 HydrophobicContact CG2-CD1 3.95Å; T970-L998 HydrophobicContact CG2-CD2 3.49Å; T970-L998 VanDerWaalsContact CG2-CD2 3.49Å
971R93.7Very high89.2Confident154 Ų15452.5 Ų52.558%0.58126%0.263SS*.THydrogen-bonded Turntrans-67.6126.8173-173-173.8-177-170.41.8108.5H935H935-R971 HydrophobicContact CB-CG 3.99Å; H935-R971 PolarHBondContact CD2-NH2 3.04Å; H935-R971 PolarHBondContact NE2-NH2 3Å
972G90.8Very high90.5Very high26 Ų2651.5 Ų51.527%0.26826%0.26SS..THydrogen-bonded Turntrans91.57.5-169.700000113.9P936 T970 Y974P936-G972 PolarHBondContact O-N 2.99Å; T970-G972 PolarHBondContact O-N 3.44Å; G972-Y974 WeakPolarHBondContact O-CD1 3.49Å; G972-Y974 PolarHBondContact O-N 3.03Å
973C93.6Very high91.1Very high0 Ų051.4 Ų51.40%026%0.258CS..EExtended strand (participates in β ladder)trans-69.4108.6166.1-168.50000108.9I931 P936 L938 T970 A992 I993I931-C973 VanDerWaalsContact CG2-O 3.24Å; I931-C973 WeakPolarHBondContact CG2-O 3.29Å; P936-C973 CarbonylContact C-O 3.5Å; P936-C973 WeakPolarHBondContact CB-O 3.21Å; P936-C973 PolarHBondContact O-N 2.88Å; L938-C973 HydrophobicContact CG-CB 4.33Å; T970-C973 WeakPolarHBondContact O-CB 3.45Å; T970-C973 PolarHBondContact O-N 3.23Å; C973-A992 WeakPolarHBondContact CA-O 3.37Å; C973-I993 HydrophobicContact CB-CD1 4.32Å; C973-I993 HydrophobicContact CB-CG1 3.62Å
974Y88.5Confident91Very high43 Ų4354.7 Ų54.717%0.16927%0.27CS..EExtended strand (participates in β ladder)trans-100.4-27.6-176.657.7-88.7000113G972 A992 L1024G972-Y974 WeakPolarHBondContact O-CD1 3.49Å; G972-Y974 PolarHBondContact O-N 3.03Å; Y974-A992 HydrophobicContact CE1-CB 3.98Å; Y974-A992 HydrophobicContact CE2-CB 4.34Å; Y974-A992 PolarHBondContact N-O 2.8Å; Y974-L1024 HydrophobicContact CE2-CB 4.18Å; Y974-L1024 HydrophobicContact CE2-CD2 3.96Å; Y974-L1024 VanDerWaalsContact OH-CD2 3.3Å; Y974-L1024 WeakPolarHBondContact OH-CD2 3.26Å
975I92.4Very high90.5Very high1 Ų155.4 Ų55.41%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-135.9139.7-177.3-162.4161000109.3Q382 I384 G991 A992 L1024 F1027Q382-I975 HydrophobicContact CB-CD1 3.8Å; Q382-I975 HydrophobicContact CB-CG1 4.29Å; Q382-I975 HydrophobicContact CG-CD1 3.93Å; Q382-I975 HydrophobicContact CG-CG1 4.27Å; I384-I975 HydrophobicContact CG1-CD1 4.49Å; I975-G991 CarbonylContact O-C 3.27Å; I975-G991 WeakPolarHBondContact O-CA 3.38Å; I975-A992 HydrophobicContact CG2-CB 3.51Å; I975-A992 PolarHBondContact O-N 2.87Å; I975-L1024 HydrophobicContact CG2-CD2 4.18Å; I975-F1027 HydrophobicContact CD1-CB 3.9Å; I975-F1027 HydrophobicContact CG1-CB 4.37Å; I975-F1027 HydrophobicContact CG1-CD1 4.31Å; I975-F1027 HydrophobicContact CG2-CD1 4.02Å; I975-F1027 HydrophobicContact CG2-CE1 4.27Å; I975-F1027 HydrophobicContact CG2-CG 4.18Å
976A94.8Very high90.3Very high1 Ų155 Ų551%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-146.8154.5173.200000110.4W920 I931 L938 L989 C990W920-A976 HydrophobicContact CD2-CB 4.1Å; W920-A976 VanDerWaalsContact CE2-O 3.27Å; W920-A976 HydrophobicContact CE3-CB 3.91Å; W920-A976 HydrophobicContact CH2-CB 3.94Å; W920-A976 HydrophobicContact CZ2-CB 4.14Å; W920-A976 HydrophobicContact CZ3-CB 3.83Å; W920-A976 PolarHBondContact NE1-O 3.27Å; W920-A976 VanDerWaalsContact NE1-O 3.08Å; I931-A976 HydrophobicContact CD1-CB 3.74Å; I931-A976 HydrophobicContact CG1-CB 4.34Å; L938-A976 HydrophobicContact CD2-CB 4.41Å; A976-L989 HydrophobicContact CB-CD2 4.46Å; A976-C990 CarbonylContact C-O 3.51Å; A976-C990 VanDerWaalsContact CA-O 3.25Å; A976-C990 WeakPolarHBondContact CA-O 3.36Å
977T94.3Very high90.3Very high15 Ų1551.7 Ų51.79%0.09226%0.264CS..EExtended strand (participates in β ladder)trans-151.6154.6-175.71780000109.5L989 C990 F1027 L1029T977-L989 WeakPolarHBondContact O-CA 3.29Å; T977-C990 HydrophobicContact CG2-CB 4.48Å; T977-C990 PolarHBondContact N-O 2.79Å; T977-C990 PolarHBondContact O-N 2.78Å; T977-F1027 HydrophobicContact CG2-CD1 3.54Å; T977-F1027 HydrophobicContact CG2-CE1 3.73Å; T977-F1027 WeakPolarHBondContact CG2-O 3.47Å; T977-L1029 HydrophobicContact CG2-CD1 3.72Å; T977-L1029 HydrophobicContact CG2-CD2 4.18Å; T977-L1029 HydrophobicContact CG2-CG 3.61Å
978V94.5Very high90.4Very high31 Ų3151.2 Ų51.219%0.18826%0.26CS..EExtended strand (participates in β ladder)trans-130.4133.7-177.3-179.10000110.6W920 F922 Y988 L989 F1009W920-V978 HydrophobicContact CH2-CG2 3.97Å; W920-V978 HydrophobicContact CZ2-CG2 4.06Å; F922-V978 HydrophobicContact CD1-CB 4.15Å; F922-V978 HydrophobicContact CD1-CG1 4.29Å; F922-V978 HydrophobicContact CD1-CG2 3.6Å; F922-V978 HydrophobicContact CD2-CB 4.38Å; F922-V978 HydrophobicContact CD2-CG2 4.42Å; F922-V978 HydrophobicContact CE1-CB 3.97Å; F922-V978 HydrophobicContact CE1-CG1 3.65Å; F922-V978 HydrophobicContact CE1-CG2 3.84Å; F922-V978 HydrophobicContact CE2-CB 4.23Å; F922-V978 HydrophobicContact CE2-CG1 4.35Å; F922-V978 HydrophobicContact CG-CB 4.34Å; F922-V978 HydrophobicContact CG-CG2 3.91Å; F922-V978 HydrophobicContact CZ-CB 4.01Å; F922-V978 HydrophobicContact CZ-CG1 3.69Å; F922-V978 HydrophobicContact CZ-CG2 4.37Å; V978-Y988 VanDerWaalsContact CA-O 3.32Å; V978-Y988 WeakPolarHBondContact CA-O 3.31Å; V978-Y988 WeakPolarHBondContact CG1-O 3.09Å; V978-L989 HydrophobicContact CG2-CB 3.84Å; V978-L989 HydrophobicContact CG2-CD1 3.96Å; V978-L989 HydrophobicContact CG2-CG 3.78Å; V978-F1009 HydrophobicContact CG1-CZ 4.14Å
979V92.7Very high90.7Very high26 Ų2647.3 Ų47.316%0.15824%0.235CC..EExtended strand (participates in β ladder)trans-127.6152.8178720000111K987 Y988 L1029 I1031 P1038V979-K987 CarbonylContact O-C 3.55Å; V979-K987 WeakPolarHBondContact O-CA 3.35Å; V979-Y988 PolarHBondContact N-O 3.3Å; V979-Y988 PolarHBondContact O-N 2.77Å; V979-L1029 HydrophobicContact CB-CB 3.79Å; V979-L1029 HydrophobicContact CB-CD1 3.79Å; V979-L1029 HydrophobicContact CB-CG 4.44Å; V979-L1029 HydrophobicContact CG1-CB 3.88Å; V979-L1029 HydrophobicContact CG1-CD1 3.5Å; V979-L1029 VanDerWaalsContact CG1-CD1 3.5Å; V979-L1029 HydrophobicContact CG1-CG 4.34Å; V979-L1029 HydrophobicContact CG2-CB 4.18Å; V979-I1031 HydrophobicContact CG1-CD1 3.85Å; V979-I1031 HydrophobicContact CG2-CD1 3.86Å; V979-I1031 HydrophobicContact CG2-CG1 3.64Å; V979-P1038 HydrophobicContact CG1-CB 4.11Å; V979-P1038 HydrophobicContact CG1-CG 4.01Å
980R90.7Very high90.9Very high101 Ų10141.1 Ų41.138%0.38120%0.202SC..EExtended strand (participates in β ladder)trans-106.3123169.8-175.6-168.6-168.1143.3-1.1109.5E739 Q982 M986 K987E739-R980 IonicContact OE1-CZ 3.72Å; E739-R980 VanDerWaalsContact OE1-CZ 3.27Å; E739-R980 IonicContact OE1-NH1 2.84Å; E739-R980 PolarHBondContact OE1-NH1 3.02Å; E739-R980 IonicContact OE1-NH2 2.68Å; E739-R980 PolarHBondContact OE1-NH2 2.87Å; E739-R980 IonicContact OE2-CZ 2.74Å; E739-R980 IonicContact OE2-NH1 3.71Å; E739-R980 PolarHBondContact OE2-NH1 2.96Å; E739-R980 IonicContact OE2-NH2 3.64Å; R980-Q982 PolarHBondContact O-N 3.23Å; R980-M986 CarbonylContact C-O 3.45Å; R980-M986 WeakPolarHBondContact CA-O 3.47Å; R980-K987 HydrophobicContact CB-CG 4.12Å; R980-K987 HydrophobicContact CG-CG 4.19Å
981N87.7Confident90.9Very high1 Ų141.1 Ų41.11%0.00520%0.202CC..  trans-74.293.3165.8-171.8-35.5000108.7F983 K984 G985 M986 Y988 I1031N981-F983 PolarHBondContact O-N 2.85Å; N981-F983 VanDerWaalsContact O-N 3.15Å; N981-F983 PolarHBondContact OD1-N 2.8Å; N981-K984 HydrophobicContact CB-CB 4.43Å; N981-K984 PolarHBondContact O-N 3.44Å; N981-K984 PolarHBondContact OD1-N 2.84Å; N981-G985 PolarHBondContact O-N 2.82Å; N981-M986 PolarHBondContact N-O 3.06Å; N981-Y988 HydrophobicContact CB-CE2 4.05Å; N981-I1031 HydrophobicContact CB-CD1 3.93Å; N981-I1031 HydrophobicContact CB-CG2 4.29Å
982Q82.6Confident91Very high124 Ų12433.8 Ų33.858%0.57917%0.174SC*.THydrogen-bonded Turntrans-56.3-30-177.260.5-173.8-13.600113.7R980R980-Q982 PolarHBondContact O-N 3.23Å
983F83Confident91.1Very high93 Ų9333 Ų3341%0.40816%0.164SC..THydrogen-bonded Turntrans-77-20.3179.6-48.8-72.6000113.8N981 I1031 P1033 T1089N981-F983 PolarHBondContact O-N 2.85Å; N981-F983 VanDerWaalsContact O-N 3.15Å; N981-F983 PolarHBondContact OD1-N 2.8Å; F983-I1031 HydrophobicContact CD2-CG2 3.74Å; F983-I1031 HydrophobicContact CE2-CG2 3.8Å; F983-P1033 HydrophobicContact CD1-CB 4.43Å; F983-P1033 HydrophobicContact CD2-CB 3.99Å; F983-P1033 HydrophobicContact CD2-CG 3.96Å; F983-P1033 HydrophobicContact CE1-CG 4.27Å; F983-P1033 HydrophobicContact CE2-CB 4.25Å; F983-P1033 HydrophobicContact CE2-CG 3.69Å; F983-P1033 HydrophobicContact CG-CB 4.11Å; F983-P1033 HydrophobicContact CG-CG 4.38Å; F983-P1033 HydrophobicContact CZ-CG 3.88Å; F983-T1089 HydrophobicContact CE1-CG2 4.06Å; F983-T1089 HydrophobicContact CE2-CG2 4.26Å; F983-T1089 HydrophobicContact CZ-CG2 3.45Å; F983-T1089 VanDerWaalsContact CZ-CG2 3.45Å
984K82.6Confident90.8Very high91 Ų9138 Ų3840%0.39619%0.191SC..THydrogen-bonded Turntrans-123.9-5.4-174.5-64.9177.1-177.8166.60113.6N981 M986 P1033 Q1035N981-K984 HydrophobicContact CB-CB 4.43Å; N981-K984 PolarHBondContact O-N 3.44Å; N981-K984 PolarHBondContact OD1-N 2.84Å; K984-M986 HydrophobicContact CB-CG 4.3Å; K984-M986 PolarHBondContact O-N 2.85Å; K984-M986 VanDerWaalsContact O-N 3.13Å; K984-P1033 PolarHBondContact NZ-O 2.91Å; K984-Q1035 PolarHBondContact NZ-O 3.1Å
985G81.8Confident90.8Very high48 Ų4841.7 Ų41.750%0.49521%0.207SC..  trans72.9-9.3-178.700000115.5N981N981-G985 PolarHBondContact O-N 2.82Å
986M87.7Confident90.8Very high63 Ų6342.2 Ų42.231%0.3121%0.211SC..  trans-73.7144.9-176.7-53.3-53.5-75.900111.7R980 N981 K984 Y988 E1001R980-M986 CarbonylContact C-O 3.45Å; R980-M986 WeakPolarHBondContact CA-O 3.47Å; N981-M986 PolarHBondContact N-O 3.06Å; K984-M986 HydrophobicContact CB-CG 4.3Å; K984-M986 PolarHBondContact O-N 2.85Å; K984-M986 VanDerWaalsContact O-N 3.13Å; M986-Y988 HydrophobicContact CB-CE2 4.02Å; M986-E1001 HydrophobicContact CE-CG 3.78Å; M986-E1001 WeakPolarHBondContact CE-OE1 3.34Å
987K93.4Very high90.8Very high39 Ų3942.2 Ų42.217%0.1721%0.211CC..EExtended strand (participates in β ladder)trans-108.5136.1167.7-71.8-157.4177.1-165.40110.5F924 V979 R980 W1002 F1009F924-K987 HydrophobicContact CD1-CD 4.18Å; F924-K987 HydrophobicContact CD2-CD 4Å; F924-K987 HydrophobicContact CE1-CD 4.04Å; F924-K987 HydrophobicContact CE1-CG 4.48Å; F924-K987 HydrophobicContact CE2-CD 3.87Å; F924-K987 HydrophobicContact CG-CD 4.16Å; F924-K987 HydrophobicContact CZ-CD 3.89Å; F924-K987 HydrophobicContact CZ-CG 4.44Å; V979-K987 CarbonylContact O-C 3.55Å; V979-K987 WeakPolarHBondContact O-CA 3.35Å; R980-K987 HydrophobicContact CB-CG 4.12Å; R980-K987 HydrophobicContact CG-CG 4.19Å; K987-W1002 HydrophobicContact CB-CB 4.17Å; K987-W1002 PolarHBondContact O-N 3.33Å; K987-F1009 HydrophobicContact CB-CE1 4.4Å
988Y95.3Very high90.9Very high7 Ų741.5 Ų41.53%0.02721%0.207CC..EExtended strand (participates in β ladder)trans-120.9133.9178.4-59.6-71.8000110.5V978 V979 N981 M986 M1000 E1001 T1036 L1037V978-Y988 VanDerWaalsContact CA-O 3.32Å; V978-Y988 WeakPolarHBondContact CA-O 3.31Å; V978-Y988 WeakPolarHBondContact CG1-O 3.09Å; V979-Y988 PolarHBondContact N-O 3.3Å; V979-Y988 PolarHBondContact O-N 2.77Å; N981-Y988 HydrophobicContact CB-CE2 4.05Å; M986-Y988 HydrophobicContact CB-CE2 4.02Å; Y988-M1000 CarbonylContact C-O 3.59Å; Y988-M1000 VanDerWaalsContact CA-O 3.24Å; Y988-M1000 WeakPolarHBondContact CA-O 3.49Å; Y988-E1001 HydrophobicContact CD1-CB 3.9Å; Y988-E1001 HydrophobicContact CD1-CG 4.09Å; Y988-E1001 HydrophobicContact CE1-CB 3.88Å; Y988-E1001 HydrophobicContact CE1-CG 3.73Å; Y988-E1001 WeakPolarHBondContact CE1-OE2 3.3Å; Y988-T1036 WeakPolarHBondContact CE2-O 3.5Å; Y988-T1036 VanDerWaalsContact CZ-O 3.28Å; Y988-T1036 PolarHBondContact OH-O 2.65Å; Y988-L1037 HydrophobicContact CD1-CD2 4.12Å; Y988-L1037 HydrophobicContact CE1-CD2 3.69Å
989L96.9Very high91Very high0 Ų040 Ų400%020%0.198CC..EExtended strand (participates in β ladder)trans-104.9123.4169.1-177.6160.5000107.6W920 M929 L938 A976 T977 V978 M1000 F1009W920-L989 HydrophobicContact CH2-CD1 3.85Å; W920-L989 HydrophobicContact CH2-CG 4.31Å; W920-L989 HydrophobicContact CZ3-CD1 4.26Å; M929-L989 HydrophobicContact CB-CD1 3.92Å; M929-L989 HydrophobicContact CE-CD1 4.16Å; M929-L989 HydrophobicContact CG-CD1 3.74Å; L938-L989 HydrophobicContact CD1-CD2 4.13Å; A976-L989 HydrophobicContact CB-CD2 4.46Å; T977-L989 WeakPolarHBondContact O-CA 3.29Å; V978-L989 HydrophobicContact CG2-CB 3.84Å; V978-L989 HydrophobicContact CG2-CD1 3.96Å; V978-L989 HydrophobicContact CG2-CG 3.78Å; L989-M1000 HydrophobicContact CB-CB 4.35Å; L989-M1000 HydrophobicContact CD2-CG 4.45Å; L989-M1000 HydrophobicContact CD2-SD 4.17Å; L989-M1000 PolarHBondContact N-O 2.64Å; L989-M1000 PolarHBondContact O-N 3.22Å; L989-F1009 HydrophobicContact CB-CD1 3.68Å; L989-F1009 HydrophobicContact CB-CE1 3.76Å; L989-F1009 HydrophobicContact CB-CG 4.13Å; L989-F1009 HydrophobicContact CB-CZ 4.25Å; L989-F1009 HydrophobicContact CD1-CD2 4.2Å; L989-F1009 HydrophobicContact CD1-CE2 4.37Å; L989-F1009 HydrophobicContact CD1-CG 4.35Å
990C97.2Very high91.2Very high0 Ų039 Ų390%019%0.191CC..EExtended strand (participates in β ladder)trans-113.8149.2172.1-57.70000109.7A976 T977 I997 L998 F1027 L1029A976-C990 CarbonylContact C-O 3.51Å; A976-C990 VanDerWaalsContact CA-O 3.25Å; A976-C990 WeakPolarHBondContact CA-O 3.36Å; T977-C990 HydrophobicContact CG2-CB 4.48Å; T977-C990 PolarHBondContact N-O 2.79Å; T977-C990 PolarHBondContact O-N 2.78Å; C990-I997 HydrophobicContact CB-CG2 4.37Å; C990-L998 VanDerWaalsContact CA-O 3.25Å; C990-L998 WeakPolarHBondContact CA-O 3.45Å; C990-F1027 HydrophobicContact CB-CE1 4.3Å; C990-F1027 HydrophobicContact CB-CZ 4.41Å; C990-L1029 HydrophobicContact CB-CD1 3.99Å; C990-L1029 HydrophobicContact CB-CD2 3.97Å
991G95.4Very high91.4Very high0 Ų036.4 Ų36.40%018%0.183CC..EExtended strand (participates in β ladder)trans-152.3139.6175.900000112.6I975 L998I975-G991 CarbonylContact O-C 3.27Å; I975-G991 WeakPolarHBondContact O-CA 3.38Å; G991-L998 PolarHBondContact N-O 3Å; G991-L998 PolarHBondContact O-N 2.83Å
992A94.7Very high91.7Very high0 Ų036.9 Ų36.90%019%0.185CC..EExtended strand (participates in β ladder)trans-86.1131.8177.300000110.4C973 Y974 I975 S996 M1020 L1024 F1027C973-A992 WeakPolarHBondContact CA-O 3.37Å; Y974-A992 HydrophobicContact CE1-CB 3.98Å; Y974-A992 HydrophobicContact CE2-CB 4.34Å; Y974-A992 PolarHBondContact N-O 2.8Å; I975-A992 HydrophobicContact CG2-CB 3.51Å; I975-A992 PolarHBondContact O-N 2.87Å; A992-S996 WeakPolarHBondContact CA-O 3.29Å; A992-M1020 HydrophobicContact CB-CE 4.02Å; A992-L1024 HydrophobicContact CB-CD2 3.97Å; A992-F1027 HydrophobicContact CB-CE2 3.88Å; A992-F1027 HydrophobicContact CB-CZ 4.01Å
993I92.7Very high92.2Very high10 Ų1035.4 Ų35.45%0.05118%0.175CC..EExtended strand (participates in β ladder)trans-133.9105.1179.4-60.4157.8000106.4T970 C973 K995 S996 L998T970-I993 HydrophobicContact CG2-CD1 3.95Å; C973-I993 HydrophobicContact CB-CD1 4.32Å; C973-I993 HydrophobicContact CB-CG1 3.62Å; I993-K995 PolarHBondContact O-N 2.8Å; I993-S996 PolarHBondContact N-O 2.93Å; I993-S996 PolarHBondContact O-N 3.08Å; I993-S996 PolarHBondContact O-OG 3.44Å; I993-L998 HydrophobicContact CD1-CB 3.8Å; I993-L998 HydrophobicContact CD1-CD2 4.08Å
994D88.3Confident92.3Very high105 Ų10535.6 Ų35.656%0.56118%0.18SC*.THydrogen-bonded Turntrans49-126.4-174.9-169.574.1000110.7S996 M1020D994-S996 PolarHBondContact O-N 3.36Å; D994-M1020 WeakPolarHBondContact O-CE 3.48Å
995K89.3Confident92.4Very high119 Ų11936 Ų3652%0.51719%0.193SC..THydrogen-bonded Turntrans-85.432176.5-64.7-177172.1-142.90114.2I993 V1017 P1018I993-K995 PolarHBondContact O-N 2.8Å; K995-V1017 CarbonylContact O-C 3.52Å; K995-V1017 PolarHBondContact O-N 3.29Å; K995-P1018 WeakPolarHBondContact CD-O 3.42Å; K995-P1018 WeakPolarHBondContact CE-O 3.5Å; K995-P1018 PolarHBondContact NZ-O 2.9Å
996S92.2Very high92.3Very high13 Ų1342.5 Ų42.59%0.09120%0.202CC..EExtended strand (participates in β ladder)trans-142.3150-178.771.70000114.2A992 I993 D994 V1015A992-S996 WeakPolarHBondContact CA-O 3.29Å; I993-S996 PolarHBondContact N-O 2.93Å; I993-S996 PolarHBondContact O-N 3.08Å; I993-S996 PolarHBondContact O-OG 3.44Å; D994-S996 PolarHBondContact O-N 3.36Å; S996-V1015 CarbonylContact C-O 3.58Å; S996-V1015 VanDerWaalsContact CA-O 3.28Å; S996-V1015 WeakPolarHBondContact CA-O 3.44Å
997I94.6Very high92.2Very high0 Ų043 Ų430%021%0.206CC..EExtended strand (participates in β ladder)trans-105.7116.1169.3-58.7178.8000108.1C990 V999 R1014 V1015 V1017 M1020 F1027 V1040 L1042 V1058 L1060C990-I997 HydrophobicContact CB-CG2 4.37Å; I997-V999 HydrophobicContact CG2-CG2 4.36Å; I997-R1014 CarbonylContact O-C 3.54Å; I997-R1014 WeakPolarHBondContact O-CA 3.49Å; I997-V1015 PolarHBondContact N-O 2.84Å; I997-V1015 PolarHBondContact O-N 2.86Å; I997-V1017 HydrophobicContact CD1-CG2 3.91Å; I997-V1017 HydrophobicContact CG1-CG2 4Å; I997-M1020 HydrophobicContact CG1-CE 4.07Å; I997-F1027 HydrophobicContact CD1-CE2 4.1Å; I997-F1027 HydrophobicContact CG1-CE2 4.12Å; I997-F1027 HydrophobicContact CG1-CZ 4.45Å; I997-F1027 HydrophobicContact CG2-CZ 4.15Å; I997-V1040 HydrophobicContact CD1-CB 4.24Å; I997-V1040 HydrophobicContact CD1-CG1 4.39Å; I997-V1040 HydrophobicContact CD1-CG2 4.04Å; I997-V1040 HydrophobicContact CG2-CG2 4.48Å; I997-L1042 HydrophobicContact CD1-CD2 4.18Å; I997-V1058 HydrophobicContact CD1-CB 4.41Å; I997-V1058 HydrophobicContact CD1-CG1 4.25Å; I997-L1060 HydrophobicContact CB-CD2 4.4Å; I997-L1060 HydrophobicContact CD1-CD2 4.44Å; I997-L1060 HydrophobicContact CG2-CD2 4.01Å
998L96Very high92.1Very high0 Ų042.5 Ų42.50%021%0.206CC..EExtended strand (participates in β ladder)trans-77.4136.9166.1170.268.6000109.6L938 T970 C990 G991 I993 M1000 E1011L938-L998 HydrophobicContact CD1-CD2 3.88Å; T970-L998 HydrophobicContact CG2-CD2 3.49Å; T970-L998 VanDerWaalsContact CG2-CD2 3.49Å; C990-L998 VanDerWaalsContact CA-O 3.25Å; C990-L998 WeakPolarHBondContact CA-O 3.45Å; G991-L998 PolarHBondContact N-O 3Å; G991-L998 PolarHBondContact O-N 2.83Å; I993-L998 HydrophobicContact CD1-CB 3.8Å; I993-L998 HydrophobicContact CD1-CD2 4.08Å; L998-M1000 HydrophobicContact CD1-CG 4.12Å; L998-M1000 HydrophobicContact CD2-CG 3.94Å; L998-M1000 HydrophobicContact CD2-SD 3.89Å; L998-M1000 HydrophobicContact CG-CG 3.85Å; L998-M1000 HydrophobicContact CG-SD 4.47Å; L998-E1011 HydrophobicContact CD1-CB 4.13Å; L998-E1011 HydrophobicContact CD1-CG 3.5Å; L998-E1011 WeakPolarHBondContact CD1-OE1 3.36Å
999V96.1Very high92.1Very high0 Ų042.5 Ų42.50%021%0.206CC..EExtended strand (participates in β ladder)trans-122.3120175.8-166.10000109.4I997 V1012 K1013 L1037 L1060I997-V999 HydrophobicContact CG2-CG2 4.36Å; V999-V1012 PolarHBondContact O-N 3.39Å; V999-K1013 WeakPolarHBondContact CA-O 3.49Å; V999-K1013 HydrophobicContact CB-CB 4.47Å; V999-K1013 WeakPolarHBondContact CB-O 3.23Å; V999-K1013 PolarHBondContact N-O 3.39Å; V999-K1013 PolarHBondContact O-N 3.2Å; V999-L1037 HydrophobicContact CG1-CD1 4.42Å; V999-L1037 HydrophobicContact CG1-CD2 4.14Å; V999-L1060 HydrophobicContact CG1-CD1 4.21Å; V999-L1060 HydrophobicContact CG2-CB 4.47Å; V999-L1060 HydrophobicContact CG2-CD1 3.72Å; V999-L1060 HydrophobicContact CG2-CD2 4Å; V999-L1060 HydrophobicContact CG2-CG 4.28Å
1000M97Very high91.9Very high5 Ų544.8 Ų44.83%0.02522%0.218CC..EExtended strand (participates in β ladder)trans-121.5143.9177.5-49.1-174.879.900111.6V967 Y988 L989 L998 F1009 I1010V967-M1000 HydrophobicContact CG1-CE 3.97Å; Y988-M1000 CarbonylContact C-O 3.59Å; Y988-M1000 VanDerWaalsContact CA-O 3.24Å; Y988-M1000 WeakPolarHBondContact CA-O 3.49Å; L989-M1000 HydrophobicContact CB-CB 4.35Å; L989-M1000 HydrophobicContact CD2-CG 4.45Å; L989-M1000 HydrophobicContact CD2-SD 4.17Å; L989-M1000 PolarHBondContact N-O 2.64Å; L989-M1000 PolarHBondContact O-N 3.22Å; L998-M1000 HydrophobicContact CD1-CG 4.12Å; L998-M1000 HydrophobicContact CD2-CG 3.94Å; L998-M1000 HydrophobicContact CD2-SD 3.89Å; L998-M1000 HydrophobicContact CG-CG 3.85Å; L998-M1000 HydrophobicContact CG-SD 4.47Å; M1000-F1009 HydrophobicContact CB-CB 4.01Å; M1000-F1009 HydrophobicContact CB-CD1 4.45Å; M1000-F1009 HydrophobicContact CE-CB 4.17Å; M1000-F1009 HydrophobicContact SD-CB 4.34Å; M1000-I1010 CarbonylContact C-O 3.59Å; M1000-I1010 WeakPolarHBondContact CA-O 3.43Å; M1000-I1010 VanDerWaalsContact CB-O 3.28Å; M1000-I1010 WeakPolarHBondContact CB-O 3.36Å
1001E95Very high91.8Very high46 Ų4649 Ų4922%0.21524%0.238CC..EExtended strand (participates in β ladder)trans-112.9144176.6-179-175.711000110.8M986 Y988 Y1003 F1009 I1010 V1012M986-E1001 HydrophobicContact CE-CG 3.78Å; M986-E1001 WeakPolarHBondContact CE-OE1 3.34Å; Y988-E1001 HydrophobicContact CD1-CB 3.9Å; Y988-E1001 HydrophobicContact CD1-CG 4.09Å; Y988-E1001 HydrophobicContact CE1-CB 3.88Å; Y988-E1001 HydrophobicContact CE1-CG 3.73Å; Y988-E1001 WeakPolarHBondContact CE1-OE2 3.3Å; E1001-Y1003 PolarHBondContact O-N 3.46Å; E1001-F1009 CarbonylContact O-C 3.47Å; E1001-F1009 VanDerWaalsContact O-CA 3.3Å; E1001-F1009 WeakPolarHBondContact O-CA 3.28Å; E1001-I1010 PolarHBondContact N-O 2.93Å; E1001-I1010 PolarHBondContact O-N 3.47Å; E1001-V1012 HydrophobicContact CB-CG2 3.49Å; E1001-V1012 VanDerWaalsContact CB-CG2 3.49Å
1002W94.9Very high91.7Very high11 Ų1152.4 Ų52.44%0.04226%0.258CS..EExtended strand (participates in β ladder)trans-70.5108.2173.8177.7-95.4000112.4F924 K925 T927 K987 N1004 N1007 F1009F924-W1002 AromaticContact CD1-CD2 3.52Å; F924-W1002 HydrophobicContact CD1-CD2 3.52Å; F924-W1002 AromaticContact CD1-CE2 3.67Å; F924-W1002 AromaticContact CD1-CE3 3.72Å; F924-W1002 HydrophobicContact CD1-CE3 3.72Å; F924-W1002 AromaticContact CD1-CG 3.96Å; F924-W1002 HydrophobicContact CD1-CG 3.96Å; F924-W1002 HydrophobicContact CD1-CH2 4.13Å; F924-W1002 AromaticContact CD1-CZ2 3.99Å; F924-W1002 HydrophobicContact CD1-CZ2 3.99Å; F924-W1002 HydrophobicContact CD1-CZ3 4.01Å; F924-W1002 AromaticContact CE1-CD1 3.79Å; F924-W1002 AromaticContact CE1-CD2 3.78Å; F924-W1002 HydrophobicContact CE1-CD2 3.78Å; F924-W1002 AromaticContact CE1-CE2 3.72Å; F924-W1002 HydrophobicContact CE1-CE3 4.44Å; F924-W1002 AromaticContact CE1-CG 3.81Å; F924-W1002 HydrophobicContact CE1-CG 3.81Å; F924-W1002 HydrophobicContact CE1-CZ2 4.3Å; F924-W1002 AromaticContact CE1-NE1 3.74Å; K925-W1002 HydrophobicContact CD-CZ2 3.91Å; K925-W1002 HydrophobicContact CG-CZ2 4.24Å; T927-W1002 HydrophobicContact CG2-CZ3 4.33Å; K987-W1002 HydrophobicContact CB-CB 4.17Å; K987-W1002 PolarHBondContact O-N 3.33Å; W1002-N1004 PolarHBondContact NE1-OD1 3.16Å; W1002-N1004 PolarHBondContact O-N 3.46Å; W1002-N1007 HydrophobicContact CH2-CB 4.13Å; W1002-N1007 VanDerWaalsContact CH2-O 3.24Å; W1002-N1007 WeakPolarHBondContact CH2-O 3.39Å; W1002-N1007 VanDerWaalsContact CZ2-CA 3.49Å; W1002-N1007 HydrophobicContact CZ2-CB 3.91Å; W1002-F1009 HydrophobicContact CB-CD1 4.16Å; W1002-F1009 HydrophobicContact CB-CE1 3.91Å; W1002-F1009 HydrophobicContact CB-CZ 4.38Å; W1002-F1009 AromaticContact CE3-CD2 3.75Å; W1002-F1009 HydrophobicContact CE3-CD2 3.75Å; W1002-F1009 HydrophobicContact CE3-CE1 4.45Å; W1002-F1009 AromaticContact CE3-CE2 3.67Å; W1002-F1009 HydrophobicContact CE3-CE2 3.67Å; W1002-F1009 HydrophobicContact CE3-CG 4.2Å; W1002-F1009 HydrophobicContact CE3-CZ 4.03Å; W1002-F1009 HydrophobicContact CZ3-CD2 4.16Å; W1002-F1009 HydrophobicContact CZ3-CE2 4.11Å
1003Y91.5Very high91.5Very high93 Ų9354.5 Ų54.537%0.36527%0.268SS..EExtended strand (participates in β ladder)trans-95.293.6-179.8-169.9-110.7000111.7E1001 P1005 R1006 N1007 T1008 I1010E1001-Y1003 PolarHBondContact O-N 3.46Å; Y1003-P1005 VanDerWaalsContact C-CD 3.45Å; Y1003-P1005 VanDerWaalsContact C-N 3.34Å; Y1003-P1005 HydrophobicContact CD1-CB 4.25Å; Y1003-P1005 HydrophobicContact CD1-CG 4.36Å; Y1003-P1005 HydrophobicContact CE1-CB 3.67Å; Y1003-P1005 HydrophobicContact CE1-CG 3.85Å; Y1003-P1005 HydrophobicContact CE2-CG 4.16Å; Y1003-P1005 VanDerWaalsContact O-N 3.15Å; Y1003-R1006 HydrophobicContact CD1-CB 3.95Å; Y1003-R1006 HydrophobicContact CD1-CG 3.75Å; Y1003-R1006 HydrophobicContact CE1-CG 3.94Å; Y1003-R1006 PolarHBondContact O-N 2.83Å; Y1003-N1007 PolarHBondContact O-N 2.85Å; Y1003-N1007 VanDerWaalsContact O-N 3.15Å; Y1003-T1008 PolarHBondContact N-O 2.88Å; Y1003-I1010 HydrophobicContact CD2-CD1 3.86Å; Y1003-I1010 HydrophobicContact CG-CD1 3.81Å; Y1003-I1010 HydrophobicContact CG-CG2 4.45Å
1004N85.7Confident91.5Very high97 Ų9758.1 Ų58.152%0.51928%0.28SS..G310 helixtrans-43.9-45.4-179.6-91.7-37.5000114.9K925 W1002 R1006 N1007K925-N1004 PolarHBondContact NZ-OD1 3.5Å; W1002-N1004 PolarHBondContact NE1-OD1 3.16Å; W1002-N1004 PolarHBondContact O-N 3.46Å; N1004-R1006 PolarHBondContact O-N 2.88Å; N1004-R1006 VanDerWaalsContact O-N 3.09Å; N1004-N1007 PolarHBondContact O-N 3.25Å; N1004-N1007 PolarHBondContact O-OD1 2.85Å
1005P84Confident91.7Very high101 Ų10153.8 Ų53.866%0.65626%0.258SS*.G310 helixtrans-66.5-9.2-178.6-21.833.8000115.9Y1003Y1003-P1005 VanDerWaalsContact C-CD 3.45Å; Y1003-P1005 VanDerWaalsContact C-N 3.34Å; Y1003-P1005 HydrophobicContact CD1-CB 4.25Å; Y1003-P1005 HydrophobicContact CD1-CG 4.36Å; Y1003-P1005 HydrophobicContact CE1-CB 3.67Å; Y1003-P1005 HydrophobicContact CE1-CG 3.85Å; Y1003-P1005 HydrophobicContact CE2-CG 4.16Å; Y1003-P1005 VanDerWaalsContact O-N 3.15Å
1006R79.9Confident91.7Very high184 Ų18453.4 Ų53.469%0.69426%0.258SS*.G310 helixtrans-117.2-1.3169.8-66.3177.7-179174.72.3113.3Y1003 N1004 T1008Y1003-R1006 HydrophobicContact CD1-CB 3.95Å; Y1003-R1006 HydrophobicContact CD1-CG 3.75Å; Y1003-R1006 HydrophobicContact CE1-CG 3.94Å; Y1003-R1006 PolarHBondContact O-N 2.83Å; N1004-R1006 PolarHBondContact O-N 2.88Å; N1004-R1006 VanDerWaalsContact O-N 3.09Å; R1006-T1008 VanDerWaalsContact C-N 3.26Å; R1006-T1008 HydrophobicContact CB-CG2 3.87Å; R1006-T1008 PolarHBondContact O-N 3.33Å
1007N87.3Confident91.6Very high72 Ų7253.2 Ų53.239%0.38526%0.256SS..THydrogen-bonded Turntrans41.251.2-168.6-75.7-42.6000112.9K925 T927 W1002 Y1003 N1004K925-N1007 PolarHBondContact NZ-OD1 2.82Å; T927-N1007 PolarHBondContact OG1-O 3.09Å; W1002-N1007 HydrophobicContact CH2-CB 4.13Å; W1002-N1007 VanDerWaalsContact CH2-O 3.24Å; W1002-N1007 WeakPolarHBondContact CH2-O 3.39Å; W1002-N1007 VanDerWaalsContact CZ2-CA 3.49Å; W1002-N1007 HydrophobicContact CZ2-CB 3.91Å; Y1003-N1007 PolarHBondContact O-N 2.85Å; Y1003-N1007 VanDerWaalsContact O-N 3.15Å; N1004-N1007 PolarHBondContact O-N 3.25Å; N1004-N1007 PolarHBondContact O-OD1 2.85Å
1008T90.8Very high90.9Very high30 Ų3055 Ų5518%0.18427%0.268CS..EExtended strand (participates in β ladder)trans-153.3160.5174.3-174.40000110.1S940 Y1003 R1006 I1010S940-T1008 PolarHBondContact OG-OG1 2.92Å; Y1003-T1008 PolarHBondContact N-O 2.88Å; R1006-T1008 VanDerWaalsContact C-N 3.26Å; R1006-T1008 HydrophobicContact CB-CG2 3.87Å; R1006-T1008 PolarHBondContact O-N 3.33Å; T1008-I1010 HydrophobicContact CG2-CG2 4.45Å
1009F94.3Very high90.1Very high7 Ų758.5 Ų58.53%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-68.2140.8165-68.5-85.5000110.9F922 M929 V978 K987 L989 M1000 E1001 W1002F922-F1009 HydrophobicContact CE1-CE2 4.32Å; F922-F1009 HydrophobicContact CE1-CZ 4.22Å; M929-F1009 HydrophobicContact CG-CD2 3.59Å; M929-F1009 HydrophobicContact CG-CE2 3.94Å; M929-F1009 HydrophobicContact SD-CD2 3.9Å; V978-F1009 HydrophobicContact CG1-CZ 4.14Å; K987-F1009 HydrophobicContact CB-CE1 4.4Å; L989-F1009 HydrophobicContact CB-CD1 3.68Å; L989-F1009 HydrophobicContact CB-CE1 3.76Å; L989-F1009 HydrophobicContact CB-CG 4.13Å; L989-F1009 HydrophobicContact CB-CZ 4.25Å; L989-F1009 HydrophobicContact CD1-CD2 4.2Å; L989-F1009 HydrophobicContact CD1-CE2 4.37Å; L989-F1009 HydrophobicContact CD1-CG 4.35Å; M1000-F1009 HydrophobicContact CB-CB 4.01Å; M1000-F1009 HydrophobicContact CB-CD1 4.45Å; M1000-F1009 HydrophobicContact CE-CB 4.17Å; M1000-F1009 HydrophobicContact SD-CB 4.34Å; E1001-F1009 CarbonylContact O-C 3.47Å; E1001-F1009 VanDerWaalsContact O-CA 3.3Å; E1001-F1009 WeakPolarHBondContact O-CA 3.28Å; W1002-F1009 HydrophobicContact CB-CD1 4.16Å; W1002-F1009 HydrophobicContact CB-CE1 3.91Å; W1002-F1009 HydrophobicContact CB-CZ 4.38Å; W1002-F1009 AromaticContact CE3-CD2 3.75Å; W1002-F1009 HydrophobicContact CE3-CD2 3.75Å; W1002-F1009 HydrophobicContact CE3-CE1 4.45Å; W1002-F1009 AromaticContact CE3-CE2 3.67Å; W1002-F1009 HydrophobicContact CE3-CE2 3.67Å; W1002-F1009 HydrophobicContact CE3-CG 4.2Å; W1002-F1009 HydrophobicContact CE3-CZ 4.03Å; W1002-F1009 HydrophobicContact CZ3-CD2 4.16Å; W1002-F1009 HydrophobicContact CZ3-CE2 4.11Å
1010I93.6Very high89.6Confident48 Ų4859.7 Ų59.725%0.24630%0.297CS..EExtended strand (participates in β ladder)trans-123143.6172.365.1174.8000109.7M1000 E1001 Y1003 T1008 V1012M1000-I1010 CarbonylContact C-O 3.59Å; M1000-I1010 WeakPolarHBondContact CA-O 3.43Å; M1000-I1010 VanDerWaalsContact CB-O 3.28Å; M1000-I1010 WeakPolarHBondContact CB-O 3.36Å; E1001-I1010 PolarHBondContact N-O 2.93Å; E1001-I1010 PolarHBondContact O-N 3.47Å; Y1003-I1010 HydrophobicContact CD2-CD1 3.86Å; Y1003-I1010 HydrophobicContact CG-CD1 3.81Å; Y1003-I1010 HydrophobicContact CG-CG2 4.45Å; T1008-I1010 HydrophobicContact CG2-CG2 4.45Å; I1010-V1012 PolarHBondContact O-N 2.85Å
1011E94.8Very high88.9Confident88 Ų8859.8 Ų59.841%0.41130%0.298SS..EExtended strand (participates in β ladder)trans-64.4133173.6-180163-166.900110.5L998 R1014L998-E1011 HydrophobicContact CD1-CB 4.13Å; L998-E1011 HydrophobicContact CD1-CG 3.5Å; L998-E1011 WeakPolarHBondContact CD1-OE1 3.36Å; E1011-R1014 IonicContact OE1-NE 2.73Å; E1011-R1014 IonicContact OE1-NH2 3.53Å
1012V92.4Very high88.2Confident71 Ų7164 Ų6443%0.4332%0.322SS..EExtended strand (participates in β ladder)trans-110.9-42.5178.4173.80000110.7V999 E1001 I1010V999-V1012 PolarHBondContact O-N 3.39Å; E1001-V1012 HydrophobicContact CB-CG2 3.49Å; E1001-V1012 VanDerWaalsContact CB-CG2 3.49Å; I1010-V1012 PolarHBondContact O-N 2.85Å
1013K92.2Very high87.3Confident45 Ų4565.9 Ų65.920%0.19634%0.336CS..EExtended strand (participates in β ladder)trans-158.9154.2-176.3-172172175.7-173.70109.8V999 V1015 L1037 L1060 E1062 N1063V999-K1013 WeakPolarHBondContact CA-O 3.49Å; V999-K1013 HydrophobicContact CB-CB 4.47Å; V999-K1013 WeakPolarHBondContact CB-O 3.23Å; V999-K1013 PolarHBondContact N-O 3.39Å; V999-K1013 PolarHBondContact O-N 3.2Å; K1013-V1015 HydrophobicContact CD-CG2 4.2Å; K1013-V1015 HydrophobicContact CG-CG2 4.21Å; K1013-L1037 HydrophobicContact CD-CD1 4.47Å; K1013-L1060 PolarHBondContact NZ-O 3.36Å; K1013-E1062 PolarHBondContact NZ-O 2.9Å; K1013-N1063 PolarHBondContact NZ-OD1 3.07Å
1014R92.2Very high87Confident85 Ų8561.5 Ų61.532%0.32132%0.319SS..EExtended strand (participates in β ladder)trans-119.2140.4162-170.3174.7-65.4-133.19.7108.5D969 I997 E1011D969-R1014 PolarHBondContact O-NH1 2.94Å; D969-R1014 PolarHBondContact O-NH2 3.44Å; I997-R1014 CarbonylContact O-C 3.54Å; I997-R1014 WeakPolarHBondContact O-CA 3.49Å; E1011-R1014 IonicContact OE1-NE 2.73Å; E1011-R1014 IonicContact OE1-NH2 3.53Å
1015V91.7Very high86.8Confident14 Ų1457.8 Ų57.89%0.08530%0.299CS..EExtended strand (participates in β ladder)trans-121.6128.4-178.7179.60000108.4S996 I997 K1013 V1058 L1060S996-V1015 CarbonylContact C-O 3.58Å; S996-V1015 VanDerWaalsContact CA-O 3.28Å; S996-V1015 WeakPolarHBondContact CA-O 3.44Å; I997-V1015 PolarHBondContact N-O 2.84Å; I997-V1015 PolarHBondContact O-N 2.86Å; K1013-V1015 HydrophobicContact CD-CG2 4.2Å; K1013-V1015 HydrophobicContact CG-CG2 4.21Å; V1015-V1058 HydrophobicContact CG1-CG1 4.22Å; V1015-L1060 HydrophobicContact CB-CD2 4.11Å; V1015-L1060 HydrophobicContact CG1-CD2 4.48Å; V1015-L1060 HydrophobicContact CG2-CD2 3.77Å
1016E90.4Very high87.1Confident111 Ų11153 Ų5352%0.51927%0.268SS..EExtended strand (participates in β ladder)trans-81.5137.3177-65.2-179.8148.300110.8N1065E1016-N1065 PolarHBondContact OE2-ND2 2.94Å
1017V88.4Confident87.8Confident10 Ų1044.2 Ų44.26%0.06123%0.234CC..  trans-131.184175-174.30000107.1K995 I997 C1019 M1020 L1042 V1058K995-V1017 CarbonylContact O-C 3.52Å; K995-V1017 PolarHBondContact O-N 3.29Å; I997-V1017 HydrophobicContact CD1-CG2 3.91Å; I997-V1017 HydrophobicContact CG1-CG2 4Å; V1017-C1019 PolarHBondContact O-N 3.04Å; V1017-C1019 VanDerWaalsContact O-N 3.13Å; V1017-M1020 HydrophobicContact CB-CE 4.02Å; V1017-M1020 HydrophobicContact CB-SD 4.39Å; V1017-M1020 HydrophobicContact CG1-CB 4.46Å; V1017-M1020 HydrophobicContact CG1-SD 4.31Å; V1017-M1020 HydrophobicContact CG2-CE 4.37Å; V1017-M1020 PolarHBondContact O-N 3.03Å; V1017-M1020 VanDerWaalsContact O-N 3.08Å; V1017-L1042 HydrophobicContact CG1-CD1 3.88Å; V1017-V1058 HydrophobicContact CG2-CG1 4.32Å; V1017-V1058 HydrophobicContact CG2-CG2 4.33Å
1018P81.5Confident88.2Confident37 Ų3741.4 Ų41.424%0.2422%0.219CC..THydrogen-bonded Turntrans-62.7-23.9-170.5-29.440.6000114.5K995 W1068K995-P1018 WeakPolarHBondContact CD-O 3.42Å; K995-P1018 WeakPolarHBondContact CE-O 3.5Å; K995-P1018 PolarHBondContact NZ-O 2.9Å; P1018-W1068 HydrophobicContact CB-CH2 4.48Å; P1018-W1068 HydrophobicContact CB-CZ2 4.21Å; P1018-W1068 HydrophobicContact CG-CD2 4.48Å; P1018-W1068 HydrophobicContact CG-CH2 4.33Å; P1018-W1068 HydrophobicContact CG-CZ2 3.6Å
1019C79.5Confident88.4Confident73 Ų7340.9 Ų40.949%0.49322%0.215SC..THydrogen-bonded Turntrans-110.153.2172.2-58.50000110.7V1017 F1075V1017-C1019 PolarHBondContact O-N 3.04Å; V1017-C1019 VanDerWaalsContact O-N 3.13Å; C1019-F1075 HydrophobicContact CB-CE2 4.27Å; C1019-F1075 WeakPolarHBondContact O-CE2 3.44Å
1020M84.2Confident88.3Confident26 Ų2640.7 Ų40.713%0.12821%0.214CC..  trans-58.8129.1170.3-170.375.178.200109.7A992 D994 I997 V1017 L1024 L1042A992-M1020 HydrophobicContact CB-CE 4.02Å; D994-M1020 WeakPolarHBondContact O-CE 3.48Å; I997-M1020 HydrophobicContact CG1-CE 4.07Å; V1017-M1020 HydrophobicContact CB-CE 4.02Å; V1017-M1020 HydrophobicContact CB-SD 4.39Å; V1017-M1020 HydrophobicContact CG1-CB 4.46Å; V1017-M1020 HydrophobicContact CG1-SD 4.31Å; V1017-M1020 HydrophobicContact CG2-CE 4.37Å; V1017-M1020 PolarHBondContact O-N 3.03Å; V1017-M1020 VanDerWaalsContact O-N 3.08Å; M1020-L1024 HydrophobicContact CG-CD2 4.48Å; M1020-L1024 HydrophobicContact SD-CD1 4.48Å; M1020-L1024 HydrophobicContact SD-CD2 4.01Å; M1020-L1042 HydrophobicContact SD-CD1 4.13Å; M1020-L1042 HydrophobicContact SD-CD2 4.46Å
1021P83.6Confident88.3Confident6 Ų638.6 Ų38.64%0.03920%0.204CC..  trans-57.7144174.3-25.633.7000112.6L1024 L1042 F1075P1021-L1024 HydrophobicContact CB-CD1 3.93Å; P1021-L1024 HydrophobicContact CG-CD1 3.94Å; P1021-L1042 HydrophobicContact CG-CB 4.12Å; P1021-F1075 HydrophobicContact CB-CD1 4.43Å; P1021-F1075 HydrophobicContact CG-CD1 3.87Å; P1021-F1075 HydrophobicContact CG-CD2 4.42Å; P1021-F1075 HydrophobicContact CG-CE1 3.6Å; P1021-F1075 HydrophobicContact CG-CE2 4.18Å; P1021-F1075 HydrophobicContact CG-CG 4.28Å; P1021-F1075 HydrophobicContact CG-CZ 3.77Å
1022N78.8Confident88Confident136 Ų13636.1 Ų36.173%0.72719%0.193SC*.SBendtrans-146.7106.8176.8179.352.6000109.6
1023P77.1Confident87.7Confident49 Ų4934.7 Ų34.732%0.31819%0.186SC..SBendcis-65.5147.51.227.9-35.8000113.5I384 L1025I384-P1023 HydrophobicContact CG2-CB 3.9Å; P1023-L1025 HydrophobicContact CB-CD2 4.06Å; P1023-L1025 HydrophobicContact CG-CD2 3.84Å; P1023-L1025 HydrophobicContact CG-CG 4.43Å; P1023-L1025 PolarHBondContact O-N 2.86Å; P1023-L1025 VanDerWaalsContact O-N 3.16Å
1024L85.5Confident87.4Confident2 Ų240.2 Ų40.21%0.0122%0.217CC..  trans-85.780.9176.7-179.155.2000110.3I384 Y974 I975 A992 M1020 P1021 N1026 F1027 L1042I384-L1024 WeakPolarHBondContact CD1-O 3.33Å; I384-L1024 WeakPolarHBondContact CG1-O 3.33Å; Y974-L1024 HydrophobicContact CE2-CB 4.18Å; Y974-L1024 HydrophobicContact CE2-CD2 3.96Å; Y974-L1024 VanDerWaalsContact OH-CD2 3.3Å; Y974-L1024 WeakPolarHBondContact OH-CD2 3.26Å; I975-L1024 HydrophobicContact CG2-CD2 4.18Å; A992-L1024 HydrophobicContact CB-CD2 3.97Å; M1020-L1024 HydrophobicContact CG-CD2 4.48Å; M1020-L1024 HydrophobicContact SD-CD1 4.48Å; M1020-L1024 HydrophobicContact SD-CD2 4.01Å; P1021-L1024 HydrophobicContact CB-CD1 3.93Å; P1021-L1024 HydrophobicContact CG-CD1 3.94Å; L1024-N1026 VanDerWaalsContact C-N 3.28Å; L1024-N1026 VanDerWaalsContact CD1-O 3.24Å; L1024-N1026 WeakPolarHBondContact CD1-O 3.34Å; L1024-N1026 PolarHBondContact O-N 3.18Å; L1024-F1027 HydrophobicContact CD2-CD2 3.86Å; L1024-F1027 HydrophobicContact CD2-CE2 4.45Å; L1024-F1027 HydrophobicContact CD2-CG 4.45Å; L1024-L1042 HydrophobicContact CD1-CB 4Å; L1024-L1042 HydrophobicContact CD1-CD2 4.12Å
1025L81.5Confident87.1Confident19 Ų1938.2 Ų38.210%0.09921%0.212CC..  trans-61.5-30.1-169.9-60.6-177.1000114.8I384 P1023 Q1078I384-L1025 HydrophobicContact CD1-CD2 4.2Å; P1023-L1025 HydrophobicContact CB-CD2 4.06Å; P1023-L1025 HydrophobicContact CG-CD2 3.84Å; P1023-L1025 HydrophobicContact CG-CG 4.43Å; P1023-L1025 PolarHBondContact O-N 2.86Å; P1023-L1025 VanDerWaalsContact O-N 3.16Å; L1025-Q1078 HydrophobicContact CD1-CG 4.21Å
1026N90.2Very high86.8Confident0 Ų041.4 Ų41.40%023%0.231CC..  trans-134.5149.8177.1-50.8112.9000110.8L1024 C1041 L1042 G1043 V1081L1024-N1026 VanDerWaalsContact C-N 3.28Å; L1024-N1026 VanDerWaalsContact CD1-O 3.24Å; L1024-N1026 WeakPolarHBondContact CD1-O 3.34Å; L1024-N1026 PolarHBondContact O-N 3.18Å; N1026-C1041 CarbonylContact C-O 3.49Å; N1026-L1042 CarbonylContact O-C 3.42Å; N1026-L1042 WeakPolarHBondContact O-CA 3.21Å; N1026-G1043 WeakPolarHBondContact OD1-CA 3.36Å; N1026-V1081 PolarHBondContact ND2-O 2.85Å
1027F94.2Very high86.9Confident0 Ų036.9 Ų36.90%021%0.21CC..  trans-148.750.4175.2-165.5-114.2000110.1Q382 I975 T977 C990 A992 I997 L1024 V1040 C1041 L1042Q382-F1027 VanDerWaalsContact CD-N 3.26Å; Q382-F1027 HydrophobicContact CG-CB 4.14Å; Q382-F1027 PolarHBondContact NE2-O 3.02Å; I975-F1027 HydrophobicContact CD1-CB 3.9Å; I975-F1027 HydrophobicContact CG1-CB 4.37Å; I975-F1027 HydrophobicContact CG1-CD1 4.31Å; I975-F1027 HydrophobicContact CG2-CD1 4.02Å; I975-F1027 HydrophobicContact CG2-CE1 4.27Å; I975-F1027 HydrophobicContact CG2-CG 4.18Å; T977-F1027 HydrophobicContact CG2-CD1 3.54Å; T977-F1027 HydrophobicContact CG2-CE1 3.73Å; T977-F1027 WeakPolarHBondContact CG2-O 3.47Å; C990-F1027 HydrophobicContact CB-CE1 4.3Å; C990-F1027 HydrophobicContact CB-CZ 4.41Å; A992-F1027 HydrophobicContact CB-CE2 3.88Å; A992-F1027 HydrophobicContact CB-CZ 4.01Å; I997-F1027 HydrophobicContact CD1-CE2 4.1Å; I997-F1027 HydrophobicContact CG1-CE2 4.12Å; I997-F1027 HydrophobicContact CG1-CZ 4.45Å; I997-F1027 HydrophobicContact CG2-CZ 4.15Å; L1024-F1027 HydrophobicContact CD2-CD2 3.86Å; L1024-F1027 HydrophobicContact CD2-CE2 4.45Å; L1024-F1027 HydrophobicContact CD2-CG 4.45Å; F1027-V1040 HydrophobicContact CD2-CG1 3.71Å; F1027-V1040 HydrophobicContact CE2-CG1 3.74Å; F1027-V1040 HydrophobicContact CG-CG1 4.29Å; F1027-V1040 HydrophobicContact CZ-CG1 4.34Å; F1027-C1041 CarbonylContact C-O 3.44Å; F1027-C1041 VanDerWaalsContact CA-O 3.3Å; F1027-C1041 WeakPolarHBondContact CA-O 3.39Å; F1027-C1041 PolarHBondContact N-O 2.81Å; F1027-L1042 HydrophobicContact CD2-CD2 3.61Å; F1027-L1042 HydrophobicContact CE2-CD2 3.91Å
1028D94.5Very high87.2Confident12 Ų1236.4 Ų36.46%0.06421%0.208CC..EExtended strand (participates in β ladder)trans-86.3137.8-169.8-66.1-57.2000112Q382 V1040 C1041 V1084Q382-D1028 VanDerWaalsContact NE2-CG 3.32Å; Q382-D1028 PolarHBondContact NE2-OD1 3.47Å; D1028-V1040 CarbonylContact O-C 3.54Å; D1028-V1040 WeakPolarHBondContact O-CA 3.38Å; D1028-C1041 HydrophobicContact CB-CB 4.29Å; D1028-C1041 PolarHBondContact N-O 3.23Å; D1028-C1041 PolarHBondContact O-N 3.46Å; D1028-V1084 HydrophobicContact CB-CB 4.24Å; D1028-V1084 VanDerWaalsContact CB-O 3.31Å; D1028-V1084 WeakPolarHBondContact CB-O 3.48Å; D1028-V1084 VanDerWaalsContact CG-O 3.22Å; D1028-V1084 PolarHBondContact OD2-N 3.18Å
1029L94.8Very high87.7Confident20 Ų2035 Ų3511%0.10520%0.199CC..EExtended strand (participates in β ladder)trans-100126.1-179.2-63.1-173000112.2T977 V979 C990 P1038 V1040T977-L1029 HydrophobicContact CG2-CD1 3.72Å; T977-L1029 HydrophobicContact CG2-CD2 4.18Å; T977-L1029 HydrophobicContact CG2-CG 3.61Å; V979-L1029 HydrophobicContact CB-CB 3.79Å; V979-L1029 HydrophobicContact CB-CD1 3.79Å; V979-L1029 HydrophobicContact CB-CG 4.44Å; V979-L1029 HydrophobicContact CG1-CB 3.88Å; V979-L1029 HydrophobicContact CG1-CD1 3.5Å; V979-L1029 VanDerWaalsContact CG1-CD1 3.5Å; V979-L1029 HydrophobicContact CG1-CG 4.34Å; V979-L1029 HydrophobicContact CG2-CB 4.18Å; C990-L1029 HydrophobicContact CB-CD1 3.99Å; C990-L1029 HydrophobicContact CB-CD2 3.97Å; L1029-P1038 HydrophobicContact CB-CB 4.26Å; L1029-P1038 HydrophobicContact CD1-CG 4.29Å; L1029-P1038 HydrophobicContact CD2-CB 4.39Å; L1029-P1038 HydrophobicContact CD2-CG 4.3Å; L1029-V1040 HydrophobicContact CD2-CB 4.21Å; L1029-V1040 HydrophobicContact CD2-CG1 4.05Å; L1029-V1040 HydrophobicContact CD2-CG2 3.67Å
1030I94Very high88.4Confident2 Ų231.6 Ų31.61%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-114.4130.7-176.1-60.3170.8000109.3P1038 T1039 C1041 L1057 L1092 M1105I1030-P1038 WeakPolarHBondContact O-CA 3.28Å; I1030-P1038 WeakPolarHBondContact O-CB 3.33Å; I1030-T1039 PolarHBondContact N-O 2.85Å; I1030-T1039 PolarHBondContact O-N 3.47Å; I1030-C1041 HydrophobicContact CD1-CB 4.22Å; I1030-L1057 HydrophobicContact CD1-CD2 3.92Å; I1030-L1092 HydrophobicContact CD1-CD1 3.97Å; I1030-L1092 HydrophobicContact CD1-CD2 3.99Å; I1030-L1092 HydrophobicContact CG1-CD2 4.19Å; I1030-L1092 HydrophobicContact CG2-CD2 4.15Å; I1030-M1105 HydrophobicContact CG2-CE 3.51Å
1031I92.9Very high88.9Confident5 Ų530.3 Ų30.33%0.02617%0.169CC..  trans-100113.7179.4-62-63.9000110.7V979 N981 F983 P1038 Q1086V979-I1031 HydrophobicContact CG1-CD1 3.85Å; V979-I1031 HydrophobicContact CG2-CD1 3.86Å; V979-I1031 HydrophobicContact CG2-CG1 3.64Å; N981-I1031 HydrophobicContact CB-CD1 3.93Å; N981-I1031 HydrophobicContact CB-CG2 4.29Å; F983-I1031 HydrophobicContact CD2-CG2 3.74Å; F983-I1031 HydrophobicContact CE2-CG2 3.8Å; I1031-P1038 HydrophobicContact CD1-CB 4.07Å; I1031-Q1086 PolarHBondContact O-NE2 2.64Å
1032N88.1Confident89.3Confident35 Ų3530.2 Ų30.219%0.18717%0.168CC..  trans-94.1124.4167.9-65-50.9000109.7N1034 Q1035 T1039 M1105N1032-N1034 PolarHBondContact O-N 2.9Å; N1032-N1034 VanDerWaalsContact O-N 3.14Å; N1032-Q1035 HydrophobicContact CB-CB 4.07Å; N1032-Q1035 HydrophobicContact CB-CG 4.04Å; N1032-Q1035 PolarHBondContact ND2-OE1 3.37Å; N1032-Q1035 PolarHBondContact O-N 3.41Å; N1032-T1039 PolarHBondContact ND2-OG1 2.8Å; N1032-M1105 VanDerWaalsContact OD1-CE 3.29Å; N1032-M1105 WeakPolarHBondContact OD1-CE 3.39Å
1033P86Confident89.8Confident42 Ų4223.8 Ų23.827%0.27313%0.134SC..THydrogen-bonded Turntrans-54.2-37.3-178.8-25.131.1000113.8F983 K984 Q1035 T1089F983-P1033 HydrophobicContact CD1-CB 4.43Å; F983-P1033 HydrophobicContact CD2-CB 3.99Å; F983-P1033 HydrophobicContact CD2-CG 3.96Å; F983-P1033 HydrophobicContact CE1-CG 4.27Å; F983-P1033 HydrophobicContact CE2-CB 4.25Å; F983-P1033 HydrophobicContact CE2-CG 3.69Å; F983-P1033 HydrophobicContact CG-CB 4.11Å; F983-P1033 HydrophobicContact CG-CG 4.38Å; F983-P1033 HydrophobicContact CZ-CG 3.88Å; K984-P1033 PolarHBondContact NZ-O 2.91Å; P1033-Q1035 VanDerWaalsContact C-N 3.26Å; P1033-Q1035 PolarHBondContact O-N 3.49Å; P1033-T1089 HydrophobicContact CG-CG2 3.72Å
1034N86Confident90.5Very high161 Ų16121.4 Ų21.486%0.86112%0.119SC*.THydrogen-bonded Turntrans-74.4-13-176.6-61.6-11.8000113.4N1032N1032-N1034 PolarHBondContact O-N 2.9Å; N1032-N1034 VanDerWaalsContact O-N 3.14Å
1035Q85.7Confident90.8Very high42 Ų4221.6 Ų21.620%0.19612%0.12CC..  trans-107.2159.3-174.9-70.1-178.7-24.300111.9K984 N1032 P1033 T1039 N1059 N1061K984-Q1035 PolarHBondContact NZ-O 3.1Å; N1032-Q1035 HydrophobicContact CB-CB 4.07Å; N1032-Q1035 HydrophobicContact CB-CG 4.04Å; N1032-Q1035 PolarHBondContact ND2-OE1 3.37Å; N1032-Q1035 PolarHBondContact O-N 3.41Å; P1033-Q1035 VanDerWaalsContact C-N 3.26Å; P1033-Q1035 PolarHBondContact O-N 3.49Å; Q1035-T1039 PolarHBondContact OE1-OG1 3.49Å; Q1035-N1059 PolarHBondContact NE2-ND2 2.9Å; Q1035-N1059 VanDerWaalsContact NE2-ND2 3.11Å; Q1035-N1059 PolarHBondContact NE2-OD1 3.29Å; Q1035-N1061 PolarHBondContact OE1-ND2 3.43Å
1036T86.8Confident91.2Very high81 Ų8123.5 Ų23.550%0.49714%0.135SC..SBendtrans-88.6-53.1178.440.10000111.2Y988 N1061Y988-T1036 WeakPolarHBondContact CE2-O 3.5Å; Y988-T1036 VanDerWaalsContact CZ-O 3.28Å; Y988-T1036 PolarHBondContact OH-O 2.65Å; T1036-N1061 PolarHBondContact N-OD1 2.92Å; T1036-N1061 PolarHBondContact OG1-OD1 3.02Å; T1036-N1061 VanDerWaalsContact OG1-OD1 3.07Å
1037L91.7Very high91.1Very high16 Ų1625.8 Ų25.88%0.08415%0.149CC..SBendtrans-89.5156.8176.9-57.1179.6000110.9Y988 V999 K1013 L1060 N1061Y988-L1037 HydrophobicContact CD1-CD2 4.12Å; Y988-L1037 HydrophobicContact CE1-CD2 3.69Å; V999-L1037 HydrophobicContact CG1-CD1 4.42Å; V999-L1037 HydrophobicContact CG1-CD2 4.14Å; K1013-L1037 HydrophobicContact CD-CD1 4.47Å; L1037-L1060 HydrophobicContact CB-CB 4.02Å; L1037-L1060 HydrophobicContact CD1-CB 4.14Å; L1037-N1061 PolarHBondContact N-OD1 3.17Å; L1037-N1061 PolarHBondContact O-ND2 3.45Å
1038P93.8Very high90.8Very high0 Ų032.7 Ų32.70%019%0.194CC..PPolyproline II helixtrans-67.4164.6172.525.7-30.5000112.7V979 L1029 I1030 I1031 L1060V979-P1038 HydrophobicContact CG1-CB 4.11Å; V979-P1038 HydrophobicContact CG1-CG 4.01Å; L1029-P1038 HydrophobicContact CB-CB 4.26Å; L1029-P1038 HydrophobicContact CD1-CG 4.29Å; L1029-P1038 HydrophobicContact CD2-CB 4.39Å; L1029-P1038 HydrophobicContact CD2-CG 4.3Å; I1030-P1038 WeakPolarHBondContact O-CA 3.28Å; I1030-P1038 WeakPolarHBondContact O-CB 3.33Å; I1031-P1038 HydrophobicContact CD1-CB 4.07Å; P1038-L1060 HydrophobicContact CG-CD1 4.06Å; P1038-L1060 WeakPolarHBondContact O-CB 3.31Å; P1038-L1060 WeakPolarHBondContact O-CD1 3.41Å; P1038-L1060 WeakPolarHBondContact O-CG 3.43Å
1039T93.5Very high90.6Very high9 Ų935.7 Ų35.76%0.05521%0.21CC..EExtended strand (participates in β ladder)trans-97.2142.6160.6-66.40000108.5I1030 N1032 Q1035 L1057 V1058I1030-T1039 PolarHBondContact N-O 2.85Å; I1030-T1039 PolarHBondContact O-N 3.47Å; N1032-T1039 PolarHBondContact ND2-OG1 2.8Å; Q1035-T1039 PolarHBondContact OE1-OG1 3.49Å; T1039-L1057 HydrophobicContact CG2-CB 3.81Å; T1039-L1057 HydrophobicContact CG2-CD1 4.42Å; T1039-L1057 HydrophobicContact CG2-CD2 4.23Å; T1039-L1057 HydrophobicContact CG2-CG 4.37Å; T1039-V1058 WeakPolarHBondContact CA-O 3.41Å
1040V93.9Very high90.2Very high0 Ų040 Ų400%024%0.239CC..EExtended strand (participates in β ladder)trans-104.4129.6178.7-164.70000110.1I997 F1027 D1028 L1029 L1042 L1057 V1058 L1060I997-V1040 HydrophobicContact CD1-CB 4.24Å; I997-V1040 HydrophobicContact CD1-CG1 4.39Å; I997-V1040 HydrophobicContact CD1-CG2 4.04Å; I997-V1040 HydrophobicContact CG2-CG2 4.48Å; F1027-V1040 HydrophobicContact CD2-CG1 3.71Å; F1027-V1040 HydrophobicContact CE2-CG1 3.74Å; F1027-V1040 HydrophobicContact CG-CG1 4.29Å; F1027-V1040 HydrophobicContact CZ-CG1 4.34Å; D1028-V1040 CarbonylContact O-C 3.54Å; D1028-V1040 WeakPolarHBondContact O-CA 3.38Å; L1029-V1040 HydrophobicContact CD2-CB 4.21Å; L1029-V1040 HydrophobicContact CD2-CG1 4.05Å; L1029-V1040 HydrophobicContact CD2-CG2 3.67Å; V1040-L1042 HydrophobicContact CB-CD2 4.4Å; V1040-L1042 HydrophobicContact CG1-CD2 3.71Å; V1040-L1057 CarbonylContact O-C 3.52Å; V1040-L1057 WeakPolarHBondContact O-CA 3.28Å; V1040-V1058 PolarHBondContact N-O 3.08Å; V1040-V1058 PolarHBondContact O-N 2.98Å; V1040-L1060 HydrophobicContact CG2-CD1 3.74Å; V1040-L1060 HydrophobicContact CG2-CD2 3.98Å; V1040-L1060 HydrophobicContact CG2-CG 3.92Å
1041C93.8Very high90.1Very high0 Ų043.6 Ų43.60%026%0.258CS..EExtended strand (participates in β ladder)trans-92118.5167.5-168.70000109.4N1026 F1027 D1028 I1030 G1043 L1057N1026-C1041 CarbonylContact C-O 3.49Å; F1027-C1041 CarbonylContact C-O 3.44Å; F1027-C1041 VanDerWaalsContact CA-O 3.3Å; F1027-C1041 WeakPolarHBondContact CA-O 3.39Å; F1027-C1041 PolarHBondContact N-O 2.81Å; D1028-C1041 HydrophobicContact CB-CB 4.29Å; D1028-C1041 PolarHBondContact N-O 3.23Å; D1028-C1041 PolarHBondContact O-N 3.46Å; I1030-C1041 HydrophobicContact CD1-CB 4.22Å; C1041-G1043 PolarHBondContact SG-O 3.4Å; C1041-G1043 VanDerWaalsContact SG-O 3.39Å; C1041-L1057 HydrophobicContact CB-CD2 3.77Å
1042L92.5Very high90.1Very high4 Ų444.6 Ų44.62%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-95.5-4.4179.4-56.1-175.9000113.4I997 V1017 M1020 P1021 L1024 N1026 F1027 V1040 H1056 V1058 Q1078I997-L1042 HydrophobicContact CD1-CD2 4.18Å; V1017-L1042 HydrophobicContact CG1-CD1 3.88Å; M1020-L1042 HydrophobicContact SD-CD1 4.13Å; M1020-L1042 HydrophobicContact SD-CD2 4.46Å; P1021-L1042 HydrophobicContact CG-CB 4.12Å; L1024-L1042 HydrophobicContact CD1-CB 4Å; L1024-L1042 HydrophobicContact CD1-CD2 4.12Å; N1026-L1042 CarbonylContact O-C 3.42Å; N1026-L1042 WeakPolarHBondContact O-CA 3.21Å; F1027-L1042 HydrophobicContact CD2-CD2 3.61Å; F1027-L1042 HydrophobicContact CE2-CD2 3.91Å; V1040-L1042 HydrophobicContact CB-CD2 4.4Å; V1040-L1042 HydrophobicContact CG1-CD2 3.71Å; L1042-H1056 PolarHBondContact N-O 2.79Å; L1042-V1058 HydrophobicContact CD1-CG2 3.6Å; L1042-V1058 HydrophobicContact CG-CG2 4.1Å; L1042-Q1078 PolarHBondContact O-NE2 3.1Å
1043G90.2Very high90.3Very high0 Ų044.4 Ų44.40%026%0.261CS..EExtended strand (participates in β ladder)trans159.5175.9-177.300000113.1N1026 C1041 H1056N1026-G1043 WeakPolarHBondContact OD1-CA 3.36Å; C1041-G1043 PolarHBondContact SG-O 3.4Å; C1041-G1043 VanDerWaalsContact SG-O 3.39Å; G1043-H1056 WeakPolarHBondContact O-CB 3.5Å; G1043-H1056 PolarHBondContact O-CD2 3.03Å; G1043-H1056 PolarHBondContact O-N 3.15Å
1044V91.7Very high90.6Very high0 Ų045.6 Ų45.60%026%0.262CS..EExtended strand (participates in β ladder)trans-129.9142.3174.2-173.90000109.2Y1053 K1054 L1055 L1079 V1081 V1084 I1094V1044-Y1053 HydrophobicContact CG1-CD1 4.03Å; V1044-Y1053 HydrophobicContact CG1-CG 4.18Å; V1044-K1054 CarbonylContact C-O 3.6Å; V1044-K1054 WeakPolarHBondContact CA-O 3.44Å; V1044-L1055 HydrophobicContact CG1-CD2 4.27Å; V1044-L1055 HydrophobicContact CG2-CD2 3.86Å; V1044-L1079 HydrophobicContact CG1-CD1 4.38Å; V1044-L1079 PolarHBondContact O-N 3.12Å; V1044-V1081 HydrophobicContact CB-CG2 3.87Å; V1044-V1081 HydrophobicContact CG2-CB 4.45Å; V1044-V1081 HydrophobicContact CG2-CG1 4.34Å; V1044-V1081 HydrophobicContact CG2-CG2 3.95Å; V1044-V1084 HydrophobicContact CG2-CG2 3.83Å; V1044-I1094 HydrophobicContact CG1-CD1 4.17Å; V1044-I1094 HydrophobicContact CG2-CD1 4.47Å; V1044-I1094 HydrophobicContact CG2-CG2 4.21Å
1045S90.7Very high90.8Very high5 Ų539 Ų394%0.03523%0.226CC..EExtended strand (participates in β ladder)trans-121.6156.1168.2-74.10000111.1K1054 H1056 D1077S1045-K1054 PolarHBondContact N-O 3.04Å; S1045-K1054 PolarHBondContact O-N 3.11Å; S1045-H1056 PolarHBondContact OG-NE2 3.17Å; S1045-D1077 WeakPolarHBondContact CA-O 3.37Å; S1045-D1077 WeakPolarHBondContact CB-O 3.22Å; S1045-D1077 PolarHBondContact OG-O 3.13Å
1046S89.6Confident91Very high60 Ų6037.6 Ų37.642%0.4222%0.22SC..  trans-66163.8166.241.50000110.9
1047T88.9Confident91.2Very high48 Ų4836.9 Ų36.929%0.29421%0.213SC..  trans-129.5170.716480.60000108.9D1049 V1052 K1054T1047-D1049 PolarHBondContact O-N 3.13Å; T1047-D1049 PolarHBondContact OG1-N 3.28Å; T1047-D1049 PolarHBondContact OG1-O 2.89Å; T1047-D1049 VanDerWaalsContact OG1-O 3.07Å; T1047-V1052 WeakPolarHBondContact CB-O 3.41Å; T1047-V1052 VanDerWaalsContact CG2-O 3.27Å; T1047-V1052 WeakPolarHBondContact CG2-O 3.49Å; T1047-V1052 PolarHBondContact OG1-O 2.96Å; T1047-K1054 HydrophobicContact CG2-CB 3.87Å
1048P88.1Confident91.1Very high145 Ų14537 Ų3794%0.94221%0.214SC*.SBendtrans-61.7-16.6172.7-24.435.9000114.3
1049D90.4Very high91Very high75 Ų7538.1 Ų38.140%0.40122%0.22SC..SBendtrans-94.4114.2171.3-177.3-15.6000109.4T1047 L1051 V1052T1047-D1049 PolarHBondContact O-N 3.13Å; T1047-D1049 PolarHBondContact OG1-N 3.28Å; T1047-D1049 PolarHBondContact OG1-O 2.89Å; T1047-D1049 VanDerWaalsContact OG1-O 3.07Å; D1049-L1051 PolarHBondContact O-N 3.19Å; D1049-L1051 VanDerWaalsContact O-N 3.14Å; D1049-L1051 WeakPolarHBondContact OD1-CB 3.13Å; D1049-L1051 PolarHBondContact OD1-N 3.15Å; D1049-V1052 HydrophobicContact CB-CB 4.2Å; D1049-V1052 HydrophobicContact CB-CG2 4.12Å; D1049-V1052 PolarHBondContact O-N 2.85Å; D1049-V1052 VanDerWaalsContact O-O 3.08Å; D1049-V1052 WeakPolarHBondContact OD2-CG2 3.09Å
1050P86.8Confident90.9Very high110 Ų11037.7 Ų37.771%0.71422%0.217SC*.THydrogen-bonded Turntrans-68.2-10.3-178.730.1-36.2000113.7
1051L90.5Very high90.7Very high77 Ų7739.6 Ų39.640%0.40323%0.228SC..THydrogen-bonded Turntrans-94.15.3172.6-58.3178.4000112.6D1049 R1108 V1109 I1117D1049-L1051 PolarHBondContact O-N 3.19Å; D1049-L1051 VanDerWaalsContact O-N 3.14Å; D1049-L1051 WeakPolarHBondContact OD1-CB 3.13Å; D1049-L1051 PolarHBondContact OD1-N 3.15Å; L1051-R1108 CarbonylContact O-C 3.59Å; L1051-R1108 WeakPolarHBondContact O-CA 3.33Å; L1051-V1109 WeakPolarHBondContact O-CG2 3.42Å; L1051-V1109 PolarHBondContact O-N 2.56Å; L1051-I1117 HydrophobicContact CD2-CD1 3.9Å; L1051-I1117 HydrophobicContact CD2-CG1 4.43Å
1052V92.8Very high90.2Very high26 Ų2643.5 Ų43.516%0.15825%0.246CC..BIsolated β-bridgetrans-134.9120.4179.7-171.60000111.8T1047 D1049 R1108T1047-V1052 WeakPolarHBondContact CB-O 3.41Å; T1047-V1052 VanDerWaalsContact CG2-O 3.27Å; T1047-V1052 WeakPolarHBondContact CG2-O 3.49Å; T1047-V1052 PolarHBondContact OG1-O 2.96Å; D1049-V1052 HydrophobicContact CB-CB 4.2Å; D1049-V1052 HydrophobicContact CB-CG2 4.12Å; D1049-V1052 PolarHBondContact O-N 2.85Å; D1049-V1052 VanDerWaalsContact O-O 3.08Å; D1049-V1052 WeakPolarHBondContact OD2-CG2 3.09Å; V1052-R1108 HydrophobicContact CG1-CG 4.26Å; V1052-R1108 HydrophobicContact CG2-CB 4.37Å; V1052-R1108 HydrophobicContact CG2-CG 3.86Å
1053Y92.6Very high89Confident31 Ų3150.1 Ų50.112%0.12228%0.281CS..  trans-96.6139.6170.6-64.9-79.9000110.9V1044 L1055 L1079 I1094 F1096 T1101 V1103 G1107 V1109V1044-Y1053 HydrophobicContact CG1-CD1 4.03Å; V1044-Y1053 HydrophobicContact CG1-CG 4.18Å; Y1053-L1055 PolarHBondContact O-N 2.85Å; Y1053-L1079 HydrophobicContact CD1-CD1 3.73Å; Y1053-L1079 HydrophobicContact CE1-CD1 3.78Å; Y1053-I1094 HydrophobicContact CD2-CD1 3.85Å; Y1053-I1094 HydrophobicContact CG-CD1 3.92Å; Y1053-F1096 HydrophobicContact CD1-CZ 4.18Å; Y1053-F1096 HydrophobicContact CE1-CE1 4.33Å; Y1053-F1096 HydrophobicContact CE1-CE2 4.31Å; Y1053-F1096 AromaticContact CE1-CZ 3.54Å; Y1053-F1096 HydrophobicContact CE1-CZ 3.54Å; Y1053-F1096 AromaticContact CZ-CZ 3.75Å; Y1053-T1101 HydrophobicContact CE2-CG2 4.21Å; Y1053-V1103 HydrophobicContact CD2-CG1 3.9Å; Y1053-V1103 HydrophobicContact CE2-CG1 4.43Å; Y1053-G1107 PolarHBondContact N-O 3.06Å; Y1053-G1107 WeakPolarHBondContact O-CA 3.38Å; Y1053-V1109 HydrophobicContact CD2-CG2 3.99Å; Y1053-V1109 HydrophobicContact CE2-CG2 3.66Å
1054K91.7Very high87.2Confident67 Ų6752.9 Ų52.929%0.29130%0.301SS..EExtended strand (participates in β ladder)trans-84.4106.9171.2177.8-180174.1-175.80109.1V1044 S1045 T1047 C1073V1044-K1054 CarbonylContact C-O 3.6Å; V1044-K1054 WeakPolarHBondContact CA-O 3.44Å; S1045-K1054 PolarHBondContact N-O 3.04Å; S1045-K1054 PolarHBondContact O-N 3.11Å; T1047-K1054 HydrophobicContact CG2-CB 3.87Å; K1054-C1073 PolarHBondContact NZ-SG 3.36Å
1055L91.2Very high85.3Confident23 Ų2356.7 Ų56.712%0.1232%0.321CS..EExtended strand (participates in β ladder)trans-81124.7172.7-57.5177.2000109.9V1044 Y1053 L1057 L1092 I1094V1044-L1055 HydrophobicContact CG1-CD2 4.27Å; V1044-L1055 HydrophobicContact CG2-CD2 3.86Å; Y1053-L1055 PolarHBondContact O-N 2.85Å; L1055-L1057 VanDerWaalsContact C-N 3.34Å; L1055-L1057 HydrophobicContact CB-CD1 4.15Å; L1055-L1057 HydrophobicContact CB-CD2 3.97Å; L1055-L1057 HydrophobicContact CB-CG 3.73Å; L1055-L1057 HydrophobicContact CD1-CD1 4.37Å; L1055-L1057 PolarHBondContact O-N 2.78Å; L1055-L1057 VanDerWaalsContact O-N 3.07Å; L1055-L1092 HydrophobicContact CD1-CD1 3.64Å; L1055-I1094 HydrophobicContact CD2-CD1 3.89Å
1056H89.7Confident83.2Confident12 Ų1259.4 Ų59.46%0.05634%0.34CS..EExtended strand (participates in β ladder)trans-85.377.3177.5-64.1-80.1000110.2L1042 G1043 S1045 C1073 F1075L1042-H1056 PolarHBondContact N-O 2.79Å; G1043-H1056 WeakPolarHBondContact O-CB 3.5Å; G1043-H1056 PolarHBondContact O-CD2 3.03Å; G1043-H1056 PolarHBondContact O-N 3.15Å; S1045-H1056 PolarHBondContact OG-NE2 3.17Å; H1056-C1073 PolarHBondContact ND1-SG 2.88Å; H1056-C1073 VanDerWaalsContact ND1-SG 3.39Å; H1056-F1075 HydrophobicContact CB-CE1 4.17Å; H1056-F1075 AromaticContact CD2-CE1 3.97Å; H1056-F1075 AromaticContact CE1-CD1 3.98Å; H1056-F1075 AromaticContact CE1-CE1 3.71Å; H1056-F1075 AromaticContact CG-CE1 3.67Å; H1056-F1075 AromaticContact ND1-CE1 3.53Å
1057L90.8Very high81.3Confident67 Ų6758 Ų5835%0.35133%0.33SS..EExtended strand (participates in β ladder)trans-92.7129-172.8-60.1-176.6000113.1I1030 T1039 V1040 C1041 L1055I1030-L1057 HydrophobicContact CD1-CD2 3.92Å; T1039-L1057 HydrophobicContact CG2-CB 3.81Å; T1039-L1057 HydrophobicContact CG2-CD1 4.42Å; T1039-L1057 HydrophobicContact CG2-CD2 4.23Å; T1039-L1057 HydrophobicContact CG2-CG 4.37Å; V1040-L1057 CarbonylContact O-C 3.52Å; V1040-L1057 WeakPolarHBondContact O-CA 3.28Å; C1041-L1057 HydrophobicContact CB-CD2 3.77Å; L1055-L1057 VanDerWaalsContact C-N 3.34Å; L1055-L1057 HydrophobicContact CB-CD1 4.15Å; L1055-L1057 HydrophobicContact CB-CD2 3.97Å; L1055-L1057 HydrophobicContact CB-CG 3.73Å; L1055-L1057 HydrophobicContact CD1-CD1 4.37Å; L1055-L1057 PolarHBondContact O-N 2.78Å; L1055-L1057 VanDerWaalsContact O-N 3.07Å
1058V90.5Very high79.4Confident18 Ų1859.8 Ų59.811%0.10933%0.331CS..EExtended strand (participates in β ladder)trans-108.3111171.2179.70000109.9I997 V1015 V1017 T1039 V1040 L1042 L1060I997-V1058 HydrophobicContact CD1-CB 4.41Å; I997-V1058 HydrophobicContact CD1-CG1 4.25Å; V1015-V1058 HydrophobicContact CG1-CG1 4.22Å; V1017-V1058 HydrophobicContact CG2-CG1 4.32Å; V1017-V1058 HydrophobicContact CG2-CG2 4.33Å; T1039-V1058 WeakPolarHBondContact CA-O 3.41Å; V1040-V1058 PolarHBondContact N-O 3.08Å; V1040-V1058 PolarHBondContact O-N 2.98Å; L1042-V1058 HydrophobicContact CD1-CG2 3.6Å; L1042-V1058 HydrophobicContact CG-CG2 4.1Å; V1058-L1060 HydrophobicContact CG1-CD2 4.33Å; V1058-L1060 PolarHBondContact O-N 2.86Å
1059N90.5Very high77.4Confident24 Ų2460.4 Ų60.413%0.12832%0.316CS..EExtended strand (participates in β ladder)trans-82.5106.3177.4-178.15.9000111.3Q1035 N1061 E1062Q1035-N1059 PolarHBondContact NE2-ND2 2.9Å; Q1035-N1059 VanDerWaalsContact NE2-ND2 3.11Å; Q1035-N1059 PolarHBondContact NE2-OD1 3.29Å; N1059-N1061 PolarHBondContact O-N 2.9Å; N1059-N1061 VanDerWaalsContact OD1-CB 3.29Å; N1059-N1061 WeakPolarHBondContact OD1-CB 3.49Å; N1059-N1061 PolarHBondContact OD1-N 3.07Å; N1059-N1061 VanDerWaalsContact OD1-N 3.1Å; N1059-N1061 PolarHBondContact OD1-ND2 2.82Å; N1059-E1062 WeakPolarHBondContact CB-OE1 2.98Å; N1059-E1062 PolarHBondContact ND2-OE1 2.78Å; N1059-E1062 PolarHBondContact O-N 3.23Å
1060L92Very high75Confident0 Ų062 Ų620%033%0.329CS..THydrogen-bonded Turntrans-68.7-15.8-177.2-56.2174.5000113.5I997 V999 K1013 V1015 L1037 P1038 V1040 V1058 E1062I997-L1060 HydrophobicContact CB-CD2 4.4Å; I997-L1060 HydrophobicContact CD1-CD2 4.44Å; I997-L1060 HydrophobicContact CG2-CD2 4.01Å; V999-L1060 HydrophobicContact CG1-CD1 4.21Å; V999-L1060 HydrophobicContact CG2-CB 4.47Å; V999-L1060 HydrophobicContact CG2-CD1 3.72Å; V999-L1060 HydrophobicContact CG2-CD2 4Å; V999-L1060 HydrophobicContact CG2-CG 4.28Å; K1013-L1060 PolarHBondContact NZ-O 3.36Å; V1015-L1060 HydrophobicContact CB-CD2 4.11Å; V1015-L1060 HydrophobicContact CG1-CD2 4.48Å; V1015-L1060 HydrophobicContact CG2-CD2 3.77Å; L1037-L1060 HydrophobicContact CB-CB 4.02Å; L1037-L1060 HydrophobicContact CD1-CB 4.14Å; P1038-L1060 HydrophobicContact CG-CD1 4.06Å; P1038-L1060 WeakPolarHBondContact O-CB 3.31Å; P1038-L1060 WeakPolarHBondContact O-CD1 3.41Å; P1038-L1060 WeakPolarHBondContact O-CG 3.43Å; V1040-L1060 HydrophobicContact CG2-CD1 3.74Å; V1040-L1060 HydrophobicContact CG2-CD2 3.98Å; V1040-L1060 HydrophobicContact CG2-CG 3.92Å; V1058-L1060 HydrophobicContact CG1-CD2 4.33Å; V1058-L1060 PolarHBondContact O-N 2.86Å; L1060-E1062 VanDerWaalsContact C-N 3.34Å
1061N90Very high72.8Confident40 Ų4062.7 Ų62.721%0.21433%0.326CS..THydrogen-bonded Turntrans-75.8-20.9-179.7-56.7-94.3000112.8Q1035 T1036 L1037 N1059Q1035-N1061 PolarHBondContact OE1-ND2 3.43Å; T1036-N1061 PolarHBondContact N-OD1 2.92Å; T1036-N1061 PolarHBondContact OG1-OD1 3.02Å; T1036-N1061 VanDerWaalsContact OG1-OD1 3.07Å; L1037-N1061 PolarHBondContact N-OD1 3.17Å; L1037-N1061 PolarHBondContact O-ND2 3.45Å; N1059-N1061 PolarHBondContact O-N 2.9Å; N1059-N1061 VanDerWaalsContact OD1-CB 3.29Å; N1059-N1061 WeakPolarHBondContact OD1-CB 3.49Å; N1059-N1061 PolarHBondContact OD1-N 3.07Å; N1059-N1061 VanDerWaalsContact OD1-N 3.1Å; N1059-N1061 PolarHBondContact OD1-ND2 2.82Å
1062E83.8Confident70.6Confident81 Ų8164.6 Ų64.638%0.37935%0.346SS..  trans-79.2135.6179.5-75.5166.6-135.400111.1K1013 N1059 L1060 S1067K1013-E1062 PolarHBondContact NZ-O 2.9Å; N1059-E1062 WeakPolarHBondContact CB-OE1 2.98Å; N1059-E1062 PolarHBondContact ND2-OE1 2.78Å; N1059-E1062 PolarHBondContact O-N 3.23Å; L1060-E1062 VanDerWaalsContact C-N 3.34Å; E1062-S1067 VanDerWaalsContact OE2-CB 3.29Å; E1062-S1067 WeakPolarHBondContact OE2-CB 3.49Å
1063N65.7Low68.6Low143 Ų14365.4 Ų65.477%0.76535%0.353SS*.  trans-98-6.4-173.9-75.8-17000114.2K1013K1013-N1063 PolarHBondContact NZ-OD1 3.07Å
1064S54.4Low66.8Low59 Ų5971.8 Ų71.841%0.41338%0.376SS..SBendtrans-96140.9174.943.50000110.3S1066S1064-S1066 VanDerWaalsContact CB-OG 3.31Å; S1064-S1066 WeakPolarHBondContact CB-OG 3.15Å; S1064-S1066 PolarHBondContact O-N 2.78Å; S1064-S1066 PolarHBondContact OG-OG 2.93Å
1065N51.7Low65.4Low80 Ų8071.1 Ų71.143%0.42837%0.373SS..THydrogen-bonded Turntrans-64.413.8164.6-79.69.9000112.6E1016 W1068 Y1069E1016-N1065 PolarHBondContact OE2-ND2 2.94Å; N1065-W1068 VanDerWaalsContact O-CD1 3.26Å; N1065-W1068 PolarHBondContact O-NE1 2.73Å; N1065-Y1069 WeakPolarHBondContact O-CD2 3.46Å; N1065-Y1069 WeakPolarHBondContact O-CE2 3.46Å
1066S46.5Very low64Low61 Ų6176.6 Ų76.643%0.42740%0.399SS..THydrogen-bonded Turntrans-81.2-19.9-179.663.30000113.7S1064 W1068 Y1069S1064-S1066 VanDerWaalsContact CB-OG 3.31Å; S1064-S1066 WeakPolarHBondContact CB-OG 3.15Å; S1064-S1066 PolarHBondContact O-N 2.78Å; S1064-S1066 PolarHBondContact OG-OG 2.93Å; S1066-W1068 PolarHBondContact O-N 3.39Å; S1066-W1068 VanDerWaalsContact O-N 3.12Å; S1066-Y1069 PolarHBondContact O-N 2.84Å
1067S48.2Very low63.2Low31 Ų3181.1 Ų81.122%0.21742%0.423CS..THydrogen-bonded Turntrans-63.9-18.9-171.958.90000114.3E1062E1062-S1067 VanDerWaalsContact OE2-CB 3.29Å; E1062-S1067 WeakPolarHBondContact OE2-CB 3.49Å
1068W50.1Low62.7Low86 Ų8679.7 Ų79.733%0.32642%0.415SS..THydrogen-bonded Turntrans-96.8-6.2174.564.4-99.3000114.6P1018 N1065 S1066P1018-W1068 HydrophobicContact CB-CH2 4.48Å; P1018-W1068 HydrophobicContact CB-CZ2 4.21Å; P1018-W1068 HydrophobicContact CG-CD2 4.48Å; P1018-W1068 HydrophobicContact CG-CH2 4.33Å; P1018-W1068 HydrophobicContact CG-CZ2 3.6Å; N1065-W1068 VanDerWaalsContact O-CD1 3.26Å; N1065-W1068 PolarHBondContact O-NE1 2.73Å; S1066-W1068 PolarHBondContact O-N 3.39Å; S1066-W1068 VanDerWaalsContact O-N 3.12Å
1069Y45.5Very low62.6Low158 Ų15881 Ų8162%0.6242%0.421SS*.  trans-83.2-12.1-177.8-79-95000114N1065 S1066 N1071N1065-Y1069 WeakPolarHBondContact O-CD2 3.46Å; N1065-Y1069 WeakPolarHBondContact O-CE2 3.46Å; S1066-Y1069 PolarHBondContact O-N 2.84Å; Y1069-N1071 PolarHBondContact O-N 2.83Å; Y1069-N1071 VanDerWaalsContact O-N 3.17Å
1070T39.5Very low62.5Low108 Ų10883.4 Ų83.466%0.66343%0.431SS*.SBendtrans-81.697.1178.848.40000111.4
1071N41.9Very low62.5Low124 Ų12483.5 Ų83.566%0.66343%0.432SS*.SBendtrans75.9121.6-173.2-52-59.7000114.3Y1069 C1073Y1069-N1071 PolarHBondContact O-N 2.83Å; Y1069-N1071 VanDerWaalsContact O-N 3.17Å; N1071-C1073 PolarHBondContact O-N 2.86Å
1072S43.7Very low62.6Low117 Ų11782.2 Ų82.282%0.81843%0.425SS*.  trans-55.594174.1-50.30000111.6R1074S1072-R1074 VanDerWaalsContact C-N 3.28Å; S1072-R1074 PolarHBondContact O-N 2.78Å
1073C50Low62.9Low44 Ų4479 Ų7930%0.29741%0.409SS..  trans-72.285.1175.3-780000110.9K1054 H1056 N1071 F1075K1054-C1073 PolarHBondContact NZ-SG 3.36Å; H1056-C1073 PolarHBondContact ND1-SG 2.88Å; H1056-C1073 VanDerWaalsContact ND1-SG 3.39Å; N1071-C1073 PolarHBondContact O-N 2.86Å; C1073-F1075 HydrophobicContact CB-CE1 4.36Å; C1073-F1075 HydrophobicContact CB-CE2 3.89Å; C1073-F1075 HydrophobicContact CB-CZ 3.77Å; C1073-F1075 WeakPolarHBondContact O-CD2 3.45Å; C1073-F1075 WeakPolarHBondContact O-CE2 3.29Å
1074R55Low64.3Low164 Ų16472.4 Ų72.462%0.61937%0.374SS*.  trans-65.7127.2147.9-52.9-159.2-174.4-170.1-0.5107.5S1072 E1076S1072-R1074 VanDerWaalsContact C-N 3.28Å; S1072-R1074 PolarHBondContact O-N 2.78Å; R1074-E1076 HydrophobicContact CB-CB 4.3Å; R1074-E1076 HydrophobicContact CB-CG 4.12Å; R1074-E1076 VanDerWaalsContact CD-CD 3.41Å; R1074-E1076 WeakPolarHBondContact CD-OE1 3.41Å; R1074-E1076 WeakPolarHBondContact CD-OE2 3.05Å; R1074-E1076 IonicContact CZ-OE2 3.17Å; R1074-E1076 IonicContact NE-OE2 2.67Å; R1074-E1076 IonicContact NH1-OE1 2.67Å; R1074-E1076 PolarHBondContact NH1-OE1 2.97Å; R1074-E1076 IonicContact NH1-OE2 2.83Å; R1074-E1076 PolarHBondContact NH1-OE2 3.36Å
1075F63.3Low66.1Low53 Ų5370.4 Ų70.423%0.23236%0.36CS..  trans-90.915.8171.8-63.2-83.1000111.6C1019 P1021 H1056 C1073 D1077 Q1078C1019-F1075 HydrophobicContact CB-CE2 4.27Å; C1019-F1075 WeakPolarHBondContact O-CE2 3.44Å; P1021-F1075 HydrophobicContact CB-CD1 4.43Å; P1021-F1075 HydrophobicContact CG-CD1 3.87Å; P1021-F1075 HydrophobicContact CG-CD2 4.42Å; P1021-F1075 HydrophobicContact CG-CE1 3.6Å; P1021-F1075 HydrophobicContact CG-CE2 4.18Å; P1021-F1075 HydrophobicContact CG-CG 4.28Å; P1021-F1075 HydrophobicContact CG-CZ 3.77Å; H1056-F1075 HydrophobicContact CB-CE1 4.17Å; H1056-F1075 AromaticContact CD2-CE1 3.97Å; H1056-F1075 AromaticContact CE1-CD1 3.98Å; H1056-F1075 AromaticContact CE1-CE1 3.71Å; H1056-F1075 AromaticContact CG-CE1 3.67Å; H1056-F1075 AromaticContact ND1-CE1 3.53Å; C1073-F1075 HydrophobicContact CB-CE1 4.36Å; C1073-F1075 HydrophobicContact CB-CE2 3.89Å; C1073-F1075 HydrophobicContact CB-CZ 3.77Å; C1073-F1075 WeakPolarHBondContact O-CD2 3.45Å; C1073-F1075 WeakPolarHBondContact O-CE2 3.29Å; F1075-D1077 PolarHBondContact O-N 3.01Å; F1075-Q1078 HydrophobicContact CB-CB 4.48Å; F1075-Q1078 WeakPolarHBondContact O-CB 3.41Å; F1075-Q1078 PolarHBondContact O-N 3.09Å; F1075-Q1078 VanDerWaalsContact O-N 3.16Å
1076E61.4Low68.1Low139 Ų13968.1 Ų68.165%0.6535%0.347SS*.THydrogen-bonded Turntrans-56.9-35.6175.7-68.8167.8-172.900111.3R1074R1074-E1076 HydrophobicContact CB-CB 4.3Å; R1074-E1076 HydrophobicContact CB-CG 4.12Å; R1074-E1076 VanDerWaalsContact CD-CD 3.41Å; R1074-E1076 WeakPolarHBondContact CD-OE1 3.41Å; R1074-E1076 WeakPolarHBondContact CD-OE2 3.05Å; R1074-E1076 IonicContact CZ-OE2 3.17Å; R1074-E1076 IonicContact NE-OE2 2.67Å; R1074-E1076 IonicContact NH1-OE1 2.67Å; R1074-E1076 PolarHBondContact NH1-OE1 2.97Å; R1074-E1076 IonicContact NH1-OE2 2.83Å; R1074-E1076 PolarHBondContact NH1-OE2 3.36Å
1077D72.2Confident70.1Confident106 Ų10666.2 Ų66.257%0.56733%0.331SS*.THydrogen-bonded Turntrans-10133.1177-51.2-59.1000113.2S1045 F1075 L1079S1045-D1077 WeakPolarHBondContact CA-O 3.37Å; S1045-D1077 WeakPolarHBondContact CB-O 3.22Å; S1045-D1077 PolarHBondContact OG-O 3.13Å; F1075-D1077 PolarHBondContact O-N 3.01Å; D1077-L1079 PolarHBondContact O-N 3.32Å
1078Q80.3Confident72Confident38 Ų3868 Ų6818%0.17834%0.339CS..BIsolated β-bridgetrans-74.8123.3177.7-174.1163.3-5.400111.2L1025 L1042 F1075L1025-Q1078 HydrophobicContact CD1-CG 4.21Å; L1042-Q1078 PolarHBondContact O-NE2 3.1Å; F1075-Q1078 HydrophobicContact CB-CB 4.48Å; F1075-Q1078 WeakPolarHBondContact O-CB 3.41Å; F1075-Q1078 PolarHBondContact O-N 3.09Å; F1075-Q1078 VanDerWaalsContact O-N 3.16Å
1079L89.3Confident73.9Confident44 Ų4466.5 Ų66.523%0.2334%0.339CS..  trans-77.8148.6-179.8-63.5178.5000111.9V1044 Y1053 D1077 V1081 F1096V1044-L1079 HydrophobicContact CG1-CD1 4.38Å; V1044-L1079 PolarHBondContact O-N 3.12Å; Y1053-L1079 HydrophobicContact CD1-CD1 3.73Å; Y1053-L1079 HydrophobicContact CE1-CD1 3.78Å; D1077-L1079 PolarHBondContact O-N 3.32Å; L1079-V1081 VanDerWaalsContact C-N 3.33Å; L1079-V1081 HydrophobicContact CB-CG2 4.3Å; L1079-V1081 PolarHBondContact O-N 3.14Å; L1079-F1096 HydrophobicContact CB-CE1 4.11Å; L1079-F1096 HydrophobicContact CD1-CE1 3.87Å; L1079-F1096 HydrophobicContact CD1-CZ 4.34Å
1080Q88.5Confident75.9Confident76 Ų7668.1 Ų68.136%0.35534%0.344SS..  trans-71.884.8172.5-180165.860.600110.5H376 F1096 P1097H376-Q1080 PolarHBondContact NE2-NE2 3.3Å; Q1080-F1096 WeakPolarHBondContact O-CD1 3.27Å; Q1080-P1097 HydrophobicContact CG-CG 3.67Å; Q1080-P1097 WeakPolarHBondContact O-CD 3.17Å
1081V91.9Very high78.4Confident1 Ų163.3 Ų63.31%0.00632%0.315CS..  trans-105125.2176170.30000109.6N1026 V1044 L1079 K1083 V1084 I1094 C1095 F1096N1026-V1081 PolarHBondContact ND2-O 2.85Å; V1044-V1081 HydrophobicContact CB-CG2 3.87Å; V1044-V1081 HydrophobicContact CG2-CB 4.45Å; V1044-V1081 HydrophobicContact CG2-CG1 4.34Å; V1044-V1081 HydrophobicContact CG2-CG2 3.95Å; L1079-V1081 VanDerWaalsContact C-N 3.33Å; L1079-V1081 HydrophobicContact CB-CG2 4.3Å; L1079-V1081 PolarHBondContact O-N 3.14Å; V1081-K1083 WeakPolarHBondContact CG1-O 3.37Å; V1081-V1084 HydrophobicContact CG1-CG2 3.92Å; V1081-I1094 HydrophobicContact CB-CG2 4.41Å; V1081-I1094 HydrophobicContact CG1-CG2 3.84Å; V1081-I1094 HydrophobicContact CG2-CG2 3.6Å; V1081-C1095 CarbonylContact C-O 3.59Å; V1081-C1095 WeakPolarHBondContact CA-O 3.26Å; V1081-F1096 HydrophobicContact CG2-CD1 3.74Å; V1081-F1096 HydrophobicContact CG2-CE1 3.42Å; V1081-F1096 VanDerWaalsContact CG2-CE1 3.42Å; V1081-F1096 HydrophobicContact CG2-CZ 4.08Å
1082I91.1Very high80.9Confident13 Ų1357.4 Ų57.47%0.06728%0.283CS..SBendtrans-66.2-45.2175.4-50.9166.1000110C1095 F1096 V1126 D1127 I1129I1082-C1095 HydrophobicContact CB-CB 4.4Å; I1082-C1095 HydrophobicContact CD1-CB 4.4Å; I1082-C1095 PolarHBondContact N-O 2.58Å; I1082-F1096 WeakPolarHBondContact CD1-O 3.45Å; I1082-V1126 HydrophobicContact CD1-CB 4.09Å; I1082-V1126 HydrophobicContact CD1-CG1 3.9Å; I1082-V1126 WeakPolarHBondContact CD1-O 3.28Å; I1082-D1127 WeakPolarHBondContact CG2-O 3.44Å; I1082-I1129 HydrophobicContact CD1-CD1 3.91Å
1083K91.6Very high83.4Confident14 Ų1451.9 Ų51.96%0.06124%0.244CC..EExtended strand (participates in β ladder)trans-166.2146-169.2-154.9166.6-172.7165.10111.2S379 Q381 V1081 V1085 C1095 I1129S379-K1083 PolarHBondContact OG-NZ 2.82Å; Q381-K1083 VanDerWaalsContact OE1-CE 3.31Å; V1081-K1083 WeakPolarHBondContact CG1-O 3.37Å; K1083-V1085 HydrophobicContact CB-CG2 4.42Å; K1083-V1085 HydrophobicContact CD-CG2 3.91Å; K1083-V1085 HydrophobicContact CG-CG2 3.88Å; K1083-C1095 PolarHBondContact O-N 2.73Å; K1083-I1129 PolarHBondContact NZ-O 3.35Å; K1083-I1129 VanDerWaalsContact NZ-O 3.08Å
1084V94.2Very high85.5Confident4 Ų449.8 Ų49.82%0.02423%0.23CC..EExtended strand (participates in β ladder)trans-110.9112.6164.2-177.90000108.9D1028 V1044 V1081 L1092 L1093D1028-V1084 HydrophobicContact CB-CB 4.24Å; D1028-V1084 VanDerWaalsContact CB-O 3.31Å; D1028-V1084 WeakPolarHBondContact CB-O 3.48Å; D1028-V1084 VanDerWaalsContact CG-O 3.22Å; D1028-V1084 PolarHBondContact OD2-N 3.18Å; V1044-V1084 HydrophobicContact CG2-CG2 3.83Å; V1081-V1084 HydrophobicContact CG1-CG2 3.92Å; V1084-L1092 HydrophobicContact CG1-CB 4.21Å; V1084-L1092 HydrophobicContact CG1-CD1 4.28Å; V1084-L1093 WeakPolarHBondContact CA-O 3.2Å
1085V92.6Very high87.4Confident18 Ų1842 Ų4211%0.10920%0.201CC..EExtended strand (participates in β ladder)trans-105.7125.2-176.8-177.90000110.3K1083 L1087 L1092 L1093 R1131K1083-V1085 HydrophobicContact CB-CG2 4.42Å; K1083-V1085 HydrophobicContact CD-CG2 3.91Å; K1083-V1085 HydrophobicContact CG-CG2 3.88Å; V1085-L1087 PolarHBondContact O-N 2.97Å; V1085-L1092 CarbonylContact O-C 3.59Å; V1085-L1092 WeakPolarHBondContact O-CA 3.38Å; V1085-L1093 HydrophobicContact CB-CB 4.38Å; V1085-L1093 PolarHBondContact N-O 2.96Å; V1085-L1093 PolarHBondContact O-N 2.97Å; V1085-R1131 HydrophobicContact CG1-CB 3.78Å; V1085-R1131 HydrophobicContact CG1-CG 3.79Å
1086Q92.6Very high88.8Confident32 Ų3240.2 Ų40.215%0.1519%0.193CC..EExtended strand (participates in β ladder)trans-71.4122.2169.3-174.5172.815.200110.3I1031 D1088 L1092 R1131I1031-Q1086 PolarHBondContact O-NE2 2.64Å; Q1086-D1088 WeakPolarHBondContact CG-O 3.41Å; Q1086-D1088 PolarHBondContact NE2-O 3.4Å; Q1086-L1092 HydrophobicContact CB-CD2 3.89Å; Q1086-L1092 HydrophobicContact CG-CD2 4Å; Q1086-R1131 PolarHBondContact O-NH1 2.9Å
1087L89.7Confident90.4Very high21 Ų2134.7 Ų34.711%0.1117%0.169CC..  trans-88.3-53.3176.9-63.9-178.2000110.4V1085 S1091 L1093 M1102 R1131 F1149V1085-L1087 PolarHBondContact O-N 2.97Å; L1087-S1091 WeakPolarHBondContact CB-OG 3.48Å; L1087-S1091 PolarHBondContact N-O 3.03Å; L1087-L1093 HydrophobicContact CD1-CB 4.04Å; L1087-L1093 HydrophobicContact CD2-CB 4.12Å; L1087-L1093 HydrophobicContact CG-CB 4.02Å; L1087-M1102 HydrophobicContact CD1-CE 3.73Å; L1087-M1102 HydrophobicContact CD1-CG 4Å; L1087-M1102 HydrophobicContact CD1-SD 4.27Å; L1087-R1131 HydrophobicContact CD2-CG 4.36Å; L1087-R1131 PolarHBondContact O-NH1 2.93Å; L1087-F1149 HydrophobicContact CD1-CE1 4.39Å; L1087-F1149 HydrophobicContact CD2-CE1 3.71Å; L1087-F1149 HydrophobicContact CD2-CE2 4.34Å; L1087-F1149 HydrophobicContact CD2-CZ 3.57Å
1088D87.8Confident91.3Very high69 Ų6933.6 Ų33.637%0.36917%0.166SC..SBendtrans-140.1-169.9176.881.574.7000112.5Q1086 R1090 S1091Q1086-D1088 WeakPolarHBondContact CG-O 3.41Å; Q1086-D1088 PolarHBondContact NE2-O 3.4Å; D1088-R1090 PolarHBondContact O-N 2.88Å; D1088-R1090 VanDerWaalsContact O-N 3.16Å; D1088-R1090 PolarHBondContact OD1-N 3.37Å; D1088-S1091 PolarHBondContact N-O 3.3Å; D1088-S1091 WeakPolarHBondContact OD2-CB 3.21Å; D1088-S1091 PolarHBondContact OD2-OG 2.88Å
1089T88.9Confident91.9Very high54 Ų5433 Ų3333%0.33116%0.163SC..SBendtrans-59.6-14.7175.756.10000117F983 P1033F983-T1089 HydrophobicContact CE1-CG2 4.06Å; F983-T1089 HydrophobicContact CE2-CG2 4.26Å; F983-T1089 HydrophobicContact CZ-CG2 3.45Å; F983-T1089 VanDerWaalsContact CZ-CG2 3.45Å; P1033-T1089 HydrophobicContact CG-CG2 3.72Å
1090R89Confident92Very high192 Ų19230.9 Ų30.973%0.72515%0.152SC*.SBendtrans-131.8-17.3-171.6-63.7177.7-176.8177.60.3113.7D1088 N1104 M1105D1088-R1090 PolarHBondContact O-N 2.88Å; D1088-R1090 VanDerWaalsContact O-N 3.16Å; D1088-R1090 PolarHBondContact OD1-N 3.37Å; R1090-N1104 CarbonylContact O-C 3.57Å; R1090-N1104 VanDerWaalsContact O-CA 3.27Å; R1090-N1104 WeakPolarHBondContact O-CA 3.27Å; R1090-M1105 WeakPolarHBondContact O-CG 3.3Å; R1090-M1105 PolarHBondContact O-N 3.18Å; R1090-M1105 VanDerWaalsContact O-N 3.12Å
1091S92.3Very high92.3Very high7 Ų727.3 Ų27.35%0.04914%0.136CC..EExtended strand (participates in β ladder)trans-122.1144.5-175.674.10000113.9L1087 D1088 V1103L1087-S1091 WeakPolarHBondContact CB-OG 3.48Å; L1087-S1091 PolarHBondContact N-O 3.03Å; D1088-S1091 PolarHBondContact N-O 3.3Å; D1088-S1091 WeakPolarHBondContact OD2-CB 3.21Å; D1088-S1091 PolarHBondContact OD2-OG 2.88Å; S1091-V1103 CarbonylContact C-O 3.6Å; S1091-V1103 VanDerWaalsContact CA-O 3.28Å; S1091-V1103 WeakPolarHBondContact CA-O 3.47Å
1092L94.5Very high92.4Very high0 Ų028.7 Ų28.70%014%0.143CC..EExtended strand (participates in β ladder)trans-126.3146.3176.4-50.7170.1000108.5I1030 L1055 V1084 V1085 Q1086 M1102 V1103 M1105I1030-L1092 HydrophobicContact CD1-CD1 3.97Å; I1030-L1092 HydrophobicContact CD1-CD2 3.99Å; I1030-L1092 HydrophobicContact CG1-CD2 4.19Å; I1030-L1092 HydrophobicContact CG2-CD2 4.15Å; L1055-L1092 HydrophobicContact CD1-CD1 3.64Å; V1084-L1092 HydrophobicContact CG1-CB 4.21Å; V1084-L1092 HydrophobicContact CG1-CD1 4.28Å; V1085-L1092 CarbonylContact O-C 3.59Å; V1085-L1092 WeakPolarHBondContact O-CA 3.38Å; Q1086-L1092 HydrophobicContact CB-CD2 3.89Å; Q1086-L1092 HydrophobicContact CG-CD2 4Å; L1092-M1102 CarbonylContact O-C 3.5Å; L1092-M1102 WeakPolarHBondContact O-CA 3.32Å; L1092-V1103 HydrophobicContact CB-CG2 3.86Å; L1092-V1103 HydrophobicContact CD1-CG2 4.46Å; L1092-V1103 PolarHBondContact N-O 3.36Å; L1092-V1103 PolarHBondContact O-N 3.47Å; L1092-M1105 HydrophobicContact CD2-CE 4.44Å; L1092-M1105 HydrophobicContact CD2-SD 4.09Å; L1092-M1105 HydrophobicContact CG-SD 4.11Å
1093L94.4Very high92.5Very high0 Ų028.1 Ų28.10%014%0.139CC..EExtended strand (participates in β ladder)trans-100.4118.8167.3-169.172.7000108.6V1084 V1085 L1087 A1100 M1102 F1120 V1136V1084-L1093 WeakPolarHBondContact CA-O 3.2Å; V1085-L1093 HydrophobicContact CB-CB 4.38Å; V1085-L1093 PolarHBondContact N-O 2.96Å; V1085-L1093 PolarHBondContact O-N 2.97Å; L1087-L1093 HydrophobicContact CD1-CB 4.04Å; L1087-L1093 HydrophobicContact CD2-CB 4.12Å; L1087-L1093 HydrophobicContact CG-CB 4.02Å; L1093-A1100 HydrophobicContact CD1-CB 3.87Å; L1093-A1100 HydrophobicContact CD2-CB 4.21Å; L1093-A1100 HydrophobicContact CG-CB 4.02Å; L1093-M1102 HydrophobicContact CD1-CB 4.47Å; L1093-M1102 HydrophobicContact CD1-CG 3.5Å; L1093-F1120 HydrophobicContact CD1-CE1 3.99Å; L1093-F1120 HydrophobicContact CD1-CZ 4.09Å; L1093-F1120 HydrophobicContact CD2-CZ 4.4Å; L1093-V1136 HydrophobicContact CD2-CG1 3.74Å
1094I95Very high92.6Very high0 Ų029.7 Ų29.70%015%0.149CC..EExtended strand (participates in β ladder)trans-93.4123.7169.2-52178.1000107.4V1044 Y1053 L1055 V1081 F1096 A1100 T1101 V1103V1044-I1094 HydrophobicContact CG1-CD1 4.17Å; V1044-I1094 HydrophobicContact CG2-CD1 4.47Å; V1044-I1094 HydrophobicContact CG2-CG2 4.21Å; Y1053-I1094 HydrophobicContact CD2-CD1 3.85Å; Y1053-I1094 HydrophobicContact CG-CD1 3.92Å; L1055-I1094 HydrophobicContact CD2-CD1 3.89Å; V1081-I1094 HydrophobicContact CB-CG2 4.41Å; V1081-I1094 HydrophobicContact CG1-CG2 3.84Å; V1081-I1094 HydrophobicContact CG2-CG2 3.6Å; I1094-F1096 HydrophobicContact CB-CE2 4.13Å; I1094-F1096 HydrophobicContact CB-CZ 4.38Å; I1094-F1096 HydrophobicContact CG2-CD2 4.36Å; I1094-F1096 HydrophobicContact CG2-CE1 4.16Å; I1094-F1096 HydrophobicContact CG2-CE2 3.63Å; I1094-F1096 HydrophobicContact CG2-CZ 3.51Å; I1094-A1100 CarbonylContact O-C 3.2Å; I1094-A1100 WeakPolarHBondContact O-CA 3.48Å; I1094-T1101 PolarHBondContact N-O 3.25Å; I1094-T1101 PolarHBondContact O-N 3.12Å; I1094-V1103 HydrophobicContact CD1-CB 4.46Å; I1094-V1103 HydrophobicContact CD1-CG1 3.71Å; I1094-V1103 HydrophobicContact CD1-CG2 3.88Å; I1094-V1103 HydrophobicContact CG1-CG1 4.21Å; I1094-V1103 HydrophobicContact CG1-CG2 3.91Å
1095C94.2Very high92.5Very high0 Ų031.3 Ų31.30%016%0.156CC..EExtended strand (participates in β ladder)trans-110.3122-178.3-55.20000111.4V1081 I1082 K1083 I1129V1081-C1095 CarbonylContact C-O 3.59Å; V1081-C1095 WeakPolarHBondContact CA-O 3.26Å; I1082-C1095 HydrophobicContact CB-CB 4.4Å; I1082-C1095 HydrophobicContact CD1-CB 4.4Å; I1082-C1095 PolarHBondContact N-O 2.58Å; K1083-C1095 PolarHBondContact O-N 2.73Å; C1095-I1129 HydrophobicContact CB-CD1 3.36Å
1096F94Very high92.5Very high17 Ų1736.5 Ų36.58%0.07518%0.184CC..EExtended strand (participates in β ladder)trans-106.6161.7173.9-53.3-90.4000109.4Y1053 L1079 Q1080 V1081 I1082 I1094 T1098 H1099 F1122Y1053-F1096 HydrophobicContact CD1-CZ 4.18Å; Y1053-F1096 HydrophobicContact CE1-CE1 4.33Å; Y1053-F1096 HydrophobicContact CE1-CE2 4.31Å; Y1053-F1096 AromaticContact CE1-CZ 3.54Å; Y1053-F1096 HydrophobicContact CE1-CZ 3.54Å; Y1053-F1096 AromaticContact CZ-CZ 3.75Å; L1079-F1096 HydrophobicContact CB-CE1 4.11Å; L1079-F1096 HydrophobicContact CD1-CE1 3.87Å; L1079-F1096 HydrophobicContact CD1-CZ 4.34Å; Q1080-F1096 WeakPolarHBondContact O-CD1 3.27Å; V1081-F1096 HydrophobicContact CG2-CD1 3.74Å; V1081-F1096 HydrophobicContact CG2-CE1 3.42Å; V1081-F1096 VanDerWaalsContact CG2-CE1 3.42Å; V1081-F1096 HydrophobicContact CG2-CZ 4.08Å; I1082-F1096 WeakPolarHBondContact CD1-O 3.45Å; I1094-F1096 HydrophobicContact CB-CE2 4.13Å; I1094-F1096 HydrophobicContact CB-CZ 4.38Å; I1094-F1096 HydrophobicContact CG2-CD2 4.36Å; I1094-F1096 HydrophobicContact CG2-CE1 4.16Å; I1094-F1096 HydrophobicContact CG2-CE2 3.63Å; I1094-F1096 HydrophobicContact CG2-CZ 3.51Å; F1096-T1098 PolarHBondContact O-N 2.89Å; F1096-H1099 CarbonylContact C-O 3.59Å; F1096-H1099 WeakPolarHBondContact CA-O 3.39Å; F1096-H1099 WeakPolarHBondContact CB-O 3.4Å; F1096-H1099 AromaticContact CD2-CD2 3.7Å; F1096-H1099 AromaticContact CD2-CE1 3.66Å; F1096-H1099 AromaticContact CD2-NE2 3.31Å; F1096-H1099 VanDerWaalsContact CD2-NE2 3.31Å; F1096-H1099 WeakPolarHBondContact CD2-NE2 3.4Å; F1096-H1099 AromaticContact CE2-NE2 3.77Å; F1096-H1099 AromaticContact CG-CE1 3.77Å; F1096-H1099 AromaticContact CG-NE2 3.91Å; F1096-H1099 PolarHBondContact N-O 2.64Å; F1096-H1099 PolarHBondContact O-N 3.16Å; F1096-F1122 VanDerWaalsContact O-CE2 3.31Å; F1096-F1122 WeakPolarHBondContact O-CE2 3.36Å
1097P93.5Very high92.5Very high22 Ų2235 Ų3514%0.14318%0.177CC..THydrogen-bonded Turntrans-52.1-29.9179.4-29.534.7000115.5Q1080 T1125 V1126Q1080-P1097 HydrophobicContact CG-CG 3.67Å; Q1080-P1097 WeakPolarHBondContact O-CD 3.17Å; P1097-T1125 HydrophobicContact CB-CG2 3.92Å; P1097-T1125 CarbonylContact O-C 3.55Å; P1097-T1125 WeakPolarHBondContact O-CA 3.42Å; P1097-V1126 PolarHBondContact O-N 3.42Å
1098T92.4Very high92.7Very high83 Ų8341.4 Ų41.451%0.50920%0.199SC..THydrogen-bonded Turntrans-107.6-11.6-174.656.50000115F1096 F1122F1096-T1098 PolarHBondContact O-N 2.89Å; T1098-F1122 PolarHBondContact O-N 2.92Å
1099H92.2Very high93Very high25 Ų2538.9 Ų38.912%0.11619%0.187CC..EExtended strand (participates in β ladder)trans-168.4159-174.163.8-76.1000111.9F1096 K1119 F1120 F1122F1096-H1099 CarbonylContact C-O 3.59Å; F1096-H1099 WeakPolarHBondContact CA-O 3.39Å; F1096-H1099 WeakPolarHBondContact CB-O 3.4Å; F1096-H1099 AromaticContact CD2-CD2 3.7Å; F1096-H1099 AromaticContact CD2-CE1 3.66Å; F1096-H1099 AromaticContact CD2-NE2 3.31Å; F1096-H1099 VanDerWaalsContact CD2-NE2 3.31Å; F1096-H1099 WeakPolarHBondContact CD2-NE2 3.4Å; F1096-H1099 AromaticContact CE2-NE2 3.77Å; F1096-H1099 AromaticContact CG-CE1 3.77Å; F1096-H1099 AromaticContact CG-NE2 3.91Å; F1096-H1099 PolarHBondContact N-O 2.64Å; F1096-H1099 PolarHBondContact O-N 3.16Å; H1099-K1119 WeakPolarHBondContact CD2-CE 3.43Å; H1099-K1119 PolarHBondContact CD2-NZ 2.86Å; H1099-K1119 PolarHBondContact CE1-NZ 2.84Å; H1099-K1119 PolarHBondContact NE2-NZ 3.44Å; H1099-F1120 VanDerWaalsContact CA-O 3.28Å; H1099-F1120 WeakPolarHBondContact CA-O 3.47Å; H1099-F1120 VanDerWaalsContact CB-O 3.26Å; H1099-F1120 WeakPolarHBondContact CB-O 3.49Å; H1099-F1122 VanDerWaalsContact N-CD2 3.28Å
1100A92.5Very high93.1Very high0 Ų038.9 Ų38.90%018%0.184CC..EExtended strand (participates in β ladder)trans-110.5159.2163.600000111.7L1093 I1094 K1119 F1120 F1122L1093-A1100 HydrophobicContact CD1-CB 3.87Å; L1093-A1100 HydrophobicContact CD2-CB 4.21Å; L1093-A1100 HydrophobicContact CG-CB 4.02Å; I1094-A1100 CarbonylContact O-C 3.2Å; I1094-A1100 WeakPolarHBondContact O-CA 3.48Å; A1100-K1119 VanDerWaalsContact O-CA 3.31Å; A1100-K1119 WeakPolarHBondContact O-CA 3.45Å; A1100-F1120 HydrophobicContact CB-CD2 4.38Å; A1100-F1120 HydrophobicContact CB-CE1 4.18Å; A1100-F1120 HydrophobicContact CB-CE2 3.8Å; A1100-F1120 HydrophobicContact CB-CZ 3.69Å; A1100-F1120 PolarHBondContact N-O 3.21Å; A1100-F1120 PolarHBondContact O-N 3.12Å; A1100-F1120 VanDerWaalsContact O-N 3.1Å; A1100-F1122 HydrophobicContact CB-CE1 4.44Å; A1100-F1122 HydrophobicContact CB-CE2 4.32Å; A1100-F1122 HydrophobicContact CB-CZ 3.74Å
1101T93.5Very high92.9Very high1 Ų133.5 Ų33.51%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-142.2127.9177.5-57.40000110.5Y1053 I1094 V1103 V1109 A1118 K1119Y1053-T1101 HydrophobicContact CE2-CG2 4.21Å; I1094-T1101 PolarHBondContact N-O 3.25Å; I1094-T1101 PolarHBondContact O-N 3.12Å; T1101-V1103 HydrophobicContact CG2-CG1 4.45Å; T1101-V1109 HydrophobicContact CG2-CB 4.22Å; T1101-V1109 HydrophobicContact CG2-CG1 3.47Å; T1101-V1109 VanDerWaalsContact CG2-CG1 3.47Å; T1101-V1109 HydrophobicContact CG2-CG2 3.72Å; T1101-A1118 CarbonylContact C-O 3.56Å; T1101-A1118 WeakPolarHBondContact CA-O 3.36Å; T1101-K1119 HydrophobicContact CG2-CB 4.2Å
1102M93.6Very high92Very high31 Ų3135.5 Ų35.515%0.15319%0.187CC..EExtended strand (participates in β ladder)trans-81.9129.6173.8-60.217159.600110L1087 L1092 L1093 L1110 A1118 F1149L1087-M1102 HydrophobicContact CD1-CE 3.73Å; L1087-M1102 HydrophobicContact CD1-CG 4Å; L1087-M1102 HydrophobicContact CD1-SD 4.27Å; L1092-M1102 CarbonylContact O-C 3.5Å; L1092-M1102 WeakPolarHBondContact O-CA 3.32Å; L1093-M1102 HydrophobicContact CD1-CB 4.47Å; L1093-M1102 HydrophobicContact CD1-CG 3.5Å; M1102-L1110 HydrophobicContact CB-CB 4.41Å; M1102-L1110 HydrophobicContact CB-CD1 4.1Å; M1102-L1110 HydrophobicContact CB-CG 4.41Å; M1102-L1110 HydrophobicContact CE-CD1 4.26Å; M1102-L1110 PolarHBondContact O-N 3Å; M1102-A1118 HydrophobicContact CB-CB 3.85Å; M1102-A1118 HydrophobicContact CG-CB 4.32Å; M1102-A1118 PolarHBondContact N-O 3.49Å; M1102-A1118 HydrophobicContact SD-CB 4.19Å; M1102-F1149 HydrophobicContact SD-CB 4.39Å
1103V94.8Very high91Very high0 Ų048.2 Ų48.20%023%0.234CC..EExtended strand (participates in β ladder)trans-125.1162.5177.1-58.20000110.7Y1053 S1091 L1092 I1094 T1101 R1108 V1109Y1053-V1103 HydrophobicContact CD2-CG1 3.9Å; Y1053-V1103 HydrophobicContact CE2-CG1 4.43Å; S1091-V1103 CarbonylContact C-O 3.6Å; S1091-V1103 VanDerWaalsContact CA-O 3.28Å; S1091-V1103 WeakPolarHBondContact CA-O 3.47Å; L1092-V1103 HydrophobicContact CB-CG2 3.86Å; L1092-V1103 HydrophobicContact CD1-CG2 4.46Å; L1092-V1103 PolarHBondContact N-O 3.36Å; L1092-V1103 PolarHBondContact O-N 3.47Å; I1094-V1103 HydrophobicContact CD1-CB 4.46Å; I1094-V1103 HydrophobicContact CD1-CG1 3.71Å; I1094-V1103 HydrophobicContact CD1-CG2 3.88Å; I1094-V1103 HydrophobicContact CG1-CG1 4.21Å; I1094-V1103 HydrophobicContact CG1-CG2 3.91Å; T1101-V1103 HydrophobicContact CG2-CG1 4.45Å; V1103-R1108 CarbonylContact C-O 3.56Å; V1103-R1108 WeakPolarHBondContact CA-O 3.41Å; V1103-R1108 WeakPolarHBondContact CB-O 3.43Å; V1103-V1109 HydrophobicContact CG1-CG2 4.14Å
1104N93.7Very high89.9Confident47 Ų4753 Ų5325%0.25126%0.26SS..EExtended strand (participates in β ladder)trans-80.2172.9163.270.323.7000111.9R1090 N1106 G1107 R1108 L1110R1090-N1104 CarbonylContact O-C 3.57Å; R1090-N1104 VanDerWaalsContact O-CA 3.27Å; R1090-N1104 WeakPolarHBondContact O-CA 3.27Å; N1104-N1106 PolarHBondContact O-N 3.07Å; N1104-N1106 WeakPolarHBondContact OD1-CA 3.14Å; N1104-N1106 WeakPolarHBondContact OD1-CB 3.32Å; N1104-N1106 PolarHBondContact OD1-N 3.19Å; N1104-G1107 PolarHBondContact O-N 2.85Å; N1104-G1107 PolarHBondContact OD1-N 2.89Å; N1104-R1108 PolarHBondContact N-O 3.45Å; N1104-R1108 PolarHBondContact OD1-N 2.99Å; N1104-R1108 VanDerWaalsContact OD1-N 3.14Å; N1104-L1110 HydrophobicContact CB-CD2 3.97Å
1105M90.8Very high88.7Confident38 Ų3855.6 Ų55.619%0.18729%0.286CS..THydrogen-bonded Turntrans-55-18.6178.2-52.7-56.7-70.800115.2I1030 N1032 R1090 L1092I1030-M1105 HydrophobicContact CG2-CE 3.51Å; N1032-M1105 VanDerWaalsContact OD1-CE 3.29Å; N1032-M1105 WeakPolarHBondContact OD1-CE 3.39Å; R1090-M1105 WeakPolarHBondContact O-CG 3.3Å; R1090-M1105 PolarHBondContact O-N 3.18Å; R1090-M1105 VanDerWaalsContact O-N 3.12Å; L1092-M1105 HydrophobicContact CD2-CE 4.44Å; L1092-M1105 HydrophobicContact CD2-SD 4.09Å; L1092-M1105 HydrophobicContact CG-SD 4.11Å
1106N92.3Very high87.8Confident128 Ų12864.1 Ų64.168%0.68432%0.319SS*.THydrogen-bonded Turntrans-97.911.1178.1-58.9-9.5000112.3N1104 R1108N1104-N1106 PolarHBondContact O-N 3.07Å; N1104-N1106 WeakPolarHBondContact OD1-CA 3.14Å; N1104-N1106 WeakPolarHBondContact OD1-CB 3.32Å; N1104-N1106 PolarHBondContact OD1-N 3.19Å; N1106-R1108 VanDerWaalsContact C-N 3.27Å; N1106-R1108 PolarHBondContact O-N 2.76Å
1107G93.1Very high86.9Confident0 Ų067.5 Ų67.50%034%0.337CS..SBendtrans75.33.4179.100000115.7Y1053 N1104Y1053-G1107 PolarHBondContact N-O 3.06Å; Y1053-G1107 WeakPolarHBondContact O-CA 3.38Å; N1104-G1107 PolarHBondContact O-N 2.85Å; N1104-G1107 PolarHBondContact OD1-N 2.89Å
1108R94.4Very high86.4Confident155 Ų15567.7 Ų67.759%0.58534%0.34SS*.BIsolated β-bridgetrans-75.1131.5173.4-53.4-160.9165165.6-6.5110.2L1051 V1052 V1103 N1104 N1106L1051-R1108 CarbonylContact O-C 3.59Å; L1051-R1108 WeakPolarHBondContact O-CA 3.33Å; V1052-R1108 HydrophobicContact CG1-CG 4.26Å; V1052-R1108 HydrophobicContact CG2-CB 4.37Å; V1052-R1108 HydrophobicContact CG2-CG 3.86Å; V1103-R1108 CarbonylContact C-O 3.56Å; V1103-R1108 WeakPolarHBondContact CA-O 3.41Å; V1103-R1108 WeakPolarHBondContact CB-O 3.43Å; N1104-R1108 PolarHBondContact N-O 3.45Å; N1104-R1108 PolarHBondContact OD1-N 2.99Å; N1104-R1108 VanDerWaalsContact OD1-N 3.14Å; N1106-R1108 VanDerWaalsContact C-N 3.27Å; N1106-R1108 PolarHBondContact O-N 2.76Å
1109V93.2Very high86.1Confident17 Ų1768.8 Ų68.810%0.10334%0.338CS..BIsolated β-bridgetrans-62.7137.2179.1-177.30000110.7L1051 Y1053 T1101 V1103 I1117L1051-V1109 WeakPolarHBondContact O-CG2 3.42Å; L1051-V1109 PolarHBondContact O-N 2.56Å; Y1053-V1109 HydrophobicContact CD2-CG2 3.99Å; Y1053-V1109 HydrophobicContact CE2-CG2 3.66Å; T1101-V1109 HydrophobicContact CG2-CB 4.22Å; T1101-V1109 HydrophobicContact CG2-CG1 3.47Å; T1101-V1109 VanDerWaalsContact CG2-CG1 3.47Å; T1101-V1109 HydrophobicContact CG2-CG2 3.72Å; V1103-V1109 HydrophobicContact CG1-CG2 4.14Å; V1109-I1117 HydrophobicContact CG1-CG2 3.46Å; V1109-I1117 VanDerWaalsContact CG1-CG2 3.46Å
1110L91.9Very high85.9Confident53 Ų5368.1 Ų68.128%0.27733%0.334SS..PPolyproline II helixtrans-76.9140.9175.1-60.2-175.2000110.1M1102 N1104 A1118M1102-L1110 HydrophobicContact CB-CB 4.41Å; M1102-L1110 HydrophobicContact CB-CD1 4.1Å; M1102-L1110 HydrophobicContact CB-CG 4.41Å; M1102-L1110 HydrophobicContact CE-CD1 4.26Å; M1102-L1110 PolarHBondContact O-N 3Å; N1104-L1110 HydrophobicContact CB-CD2 3.97Å; L1110-A1118 HydrophobicContact CB-CB 4.07Å; L1110-A1118 VanDerWaalsContact O-CB 3.25Å; L1110-A1118 WeakPolarHBondContact O-CB 3.28Å; L1110-A1118 PolarHBondContact O-N 2.92Å
1111V84.5Confident85.7Confident80 Ų8071.8 Ų71.849%0.48536%0.358SS..BIsolated β-bridgetrans-124.2134.5177.6-175.20000107.9R1116V1111-R1116 CarbonylContact C-O 3.6Å; V1111-R1116 WeakPolarHBondContact CA-O 3.5Å
1112S73.7Confident85.4Confident49 Ų4971.9 Ų71.934%0.34336%0.359SS..  trans-72.3169.5178.268.30000111.9D1114 G1115 R1116S1112-D1114 VanDerWaalsContact CB-OD1 3.27Å; S1112-D1114 WeakPolarHBondContact CB-OD1 3.34Å; S1112-D1114 PolarHBondContact O-N 3.42Å; S1112-D1114 PolarHBondContact OG-OD1 3.09Å; S1112-G1115 PolarHBondContact O-N 3.19Å; S1112-R1116 PolarHBondContact N-O 3.42Å; S1112-R1116 WeakPolarHBondContact OG-CB 3.38Å; S1112-R1116 PolarHBondContact OG-N 3.22Å; S1112-R1116 PolarHBondContact OG-O 2.99Å
1113R73Confident85Confident266 Ų26676.5 Ų76.5100%1.00438%0.384SS*.THydrogen-bonded Turntrans-63.3-24.3178-69.2-175.4179178.3-0.2113.7G1115R1113-G1115 VanDerWaalsContact C-N 3.34Å
1114D72.4Confident84.6Confident102 Ų10279.1 Ų79.155%0.54540%0.4SS..THydrogen-bonded Turntrans-94.718174.765.5-44.6000113S1112 R1116S1112-D1114 VanDerWaalsContact CB-OD1 3.27Å; S1112-D1114 WeakPolarHBondContact CB-OD1 3.34Å; S1112-D1114 PolarHBondContact O-N 3.42Å; S1112-D1114 PolarHBondContact OG-OD1 3.09Å; D1114-R1116 VanDerWaalsContact C-N 3.29Å; D1114-R1116 PolarHBondContact O-N 2.85Å; D1114-R1116 WeakPolarHBondContact OD2-CD 3.14Å; D1114-R1116 WeakPolarHBondContact OD2-CG 3.49Å; D1114-R1116 IonicContact OD2-CZ 2.66Å; D1114-R1116 IonicContact OD2-NE 3.51Å; D1114-R1116 PolarHBondContact OD2-NE 3.36Å; D1114-R1116 IonicContact OD2-NH2 2.98Å
1115G69Low84.6Confident53 Ų5380.8 Ų80.855%0.54641%0.412SS..SBendtrans78.23.717200000115.3S1112 R1113 I1117S1112-G1115 PolarHBondContact O-N 3.19Å; R1113-G1115 VanDerWaalsContact C-N 3.34Å; G1115-I1117 PolarHBondContact O-N 2.9Å
1116R75Confident84.6Confident180 Ų18079.1 Ų79.168%0.67940%0.404SS*.  trans-74.1127.5177.1-55.9-174.9-163.3-151.3-2.7109.9V1111 S1112 D1114 A1118V1111-R1116 CarbonylContact C-O 3.6Å; V1111-R1116 WeakPolarHBondContact CA-O 3.5Å; S1112-R1116 PolarHBondContact N-O 3.42Å; S1112-R1116 WeakPolarHBondContact OG-CB 3.38Å; S1112-R1116 PolarHBondContact OG-N 3.22Å; S1112-R1116 PolarHBondContact OG-O 2.99Å; D1114-R1116 VanDerWaalsContact C-N 3.29Å; D1114-R1116 PolarHBondContact O-N 2.85Å; D1114-R1116 WeakPolarHBondContact OD2-CD 3.14Å; D1114-R1116 WeakPolarHBondContact OD2-CG 3.49Å; D1114-R1116 IonicContact OD2-CZ 2.66Å; D1114-R1116 IonicContact OD2-NE 3.51Å; D1114-R1116 PolarHBondContact OD2-NE 3.36Å; D1114-R1116 IonicContact OD2-NH2 2.98Å; R1116-A1118 PolarHBondContact O-N 3.11Å
1117I75.6Confident84.5Confident88 Ų8876.3 Ų76.345%0.45139%0.389SS..BIsolated β-bridgetrans-61.9130.7167.8-58.5178.3000107.5L1051 V1109 G1115 K1119L1051-I1117 HydrophobicContact CD2-CD1 3.9Å; L1051-I1117 HydrophobicContact CD2-CG1 4.43Å; V1109-I1117 HydrophobicContact CG1-CG2 3.46Å; V1109-I1117 VanDerWaalsContact CG1-CG2 3.46Å; G1115-I1117 PolarHBondContact O-N 2.9Å; I1117-K1119 HydrophobicContact CG2-CB 3.93Å; I1117-K1119 PolarHBondContact O-N 2.82Å
1118A82.1Confident84.5Confident26 Ų2676.6 Ų76.622%0.21539%0.391CS..SBendtrans-76.260.517900000111.5T1101 M1102 L1110 R1116T1101-A1118 CarbonylContact C-O 3.56Å; T1101-A1118 WeakPolarHBondContact CA-O 3.36Å; M1102-A1118 HydrophobicContact CB-CB 3.85Å; M1102-A1118 HydrophobicContact CG-CB 4.32Å; M1102-A1118 PolarHBondContact N-O 3.49Å; M1102-A1118 HydrophobicContact SD-CB 4.19Å; L1110-A1118 HydrophobicContact CB-CB 4.07Å; L1110-A1118 VanDerWaalsContact O-CB 3.25Å; L1110-A1118 WeakPolarHBondContact O-CB 3.28Å; L1110-A1118 PolarHBondContact O-N 2.92Å; R1116-A1118 PolarHBondContact O-N 3.11Å
1119K86.9Confident84.3Confident105 Ų10569.2 Ų69.246%0.45736%0.363SS..EExtended strand (participates in β ladder)trans-127.9126.9179.9165166.4169.8154.10108.6H1099 A1100 T1101 I1117H1099-K1119 WeakPolarHBondContact CD2-CE 3.43Å; H1099-K1119 PolarHBondContact CD2-NZ 2.86Å; H1099-K1119 PolarHBondContact CE1-NZ 2.84Å; H1099-K1119 PolarHBondContact NE2-NZ 3.44Å; A1100-K1119 VanDerWaalsContact O-CA 3.31Å; A1100-K1119 WeakPolarHBondContact O-CA 3.45Å; T1101-K1119 HydrophobicContact CG2-CB 4.2Å; I1117-K1119 HydrophobicContact CG2-CB 3.93Å; I1117-K1119 PolarHBondContact O-N 2.82Å
1120F86.9Confident84.2Confident11 Ų1168.9 Ų68.95%0.04836%0.361CS..EExtended strand (participates in β ladder)trans-125.8134.2178.551.4-88.9000110.3L1093 H1099 A1100 F1122 V1136 I1147L1093-F1120 HydrophobicContact CD1-CE1 3.99Å; L1093-F1120 HydrophobicContact CD1-CZ 4.09Å; L1093-F1120 HydrophobicContact CD2-CZ 4.4Å; H1099-F1120 VanDerWaalsContact CA-O 3.28Å; H1099-F1120 WeakPolarHBondContact CA-O 3.47Å; H1099-F1120 VanDerWaalsContact CB-O 3.26Å; H1099-F1120 WeakPolarHBondContact CB-O 3.49Å; A1100-F1120 HydrophobicContact CB-CD2 4.38Å; A1100-F1120 HydrophobicContact CB-CE1 4.18Å; A1100-F1120 HydrophobicContact CB-CE2 3.8Å; A1100-F1120 HydrophobicContact CB-CZ 3.69Å; A1100-F1120 PolarHBondContact N-O 3.21Å; A1100-F1120 PolarHBondContact O-N 3.12Å; A1100-F1120 VanDerWaalsContact O-N 3.1Å; F1120-F1122 HydrophobicContact CD2-CE1 4.32Å; F1120-F1122 AromaticContact CE2-CE1 3.93Å; F1120-F1122 HydrophobicContact CE2-CE1 3.93Å; F1120-V1136 HydrophobicContact CE2-CG2 4Å; F1120-V1136 HydrophobicContact CZ-CG2 4.08Å; F1120-I1147 HydrophobicContact CD2-CD1 4.31Å; F1120-I1147 HydrophobicContact CD2-CG2 4Å; F1120-I1147 HydrophobicContact CE2-CB 4.36Å; F1120-I1147 HydrophobicContact CE2-CG2 4.2Å
1121P88.9Confident84.1Confident78 Ų7870.7 Ų70.751%0.50636%0.364SS..EExtended strand (participates in β ladder)trans-70.2162.4174.433.2-35.5000110.8
1122F88.4Confident84.1Confident2 Ų267.3 Ų67.31%0.00934%0.344CS..  trans-100.1-11.7167.5-66.3-51.7000113.1F1096 T1098 H1099 A1100 F1120 T1124 V1126 I1129 A1138 I1147F1096-F1122 VanDerWaalsContact O-CE2 3.31Å; F1096-F1122 WeakPolarHBondContact O-CE2 3.36Å; T1098-F1122 PolarHBondContact O-N 2.92Å; H1099-F1122 VanDerWaalsContact N-CD2 3.28Å; A1100-F1122 HydrophobicContact CB-CE1 4.44Å; A1100-F1122 HydrophobicContact CB-CE2 4.32Å; A1100-F1122 HydrophobicContact CB-CZ 3.74Å; F1120-F1122 HydrophobicContact CD2-CE1 4.32Å; F1120-F1122 AromaticContact CE2-CE1 3.93Å; F1120-F1122 HydrophobicContact CE2-CE1 3.93Å; F1122-T1124 PolarHBondContact O-N 2.94Å; F1122-V1126 HydrophobicContact CB-CG2 3.53Å; F1122-V1126 HydrophobicContact CD1-CG2 4.14Å; F1122-V1126 HydrophobicContact CD2-CB 3.91Å; F1122-V1126 HydrophobicContact CD2-CG2 3.49Å; F1122-V1126 VanDerWaalsContact CD2-CG2 3.49Å; F1122-V1126 HydrophobicContact CE2-CB 4.26Å; F1122-V1126 HydrophobicContact CE2-CG1 4.47Å; F1122-V1126 HydrophobicContact CE2-CG2 4.19Å; F1122-V1126 HydrophobicContact CG-CB 4.39Å; F1122-V1126 HydrophobicContact CG-CG2 3.48Å; F1122-V1126 VanDerWaalsContact CG-CG2 3.48Å; F1122-I1129 HydrophobicContact CE2-CD1 3.92Å; F1122-I1129 HydrophobicContact CZ-CD1 3.56Å; F1122-I1129 HydrophobicContact CZ-CG1 4.5Å; F1122-A1138 HydrophobicContact CD1-CB 3.85Å; F1122-A1138 HydrophobicContact CE1-CB 3.71Å; F1122-A1138 HydrophobicContact CZ-CB 4.3Å; F1122-I1147 HydrophobicContact CD1-CD1 3.71Å; F1122-I1147 HydrophobicContact CE1-CD1 4.2Å
1123D84.7Confident84.3Confident129 Ų12970 Ų7069%0.6935%0.35SS*.SBendtrans61.1-34.7-170.5-48.8-34.3000115.1R1145D1123-R1145 IonicContact OD2-NH1 2.67Å; D1123-R1145 PolarHBondContact OD2-NH1 2.8Å
1124T86.3Confident84.7Confident54 Ų5460 Ų6033%0.33132%0.317SS..SBendtrans-101.6173.1169.4-171.10000111.9F1122 V1126 H1140F1122-T1124 PolarHBondContact O-N 2.94Å; T1124-V1126 HydrophobicContact CG2-CG2 4.36Å; T1124-H1140 HydrophobicContact CG2-CB 3.69Å
1125T92.4Very high85.4Confident82 Ų8255.3 Ų55.350%0.50329%0.292SS..  trans-88.6123.4173.2-57.40000109.6P1097 H1140P1097-T1125 HydrophobicContact CB-CG2 3.92Å; P1097-T1125 CarbonylContact O-C 3.55Å; P1097-T1125 WeakPolarHBondContact O-CA 3.42Å; T1125-H1140 WeakPolarHBondContact O-CB 3.32Å
1126V92.5Very high86.4Confident3 Ų352.8 Ų52.82%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-104.3127.6-172.91760000110.8I1082 P1097 F1122 T1124 I1129 A1138 F1139I1082-V1126 HydrophobicContact CD1-CB 4.09Å; I1082-V1126 HydrophobicContact CD1-CG1 3.9Å; I1082-V1126 WeakPolarHBondContact CD1-O 3.28Å; P1097-V1126 PolarHBondContact O-N 3.42Å; F1122-V1126 HydrophobicContact CB-CG2 3.53Å; F1122-V1126 HydrophobicContact CD1-CG2 4.14Å; F1122-V1126 HydrophobicContact CD2-CB 3.91Å; F1122-V1126 HydrophobicContact CD2-CG2 3.49Å; F1122-V1126 VanDerWaalsContact CD2-CG2 3.49Å; F1122-V1126 HydrophobicContact CE2-CB 4.26Å; F1122-V1126 HydrophobicContact CE2-CG1 4.47Å; F1122-V1126 HydrophobicContact CE2-CG2 4.19Å; F1122-V1126 HydrophobicContact CG-CB 4.39Å; F1122-V1126 HydrophobicContact CG-CG2 3.48Å; F1122-V1126 VanDerWaalsContact CG-CG2 3.48Å; T1124-V1126 HydrophobicContact CG2-CG2 4.36Å; V1126-I1129 HydrophobicContact CG1-CD1 3.99Å; V1126-I1129 HydrophobicContact CG1-CG1 3.76Å; V1126-A1138 HydrophobicContact CG1-CB 3.79Å; V1126-A1138 HydrophobicContact CG2-CB 3.91Å; V1126-F1139 CarbonylContact C-O 3.53Å; V1126-F1139 WeakPolarHBondContact CA-O 3.49Å; V1126-F1139 WeakPolarHBondContact CG1-O 3.22Å
1127D90Very high87.2Confident69 Ų6944.2 Ų44.237%0.36923%0.234SC..EExtended strand (participates in β ladder)trans-91.3-35-179-62.6-66.5000112.5I1082 F1139 T1141I1082-D1127 WeakPolarHBondContact CG2-O 3.44Å; D1127-F1139 PolarHBondContact N-O 3.37Å; D1127-T1141 PolarHBondContact OD2-N 3.22Å
1128S91.8Very high88Confident6 Ų640 Ų404%0.04221%0.212CC..EExtended strand (participates in β ladder)trans-155.3151.8-177.4680000113.8F1139 L1166S1128-F1139 PolarHBondContact N-O 2.74Å; S1128-F1139 WeakPolarHBondContact O-CB 3.27Å; S1128-F1139 PolarHBondContact O-N 2.9Å; S1128-L1166 VanDerWaalsContact OG-CB 3.28Å; S1128-L1166 WeakPolarHBondContact OG-CB 3.24Å
1129I91.9Very high88.6Confident0 Ų039 Ų390%020%0.203CC..EExtended strand (participates in β ladder)trans-130.8134.6-175.3-72.4158000112.4I1082 K1083 C1095 F1122 V1126 V1136 L1137 A1138I1082-I1129 HydrophobicContact CD1-CD1 3.91Å; K1083-I1129 PolarHBondContact NZ-O 3.35Å; K1083-I1129 VanDerWaalsContact NZ-O 3.08Å; C1095-I1129 HydrophobicContact CB-CD1 3.36Å; F1122-I1129 HydrophobicContact CE2-CD1 3.92Å; F1122-I1129 HydrophobicContact CZ-CD1 3.56Å; F1122-I1129 HydrophobicContact CZ-CG1 4.5Å; V1126-I1129 HydrophobicContact CG1-CD1 3.99Å; V1126-I1129 HydrophobicContact CG1-CG1 3.76Å; I1129-V1136 HydrophobicContact CG2-CB 4.01Å; I1129-V1136 HydrophobicContact CG2-CG1 3.99Å; I1129-L1137 WeakPolarHBondContact CA-O 3.29Å; I1129-A1138 HydrophobicContact CG1-CB 4.11Å
1130V90.7Very high88.9Confident11 Ų1134.3 Ų34.37%0.06718%0.182CC..EExtended strand (participates in β ladder)trans-106.5138.9166.2-175.10000108.4V1136 L1137 F1139 L1166 I1173V1130-V1136 CarbonylContact O-C 3.46Å; V1130-V1136 WeakPolarHBondContact O-CA 3.47Å; V1130-L1137 HydrophobicContact CB-CB 4.4Å; V1130-L1137 PolarHBondContact N-O 2.87Å; V1130-L1137 PolarHBondContact O-N 2.87Å; V1130-F1139 HydrophobicContact CB-CE2 4.5Å; V1130-F1139 HydrophobicContact CG2-CD2 4.48Å; V1130-F1139 HydrophobicContact CG2-CE2 3.84Å; V1130-L1166 HydrophobicContact CG2-CD1 4.15Å; V1130-L1166 HydrophobicContact CG2-CD2 3.78Å; V1130-I1173 HydrophobicContact CB-CD1 4.39Å; V1130-I1173 HydrophobicContact CG1-CD1 3.89Å; V1130-I1173 HydrophobicContact CG1-CG1 4.46Å; V1130-I1173 HydrophobicContact CG2-CD1 4.4Å
1131R88.7Confident89.2Confident91 Ų9136.5 Ų36.534%0.34320%0.197SC..EExtended strand (participates in β ladder)trans-106.6121.1177.9175.7-105.9161.4125.10.8109.5V1085 Q1086 L1087 H1133 V1136V1085-R1131 HydrophobicContact CG1-CB 3.78Å; V1085-R1131 HydrophobicContact CG1-CG 3.79Å; Q1086-R1131 PolarHBondContact O-NH1 2.9Å; L1087-R1131 HydrophobicContact CD2-CG 4.36Å; L1087-R1131 PolarHBondContact O-NH1 2.93Å; R1131-H1133 PolarHBondContact NH2-O 3.45Å; R1131-H1133 VanDerWaalsContact NH2-O 3.09Å; R1131-V1136 HydrophobicContact CB-CG1 4.31Å; R1131-V1136 HydrophobicContact CG-CG1 4.49Å
1132L85.4Confident89.4Confident9 Ų935.7 Ų35.75%0.04719%0.186CC..  trans-91-174.2171.9-57.3-174.1000109.5S1135 L1137 D1197L1132-S1135 PolarHBondContact N-O 2.95Å; L1132-L1137 HydrophobicContact CD1-CD1 4.16Å; L1132-L1137 HydrophobicContact CD1-CD2 3.95Å; L1132-L1137 HydrophobicContact CD1-CG 3.86Å; L1132-L1137 HydrophobicContact CD2-CD1 4.39Å; L1132-L1137 HydrophobicContact CG-CD1 4.49Å; L1132-L1137 HydrophobicContact CG-CG 4.16Å; L1132-D1197 VanDerWaalsContact CA-OD1 3.3Å; L1132-D1197 WeakPolarHBondContact CA-OD1 3.42Å; L1132-D1197 VanDerWaalsContact CB-OD1 3.32Å; L1132-D1197 WeakPolarHBondContact CB-OD1 3.4Å
1133H78.1Confident89.5Confident105 Ų10535.6 Ų35.649%0.48619%0.186SC..SBendtrans-56.4-55.3179-167115.2000112.5R1131 D1197 S1199R1131-H1133 PolarHBondContact NH2-O 3.45Å; R1131-H1133 VanDerWaalsContact NH2-O 3.09Å; H1133-D1197 PolarHBondContact N-OD1 3.32Å; H1133-S1199 WeakPolarHBondContact ND1-CB 3.42Å; H1133-S1199 PolarHBondContact ND1-OG 2.66Å; H1133-S1199 VanDerWaalsContact ND1-OG 3.13Å
1134D80.6Confident89.9Confident55 Ų5529.5 Ų29.529%0.29415%0.153SC..SBendtrans-114.3-2.9-167.165.9-11.9000114.4F1149 S1198D1134-F1149 VanDerWaalsContact C-CD2 3.42Å; D1134-F1149 WeakPolarHBondContact O-CD2 3.3Å; D1134-F1149 WeakPolarHBondContact O-CE2 3.31Å; D1134-F1149 WeakPolarHBondContact O-CG 3.13Å; D1134-F1149 PolarHBondContact O-N 3.02Å; D1134-S1198 VanDerWaalsContact OD2-CB 3.24Å; D1134-S1198 WeakPolarHBondContact OD2-CB 3.5Å; D1134-S1198 PolarHBondContact OD2-OG 2.7Å; D1134-S1198 VanDerWaalsContact OD2-OG 3.06Å
1135S87.3Confident90.1Very high4 Ų429.1 Ų29.13%0.02815%0.146CC..EExtended strand (participates in β ladder)trans-154.3172.8-164.552.60000112.4L1132 I1147L1132-S1135 PolarHBondContact N-O 2.95Å; S1135-I1147 CarbonylContact C-O 3.56Å; S1135-I1147 VanDerWaalsContact CA-O 3.29Å; S1135-I1147 WeakPolarHBondContact CA-O 3.27Å; S1135-I1147 VanDerWaalsContact CB-O 3.27Å; S1135-I1147 WeakPolarHBondContact CB-O 3.31Å
1136V90.1Very high89.9Confident0 Ų025.2 Ų25.20%012%0.122CC..EExtended strand (participates in β ladder)trans-126.8140.7173-74.50000110.7L1093 F1120 I1129 V1130 R1131 G1146 I1147 F1149L1093-V1136 HydrophobicContact CD2-CG1 3.74Å; F1120-V1136 HydrophobicContact CE2-CG2 4Å; F1120-V1136 HydrophobicContact CZ-CG2 4.08Å; I1129-V1136 HydrophobicContact CG2-CB 4.01Å; I1129-V1136 HydrophobicContact CG2-CG1 3.99Å; V1130-V1136 CarbonylContact O-C 3.46Å; V1130-V1136 WeakPolarHBondContact O-CA 3.47Å; R1131-V1136 HydrophobicContact CB-CG1 4.31Å; R1131-V1136 HydrophobicContact CG-CG1 4.49Å; V1136-G1146 CarbonylContact O-C 3.59Å; V1136-G1146 WeakPolarHBondContact O-CA 3.22Å; V1136-I1147 HydrophobicContact CG2-CB 4.5Å; V1136-I1147 PolarHBondContact N-O 3.31Å; V1136-I1147 PolarHBondContact O-N 2.82Å; V1136-F1149 HydrophobicContact CG1-CE1 4.15Å
1137L92Very high89.7Confident0 Ų025.3 Ų25.30%012%0.122CC..EExtended strand (participates in β ladder)trans-97.4114.5166.2-55.2-178.6000108.1I1129 V1130 L1132 F1139 L1144 I1173 L1192 H1195I1129-L1137 WeakPolarHBondContact CA-O 3.29Å; V1130-L1137 HydrophobicContact CB-CB 4.4Å; V1130-L1137 PolarHBondContact N-O 2.87Å; V1130-L1137 PolarHBondContact O-N 2.87Å; L1132-L1137 HydrophobicContact CD1-CD1 4.16Å; L1132-L1137 HydrophobicContact CD1-CD2 3.95Å; L1132-L1137 HydrophobicContact CD1-CG 3.86Å; L1132-L1137 HydrophobicContact CD2-CD1 4.39Å; L1132-L1137 HydrophobicContact CG-CD1 4.49Å; L1132-L1137 HydrophobicContact CG-CG 4.16Å; L1137-F1139 HydrophobicContact CB-CE2 3.94Å; L1137-L1144 HydrophobicContact CD2-CD1 4.17Å; L1137-I1173 HydrophobicContact CD1-CD1 3.71Å; L1137-L1192 HydrophobicContact CD1-CD2 3.61Å; L1137-H1195 HydrophobicContact CD1-CB 4.21Å
1138A92.8Very high89.5Confident0 Ų022.5 Ų22.50%011%0.107CC..EExtended strand (participates in β ladder)trans-103.5106-178.100000109.7F1122 V1126 I1129 L1144 R1145F1122-A1138 HydrophobicContact CD1-CB 3.85Å; F1122-A1138 HydrophobicContact CE1-CB 3.71Å; F1122-A1138 HydrophobicContact CZ-CB 4.3Å; V1126-A1138 HydrophobicContact CG1-CB 3.79Å; V1126-A1138 HydrophobicContact CG2-CB 3.91Å; I1129-A1138 HydrophobicContact CG1-CB 4.11Å; A1138-L1144 CarbonylContact O-C 3.54Å; A1138-L1144 WeakPolarHBondContact O-CA 3.32Å; A1138-R1145 WeakPolarHBondContact CB-O 3.5Å; A1138-R1145 PolarHBondContact N-O 3.2Å; A1138-R1145 PolarHBondContact O-N 2.83Å
1139F94.3Very high89.1Confident4 Ų424.5 Ų24.52%0.01812%0.115CC..EExtended strand (participates in β ladder)trans-84.3127.9-179-69.6-97.8000110.7F862 V1126 D1127 S1128 V1130 L1137 G1143 L1144 L1166 I1173 V1175 L1192F862-F1139 HydrophobicContact CE1-CE1 4.29Å; F862-F1139 HydrophobicContact CZ-CE1 4.45Å; V1126-F1139 CarbonylContact C-O 3.53Å; V1126-F1139 WeakPolarHBondContact CA-O 3.49Å; V1126-F1139 WeakPolarHBondContact CG1-O 3.22Å; D1127-F1139 PolarHBondContact N-O 3.37Å; S1128-F1139 PolarHBondContact N-O 2.74Å; S1128-F1139 WeakPolarHBondContact O-CB 3.27Å; S1128-F1139 PolarHBondContact O-N 2.9Å; V1130-F1139 HydrophobicContact CB-CE2 4.5Å; V1130-F1139 HydrophobicContact CG2-CD2 4.48Å; V1130-F1139 HydrophobicContact CG2-CE2 3.84Å; L1137-F1139 HydrophobicContact CB-CE2 3.94Å; F1139-G1143 WeakPolarHBondContact CA-O 3.4Å; F1139-L1144 HydrophobicContact CD1-CB 3.74Å; F1139-L1144 HydrophobicContact CD1-CD2 4.2Å; F1139-L1144 HydrophobicContact CD2-CB 4.49Å; F1139-L1144 HydrophobicContact CE1-CB 3.86Å; F1139-L1144 HydrophobicContact CE1-CD2 3.44Å; F1139-L1144 VanDerWaalsContact CE1-CD2 3.44Å; F1139-L1144 HydrophobicContact CE1-CG 4.31Å; F1139-L1144 HydrophobicContact CG-CB 4.07Å; F1139-L1144 HydrophobicContact CZ-CB 4.27Å; F1139-L1144 HydrophobicContact CZ-CD2 3.63Å; F1139-L1166 HydrophobicContact CE2-CD1 4.17Å; F1139-L1166 HydrophobicContact CZ-CD1 4.19Å; F1139-I1173 HydrophobicContact CE2-CG2 4.45Å; F1139-I1173 HydrophobicContact CZ-CG2 3.77Å; F1139-V1175 HydrophobicContact CD1-CG2 4.48Å; F1139-V1175 HydrophobicContact CE1-CG2 3.76Å; F1139-V1175 HydrophobicContact CZ-CG2 4.38Å; F1139-L1192 HydrophobicContact CZ-CD2 4.42Å
1140H93.4Very high88.5Confident7 Ų732.7 Ų32.73%0.03215%0.151CC..EExtended strand (participates in β ladder)trans-116.3168173.647102.4000109.3T1124 T1125 H1142 G1143 L1144 I1157 D1158T1124-H1140 HydrophobicContact CG2-CB 3.69Å; T1125-H1140 WeakPolarHBondContact O-CB 3.32Å; H1140-H1142 PolarHBondContact O-N 3.28Å; H1140-G1143 PolarHBondContact N-O 2.92Å; H1140-G1143 VanDerWaalsContact N-O 3.09Å; H1140-G1143 PolarHBondContact ND1-N 2.86Å; H1140-G1143 PolarHBondContact O-N 2.85Å; H1140-L1144 VanDerWaalsContact NE2-CA 3.34Å; H1140-L1144 WeakPolarHBondContact NE2-CA 3.41Å; H1140-L1144 PolarHBondContact NE2-N 2.87Å; H1140-L1144 VanDerWaalsContact NE2-N 3.19Å; H1140-I1157 PolarHBondContact CE1-O 2.76Å; H1140-D1158 IonicContact CE1-OD1 2.6Å; H1140-D1158 PolarHBondContact CE1-OD1 2.84Å; H1140-D1158 IonicContact ND1-OD1 2.68Å
1141T92.9Very high88Confident58 Ų5833.9 Ų33.936%0.35617%0.165SC..THydrogen-bonded Turntrans-44.6-39.6-178.6-460000114D1127 V1163 Y1164D1127-T1141 PolarHBondContact OD2-N 3.22Å; T1141-V1163 HydrophobicContact CG2-CG1 3.91Å; T1141-V1163 HydrophobicContact CG2-CG2 4.16Å; T1141-V1163 CarbonylContact O-C 3.57Å; T1141-V1163 VanDerWaalsContact O-CA 3.27Å; T1141-V1163 WeakPolarHBondContact O-CA 3.35Å; T1141-Y1164 PolarHBondContact O-N 3.06Å
1142H93.2Very high87.8Confident61 Ų6137 Ų3728%0.28218%0.177SC..THydrogen-bonded Turntrans-105.110.8-175.3-64-59.7000115H1140 D1158 D1159 H1162 Y1164H1140-H1142 PolarHBondContact O-N 3.28Å; H1142-D1158 VanDerWaalsContact CB-OD1 3.27Å; H1142-D1158 WeakPolarHBondContact CB-OD1 3.34Å; H1142-D1159 PolarHBondContact O-N 2.91Å; H1142-H1162 PolarHBondContact ND1-O 2.89Å; H1142-Y1164 VanDerWaalsContact C-CD2 3.47Å; H1142-Y1164 WeakPolarHBondContact O-CE2 3.27Å
1143G91.4Very high87.8Confident0 Ų040 Ų400%020%0.196CC..EExtended strand (participates in β ladder)trans155.7-130172.500000114.9F1139 H1140 I1157F1139-G1143 WeakPolarHBondContact CA-O 3.4Å; H1140-G1143 PolarHBondContact N-O 2.92Å; H1140-G1143 VanDerWaalsContact N-O 3.09Å; H1140-G1143 PolarHBondContact ND1-N 2.86Å; H1140-G1143 PolarHBondContact O-N 2.85Å; G1143-I1157 CarbonylContact C-O 3.58Å; G1143-I1157 VanDerWaalsContact CA-O 3.32Å; G1143-I1157 WeakPolarHBondContact CA-O 3.36Å
1144L92.1Very high88.1Confident0 Ų038.5 Ų38.50%019%0.194CC..EExtended strand (participates in β ladder)trans-152.1150.1176.775.491.4000113.3F862 L1137 A1138 F1139 H1140 D1156 I1157 L1192F862-L1144 HydrophobicContact CE1-CD2 3.99Å; F862-L1144 HydrophobicContact CZ-CD2 3.86Å; L1137-L1144 HydrophobicContact CD2-CD1 4.17Å; A1138-L1144 CarbonylContact O-C 3.54Å; A1138-L1144 WeakPolarHBondContact O-CA 3.32Å; F1139-L1144 HydrophobicContact CD1-CB 3.74Å; F1139-L1144 HydrophobicContact CD1-CD2 4.2Å; F1139-L1144 HydrophobicContact CD2-CB 4.49Å; F1139-L1144 HydrophobicContact CE1-CB 3.86Å; F1139-L1144 HydrophobicContact CE1-CD2 3.44Å; F1139-L1144 VanDerWaalsContact CE1-CD2 3.44Å; F1139-L1144 HydrophobicContact CE1-CG 4.31Å; F1139-L1144 HydrophobicContact CG-CB 4.07Å; F1139-L1144 HydrophobicContact CZ-CB 4.27Å; F1139-L1144 HydrophobicContact CZ-CD2 3.63Å; H1140-L1144 VanDerWaalsContact NE2-CA 3.34Å; H1140-L1144 WeakPolarHBondContact NE2-CA 3.41Å; H1140-L1144 PolarHBondContact NE2-N 2.87Å; H1140-L1144 VanDerWaalsContact NE2-N 3.19Å; L1144-D1156 CarbonylContact O-C 3.6Å; L1144-I1157 HydrophobicContact CD2-CD1 4.05Å; L1144-I1157 HydrophobicContact CG-CB 4.39Å; L1144-I1157 HydrophobicContact CG-CD1 4.07Å; L1144-I1157 HydrophobicContact CG-CG1 4.27Å; L1144-I1157 PolarHBondContact N-O 2.8Å; L1144-I1157 PolarHBondContact O-N 3.37Å; L1144-L1192 HydrophobicContact CD2-CD1 3.66Å; L1144-L1192 HydrophobicContact CD2-CD2 3.55Å; L1144-L1192 HydrophobicContact CD2-CG 4.22Å
1145R89.8Confident88.2Confident47 Ų4737.4 Ų37.418%0.17719%0.187CC..EExtended strand (participates in β ladder)trans-119.4120.8169.8-176.6166.8-78.7-167.2-7.7110.9D1123 A1138 I1147 V1153 D1156D1123-R1145 IonicContact OD2-NH1 2.67Å; D1123-R1145 PolarHBondContact OD2-NH1 2.8Å; A1138-R1145 WeakPolarHBondContact CB-O 3.5Å; A1138-R1145 PolarHBondContact N-O 3.2Å; A1138-R1145 PolarHBondContact O-N 2.83Å; R1145-I1147 HydrophobicContact CG-CD1 4.05Å; R1145-I1147 HydrophobicContact CG-CG1 3.78Å; R1145-V1153 HydrophobicContact CG-CG1 4.06Å; R1145-V1153 HydrophobicContact CG-CG2 4.22Å; R1145-D1156 VanDerWaalsContact CB-OD1 3.27Å; R1145-D1156 WeakPolarHBondContact CB-OD1 3.36Å; R1145-D1156 VanDerWaalsContact CG-OD1 3.25Å; R1145-D1156 WeakPolarHBondContact CG-OD1 3.21Å; R1145-D1156 IonicContact CZ-OD1 2.72Å; R1145-D1156 IonicContact CZ-OD2 2.71Å; R1145-D1156 IonicContact NE-OD1 3.45Å; R1145-D1156 PolarHBondContact NE-OD1 2.82Å; R1145-D1156 IonicContact NE-OD2 2.93Å; R1145-D1156 PolarHBondContact NE-OD2 2.77Å; R1145-D1156 IonicContact NH2-OD1 2.76Å; R1145-D1156 IonicContact NH2-OD2 3.53Å; R1145-D1156 PolarHBondContact NH2-OD2 2.76Å
1146G88.8Confident88.2Confident0 Ų041 Ų410%021%0.207CC..EExtended strand (participates in β ladder)trans-84.2128.6169.500000110.7V1136 V1153 T1154 Q1155V1136-G1146 CarbonylContact O-C 3.59Å; V1136-G1146 WeakPolarHBondContact O-CA 3.22Å; G1146-V1153 CarbonylContact O-C 3.51Å; G1146-V1153 VanDerWaalsContact O-CA 3.29Å; G1146-V1153 WeakPolarHBondContact O-CA 3.33Å; G1146-T1154 VanDerWaalsContact C-OG1 3.29Å; G1146-T1154 PolarHBondContact O-N 2.67Å; G1146-T1154 PolarHBondContact O-OG1 2.67Å; G1146-Q1155 PolarHBondContact N-O 2.81Å; G1146-Q1155 PolarHBondContact O-N 2.68Å
1147I87.8Confident88.1Confident4 Ų442.5 Ų42.52%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-135.4131.6-179.9-45.8-174.6000110F1120 F1122 S1135 V1136 R1145 R1152F1120-I1147 HydrophobicContact CD2-CD1 4.31Å; F1120-I1147 HydrophobicContact CD2-CG2 4Å; F1120-I1147 HydrophobicContact CE2-CB 4.36Å; F1120-I1147 HydrophobicContact CE2-CG2 4.2Å; F1122-I1147 HydrophobicContact CD1-CD1 3.71Å; F1122-I1147 HydrophobicContact CE1-CD1 4.2Å; S1135-I1147 CarbonylContact C-O 3.56Å; S1135-I1147 VanDerWaalsContact CA-O 3.29Å; S1135-I1147 WeakPolarHBondContact CA-O 3.27Å; S1135-I1147 VanDerWaalsContact CB-O 3.27Å; S1135-I1147 WeakPolarHBondContact CB-O 3.31Å; V1136-I1147 HydrophobicContact CG2-CB 4.5Å; V1136-I1147 PolarHBondContact N-O 3.31Å; V1136-I1147 PolarHBondContact O-N 2.82Å; R1145-I1147 HydrophobicContact CG-CD1 4.05Å; R1145-I1147 HydrophobicContact CG-CG1 3.78Å; I1147-R1152 WeakPolarHBondContact CA-O 3.48Å
1148D86.6Confident88Confident10 Ų1048 Ų485%0.05324%0.243CC..EExtended strand (participates in β ladder)trans-76.3166.4173.477.46.7000113.2F1150 G1151 R1152 T1154D1148-F1150 PolarHBondContact O-N 3.07Å; D1148-F1150 VanDerWaalsContact OD1-C 3.32Å; D1148-F1150 VanDerWaalsContact OD1-CA 3.28Å; D1148-F1150 WeakPolarHBondContact OD1-CA 3.4Å; D1148-F1150 WeakPolarHBondContact OD1-CB 3.35Å; D1148-F1150 PolarHBondContact OD1-N 3.19Å; D1148-G1151 PolarHBondContact O-N 3.2Å; D1148-G1151 PolarHBondContact OD1-N 2.9Å; D1148-G1151 VanDerWaalsContact OD1-N 3.07Å; D1148-R1152 PolarHBondContact N-O 2.54Å; D1148-R1152 WeakPolarHBondContact OD1-CB 3.45Å; D1148-R1152 PolarHBondContact OD1-N 2.82Å; D1148-R1152 IonicContact OD1-NE 3.13Å; D1148-R1152 IonicContact OD2-CZ 3.58Å; D1148-R1152 IonicContact OD2-NE 3.71Å; D1148-R1152 PolarHBondContact OD2-NE 2.87Å; D1148-R1152 IonicContact OD2-NH2 2.7Å; D1148-R1152 PolarHBondContact OD2-NH2 2.8Å; D1148-T1154 HydrophobicContact CB-CG2 3.99Å
1149F83.1Confident87.9Confident48 Ų4848.6 Ų48.621%0.21125%0.247CC..THydrogen-bonded Turntrans-68.13.4177.1-56.8-46.4000114.8L1087 M1102 D1134 V1136L1087-F1149 HydrophobicContact CD1-CE1 4.39Å; L1087-F1149 HydrophobicContact CD2-CE1 3.71Å; L1087-F1149 HydrophobicContact CD2-CE2 4.34Å; L1087-F1149 HydrophobicContact CD2-CZ 3.57Å; M1102-F1149 HydrophobicContact SD-CB 4.39Å; D1134-F1149 VanDerWaalsContact C-CD2 3.42Å; D1134-F1149 WeakPolarHBondContact O-CD2 3.3Å; D1134-F1149 WeakPolarHBondContact O-CE2 3.31Å; D1134-F1149 WeakPolarHBondContact O-CG 3.13Å; D1134-F1149 PolarHBondContact O-N 3.02Å; V1136-F1149 HydrophobicContact CG1-CE1 4.15Å
1150F80.4Confident87.7Confident172 Ų17253.8 Ų53.875%0.75427%0.274SS*.THydrogen-bonded Turntrans-100.71.4169.3-54.2-81.6000112.5D1148D1148-F1150 PolarHBondContact O-N 3.07Å; D1148-F1150 VanDerWaalsContact OD1-C 3.32Å; D1148-F1150 VanDerWaalsContact OD1-CA 3.28Å; D1148-F1150 WeakPolarHBondContact OD1-CA 3.4Å; D1148-F1150 WeakPolarHBondContact OD1-CB 3.35Å; D1148-F1150 PolarHBondContact OD1-N 3.19Å
1151G79.7Confident87.6Confident36 Ų3658.2 Ų58.237%0.37129%0.294SS..SBendtrans8116.4-179.600000114.3D1148D1148-G1151 PolarHBondContact O-N 3.2Å; D1148-G1151 PolarHBondContact OD1-N 2.9Å; D1148-G1151 VanDerWaalsContact OD1-N 3.07Å
1152R83.9Confident87.5Confident156 Ų15657.3 Ų57.359%0.58929%0.285SS*.  trans-93.2130.5177.9-57.1177.7-64.7-176.13.4109.7I1147 D1148 T1154I1147-R1152 WeakPolarHBondContact CA-O 3.48Å; D1148-R1152 PolarHBondContact N-O 2.54Å; D1148-R1152 WeakPolarHBondContact OD1-CB 3.45Å; D1148-R1152 PolarHBondContact OD1-N 2.82Å; D1148-R1152 IonicContact OD1-NE 3.13Å; D1148-R1152 IonicContact OD2-CZ 3.58Å; D1148-R1152 IonicContact OD2-NE 3.71Å; D1148-R1152 PolarHBondContact OD2-NE 2.87Å; D1148-R1152 IonicContact OD2-NH2 2.7Å; D1148-R1152 PolarHBondContact OD2-NH2 2.8Å; R1152-T1154 PolarHBondContact O-N 3.14Å
1153V85.6Confident87.5Confident74 Ų7456.6 Ų56.645%0.44829%0.285SS..EExtended strand (participates in β ladder)trans-66123.8173.1-179.40000109.2R1145 G1146 Q1155 D1156R1145-V1153 HydrophobicContact CG-CG1 4.06Å; R1145-V1153 HydrophobicContact CG-CG2 4.22Å; G1146-V1153 CarbonylContact O-C 3.51Å; G1146-V1153 VanDerWaalsContact O-CA 3.29Å; G1146-V1153 WeakPolarHBondContact O-CA 3.33Å; V1153-Q1155 WeakPolarHBondContact CG1-O 3.48Å; V1153-D1156 HydrophobicContact CG1-CB 4.25Å
1154T83.5Confident87.6Confident73 Ų7357.3 Ų57.345%0.44829%0.288SS..EExtended strand (participates in β ladder)trans-100.4-32178.956.80000112.1G1146 D1148 R1152G1146-T1154 VanDerWaalsContact C-OG1 3.29Å; G1146-T1154 PolarHBondContact O-N 2.67Å; G1146-T1154 PolarHBondContact O-OG1 2.67Å; D1148-T1154 HydrophobicContact CB-CG2 3.99Å; R1152-T1154 PolarHBondContact O-N 3.14Å
1155Q83.4Confident87.6Confident31 Ų3161.1 Ų61.115%0.14530%0.302CS..EExtended strand (participates in β ladder)trans-148149.8179.5-60.5-169.6-30.400108.7G1146 V1153 G1194G1146-Q1155 PolarHBondContact N-O 2.81Å; G1146-Q1155 PolarHBondContact O-N 2.68Å; V1153-Q1155 WeakPolarHBondContact CG1-O 3.48Å; Q1155-G1194 PolarHBondContact NE2-O 3.24Å; Q1155-G1194 VanDerWaalsContact NE2-O 3.12Å
1156D87.3Confident87.7Confident81 Ų8159 Ų5943%0.43330%0.295SS..EExtended strand (participates in β ladder)trans-146.5134.8175.5-139.121.1000108.5L1144 R1145 V1153L1144-D1156 CarbonylContact O-C 3.6Å; R1145-D1156 VanDerWaalsContact CB-OD1 3.27Å; R1145-D1156 WeakPolarHBondContact CB-OD1 3.36Å; R1145-D1156 VanDerWaalsContact CG-OD1 3.25Å; R1145-D1156 WeakPolarHBondContact CG-OD1 3.21Å; R1145-D1156 IonicContact CZ-OD1 2.72Å; R1145-D1156 IonicContact CZ-OD2 2.71Å; R1145-D1156 IonicContact NE-OD1 3.45Å; R1145-D1156 PolarHBondContact NE-OD1 2.82Å; R1145-D1156 IonicContact NE-OD2 2.93Å; R1145-D1156 PolarHBondContact NE-OD2 2.77Å; R1145-D1156 IonicContact NH2-OD1 2.76Å; R1145-D1156 IonicContact NH2-OD2 3.53Å; R1145-D1156 PolarHBondContact NH2-OD2 2.76Å; V1153-D1156 HydrophobicContact CG1-CB 4.25Å
1157I88Confident87.9Confident30 Ų3059 Ų5915%0.15430%0.295CS..EExtended strand (participates in β ladder)trans-138.6116.2174.3-50.9178.9000106.2A860 F862 H1140 G1143 L1144 L1192A860-I1157 WeakPolarHBondContact O-CD1 3.4Å; F862-I1157 HydrophobicContact CD2-CG2 4.27Å; F862-I1157 HydrophobicContact CE2-CD1 4.24Å; F862-I1157 HydrophobicContact CE2-CG2 3.83Å; F862-I1157 HydrophobicContact CZ-CD1 4.38Å; H1140-I1157 PolarHBondContact CE1-O 2.76Å; G1143-I1157 CarbonylContact C-O 3.58Å; G1143-I1157 VanDerWaalsContact CA-O 3.32Å; G1143-I1157 WeakPolarHBondContact CA-O 3.36Å; L1144-I1157 HydrophobicContact CD2-CD1 4.05Å; L1144-I1157 HydrophobicContact CG-CB 4.39Å; L1144-I1157 HydrophobicContact CG-CD1 4.07Å; L1144-I1157 HydrophobicContact CG-CG1 4.27Å; L1144-I1157 PolarHBondContact N-O 2.8Å; L1144-I1157 PolarHBondContact O-N 3.37Å; I1157-L1192 HydrophobicContact CD1-CD1 3.93Å
1158D89.9Confident88Confident116 Ų11659.1 Ų59.162%0.6230%0.296SS*.EExtended strand (participates in β ladder)trans-135.4121.4176.3-152.622000107.5H1140 H1142H1140-D1158 IonicContact CE1-OD1 2.6Å; H1140-D1158 PolarHBondContact CE1-OD1 2.84Å; H1140-D1158 IonicContact ND1-OD1 2.68Å; H1142-D1158 VanDerWaalsContact CB-OD1 3.27Å; H1142-D1158 WeakPolarHBondContact CB-OD1 3.34Å
1159D90.5Very high88Confident13 Ų1359.8 Ų59.87%0.0730%0.302CS..  trans-138.497.5-178.9171.31.2000107.4H1142 K1161 H1162 Y1164H1142-D1159 PolarHBondContact O-N 2.91Å; D1159-K1161 PolarHBondContact O-N 3.48Å; D1159-K1161 VanDerWaalsContact OD1-CB 3.29Å; D1159-K1161 WeakPolarHBondContact OD1-CB 3.44Å; D1159-K1161 PolarHBondContact OD1-N 3.3Å; D1159-K1161 VanDerWaalsContact OD1-N 3.07Å; D1159-H1162 PolarHBondContact O-N 3.01Å; D1159-H1162 IonicContact OD1-ND1 3.61Å; D1159-H1162 IonicContact OD2-CE1 3.04Å; D1159-H1162 IonicContact OD2-CG 2.76Å; D1159-H1162 IonicContact OD2-ND1 2.7Å; D1159-H1162 PolarHBondContact OD2-ND1 3.11Å; D1159-Y1164 HydrophobicContact CB-CE2 4.07Å; D1159-Y1164 PolarHBondContact OD2-OH 3.41Å; D1159-Y1164 VanDerWaalsContact OD2-OH 3.06Å
1160D91Very high87.8Confident112 Ų11260.8 Ų60.860%0.59931%0.31SS*.THydrogen-bonded Turntrans-66.7-16-175.572.9-22.2000113.2H1162 S1180D1160-H1162 VanDerWaalsContact C-N 3.27Å; D1160-H1162 PolarHBondContact O-N 2.95Å; D1160-S1180 WeakPolarHBondContact O-CB 3.22Å; D1160-S1180 PolarHBondContact O-OG 3.14Å
1161K90.5Very high87.9Confident101 Ų10160.8 Ų60.844%0.43931%0.305SS..THydrogen-bonded Turntrans-79.4-12.3178.9-48.9177.8-170.8166.90112E755 D1159 P1179 S1180E755-K1161 IonicContact OE1-NZ 3.23Å; E755-K1161 PolarHBondContact OE1-NZ 2.8Å; E755-K1161 WeakPolarHBondContact OE2-CE 3.31Å; E755-K1161 IonicContact OE2-NZ 2.85Å; E755-K1161 PolarHBondContact OE2-NZ 3.35Å; D1159-K1161 PolarHBondContact O-N 3.48Å; D1159-K1161 VanDerWaalsContact OD1-CB 3.29Å; D1159-K1161 WeakPolarHBondContact OD1-CB 3.44Å; D1159-K1161 PolarHBondContact OD1-N 3.3Å; D1159-K1161 VanDerWaalsContact OD1-N 3.07Å; K1161-P1179 CarbonylContact O-C 3.6Å; K1161-P1179 WeakPolarHBondContact O-CA 3.29Å; K1161-S1180 VanDerWaalsContact C-OG 3.28Å; K1161-S1180 PolarHBondContact O-N 2.99Å; K1161-S1180 PolarHBondContact O-OG 2.82Å
1162H91.1Very high88.1Confident38 Ų3860.7 Ų60.718%0.17630%0.295CS..EExtended strand (participates in β ladder)trans-127.8147.3177.2-65101000113.6H1142 D1159 D1160 Y1164 R1178 S1180H1142-H1162 PolarHBondContact ND1-O 2.89Å; D1159-H1162 PolarHBondContact O-N 3.01Å; D1159-H1162 IonicContact OD1-ND1 3.61Å; D1159-H1162 IonicContact OD2-CE1 3.04Å; D1159-H1162 IonicContact OD2-CG 2.76Å; D1159-H1162 IonicContact OD2-ND1 2.7Å; D1159-H1162 PolarHBondContact OD2-ND1 3.11Å; D1160-H1162 VanDerWaalsContact C-N 3.27Å; D1160-H1162 PolarHBondContact O-N 2.95Å; H1162-Y1164 HydrophobicContact CB-CD2 4.19Å; H1162-Y1164 HydrophobicContact CB-CE2 3.51Å; H1162-R1178 CarbonylContact C-O 3.46Å; H1162-R1178 VanDerWaalsContact CA-O 3.22Å; H1162-R1178 WeakPolarHBondContact CA-O 3.45Å; H1162-S1180 VanDerWaalsContact C-OG 3.28Å; H1162-S1180 PolarHBondContact N-OG 2.86Å
1163V92.2Very high88.4Confident46 Ų4653.5 Ų53.528%0.27927%0.269SS..EExtended strand (participates in β ladder)trans-102.6118.9166.91760000109T1141 S1177 R1178T1141-V1163 HydrophobicContact CG2-CG1 3.91Å; T1141-V1163 HydrophobicContact CG2-CG2 4.16Å; T1141-V1163 CarbonylContact O-C 3.57Å; T1141-V1163 VanDerWaalsContact O-CA 3.27Å; T1141-V1163 WeakPolarHBondContact O-CA 3.35Å; V1163-S1177 CarbonylContact O-C 3.57Å; V1163-S1177 VanDerWaalsContact O-CA 3.26Å; V1163-S1177 WeakPolarHBondContact O-CA 3.27Å; V1163-R1178 PolarHBondContact N-O 2.9Å; V1163-R1178 PolarHBondContact O-N 3.07Å
1164Y93.4Very high88.8Confident16 Ų1650 Ų506%0.06325%0.247CC..EExtended strand (participates in β ladder)trans-102.1147.1-178.6-64-90.9000112.4F862 T1141 H1142 D1159 H1162 V1175 E1176 L1190F862-Y1164 HydrophobicContact CD2-CD1 4.02Å; F862-Y1164 AromaticContact CD2-CE1 3.37Å; F862-Y1164 HydrophobicContact CD2-CE1 3.37Å; F862-Y1164 AromaticContact CD2-CZ 3.85Å; F862-Y1164 AromaticContact CE2-CD1 3.64Å; F862-Y1164 HydrophobicContact CE2-CD1 3.64Å; F862-Y1164 AromaticContact CE2-CE1 3.39Å; F862-Y1164 HydrophobicContact CE2-CE1 3.39Å; F862-Y1164 HydrophobicContact CE2-CE2 4.36Å; F862-Y1164 HydrophobicContact CE2-CG 4.24Å; F862-Y1164 AromaticContact CE2-CZ 3.78Å; F862-Y1164 HydrophobicContact CG-CE1 4.14Å; F862-Y1164 AromaticContact CZ-CD1 3.97Å; F862-Y1164 HydrophobicContact CZ-CD1 3.97Å; F862-Y1164 HydrophobicContact CZ-CE1 4.17Å; F862-Y1164 HydrophobicContact CZ-CG 4.48Å; T1141-Y1164 PolarHBondContact O-N 3.06Å; H1142-Y1164 VanDerWaalsContact C-CD2 3.47Å; H1142-Y1164 WeakPolarHBondContact O-CE2 3.27Å; D1159-Y1164 HydrophobicContact CB-CE2 4.07Å; D1159-Y1164 PolarHBondContact OD2-OH 3.41Å; D1159-Y1164 VanDerWaalsContact OD2-OH 3.06Å; H1162-Y1164 HydrophobicContact CB-CD2 4.19Å; H1162-Y1164 HydrophobicContact CB-CE2 3.51Å; Y1164-V1175 HydrophobicContact CD1-CG1 3.95Å; Y1164-E1176 CarbonylContact C-O 3.56Å; Y1164-E1176 WeakPolarHBondContact CA-O 3.25Å; Y1164-L1190 HydrophobicContact CD1-CD1 3.84Å; Y1164-L1190 HydrophobicContact CE1-CD1 3.61Å
1165R92.1Very high89.2Confident79 Ų7946.5 Ų46.530%0.29823%0.226SC..EExtended strand (participates in β ladder)trans-145.3127.4172.4-175.3178.765.992.7-6.6112.2V873 L1167 V1175 E1176V873-R1165 PolarHBondContact O-NH2 3.29Å; R1165-L1167 PolarHBondContact O-N 3.41Å; R1165-V1175 CarbonylContact O-C 3.6Å; R1165-V1175 WeakPolarHBondContact O-CA 3.29Å; R1165-E1176 HydrophobicContact CB-CG 3.93Å; R1165-E1176 IonicContact CZ-OE1 2.89Å; R1165-E1176 PolarHBondContact N-O 2.94Å; R1165-E1176 IonicContact NE-OE1 3.96Å; R1165-E1176 PolarHBondContact NE-OE1 2.99Å; R1165-E1176 IonicContact NH2-OE1 3.85Å; R1165-E1176 PolarHBondContact NH2-OE1 2.94Å; R1165-E1176 IonicContact NH2-OE2 3.22Å; R1165-E1176 PolarHBondContact O-N 3.1Å
1166L93.7Very high89.7Confident4 Ų445.2 Ų45.22%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-60.6130.7173.2-174.568.4000111.4S380 S1128 V1130 F1139 I1173 V1175S380-L1166 PolarHBondContact OG-O 3.05Å; S1128-L1166 VanDerWaalsContact OG-CB 3.28Å; S1128-L1166 WeakPolarHBondContact OG-CB 3.24Å; V1130-L1166 HydrophobicContact CG2-CD1 4.15Å; V1130-L1166 HydrophobicContact CG2-CD2 3.78Å; F1139-L1166 HydrophobicContact CE2-CD1 4.17Å; F1139-L1166 HydrophobicContact CZ-CD1 4.19Å; L1166-I1173 HydrophobicContact CD1-CG2 3.83Å; L1166-V1175 HydrophobicContact CD1-CG2 4.31Å
1167L93Very high90Very high0 Ų041.5 Ų41.50%020%0.201CC..EExtended strand (participates in β ladder)trans-108.1-23.1177.7-63.7-178.1000113.8S380 V873 S875 T876 R1165 V1174 E1176 L1189S380-L1167 WeakPolarHBondContact CB-O 3.1Å; S380-L1167 WeakPolarHBondContact OG-CA 3.39Å; S380-L1167 PolarHBondContact OG-O 3.46Å; S380-L1167 VanDerWaalsContact OG-O 3.05Å; V873-L1167 HydrophobicContact CB-CD1 4.14Å; V873-L1167 HydrophobicContact CB-CD2 3.98Å; V873-L1167 HydrophobicContact CG1-CB 4.49Å; V873-L1167 HydrophobicContact CG1-CD1 3.94Å; V873-L1167 HydrophobicContact CG1-CD2 3.95Å; V873-L1167 HydrophobicContact CG1-CG 4.35Å; V873-L1167 HydrophobicContact CG2-CD1 4.46Å; S875-L1167 CarbonylContact C-O 3.56Å; T876-L1167 HydrophobicContact CG2-CB 3.98Å; T876-L1167 PolarHBondContact N-O 3.05Å; T876-L1167 PolarHBondContact OG1-O 3.47Å; R1165-L1167 PolarHBondContact O-N 3.41Å; L1167-V1174 WeakPolarHBondContact CA-O 3.47Å; L1167-V1174 HydrophobicContact CB-CB 4.31Å; L1167-V1174 HydrophobicContact CB-CG1 4.21Å; L1167-V1174 WeakPolarHBondContact CB-O 3.44Å; L1167-V1174 HydrophobicContact CD1-CG1 4.17Å; L1167-V1174 PolarHBondContact N-O 2.89Å; L1167-E1176 HydrophobicContact CD1-CB 3.81Å; L1167-E1176 HydrophobicContact CD1-CG 4.39Å; L1167-E1176 HydrophobicContact CD2-CB 4.28Å; L1167-E1176 HydrophobicContact CD2-CG 3.92Å; L1167-E1176 HydrophobicContact CG-CB 4.12Å; L1167-E1176 HydrophobicContact CG-CG 4.22Å; L1167-L1189 HydrophobicContact CD1-CD2 3.79Å
1168G88.7Confident90.3Very high5 Ų542.5 Ų42.55%0.05220%0.202CC..EExtended strand (participates in β ladder)trans172.8162.5176.400000112.9T876 I1173 V1174T876-G1168 WeakPolarHBondContact OG1-CA 3.27Å; T876-G1168 PolarHBondContact OG1-N 2.65Å; G1168-I1173 WeakPolarHBondContact O-CA 3.42Å; G1168-V1174 PolarHBondContact N-O 3.46Å; G1168-V1174 PolarHBondContact O-N 2.99Å
1169S87.8Confident90.3Very high25 Ų2538.9 Ų38.918%0.17519%0.185CC..EExtended strand (participates in β ladder)trans-154.851.3-172.869.20000112.4
1170D77.7Confident90.3Very high69 Ų6940 Ų4037%0.36919%0.194SC..SBendtrans-95.3-34-177177.970.7000113.3
1171R82.3Confident90.2Very high172 Ų17241.7 Ų41.765%0.64920%0.203SC*.SBendtrans-146.4-54.6171.2-68.6-174173.9-157.6-5.4110.1T878T878-R1171 HydrophobicContact CG2-CB 4.31Å
1172N84.7Confident90Very high33 Ų3340.5 Ų40.518%0.17620%0.201CC..SBendtrans-88.1136.9163.9-63.6-65.7000108.6T878 V1174 I1191T878-N1172 WeakPolarHBondContact CG2-ND2 3.45Å; T878-N1172 PolarHBondContact OG1-ND2 2.89Å; T878-N1172 VanDerWaalsContact OG1-ND2 3.09Å; N1172-V1174 HydrophobicContact CB-CG2 4.11Å; N1172-I1191 HydrophobicContact CB-CG2 4.24Å
1173I90.6Very high89.3Confident5 Ų542.6 Ų42.63%0.02622%0.219CC..EExtended strand (participates in β ladder)trans-83.8108.4164.9-64.1-178000106.8V1130 L1137 F1139 L1166 G1168 V1175 I1191 L1192 H1195V1130-I1173 HydrophobicContact CB-CD1 4.39Å; V1130-I1173 HydrophobicContact CG1-CD1 3.89Å; V1130-I1173 HydrophobicContact CG1-CG1 4.46Å; V1130-I1173 HydrophobicContact CG2-CD1 4.4Å; L1137-I1173 HydrophobicContact CD1-CD1 3.71Å; F1139-I1173 HydrophobicContact CE2-CG2 4.45Å; F1139-I1173 HydrophobicContact CZ-CG2 3.77Å; L1166-I1173 HydrophobicContact CD1-CG2 3.83Å; G1168-I1173 WeakPolarHBondContact O-CA 3.42Å; I1173-V1175 HydrophobicContact CG2-CG2 4.32Å; I1173-I1191 CarbonylContact O-C 3.57Å; I1173-I1191 WeakPolarHBondContact O-CA 3.38Å; I1173-L1192 HydrophobicContact CB-CB 4.05Å; I1173-L1192 HydrophobicContact CD1-CD2 4.3Å; I1173-L1192 HydrophobicContact CG2-CB 3.94Å; I1173-L1192 HydrophobicContact CG2-CD2 4.38Å; I1173-L1192 PolarHBondContact O-N 3.21Å; I1173-H1195 WeakPolarHBondContact CD1-NE2 3.2Å
1174V92.6Very high88.7Confident1 Ų148.5 Ų48.51%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-104.9133.7-176.6-170.70000108.9T876 I889 F891 L1167 G1168 N1172 L1190T876-V1174 HydrophobicContact CG2-CG1 4.27Å; I889-V1174 HydrophobicContact CD1-CG2 4Å; I889-V1174 HydrophobicContact CG2-CG2 4.37Å; F891-V1174 HydrophobicContact CE1-CG1 4.3Å; L1167-V1174 WeakPolarHBondContact CA-O 3.47Å; L1167-V1174 HydrophobicContact CB-CB 4.31Å; L1167-V1174 HydrophobicContact CB-CG1 4.21Å; L1167-V1174 WeakPolarHBondContact CB-O 3.44Å; L1167-V1174 HydrophobicContact CD1-CG1 4.17Å; L1167-V1174 PolarHBondContact N-O 2.89Å; G1168-V1174 PolarHBondContact N-O 3.46Å; G1168-V1174 PolarHBondContact O-N 2.99Å; N1172-V1174 HydrophobicContact CB-CG2 4.11Å; V1174-L1190 WeakPolarHBondContact CA-O 3.39Å; V1174-L1190 WeakPolarHBondContact CG1-O 3.35Å
1175V93.6Very high88.3Confident0 Ų048.9 Ų48.90%025%0.25CC..EExtended strand (participates in β ladder)trans-132.2149-175.1179.80000108.4F862 F1139 Y1164 R1165 L1166 I1173 L1190F862-V1175 HydrophobicContact CE1-CB 4.35Å; F862-V1175 HydrophobicContact CE1-CG1 4.3Å; F862-V1175 HydrophobicContact CE1-CG2 4.02Å; F1139-V1175 HydrophobicContact CD1-CG2 4.48Å; F1139-V1175 HydrophobicContact CE1-CG2 3.76Å; F1139-V1175 HydrophobicContact CZ-CG2 4.38Å; Y1164-V1175 HydrophobicContact CD1-CG1 3.95Å; R1165-V1175 CarbonylContact O-C 3.6Å; R1165-V1175 WeakPolarHBondContact O-CA 3.29Å; L1166-V1175 HydrophobicContact CD1-CG2 4.31Å; I1173-V1175 HydrophobicContact CG2-CG2 4.32Å; V1175-L1190 HydrophobicContact CB-CB 4.28Å; V1175-L1190 HydrophobicContact CG1-CD1 4.41Å; V1175-L1190 PolarHBondContact N-O 3.28Å; V1175-L1190 WeakPolarHBondContact O-CB 3.49Å; V1175-L1190 PolarHBondContact O-N 3.44Å
1176E93.8Very high88.1Confident3 Ų349.1 Ų49.11%0.01426%0.257CS..EExtended strand (participates in β ladder)trans-105.4148.5162.466.8167.7-169.600110.6Y1164 R1165 L1167 R1178 S1187 N1188 L1189Y1164-E1176 CarbonylContact C-O 3.56Å; Y1164-E1176 WeakPolarHBondContact CA-O 3.25Å; R1165-E1176 HydrophobicContact CB-CG 3.93Å; R1165-E1176 IonicContact CZ-OE1 2.89Å; R1165-E1176 PolarHBondContact N-O 2.94Å; R1165-E1176 IonicContact NE-OE1 3.96Å; R1165-E1176 PolarHBondContact NE-OE1 2.99Å; R1165-E1176 IonicContact NH2-OE1 3.85Å; R1165-E1176 PolarHBondContact NH2-OE1 2.94Å; R1165-E1176 IonicContact NH2-OE2 3.22Å; R1165-E1176 PolarHBondContact O-N 3.1Å; L1167-E1176 HydrophobicContact CD1-CB 3.81Å; L1167-E1176 HydrophobicContact CD1-CG 4.39Å; L1167-E1176 HydrophobicContact CD2-CB 4.28Å; L1167-E1176 HydrophobicContact CD2-CG 3.92Å; L1167-E1176 HydrophobicContact CG-CB 4.12Å; L1167-E1176 HydrophobicContact CG-CG 4.22Å; E1176-R1178 VanDerWaalsContact CD-NH1 3.34Å; E1176-R1178 IonicContact OE1-CZ 3.9Å; E1176-R1178 IonicContact OE1-NH1 3.69Å; E1176-R1178 PolarHBondContact OE1-NH1 3.24Å; E1176-R1178 IonicContact OE1-NH2 3.57Å; E1176-R1178 PolarHBondContact OE1-NH2 3.29Å; E1176-R1178 IonicContact OE2-CZ 2.76Å; E1176-R1178 IonicContact OE2-NH1 3.5Å; E1176-R1178 IonicContact OE2-NH2 3.94Å; E1176-R1178 PolarHBondContact OE2-NH2 2.79Å; E1176-S1187 WeakPolarHBondContact OE2-CB 3.41Å; E1176-S1187 PolarHBondContact OE2-OG 3.29Å; E1176-N1188 CarbonylContact C-O 3.51Å; E1176-N1188 WeakPolarHBondContact CA-O 3.39Å; E1176-L1189 HydrophobicContact CB-CD2 4.18Å
1177S93.8Very high87.9Confident4 Ų449 Ų493%0.02826%0.257CS..EExtended strand (participates in β ladder)trans-124.2155.9165.468.50000112.6V1163 S1187 N1188V1163-S1177 CarbonylContact O-C 3.57Å; V1163-S1177 VanDerWaalsContact O-CA 3.26Å; V1163-S1177 WeakPolarHBondContact O-CA 3.27Å; S1177-S1187 CarbonylContact O-C 3.45Å; S1177-S1187 WeakPolarHBondContact O-CA 3.28Å; S1177-S1187 VanDerWaalsContact O-CB 3.28Å; S1177-S1187 WeakPolarHBondContact O-CB 3.41Å; S1177-N1188 PolarHBondContact N-O 2.87Å; S1177-N1188 PolarHBondContact O-N 3.4Å
1178R92.6Very high87.8Confident51 Ų5150.4 Ų50.419%0.19226%0.264CS..EExtended strand (participates in β ladder)trans-134.5156.5164.6-65.6-177-174.772.714.5108.7H1162 V1163 E1176 P1183 S1185 S1187H1162-R1178 CarbonylContact C-O 3.46Å; H1162-R1178 VanDerWaalsContact CA-O 3.22Å; H1162-R1178 WeakPolarHBondContact CA-O 3.45Å; V1163-R1178 PolarHBondContact N-O 2.9Å; V1163-R1178 PolarHBondContact O-N 3.07Å; E1176-R1178 VanDerWaalsContact CD-NH1 3.34Å; E1176-R1178 IonicContact OE1-CZ 3.9Å; E1176-R1178 IonicContact OE1-NH1 3.69Å; E1176-R1178 PolarHBondContact OE1-NH1 3.24Å; E1176-R1178 IonicContact OE1-NH2 3.57Å; E1176-R1178 PolarHBondContact OE1-NH2 3.29Å; E1176-R1178 IonicContact OE2-CZ 2.76Å; E1176-R1178 IonicContact OE2-NH1 3.5Å; E1176-R1178 IonicContact OE2-NH2 3.94Å; E1176-R1178 PolarHBondContact OE2-NH2 2.79Å; R1178-P1183 VanDerWaalsContact CD-O 3.28Å; R1178-P1183 WeakPolarHBondContact CD-O 3.46Å; R1178-S1185 WeakPolarHBondContact CB-OG 3.35Å; R1178-S1185 VanDerWaalsContact CD-O 3.31Å; R1178-S1185 WeakPolarHBondContact CD-O 3.26Å; R1178-S1185 WeakPolarHBondContact CG-OG 3.38Å; R1178-S1185 PolarHBondContact NE-O 2.72Å; R1178-S1187 PolarHBondContact NH2-OG 2.87Å
1179P91.2Very high88Confident39 Ų3950.2 Ų50.225%0.25326%0.262SS..EExtended strand (participates in β ladder)trans-59.7144.8167.3-20.634.9000111K1161 D1181 D1182 S1185K1161-P1179 CarbonylContact O-C 3.6Å; K1161-P1179 WeakPolarHBondContact O-CA 3.29Å; P1179-D1181 VanDerWaalsContact C-N 3.28Å; P1179-D1181 WeakPolarHBondContact CB-OD1 3.43Å; P1179-D1181 PolarHBondContact O-N 2.87Å; P1179-D1182 CarbonylContact O-C 3.47Å; P1179-D1182 VanDerWaalsContact O-C 3.27Å; P1179-S1185 VanDerWaalsContact CD-OG 3.23Å; P1179-S1185 WeakPolarHBondContact CD-OG 3.28Å
1180S89.9Confident88.2Confident38 Ų3849.3 Ų49.327%0.26626%0.255SS..SBendtrans-71.3-23.5178.6-65.70000113.1D1160 K1161 H1162D1160-S1180 WeakPolarHBondContact O-CB 3.22Å; D1160-S1180 PolarHBondContact O-OG 3.14Å; K1161-S1180 VanDerWaalsContact C-OG 3.28Å; K1161-S1180 PolarHBondContact O-N 2.99Å; K1161-S1180 PolarHBondContact O-OG 2.82Å; H1162-S1180 VanDerWaalsContact C-OG 3.28Å; H1162-S1180 PolarHBondContact N-OG 2.86Å
1181D89.7Confident88.8Confident147 Ų14746.6 Ų46.679%0.78624%0.24SC*.SBendtrans-84.1-27.3176.966.3-39.2000113.4P1179P1179-D1181 VanDerWaalsContact C-N 3.28Å; P1179-D1181 WeakPolarHBondContact CB-OD1 3.43Å; P1179-D1181 PolarHBondContact O-N 2.87Å
1182D86.3Confident89.1Confident75 Ų7538.5 Ų38.540%0.40121%0.21SC..  trans-121.779.2166.7-175.116.4000113.5P1179 M1184 S1185P1179-D1182 CarbonylContact O-C 3.47Å; P1179-D1182 VanDerWaalsContact O-C 3.27Å; D1182-M1184 PolarHBondContact O-N 2.87Å; D1182-M1184 WeakPolarHBondContact OD1-CA 3.26Å; D1182-M1184 WeakPolarHBondContact OD1-CB 3.26Å; D1182-M1184 PolarHBondContact OD1-N 3.26Å; D1182-S1185 WeakPolarHBondContact O-CB 3.13Å; D1182-S1185 PolarHBondContact O-N 3.11Å; D1182-S1185 PolarHBondContact OD1-N 2.86Å; D1182-S1185 WeakPolarHBondContact OD2-CB 3.23Å; D1182-S1185 PolarHBondContact OD2-N 2.85Å
1183P74.7Confident89Confident83 Ų8339.5 Ų39.554%0.53922%0.218SC..THydrogen-bonded Turntrans-62.4-9.6171.7-23.534.8000114.7R1178R1178-P1183 VanDerWaalsContact CD-O 3.28Å; R1178-P1183 WeakPolarHBondContact CD-O 3.46Å
1184M79.6Confident87.9Confident170 Ų17040.2 Ų40.284%0.83723%0.226SC*.THydrogen-bonded Turntrans-94.61.1176.9-68.1-62.3-54.100112.8D1182D1182-M1184 PolarHBondContact O-N 2.87Å; D1182-M1184 WeakPolarHBondContact OD1-CA 3.26Å; D1182-M1184 WeakPolarHBondContact OD1-CB 3.26Å; D1182-M1184 PolarHBondContact OD1-N 3.26Å
1185S85.4Confident86.5Confident23 Ų2342.1 Ų42.116%0.16123%0.234CC..SBendtrans-60.2158.6177.388.30000112.2R1178 P1179 D1182R1178-S1185 WeakPolarHBondContact CB-OG 3.35Å; R1178-S1185 VanDerWaalsContact CD-O 3.31Å; R1178-S1185 WeakPolarHBondContact CD-O 3.26Å; R1178-S1185 WeakPolarHBondContact CG-OG 3.38Å; R1178-S1185 PolarHBondContact NE-O 2.72Å; P1179-S1185 VanDerWaalsContact CD-OG 3.23Å; P1179-S1185 WeakPolarHBondContact CD-OG 3.28Å; D1182-S1185 WeakPolarHBondContact O-CB 3.13Å; D1182-S1185 PolarHBondContact O-N 3.11Å; D1182-S1185 PolarHBondContact OD1-N 2.86Å; D1182-S1185 WeakPolarHBondContact OD2-CB 3.23Å; D1182-S1185 PolarHBondContact OD2-N 2.85Å
1186N88.4Confident84.2Confident85 Ų8548.5 Ų48.546%0.45526%0.264SS..PPolyproline II helixtrans-57140.6156.4-70.88.5000109G868 C869G868-N1186 VanDerWaalsContact C-CB 3.42Å; G868-N1186 WeakPolarHBondContact O-CB 3.48Å; G868-N1186 PolarHBondContact O-ND2 3.46Å; C869-N1186 CarbonylContact O-C 3.58Å; C869-N1186 WeakPolarHBondContact O-CA 3.31Å; C869-N1186 WeakPolarHBondContact O-CB 3.33Å
1187S89.7Confident81.8Confident1 Ų152.1 Ų52.11%0.00728%0.284CS..EExtended strand (participates in β ladder)trans-86.8144-179.735.60000113.3C869 E1176 S1177 R1178C869-S1187 WeakPolarHBondContact CA-O 3.37Å; C869-S1187 WeakPolarHBondContact CB-O 3.48Å; C869-S1187 PolarHBondContact N-O 2.67Å; C869-S1187 PolarHBondContact O-N 2.76Å; E1176-S1187 WeakPolarHBondContact OE2-CB 3.41Å; E1176-S1187 PolarHBondContact OE2-OG 3.29Å; S1177-S1187 CarbonylContact O-C 3.45Å; S1177-S1187 WeakPolarHBondContact O-CA 3.28Å; S1177-S1187 VanDerWaalsContact O-CB 3.28Å; S1177-S1187 WeakPolarHBondContact O-CB 3.41Å; R1178-S1187 PolarHBondContact NH2-OG 2.87Å
1188N91.7Very high78.7Confident30 Ų3055.3 Ų55.316%0.1631%0.306CS..EExtended strand (participates in β ladder)trans-78.9144.2163.3-64.1-24.6000108.9Q864 F866 E867 G868 E1176 S1177 L1190Q864-N1188 HydrophobicContact CG-CB 4.44Å; Q864-N1188 VanDerWaalsContact OE1-CG 3.3Å; Q864-N1188 PolarHBondContact OE1-ND2 3.11Å; F866-N1188 WeakPolarHBondContact O-CA 3.47Å; E867-N1188 WeakPolarHBondContact CA-OD1 3.36Å; E867-N1188 WeakPolarHBondContact CG-OD1 3.25Å; G868-N1188 PolarHBondContact N-OD1 3.03Å; E1176-N1188 CarbonylContact C-O 3.51Å; E1176-N1188 WeakPolarHBondContact CA-O 3.39Å; S1177-N1188 PolarHBondContact N-O 2.87Å; S1177-N1188 PolarHBondContact O-N 3.4Å; N1188-L1190 HydrophobicContact CB-CD2 4.46Å
1189L92.1Very high75.4Confident0 Ų059 Ų590%034%0.34CS..EExtended strand (participates in β ladder)trans-105.4131.8175.4-52.3178.5000108.9I865 F866 C869 V873 F891 L910 L1167 E1176I865-L1189 HydrophobicContact CD1-CB 4.34Å; I865-L1189 HydrophobicContact CG1-CB 4.05Å; I865-L1189 WeakPolarHBondContact CG1-O 3.48Å; I865-L1189 PolarHBondContact N-O 3.44Å; F866-L1189 HydrophobicContact CB-CB 3.91Å; F866-L1189 HydrophobicContact CB-CD1 3.9Å; F866-L1189 HydrophobicContact CB-CG 4.04Å; F866-L1189 HydrophobicContact CG-CD1 4.37Å; F866-L1189 PolarHBondContact N-O 2.95Å; F866-L1189 PolarHBondContact O-N 2.82Å; C869-L1189 HydrophobicContact CB-CD1 4.15Å; C869-L1189 HydrophobicContact CB-CD2 4.32Å; C869-L1189 HydrophobicContact CB-CG 4.02Å; V873-L1189 HydrophobicContact CG2-CD2 4.25Å; F891-L1189 HydrophobicContact CD1-CD1 4.21Å; F891-L1189 HydrophobicContact CE1-CD1 3.73Å; F891-L1189 HydrophobicContact CZ-CD1 4.1Å; L910-L1189 HydrophobicContact CD1-CD1 4.02Å; L1167-L1189 HydrophobicContact CD1-CD2 3.79Å; E1176-L1189 HydrophobicContact CB-CD2 4.18Å
1190L91.8Very high74.6Confident6 Ų660.1 Ų60.13%0.03134%0.344CS..EExtended strand (participates in β ladder)trans-129.2152.7-168.3-49.6172.1000110.3F862 M863 Q864 Y1164 V1174 V1175 N1188F862-L1190 HydrophobicContact CB-CB 4.34Å; F862-L1190 HydrophobicContact CB-CD1 4.02Å; F862-L1190 HydrophobicContact CD1-CD1 4.44Å; F862-L1190 HydrophobicContact CG-CD1 4.12Å; M863-L1190 CarbonylContact O-C 3.59Å; M863-L1190 VanDerWaalsContact O-CA 3.28Å; M863-L1190 WeakPolarHBondContact O-CA 3.36Å; Q864-L1190 HydrophobicContact CB-CD2 3.79Å; Q864-L1190 HydrophobicContact CG-CD2 4.06Å; Y1164-L1190 HydrophobicContact CD1-CD1 3.84Å; Y1164-L1190 HydrophobicContact CE1-CD1 3.61Å; V1174-L1190 WeakPolarHBondContact CA-O 3.39Å; V1174-L1190 WeakPolarHBondContact CG1-O 3.35Å; V1175-L1190 HydrophobicContact CB-CB 4.28Å; V1175-L1190 HydrophobicContact CG1-CD1 4.41Å; V1175-L1190 PolarHBondContact N-O 3.28Å; V1175-L1190 WeakPolarHBondContact O-CB 3.49Å; V1175-L1190 PolarHBondContact O-N 3.44Å; N1188-L1190 HydrophobicContact CB-CD2 4.46Å
1191I90.4Very high73.8Confident12 Ų1261.2 Ų61.26%0.06235%0.348CS..EExtended strand (participates in β ladder)trans-116.6138.4163.4-60.5176.9000108.5M863 I865 I889 L902 N1172 I1173 V1193M863-I1191 PolarHBondContact N-O 3.02Å; M863-I1191 PolarHBondContact O-N 2.87Å; I865-I1191 HydrophobicContact CD1-CD1 4.17Å; I865-I1191 HydrophobicContact CD1-CG1 3.92Å; I865-I1191 HydrophobicContact CG1-CG1 4.32Å; I865-I1191 HydrophobicContact CG2-CD1 3.79Å; I865-I1191 HydrophobicContact CG2-CG1 3.98Å; I889-I1191 HydrophobicContact CD1-CD1 3.68Å; I889-I1191 HydrophobicContact CD1-CG1 4.2Å; L902-I1191 HydrophobicContact CD1-CD1 4.2Å; L902-I1191 HydrophobicContact CD2-CD1 4.31Å; N1172-I1191 HydrophobicContact CB-CG2 4.24Å; I1173-I1191 CarbonylContact O-C 3.57Å; I1173-I1191 WeakPolarHBondContact O-CA 3.38Å; I1191-V1193 HydrophobicContact CB-CG2 4.44Å; I1191-V1193 HydrophobicContact CG2-CG2 4.03Å
1192L88.6Confident72.9Confident2 Ų256.4 Ų56.41%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-79.7116.8168.7-173.870.3000110.1A860 F862 L1137 F1139 L1144 I1157 I1173 H1195A860-L1192 HydrophobicContact CB-CD1 3.7Å; A860-L1192 HydrophobicContact CB-CD2 4.33Å; A860-L1192 HydrophobicContact CB-CG 4.01Å; F862-L1192 HydrophobicContact CD1-CB 4.42Å; F862-L1192 HydrophobicContact CD1-CD1 3.85Å; F862-L1192 HydrophobicContact CE1-CB 4.47Å; F862-L1192 HydrophobicContact CE1-CD1 3.78Å; L1137-L1192 HydrophobicContact CD1-CD2 3.61Å; F1139-L1192 HydrophobicContact CZ-CD2 4.42Å; L1144-L1192 HydrophobicContact CD2-CD1 3.66Å; L1144-L1192 HydrophobicContact CD2-CD2 3.55Å; L1144-L1192 HydrophobicContact CD2-CG 4.22Å; I1157-L1192 HydrophobicContact CD1-CD1 3.93Å; I1173-L1192 HydrophobicContact CB-CB 4.05Å; I1173-L1192 HydrophobicContact CD1-CD2 4.3Å; I1173-L1192 HydrophobicContact CG2-CB 3.94Å; I1173-L1192 HydrophobicContact CG2-CD2 4.38Å; I1173-L1192 PolarHBondContact O-N 3.21Å; L1192-H1195 HydrophobicContact CD2-CB 4.09Å; L1192-H1195 PolarHBondContact O-CE1 2.53Å; L1192-H1195 PolarHBondContact O-ND1 2.71Å
1193V83.1Confident72.2Confident55 Ų5555.4 Ų55.433%0.33332%0.32SS..EExtended strand (participates in β ladder)trans-116.3144-179-1770000109.4A860 C861 M863 I1191A860-V1193 CarbonylContact C-O 3.59Å; A860-V1193 VanDerWaalsContact CA-O 3.27Å; A860-V1193 WeakPolarHBondContact CA-O 3.27Å; C861-V1193 PolarHBondContact N-O 3.32Å; C861-V1193 PolarHBondContact O-N 3.03Å; M863-V1193 HydrophobicContact CB-CG2 3.87Å; M863-V1193 HydrophobicContact CE-CG2 4.1Å; M863-V1193 HydrophobicContact SD-CG2 4.19Å; I1191-V1193 HydrophobicContact CB-CG2 4.44Å; I1191-V1193 HydrophobicContact CG2-CG2 4.03Å
1194G67.1Low72Confident19 Ų1953.6 Ų53.620%0.19631%0.306CS..SBendtrans80.818.7-176.800000114.6A860 Q1155A860-G1194 WeakPolarHBondContact CA-O 3.43Å; A860-G1194 PolarHBondContact N-O 3.01Å; Q1155-G1194 PolarHBondContact NE2-O 3.24Å; Q1155-G1194 VanDerWaalsContact NE2-O 3.12Å
1195H62.4Low71.5Confident41 Ų4145.9 Ų45.919%0.1927%0.271CS..  trans-84.1115.315666.2-79.5000107A860 L1137 I1173 L1192A860-H1195 HydrophobicContact CB-CB 4.23Å; L1137-H1195 HydrophobicContact CD1-CB 4.21Å; I1173-H1195 WeakPolarHBondContact CD1-NE2 3.2Å; L1192-H1195 HydrophobicContact CD2-CB 4.09Å; L1192-H1195 PolarHBondContact O-CE1 2.53Å; L1192-H1195 PolarHBondContact O-ND1 2.71Å
1196E45.9Very low70.5Confident134 Ų13447.5 Ų47.563%0.62628%0.278SS*.  trans-85.8121.2171.8-67.1-172.9-172.400107.9S1198E1196-S1198 PolarHBondContact O-N 3.3Å
1197D44.3Very low69.1Low80 Ų8044.6 Ų44.643%0.42827%0.265SS..  trans-70.5108.6157.1-116-38.5000105.8L1132 H1133 S1199L1132-D1197 VanDerWaalsContact CA-OD1 3.3Å; L1132-D1197 WeakPolarHBondContact CA-OD1 3.42Å; L1132-D1197 VanDerWaalsContact CB-OD1 3.32Å; L1132-D1197 WeakPolarHBondContact CB-OD1 3.4Å; H1133-D1197 PolarHBondContact N-OD1 3.32Å; D1197-S1199 PolarHBondContact O-N 3.12Å
1198S27.1Very low67.4Low71 Ų7148.3 Ų48.350%0.49729%0.286SS..  trans-71.450.1-167.1-49.90000115.4D1134 E1196D1134-S1198 VanDerWaalsContact OD2-CB 3.24Å; D1134-S1198 WeakPolarHBondContact OD2-CB 3.5Å; D1134-S1198 PolarHBondContact OD2-OG 2.7Å; D1134-S1198 VanDerWaalsContact OD2-OG 3.06Å; E1196-S1198 PolarHBondContact O-N 3.3Å
1199S24.4Very low65.2Low129 Ų12949.9 Ų49.990%0.90230%0.298SS*.  trans-1500178.567.70000114.5H1133 D1197H1133-S1199 WeakPolarHBondContact ND1-CB 3.42Å; H1133-S1199 PolarHBondContact ND1-OG 2.66Å; H1133-S1199 VanDerWaalsContact ND1-OG 3.13Å; D1197-S1199 PolarHBondContact O-N 3.12Å

Retrieved 1,199 of 1,199 residues in 1569.6 ms (Link to these results)

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