A0A087X0E7_HUMAN Loading...

Chromosome 18 open reading frame 21

AlphaFold DB , UniProt , Accession A0A087X0E7, Species HUMAN (Homo sapiens, Human), Gene RMP24, Length 130 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
1M55.8Low77Confident181 Ų18196.3 Ų96.389%0.89245%0.454SS*.  0-510-67-69-13600112.9Q3 K4 H5M1-Q3 PolarHBondContact O-N 3.15Å; M1-K4 PolarHBondContact O-N 3.34Å; M1-H5 PolarHBondContact O-CD2 3.43Å
2R64.6Low77.5Confident229 Ų22997 Ų9786%0.86445%0.449SS*.Hα-helixtrans-64.2-37.6-173.4-163178.9-72.2176.4-2.8115.5K4 Y6R2-K4 VanDerWaalsContact C-N 3.34Å; R2-K4 PolarHBondContact O-N 3.26Å; R2-Y6 PolarHBondContact O-N 2.94Å
3Q69.8Low78.2Confident150 Ų15094.2 Ų94.270%0.70146%0.463SS*.Hα-helixtrans-69.9-28.8-179.2-167.2175.42.600113.3M1 Y6 L7M1-Q3 PolarHBondContact O-N 3.15Å; Q3-Y6 PolarHBondContact O-N 3.03Å; Q3-L7 PolarHBondContact O-N 3.49Å
4K70.5Confident78.8Confident53 Ų5391.1 Ų91.123%0.2345%0.449CS..Hα-helixtrans-62.7-54.2179.7-61.9-160.2-166.5-158.50111M1 R2 Y6 L7 E8 Y29 H33 D35M1-K4 PolarHBondContact O-N 3.34Å; R2-K4 VanDerWaalsContact C-N 3.34Å; R2-K4 PolarHBondContact O-N 3.26Å; K4-Y6 PolarHBondContact O-N 2.88Å; K4-L7 PolarHBondContact O-N 3.34Å; K4-E8 PolarHBondContact O-N 2.93Å; K4-Y29 HydrophobicContact CB-CE2 3.95Å; K4-H33 VanDerWaalsContact CE-CD2 3.45Å; K4-H33 WeakPolarHBondContact CE-CD2 3.33Å; K4-H33 WeakPolarHBondContact CE-NE2 3.23Å; K4-H33 PolarHBondContact NZ-CD2 3.4Å; K4-H33 PolarHBondContact NZ-NE2 3.2Å; K4-D35 IonicContact NZ-OD2 2.79Å
5H75.1Confident78.9Confident119 Ų11986.5 Ų86.555%0.55143%0.426SS*.Hα-helixtrans-66.3-27.3178.9-61.3-58.2000112.8M1 A9M1-H5 PolarHBondContact O-CD2 3.43Å; H5-A9 VanDerWaalsContact O-CB 3.24Å; H5-A9 WeakPolarHBondContact O-CB 3.41Å; H5-A9 PolarHBondContact O-N 3.05Å
6Y84.9Confident78.8Confident165 Ų16590.3 Ų90.365%0.64745%0.448SS*.Hα-helixtrans-68.1-48.3176.7-179.1-96.2000112.3R2 Q3 K4 E8 A9 A10R2-Y6 PolarHBondContact O-N 2.94Å; Q3-Y6 PolarHBondContact O-N 3.03Å; K4-Y6 PolarHBondContact O-N 2.88Å; Y6-E8 VanDerWaalsContact C-N 3.3Å; Y6-E8 PolarHBondContact O-N 3.44Å; Y6-A9 PolarHBondContact O-N 3.34Å; Y6-A10 WeakPolarHBondContact O-CB 3.35Å; Y6-A10 PolarHBondContact O-N 3.29Å
7L85Confident79.1Confident33 Ų3390.2 Ų90.217%0.17346%0.458CS..Hα-helixtrans-63.4-39.4178-69.4174.5000111.7Q3 K4 A11 L25Q3-L7 PolarHBondContact O-N 3.49Å; K4-L7 PolarHBondContact O-N 3.34Å; L7-A11 WeakPolarHBondContact O-CB 3.44Å; L7-A11 PolarHBondContact O-N 3.34Å; L7-L25 HydrophobicContact CD2-CD2 3.91Å
8E81.4Confident79.4Confident36 Ų3687.5 Ų87.517%0.16845%0.449CS..Hα-helixtrans-61.7-51.5174.6-176.5-173.8169.200112K4 Y6 A10 A11 R12 F39K4-E8 PolarHBondContact O-N 2.93Å; Y6-E8 VanDerWaalsContact C-N 3.3Å; Y6-E8 PolarHBondContact O-N 3.44Å; E8-A10 VanDerWaalsContact C-N 3.3Å; E8-A10 PolarHBondContact O-N 3.47Å; E8-A11 PolarHBondContact O-N 2.92Å; E8-R12 PolarHBondContact O-N 3.19Å; E8-R12 IonicContact OE1-CZ 3.91Å; E8-R12 IonicContact OE1-NE 2.75Å; E8-R12 PolarHBondContact OE1-NE 3.44Å; E8-R12 IonicContact OE1-NH2 3.23Å; E8-R12 PolarHBondContact OE1-NH2 3.39Å; E8-F39 VanDerWaalsContact CD-CZ 3.43Å; E8-F39 HydrophobicContact CG-CE2 3.67Å; E8-F39 HydrophobicContact CG-CZ 3.51Å; E8-F39 WeakPolarHBondContact OE1-CE2 3.49Å; E8-F39 WeakPolarHBondContact OE1-CZ 3.45Å
9A85.3Confident79.4Confident62 Ų6285.7 Ų85.751%0.51244%0.443SS..Hα-helixtrans-61.8-40.4-179.600000111.7H5 Y6 R12 G13H5-A9 VanDerWaalsContact O-CB 3.24Å; H5-A9 WeakPolarHBondContact O-CB 3.41Å; H5-A9 PolarHBondContact O-N 3.05Å; Y6-A9 PolarHBondContact O-N 3.34Å; A9-R12 PolarHBondContact O-N 3.26Å; A9-G13 PolarHBondContact O-N 2.99Å
10A88Confident79.5Confident29 Ų2983.4 Ų83.424%0.2444%0.441CS..Hα-helixtrans-63.2-42.7175.200000111.8Y6 E8 R12 G13 L14 L25Y6-A10 WeakPolarHBondContact O-CB 3.35Å; Y6-A10 PolarHBondContact O-N 3.29Å; E8-A10 VanDerWaalsContact C-N 3.3Å; E8-A10 PolarHBondContact O-N 3.47Å; A10-R12 PolarHBondContact O-N 3.11Å; A10-G13 PolarHBondContact O-N 3.39Å; A10-L14 WeakPolarHBondContact O-CB 3.32Å; A10-L14 WeakPolarHBondContact O-CG 3.37Å; A10-L14 PolarHBondContact O-N 2.95Å; A10-L25 HydrophobicContact CB-CD1 3.97Å
11A86.3Confident79.8Confident2 Ų284.5 Ų84.52%0.01744%0.444CS..Hα-helixtrans-63.8-40.5176.800000112.5L7 E8 L14 H15 A22 L25 L26L7-A11 WeakPolarHBondContact O-CB 3.44Å; L7-A11 PolarHBondContact O-N 3.34Å; E8-A11 PolarHBondContact O-N 2.92Å; A11-L14 PolarHBondContact O-N 3.5Å; A11-H15 PolarHBondContact O-N 3.1Å; A11-H15 VanDerWaalsContact O-N 3.11Å; A11-A22 WeakPolarHBondContact O-CB 3.46Å; A11-L25 HydrophobicContact CB-CB 4.06Å; A11-L26 HydrophobicContact CB-CD1 4.23Å; A11-L26 HydrophobicContact CB-CD2 4.15Å; A11-L26 HydrophobicContact CB-CG 3.75Å
12R83.8Confident81.3Confident105 Ų10576.1 Ų76.140%0.39640%0.403SS..Hα-helixtrans-63.2-43.2174.7-69-177.4-170.8-107.1-0.4111.6E8 A9 A10 L14 H15 E41 L49E8-R12 PolarHBondContact O-N 3.19Å; E8-R12 IonicContact OE1-CZ 3.91Å; E8-R12 IonicContact OE1-NE 2.75Å; E8-R12 PolarHBondContact OE1-NE 3.44Å; E8-R12 IonicContact OE1-NH2 3.23Å; E8-R12 PolarHBondContact OE1-NH2 3.39Å; A9-R12 PolarHBondContact O-N 3.26Å; A10-R12 PolarHBondContact O-N 3.11Å; R12-L14 VanDerWaalsContact C-N 3.31Å; R12-L14 PolarHBondContact O-N 2.87Å; R12-H15 WeakPolarHBondContact O-CB 3.22Å; R12-H15 PolarHBondContact O-N 2.63Å; R12-E41 IonicContact CZ-OE2 2.9Å; R12-E41 VanDerWaalsContact CZ-OE2 3.23Å; R12-E41 IonicContact NH1-OE2 2.82Å; R12-E41 PolarHBondContact NH1-OE2 2.81Å; R12-E41 IonicContact NH2-OE2 3.44Å; R12-E41 PolarHBondContact NH2-OE2 2.87Å; R12-L49 HydrophobicContact CG-CD2 4.39Å
13G86.4Confident82.3Confident61 Ų6170 Ų7063%0.62938%0.38SS*.Hα-helixtrans-68.2-27.6178.500000114.3A9 A10A9-G13 PolarHBondContact O-N 2.99Å; A10-G13 PolarHBondContact O-N 3.39Å
14L86.4Confident83.1Confident50 Ų5070 Ų7026%0.26238%0.375SS..Hα-helixtrans-92.5-4.9178.4-68.6172.9000113.8A10 A11 R12 D16 S17 C18 Q21 A22 L25A10-L14 WeakPolarHBondContact O-CB 3.32Å; A10-L14 WeakPolarHBondContact O-CG 3.37Å; A10-L14 PolarHBondContact O-N 2.95Å; A11-L14 PolarHBondContact O-N 3.5Å; R12-L14 VanDerWaalsContact C-N 3.31Å; R12-L14 PolarHBondContact O-N 2.87Å; L14-D16 VanDerWaalsContact C-N 3.32Å; L14-D16 PolarHBondContact O-N 2.78Å; L14-S17 PolarHBondContact O-N 2.94Å; L14-C18 CarbonylContact O-C 3.12Å; L14-C18 WeakPolarHBondContact O-CA 3.34Å; L14-C18 PolarHBondContact O-N 3.36Å; L14-C18 VanDerWaalsContact O-O 3.13Å; L14-Q21 HydrophobicContact CD1-CB 4.17Å; L14-A22 HydrophobicContact CB-CB 4.23Å; L14-L25 HydrophobicContact CD1-CD1 3.79Å
15H80.3Confident83.9Confident23 Ų2369.1 Ų69.111%0.10637%0.373CS..THydrogen-bonded Turntrans-55.1-46.4-174.6174.1-91.3000112.6A11 R12 Q48 L49A11-H15 PolarHBondContact O-N 3.1Å; A11-H15 VanDerWaalsContact O-N 3.11Å; R12-H15 WeakPolarHBondContact O-CB 3.22Å; R12-H15 PolarHBondContact O-N 2.63Å; H15-Q48 PolarHBondContact NE2-NE2 2.75Å; H15-L49 HydrophobicContact CB-CD2 4.44Å; H15-L49 VanDerWaalsContact CD2-CB 3.5Å; H15-L49 WeakPolarHBondContact CD2-CB 3.42Å
16D77.3Confident84.4Confident146 Ų14663.7 Ų63.778%0.78135%0.347SS*.THydrogen-bonded Turntrans-85.6-29.4-174.7-59.8-31.4000112.9L14L14-D16 VanDerWaalsContact C-N 3.32Å; L14-D16 PolarHBondContact O-N 2.78Å
17S84.5Confident84.4Confident89 Ų8961.6 Ų61.662%0.62234%0.338SS*.THydrogen-bonded Turntrans-90-42.3-176.356.40000113L14L14-S17 PolarHBondContact O-N 2.94Å
18C84.3Confident84.4Confident42 Ų4261.3 Ų61.328%0.28434%0.341SS..  trans-143.481.6-178.9-164.40000111.4L14 G20 Q21 A22L14-C18 CarbonylContact O-C 3.12Å; L14-C18 WeakPolarHBondContact O-CA 3.34Å; L14-C18 PolarHBondContact O-N 3.36Å; L14-C18 VanDerWaalsContact O-O 3.13Å; C18-G20 PolarHBondContact O-N 3.04Å; C18-G20 VanDerWaalsContact O-N 3.12Å; C18-Q21 HydrophobicContact CB-CB 4.18Å; C18-Q21 HydrophobicContact CB-CG 4.41Å; C18-Q21 PolarHBondContact O-N 3.15Å; C18-Q21 VanDerWaalsContact O-N 3.12Å; C18-Q21 VanDerWaalsContact SG-CG 3.55Å; C18-A22 PolarHBondContact O-N 3.45Å; C18-A22 VanDerWaalsContact O-N 3.08Å
19P79.4Confident84.3Confident53 Ų5360.6 Ų60.634%0.34434%0.337SS..Hα-helixtrans-62.6-25.5-176.423.8-34.4000113.1R23P19-R23 WeakPolarHBondContact O-CB 3.44Å; P19-R23 WeakPolarHBondContact O-CG 3.28Å; P19-R23 PolarHBondContact O-N 2.86Å
20G81.1Confident83.9Confident39 Ų3960.6 Ų60.640%0.40233%0.331SS..Hα-helixtrans-67.3-44.6175.200000113C18 R23 Y24C18-G20 PolarHBondContact O-N 3.04Å; C18-G20 VanDerWaalsContact O-N 3.12Å; G20-R23 PolarHBondContact O-N 3.19Å; G20-Y24 PolarHBondContact O-N 2.93Å; G20-Y24 VanDerWaalsContact O-N 3.1Å
21Q86.8Confident83.2Confident108 Ų10862.7 Ų62.751%0.50534%0.344SS..Hα-helixtrans-69.1-40.5176.3-75.2176.1-1000111.3L14 C18 R23 Y24 L25L14-Q21 HydrophobicContact CD1-CB 4.17Å; C18-Q21 HydrophobicContact CB-CB 4.18Å; C18-Q21 HydrophobicContact CB-CG 4.41Å; C18-Q21 PolarHBondContact O-N 3.15Å; C18-Q21 VanDerWaalsContact O-N 3.12Å; C18-Q21 VanDerWaalsContact SG-CG 3.55Å; Q21-R23 VanDerWaalsContact C-N 3.31Å; Q21-R23 PolarHBondContact O-N 2.84Å; Q21-Y24 PolarHBondContact O-N 3.42Å; Q21-L25 WeakPolarHBondContact O-CG 3.48Å; Q21-L25 PolarHBondContact O-N 2.98Å
22A86.4Confident82.5Confident4 Ų466.1 Ų66.13%0.03337%0.368CS..Hα-helixtrans-56.7-45174.200000111.9A11 L14 C18 L25 L26A11-A22 WeakPolarHBondContact O-CB 3.46Å; L14-A22 HydrophobicContact CB-CB 4.23Å; C18-A22 PolarHBondContact O-N 3.45Å; C18-A22 VanDerWaalsContact O-N 3.08Å; A22-L25 PolarHBondContact O-N 3Å; A22-L26 WeakPolarHBondContact O-CG 3.43Å; A22-L26 PolarHBondContact O-N 3.43Å
23R84.9Confident81.5Confident100 Ų10063.5 Ų63.538%0.37736%0.36SS..Hα-helixtrans-61.7-43.1175.3-79.6-173.5-109.2134.6-4.2112.8P19 G20 Q21 L26 W27 C46P19-R23 WeakPolarHBondContact O-CB 3.44Å; P19-R23 WeakPolarHBondContact O-CG 3.28Å; P19-R23 PolarHBondContact O-N 2.86Å; G20-R23 PolarHBondContact O-N 3.19Å; Q21-R23 VanDerWaalsContact C-N 3.31Å; Q21-R23 PolarHBondContact O-N 2.84Å; R23-L26 PolarHBondContact O-N 3.14Å; R23-W27 WeakPolarHBondContact O-CB 3.33Å; R23-W27 PolarHBondContact O-N 3.38Å; R23-C46 WeakPolarHBondContact CD-O 3.11Å
24Y87.3Confident80Confident151 Ų15168.8 Ų68.859%0.59237%0.373SS*.Hα-helixtrans-63.2-42.5178.7178-101.3000112.1G20 Q21 W27 A28G20-Y24 PolarHBondContact O-N 2.93Å; G20-Y24 VanDerWaalsContact O-N 3.1Å; Q21-Y24 PolarHBondContact O-N 3.42Å; Y24-W27 HydrophobicContact CD2-CE3 4.23Å; Y24-W27 HydrophobicContact CE2-CE3 4.04Å; Y24-W27 HydrophobicContact CE2-CZ3 4.02Å; Y24-W27 PolarHBondContact O-N 3.03Å; Y24-A28 WeakPolarHBondContact O-CB 3.26Å; Y24-A28 PolarHBondContact O-N 3.05Å
25L87.9Confident78.5Confident35 Ų3571.6 Ų71.618%0.18339%0.389CS..Hα-helixtrans-64.5-39.9176.8-67.6172.1000112L7 A10 A11 L14 Q21 A22 A28 Y29L7-L25 HydrophobicContact CD2-CD2 3.91Å; A10-L25 HydrophobicContact CB-CD1 3.97Å; A11-L25 HydrophobicContact CB-CB 4.06Å; L14-L25 HydrophobicContact CD1-CD1 3.79Å; Q21-L25 WeakPolarHBondContact O-CG 3.48Å; Q21-L25 PolarHBondContact O-N 2.98Å; A22-L25 PolarHBondContact O-N 3Å; L25-A28 PolarHBondContact O-N 3.17Å; L25-Y29 WeakPolarHBondContact O-CB 3.35Å; L25-Y29 PolarHBondContact O-N 3.4Å
26L83.9Confident77.2Confident4 Ų480 Ų802%0.02143%0.425CS..Hα-helixtrans-68.1-37.4175.4-75.8166.4000112.7A11 A22 R23 Y29 T30 T42 F47 L49A11-L26 HydrophobicContact CB-CD1 4.23Å; A11-L26 HydrophobicContact CB-CD2 4.15Å; A11-L26 HydrophobicContact CB-CG 3.75Å; A22-L26 WeakPolarHBondContact O-CG 3.43Å; A22-L26 PolarHBondContact O-N 3.43Å; R23-L26 PolarHBondContact O-N 3.14Å; L26-Y29 PolarHBondContact O-N 2.99Å; L26-T30 PolarHBondContact O-N 3.33Å; L26-T30 PolarHBondContact O-OG1 2.81Å; L26-T42 HydrophobicContact CB-CG2 4.33Å; L26-T42 HydrophobicContact CD1-CG2 4.04Å; L26-T42 HydrophobicContact CD2-CG2 4.43Å; L26-T42 HydrophobicContact CG-CG2 4.5Å; L26-F47 HydrophobicContact CB-CB 4.07Å; L26-F47 WeakPolarHBondContact CD1-O 3.32Å; L26-L49 HydrophobicContact CD1-CD1 4.41Å
27W84.9Confident75.9Confident121 Ų12175.7 Ų75.746%0.45841%0.406SS..Hα-helixtrans-61.4-50.8171173.278.8000111R23 Y24 Y29 T30 S31 F47R23-W27 WeakPolarHBondContact O-CB 3.33Å; R23-W27 PolarHBondContact O-N 3.38Å; Y24-W27 HydrophobicContact CD2-CE3 4.23Å; Y24-W27 HydrophobicContact CE2-CE3 4.04Å; Y24-W27 HydrophobicContact CE2-CZ3 4.02Å; Y24-W27 PolarHBondContact O-N 3.03Å; W27-Y29 VanDerWaalsContact C-N 3.28Å; W27-Y29 PolarHBondContact O-N 3.22Å; W27-T30 PolarHBondContact O-N 2.93Å; W27-S31 PolarHBondContact NE1-OG 3.36Å; W27-S31 WeakPolarHBondContact O-CB 3.44Å; W27-S31 PolarHBondContact O-N 3.36Å; W27-S31 PolarHBondContact O-OG 2.85Å; W27-F47 HydrophobicContact CB-CB 4.46Å; W27-F47 HydrophobicContact CB-CD1 4.17Å; W27-F47 HydrophobicContact CB-CD2 3.97Å; W27-F47 HydrophobicContact CB-CE1 4.46Å; W27-F47 HydrophobicContact CB-CE2 4.31Å; W27-F47 HydrophobicContact CB-CG 3.91Å; W27-F47 AromaticContact CD1-CD2 3.99Å; W27-F47 AromaticContact CD1-CE2 3.49Å; W27-F47 VanDerWaalsContact CD1-CE2 3.49Å; W27-F47 AromaticContact CD1-CZ 3.61Å; W27-F47 HydrophobicContact CG-CD2 4.39Å; W27-F47 HydrophobicContact CG-CE2 4.29Å; W27-F47 HydrophobicContact CG-CZ 4.47Å
28A85.4Confident74.2Confident28 Ų2876.7 Ų76.723%0.23141%0.409CS..Hα-helixtrans-60.3-38.117900000112.4Y24 L25 S32Y24-A28 WeakPolarHBondContact O-CB 3.26Å; Y24-A28 PolarHBondContact O-N 3.05Å; L25-A28 PolarHBondContact O-N 3.17Å; A28-S32 WeakPolarHBondContact O-CB 3.25Å; A28-S32 PolarHBondContact O-N 2.66Å; A28-S32 PolarHBondContact O-OG 3.01Å
29Y80.8Confident72.8Confident20 Ų2076.5 Ų76.58%0.07840%0.403CS..Hα-helixtrans-59.7-45.3172.1174.5-88.3000112K4 L25 L26 W27 S32 H33 F39K4-Y29 HydrophobicContact CB-CE2 3.95Å; L25-Y29 WeakPolarHBondContact O-CB 3.35Å; L25-Y29 PolarHBondContact O-N 3.4Å; L26-Y29 PolarHBondContact O-N 2.99Å; W27-Y29 VanDerWaalsContact C-N 3.28Å; W27-Y29 PolarHBondContact O-N 3.22Å; Y29-S32 PolarHBondContact O-OG 3.26Å; Y29-S32 VanDerWaalsContact O-OG 3.14Å; Y29-H33 PolarHBondContact O-ND1 2.98Å; Y29-F39 AromaticContact CE1-CD2 3.94Å; Y29-F39 HydrophobicContact CE1-CD2 3.94Å
30T75.3Confident71.8Confident63 Ų6380.7 Ų80.739%0.38742%0.418SS..Hα-helixtrans-76-37.9-176.1-48.70000112.2L26 W27 S32 H33 F47L26-T30 PolarHBondContact O-N 3.33Å; L26-T30 PolarHBondContact O-OG1 2.81Å; W27-T30 PolarHBondContact O-N 2.93Å; T30-S32 VanDerWaalsContact C-N 3.33Å; T30-S32 PolarHBondContact O-N 3.25Å; T30-H33 PolarHBondContact O-N 3.46Å; T30-F47 HydrophobicContact CG2-CE1 4.12Å
31S74.8Confident71.1Confident73 Ų7383 Ų8351%0.5142%0.419SS..Hα-helixtrans-72.9-23.1-179-620000114W27 H33W27-S31 PolarHBondContact NE1-OG 3.36Å; W27-S31 WeakPolarHBondContact O-CB 3.44Å; W27-S31 PolarHBondContact O-N 3.36Å; W27-S31 PolarHBondContact O-OG 2.85Å; S31-H33 VanDerWaalsContact C-N 3.28Å
32S70.8Confident70.4Confident74 Ų7478.5 Ų78.552%0.51740%0.398SS..THydrogen-bonded Turntrans-83.7-0.9178.449.90000113.7A28 Y29 T30A28-S32 WeakPolarHBondContact O-CB 3.25Å; A28-S32 PolarHBondContact O-N 2.66Å; A28-S32 PolarHBondContact O-OG 3.01Å; Y29-S32 PolarHBondContact O-OG 3.26Å; Y29-S32 VanDerWaalsContact O-OG 3.14Å; T30-S32 VanDerWaalsContact C-N 3.33Å; T30-S32 PolarHBondContact O-N 3.25Å
33H62.2Low69.6Low50 Ų5078.9 Ų78.923%0.23140%0.401CS..  trans-138.2120.5-172.5-61.494.5000112.8K4 Y29 T30 S31 D35K4-H33 VanDerWaalsContact CE-CD2 3.45Å; K4-H33 WeakPolarHBondContact CE-CD2 3.33Å; K4-H33 WeakPolarHBondContact CE-NE2 3.23Å; K4-H33 PolarHBondContact NZ-CD2 3.4Å; K4-H33 PolarHBondContact NZ-NE2 3.2Å; Y29-H33 PolarHBondContact O-ND1 2.98Å; T30-H33 PolarHBondContact O-N 3.46Å; S31-H33 VanDerWaalsContact C-N 3.28Å; H33-D35 VanDerWaalsContact C-N 3.25Å
34D55.4Low68.8Low171 Ų17178.7 Ų78.791%0.91441%0.412SS*.  trans-77.9-8.7170.9-81.8-39.5000113.5K36D34-K36 PolarHBondContact O-N 2.96Å
35D55.2Low67.9Low110 Ų11081.5 Ų81.559%0.58842%0.423SS*.SBendtrans-66.2130.9175.6-68.2-36.2000108.4K4 H33 S37K4-D35 IonicContact NZ-OD2 2.79Å; H33-D35 VanDerWaalsContact C-N 3.25Å; D35-S37 PolarHBondContact O-N 3.2Å
36K52Low67Low200 Ų20081.7 Ų81.787%0.8743%0.427SS*.  trans-63.141.4167.7-64.2171.5177.9170.70111.6D34 T38D34-K36 PolarHBondContact O-N 2.96Å; K36-T38 VanDerWaalsContact C-N 3.28Å; K36-T38 PolarHBondContact O-N 3.04Å; K36-T38 PolarHBondContact O-OG1 2.87Å; K36-T38 VanDerWaalsContact O-OG1 3.06Å
37S50Low66.5Low54 Ų5483.5 Ų83.538%0.37844%0.435SS..  trans-62.8100172.8790000105.5D35 F39D35-S37 PolarHBondContact O-N 3.2Å; S37-F39 PolarHBondContact O-N 3.23Å
38T50.3Low66Low111 Ų11178.8 Ų78.868%0.68142%0.418SS*.  trans-75.583.4-173.2-7.40000103.4K36 E40K36-T38 VanDerWaalsContact C-N 3.28Å; K36-T38 PolarHBondContact O-N 3.04Å; K36-T38 PolarHBondContact O-OG1 2.87Å; K36-T38 VanDerWaalsContact O-OG1 3.06Å; T38-E40 HydrophobicContact CG2-CG 4.11Å; T38-E40 PolarHBondContact O-N 2.79Å
39F54.5Low65.5Low38 Ų3878.5 Ų78.517%0.16741%0.412CS..  trans-72.277.2166.6-140.9-77.5000105.9E8 Y29 S37 E41 T42 L49E8-F39 VanDerWaalsContact CD-CZ 3.43Å; E8-F39 HydrophobicContact CG-CE2 3.67Å; E8-F39 HydrophobicContact CG-CZ 3.51Å; E8-F39 WeakPolarHBondContact OE1-CE2 3.49Å; E8-F39 WeakPolarHBondContact OE1-CZ 3.45Å; Y29-F39 AromaticContact CE1-CD2 3.94Å; Y29-F39 HydrophobicContact CE1-CD2 3.94Å; S37-F39 PolarHBondContact O-N 3.23Å; F39-E41 HydrophobicContact CD1-CB 4.06Å; F39-E41 HydrophobicContact CE1-CB 3.97Å; F39-E41 PolarHBondContact O-N 2.9Å; F39-E41 VanDerWaalsContact O-N 3.1Å; F39-T42 WeakPolarHBondContact CD1-OG1 3.29Å; F39-T42 WeakPolarHBondContact CE1-OG1 3.3Å; F39-T42 PolarHBondContact O-N 3.06Å; F39-L49 HydrophobicContact CE1-CD1 4.13Å
40E58.3Low64.8Low141 Ų14178.2 Ų78.266%0.65941%0.412SS*.THydrogen-bonded Turntrans-60.9-19.6-177-64-170.6160.700111.1T38T38-E40 HydrophobicContact CG2-CG 4.11Å; T38-E40 PolarHBondContact O-N 2.79Å
41E66.9Low64.3Low88 Ų8877.7 Ų77.741%0.41141%0.409SS..THydrogen-bonded Turntrans-89.37.9175.8-60-179.4175.800113.7R12 F39 L49 L50R12-E41 IonicContact CZ-OE2 2.9Å; R12-E41 VanDerWaalsContact CZ-OE2 3.23Å; R12-E41 IonicContact NH1-OE2 2.82Å; R12-E41 PolarHBondContact NH1-OE2 2.81Å; R12-E41 IonicContact NH2-OE2 3.44Å; R12-E41 PolarHBondContact NH2-OE2 2.87Å; F39-E41 HydrophobicContact CD1-CB 4.06Å; F39-E41 HydrophobicContact CE1-CB 3.97Å; F39-E41 PolarHBondContact O-N 2.9Å; F39-E41 VanDerWaalsContact O-N 3.1Å; E41-L49 CarbonylContact O-C 3.52Å; E41-L49 WeakPolarHBondContact O-CA 3.35Å; E41-L50 WeakPolarHBondContact O-CB 3.25Å; E41-L50 PolarHBondContact O-N 2.82Å
42T72.1Confident63.4Low13 Ų1381.4 Ų81.48%0.0842%0.422CS..BIsolated β-bridgetrans-133138.8177-64.80000111.7L26 F39 F47 Q48L26-T42 HydrophobicContact CB-CG2 4.33Å; L26-T42 HydrophobicContact CD1-CG2 4.04Å; L26-T42 HydrophobicContact CD2-CG2 4.43Å; L26-T42 HydrophobicContact CG-CG2 4.5Å; F39-T42 WeakPolarHBondContact CD1-OG1 3.29Å; F39-T42 WeakPolarHBondContact CE1-OG1 3.3Å; F39-T42 PolarHBondContact O-N 3.06Å; T42-F47 HydrophobicContact CG2-CB 4.39Å; T42-Q48 WeakPolarHBondContact CA-O 3.4Å
43C69.6Low62.6Low12 Ų1285 Ų858%0.08144%0.436CS..  trans-69.7127.9175.8155.90000112.7Y45 C46 F47 Q48 I104C43-Y45 PolarHBondContact O-N 3.38Å; C43-Y45 PolarHBondContact SG-N 2.85Å; C43-C46 HydrophobicContact CB-CB 4.46Å; C43-C46 WeakPolarHBondContact CB-SG 3.45Å; C43-C46 WeakPolarHBondContact SG-CB 3.26Å; C43-C46 PolarHBondContact SG-N 3.33Å; C43-C46 CovalentContact SG-SG 2.08Å; C43-C46 PolarHBondContact SG-SG 3.37Å; C43-F47 VanDerWaalsContact O-CA 3.25Å; C43-F47 WeakPolarHBondContact O-CA 3.31Å; C43-F47 PolarHBondContact O-N 3.24Å; C43-Q48 PolarHBondContact N-O 3.46Å; C43-I104 HydrophobicContact CB-CD1 3.04Å; C43-I104 HydrophobicContact CB-CG1 4.24Å; C43-I104 VanDerWaalsContact SG-CD1 3.54Å
44P67.4Low62.2Low95 Ų9587.1 Ų87.162%0.61745%0.448SS*.THydrogen-bonded Turntrans-69.9-18-17727.4-34.7000113.8
45Y67.3Low62.2Low211 Ų21179.5 Ų79.583%0.82741%0.409SS*.THydrogen-bonded Turntrans-95.6-32.3-177.8-60.1-71.3000113.4C43C43-Y45 PolarHBondContact O-N 3.38Å; C43-Y45 PolarHBondContact SG-N 2.85Å
46C70.5Confident62.1Low39 Ų3981.9 Ų81.926%0.26441%0.41SS..THydrogen-bonded Turntrans-127.5-5.5-163.661.20000112.7R23 C43 Q48 I104R23-C46 WeakPolarHBondContact CD-O 3.11Å; C43-C46 HydrophobicContact CB-CB 4.46Å; C43-C46 WeakPolarHBondContact CB-SG 3.45Å; C43-C46 WeakPolarHBondContact SG-CB 3.26Å; C43-C46 PolarHBondContact SG-N 3.33Å; C43-C46 CovalentContact SG-SG 2.08Å; C43-C46 PolarHBondContact SG-SG 3.37Å; C46-Q48 PolarHBondContact O-N 3.41Å; C46-I104 WeakPolarHBondContact SG-CD1 3.48Å
47F72.8Confident62.1Low41 Ų4175.3 Ų75.318%0.1839%0.386CS..  trans54.321.1177.2-54.6-80.6000114L26 W27 T30 T42 C43L26-F47 HydrophobicContact CB-CB 4.07Å; L26-F47 WeakPolarHBondContact CD1-O 3.32Å; W27-F47 HydrophobicContact CB-CB 4.46Å; W27-F47 HydrophobicContact CB-CD1 4.17Å; W27-F47 HydrophobicContact CB-CD2 3.97Å; W27-F47 HydrophobicContact CB-CE1 4.46Å; W27-F47 HydrophobicContact CB-CE2 4.31Å; W27-F47 HydrophobicContact CB-CG 3.91Å; W27-F47 AromaticContact CD1-CD2 3.99Å; W27-F47 AromaticContact CD1-CE2 3.49Å; W27-F47 VanDerWaalsContact CD1-CE2 3.49Å; W27-F47 AromaticContact CD1-CZ 3.61Å; W27-F47 HydrophobicContact CG-CD2 4.39Å; W27-F47 HydrophobicContact CG-CE2 4.29Å; W27-F47 HydrophobicContact CG-CZ 4.47Å; T30-F47 HydrophobicContact CG2-CE1 4.12Å; T42-F47 HydrophobicContact CG2-CB 4.39Å; C43-F47 VanDerWaalsContact O-CA 3.25Å; C43-F47 WeakPolarHBondContact O-CA 3.31Å; C43-F47 PolarHBondContact O-N 3.24Å
48Q74.6Confident62.1Low22 Ų2281 Ų8110%0.10340%0.399CS..  trans-79.9136.7175.2-175.970.236.300109.2H15 T42 C43 C46 L50 I104H15-Q48 PolarHBondContact NE2-NE2 2.75Å; T42-Q48 WeakPolarHBondContact CA-O 3.4Å; C43-Q48 PolarHBondContact N-O 3.46Å; C46-Q48 PolarHBondContact O-N 3.41Å; Q48-L50 PolarHBondContact O-N 2.65Å; Q48-I104 HydrophobicContact CB-CD1 3.82Å; Q48-I104 HydrophobicContact CG-CD1 4.33Å
49L73.9Confident62.1Low22 Ų2280.7 Ų80.712%0.11539%0.393CS..BIsolated β-bridgetrans-66.2124.7173.3-158.974.9000109.8R12 H15 L26 F39 E41 V51R12-L49 HydrophobicContact CG-CD2 4.39Å; H15-L49 HydrophobicContact CB-CD2 4.44Å; H15-L49 VanDerWaalsContact CD2-CB 3.5Å; H15-L49 WeakPolarHBondContact CD2-CB 3.42Å; L26-L49 HydrophobicContact CD1-CD1 4.41Å; F39-L49 HydrophobicContact CE1-CD1 4.13Å; E41-L49 CarbonylContact O-C 3.52Å; E41-L49 WeakPolarHBondContact O-CA 3.35Å; L49-V51 HydrophobicContact CD2-CG2 4.02Å; L49-V51 HydrophobicContact CG-CG2 4.37Å; L49-V51 PolarHBondContact O-N 3.35Å
50L67.4Low62.1Low15 Ų1584.8 Ų84.88%0.07941%0.41CS..  trans-85.678.2175.5-63.8164.8000108.3E41 Q48 T102 I104E41-L50 WeakPolarHBondContact O-CB 3.25Å; E41-L50 PolarHBondContact O-N 2.82Å; Q48-L50 PolarHBondContact O-N 2.65Å; L50-T102 HydrophobicContact CD1-CG2 3.75Å; L50-T102 HydrophobicContact CD2-CG2 3.85Å; L50-T102 HydrophobicContact CG-CG2 4.26Å; L50-I104 HydrophobicContact CD2-CD1 3.69Å; L50-I104 HydrophobicContact CD2-CG1 3.23Å; L50-I104 HydrophobicContact CG-CG1 4.46Å
51V64.3Low62.1Low52 Ų5283.6 Ų83.632%0.31542%0.415SS..  trans-69.5135.9167.9-175.20000108.1L49 D53 N54 S55L49-V51 HydrophobicContact CD2-CG2 4.02Å; L49-V51 HydrophobicContact CG-CG2 4.37Å; L49-V51 PolarHBondContact O-N 3.35Å; V51-D53 PolarHBondContact O-N 3.44Å; V51-N54 PolarHBondContact O-N 3.38Å; V51-S55 PolarHBondContact O-N 3.13Å; V51-S55 PolarHBondContact O-OG 3.39Å
52L55.7Low62.2Low151 Ų15184 Ų8479%0.79142%0.416SS*.THydrogen-bonded Turntrans-51.5-30.8-174.8-114.7103.7000113.3
53D54.4Low62.2Low149 Ų14985.9 Ų85.980%0.79743%0.433SS*.THydrogen-bonded Turntrans-86.5-16.3-177-63.6-37000114.4V51V51-D53 PolarHBondContact O-N 3.44Å
54N54.4Low62.5Low94 Ų9496 Ų9650%0.50347%0.469SS..THydrogen-bonded Turntrans-110.80.4-177-71.2-33.2000113.7V51V51-N54 PolarHBondContact O-N 3.38Å
55S54.7Low63.3Low12 Ų1295.9 Ų95.98%0.08446%0.463CS..EExtended strand (participates in β ladder)trans-127.7122.6-178.9620000110.1V51 V57V51-S55 PolarHBondContact O-N 3.13Å; V51-S55 PolarHBondContact O-OG 3.39Å; S55-V57 PolarHBondContact O-N 3.02Å
56R52.4Low64.3Low160 Ų16088.7 Ų88.760%0.60444%0.441SS*.EExtended strand (participates in β ladder)trans-83.8108.4179.9-163.3-176.2-179.7-171.75.6107.3Y103R56-Y103 HydrophobicContact CB-CD2 4.19Å; R56-Y103 HydrophobicContact CB-CE2 3.41Å; R56-Y103 VanDerWaalsContact CB-CE2 3.41Å; R56-Y103 WeakPolarHBondContact CD-OH 3.45Å; R56-Y103 HydrophobicContact CG-CE2 3.87Å; R56-Y103 WeakPolarHBondContact CG-OH 3.06Å; R56-Y103 WeakPolarHBondContact O-CD1 3.45Å; R56-Y103 WeakPolarHBondContact O-CE1 3.18Å
57V51.6Low65.3Low62 Ų6291.5 Ų91.538%0.37646%0.458SS..EExtended strand (participates in β ladder)trans-82.6116-178.9177.10000109.2S55 L59 L100 T102S55-V57 PolarHBondContact O-N 3.02Å; V57-L59 HydrophobicContact CG1-CD2 4.34Å; V57-L59 HydrophobicContact CG1-CG 4.44Å; V57-L100 HydrophobicContact CB-CD2 4.22Å; V57-L100 HydrophobicContact CG1-CD1 3.97Å; V57-L100 HydrophobicContact CG1-CD2 3.4Å; V57-L100 VanDerWaalsContact CG1-CD2 3.4Å; V57-L100 HydrophobicContact CG1-CG 3.41Å; V57-L100 VanDerWaalsContact CG1-CG 3.41Å; V57-L100 HydrophobicContact CG2-CD2 3.9Å; V57-T102 HydrophobicContact CG2-CG2 4.11Å
58R49.9Very low66.2Low174 Ų17495.7 Ų95.766%0.65748%0.477SS*.EExtended strand (participates in β ladder)trans-103.8109166-172.9168.3-174.9157.90.7108.9K60 N101 Y103R58-K60 PolarHBondContact O-N 3.14Å; R58-N101 HydrophobicContact CB-CB 4.48Å; R58-N101 PolarHBondContact N-O 3.22Å; R58-N101 VanDerWaalsContact N-O 3.14Å; R58-N101 WeakPolarHBondContact O-CB 3.42Å; R58-N101 PolarHBondContact O-N 2.96Å; R58-Y103 HydrophobicContact CB-CE1 3.61Å
59L50.3Low67Low104 Ų10495.5 Ų95.555%0.54548%0.476SS..EExtended strand (participates in β ladder)trans-68.8114.3169.1-65.7173.9000108.1V57 P61 L100V57-L59 HydrophobicContact CG1-CD2 4.34Å; V57-L59 HydrophobicContact CG1-CG 4.44Å; L59-P61 WeakPolarHBondContact O-CD 3.45Å; L59-L100 HydrophobicContact CD2-CD1 4.07Å; L59-L100 HydrophobicContact CD2-CG 4.1Å
60K55.9Low67.8Low123 Ų12399 Ų9954%0.53549%0.492SS..PPolyproline II helixtrans-67.8124158.1-87.5-165.2175.3-178.40106.8R58 K62 S98 V99R58-K60 PolarHBondContact O-N 3.14Å; K60-K62 PolarHBondContact O-N 3.03Å; K60-S98 VanDerWaalsContact O-CA 3.25Å; K60-S98 WeakPolarHBondContact O-CA 3.34Å; K60-S98 WeakPolarHBondContact O-CB 3.18Å; K60-V99 PolarHBondContact N-O 3.23Å
61P57.5Low69.1Low117 Ų117105.6 Ų105.676%0.7652%0.52SS*.PPolyproline II helixtrans-56.4132.5176.2-2030.1000108.5L59L59-P61 WeakPolarHBondContact O-CD 3.45Å
62K69.9Low70.5Confident96 Ų96103.5 Ų103.542%0.41751%0.507SS..PPolyproline II helixtrans-50.9146.3166.5-179.6168.2177.3168.40108.5K60 R64 S96K60-K62 PolarHBondContact O-N 3.03Å; K62-R64 PolarHBondContact O-N 3.47Å; K62-S96 WeakPolarHBondContact CD-O 3.45Å; K62-S96 WeakPolarHBondContact CE-O 3.41Å; K62-S96 WeakPolarHBondContact CG-O 3.32Å
63A71.8Confident72.2Confident53 Ų5398.2 Ų98.244%0.43848%0.479SS..PPolyproline II helixtrans-49.4131.8176.300000109.2L65 F93A63-L65 PolarHBondContact O-N 2.99Å; A63-F93 HydrophobicContact CB-CD2 4.24Å; A63-F93 VanDerWaalsContact O-CE2 3.26Å; A63-F93 WeakPolarHBondContact O-CE2 3.25Å
64R76.3Confident74Confident223 Ų22395.1 Ų95.184%0.84246%0.463SS*.PPolyproline II helixtrans-60.8137.2-176.9-70.6-174.3174.6-173.7-1.2109.8K62 T66K62-R64 PolarHBondContact O-N 3.47Å; R64-T66 PolarHBondContact O-N 3.37Å
65L82.8Confident75.8Confident94 Ų9497.2 Ų97.249%0.49246%0.464SS..  trans-67101.1173-178.166.7000108.4A63 I69 Q70 L73 F93A63-L65 PolarHBondContact O-N 2.99Å; L65-I69 HydrophobicContact CD1-CB 4.31Å; L65-I69 HydrophobicContact CD1-CG2 3.84Å; L65-Q70 HydrophobicContact CD1-CB 4.18Å; L65-Q70 HydrophobicContact CD2-CB 4.48Å; L65-Q70 HydrophobicContact CD2-CG 4.44Å; L65-Q70 HydrophobicContact CG-CB 4.29Å; L65-L73 HydrophobicContact CD1-CD1 3.93Å; L65-F93 HydrophobicContact CB-CE2 4.41Å; L65-F93 HydrophobicContact CB-CZ 4.12Å; L65-F93 HydrophobicContact CD1-CE1 3.98Å; L65-F93 HydrophobicContact CD1-CE2 4.24Å; L65-F93 HydrophobicContact CD1-CZ 3.57Å; L65-F93 HydrophobicContact CG-CZ 4.46Å
66T88.4Confident77.5Confident60 Ų6099.9 Ų99.937%0.36848%0.475SS..  trans-83153.3175.2610000110.2R64 K68 I69 Q70R64-T66 PolarHBondContact O-N 3.37Å; T66-K68 PolarHBondContact O-N 3Å; T66-K68 VanDerWaalsContact O-N 3.1Å; T66-I69 PolarHBondContact O-N 3.33Å; T66-I69 WeakPolarHBondContact OG1-CD1 3.08Å; T66-I69 VanDerWaalsContact OG1-CG1 3.32Å; T66-I69 WeakPolarHBondContact OG1-CG1 3.48Å; T66-I69 PolarHBondContact OG1-N 2.96Å; T66-Q70 PolarHBondContact O-N 3.1Å
67P92.3Very high79.3Confident97 Ų9796 Ų9663%0.6348%0.477SS*.Hα-helixtrans-55.3-32.1177.7-2734.5000113.3Q70 K71P67-Q70 PolarHBondContact O-N 3.38Å; P67-K71 WeakPolarHBondContact O-CG 3.38Å; P67-K71 PolarHBondContact O-N 3.5Å
68K91.5Very high81.3Confident129 Ų129101.9 Ų101.956%0.56149%0.493SS*.Hα-helixtrans-64.9-47.4175.4-173.2172.8-177.4172.10111.8T66 Q70 K71 L72 M89T66-K68 PolarHBondContact O-N 3Å; T66-K68 VanDerWaalsContact O-N 3.1Å; K68-Q70 VanDerWaalsContact C-N 3.34Å; K68-K71 PolarHBondContact O-N 3.4Å; K68-L72 WeakPolarHBondContact O-CG 3.24Å; K68-L72 PolarHBondContact O-N 2.95Å; K68-L72 VanDerWaalsContact O-N 3.11Å; K68-M89 HydrophobicContact CD-SD 4.31Å; K68-M89 HydrophobicContact CG-SD 4.49Å
69I90.6Very high83.2Confident18 Ų18100.7 Ų100.79%0.09250%0.499CS..Hα-helixtrans-64.6-41.9177.1-67.6171000110.2L65 T66 K71 L72 L73 M89 F93L65-I69 HydrophobicContact CD1-CB 4.31Å; L65-I69 HydrophobicContact CD1-CG2 3.84Å; T66-I69 PolarHBondContact O-N 3.33Å; T66-I69 WeakPolarHBondContact OG1-CD1 3.08Å; T66-I69 VanDerWaalsContact OG1-CG1 3.32Å; T66-I69 WeakPolarHBondContact OG1-CG1 3.48Å; T66-I69 PolarHBondContact OG1-N 2.96Å; I69-K71 PolarHBondContact O-N 2.94Å; I69-L72 PolarHBondContact O-N 3.19Å; I69-L73 HydrophobicContact CG2-CD1 3.83Å; I69-L73 HydrophobicContact CG2-CG 4.22Å; I69-L73 WeakPolarHBondContact O-CG 3.39Å; I69-L73 PolarHBondContact O-N 2.71Å; I69-M89 HydrophobicContact CG1-CG 4.5Å; I69-M89 HydrophobicContact CG1-SD 4.4Å; I69-F93 HydrophobicContact CD1-CB 4.22Å; I69-F93 HydrophobicContact CD1-CD2 3.68Å; I69-F93 HydrophobicContact CD1-CE2 4.32Å; I69-F93 HydrophobicContact CD1-CG 4.12Å; I69-F93 HydrophobicContact CG2-CB 4.08Å; I69-F93 HydrophobicContact CG2-CD1 3.6Å; I69-F93 HydrophobicContact CG2-CD2 3.87Å; I69-F93 HydrophobicContact CG2-CE1 3.93Å; I69-F93 HydrophobicContact CG2-CE2 4.15Å; I69-F93 HydrophobicContact CG2-CG 3.57Å; I69-F93 HydrophobicContact CG2-CZ 4.19Å
70Q91.5Very high85.1Confident97 Ų97102.7 Ų102.745%0.45350%0.501SS..Hα-helixtrans-60.3-43.5177.2-168.6177.611.900112.1L65 T66 P67 K68 L72 L73 N74L65-Q70 HydrophobicContact CD1-CB 4.18Å; L65-Q70 HydrophobicContact CD2-CB 4.48Å; L65-Q70 HydrophobicContact CD2-CG 4.44Å; L65-Q70 HydrophobicContact CG-CB 4.29Å; T66-Q70 PolarHBondContact O-N 3.1Å; P67-Q70 PolarHBondContact O-N 3.38Å; K68-Q70 VanDerWaalsContact C-N 3.34Å; Q70-L72 PolarHBondContact O-N 2.96Å; Q70-L73 PolarHBondContact O-N 2.98Å; Q70-N74 WeakPolarHBondContact O-CB 3.45Å; Q70-N74 PolarHBondContact O-N 2.77Å; Q70-N74 PolarHBondContact O-ND2 3.04Å
71K94.2Very high86.7Confident152 Ų152103.8 Ų103.866%0.66152%0.518SS*.Hα-helixtrans-61.3-41.5174.3-77.5-178.6-179.9-1770112.6P67 K68 I69 N74 R75P67-K71 WeakPolarHBondContact O-CG 3.38Å; P67-K71 PolarHBondContact O-N 3.5Å; K68-K71 PolarHBondContact O-N 3.4Å; I69-K71 PolarHBondContact O-N 2.94Å; K71-N74 PolarHBondContact O-N 3.02Å; K71-R75 PolarHBondContact O-N 3.36Å
72L94.1Very high88.3Confident8 Ų899.8 Ų99.84%0.04249%0.49CS..Hα-helixtrans-68.1-40.6178.4-66.8176.8000112.1K68 I69 Q70 N74 R75 E76 L82 E86 M89 V90K68-L72 WeakPolarHBondContact O-CG 3.24Å; K68-L72 PolarHBondContact O-N 2.95Å; K68-L72 VanDerWaalsContact O-N 3.11Å; I69-L72 PolarHBondContact O-N 3.19Å; Q70-L72 PolarHBondContact O-N 2.96Å; L72-N74 VanDerWaalsContact C-N 3.35Å; L72-R75 PolarHBondContact O-N 2.82Å; L72-E76 WeakPolarHBondContact O-CB 3.13Å; L72-E76 PolarHBondContact O-N 3.44Å; L72-L82 HydrophobicContact CD2-CD2 4.01Å; L72-E86 HydrophobicContact CD1-CB 4.06Å; L72-E86 HydrophobicContact CD1-CG 4.16Å; L72-E86 HydrophobicContact CD2-CB 3.94Å; L72-E86 HydrophobicContact CD2-CG 3.78Å; L72-M89 HydrophobicContact CD1-SD 4.04Å; L72-V90 HydrophobicContact CB-CG2 3.54Å; L72-V90 HydrophobicContact CD1-CG2 4.12Å; L72-V90 HydrophobicContact CG-CG2 4.46Å
73L90.9Very high89.4Confident40 Ų4098 Ų9821%0.20949%0.489CS..Hα-helixtrans-62.1-42173.6-71.7169.5000111.6L65 I69 Q70 R75 E76 A77 V90 F93L65-L73 HydrophobicContact CD1-CD1 3.93Å; I69-L73 HydrophobicContact CG2-CD1 3.83Å; I69-L73 HydrophobicContact CG2-CG 4.22Å; I69-L73 WeakPolarHBondContact O-CG 3.39Å; I69-L73 PolarHBondContact O-N 2.71Å; Q70-L73 PolarHBondContact O-N 2.98Å; L73-R75 VanDerWaalsContact C-N 3.31Å; L73-R75 PolarHBondContact O-N 3.45Å; L73-E76 PolarHBondContact O-N 3.17Å; L73-A77 WeakPolarHBondContact O-CB 3.08Å; L73-A77 PolarHBondContact O-N 3.29Å; L73-V90 HydrophobicContact CD2-CG1 3.77Å; L73-F93 HydrophobicContact CD1-CD1 4.16Å; L73-F93 HydrophobicContact CD1-CE1 3.86Å
74N92.4Very high90.4Very high85 Ų85103.6 Ų103.646%0.45550%0.504SS..Hα-helixtrans-65.8-33.6176.8-70.2-15.2000112.5Q70 K71 L72 R78Q70-N74 WeakPolarHBondContact O-CB 3.45Å; Q70-N74 PolarHBondContact O-N 2.77Å; Q70-N74 PolarHBondContact O-ND2 3.04Å; K71-N74 PolarHBondContact O-N 3.02Å; L72-N74 VanDerWaalsContact C-N 3.35Å; N74-R78 WeakPolarHBondContact O-CG 3.39Å; N74-R78 PolarHBondContact O-N 3Å
75R92.6Very high91.2Very high137 Ų137101.3 Ų101.352%0.51750%0.5SS..Hα-helixtrans-69.3-45.1173.2-84.8-178.5166.1-177.5-5.3111.8K71 L72 L73 A77 R78 N79 Y80 L82K71-R75 PolarHBondContact O-N 3.36Å; L72-R75 PolarHBondContact O-N 2.82Å; L73-R75 VanDerWaalsContact C-N 3.31Å; L73-R75 PolarHBondContact O-N 3.45Å; R75-A77 VanDerWaalsContact C-N 3.33Å; R75-A77 PolarHBondContact O-N 3.28Å; R75-R78 CarbonylContact O-C 3.53Å; R75-R78 PolarHBondContact O-N 3.29Å; R75-R78 VanDerWaalsContact O-N 3.15Å; R75-N79 PolarHBondContact O-N 3.14Å; R75-Y80 PolarHBondContact O-N 2.73Å; R75-L82 HydrophobicContact CB-CD2 4.13Å
76E90.9Very high91.6Very high69 Ų6999.3 Ų99.332%0.32249%0.489SS..Hα-helixtrans-61.4-41.6176.4-166.2-172.8-16000111.4L72 L73 R78 N79 L82 V90 K94L72-E76 WeakPolarHBondContact O-CB 3.13Å; L72-E76 PolarHBondContact O-N 3.44Å; L73-E76 PolarHBondContact O-N 3.17Å; E76-R78 PolarHBondContact O-N 3.36Å; E76-N79 WeakPolarHBondContact O-CA 2.98Å; E76-N79 PolarHBondContact O-N 3.01Å; E76-L82 HydrophobicContact CB-CD1 4.17Å; E76-L82 HydrophobicContact CG-CD1 4.4Å; E76-V90 WeakPolarHBondContact OE2-CG1 3.02Å; E76-K94 IonicContact OE1-NZ 2.63Å; E76-K94 PolarHBondContact OE1-NZ 3.23Å; E76-K94 WeakPolarHBondContact OE2-CE 3.49Å; E76-K94 IonicContact OE2-NZ 3.23Å; E76-K94 PolarHBondContact OE2-NZ 3.46Å
77A90.7Very high91.8Very high79 Ų7998.5 Ų98.565%0.65349%0.488SS*.Hα-helixtrans-64.7-23.8176.400000113.6L73 R75 N79L73-A77 WeakPolarHBondContact O-CB 3.08Å; L73-A77 PolarHBondContact O-N 3.29Å; R75-A77 VanDerWaalsContact C-N 3.33Å; R75-A77 PolarHBondContact O-N 3.28Å; A77-N79 VanDerWaalsContact C-N 3.31Å
78R93.8Very high91.8Very high185 Ų18599.5 Ų99.570%0.69848%0.482SS*.THydrogen-bonded Turntrans-92.110.3172.9-67.2176.4-168.8-1491.4112.5N74 R75 E76 Y80N74-R78 WeakPolarHBondContact O-CG 3.39Å; N74-R78 PolarHBondContact O-N 3Å; R75-R78 CarbonylContact O-C 3.53Å; R75-R78 PolarHBondContact O-N 3.29Å; R75-R78 VanDerWaalsContact O-N 3.15Å; E76-R78 PolarHBondContact O-N 3.36Å; R78-Y80 VanDerWaalsContact C-N 3.28Å; R78-Y80 HydrophobicContact CB-CD2 3.59Å; R78-Y80 HydrophobicContact CB-CE2 3.64Å; R78-Y80 PolarHBondContact O-N 3.43Å
79N88.8Confident91.7Very high148 Ų14896.3 Ų96.379%0.79147%0.47SS*.THydrogen-bonded Turntrans60.826.6-179.1-57.5-51.4000115.2R75 E76 A77R75-N79 PolarHBondContact O-N 3.14Å; E76-N79 WeakPolarHBondContact O-CA 2.98Å; E76-N79 PolarHBondContact O-N 3.01Å; A77-N79 VanDerWaalsContact C-N 3.31Å
80Y89.4Confident91.7Very high147 Ų14795.5 Ų95.558%0.57647%0.466SS*.PPolyproline II helixtrans-74.7140.8171.8-74-82.8000111.5R75 R78 L82R75-Y80 PolarHBondContact O-N 2.73Å; R78-Y80 VanDerWaalsContact C-N 3.28Å; R78-Y80 HydrophobicContact CB-CD2 3.59Å; R78-Y80 HydrophobicContact CB-CE2 3.64Å; R78-Y80 PolarHBondContact O-N 3.43Å; Y80-L82 PolarHBondContact O-N 3.4Å
81T90.7Very high91.5Very high145 Ų14597.3 Ų97.389%0.8947%0.472SS*.PPolyproline II helixtrans-67.5118.7176-240000110.5
82L91.4Very high91.1Very high33 Ų3396.8 Ų96.817%0.17347%0.47CS..PPolyproline II helixtrans-88.2146.4174.4-64.3-178.2000110.5L72 R75 E76 Y80 E86 A87 V90L72-L82 HydrophobicContact CD2-CD2 4.01Å; R75-L82 HydrophobicContact CB-CD2 4.13Å; E76-L82 HydrophobicContact CB-CD1 4.17Å; E76-L82 HydrophobicContact CG-CD1 4.4Å; Y80-L82 PolarHBondContact O-N 3.4Å; L82-E86 HydrophobicContact CB-CB 4.17Å; L82-A87 HydrophobicContact CB-CB 4.3Å; L82-V90 HydrophobicContact CD1-CG2 4.04Å
83S93.2Very high90.7Very high59 Ų5997.5 Ų97.541%0.41347%0.473SS..PPolyproline II helixtrans-65.6158.8169.571.80000111.1K85 E86 A87S83-K85 PolarHBondContact O-N 3.3Å; S83-K85 VanDerWaalsContact O-N 3.15Å; S83-E86 WeakPolarHBondContact CB-OE2 3.5Å; S83-E86 PolarHBondContact N-OE2 2.95Å; S83-E86 PolarHBondContact O-N 3.37Å; S83-E86 VanDerWaalsContact OG-CD 3.31Å; S83-E86 VanDerWaalsContact OG-CG 3.28Å; S83-E86 WeakPolarHBondContact OG-CG 3.39Å; S83-E86 PolarHBondContact OG-N 3.38Å; S83-E86 PolarHBondContact OG-OE2 2.98Å; S83-A87 WeakPolarHBondContact O-CB 3.16Å; S83-A87 PolarHBondContact O-N 3.11Å
84F92.6Very high90.3Very high170 Ų170100.3 Ų100.375%0.74648%0.484SS*.Hα-helixtrans-53.7-39178.6-177.7-100.3000113.2K88F84-K88 VanDerWaalsContact O-CB 3.3Å; F84-K88 WeakPolarHBondContact O-CB 3.4Å; F84-K88 PolarHBondContact O-N 2.08Å
85K93.3Very high89.6Confident175 Ų175101.3 Ų101.376%0.76149%0.489SS*.Hα-helixtrans-67.8-41.1178.3-68.8-179.2-178.8175.30111.9S83 M89S83-K85 PolarHBondContact O-N 3.3Å; S83-K85 VanDerWaalsContact O-N 3.15Å; K85-M89 PolarHBondContact O-N 3.47Å
86E91.4Very high88.3Confident53 Ų5396.1 Ų96.125%0.24847%0.474CS..Hα-helixtrans-70.3-45178.6-70.5167.2139.200111.4L72 L82 S83 K88 M89 V90L72-E86 HydrophobicContact CD1-CB 4.06Å; L72-E86 HydrophobicContact CD1-CG 4.16Å; L72-E86 HydrophobicContact CD2-CB 3.94Å; L72-E86 HydrophobicContact CD2-CG 3.78Å; L82-E86 HydrophobicContact CB-CB 4.17Å; S83-E86 WeakPolarHBondContact CB-OE2 3.5Å; S83-E86 PolarHBondContact N-OE2 2.95Å; S83-E86 PolarHBondContact O-N 3.37Å; S83-E86 VanDerWaalsContact OG-CD 3.31Å; S83-E86 VanDerWaalsContact OG-CG 3.28Å; S83-E86 WeakPolarHBondContact OG-CG 3.39Å; S83-E86 PolarHBondContact OG-N 3.38Å; S83-E86 PolarHBondContact OG-OE2 2.98Å; E86-K88 VanDerWaalsContact C-N 3.31Å; E86-K88 PolarHBondContact O-N 3.08Å; E86-M89 WeakPolarHBondContact O-CB 3.25Å; E86-M89 PolarHBondContact O-N 3.06Å; E86-V90 WeakPolarHBondContact O-CG2 3.37Å; E86-V90 PolarHBondContact O-N 2.93Å
87A91.9Very high86.9Confident43 Ų43100.4 Ų100.436%0.35549%0.491SS..Hα-helixtrans-59.1-42.517500000111.4L82 S83 M89 V90 K91L82-A87 HydrophobicContact CB-CB 4.3Å; S83-A87 WeakPolarHBondContact O-CB 3.16Å; S83-A87 PolarHBondContact O-N 3.11Å; A87-M89 VanDerWaalsContact C-N 3.28Å; A87-M89 PolarHBondContact O-N 3.4Å; A87-V90 PolarHBondContact O-N 3.31Å; A87-K91 VanDerWaalsContact O-CB 3.23Å; A87-K91 WeakPolarHBondContact O-CB 3.34Å; A87-K91 PolarHBondContact O-N 3.42Å
88K92.9Very high85.2Confident117 Ų11799.7 Ų99.751%0.50948%0.481SS..Hα-helixtrans-60.8-36.8174.3-172.3173.5-174.11730112.3F84 E86 K92F84-K88 VanDerWaalsContact O-CB 3.3Å; F84-K88 WeakPolarHBondContact O-CB 3.4Å; F84-K88 PolarHBondContact O-N 2.08Å; E86-K88 VanDerWaalsContact C-N 3.31Å; E86-K88 PolarHBondContact O-N 3.08Å; K88-K92 WeakPolarHBondContact O-CB 3.14Å; K88-K92 VanDerWaalsContact O-CG 3.31Å; K88-K92 WeakPolarHBondContact O-CG 3.45Å; K88-K92 PolarHBondContact O-N 2.93Å
89M88.6Confident83.1Confident63 Ų6394.7 Ų94.731%0.3147%0.471SS..Hα-helixtrans-69.8-46.7178.1-171.1-177.2-54.400111.9K68 I69 L72 K85 E86 A87 K91 K92 F93K68-M89 HydrophobicContact CD-SD 4.31Å; K68-M89 HydrophobicContact CG-SD 4.49Å; I69-M89 HydrophobicContact CG1-CG 4.5Å; I69-M89 HydrophobicContact CG1-SD 4.4Å; L72-M89 HydrophobicContact CD1-SD 4.04Å; K85-M89 PolarHBondContact O-N 3.47Å; E86-M89 WeakPolarHBondContact O-CB 3.25Å; E86-M89 PolarHBondContact O-N 3.06Å; A87-M89 VanDerWaalsContact C-N 3.28Å; A87-M89 PolarHBondContact O-N 3.4Å; M89-K91 VanDerWaalsContact C-N 3.35Å; M89-K92 PolarHBondContact O-N 2.85Å; M89-F93 PolarHBondContact O-N 3.21Å
90V89.6Confident81.1Confident1 Ų191.6 Ų91.61%0.00645%0.454CS..Hα-helixtrans-62.7-44.1176.7173.70000110.7L72 L73 E76 L82 E86 A87 F93 K94L72-V90 HydrophobicContact CB-CG2 3.54Å; L72-V90 HydrophobicContact CD1-CG2 4.12Å; L72-V90 HydrophobicContact CG-CG2 4.46Å; L73-V90 HydrophobicContact CD2-CG1 3.77Å; E76-V90 WeakPolarHBondContact OE2-CG1 3.02Å; L82-V90 HydrophobicContact CD1-CG2 4.04Å; E86-V90 WeakPolarHBondContact O-CG2 3.37Å; E86-V90 PolarHBondContact O-N 2.93Å; A87-V90 PolarHBondContact O-N 3.31Å; V90-F93 PolarHBondContact O-N 3.5Å; V90-F93 VanDerWaalsContact O-N 3.14Å; V90-K94 HydrophobicContact CG1-CD 4.05Å; V90-K94 HydrophobicContact CG1-CG 4.33Å; V90-K94 WeakPolarHBondContact O-CG 3.47Å; V90-K94 PolarHBondContact O-N 3.16Å
91K88.5Confident79.2Confident134 Ų13487.9 Ų87.958%0.58344%0.444SS*.Hα-helixtrans-58.1-49.8175-176.3170.5-177.7177.40111.6A87 M89 F93 K94 D95A87-K91 VanDerWaalsContact O-CB 3.23Å; A87-K91 WeakPolarHBondContact O-CB 3.34Å; A87-K91 PolarHBondContact O-N 3.42Å; M89-K91 VanDerWaalsContact C-N 3.35Å; K91-F93 VanDerWaalsContact C-N 3.26Å; K91-F93 PolarHBondContact O-N 3.35Å; K91-K94 PolarHBondContact O-N 2.84Å; K91-D95 VanDerWaalsContact CG-OD2 3.25Å; K91-D95 WeakPolarHBondContact CG-OD2 3.44Å; K91-D95 VanDerWaalsContact O-CB 3.26Å; K91-D95 WeakPolarHBondContact O-CB 2.85Å; K91-D95 PolarHBondContact O-N 3.32Å
92K85.8Confident77.1Confident141 Ų14183.3 Ų83.361%0.61342%0.416SS*.Hα-helixtrans-55.8-38.7174.3-79.5-179.1177-168.30113.1K88 M89 S96K88-K92 WeakPolarHBondContact O-CB 3.14Å; K88-K92 VanDerWaalsContact O-CG 3.31Å; K88-K92 WeakPolarHBondContact O-CG 3.45Å; K88-K92 PolarHBondContact O-N 2.93Å; M89-K92 PolarHBondContact O-N 2.85Å; K92-S96 VanDerWaalsContact O-CB 3.29Å; K92-S96 WeakPolarHBondContact O-CB 3.45Å; K92-S96 PolarHBondContact O-N 3.44Å
93F85.2Confident75.2Confident24 Ų2485.9 Ų85.911%0.10542%0.424CS..Hα-helixtrans-71.7-41.6178.1177.7-97.5000112.7A63 L65 I69 L73 M89 V90 K91 S96A63-F93 HydrophobicContact CB-CD2 4.24Å; A63-F93 VanDerWaalsContact O-CE2 3.26Å; A63-F93 WeakPolarHBondContact O-CE2 3.25Å; L65-F93 HydrophobicContact CB-CE2 4.41Å; L65-F93 HydrophobicContact CB-CZ 4.12Å; L65-F93 HydrophobicContact CD1-CE1 3.98Å; L65-F93 HydrophobicContact CD1-CE2 4.24Å; L65-F93 HydrophobicContact CD1-CZ 3.57Å; L65-F93 HydrophobicContact CG-CZ 4.46Å; I69-F93 HydrophobicContact CD1-CB 4.22Å; I69-F93 HydrophobicContact CD1-CD2 3.68Å; I69-F93 HydrophobicContact CD1-CE2 4.32Å; I69-F93 HydrophobicContact CD1-CG 4.12Å; I69-F93 HydrophobicContact CG2-CB 4.08Å; I69-F93 HydrophobicContact CG2-CD1 3.6Å; I69-F93 HydrophobicContact CG2-CD2 3.87Å; I69-F93 HydrophobicContact CG2-CE1 3.93Å; I69-F93 HydrophobicContact CG2-CE2 4.15Å; I69-F93 HydrophobicContact CG2-CG 3.57Å; I69-F93 HydrophobicContact CG2-CZ 4.19Å; L73-F93 HydrophobicContact CD1-CD1 4.16Å; L73-F93 HydrophobicContact CD1-CE1 3.86Å; M89-F93 PolarHBondContact O-N 3.21Å; V90-F93 PolarHBondContact O-N 3.5Å; V90-F93 VanDerWaalsContact O-N 3.14Å; K91-F93 VanDerWaalsContact C-N 3.26Å; K91-F93 PolarHBondContact O-N 3.35Å; F93-S96 PolarHBondContact O-N 2.84Å; F93-S96 PolarHBondContact O-OG 3.42Å
94K82.8Confident73.3Confident99 Ų9984 Ų8443%0.4341%0.409SS..Hα-helixtrans-65.7-43.2175.5-72.5-179.7178179.80111.6E76 V90 K91 S96E76-K94 IonicContact OE1-NZ 2.63Å; E76-K94 PolarHBondContact OE1-NZ 3.23Å; E76-K94 WeakPolarHBondContact OE2-CE 3.49Å; E76-K94 IonicContact OE2-NZ 3.23Å; E76-K94 PolarHBondContact OE2-NZ 3.46Å; V90-K94 HydrophobicContact CG1-CD 4.05Å; V90-K94 HydrophobicContact CG1-CG 4.33Å; V90-K94 WeakPolarHBondContact O-CG 3.47Å; V90-K94 PolarHBondContact O-N 3.16Å; K91-K94 PolarHBondContact O-N 2.84Å; K94-S96 PolarHBondContact O-N 2.89Å
95D76.7Confident71Confident106 Ų10682.1 Ų82.157%0.56740%0.397SS*.Hα-helixtrans-70.5-23.2177-64.4-13.5000111.7K91 K97K91-D95 VanDerWaalsContact CG-OD2 3.25Å; K91-D95 WeakPolarHBondContact CG-OD2 3.44Å; K91-D95 VanDerWaalsContact O-CB 3.26Å; K91-D95 WeakPolarHBondContact O-CB 2.85Å; K91-D95 PolarHBondContact O-N 3.32Å; D95-K97 PolarHBondContact O-N 3.08Å
96S66.7Low68.7Low28 Ų2876.2 Ų76.220%0.19638%0.376CS..  trans-68.9101.1170.375.60000109.7K62 K92 F93 K94K62-S96 WeakPolarHBondContact CD-O 3.45Å; K62-S96 WeakPolarHBondContact CE-O 3.41Å; K62-S96 WeakPolarHBondContact CG-O 3.32Å; K92-S96 VanDerWaalsContact O-CB 3.29Å; K92-S96 WeakPolarHBondContact O-CB 3.45Å; K92-S96 PolarHBondContact O-N 3.44Å; F93-S96 PolarHBondContact O-N 2.84Å; F93-S96 PolarHBondContact O-OG 3.42Å; K94-S96 PolarHBondContact O-N 2.89Å
97K60.6Low66.6Low158 Ų15877 Ų7769%0.68738%0.384SS*.  trans-88.5156.7165-61.2-174.1-174.7-1750108.5D95 V99D95-K97 PolarHBondContact O-N 3.08Å; K97-V99 VanDerWaalsContact C-N 3.26Å; K97-V99 PolarHBondContact O-N 2.98Å
98S54.5Low64.4Low64 Ų6478.1 Ų78.145%0.44839%0.389SS..  trans-60.2100.6158.646.80000106.4K60 L100K60-S98 VanDerWaalsContact O-CA 3.25Å; K60-S98 WeakPolarHBondContact O-CA 3.34Å; K60-S98 WeakPolarHBondContact O-CB 3.18Å; S98-L100 PolarHBondContact O-N 3.39Å
99V51.3Low62.2Low80 Ų8075.9 Ų75.949%0.48538%0.382SS..  trans-72.7117.7-178.4-178.10000106.4K60 K97 N101K60-V99 PolarHBondContact N-O 3.23Å; K97-V99 VanDerWaalsContact C-N 3.26Å; K97-V99 PolarHBondContact O-N 2.98Å; V99-N101 VanDerWaalsContact C-N 3.34Å; V99-N101 PolarHBondContact O-N 3.19Å
100L46.5Very low60.3Low83 Ų8381 Ų8144%0.43540%0.4SS..EExtended strand (participates in β ladder)trans-70.995.8171.6-147.4138.6000105.6V57 L59 S98 T102V57-L100 HydrophobicContact CB-CD2 4.22Å; V57-L100 HydrophobicContact CG1-CD1 3.97Å; V57-L100 HydrophobicContact CG1-CD2 3.4Å; V57-L100 VanDerWaalsContact CG1-CD2 3.4Å; V57-L100 HydrophobicContact CG1-CG 3.41Å; V57-L100 VanDerWaalsContact CG1-CG 3.41Å; V57-L100 HydrophobicContact CG2-CD2 3.9Å; L59-L100 HydrophobicContact CD2-CD1 4.07Å; L59-L100 HydrophobicContact CD2-CG 4.1Å; S98-L100 PolarHBondContact O-N 3.39Å; L100-T102 HydrophobicContact CD2-CG2 3.49Å; L100-T102 VanDerWaalsContact CD2-CG2 3.49Å; L100-T102 PolarHBondContact O-N 3.12Å; L100-T102 PolarHBondContact O-OG1 3.1Å
101N48.1Very low58.4Low70 Ų7085.7 Ų85.737%0.37442%0.424SS..EExtended strand (participates in β ladder)trans-7688.3170.2-94.218.3000106.1R58 V99 Y103R58-N101 HydrophobicContact CB-CB 4.48Å; R58-N101 PolarHBondContact N-O 3.22Å; R58-N101 VanDerWaalsContact N-O 3.14Å; R58-N101 WeakPolarHBondContact O-CB 3.42Å; R58-N101 PolarHBondContact O-N 2.96Å; V99-N101 VanDerWaalsContact C-N 3.34Å; V99-N101 PolarHBondContact O-N 3.19Å; N101-Y103 WeakPolarHBondContact O-CD1 3.33Å; N101-Y103 PolarHBondContact O-N 3.12Å
102T47.9Very low56.6Low49 Ų4984.6 Ų84.630%0.30142%0.424SS..EExtended strand (participates in β ladder)trans-79.6103169.57.80000108.2L50 V57 L100L50-T102 HydrophobicContact CD1-CG2 3.75Å; L50-T102 HydrophobicContact CD2-CG2 3.85Å; L50-T102 HydrophobicContact CG-CG2 4.26Å; V57-T102 HydrophobicContact CG2-CG2 4.11Å; L100-T102 HydrophobicContact CD2-CG2 3.49Å; L100-T102 VanDerWaalsContact CD2-CG2 3.49Å; L100-T102 PolarHBondContact O-N 3.12Å; L100-T102 PolarHBondContact O-OG1 3.1Å
103Y50.9Low54.9Low86 Ų8682.5 Ų82.534%0.33742%0.419SS..EExtended strand (participates in β ladder)trans-97.4124.7164.345.1-77.6000107R56 R58 N101 W105R56-Y103 HydrophobicContact CB-CD2 4.19Å; R56-Y103 HydrophobicContact CB-CE2 3.41Å; R56-Y103 VanDerWaalsContact CB-CE2 3.41Å; R56-Y103 WeakPolarHBondContact CD-OH 3.45Å; R56-Y103 HydrophobicContact CG-CE2 3.87Å; R56-Y103 WeakPolarHBondContact CG-OH 3.06Å; R56-Y103 WeakPolarHBondContact O-CD1 3.45Å; R56-Y103 WeakPolarHBondContact O-CE1 3.18Å; R58-Y103 HydrophobicContact CB-CE1 3.61Å; N101-Y103 WeakPolarHBondContact O-CD1 3.33Å; N101-Y103 PolarHBondContact O-N 3.12Å; Y103-W105 PolarHBondContact O-N 2.9Å
104I52.7Low53.3Low19 Ų1987.6 Ų87.610%0.09744%0.441CS..EExtended strand (participates in β ladder)trans-74.9120.7178.2-78169000108.9C43 C46 Q48 L50 T106 V107C43-I104 HydrophobicContact CB-CD1 3.04Å; C43-I104 HydrophobicContact CB-CG1 4.24Å; C43-I104 VanDerWaalsContact SG-CD1 3.54Å; C46-I104 WeakPolarHBondContact SG-CD1 3.48Å; Q48-I104 HydrophobicContact CB-CD1 3.82Å; Q48-I104 HydrophobicContact CG-CD1 4.33Å; L50-I104 HydrophobicContact CD2-CD1 3.69Å; L50-I104 HydrophobicContact CD2-CG1 3.23Å; L50-I104 HydrophobicContact CG-CG1 4.46Å; I104-T106 HydrophobicContact CG2-CG2 4.18Å; I104-T106 VanDerWaalsContact CG2-N 3.33Å; I104-T106 WeakPolarHBondContact CG2-OG1 3.47Å; I104-T106 PolarHBondContact O-N 3.31Å; I104-V107 HydrophobicContact CG2-CG2 4.05Å
105W45.4Very low51.9Low132 Ų13288 Ų8850%0.544%0.444SS..Hα-helixtrans-66.7-28.6174.3-118.546.8000112.1Y103 V107 S108 I109Y103-W105 PolarHBondContact O-N 2.9Å; W105-V107 VanDerWaalsContact C-N 3.33Å; W105-V107 PolarHBondContact O-N 3.36Å; W105-S108 PolarHBondContact O-N 3.44Å; W105-I109 HydrophobicContact CD2-CD1 4.18Å; W105-I109 HydrophobicContact CE3-CD1 3.36Å; W105-I109 HydrophobicContact CE3-CG1 4.24Å; W105-I109 HydrophobicContact CZ3-CD1 3.73Å; W105-I109 PolarHBondContact O-N 3.06Å
106T45Very low50.4Low50 Ų5087.8 Ų87.831%0.30744%0.44SS..Hα-helixtrans-63.4-33.6-177.370.10000113.4I104 Y110I104-T106 HydrophobicContact CG2-CG2 4.18Å; I104-T106 VanDerWaalsContact CG2-N 3.33Å; I104-T106 WeakPolarHBondContact CG2-OG1 3.47Å; I104-T106 PolarHBondContact O-N 3.31Å; T106-Y110 VanDerWaalsContact O-CB 3.32Å; T106-Y110 WeakPolarHBondContact O-CB 3.22Å; T106-Y110 PolarHBondContact O-N 2.78Å
107V46Very low49.6Very low69 Ų6992.1 Ų92.142%0.41846%0.457SS..Hα-helixtrans-71.3-42.3176.9-1780000110.5I104 W105 Y110 L111I104-V107 HydrophobicContact CG2-CG2 4.05Å; W105-V107 VanDerWaalsContact C-N 3.33Å; W105-V107 PolarHBondContact O-N 3.36Å; V107-Y110 PolarHBondContact O-N 3.48Å; V107-L111 HydrophobicContact CG1-CD1 3.79Å; V107-L111 HydrophobicContact CG1-CG 4.33Å; V107-L111 WeakPolarHBondContact O-CB 3.37Å; V107-L111 VanDerWaalsContact O-CG 3.22Å; V107-L111 WeakPolarHBondContact O-CG 3.29Å; V107-L111 PolarHBondContact O-N 2.92Å
108S46.8Very low49.3Very low67 Ų6789.4 Ų89.447%0.46945%0.447SS..Hα-helixtrans-65.4-41.1176.1-67.50000112.3W105 L112W105-S108 PolarHBondContact O-N 3.44Å; S108-L112 VanDerWaalsContact O-CB 3.25Å; S108-L112 WeakPolarHBondContact O-CB 3.25Å; S108-L112 WeakPolarHBondContact O-CD1 3.23Å; S108-L112 VanDerWaalsContact O-CG 3.29Å; S108-L112 WeakPolarHBondContact O-CG 3.32Å; S108-L112 PolarHBondContact O-N 2.89Å
109I46.6Very low49.2Very low70 Ų7091 Ų9136%0.35945%0.45SS..Hα-helixtrans-67.9-43.5175.9-71.4173.5000111.4W105 L111 L112 L113W105-I109 HydrophobicContact CD2-CD1 4.18Å; W105-I109 HydrophobicContact CE3-CD1 3.36Å; W105-I109 HydrophobicContact CE3-CG1 4.24Å; W105-I109 HydrophobicContact CZ3-CD1 3.73Å; W105-I109 PolarHBondContact O-N 3.06Å; I109-L111 VanDerWaalsContact C-N 3.35Å; I109-L111 PolarHBondContact O-N 3.48Å; I109-L112 PolarHBondContact O-N 2.93Å; I109-L113 HydrophobicContact CG2-CD1 3.58Å; I109-L113 HydrophobicContact CG2-CG 4.13Å; I109-L113 VanDerWaalsContact O-CB 3.27Å; I109-L113 WeakPolarHBondContact O-CB 3.17Å; I109-L113 VanDerWaalsContact O-CG 3.3Å; I109-L113 WeakPolarHBondContact O-CG 3.44Å; I109-L113 PolarHBondContact O-N 2.94Å
110Y49.2Very low49.3Very low172 Ų17292.5 Ų92.568%0.67545%0.45SS*.Hα-helixtrans-63.8-40.3177.2-108.3-87.7000112.1T106 V107 K114T106-Y110 VanDerWaalsContact O-CB 3.32Å; T106-Y110 WeakPolarHBondContact O-CB 3.22Å; T106-Y110 PolarHBondContact O-N 2.78Å; V107-Y110 PolarHBondContact O-N 3.48Å; Y110-K114 WeakPolarHBondContact O-CB 3.32Å; Y110-K114 PolarHBondContact O-N 2.86Å
111L48.8Very low49.8Very low98 Ų9894 Ų9451%0.51346%0.455SS..Hα-helixtrans-66.2-45175.6-72.4170.2000111.1V107 I109 L113 K114 E115V107-L111 HydrophobicContact CG1-CD1 3.79Å; V107-L111 HydrophobicContact CG1-CG 4.33Å; V107-L111 WeakPolarHBondContact O-CB 3.37Å; V107-L111 VanDerWaalsContact O-CG 3.22Å; V107-L111 WeakPolarHBondContact O-CG 3.29Å; V107-L111 PolarHBondContact O-N 2.92Å; I109-L111 VanDerWaalsContact C-N 3.35Å; I109-L111 PolarHBondContact O-N 3.48Å; L111-L113 PolarHBondContact O-N 2.88Å; L111-K114 PolarHBondContact O-N 3.13Å; L111-E115 WeakPolarHBondContact O-CB 3.29Å; L111-E115 WeakPolarHBondContact O-CG 3.3Å; L111-E115 PolarHBondContact O-N 3.48Å
112L49.9Very low50.2Low112 Ų11294.7 Ų94.759%0.58646%0.462SS*.Hα-helixtrans-62.5-41175.4-82.1161.8000112.6S108 I109 H116S108-L112 VanDerWaalsContact O-CB 3.25Å; S108-L112 WeakPolarHBondContact O-CB 3.25Å; S108-L112 WeakPolarHBondContact O-CD1 3.23Å; S108-L112 VanDerWaalsContact O-CG 3.29Å; S108-L112 WeakPolarHBondContact O-CG 3.32Å; S108-L112 PolarHBondContact O-N 2.89Å; I109-L112 PolarHBondContact O-N 2.93Å; L112-H116 VanDerWaalsContact O-CB 3.23Å; L112-H116 WeakPolarHBondContact O-CB 3.27Å; L112-H116 PolarHBondContact O-N 3.37Å
113L51.1Low50.4Low96 Ų9697.1 Ų97.150%0.50347%0.472SS..Hα-helixtrans-67.4-39.6175.8-78.2169.9000111.4I109 L111 H116 Q117I109-L113 HydrophobicContact CG2-CD1 3.58Å; I109-L113 HydrophobicContact CG2-CG 4.13Å; I109-L113 VanDerWaalsContact O-CB 3.27Å; I109-L113 WeakPolarHBondContact O-CB 3.17Å; I109-L113 VanDerWaalsContact O-CG 3.3Å; I109-L113 WeakPolarHBondContact O-CG 3.44Å; I109-L113 PolarHBondContact O-N 2.94Å; L111-L113 PolarHBondContact O-N 2.88Å; L113-H116 PolarHBondContact O-N 3.27Å; L113-Q117 VanDerWaalsContact O-CB 3.29Å; L113-Q117 WeakPolarHBondContact O-CB 3.42Å; L113-Q117 PolarHBondContact O-N 3.37Å
114K51.3Low50.5Low131 Ų13198 Ų9857%0.5748%0.483SS*.Hα-helixtrans-68.4-42.2178.4-164.8176.5-174.6-177.90111.7Y110 L111 Q117 Q118Y110-K114 WeakPolarHBondContact O-CB 3.32Å; Y110-K114 PolarHBondContact O-N 2.86Å; L111-K114 PolarHBondContact O-N 3.13Å; K114-Q117 PolarHBondContact O-N 3.16Å; K114-Q118 WeakPolarHBondContact O-CB 3.43Å; K114-Q118 WeakPolarHBondContact O-CG 3.13Å; K114-Q118 PolarHBondContact O-N 2.84Å
115E54.4Low50.5Low109 Ų109100.9 Ų100.951%0.50950%0.504SS..Hα-helixtrans-61.9-43.6171.5-77.8178.3176.100111.2L111 Q117 Q118 N119L111-E115 WeakPolarHBondContact O-CB 3.29Å; L111-E115 WeakPolarHBondContact O-CG 3.3Å; L111-E115 PolarHBondContact O-N 3.48Å; E115-Q117 VanDerWaalsContact C-N 3.33Å; E115-Q117 PolarHBondContact O-N 2.85Å; E115-Q118 PolarHBondContact O-N 3.33Å; E115-N119 VanDerWaalsContact O-CB 3.26Å; E115-N119 WeakPolarHBondContact O-CB 3.43Å; E115-N119 PolarHBondContact O-N 3.44Å; E115-N119 PolarHBondContact O-ND2 3.49Å; E115-N119 VanDerWaalsContact O-ND2 3.16Å
116H44Very low51Low100 Ų10099.1 Ų99.146%0.46351%0.508SS..Hα-helixtrans-65.6-34.8176.9-175.6-121.6000112.8L112 L113 K120L112-H116 VanDerWaalsContact O-CB 3.23Å; L112-H116 WeakPolarHBondContact O-CB 3.27Å; L112-H116 PolarHBondContact O-N 3.37Å; L113-H116 PolarHBondContact O-N 3.27Å; H116-K120 WeakPolarHBondContact CE1-CE 3.45Å; H116-K120 PolarHBondContact CE1-NZ 2.88Å; H116-K120 WeakPolarHBondContact NE2-CE 3.35Å; H116-K120 WeakPolarHBondContact O-CB 3.26Å; H116-K120 VanDerWaalsContact O-CG 3.28Å; H116-K120 WeakPolarHBondContact O-CG 3.38Å; H116-K120 PolarHBondContact O-N 3.03Å
117Q50.7Low51.3Low119 Ų119103.2 Ų103.256%0.55652%0.522SS*.Hα-helixtrans-72.1-42.7176.5-165.3161.3-7.500111.6L113 K114 E115 N119 K120 E121L113-Q117 VanDerWaalsContact O-CB 3.29Å; L113-Q117 WeakPolarHBondContact O-CB 3.42Å; L113-Q117 PolarHBondContact O-N 3.37Å; K114-Q117 PolarHBondContact O-N 3.16Å; E115-Q117 VanDerWaalsContact C-N 3.33Å; E115-Q117 PolarHBondContact O-N 2.85Å; Q117-N119 PolarHBondContact O-N 3.43Å; Q117-K120 PolarHBondContact O-N 3.48Å; Q117-E121 WeakPolarHBondContact O-CG 3.28Å; Q117-E121 PolarHBondContact O-N 3.06Å
118Q54.7Low51.6Low102 Ų102106.1 Ų106.148%0.47754%0.535SS..Hα-helixtrans-62.5-39.5172.1-75.3176.8-28.300112.6K114 E115 K120 E121 T122K114-Q118 WeakPolarHBondContact O-CB 3.43Å; K114-Q118 WeakPolarHBondContact O-CG 3.13Å; K114-Q118 PolarHBondContact O-N 2.84Å; E115-Q118 PolarHBondContact O-N 3.33Å; Q118-K120 VanDerWaalsContact C-N 3.33Å; Q118-K120 PolarHBondContact O-N 3.18Å; Q118-E121 PolarHBondContact O-N 3.2Å; Q118-T122 WeakPolarHBondContact O-CG2 3.39Å; Q118-T122 PolarHBondContact O-N 2.9Å; Q118-T122 PolarHBondContact O-OG1 2.97Å
119N51.7Low51.8Low98 Ų98108.9 Ų108.952%0.52455%0.549SS..Hα-helixtrans-68.9-30.6176-71.8-23000112.4E115 Q117 T122 L123E115-N119 VanDerWaalsContact O-CB 3.26Å; E115-N119 WeakPolarHBondContact O-CB 3.43Å; E115-N119 PolarHBondContact O-N 3.44Å; E115-N119 PolarHBondContact O-ND2 3.49Å; E115-N119 VanDerWaalsContact O-ND2 3.16Å; Q117-N119 PolarHBondContact O-N 3.43Å; N119-T122 WeakPolarHBondContact CA-OG1 3.32Å; N119-T122 PolarHBondContact O-OG1 3.45Å; N119-L123 WeakPolarHBondContact O-CB 3.37Å; N119-L123 PolarHBondContact O-N 3.21Å
120K53.5Low51.5Low110 Ų110114.4 Ų114.448%0.47859%0.586SS.*Hα-helixtrans-73.5-40.9173.7-80.6175.3170.3-177.30112.5H116 Q117 Q118 L123 L124H116-K120 WeakPolarHBondContact CE1-CE 3.45Å; H116-K120 PolarHBondContact CE1-NZ 2.88Å; H116-K120 WeakPolarHBondContact NE2-CE 3.35Å; H116-K120 WeakPolarHBondContact O-CB 3.26Å; H116-K120 VanDerWaalsContact O-CG 3.28Å; H116-K120 WeakPolarHBondContact O-CG 3.38Å; H116-K120 PolarHBondContact O-N 3.03Å; Q117-K120 PolarHBondContact O-N 3.48Å; Q118-K120 VanDerWaalsContact C-N 3.33Å; Q118-K120 PolarHBondContact O-N 3.18Å; K120-L123 PolarHBondContact O-N 3.01Å; K120-L124 WeakPolarHBondContact O-CB 3.39Å; K120-L124 WeakPolarHBondContact O-CD1 3.43Å; K120-L124 WeakPolarHBondContact O-CG 3.49Å; K120-L124 PolarHBondContact O-N 2.91Å
121E57.5Low51.7Low116 Ų116111.6 Ų111.654%0.54258%0.581SS.*Hα-helixtrans-65.2-39.8177.5-73.2169.9-169.900111.6Q117 Q118 L124 S125Q117-E121 WeakPolarHBondContact O-CG 3.28Å; Q117-E121 PolarHBondContact O-N 3.06Å; Q118-E121 PolarHBondContact O-N 3.2Å; E121-L124 PolarHBondContact O-N 3.22Å; E121-S125 WeakPolarHBondContact O-CB 3.34Å; E121-S125 PolarHBondContact O-N 3.4Å
122T55Low51.8Low83 Ų83112.3 Ų112.351%0.50959%0.585SS.*Hα-helixtrans-68.7-36.9174.8480000113.1Q118 N119 T126Q118-T122 WeakPolarHBondContact O-CG2 3.39Å; Q118-T122 PolarHBondContact O-N 2.9Å; Q118-T122 PolarHBondContact O-OG1 2.97Å; N119-T122 WeakPolarHBondContact CA-OG1 3.32Å; N119-T122 PolarHBondContact O-OG1 3.45Å; T122-T126 WeakPolarHBondContact O-CG2 3.37Å; T122-T126 PolarHBondContact O-N 3Å; T122-T126 PolarHBondContact O-OG1 2.96Å
123L52.9Low51.9Low100 Ų100112.3 Ų112.352%0.52459%0.585SS.*Hα-helixtrans-69.2-29.9173.2-97160.4000114N119 K120 T126 K127N119-L123 WeakPolarHBondContact O-CB 3.37Å; N119-L123 PolarHBondContact O-N 3.21Å; K120-L123 PolarHBondContact O-N 3.01Å; L123-T126 WeakPolarHBondContact CA-OG1 3.49Å; L123-T126 PolarHBondContact O-OG1 3.4Å; L123-K127 WeakPolarHBondContact O-CG 3.49Å
124L54.1Low52Low106 Ų106113.2 Ų113.256%0.55559%0.59SS**Hα-helixtrans-79.7-37.3175.7-75.7162000111.2K120 E121 T126 K127 N128K120-L124 WeakPolarHBondContact O-CB 3.39Å; K120-L124 WeakPolarHBondContact O-CD1 3.43Å; K120-L124 WeakPolarHBondContact O-CG 3.49Å; K120-L124 PolarHBondContact O-N 2.91Å; E121-L124 PolarHBondContact O-N 3.22Å; L124-T126 VanDerWaalsContact C-N 3.28Å; L124-T126 PolarHBondContact O-N 3.36Å; L124-K127 PolarHBondContact O-N 3.28Å; L124-N128 PolarHBondContact O-ND2 3.38Å
125S51.6Low52Low78 Ų78112.1 Ų112.155%0.54559%0.591SS.*Hα-helixtrans-65.2-28.5175.5-172.40000113.5E121E121-S125 WeakPolarHBondContact O-CB 3.34Å; E121-S125 PolarHBondContact O-N 3.4Å
126T55.2Low51.8Low95 Ų95112.3 Ų112.358%0.58360%0.596SS**Hα-helixtrans-85-19.717944.20000113.6T122 L123 L124T122-T126 WeakPolarHBondContact O-CG2 3.37Å; T122-T126 PolarHBondContact O-N 3Å; T122-T126 PolarHBondContact O-OG1 2.96Å; L123-T126 WeakPolarHBondContact CA-OG1 3.49Å; L123-T126 PolarHBondContact O-OG1 3.4Å; L124-T126 VanDerWaalsContact C-N 3.28Å; L124-T126 PolarHBondContact O-N 3.36Å
127K52.7Low52.4Low137 Ų137113.2 Ų113.260%0.59661%0.606SS**Hα-helixtrans-82.3-20.7176.2-73.4176.2-178.9-176.30113.8L123 L124L123-K127 WeakPolarHBondContact O-CG 3.49Å; L124-K127 PolarHBondContact O-N 3.28Å
128N51.3Low52.5Low130 Ų130112.8 Ų112.870%0.69561%0.61SS**THydrogen-bonded Turntrans-92.39.2-177.4-62.6-21.1000113.7L124L124-N128 PolarHBondContact O-ND2 3.38Å
129V51.3Low52.3Low125 Ų125113.7 Ų113.776%0.75862%0.621SS**THydrogen-bonded Turntrans-115.821.2-179.3-173.20000111.7
130T41.4Very low52.4Low186 Ų186115.1 Ų115.1100%1.14163%0.63SS**  trans-127.80170.40.10000108.9

Retrieved 130 of 130 residues in 196.7 ms (Link to these results)