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Adenosylhomocysteinase

Catalyzes the hydrolysis of S-adenosyl-L-homocysteine to form adenosine and homocysteine. Binds copper ions.

AlphaFold DB (H9ES33), UniProt , Accession A0A096NUT0, Species PAPAN (Papio anubis, Olive baboon), Gene AHCY, Length 432 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.7Low87.8Confident209 Ų20995.2 Ų95.2100%1.0352%0.518SS*.  036.70-62.2-172.6-16000111.6
2S52.3Low88.7Confident111 Ų11192.3 Ų92.378%0.77650%0.501SS*.  trans-87.9-10-177.155.50000114.8
3D79.3Confident89.5Confident149 Ų14989.5 Ų89.580%0.79751%0.507SS*.SBendtrans-115.411-166.1-61.4-2000113.9
4K93.8Very high90.1Very high80 Ų8086.6 Ų86.635%0.34849%0.489SS..  trans-81.8128.9176.7-167.3-170.8-179.1-162.30110Y100 Q116 Y119K4-Y100 WeakPolarHBondContact CE-OH 3.48Å; K4-Q116 WeakPolarHBondContact CE-O 3.47Å; K4-Q116 PolarHBondContact NZ-O 2.97Å; K4-Y119 PolarHBondContact NZ-O 3.36Å
5L97.2Very high90.7Very high85 Ų8581.5 Ų81.545%0.44546%0.461SS..  trans-62.4137.5173.4-69.3174.3000110.5Y7 K8 Y100 W112L5-Y7 VanDerWaalsContact C-N 3.29Å; L5-Y7 PolarHBondContact O-N 3.38Å; L5-K8 HydrophobicContact CD1-CD 4.42Å; L5-Y100 HydrophobicContact CB-CE1 4.33Å; L5-Y100 WeakPolarHBondContact O-CE1 3.44Å; L5-Y100 PolarHBondContact O-OH 3.31Å; L5-W112 HydrophobicContact CD1-CH2 4.07Å; L5-W112 HydrophobicContact CD1-CZ2 4.2Å
6P97.6Very high91.2Very high87 Ų8780.8 Ų80.857%0.56547%0.469SS*.SBendtrans-68.2-29.5178.427.7-34.7000112.8P98P6-P98 WeakPolarHBondContact O-CA 3.21Å; P6-P98 VanDerWaalsContact O-CB 3.28Å; P6-P98 WeakPolarHBondContact O-CB 3.43Å
7Y98.7Very high91.6Very high87 Ų8784.9 Ų84.934%0.34148%0.475SS..  trans-165.6167.3174.556.1-99.7000108.3L5 V9 I12 A93 V99L5-Y7 VanDerWaalsContact C-N 3.29Å; L5-Y7 PolarHBondContact O-N 3.38Å; Y7-V9 HydrophobicContact CD2-CG2 4.27Å; Y7-V9 HydrophobicContact CE2-CG2 4.41Å; Y7-I12 HydrophobicContact CE2-CD1 4.16Å; Y7-A93 HydrophobicContact CD1-CB 4.15Å; Y7-A93 HydrophobicContact CD2-CB 3.78Å; Y7-A93 HydrophobicContact CE2-CB 4.19Å; Y7-A93 HydrophobicContact CG-CB 3.77Å; Y7-V99 CarbonylContact C-O 3.5Å; Y7-V99 WeakPolarHBondContact CA-O 3.39Å; Y7-V99 VanDerWaalsContact CB-O 3.31Å; Y7-V99 WeakPolarHBondContact CB-O 3.3Å
8K98.8Very high92Very high75 Ų7580.2 Ų80.233%0.32645%0.448SS..BIsolated β-bridgetrans-144.8115.1167.4-169179.2173.7-1610109.3L5 V99 Y100 A101 W102 W112L5-K8 HydrophobicContact CD1-CD 4.42Å; K8-V99 PolarHBondContact N-O 3.25Å; K8-Y100 HydrophobicContact CB-CD1 4.03Å; K8-Y100 WeakPolarHBondContact O-CA 3.41Å; K8-A101 PolarHBondContact O-N 3Å; K8-W102 HydrophobicContact CB-CZ3 4.08Å; K8-W102 HydrophobicContact CD-CE3 4.44Å; K8-W102 HydrophobicContact CD-CH2 3.69Å; K8-W102 HydrophobicContact CD-CZ3 3.55Å; K8-W102 HydrophobicContact CG-CE3 4.19Å; K8-W102 HydrophobicContact CG-CH2 4.32Å; K8-W102 HydrophobicContact CG-CZ3 3.68Å; K8-W112 HydrophobicContact CB-CH2 4.08Å; K8-W112 HydrophobicContact CB-CZ3 4.16Å; K8-W112 HydrophobicContact CD-CH2 3.64Å; K8-W112 HydrophobicContact CD-CZ3 3.61Å; K8-W112 HydrophobicContact CG-CH2 4.5Å; K8-W112 HydrophobicContact CG-CZ3 4.49Å
9V98.8Very high92.4Very high22 Ų2280.1 Ų80.113%0.13344%0.44CS..  trans-135.2160.7-179.6-60.30000109.2Y7 I12 A89 A93 V99Y7-V9 HydrophobicContact CD2-CG2 4.27Å; Y7-V9 HydrophobicContact CE2-CG2 4.41Å; V9-I12 HydrophobicContact CG2-CB 4.46Å; V9-I12 HydrophobicContact CG2-CD1 4.33Å; V9-A89 HydrophobicContact CB-CB 4.4Å; V9-A89 HydrophobicContact CG1-CB 3.87Å; V9-A93 HydrophobicContact CG1-CB 3.98Å; V9-A93 HydrophobicContact CG2-CB 4.32Å; V9-V99 HydrophobicContact CG1-CG1 3.78Å
10A98.6Very high92.7Very high61 Ų6183.3 Ų83.350%0.50445%0.45SS..SBendtrans-59.3-53.3-177.800000113D86 W102A10-D86 HydrophobicContact CB-CB 4.02Å; A10-W102 HydrophobicContact CB-CB 3.91Å
11D98.7Very high93Very high81 Ų8180.3 Ų80.343%0.43344%0.437SS..  trans-149.6111.4-179.9178.413.6000111.2G13 L14 A90D11-G13 PolarHBondContact O-N 3.36Å; D11-G13 WeakPolarHBondContact OD1-CA 3.17Å; D11-G13 PolarHBondContact OD1-N 3.19Å; D11-L14 HydrophobicContact CB-CD1 4.09Å; D11-L14 HydrophobicContact CB-CG 4.01Å; D11-L14 PolarHBondContact O-N 3.3Å; D11-A90 VanDerWaalsContact O-CB 3.28Å; D11-A90 WeakPolarHBondContact O-CB 3.22Å
12I98.7Very high95.2Very high61 Ų6170.4 Ų70.431%0.31339%0.388SS..G310 helixtrans-65.7-19.8177.4-164.261.7000112.7Y7 V9 L14 A15 A90 A93 K94Y7-I12 HydrophobicContact CE2-CD1 4.16Å; V9-I12 HydrophobicContact CG2-CB 4.46Å; V9-I12 HydrophobicContact CG2-CD1 4.33Å; I12-L14 PolarHBondContact O-N 3.38Å; I12-A15 WeakPolarHBondContact O-CB 3.42Å; I12-A15 PolarHBondContact O-N 3.01Å; I12-A90 WeakPolarHBondContact CD1-O 3.49Å; I12-A93 HydrophobicContact CD1-CB 3.63Å; I12-K94 HydrophobicContact CD1-CB 4.19Å
13G98.7Very high97.4Very high56 Ų5669.2 Ų69.258%0.57737%0.373SS*.G310 helixtrans-62.5-21.1175.400000113.6D11 A15D11-G13 PolarHBondContact O-N 3.36Å; D11-G13 WeakPolarHBondContact OD1-CA 3.17Å; D11-G13 PolarHBondContact OD1-N 3.19Å; G13-A15 PolarHBondContact O-N 2.96Å
14L98.8Very high98.4Very high48 Ų4868 Ų6825%0.25137%0.365SS..G310 helixtrans-75.9-8.6178.6-57.3177000113.8D11 I12 A16 W17 G18 D86 H87 A90D11-L14 HydrophobicContact CB-CD1 4.09Å; D11-L14 HydrophobicContact CB-CG 4.01Å; D11-L14 PolarHBondContact O-N 3.3Å; I12-L14 PolarHBondContact O-N 3.38Å; L14-A16 VanDerWaalsContact C-N 3.26Å; L14-A16 PolarHBondContact O-N 3.49Å; L14-A16 VanDerWaalsContact O-N 3.14Å; L14-W17 HydrophobicContact CD2-CE3 4.21Å; L14-W17 PolarHBondContact O-N 2.92Å; L14-G18 PolarHBondContact O-N 3.23Å; L14-D86 HydrophobicContact CD1-CB 3.86Å; L14-H87 HydrophobicContact CB-CB 3.92Å; L14-H87 HydrophobicContact CD1-CB 4.49Å; L14-A90 HydrophobicContact CB-CB 3.97Å
15A98.8Very high98.6Very high10 Ų1064.3 Ų64.38%0.08335%0.35CS..Hα-helixtrans-56.7-35-172.500000114.1I12 G13 G18 R19 A90 K94I12-A15 WeakPolarHBondContact O-CB 3.42Å; I12-A15 PolarHBondContact O-N 3.01Å; G13-A15 PolarHBondContact O-N 2.96Å; A15-G18 PolarHBondContact O-N 3.05Å; A15-R19 PolarHBondContact O-N 2.95Å; A15-A90 HydrophobicContact CB-CB 4.16Å; A15-A90 WeakPolarHBondContact CB-O 3.45Å; A15-K94 HydrophobicContact CB-CB 3.61Å; A15-K94 HydrophobicContact CB-CG 3.9Å
16A98.6Very high98.7Very high70 Ų7062.4 Ų62.458%0.57934%0.338SS*.Hα-helixtrans-69.9-34.2179.100000112.6L14 K20L14-A16 VanDerWaalsContact C-N 3.26Å; L14-A16 PolarHBondContact O-N 3.49Å; L14-A16 VanDerWaalsContact O-N 3.14Å; A16-K20 WeakPolarHBondContact O-CG 3.27Å; A16-K20 PolarHBondContact O-N 3.04Å
17W98.8Very high98.7Very high151 Ų15163.7 Ų63.757%0.57234%0.341SS*.Hα-helixtrans-71.6-45.8170.9168.627.2000110.3L14 R19 K20 A21 H87L14-W17 HydrophobicContact CD2-CE3 4.21Å; L14-W17 PolarHBondContact O-N 2.92Å; W17-R19 VanDerWaalsContact C-N 3.32Å; W17-R19 PolarHBondContact O-N 3.34Å; W17-K20 WeakPolarHBondContact O-CB 3.43Å; W17-K20 PolarHBondContact O-N 3.38Å; W17-K20 VanDerWaalsContact O-N 3.07Å; W17-A21 PolarHBondContact O-N 3.32Å; W17-H87 HydrophobicContact CD2-CB 3.83Å; W17-H87 AromaticContact CD2-CD2 3.88Å; W17-H87 AromaticContact CD2-CG 3.91Å; W17-H87 AromaticContact CE2-CD2 3.63Å; W17-H87 AromaticContact CE2-CG 3.93Å; W17-H87 HydrophobicContact CE3-CB 3.58Å; W17-H87 AromaticContact CE3-CG 3.96Å; W17-H87 HydrophobicContact CG-CB 4.36Å; W17-H87 HydrophobicContact CH2-CB 4.46Å; W17-H87 AromaticContact CH2-ND1 3.97Å; W17-H87 AromaticContact CZ2-CD2 3.94Å; W17-H87 AromaticContact CZ2-NE2 3.97Å; W17-H87 HydrophobicContact CZ3-CB 3.93Å; W17-H87 AromaticContact NE1-CD2 3.81Å
18G98.8Very high98.7Very high0 Ų063 Ų630%034%0.34CS..Hα-helixtrans-47.3-53.3172.700000112.5L14 A15 K20 A21 L22 H87L14-G18 PolarHBondContact O-N 3.23Å; A15-G18 PolarHBondContact O-N 3.05Å; G18-K20 VanDerWaalsContact C-N 3.33Å; G18-K20 PolarHBondContact O-N 3.46Å; G18-A21 WeakPolarHBondContact O-CB 3.45Å; G18-A21 PolarHBondContact O-N 3.24Å; G18-L22 WeakPolarHBondContact O-CD1 3.25Å; G18-L22 PolarHBondContact O-N 3.24Å; G18-H87 WeakPolarHBondContact CA-O 3.23Å
19R98.8Very high98.7Very high78 Ų7859.4 Ų59.429%0.29433%0.325SS..Hα-helixtrans-55.7-45.1178.3-178.455.458.9-170.9-0.7112.7A15 W17 A21 L22 D23 E65A15-R19 PolarHBondContact O-N 2.95Å; W17-R19 VanDerWaalsContact C-N 3.32Å; W17-R19 PolarHBondContact O-N 3.34Å; R19-A21 VanDerWaalsContact C-N 3.28Å; R19-A21 PolarHBondContact O-N 3.43Å; R19-L22 WeakPolarHBondContact O-CB 3.44Å; R19-L22 PolarHBondContact O-N 2.95Å; R19-D23 WeakPolarHBondContact CD-OD1 3.44Å; R19-D23 PolarHBondContact O-N 3.49Å; R19-E65 IonicContact CZ-OE1 2.77Å; R19-E65 IonicContact CZ-OE2 3.88Å; R19-E65 IonicContact NH1-OE1 2.91Å; R19-E65 PolarHBondContact NH1-OE1 2.97Å; R19-E65 VanDerWaalsContact NH1-OE1 3.12Å; R19-E65 IonicContact NH1-OE2 3.34Å; R19-E65 PolarHBondContact NH1-OE2 3.33Å; R19-E65 IonicContact NH2-OE1 2.67Å; R19-E65 PolarHBondContact NH2-OE1 3.34Å; R19-E65 IonicContact NH2-OE2 3.12Å
20K98.8Very high98.7Very high145 Ų14559.7 Ų59.763%0.6333%0.327SS*.Hα-helixtrans-61.6-36.2177.3-68173.6-177-179.50112.5A16 W17 G18 I24A16-K20 WeakPolarHBondContact O-CG 3.27Å; A16-K20 PolarHBondContact O-N 3.04Å; W17-K20 WeakPolarHBondContact O-CB 3.43Å; W17-K20 PolarHBondContact O-N 3.38Å; W17-K20 VanDerWaalsContact O-N 3.07Å; G18-K20 VanDerWaalsContact C-N 3.33Å; G18-K20 PolarHBondContact O-N 3.46Å; K20-I24 WeakPolarHBondContact O-CG1 3.4Å; K20-I24 PolarHBondContact O-N 2.97Å
21A98.6Very high98.7Very high21 Ų2156.8 Ų56.817%0.17430%0.303CS..Hα-helixtrans-69.6-41.3175.700000111.4W17 G18 R19 D23 I24 A25 V58W17-A21 PolarHBondContact O-N 3.32Å; G18-A21 WeakPolarHBondContact O-CB 3.45Å; G18-A21 PolarHBondContact O-N 3.24Å; R19-A21 VanDerWaalsContact C-N 3.28Å; R19-A21 PolarHBondContact O-N 3.43Å; A21-D23 PolarHBondContact O-N 3.35Å; A21-I24 PolarHBondContact O-N 2.9Å; A21-A25 PolarHBondContact O-N 2.95Å; A21-V58 HydrophobicContact CB-CG1 4.28Å; A21-V58 HydrophobicContact CB-CG2 3.75Å
22L98.7Very high98.7Very high0 Ų052.9 Ų52.90%028%0.282CS..Hα-helixtrans-58.9-45.1172.9-87.567.5000111.2G18 R19 I24 A25 E26 V58 A61 V62 A91G18-L22 WeakPolarHBondContact O-CD1 3.25Å; G18-L22 PolarHBondContact O-N 3.24Å; R19-L22 WeakPolarHBondContact O-CB 3.44Å; R19-L22 PolarHBondContact O-N 2.95Å; L22-I24 PolarHBondContact O-N 3.48Å; L22-A25 PolarHBondContact O-N 3.26Å; L22-E26 WeakPolarHBondContact O-CG 3.29Å; L22-E26 PolarHBondContact O-N 3.48Å; L22-V58 HydrophobicContact CD1-CG1 4.21Å; L22-V58 HydrophobicContact CD1-CG2 4.38Å; L22-A61 HydrophobicContact CD1-CB 3.84Å; L22-A61 HydrophobicContact CD2-CB 3.83Å; L22-A61 HydrophobicContact CG-CB 3.95Å; L22-V62 HydrophobicContact CG-CG2 4.43Å; L22-A91 HydrophobicContact CD1-CB 4.39Å; L22-A91 HydrophobicContact CD2-CB 4.46Å
23D98.6Very high98.7Very high86 Ų8652.2 Ų52.246%0.4628%0.278SS..Hα-helixtrans-58.4-36.7179.4-61.3-22000112R19 A21R19-D23 WeakPolarHBondContact CD-OD1 3.44Å; R19-D23 PolarHBondContact O-N 3.49Å; A21-D23 PolarHBondContact O-N 3.35Å
24I98.7Very high98.7Very high124 Ų12453.3 Ų53.364%0.63627%0.265SS*.Hα-helixtrans-71.2-46.5174.7-65.8168000110.4K20 A21 L22 E26 N27 E28K20-I24 WeakPolarHBondContact O-CG1 3.4Å; K20-I24 PolarHBondContact O-N 2.97Å; A21-I24 PolarHBondContact O-N 2.9Å; L22-I24 PolarHBondContact O-N 3.48Å; I24-E26 PolarHBondContact O-N 3.27Å; I24-N27 WeakPolarHBondContact O-CB 3.38Å; I24-N27 PolarHBondContact O-N 2.81Å; I24-E28 PolarHBondContact O-N 2.75Å
25A98.6Very high98.7Very high3 Ų351.2 Ų51.23%0.02525%0.254CS..Hα-helixtrans-63.3-40.2-178.400000112.3A21 L22 N27 E28 M29 V58 V62A21-A25 PolarHBondContact O-N 2.95Å; L22-A25 PolarHBondContact O-N 3.26Å; A25-N27 PolarHBondContact O-N 3.15Å; A25-E28 CarbonylContact O-C 3.56Å; A25-E28 WeakPolarHBondContact O-CA 3.35Å; A25-E28 PolarHBondContact O-N 3.08Å; A25-M29 HydrophobicContact CB-SD 4.43Å; A25-M29 WeakPolarHBondContact O-CG 3.34Å; A25-M29 PolarHBondContact O-N 3.26Å; A25-V58 HydrophobicContact CB-CG1 3.48Å; A25-V58 VanDerWaalsContact CB-CG1 3.48Å; A25-V62 HydrophobicContact CB-CG2 4.12Å
26E98.8Very high98.7Very high45 Ų4552.5 Ų52.521%0.2126%0.257CS..Hα-helixtrans-54.4-39176-76-173.1171.600112.1L22 I24 E28 M29 M33 R36 V62L22-E26 WeakPolarHBondContact O-CG 3.29Å; L22-E26 PolarHBondContact O-N 3.48Å; I24-E26 PolarHBondContact O-N 3.27Å; E26-E28 VanDerWaalsContact C-N 3.27Å; E26-E28 PolarHBondContact O-N 2.75Å; E26-M29 PolarHBondContact O-N 3.01Å; E26-M29 VanDerWaalsContact O-N 3.16Å; E26-M33 HydrophobicContact CB-CE 4.27Å; E26-M33 HydrophobicContact CB-SD 3.87Å; E26-M33 HydrophobicContact CG-CE 3.92Å; E26-M33 HydrophobicContact CG-SD 3.97Å; E26-M33 VanDerWaalsContact O-CG 3.27Å; E26-M33 WeakPolarHBondContact O-CG 3.36Å; E26-R36 IonicContact OE1-CZ 3.04Å; E26-R36 IonicContact OE1-NH1 3.83Å; E26-R36 PolarHBondContact OE1-NH1 3.16Å; E26-R36 IonicContact OE1-NH2 3.16Å; E26-R36 PolarHBondContact OE1-NH2 2.95Å; E26-R36 IonicContact OE2-NH1 2.83Å; E26-V62 HydrophobicContact CG-CG1 3.96Å; E26-V62 HydrophobicContact CG-CG2 3.98Å
27N98.5Very high98.7Very high114 Ų11457 Ų5761%0.6127%0.265SS*.Hα-helixtrans-70-23.8177.2-167.137.8000113.1I24 A25 K401I24-N27 WeakPolarHBondContact O-CB 3.38Å; I24-N27 PolarHBondContact O-N 2.81Å; A25-N27 PolarHBondContact O-N 3.15Å; N27-K401 WeakPolarHBondContact O-CE 3.19Å; N27-K401 PolarHBondContact O-NZ 3.16Å
28E98.8Very high98.6Very high72 Ų7254 Ų5434%0.33626%0.258SS..Hα-helixtrans-92.7-2.5173.2-72.2-58.1113.500113.1I24 A25 E26 P30 F356 K401I24-E28 PolarHBondContact O-N 2.75Å; A25-E28 CarbonylContact O-C 3.56Å; A25-E28 WeakPolarHBondContact O-CA 3.35Å; A25-E28 PolarHBondContact O-N 3.08Å; E26-E28 VanDerWaalsContact C-N 3.27Å; E26-E28 PolarHBondContact O-N 2.75Å; E28-P30 WeakPolarHBondContact O-CD 3.2Å; E28-F356 VanDerWaalsContact O-CA 3.24Å; E28-F356 WeakPolarHBondContact O-CA 3.39Å; E28-F356 WeakPolarHBondContact O-CD2 3.43Å; E28-K401 WeakPolarHBondContact OE1-CE 3.36Å; E28-K401 IonicContact OE1-NZ 2.69Å; E28-K401 PolarHBondContact OE1-NZ 2.85Å
29M98.8Very high98.6Very high0 Ų057.9 Ų57.90%027%0.273CS..  trans-114.561-177.7-63-179.692.300113.2A25 E26 G31 L32 M33 E59 V62 S355 M358 S359 F362A25-M29 HydrophobicContact CB-SD 4.43Å; A25-M29 WeakPolarHBondContact O-CG 3.34Å; A25-M29 PolarHBondContact O-N 3.26Å; E26-M29 PolarHBondContact O-N 3.01Å; E26-M29 VanDerWaalsContact O-N 3.16Å; M29-G31 VanDerWaalsContact C-N 3.25Å; M29-G31 PolarHBondContact O-N 3.05Å; M29-L32 HydrophobicContact CB-CB 4.45Å; M29-L32 HydrophobicContact CE-CD1 3.45Å; M29-L32 VanDerWaalsContact CE-CD1 3.45Å; M29-L32 HydrophobicContact CE-CG 4.38Å; M29-L32 PolarHBondContact O-N 2.89Å; M29-L32 HydrophobicContact SD-CD1 4.22Å; M29-M33 WeakPolarHBondContact O-CG 3.42Å; M29-M33 PolarHBondContact O-N 3.38Å; M29-M33 VanDerWaalsContact O-N 3.08Å; M29-E59 HydrophobicContact CE-CB 4.01Å; M29-E59 HydrophobicContact CE-CG 4.41Å; M29-E59 HydrophobicContact SD-CB 4.41Å; M29-V62 HydrophobicContact CE-CB 4.42Å; M29-V62 HydrophobicContact SD-CB 3.64Å; M29-V62 HydrophobicContact SD-CG1 3.79Å; M29-V62 HydrophobicContact SD-CG2 3.82Å; M29-S355 WeakPolarHBondContact CG-O 3.21Å; M29-M358 HydrophobicContact CE-CB 4.21Å; M29-S359 VanDerWaalsContact C-OG 3.24Å; M29-S359 VanDerWaalsContact CA-OG 3.31Å; M29-S359 WeakPolarHBondContact CA-OG 3.39Å; M29-F362 HydrophobicContact CE-CD2 3.88Å
30P98.8Very high98.5Very high27 Ų2756 Ų5618%0.17527%0.272CS..Hα-helixtrans-63.5-29-171.628.8-37.3000113.3E28 R34 F356 H398 K401E28-P30 WeakPolarHBondContact O-CD 3.2Å; P30-R34 WeakPolarHBondContact O-CB 3.39Å; P30-R34 PolarHBondContact O-N 3Å; P30-F356 HydrophobicContact CG-CE2 4.17Å; P30-H398 HydrophobicContact CG-CB 4.44Å; P30-K401 HydrophobicContact CB-CB 4.32Å; P30-K401 HydrophobicContact CG-CB 3.92Å; P30-K401 HydrophobicContact CG-CG 4.35Å
31G98.8Very high98.5Very high0 Ų054 Ų540%028%0.282CS..Hα-helixtrans-62.8-52.2176.200000111.9M29 M33 R34 M35 S359 T363M29-G31 VanDerWaalsContact C-N 3.25Å; M29-G31 PolarHBondContact O-N 3.05Å; G31-M33 VanDerWaalsContact C-N 3.34Å; G31-M33 PolarHBondContact O-N 3.19Å; G31-R34 PolarHBondContact O-N 2.92Å; G31-M35 WeakPolarHBondContact O-CG 3.39Å; G31-M35 PolarHBondContact O-N 3.15Å; G31-S359 PolarHBondContact N-OG 3.12Å; G31-T363 VanDerWaalsContact CA-OG1 3.31Å; G31-T363 WeakPolarHBondContact CA-OG1 3.27Å
32L98.8Very high98.5Very high0 Ų056.8 Ų56.80%030%0.301CS..Hα-helixtrans-63-40.8176.5-70-173.6000112.1M29 R34 M35 R36 V62 L63 T66 F362 T363 V366M29-L32 HydrophobicContact CB-CB 4.45Å; M29-L32 HydrophobicContact CE-CD1 3.45Å; M29-L32 VanDerWaalsContact CE-CD1 3.45Å; M29-L32 HydrophobicContact CE-CG 4.38Å; M29-L32 PolarHBondContact O-N 2.89Å; M29-L32 HydrophobicContact SD-CD1 4.22Å; L32-R34 VanDerWaalsContact C-N 3.3Å; L32-R34 PolarHBondContact O-N 3.43Å; L32-M35 WeakPolarHBondContact O-CB 3.45Å; L32-M35 PolarHBondContact O-N 3.23Å; L32-M35 VanDerWaalsContact O-N 3.12Å; L32-R36 PolarHBondContact O-N 3.17Å; L32-V62 HydrophobicContact CB-CG1 4.41Å; L32-V62 HydrophobicContact CD1-CB 4.25Å; L32-V62 HydrophobicContact CD1-CG1 3.78Å; L32-L63 HydrophobicContact CD1-CB 4.3Å; L32-T66 HydrophobicContact CD2-CG2 4.41Å; L32-F362 HydrophobicContact CD1-CB 3.94Å; L32-F362 HydrophobicContact CD1-CD2 4.48Å; L32-F362 HydrophobicContact CD2-CB 3.93Å; L32-F362 HydrophobicContact CG-CB 4.23Å; L32-T363 PolarHBondContact N-OG1 2.95Å; L32-V366 HydrophobicContact CD2-CG2 3.87Å
33M98.9Very high98.5Very high46 Ų4661.2 Ų61.223%0.22732%0.32CS..Hα-helixtrans-63.1-38.3178-65.6-51.598.600111.7E26 M29 G31 R36 E37 V62E26-M33 HydrophobicContact CB-CE 4.27Å; E26-M33 HydrophobicContact CB-SD 3.87Å; E26-M33 HydrophobicContact CG-CE 3.92Å; E26-M33 HydrophobicContact CG-SD 3.97Å; E26-M33 VanDerWaalsContact O-CG 3.27Å; E26-M33 WeakPolarHBondContact O-CG 3.36Å; M29-M33 WeakPolarHBondContact O-CG 3.42Å; M29-M33 PolarHBondContact O-N 3.38Å; M29-M33 VanDerWaalsContact O-N 3.08Å; G31-M33 VanDerWaalsContact C-N 3.34Å; G31-M33 PolarHBondContact O-N 3.19Å; M33-R36 WeakPolarHBondContact O-CB 3.27Å; M33-R36 PolarHBondContact O-N 2.86Å; M33-E37 PolarHBondContact O-N 3.16Å; M33-V62 HydrophobicContact CE-CG1 3.42Å; M33-V62 VanDerWaalsContact CE-CG1 3.42Å
34R98.6Very high98.5Very high79 Ų7958.4 Ų58.430%0.29831%0.306SS..Hα-helixtrans-64.5-38.2172.8-176172.4177166.5-12.5112.3P30 G31 L32 R36 E37 Q38 E396P30-R34 WeakPolarHBondContact O-CB 3.39Å; P30-R34 PolarHBondContact O-N 3Å; G31-R34 PolarHBondContact O-N 2.92Å; L32-R34 VanDerWaalsContact C-N 3.3Å; L32-R34 PolarHBondContact O-N 3.43Å; R34-R36 VanDerWaalsContact C-N 3.32Å; R34-R36 PolarHBondContact O-N 3.47Å; R34-E37 PolarHBondContact O-N 3.27Å; R34-Q38 HydrophobicContact CG-CG 4.27Å; R34-Q38 VanDerWaalsContact NE-NE2 3.18Å; R34-Q38 WeakPolarHBondContact O-CB 3.31Å; R34-Q38 VanDerWaalsContact O-CG 3.3Å; R34-Q38 WeakPolarHBondContact O-CG 3.39Å; R34-Q38 PolarHBondContact O-N 3.23Å; R34-E396 IonicContact CZ-OE2 3.95Å; R34-E396 IonicContact NH1-OE2 3.45Å; R34-E396 PolarHBondContact NH1-OE2 3.04Å; R34-E396 IonicContact NH2-OE2 3.53Å; R34-E396 PolarHBondContact NH2-OE2 3.12Å
35M98.6Very high98.5Very high4 Ų452.5 Ų52.52%0.0228%0.276CS..Hα-helixtrans-61.2-42.6173.5-62.3-55.2-74.400111.3G31 L32 Q38 Y39 T66 T363 V366 M367 I370G31-M35 WeakPolarHBondContact O-CG 3.39Å; G31-M35 PolarHBondContact O-N 3.15Å; L32-M35 WeakPolarHBondContact O-CB 3.45Å; L32-M35 PolarHBondContact O-N 3.23Å; L32-M35 VanDerWaalsContact O-N 3.12Å; M35-Q38 PolarHBondContact O-N 2.98Å; M35-Y39 HydrophobicContact CE-CD2 3.72Å; M35-Y39 HydrophobicContact CE-CE2 3.48Å; M35-Y39 VanDerWaalsContact CE-CE2 3.48Å; M35-Y39 WeakPolarHBondContact O-CB 3.38Å; M35-Y39 WeakPolarHBondContact O-CD2 3.5Å; M35-Y39 PolarHBondContact O-N 3.15Å; M35-Y39 HydrophobicContact SD-CD2 4.26Å; M35-Y39 HydrophobicContact SD-CE2 3.93Å; M35-T66 HydrophobicContact CB-CG2 4.22Å; M35-T363 HydrophobicContact CG-CG2 3.89Å; M35-T363 HydrophobicContact SD-CG2 4.08Å; M35-V366 HydrophobicContact CB-CG1 4.27Å; M35-V366 HydrophobicContact CE-CB 4.44Å; M35-V366 HydrophobicContact CE-CG1 3.72Å; M35-V366 HydrophobicContact CG-CG1 4.27Å; M35-M367 HydrophobicContact CE-CE 4.44Å; M35-M367 HydrophobicContact CE-CG 3.84Å; M35-M367 HydrophobicContact SD-CE 3.98Å; M35-M367 HydrophobicContact SD-CG 4.48Å; M35-I370 HydrophobicContact CE-CD1 3.76Å
36R98.6Very high98.5Very high38 Ų3860.1 Ų60.114%0.14331%0.308CS..Hα-helixtrans-60.7-49.3174.4-65.4-176.7-175.6-176.71.7111.1E26 L32 M33 R34 Q38 Y39 S40 V62 E65 T66 A69E26-R36 IonicContact OE1-CZ 3.04Å; E26-R36 IonicContact OE1-NH1 3.83Å; E26-R36 PolarHBondContact OE1-NH1 3.16Å; E26-R36 IonicContact OE1-NH2 3.16Å; E26-R36 PolarHBondContact OE1-NH2 2.95Å; E26-R36 IonicContact OE2-NH1 2.83Å; L32-R36 PolarHBondContact O-N 3.17Å; M33-R36 WeakPolarHBondContact O-CB 3.27Å; M33-R36 PolarHBondContact O-N 2.86Å; R34-R36 VanDerWaalsContact C-N 3.32Å; R34-R36 PolarHBondContact O-N 3.47Å; R36-Q38 VanDerWaalsContact C-N 3.33Å; R36-Q38 PolarHBondContact O-N 3.2Å; R36-Y39 PolarHBondContact O-N 2.71Å; R36-S40 WeakPolarHBondContact O-CB 3.24Å; R36-S40 PolarHBondContact O-N 2.63Å; R36-S40 PolarHBondContact O-OG 3.16Å; R36-V62 PolarHBondContact NH2-O 2.89Å; R36-E65 VanDerWaalsContact NH2-CB 3.32Å; R36-T66 HydrophobicContact CG-CG2 3.77Å; R36-T66 PolarHBondContact NE-OG1 3.07Å; R36-T66 PolarHBondContact NH2-OG1 3.1Å; R36-A69 HydrophobicContact CG-CB 4.43Å
37E98.3Very high98.5Very high163 Ų16359.7 Ų59.776%0.76232%0.317SS*.Hα-helixtrans-55.8-47.4178.5-175.8-175.7-171.600111.8M33 R34M33-E37 PolarHBondContact O-N 3.16Å; R34-E37 PolarHBondContact O-N 3.27Å
38Q97.7Very high98.5Very high90 Ų9054.3 Ų54.342%0.42129%0.288SS..Hα-helixtrans-73.8-35.6-175-70.4-176.7-14.700113.6R34 M35 R36R34-Q38 HydrophobicContact CG-CG 4.27Å; R34-Q38 VanDerWaalsContact NE-NE2 3.18Å; R34-Q38 WeakPolarHBondContact O-CB 3.31Å; R34-Q38 VanDerWaalsContact O-CG 3.3Å; R34-Q38 WeakPolarHBondContact O-CG 3.39Å; R34-Q38 PolarHBondContact O-N 3.23Å; M35-Q38 PolarHBondContact O-N 2.98Å; R36-Q38 VanDerWaalsContact C-N 3.33Å; R36-Q38 PolarHBondContact O-N 3.2Å
39Y98.1Very high98.5Very high81 Ų8153.2 Ų53.232%0.31828%0.28SS..Hα-helixtrans-119.9-6.5-164.2-61.5-69.7000115.6M35 R36 A41 S42 K43 P44 I370M35-Y39 HydrophobicContact CE-CD2 3.72Å; M35-Y39 HydrophobicContact CE-CE2 3.48Å; M35-Y39 VanDerWaalsContact CE-CE2 3.48Å; M35-Y39 WeakPolarHBondContact O-CB 3.38Å; M35-Y39 WeakPolarHBondContact O-CD2 3.5Å; M35-Y39 PolarHBondContact O-N 3.15Å; M35-Y39 HydrophobicContact SD-CD2 4.26Å; M35-Y39 HydrophobicContact SD-CE2 3.93Å; R36-Y39 PolarHBondContact O-N 2.71Å; Y39-A41 PolarHBondContact O-N 2.87Å; Y39-S42 PolarHBondContact O-N 3.05Å; Y39-S42 PolarHBondContact O-OG 3.46Å; Y39-K43 PolarHBondContact O-N 2.68Å; Y39-P44 HydrophobicContact CD1-CG 4.19Å; Y39-P44 HydrophobicContact CG-CG 4.26Å; Y39-P44 VanDerWaalsContact O-CD 3.3Å; Y39-P44 WeakPolarHBondContact O-CD 3.35Å; Y39-I370 HydrophobicContact CD2-CD1 4.38Å
40S97Very high98.5Very high39 Ų3953.2 Ų53.227%0.27328%0.28SS..THydrogen-bonded Turntrans-64.1-28.7-178.8-65.50000113.9R36 K43R36-S40 WeakPolarHBondContact O-CB 3.24Å; R36-S40 PolarHBondContact O-N 2.63Å; R36-S40 PolarHBondContact O-OG 3.16Å; S40-K43 VanDerWaalsContact O-CG 3.24Å; S40-K43 WeakPolarHBondContact O-CG 3.42Å; S40-K43 PolarHBondContact O-NZ 3.2Å
41A97.8Very high98.5Very high101 Ų10151.9 Ų51.984%0.83527%0.272SS*.THydrogen-bonded Turntrans-79.1-44.117900000112.4Y39Y39-A41 PolarHBondContact O-N 2.87Å
42S98.3Very high98.5Very high81 Ų8151.9 Ų51.957%0.56627%0.272SS*.THydrogen-bonded Turntrans-77.6-23.1-179.255.40000113.1Y39Y39-S42 PolarHBondContact O-N 3.05Å; Y39-S42 PolarHBondContact O-OG 3.46Å
43K98.6Very high98.5Very high93 Ų9351.9 Ų51.940%0.40427%0.272SS..  trans50.560.4178.5-60.9-166.8-180-53.60112.9Y39 S40 L45 K46 A69 L70Y39-K43 PolarHBondContact O-N 2.68Å; S40-K43 VanDerWaalsContact O-CG 3.24Å; S40-K43 WeakPolarHBondContact O-CG 3.42Å; S40-K43 PolarHBondContact O-NZ 3.2Å; K43-L45 PolarHBondContact O-N 2.87Å; K43-L45 VanDerWaalsContact O-N 3.12Å; K43-K46 HydrophobicContact CB-CB 4.37Å; K43-K46 WeakPolarHBondContact O-CB 3.37Å; K43-K46 PolarHBondContact O-N 2.87Å; K43-A69 PolarHBondContact NZ-O 2.97Å; K43-A69 VanDerWaalsContact NZ-O 3.15Å; K43-L70 CarbonylContact C-O 3.5Å; K43-L70 WeakPolarHBondContact CA-O 3.4Å
44P98.8Very high98.5Very high27 Ų2749.8 Ų49.818%0.17526%0.262CS..THydrogen-bonded Turntrans-61.9-24.6-173.627.4-35.8000113.1Y39 K46 L70 I370 T374Y39-P44 HydrophobicContact CD1-CG 4.19Å; Y39-P44 HydrophobicContact CG-CG 4.26Å; Y39-P44 VanDerWaalsContact O-CD 3.3Å; Y39-P44 WeakPolarHBondContact O-CD 3.35Å; P44-K46 VanDerWaalsContact C-N 3.34Å; P44-L70 HydrophobicContact CG-CB 4.43Å; P44-L70 HydrophobicContact CG-CD2 4.32Å; P44-L70 HydrophobicContact CG-CG 4.18Å; P44-I370 HydrophobicContact CB-CG1 4.49Å; P44-I370 HydrophobicContact CB-CG2 4.4Å; P44-I370 HydrophobicContact CG-CD1 4.16Å; P44-I370 HydrophobicContact CG-CG1 4.16Å; P44-T374 HydrophobicContact CB-CG2 4.25Å; P44-T374 WeakPolarHBondContact O-CG2 3.35Å
45L98.9Very high98.5Very high0 Ų046.9 Ų46.90%025%0.251CS..THydrogen-bonded Turntrans-92.811.4-179.8-59.3178.3000113.3K43 G47 A48 I50 L67 L70 G71 A72 Q369 I370 W373K43-L45 PolarHBondContact O-N 2.87Å; K43-L45 VanDerWaalsContact O-N 3.12Å; L45-G47 PolarHBondContact O-N 2.71Å; L45-G47 VanDerWaalsContact O-N 3.16Å; L45-A48 HydrophobicContact CB-CB 4.27Å; L45-A48 WeakPolarHBondContact O-CB 3.48Å; L45-A48 PolarHBondContact O-N 2.87Å; L45-I50 HydrophobicContact CD1-CD1 4.31Å; L45-L67 HydrophobicContact CD1-CD2 3.69Å; L45-L70 HydrophobicContact CB-CB 4.37Å; L45-L70 HydrophobicContact CD1-CB 3.91Å; L45-L70 HydrophobicContact CD1-CD2 4.28Å; L45-L70 HydrophobicContact CG-CB 4.15Å; L45-L70 PolarHBondContact N-O 2.94Å; L45-G71 CarbonylContact O-C 3.54Å; L45-A72 HydrophobicContact CB-CB 3.9Å; L45-A72 HydrophobicContact CD1-CB 4.31Å; L45-Q369 HydrophobicContact CD2-CB 4.36Å; L45-I370 HydrophobicContact CD2-CB 4.5Å; L45-I370 HydrophobicContact CD2-CG1 3.91Å; L45-I370 HydrophobicContact CG-CG1 4.18Å; L45-W373 HydrophobicContact CD2-CB 4.01Å; L45-W373 HydrophobicContact CD2-CG 4.29Å
46K98.8Very high98.5Very high162 Ų16246.7 Ų46.770%0.70425%0.25SS*.THydrogen-bonded Turntrans-54.8124.3176-174.8176.2178.2-178.80110.9K43 P44 A48 G71 W373K43-K46 HydrophobicContact CB-CB 4.37Å; K43-K46 WeakPolarHBondContact O-CB 3.37Å; K43-K46 PolarHBondContact O-N 2.87Å; P44-K46 VanDerWaalsContact C-N 3.34Å; K46-A48 VanDerWaalsContact C-N 3.35Å; K46-G71 WeakPolarHBondContact CA-O 3.25Å; K46-W373 PolarHBondContact O-NE1 2.8Å
47G98.6Very high98.5Very high37 Ų3745.2 Ų45.238%0.38125%0.246SC..THydrogen-bonded Turntrans89.3-7.3-178.500000114.8L45 N126 W373L45-G47 PolarHBondContact O-N 2.71Å; L45-G47 VanDerWaalsContact O-N 3.16Å; G47-N126 PolarHBondContact O-ND2 3.29Å; G47-W373 VanDerWaalsContact O-CH2 3.3Å; G47-W373 WeakPolarHBondContact O-CH2 3.4Å; G47-W373 WeakPolarHBondContact O-CZ2 3.44Å
48A98.9Very high98.6Very high0 Ų037.8 Ų37.80%021%0.212CC..  trans-70.3138.416900000109.5L45 K46 I50 A72 E73 M127 W373L45-A48 HydrophobicContact CB-CB 4.27Å; L45-A48 WeakPolarHBondContact O-CB 3.48Å; L45-A48 PolarHBondContact O-N 2.87Å; K46-A48 VanDerWaalsContact C-N 3.35Å; A48-I50 HydrophobicContact CB-CD1 4.39Å; A48-I50 HydrophobicContact CB-CG1 4.08Å; A48-A72 HydrophobicContact CB-CB 4.22Å; A48-E73 PolarHBondContact O-N 3.09Å; A48-M127 HydrophobicContact CB-CG 4.33Å; A48-W373 HydrophobicContact CB-CD2 3.8Å; A48-W373 HydrophobicContact CB-CE3 4.05Å; A48-W373 HydrophobicContact CB-CG 4.22Å; A48-W373 HydrophobicContact CB-CZ2 4.27Å; A48-W373 HydrophobicContact CB-CZ3 4.39Å; A48-W373 VanDerWaalsContact N-CZ2 3.31Å
49R98.9Very high98.6Very high49 Ų4934.3 Ų34.319%0.18520%0.195CC..EExtended strand (participates in β ladder)trans-124.588.6176-63.9-172.4-58-83.1-4.3106.7E73 F120 P124 L125 N126 M127R49-E73 CarbonylContact C-O 3.57Å; R49-E73 WeakPolarHBondContact CA-O 3.22Å; R49-E73 WeakPolarHBondContact CD-OE2 2.67Å; R49-E73 HydrophobicContact CG-CB 4.28Å; R49-E73 WeakPolarHBondContact CG-OE2 2.92Å; R49-F120 HydrophobicContact CB-CD1 4Å; R49-F120 HydrophobicContact CB-CD2 3.96Å; R49-F120 HydrophobicContact CB-CE1 4Å; R49-F120 HydrophobicContact CB-CE2 4.02Å; R49-F120 HydrophobicContact CB-CG 3.98Å; R49-F120 HydrophobicContact CB-CZ 4.04Å; R49-F120 HydrophobicContact CG-CD1 4.18Å; R49-F120 HydrophobicContact CG-CG 4.24Å; R49-P124 VanDerWaalsContact CZ-O 3.27Å; R49-P124 PolarHBondContact NE-O 3.15Å; R49-P124 PolarHBondContact NH2-O 3.3Å; R49-L125 WeakPolarHBondContact O-CA 3.46Å; R49-N126 VanDerWaalsContact CZ-ND2 3.34Å; R49-N126 PolarHBondContact N-OD1 3.11Å; R49-N126 PolarHBondContact NH1-ND2 2.79Å; R49-N126 PolarHBondContact NH2-ND2 3.09Å; R49-N126 PolarHBondContact O-N 3.19Å; R49-N126 PolarHBondContact O-OD1 2.91Å; R49-M127 PolarHBondContact O-N 3.07Å
50I98.9Very high98.7Very high0 Ų030.5 Ų30.50%018%0.18CC..EExtended strand (participates in β ladder)trans-91.8113.6-168.6-54.3173.9000108.5L45 A48 L67 A72 E73 V74 Q75 F120 M127 L129L45-I50 HydrophobicContact CD1-CD1 4.31Å; A48-I50 HydrophobicContact CB-CD1 4.39Å; A48-I50 HydrophobicContact CB-CG1 4.08Å; I50-L67 HydrophobicContact CD1-CB 4.43Å; I50-L67 HydrophobicContact CD1-CD1 4.28Å; I50-L67 HydrophobicContact CD1-CD2 4.06Å; I50-L67 HydrophobicContact CD1-CG 4.49Å; I50-A72 HydrophobicContact CD1-CB 3.62Å; I50-A72 HydrophobicContact CG1-CB 4.17Å; I50-E73 PolarHBondContact N-O 3.31Å; I50-V74 HydrophobicContact CB-CG2 4.48Å; I50-V74 WeakPolarHBondContact O-CA 3.04Å; I50-Q75 PolarHBondContact O-N 3.11Å; I50-F120 WeakPolarHBondContact O-CZ 3.4Å; I50-M127 HydrophobicContact CB-CB 4.37Å; I50-M127 HydrophobicContact CG1-CB 3.84Å; I50-M127 HydrophobicContact CG1-CG 4.45Å; I50-L129 HydrophobicContact CG2-CB 3.98Å
51A98.9Very high98.7Very high0 Ų028.6 Ų28.60%017%0.167CC..EExtended strand (participates in β ladder)trans-85.4119.8163.700000108.4Q75 L125 M127 L129 L135A51-Q75 WeakPolarHBondContact CA-O 3.28Å; A51-L125 HydrophobicContact CB-CB 4Å; A51-L125 HydrophobicContact CB-CD1 3.47Å; A51-L125 VanDerWaalsContact CB-CD1 3.47Å; A51-L125 HydrophobicContact CB-CG 4.38Å; A51-M127 PolarHBondContact N-O 3.09Å; A51-M127 VanDerWaalsContact N-O 3.13Å; A51-L129 PolarHBondContact O-N 3.38Å; A51-L135 HydrophobicContact CB-CD2 3.91Å; A51-L135 WeakPolarHBondContact O-CD2 3.4Å
52G98.9Very high98.8Very high0 Ų023.8 Ų23.80%013%0.128CC..EExtended strand (participates in β ladder)trans-103.1131.7176.100000112Q75 W76 S77 L129G52-Q75 PolarHBondContact N-O 2.85Å; G52-W76 WeakPolarHBondContact O-CA 3.42Å; G52-S77 PolarHBondContact O-N 2.9Å; G52-S77 PolarHBondContact O-OG 2.79Å; G52-L129 VanDerWaalsContact CA-O 3.32Å; G52-L129 WeakPolarHBondContact CA-O 3.1Å
53C98.8Very high98.8Very high0 Ų020 Ų200%010%0.101CC..EExtended strand (participates in β ladder)trans-124.892.3167.3-168.70000108.3S77 L129 D131 L135C53-S77 WeakPolarHBondContact CA-O 3.29Å; C53-L129 PolarHBondContact N-O 3.17Å; C53-D131 PolarHBondContact O-N 2.93Å; C53-L135 HydrophobicContact CB-CB 3.59Å; C53-L135 HydrophobicContact CB-CD2 3.93Å; C53-L135 HydrophobicContact CB-CG 4.38Å
54L98.7Very high98.8Very high2 Ų215.5 Ų15.51%0.018%0.081CC..SBendtrans-155.5144.5-175.8-163.3151.1000108M56 T60 W76 S77 L129 D131 E156 F362L54-M56 PolarHBondContact O-N 2.73Å; L54-M56 VanDerWaalsContact O-N 3.15Å; L54-T60 HydrophobicContact CD2-CG2 4.04Å; L54-T60 VanDerWaalsContact CD2-OG1 3.28Å; L54-T60 WeakPolarHBondContact CD2-OG1 3.42Å; L54-W76 HydrophobicContact CB-CZ2 4.03Å; L54-W76 PolarHBondContact O-NE1 3.43Å; L54-S77 PolarHBondContact N-O 2.81Å; L54-S77 VanDerWaalsContact N-O 3.14Å; L54-S77 VanDerWaalsContact O-O 3.14Å; L54-L129 HydrophobicContact CB-CD2 4.29Å; L54-L129 HydrophobicContact CD1-CD2 3.74Å; L54-D131 HydrophobicContact CB-CB 4.15Å; L54-D131 HydrophobicContact CD1-CB 3.96Å; L54-D131 HydrophobicContact CG-CB 3.72Å; L54-E156 HydrophobicContact CD1-CB 4.3Å; L54-E156 HydrophobicContact CD1-CG 4.22Å; L54-F362 HydrophobicContact CD1-CE1 3.94Å; L54-F362 HydrophobicContact CD2-CE1 3.91Å; L54-F362 HydrophobicContact CD2-CZ 3.66Å
55H98.8Very high98.9Very high17 Ų1715.6 Ų15.68%0.0798%0.079CC..  trans-35.7118.7178.2-57.1-57.2000113.1T57 T60 C79 S83 D131 L347H55-T57 VanDerWaalsContact C-N 3.32Å; H55-T57 HydrophobicContact CB-CG2 4.03Å; H55-T57 PolarHBondContact O-N 3.19Å; H55-T60 WeakPolarHBondContact O-CB 3.23Å; H55-T60 WeakPolarHBondContact O-CG2 3.37Å; H55-T60 PolarHBondContact O-OG1 3.15Å; H55-C79 PolarHBondContact CE1-SG 3.39Å; H55-C79 PolarHBondContact N-SG 2.86Å; H55-C79 PolarHBondContact ND1-SG 3.46Å; H55-C79 VanDerWaalsContact ND1-SG 3.38Å; H55-S83 WeakPolarHBondContact ND1-CB 3.39Å; H55-S83 PolarHBondContact ND1-OG 2.9Å; H55-D131 IonicContact CD2-OD2 2.72Å; H55-D131 IonicContact NE2-OD2 2.61Å; H55-L347 HydrophobicContact CB-CD2 4.3Å; H55-L347 VanDerWaalsContact NE2-CD1 3.3Å; H55-L347 WeakPolarHBondContact NE2-CD1 3.49Å
56M98.8Very high98.9Very high0 Ų015.6 Ų15.60%08%0.079CC..  trans-81.475.2-176.1-17362.3-105.700111.8L54 T60 A61 I64 T84 Q85 A88 A89 I92 V99 A101L54-M56 PolarHBondContact O-N 2.73Å; L54-M56 VanDerWaalsContact O-N 3.15Å; M56-T60 HydrophobicContact CE-CG2 4.49Å; M56-A61 HydrophobicContact CE-CB 3.93Å; M56-I64 HydrophobicContact CE-CD1 3.89Å; M56-I64 HydrophobicContact SD-CD1 3.82Å; M56-T84 HydrophobicContact CB-CG2 4Å; M56-T84 HydrophobicContact CG-CG2 4.24Å; M56-Q85 PolarHBondContact O-N 3.25Å; M56-A88 HydrophobicContact CE-CB 4.47Å; M56-A89 HydrophobicContact CG-CB 3.79Å; M56-I92 HydrophobicContact CE-CG1 3.91Å; M56-V99 HydrophobicContact CG-CG2 4Å; M56-V99 HydrophobicContact SD-CG2 3.69Å; M56-A101 HydrophobicContact CB-CB 3.77Å; M56-A101 HydrophobicContact CG-CB 3.88Å
57T98.9Very high98.9Very high7 Ų77.9 Ų7.94%0.0435%0.046CC..SBendtrans-104176.4-178.773.10000113.1H55 E59 T60 A61 Q85 A88 L347H55-T57 VanDerWaalsContact C-N 3.32Å; H55-T57 HydrophobicContact CB-CG2 4.03Å; H55-T57 PolarHBondContact O-N 3.19Å; T57-E59 VanDerWaalsContact C-N 3.29Å; T57-E59 WeakPolarHBondContact CB-OE2 3.36Å; T57-E59 PolarHBondContact O-N 3.49Å; T57-E59 PolarHBondContact OG1-N 2.87Å; T57-E59 PolarHBondContact OG1-OE2 2.94Å; T57-T60 PolarHBondContact O-N 3.24Å; T57-T60 PolarHBondContact OG1-N 3.01Å; T57-T60 PolarHBondContact OG1-OG1 3.12Å; T57-A61 WeakPolarHBondContact O-CB 3.41Å; T57-A61 PolarHBondContact O-N 3.17Å; T57-Q85 HydrophobicContact CG2-CG 4.31Å; T57-A88 VanDerWaalsContact C-CB 3.47Å; T57-A88 WeakPolarHBondContact O-CB 3.33Å; T57-L347 HydrophobicContact CG2-CD2 4.06Å
58V98.8Very high98.9Very high8 Ų88.9 Ų8.95%0.0484%0.044CC..Hα-helixtrans-56.1-43.7169.5166.30000111.4A21 L22 A25 A61 V62 Q85 A88A21-V58 HydrophobicContact CB-CG1 4.28Å; A21-V58 HydrophobicContact CB-CG2 3.75Å; L22-V58 HydrophobicContact CD1-CG1 4.21Å; L22-V58 HydrophobicContact CD1-CG2 4.38Å; A25-V58 HydrophobicContact CB-CG1 3.48Å; A25-V58 VanDerWaalsContact CB-CG1 3.48Å; V58-A61 WeakPolarHBondContact O-CB 3.44Å; V58-A61 PolarHBondContact O-N 3.14Å; V58-V62 PolarHBondContact O-N 2.93Å; V58-Q85 VanDerWaalsContact CG2-OE1 3.26Å; V58-A88 HydrophobicContact CB-CB 4.49Å; V58-A88 HydrophobicContact CG2-CB 3.93Å
59E98.9Very high98.9Very high16 Ų1610.1 Ų10.18%0.0756%0.055CC..Hα-helixtrans-63.3-45179.2-6568.4-14800111.3M29 T57 A61 V62 L63 S355 M358 F362M29-E59 HydrophobicContact CE-CB 4.01Å; M29-E59 HydrophobicContact CE-CG 4.41Å; M29-E59 HydrophobicContact SD-CB 4.41Å; T57-E59 VanDerWaalsContact C-N 3.29Å; T57-E59 WeakPolarHBondContact CB-OE2 3.36Å; T57-E59 PolarHBondContact O-N 3.49Å; T57-E59 PolarHBondContact OG1-N 2.87Å; T57-E59 PolarHBondContact OG1-OE2 2.94Å; E59-A61 VanDerWaalsContact C-N 3.25Å; E59-A61 PolarHBondContact O-N 3Å; E59-V62 WeakPolarHBondContact O-CB 3.26Å; E59-V62 PolarHBondContact O-N 3.46Å; E59-V62 VanDerWaalsContact O-N 3.11Å; E59-L63 PolarHBondContact O-N 2.97Å; E59-L63 VanDerWaalsContact O-N 3.12Å; E59-S355 PolarHBondContact OE1-OG 2.82Å; E59-M358 HydrophobicContact CB-CB 3.89Å; E59-M358 HydrophobicContact CB-CG 4.12Å; E59-M358 HydrophobicContact CG-CB 3.83Å; E59-M358 HydrophobicContact CG-CG 3.87Å; E59-F362 HydrophobicContact CB-CD2 4.43Å; E59-F362 HydrophobicContact CB-CE2 3.78Å
60T98.9Very high98.9Very high1 Ų17.8 Ų7.81%0.0065%0.046CC..Hα-helixtrans-65.1-33.5177.9-58.10000111L54 H55 M56 T57 V62 L63 I64 W76L54-T60 HydrophobicContact CD2-CG2 4.04Å; L54-T60 VanDerWaalsContact CD2-OG1 3.28Å; L54-T60 WeakPolarHBondContact CD2-OG1 3.42Å; H55-T60 WeakPolarHBondContact O-CB 3.23Å; H55-T60 WeakPolarHBondContact O-CG2 3.37Å; H55-T60 PolarHBondContact O-OG1 3.15Å; M56-T60 HydrophobicContact CE-CG2 4.49Å; T57-T60 PolarHBondContact O-N 3.24Å; T57-T60 PolarHBondContact OG1-N 3.01Å; T57-T60 PolarHBondContact OG1-OG1 3.12Å; T60-V62 VanDerWaalsContact C-N 3.3Å; T60-V62 PolarHBondContact O-N 3.38Å; T60-L63 WeakPolarHBondContact O-CB 3.4Å; T60-L63 PolarHBondContact O-N 3.2Å; T60-I64 HydrophobicContact CG2-CD1 4.07Å; T60-I64 HydrophobicContact CG2-CG1 4.34Å; T60-I64 VanDerWaalsContact O-CG1 3.27Å; T60-I64 WeakPolarHBondContact O-CG1 3.48Å; T60-I64 PolarHBondContact O-N 2.96Å; T60-W76 HydrophobicContact CG2-CZ2 3.62Å
61A98.9Very high98.9Very high0 Ų08.7 Ų8.70%06%0.055CC..Hα-helixtrans-61.1-38.7173.500000112.1L22 M56 T57 V58 E59 I64 E65 A88 I92L22-A61 HydrophobicContact CD1-CB 3.84Å; L22-A61 HydrophobicContact CD2-CB 3.83Å; L22-A61 HydrophobicContact CG-CB 3.95Å; M56-A61 HydrophobicContact CE-CB 3.93Å; T57-A61 WeakPolarHBondContact O-CB 3.41Å; T57-A61 PolarHBondContact O-N 3.17Å; V58-A61 WeakPolarHBondContact O-CB 3.44Å; V58-A61 PolarHBondContact O-N 3.14Å; E59-A61 VanDerWaalsContact C-N 3.25Å; E59-A61 PolarHBondContact O-N 3Å; A61-I64 PolarHBondContact O-N 2.99Å; A61-E65 PolarHBondContact O-N 3.32Å; A61-A88 HydrophobicContact CB-CB 4.43Å; A61-I92 HydrophobicContact CB-CD1 3.68Å; A61-I92 HydrophobicContact CB-CG1 3.65Å
62V98.9Very high98.9Very high0 Ų09 Ų90%06%0.058CC..Hα-helixtrans-66.5-38.8174.1-177.20000111.6L22 A25 E26 M29 L32 M33 R36 V58 E59 T60 T66L22-V62 HydrophobicContact CG-CG2 4.43Å; A25-V62 HydrophobicContact CB-CG2 4.12Å; E26-V62 HydrophobicContact CG-CG1 3.96Å; E26-V62 HydrophobicContact CG-CG2 3.98Å; M29-V62 HydrophobicContact CE-CB 4.42Å; M29-V62 HydrophobicContact SD-CB 3.64Å; M29-V62 HydrophobicContact SD-CG1 3.79Å; M29-V62 HydrophobicContact SD-CG2 3.82Å; L32-V62 HydrophobicContact CB-CG1 4.41Å; L32-V62 HydrophobicContact CD1-CB 4.25Å; L32-V62 HydrophobicContact CD1-CG1 3.78Å; M33-V62 HydrophobicContact CE-CG1 3.42Å; M33-V62 VanDerWaalsContact CE-CG1 3.42Å; R36-V62 PolarHBondContact NH2-O 2.89Å; V58-V62 PolarHBondContact O-N 2.93Å; E59-V62 WeakPolarHBondContact O-CB 3.26Å; E59-V62 PolarHBondContact O-N 3.46Å; E59-V62 VanDerWaalsContact O-N 3.11Å; T60-V62 VanDerWaalsContact C-N 3.3Å; T60-V62 PolarHBondContact O-N 3.38Å; V62-T66 WeakPolarHBondContact O-CB 3.48Å; V62-T66 PolarHBondContact O-N 3.32Å; V62-T66 PolarHBondContact O-OG1 2.9Å
63L98.9Very high98.9Very high0 Ų012.6 Ų12.60%08%0.075CC..Hα-helixtrans-60-51171.5166.562.3000111.3L32 E59 T60 E65 T66 L67 W76 L129 F362 Q365 V366L32-L63 HydrophobicContact CD1-CB 4.3Å; E59-L63 PolarHBondContact O-N 2.97Å; E59-L63 VanDerWaalsContact O-N 3.12Å; T60-L63 WeakPolarHBondContact O-CB 3.4Å; T60-L63 PolarHBondContact O-N 3.2Å; L63-E65 PolarHBondContact O-N 3.47Å; L63-T66 WeakPolarHBondContact O-CA 3.39Å; L63-T66 VanDerWaalsContact O-CB 3.29Å; L63-T66 WeakPolarHBondContact O-CB 3.42Å; L63-T66 PolarHBondContact O-N 3.18Å; L63-L67 HydrophobicContact CD1-CD1 4.06Å; L63-L67 HydrophobicContact CD1-CD2 4.47Å; L63-L67 HydrophobicContact CD1-CG 4.06Å; L63-L67 HydrophobicContact CG-CD1 4.24Å; L63-L67 WeakPolarHBondContact O-CG 3.37Å; L63-L67 PolarHBondContact O-N 3.4Å; L63-W76 HydrophobicContact CD2-CH2 4.03Å; L63-W76 HydrophobicContact CD2-CZ2 4.22Å; L63-W76 HydrophobicContact CG-CH2 4.34Å; L63-L129 HydrophobicContact CD2-CD1 4.25Å; L63-F362 HydrophobicContact CB-CB 4.16Å; L63-F362 HydrophobicContact CB-CD2 3.75Å; L63-F362 HydrophobicContact CB-CE2 4.33Å; L63-F362 HydrophobicContact CB-CG 4.04Å; L63-F362 HydrophobicContact CD1-CB 4.16Å; L63-F362 HydrophobicContact CD2-CB 4.24Å; L63-F362 HydrophobicContact CD2-CD1 3.83Å; L63-F362 HydrophobicContact CD2-CD2 4.13Å; L63-F362 HydrophobicContact CD2-CE1 4.15Å; L63-F362 HydrophobicContact CD2-CE2 4.43Å; L63-F362 HydrophobicContact CD2-CG 3.81Å; L63-F362 HydrophobicContact CD2-CZ 4.43Å; L63-F362 HydrophobicContact CG-CB 4.41Å; L63-F362 HydrophobicContact CG-CG 4.36Å; L63-Q365 HydrophobicContact CD1-CB 4.43Å; L63-V366 HydrophobicContact CD1-CG2 3.56Å
64I98.9Very high98.9Very high0 Ų013 Ų130%08%0.077CC..Hα-helixtrans-55.4-51.4179.5-71.5167.5000110.6M56 T60 A61 T66 L67 V68 V74 W76 I92 I97M56-I64 HydrophobicContact CE-CD1 3.89Å; M56-I64 HydrophobicContact SD-CD1 3.82Å; T60-I64 HydrophobicContact CG2-CD1 4.07Å; T60-I64 HydrophobicContact CG2-CG1 4.34Å; T60-I64 VanDerWaalsContact O-CG1 3.27Å; T60-I64 WeakPolarHBondContact O-CG1 3.48Å; T60-I64 PolarHBondContact O-N 2.96Å; A61-I64 PolarHBondContact O-N 2.99Å; I64-T66 PolarHBondContact O-N 3.21Å; I64-L67 PolarHBondContact O-N 3.26Å; I64-V68 WeakPolarHBondContact O-CG2 3.35Å; I64-V68 PolarHBondContact O-N 3.29Å; I64-V74 HydrophobicContact CG2-CG1 4.2Å; I64-W76 HydrophobicContact CD1-CB 4.04Å; I64-W76 HydrophobicContact CD1-CD2 3.51Å; I64-W76 HydrophobicContact CD1-CE3 3.95Å; I64-W76 HydrophobicContact CD1-CG 3.58Å; I64-W76 HydrophobicContact CD1-CZ2 4.45Å; I64-W76 HydrophobicContact CG1-CD2 3.6Å; I64-W76 HydrophobicContact CG1-CE3 3.54Å; I64-W76 HydrophobicContact CG1-CG 4.21Å; I64-W76 HydrophobicContact CG1-CH2 3.91Å; I64-W76 HydrophobicContact CG1-CZ2 4.04Å; I64-W76 HydrophobicContact CG1-CZ3 3.69Å; I64-I92 HydrophobicContact CB-CD1 4.21Å; I64-I92 HydrophobicContact CD1-CG1 4.32Å; I64-I92 HydrophobicContact CD1-CG2 4.4Å; I64-I92 HydrophobicContact CG2-CD1 3.99Å; I64-I92 HydrophobicContact CG2-CG2 4.31Å; I64-I97 HydrophobicContact CG2-CD1 3.78Å; I64-I97 HydrophobicContact CG2-CG2 3.97Å
65E98.9Very high98.9Very high29 Ų2913.4 Ų13.414%0.1368%0.079CC..Hα-helixtrans-66-26.7179.4-71.8-167.4155.800112.5R19 R36 A61 L63 A69 I92 I97R19-E65 IonicContact CZ-OE1 2.77Å; R19-E65 IonicContact CZ-OE2 3.88Å; R19-E65 IonicContact NH1-OE1 2.91Å; R19-E65 PolarHBondContact NH1-OE1 2.97Å; R19-E65 VanDerWaalsContact NH1-OE1 3.12Å; R19-E65 IonicContact NH1-OE2 3.34Å; R19-E65 PolarHBondContact NH1-OE2 3.33Å; R19-E65 IonicContact NH2-OE1 2.67Å; R19-E65 PolarHBondContact NH2-OE1 3.34Å; R19-E65 IonicContact NH2-OE2 3.12Å; R36-E65 VanDerWaalsContact NH2-CB 3.32Å; A61-E65 PolarHBondContact O-N 3.32Å; L63-E65 PolarHBondContact O-N 3.47Å; E65-A69 VanDerWaalsContact O-CB 3.3Å; E65-A69 WeakPolarHBondContact O-CB 3.48Å; E65-A69 PolarHBondContact O-N 3.08Å; E65-I92 HydrophobicContact CG-CD1 3.96Å; E65-I97 HydrophobicContact CG-CD1 4.44Å
66T98.9Very high98.9Very high0 Ų012.6 Ų12.60%08%0.075CC..Hα-helixtrans-68-47.1171.7-57.50000111.5L32 M35 R36 V62 L63 I64 V68 A69 L70 V366L32-T66 HydrophobicContact CD2-CG2 4.41Å; M35-T66 HydrophobicContact CB-CG2 4.22Å; R36-T66 HydrophobicContact CG-CG2 3.77Å; R36-T66 PolarHBondContact NE-OG1 3.07Å; R36-T66 PolarHBondContact NH2-OG1 3.1Å; V62-T66 WeakPolarHBondContact O-CB 3.48Å; V62-T66 PolarHBondContact O-N 3.32Å; V62-T66 PolarHBondContact O-OG1 2.9Å; L63-T66 WeakPolarHBondContact O-CA 3.39Å; L63-T66 VanDerWaalsContact O-CB 3.29Å; L63-T66 WeakPolarHBondContact O-CB 3.42Å; L63-T66 PolarHBondContact O-N 3.18Å; I64-T66 PolarHBondContact O-N 3.21Å; T66-V68 VanDerWaalsContact C-N 3.3Å; T66-V68 PolarHBondContact O-N 3.17Å; T66-A69 PolarHBondContact O-N 3.45Å; T66-L70 HydrophobicContact CG2-CD1 4.29Å; T66-L70 WeakPolarHBondContact O-CD1 3.25Å; T66-L70 PolarHBondContact O-N 3.35Å; T66-V366 HydrophobicContact CG2-CG2 4.03Å
67L98.9Very high98.9Very high0 Ų012.6 Ų12.60%08%0.075CC..Hα-helixtrans-59.8-42.7177.4-65.8169.9000111.3L45 I50 L63 I64 L70 G71 A72 V74 W76 L129 V366 Q369L45-L67 HydrophobicContact CD1-CD2 3.69Å; I50-L67 HydrophobicContact CD1-CB 4.43Å; I50-L67 HydrophobicContact CD1-CD1 4.28Å; I50-L67 HydrophobicContact CD1-CD2 4.06Å; I50-L67 HydrophobicContact CD1-CG 4.49Å; L63-L67 HydrophobicContact CD1-CD1 4.06Å; L63-L67 HydrophobicContact CD1-CD2 4.47Å; L63-L67 HydrophobicContact CD1-CG 4.06Å; L63-L67 HydrophobicContact CG-CD1 4.24Å; L63-L67 WeakPolarHBondContact O-CG 3.37Å; L63-L67 PolarHBondContact O-N 3.4Å; I64-L67 PolarHBondContact O-N 3.26Å; L67-L70 CarbonylContact O-C 3.58Å; L67-L70 PolarHBondContact O-N 3.36Å; L67-G71 PolarHBondContact O-N 2.74Å; L67-A72 HydrophobicContact CB-CB 4.44Å; L67-A72 WeakPolarHBondContact O-CB 3.38Å; L67-A72 PolarHBondContact O-N 3.44Å; L67-A72 VanDerWaalsContact O-N 3.12Å; L67-V74 HydrophobicContact CB-CG2 3.94Å; L67-W76 HydrophobicContact CD1-CH2 4.05Å; L67-W76 HydrophobicContact CD1-CZ3 3.88Å; L67-L129 HydrophobicContact CD1-CD1 4.07Å; L67-V366 HydrophobicContact CD2-CG2 4.06Å; L67-Q369 HydrophobicContact CD2-CB 4.39Å; L67-Q369 HydrophobicContact CD2-CG 4.36Å
68V98.9Very high98.9Very high57 Ų5712.2 Ų12.235%0.3457%0.073SC..Hα-helixtrans-64-44.4175.3173.80000111.7I64 T66 L70 G71 V74 I97I64-V68 WeakPolarHBondContact O-CG2 3.35Å; I64-V68 PolarHBondContact O-N 3.29Å; T66-V68 VanDerWaalsContact C-N 3.3Å; T66-V68 PolarHBondContact O-N 3.17Å; V68-L70 PolarHBondContact O-N 3.24Å; V68-G71 WeakPolarHBondContact O-CA 3.29Å; V68-G71 PolarHBondContact O-N 2.6Å; V68-V74 HydrophobicContact CG2-CB 4.12Å; V68-V74 HydrophobicContact CG2-CG2 3.78Å; V68-I97 HydrophobicContact CG2-CD1 3.9Å; V68-I97 HydrophobicContact CG2-CG1 4.39Å
69A98.8Very high98.8Very high27 Ų2712.1 Ų12.122%0.2237%0.072CC..Hα-helixtrans-58.2-36.2176.800000112.2R36 K43 E65 T66 G71R36-A69 HydrophobicContact CG-CB 4.43Å; K43-A69 PolarHBondContact NZ-O 2.97Å; K43-A69 VanDerWaalsContact NZ-O 3.15Å; E65-A69 VanDerWaalsContact O-CB 3.3Å; E65-A69 WeakPolarHBondContact O-CB 3.48Å; E65-A69 PolarHBondContact O-N 3.08Å; T66-A69 PolarHBondContact O-N 3.45Å; A69-G71 PolarHBondContact O-N 3.4Å
70L98.8Very high98.8Very high0 Ų012 Ų120%07%0.072CC..THydrogen-bonded Turntrans-770.6175.5-89.657.2000114.1K43 P44 L45 T66 L67 V68 V366 I370K43-L70 CarbonylContact C-O 3.5Å; K43-L70 WeakPolarHBondContact CA-O 3.4Å; P44-L70 HydrophobicContact CG-CB 4.43Å; P44-L70 HydrophobicContact CG-CD2 4.32Å; P44-L70 HydrophobicContact CG-CG 4.18Å; L45-L70 HydrophobicContact CB-CB 4.37Å; L45-L70 HydrophobicContact CD1-CB 3.91Å; L45-L70 HydrophobicContact CD1-CD2 4.28Å; L45-L70 HydrophobicContact CG-CB 4.15Å; L45-L70 PolarHBondContact N-O 2.94Å; T66-L70 HydrophobicContact CG2-CD1 4.29Å; T66-L70 WeakPolarHBondContact O-CD1 3.25Å; T66-L70 PolarHBondContact O-N 3.35Å; L67-L70 CarbonylContact O-C 3.58Å; L67-L70 PolarHBondContact O-N 3.36Å; V68-L70 PolarHBondContact O-N 3.24Å; L70-V366 HydrophobicContact CD2-CG1 3.53Å; L70-I370 HydrophobicContact CD2-CD1 3.84Å; L70-I370 HydrophobicContact CD2-CG1 4.41Å
71G98.8Very high98.8Very high19 Ų1912.4 Ų12.420%0.1967%0.074CC..THydrogen-bonded Turntrans101.74169.300000116L45 K46 L67 V68 A69L45-G71 CarbonylContact O-C 3.54Å; K46-G71 WeakPolarHBondContact CA-O 3.25Å; L67-G71 PolarHBondContact O-N 2.74Å; V68-G71 WeakPolarHBondContact O-CA 3.29Å; V68-G71 PolarHBondContact O-N 2.6Å; A69-G71 PolarHBondContact O-N 3.4Å
72A98.8Very high98.7Very high7 Ų712.9 Ų12.96%0.0588%0.076CC..  trans-73.9148.1175.900000111.9L45 A48 I50 L67 V74L45-A72 HydrophobicContact CB-CB 3.9Å; L45-A72 HydrophobicContact CD1-CB 4.31Å; A48-A72 HydrophobicContact CB-CB 4.22Å; I50-A72 HydrophobicContact CD1-CB 3.62Å; I50-A72 HydrophobicContact CG1-CB 4.17Å; L67-A72 HydrophobicContact CB-CB 4.44Å; L67-A72 WeakPolarHBondContact O-CB 3.38Å; L67-A72 PolarHBondContact O-N 3.44Å; L67-A72 VanDerWaalsContact O-N 3.12Å; A72-V74 HydrophobicContact CB-CG2 3.97Å
73E98.9Very high98.7Very high75 Ų7513 Ų1335%0.358%0.077SC..EExtended strand (participates in β ladder)trans-85.3135.6154.2-59.6-177.5114.500108.1A48 R49 I50 F120A48-E73 PolarHBondContact O-N 3.09Å; R49-E73 CarbonylContact C-O 3.57Å; R49-E73 WeakPolarHBondContact CA-O 3.22Å; R49-E73 WeakPolarHBondContact CD-OE2 2.67Å; R49-E73 HydrophobicContact CG-CB 4.28Å; R49-E73 WeakPolarHBondContact CG-OE2 2.92Å; I50-E73 PolarHBondContact N-O 3.31Å; E73-F120 HydrophobicContact CB-CD1 3.87Å; E73-F120 HydrophobicContact CB-CE1 3.9Å
74V98.9Very high98.7Very high7 Ų713 Ų134%0.0428%0.078CC..EExtended strand (participates in β ladder)trans-130.3137.4-173-178.60000110.3I50 I64 L67 V68 A72 W76 I97I50-V74 HydrophobicContact CB-CG2 4.48Å; I50-V74 WeakPolarHBondContact O-CA 3.04Å; I64-V74 HydrophobicContact CG2-CG1 4.2Å; L67-V74 HydrophobicContact CB-CG2 3.94Å; V68-V74 HydrophobicContact CG2-CB 4.12Å; V68-V74 HydrophobicContact CG2-CG2 3.78Å; A72-V74 HydrophobicContact CB-CG2 3.97Å; V74-W76 HydrophobicContact CG1-CE3 3.34Å; V74-W76 HydrophobicContact CG1-CZ3 3.64Å; V74-I97 HydrophobicContact CB-CG2 4.42Å
75Q98.9Very high98.7Very high11 Ų1113.7 Ų13.75%0.0518%0.081CC..EExtended strand (participates in β ladder)trans-129.9142.1165.2-62.2-172.9139.700108.9I50 A51 G52 P98 Q116 T117 Y119 F120I50-Q75 PolarHBondContact O-N 3.11Å; A51-Q75 WeakPolarHBondContact CA-O 3.28Å; G52-Q75 PolarHBondContact N-O 2.85Å; Q75-P98 CarbonylContact C-O 3.03Å; Q75-P98 VanDerWaalsContact CA-O 3.32Å; Q75-P98 WeakPolarHBondContact CA-O 3.38Å; Q75-P98 HydrophobicContact CB-CB 4.32Å; Q75-P98 HydrophobicContact CG-CB 3.82Å; Q75-P98 HydrophobicContact CG-CG 3.93Å; Q75-Q116 PolarHBondContact NE2-O 3.38Å; Q75-T117 HydrophobicContact CB-CG2 4.48Å; Q75-T117 PolarHBondContact NE2-O 3.19Å; Q75-Y119 PolarHBondContact NE2-O 3.47Å; Q75-Y119 PolarHBondContact OE1-O 3.24Å; Q75-F120 HydrophobicContact CB-CE1 4.21Å; Q75-F120 HydrophobicContact CB-CE2 4.32Å; Q75-F120 HydrophobicContact CB-CZ 3.8Å; Q75-F120 HydrophobicContact CG-CD1 3.94Å; Q75-F120 HydrophobicContact CG-CD2 4.46Å; Q75-F120 HydrophobicContact CG-CE1 3.51Å; Q75-F120 HydrophobicContact CG-CE2 4.05Å; Q75-F120 HydrophobicContact CG-CG 4.39Å; Q75-F120 HydrophobicContact CG-CZ 3.54Å
76W98.9Very high98.7Very high0 Ų014.1 Ų14.10%08%0.084CC..EExtended strand (participates in β ladder)trans-134.6147.3-167.7-141.7-88.3000114.7G52 L54 T60 L63 I64 L67 V74 P98 V99 Y100 L129G52-W76 WeakPolarHBondContact O-CA 3.42Å; L54-W76 HydrophobicContact CB-CZ2 4.03Å; L54-W76 PolarHBondContact O-NE1 3.43Å; T60-W76 HydrophobicContact CG2-CZ2 3.62Å; L63-W76 HydrophobicContact CD2-CH2 4.03Å; L63-W76 HydrophobicContact CD2-CZ2 4.22Å; L63-W76 HydrophobicContact CG-CH2 4.34Å; I64-W76 HydrophobicContact CD1-CB 4.04Å; I64-W76 HydrophobicContact CD1-CD2 3.51Å; I64-W76 HydrophobicContact CD1-CE3 3.95Å; I64-W76 HydrophobicContact CD1-CG 3.58Å; I64-W76 HydrophobicContact CD1-CZ2 4.45Å; I64-W76 HydrophobicContact CG1-CD2 3.6Å; I64-W76 HydrophobicContact CG1-CE3 3.54Å; I64-W76 HydrophobicContact CG1-CG 4.21Å; I64-W76 HydrophobicContact CG1-CH2 3.91Å; I64-W76 HydrophobicContact CG1-CZ2 4.04Å; I64-W76 HydrophobicContact CG1-CZ3 3.69Å; L67-W76 HydrophobicContact CD1-CH2 4.05Å; L67-W76 HydrophobicContact CD1-CZ3 3.88Å; V74-W76 HydrophobicContact CG1-CE3 3.34Å; V74-W76 HydrophobicContact CG1-CZ3 3.64Å; W76-P98 PolarHBondContact N-O 2.88Å; W76-V99 HydrophobicContact CB-CG2 4.4Å; W76-V99 WeakPolarHBondContact O-CA 3.43Å; W76-Y100 PolarHBondContact O-N 3.35Å; W76-L129 HydrophobicContact CH2-CD1 3.97Å; W76-L129 HydrophobicContact CH2-CD2 3.83Å; W76-L129 HydrophobicContact CH2-CG 4.37Å; W76-L129 HydrophobicContact CZ2-CD2 3.95Å
77S98.9Very high98.7Very high0 Ų014.8 Ų14.80%09%0.087CC..EExtended strand (participates in β ladder)trans-136.9155.6169.557.80000109.9G52 C53 L54G52-S77 PolarHBondContact O-N 2.9Å; G52-S77 PolarHBondContact O-OG 2.79Å; C53-S77 WeakPolarHBondContact CA-O 3.29Å; L54-S77 PolarHBondContact N-O 2.81Å; L54-S77 VanDerWaalsContact N-O 3.14Å; L54-S77 VanDerWaalsContact O-O 3.14Å
78S98.8Very high98.7Very high0 Ų014.8 Ų14.80%09%0.087CC..  trans-74.7151.7170.7-168.30000110N80 S83 T84 Y110S78-N80 PolarHBondContact OG-N 2.87Å; S78-N80 PolarHBondContact OG-O 3.09Å; S78-S83 PolarHBondContact OG-OG 3.15Å; S78-T84 WeakPolarHBondContact CB-OG1 3.26Å; S78-T84 PolarHBondContact OG-OG1 3.38Å; S78-Y110 VanDerWaalsContact O-CE2 3.22Å; S78-Y110 WeakPolarHBondContact O-CE2 3.47Å
79C98Very high98.7Very high5 Ų512.1 Ų12.13%0.0347%0.07CC..SBendtrans-965.7169.863.70000112.9H55 Y110 D131H55-C79 PolarHBondContact CE1-SG 3.39Å; H55-C79 PolarHBondContact N-SG 2.86Å; H55-C79 PolarHBondContact ND1-SG 3.46Å; H55-C79 VanDerWaalsContact ND1-SG 3.38Å; C79-Y110 WeakPolarHBondContact CA-OH 3.29Å; C79-Y110 PolarHBondContact O-OH 3.25Å; C79-D131 VanDerWaalsContact CB-O 3.27Å; C79-D131 WeakPolarHBondContact CB-O 3.21Å
80N98Very high98.7Very high13 Ų1310.8 Ų10.87%0.076%0.06CC..SBendtrans-150.3137.7174.1-173.7-78.5000111.3S78 F82 S83S78-N80 PolarHBondContact OG-N 2.87Å; S78-N80 PolarHBondContact OG-O 3.09Å; N80-F82 PolarHBondContact O-N 2.69Å; N80-F82 PolarHBondContact OD1-N 2.88Å; N80-S83 WeakPolarHBondContact CB-OG 3.29Å; N80-S83 PolarHBondContact O-N 3.39Å; N80-S83 PolarHBondContact O-OG 2.88Å
81I98.2Very high98.7Very high11 Ų1110.9 Ų10.96%0.0566%0.061CC..THydrogen-bonded Turntrans-64.9-20.3-174.364.5171.1000114.4G104 E105 Y110 R343I81-G104 PolarHBondContact O-N 3.49Å; I81-E105 HydrophobicContact CB-CB 3.96Å; I81-E105 WeakPolarHBondContact CB-O 3.3Å; I81-E105 HydrophobicContact CG2-CB 3.95Å; I81-E105 PolarHBondContact O-N 3.05Å; I81-Y110 HydrophobicContact CG2-CD2 4.04Å; I81-Y110 HydrophobicContact CG2-CG 4.02Å; I81-R343 VanDerWaalsContact CD1-CZ 3.47Å; I81-R343 VanDerWaalsContact CD1-NE 3.31Å
82F97.9Very high98.7Very high9 Ų910 Ų104%0.0395%0.051CC..THydrogen-bonded Turntrans-111.9-3.3-179.6-59.9-45.5000113.7N80 K103 Q324 E341 R343N80-F82 PolarHBondContact O-N 2.69Å; N80-F82 PolarHBondContact OD1-N 2.88Å; F82-K103 PolarHBondContact O-NZ 2.92Å; F82-Q324 HydrophobicContact CD1-CG 4.19Å; F82-Q324 HydrophobicContact CD2-CG 4.2Å; F82-Q324 HydrophobicContact CE1-CG 4.45Å; F82-Q324 VanDerWaalsContact CE1-NE2 3.32Å; F82-Q324 HydrophobicContact CE2-CG 4.44Å; F82-Q324 HydrophobicContact CG-CG 4.08Å; F82-E341 HydrophobicContact CE2-CB 4.34Å; F82-E341 HydrophobicContact CE2-CG 4.38Å; F82-E341 VanDerWaalsContact CZ-OE1 3.23Å; F82-E341 WeakPolarHBondContact CZ-OE1 3.46Å; F82-R343 HydrophobicContact CD2-CB 4.37Å
83S98.3Very high98.7Very high2 Ų29.8 Ų9.81%0.0145%0.05CC..THydrogen-bonded Turntrans-86-16-173.6590000114.7H55 S78 N80 Q85H55-S83 WeakPolarHBondContact ND1-CB 3.39Å; H55-S83 PolarHBondContact ND1-OG 2.9Å; S78-S83 PolarHBondContact OG-OG 3.15Å; N80-S83 WeakPolarHBondContact CB-OG 3.29Å; N80-S83 PolarHBondContact O-N 3.39Å; N80-S83 PolarHBondContact O-OG 2.88Å; S83-Q85 PolarHBondContact O-N 3.36Å
84T98.8Very high98.7Very high2 Ų213.5 Ų13.51%0.0127%0.065CC..  trans-61.6133.3-177.8-58.50000110.9M56 S78 A89 A101 W102 K103M56-T84 HydrophobicContact CB-CG2 4Å; M56-T84 HydrophobicContact CG-CG2 4.24Å; S78-T84 WeakPolarHBondContact CB-OG1 3.26Å; S78-T84 PolarHBondContact OG-OG1 3.38Å; T84-A89 HydrophobicContact CG2-CB 4.08Å; T84-A101 HydrophobicContact CG2-CB 4.02Å; T84-W102 VanDerWaalsContact CB-C 3.44Å; T84-W102 PolarHBondContact OG1-O 2.98Å; T84-K103 WeakPolarHBondContact O-CB 3.44Å
85Q98.8Very high98.7Very high14 Ų1415.6 Ų15.67%0.0658%0.083CC..  trans-100.1102.4168-62.5175.79.400107.6M56 T57 V58 S83 H87 A88 A89 M351M56-Q85 PolarHBondContact O-N 3.25Å; T57-Q85 HydrophobicContact CG2-CG 4.31Å; V58-Q85 VanDerWaalsContact CG2-OE1 3.26Å; S83-Q85 PolarHBondContact O-N 3.36Å; Q85-H87 PolarHBondContact O-N 3.08Å; Q85-H87 VanDerWaalsContact O-N 3.08Å; Q85-A88 HydrophobicContact CB-CB 4.17Å; Q85-A88 WeakPolarHBondContact O-CA 3.28Å; Q85-A88 WeakPolarHBondContact O-CB 3.35Å; Q85-A88 PolarHBondContact O-N 2.93Å; Q85-A89 PolarHBondContact O-N 2.79Å; Q85-A89 VanDerWaalsContact O-N 3.12Å; Q85-M351 HydrophobicContact CG-CE 3.78Å; Q85-M351 PolarHBondContact NE2-O 3.25Å
86D98.9Very high98.6Very high38 Ų3818 Ų1820%0.20311%0.111CC..Hα-helixtrans-58.2-33.2-166.7-62.6-47.1000113.9A10 L14 A89 A90 W102 K103A10-D86 HydrophobicContact CB-CB 4.02Å; L14-D86 HydrophobicContact CD1-CB 3.86Å; D86-A89 PolarHBondContact O-N 2.84Å; D86-A90 VanDerWaalsContact O-CB 3.29Å; D86-A90 WeakPolarHBondContact O-CB 3.45Å; D86-A90 PolarHBondContact O-N 2.65Å; D86-W102 WeakPolarHBondContact OD1-CA 3.48Å; D86-K103 PolarHBondContact OD1-N 3.31Å
87H98.8Very high98.6Very high14 Ų1418.9 Ų18.97%0.06512%0.115CC..Hα-helixtrans-65.9-35.6174.966-67.5000113.1L14 W17 G18 Q85 A91L14-H87 HydrophobicContact CB-CB 3.92Å; L14-H87 HydrophobicContact CD1-CB 4.49Å; W17-H87 HydrophobicContact CD2-CB 3.83Å; W17-H87 AromaticContact CD2-CD2 3.88Å; W17-H87 AromaticContact CD2-CG 3.91Å; W17-H87 AromaticContact CE2-CD2 3.63Å; W17-H87 AromaticContact CE2-CG 3.93Å; W17-H87 HydrophobicContact CE3-CB 3.58Å; W17-H87 AromaticContact CE3-CG 3.96Å; W17-H87 HydrophobicContact CG-CB 4.36Å; W17-H87 HydrophobicContact CH2-CB 4.46Å; W17-H87 AromaticContact CH2-ND1 3.97Å; W17-H87 AromaticContact CZ2-CD2 3.94Å; W17-H87 AromaticContact CZ2-NE2 3.97Å; W17-H87 HydrophobicContact CZ3-CB 3.93Å; W17-H87 AromaticContact NE1-CD2 3.81Å; G18-H87 WeakPolarHBondContact CA-O 3.23Å; Q85-H87 PolarHBondContact O-N 3.08Å; Q85-H87 VanDerWaalsContact O-N 3.08Å; H87-A91 PolarHBondContact O-N 3.22Å; H87-A91 VanDerWaalsContact O-N 3.12Å
88A98.8Very high98.6Very high0 Ų020.4 Ų20.40%013%0.125CC..Hα-helixtrans-69.3-46173.400000111.3M56 T57 V58 A61 Q85 A90 A91 I92M56-A88 HydrophobicContact CE-CB 4.47Å; T57-A88 VanDerWaalsContact C-CB 3.47Å; T57-A88 WeakPolarHBondContact O-CB 3.33Å; V58-A88 HydrophobicContact CB-CB 4.49Å; V58-A88 HydrophobicContact CG2-CB 3.93Å; A61-A88 HydrophobicContact CB-CB 4.43Å; Q85-A88 HydrophobicContact CB-CB 4.17Å; Q85-A88 WeakPolarHBondContact O-CA 3.28Å; Q85-A88 WeakPolarHBondContact O-CB 3.35Å; Q85-A88 PolarHBondContact O-N 2.93Å; A88-A90 VanDerWaalsContact C-N 3.29Å; A88-A90 PolarHBondContact O-N 2.85Å; A88-A91 PolarHBondContact O-N 2.69Å; A88-A91 VanDerWaalsContact O-N 3.12Å; A88-I92 PolarHBondContact O-N 3.49Å; A88-I92 VanDerWaalsContact O-N 3.09Å
89A98.9Very high98.6Very high0 Ų020.4 Ų20.40%013%0.125CC..Hα-helixtrans-57.7-43.1174.900000111.4V9 M56 T84 Q85 D86 A91 I92 A93V9-A89 HydrophobicContact CB-CB 4.4Å; V9-A89 HydrophobicContact CG1-CB 3.87Å; M56-A89 HydrophobicContact CG-CB 3.79Å; T84-A89 HydrophobicContact CG2-CB 4.08Å; Q85-A89 PolarHBondContact O-N 2.79Å; Q85-A89 VanDerWaalsContact O-N 3.12Å; D86-A89 PolarHBondContact O-N 2.84Å; A89-A91 PolarHBondContact O-N 2.69Å; A89-I92 PolarHBondContact O-N 3.16Å; A89-A93 WeakPolarHBondContact O-CB 3.25Å; A89-A93 PolarHBondContact O-N 2.88Å
90A98.9Very high98.7Very high0 Ų020.2 Ų20.20%012%0.124CC..Hα-helixtrans-61.5-39.9175.700000112.8D11 I12 L14 A15 D86 A88 K94D11-A90 VanDerWaalsContact O-CB 3.28Å; D11-A90 WeakPolarHBondContact O-CB 3.22Å; I12-A90 WeakPolarHBondContact CD1-O 3.49Å; L14-A90 HydrophobicContact CB-CB 3.97Å; A15-A90 HydrophobicContact CB-CB 4.16Å; A15-A90 WeakPolarHBondContact CB-O 3.45Å; D86-A90 VanDerWaalsContact O-CB 3.29Å; D86-A90 WeakPolarHBondContact O-CB 3.45Å; D86-A90 PolarHBondContact O-N 2.65Å; A88-A90 VanDerWaalsContact C-N 3.29Å; A88-A90 PolarHBondContact O-N 2.85Å; A90-K94 VanDerWaalsContact O-CB 3.23Å; A90-K94 WeakPolarHBondContact O-CB 3.37Å; A90-K94 PolarHBondContact O-N 2.91Å
91A98.9Very high98.7Very high2 Ų219.6 Ų19.62%0.01712%0.12CC..Hα-helixtrans-64.5-41.7176.600000112.2L22 H87 A88 A89 K94 A95L22-A91 HydrophobicContact CD1-CB 4.39Å; L22-A91 HydrophobicContact CD2-CB 4.46Å; H87-A91 PolarHBondContact O-N 3.22Å; H87-A91 VanDerWaalsContact O-N 3.12Å; A88-A91 PolarHBondContact O-N 2.69Å; A88-A91 VanDerWaalsContact O-N 3.12Å; A89-A91 PolarHBondContact O-N 2.69Å; A91-K94 PolarHBondContact O-N 3.04Å; A91-A95 PolarHBondContact O-N 2.92Å
92I98.9Very high98.7Very high0 Ų020.4 Ų20.40%012%0.123CC..Hα-helixtrans-65.1-47.1175.6-68.4-55.2000111.5M56 A61 I64 E65 A88 A89 K94 A95 G96 I97 V99M56-I92 HydrophobicContact CE-CG1 3.91Å; A61-I92 HydrophobicContact CB-CD1 3.68Å; A61-I92 HydrophobicContact CB-CG1 3.65Å; I64-I92 HydrophobicContact CB-CD1 4.21Å; I64-I92 HydrophobicContact CD1-CG1 4.32Å; I64-I92 HydrophobicContact CD1-CG2 4.4Å; I64-I92 HydrophobicContact CG2-CD1 3.99Å; I64-I92 HydrophobicContact CG2-CG2 4.31Å; E65-I92 HydrophobicContact CG-CD1 3.96Å; A88-I92 PolarHBondContact O-N 3.49Å; A88-I92 VanDerWaalsContact O-N 3.09Å; A89-I92 PolarHBondContact O-N 3.16Å; I92-K94 VanDerWaalsContact C-N 3.3Å; I92-K94 PolarHBondContact O-N 2.61Å; I92-A95 WeakPolarHBondContact O-CB 3.47Å; I92-A95 PolarHBondContact O-N 2.78Å; I92-A95 VanDerWaalsContact O-N 3.14Å; I92-G96 PolarHBondContact O-N 3.4Å; I92-I97 HydrophobicContact CD1-CD1 4.48Å; I92-I97 HydrophobicContact CG2-CB 3.76Å; I92-I97 HydrophobicContact CG2-CD1 4.48Å; I92-I97 HydrophobicContact CG2-CG2 3.89Å; I92-I97 PolarHBondContact O-N 2.95Å; I92-V99 HydrophobicContact CB-CG1 4.21Å; I92-V99 HydrophobicContact CG2-CB 3.88Å; I92-V99 HydrophobicContact CG2-CG1 3.81Å
93A98.8Very high98.8Very high3 Ų323.2 Ų23.23%0.02514%0.135CC..Hα-helixtrans-58.8-43175.100000111.6Y7 V9 I12 A89 A95 G96 V99Y7-A93 HydrophobicContact CD1-CB 4.15Å; Y7-A93 HydrophobicContact CD2-CB 3.78Å; Y7-A93 HydrophobicContact CE2-CB 4.19Å; Y7-A93 HydrophobicContact CG-CB 3.77Å; V9-A93 HydrophobicContact CG1-CB 3.98Å; V9-A93 HydrophobicContact CG2-CB 4.32Å; I12-A93 HydrophobicContact CD1-CB 3.63Å; A89-A93 WeakPolarHBondContact O-CB 3.25Å; A89-A93 PolarHBondContact O-N 2.88Å; A93-A95 VanDerWaalsContact C-N 3.28Å; A93-A95 PolarHBondContact O-N 2.92Å; A93-G96 PolarHBondContact O-N 2.89Å; A93-V99 HydrophobicContact CB-CG1 3.68Å
94K98.8Very high98.8Very high152 Ų15225 Ų2566%0.66115%0.153SC*.Hα-helixtrans-66.2-29178.5-173.463174.7-176.20112.9I12 A15 A90 A91 I92 G96I12-K94 HydrophobicContact CD1-CB 4.19Å; A15-K94 HydrophobicContact CB-CB 3.61Å; A15-K94 HydrophobicContact CB-CG 3.9Å; A90-K94 VanDerWaalsContact O-CB 3.23Å; A90-K94 WeakPolarHBondContact O-CB 3.37Å; A90-K94 PolarHBondContact O-N 2.91Å; A91-K94 PolarHBondContact O-N 3.04Å; I92-K94 VanDerWaalsContact C-N 3.3Å; I92-K94 PolarHBondContact O-N 2.61Å; K94-G96 PolarHBondContact O-N 3.45Å
95A98.6Very high98.7Very high52 Ų5225.1 Ų25.143%0.4315%0.153SC..THydrogen-bonded Turntrans-72.9-3.2172.300000113.2A91 I92 A93 I97A91-A95 PolarHBondContact O-N 2.92Å; I92-A95 WeakPolarHBondContact O-CB 3.47Å; I92-A95 PolarHBondContact O-N 2.78Å; I92-A95 VanDerWaalsContact O-N 3.14Å; A93-A95 VanDerWaalsContact C-N 3.28Å; A93-A95 PolarHBondContact O-N 2.92Å; A95-I97 HydrophobicContact CB-CD1 4.38Å
96G98.5Very high98.7Very high62 Ų6227.9 Ų27.964%0.63917%0.172SC*.THydrogen-bonded Turntrans84.715.717800000114I92 A93 K94I92-G96 PolarHBondContact O-N 3.4Å; A93-G96 PolarHBondContact O-N 2.89Å; K94-G96 PolarHBondContact O-N 3.45Å
97I98.9Very high98.6Very high18 Ų1831 Ų319%0.09219%0.189CC..  trans-95125.5178.4-58.4168.4000108.2I64 E65 V68 V74 I92 A95 V99I64-I97 HydrophobicContact CG2-CD1 3.78Å; I64-I97 HydrophobicContact CG2-CG2 3.97Å; E65-I97 HydrophobicContact CG-CD1 4.44Å; V68-I97 HydrophobicContact CG2-CD1 3.9Å; V68-I97 HydrophobicContact CG2-CG1 4.39Å; V74-I97 HydrophobicContact CB-CG2 4.42Å; I92-I97 HydrophobicContact CD1-CD1 4.48Å; I92-I97 HydrophobicContact CG2-CB 3.76Å; I92-I97 HydrophobicContact CG2-CD1 4.48Å; I92-I97 HydrophobicContact CG2-CG2 3.89Å; I92-I97 PolarHBondContact O-N 2.95Å; A95-I97 HydrophobicContact CB-CD1 4.38Å; I97-V99 PolarHBondContact O-N 2.97Å; I97-V99 VanDerWaalsContact O-N 3.11Å
98P98.8Very high98.5Very high31 Ų3138.5 Ų38.520%0.20122%0.223CC..  trans-64.2114.5179.3-2233.1000111.8P6 Q75 W76 Y100P6-P98 WeakPolarHBondContact O-CA 3.21Å; P6-P98 VanDerWaalsContact O-CB 3.28Å; P6-P98 WeakPolarHBondContact O-CB 3.43Å; Q75-P98 CarbonylContact C-O 3.03Å; Q75-P98 VanDerWaalsContact CA-O 3.32Å; Q75-P98 WeakPolarHBondContact CA-O 3.38Å; Q75-P98 HydrophobicContact CB-CB 4.32Å; Q75-P98 HydrophobicContact CG-CB 3.82Å; Q75-P98 HydrophobicContact CG-CG 3.93Å; W76-P98 PolarHBondContact N-O 2.88Å; P98-Y100 HydrophobicContact CB-CE2 3.94Å
99V98.9Very high98.5Very high0 Ų041.3 Ų41.30%024%0.236CC..EExtended strand (participates in β ladder)trans-130132.7176.556.80000109.2Y7 K8 V9 M56 W76 I92 A93 I97 A101Y7-V99 CarbonylContact C-O 3.5Å; Y7-V99 WeakPolarHBondContact CA-O 3.39Å; Y7-V99 VanDerWaalsContact CB-O 3.31Å; Y7-V99 WeakPolarHBondContact CB-O 3.3Å; K8-V99 PolarHBondContact N-O 3.25Å; V9-V99 HydrophobicContact CG1-CG1 3.78Å; M56-V99 HydrophobicContact CG-CG2 4Å; M56-V99 HydrophobicContact SD-CG2 3.69Å; W76-V99 HydrophobicContact CB-CG2 4.4Å; W76-V99 WeakPolarHBondContact O-CA 3.43Å; I92-V99 HydrophobicContact CB-CG1 4.21Å; I92-V99 HydrophobicContact CG2-CB 3.88Å; I92-V99 HydrophobicContact CG2-CG1 3.81Å; A93-V99 HydrophobicContact CB-CG1 3.68Å; I97-V99 PolarHBondContact O-N 2.97Å; I97-V99 VanDerWaalsContact O-N 3.11Å; V99-A101 HydrophobicContact CG2-CB 4.11Å
100Y98.9Very high98.5Very high2 Ų242.7 Ų42.71%0.00824%0.242CC..EExtended strand (participates in β ladder)trans-125.486.3-179.6-51.9-89.1000106.8K4 L5 K8 W76 P98 W112 C113 Q116 T117K4-Y100 WeakPolarHBondContact CE-OH 3.48Å; L5-Y100 HydrophobicContact CB-CE1 4.33Å; L5-Y100 WeakPolarHBondContact O-CE1 3.44Å; L5-Y100 PolarHBondContact O-OH 3.31Å; K8-Y100 HydrophobicContact CB-CD1 4.03Å; K8-Y100 WeakPolarHBondContact O-CA 3.41Å; W76-Y100 PolarHBondContact O-N 3.35Å; P98-Y100 HydrophobicContact CB-CE2 3.94Å; Y100-W112 AromaticContact CD1-CH2 3.89Å; Y100-W112 HydrophobicContact CD1-CH2 3.89Å; Y100-W112 HydrophobicContact CD1-CZ3 4.06Å; Y100-W112 HydrophobicContact CE1-CH2 4.47Å; Y100-C113 VanDerWaalsContact O-CB 3.28Å; Y100-C113 WeakPolarHBondContact O-CB 3.32Å; Y100-C113 PolarHBondContact O-SG 2.8Å; Y100-Q116 HydrophobicContact CD1-CB 3.74Å; Y100-Q116 HydrophobicContact CD1-CG 3.74Å; Y100-Q116 HydrophobicContact CD2-CB 3.45Å; Y100-Q116 VanDerWaalsContact CD2-CB 3.45Å; Y100-Q116 HydrophobicContact CD2-CG 4.35Å; Y100-Q116 HydrophobicContact CE1-CB 3.77Å; Y100-Q116 HydrophobicContact CE1-CG 3.9Å; Y100-Q116 HydrophobicContact CE2-CB 3.48Å; Y100-Q116 VanDerWaalsContact CE2-CB 3.48Å; Y100-Q116 HydrophobicContact CE2-CG 4.49Å; Y100-Q116 HydrophobicContact CG-CB 3.58Å; Y100-Q116 HydrophobicContact CG-CG 3.97Å; Y100-T117 HydrophobicContact CD2-CG2 4.5Å
101A98.8Very high98.5Very high0 Ų046.1 Ų46.10%026%0.26CS..  trans-160.7135.5-174.500000111.2K8 M56 T84 V99 E105K8-A101 PolarHBondContact O-N 3Å; M56-A101 HydrophobicContact CB-CB 3.77Å; M56-A101 HydrophobicContact CG-CB 3.88Å; T84-A101 HydrophobicContact CG2-CB 4.02Å; V99-A101 HydrophobicContact CG2-CB 4.11Å; A101-E105 VanDerWaalsContact CA-OE1 3.26Å; A101-E105 WeakPolarHBondContact CA-OE1 3.35Å
102W98.9Very high98.5Very high27 Ų2749.7 Ų49.710%0.10227%0.273CS..  trans-148.7162.1167.156.394.2000111.2K8 A10 T84 D86 E105 E109 W112 C113K8-W102 HydrophobicContact CB-CZ3 4.08Å; K8-W102 HydrophobicContact CD-CE3 4.44Å; K8-W102 HydrophobicContact CD-CH2 3.69Å; K8-W102 HydrophobicContact CD-CZ3 3.55Å; K8-W102 HydrophobicContact CG-CE3 4.19Å; K8-W102 HydrophobicContact CG-CH2 4.32Å; K8-W102 HydrophobicContact CG-CZ3 3.68Å; A10-W102 HydrophobicContact CB-CB 3.91Å; T84-W102 VanDerWaalsContact CB-C 3.44Å; T84-W102 PolarHBondContact OG1-O 2.98Å; D86-W102 WeakPolarHBondContact OD1-CA 3.48Å; W102-E105 HydrophobicContact CD2-CG 3.87Å; W102-E105 HydrophobicContact CG-CG 4.07Å; W102-E105 HydrophobicContact CZ2-CG 3.96Å; W102-E105 PolarHBondContact N-OE1 3.03Å; W102-E105 WeakPolarHBondContact O-CG 3.21Å; W102-E109 HydrophobicContact CH2-CB 4.09Å; W102-E109 HydrophobicContact CH2-CG 4.38Å; W102-E109 HydrophobicContact CZ2-CB 3.66Å; W102-E109 HydrophobicContact CZ2-CG 3.82Å; W102-E109 WeakPolarHBondContact CZ2-OE1 3.46Å; W102-W112 HydrophobicContact CH2-CE3 4.34Å; W102-W112 HydrophobicContact CH2-CZ3 4.22Å; W102-W112 HydrophobicContact CZ3-CZ3 4.27Å; W102-C113 WeakPolarHBondContact CZ3-SG 3.09Å
103K98.6Very high98.5Very high69 Ų6949.7 Ų49.730%0.327%0.273SS..THydrogen-bonded Turntrans-77.8130.4175.7-164.5177.9176.181.10110.1F82 T84 D86 G348F82-K103 PolarHBondContact O-NZ 2.92Å; T84-K103 WeakPolarHBondContact O-CB 3.44Å; D86-K103 PolarHBondContact OD1-N 3.31Å; K103-G348 PolarHBondContact NZ-O 2.93Å
104G97.8Very high98.5Very high38 Ų3849.7 Ų49.739%0.39227%0.273SS..THydrogen-bonded Turntrans86.435.7-179.900000113.6I81I81-G104 PolarHBondContact O-N 3.49Å
105E98.4Very high98.5Very high5 Ų544.4 Ų44.42%0.02325%0.25CS..  trans-59.8146.1167.6-73162.5-163.100111I81 A101 W102 E109I81-E105 HydrophobicContact CB-CB 3.96Å; I81-E105 WeakPolarHBondContact CB-O 3.3Å; I81-E105 HydrophobicContact CG2-CB 3.95Å; I81-E105 PolarHBondContact O-N 3.05Å; A101-E105 VanDerWaalsContact CA-OE1 3.26Å; A101-E105 WeakPolarHBondContact CA-OE1 3.35Å; W102-E105 HydrophobicContact CD2-CG 3.87Å; W102-E105 HydrophobicContact CG-CG 4.07Å; W102-E105 HydrophobicContact CZ2-CG 3.96Å; W102-E105 PolarHBondContact N-OE1 3.03Å; W102-E105 WeakPolarHBondContact O-CG 3.21Å; E105-E109 HydrophobicContact CB-CB 4.37Å
106T98.2Very high98.5Very high73 Ų7343.4 Ų43.445%0.44824%0.237SC..  trans-76.8162.1159.359.20000110.5E108 E109 Y110T106-E108 PolarHBondContact O-N 3.14Å; T106-E109 WeakPolarHBondContact CG2-OE2 3.28Å; T106-E109 PolarHBondContact N-OE2 2.82Å; T106-E109 PolarHBondContact O-N 3.47Å; T106-E109 VanDerWaalsContact O-N 3.15Å; T106-E109 WeakPolarHBondContact OG1-CB 3.33Å; T106-E109 VanDerWaalsContact OG1-CD 3.28Å; T106-E109 WeakPolarHBondContact OG1-CG 3.27Å; T106-E109 PolarHBondContact OG1-N 3.48Å; T106-E109 PolarHBondContact OG1-OE2 2.86Å; T106-Y110 WeakPolarHBondContact O-CB 3.4Å; T106-Y110 PolarHBondContact O-N 2.84Å
107D95.7Very high98.5Very high104 Ų10440.5 Ų40.556%0.55621%0.206SC*.Hα-helixtrans-61.3-32177.8-62-33000112.5L111 R343D107-L111 PolarHBondContact O-N 3.45Å; D107-R343 IonicContact OD1-NH2 2.65Å; D107-R343 PolarHBondContact OD1-NH2 3.39Å
108E98.1Very high98.5Very high170 Ų17039.6 Ų39.679%0.79420%0.202SC*.Hα-helixtrans-68.1-42.6174.8-67.1-175.8-17900111.9T106 W112T106-E108 PolarHBondContact O-N 3.14Å; E108-W112 WeakPolarHBondContact O-CB 3.42Å; E108-W112 PolarHBondContact O-N 3.45Å
109E98.7Very high98.5Very high59 Ų5943 Ų4328%0.27621%0.212SC..Hα-helixtrans-67.7-39.5177.1-73168.8132.900112W102 E105 T106 W112 C113W102-E109 HydrophobicContact CH2-CB 4.09Å; W102-E109 HydrophobicContact CH2-CG 4.38Å; W102-E109 HydrophobicContact CZ2-CB 3.66Å; W102-E109 HydrophobicContact CZ2-CG 3.82Å; W102-E109 WeakPolarHBondContact CZ2-OE1 3.46Å; E105-E109 HydrophobicContact CB-CB 4.37Å; T106-E109 WeakPolarHBondContact CG2-OE2 3.28Å; T106-E109 PolarHBondContact N-OE2 2.82Å; T106-E109 PolarHBondContact O-N 3.47Å; T106-E109 VanDerWaalsContact O-N 3.15Å; T106-E109 WeakPolarHBondContact OG1-CB 3.33Å; T106-E109 VanDerWaalsContact OG1-CD 3.28Å; T106-E109 WeakPolarHBondContact OG1-CG 3.27Å; T106-E109 PolarHBondContact OG1-N 3.48Å; T106-E109 PolarHBondContact OG1-OE2 2.86Å; E109-W112 WeakPolarHBondContact O-CB 3.44Å; E109-W112 PolarHBondContact O-N 3.29Å; E109-C113 WeakPolarHBondContact O-CB 3.45Å; E109-C113 PolarHBondContact O-N 3.49Å; E109-C113 PolarHBondContact O-SG 3.41Å
110Y98.6Very high98.4Very high29 Ų2943.6 Ų43.611%0.11421%0.214CC..Hα-helixtrans-54.5-53.6174173.5-108000111.4S78 C79 I81 T106 W112 C113 I114 D134S78-Y110 VanDerWaalsContact O-CE2 3.22Å; S78-Y110 WeakPolarHBondContact O-CE2 3.47Å; C79-Y110 WeakPolarHBondContact CA-OH 3.29Å; C79-Y110 PolarHBondContact O-OH 3.25Å; I81-Y110 HydrophobicContact CG2-CD2 4.04Å; I81-Y110 HydrophobicContact CG2-CG 4.02Å; T106-Y110 WeakPolarHBondContact O-CB 3.4Å; T106-Y110 PolarHBondContact O-N 2.84Å; Y110-W112 VanDerWaalsContact C-N 3.32Å; Y110-W112 PolarHBondContact O-N 3.18Å; Y110-C113 WeakPolarHBondContact O-CB 3.31Å; Y110-C113 PolarHBondContact O-N 3.4Å; Y110-I114 HydrophobicContact CD1-CD1 4.32Å; Y110-I114 HydrophobicContact CE1-CD1 3.76Å; Y110-I114 HydrophobicContact CE2-CD1 4.24Å; Y110-I114 WeakPolarHBondContact O-CG1 3.39Å; Y110-I114 PolarHBondContact O-N 3.42Å; Y110-D134 WeakPolarHBondContact CE1-OD2 3.38Å; Y110-D134 PolarHBondContact OH-OD2 2.72Å
111L98.4Very high98.3Very high73 Ų7352.1 Ų52.138%0.38225%0.251SS..Hα-helixtrans-60.7-43.2177.2179.861.7000111.6D107 C113 I114 E115 L138D107-L111 PolarHBondContact O-N 3.45Å; L111-C113 VanDerWaalsContact C-N 3.3Å; L111-C113 PolarHBondContact O-N 3.03Å; L111-I114 PolarHBondContact O-N 3.34Å; L111-E115 WeakPolarHBondContact O-CG 3.44Å; L111-E115 PolarHBondContact O-N 3.04Å; L111-E115 VanDerWaalsContact O-N 3.09Å; L111-L138 HydrophobicContact CD1-CD1 3.85Å; L111-L138 HydrophobicContact CD1-CD2 4.31Å
112W98.7Very high98.2Very high77 Ų7757.5 Ų57.529%0.29228%0.28SS..Hα-helixtrans-59.5-40.4177.3173.789.5000112.2L5 K8 Y100 W102 E108 E109 Y110 E115 Q116L5-W112 HydrophobicContact CD1-CH2 4.07Å; L5-W112 HydrophobicContact CD1-CZ2 4.2Å; K8-W112 HydrophobicContact CB-CH2 4.08Å; K8-W112 HydrophobicContact CB-CZ3 4.16Å; K8-W112 HydrophobicContact CD-CH2 3.64Å; K8-W112 HydrophobicContact CD-CZ3 3.61Å; K8-W112 HydrophobicContact CG-CH2 4.5Å; K8-W112 HydrophobicContact CG-CZ3 4.49Å; Y100-W112 AromaticContact CD1-CH2 3.89Å; Y100-W112 HydrophobicContact CD1-CH2 3.89Å; Y100-W112 HydrophobicContact CD1-CZ3 4.06Å; Y100-W112 HydrophobicContact CE1-CH2 4.47Å; W102-W112 HydrophobicContact CH2-CE3 4.34Å; W102-W112 HydrophobicContact CH2-CZ3 4.22Å; W102-W112 HydrophobicContact CZ3-CZ3 4.27Å; E108-W112 WeakPolarHBondContact O-CB 3.42Å; E108-W112 PolarHBondContact O-N 3.45Å; E109-W112 WeakPolarHBondContact O-CB 3.44Å; E109-W112 PolarHBondContact O-N 3.29Å; Y110-W112 VanDerWaalsContact C-N 3.32Å; Y110-W112 PolarHBondContact O-N 3.18Å; W112-E115 PolarHBondContact O-N 3.36Å; W112-Q116 HydrophobicContact CD2-CG 3.97Å; W112-Q116 HydrophobicContact CE3-CG 4.05Å; W112-Q116 HydrophobicContact CH2-CG 3.64Å; W112-Q116 HydrophobicContact CZ2-CG 3.57Å; W112-Q116 HydrophobicContact CZ3-CG 3.88Å; W112-Q116 VanDerWaalsContact O-CG 3.3Å; W112-Q116 WeakPolarHBondContact O-CG 3.3Å; W112-Q116 PolarHBondContact O-N 3.03Å; W112-Q116 VanDerWaalsContact O-N 3.09Å; W112-Q116 PolarHBondContact O-NE2 2.9Å; W112-Q116 VanDerWaalsContact O-NE2 3.14Å
113C98.9Very high98.1Very high0 Ų057.1 Ų57.10%029%0.285CS..Hα-helixtrans-60.4-46.6177.4-78.40000111.3Y100 W102 E109 Y110 L111 E115 Q116Y100-C113 VanDerWaalsContact O-CB 3.28Å; Y100-C113 WeakPolarHBondContact O-CB 3.32Å; Y100-C113 PolarHBondContact O-SG 2.8Å; W102-C113 WeakPolarHBondContact CZ3-SG 3.09Å; E109-C113 WeakPolarHBondContact O-CB 3.45Å; E109-C113 PolarHBondContact O-N 3.49Å; E109-C113 PolarHBondContact O-SG 3.41Å; Y110-C113 WeakPolarHBondContact O-CB 3.31Å; Y110-C113 PolarHBondContact O-N 3.4Å; L111-C113 VanDerWaalsContact C-N 3.3Å; L111-C113 PolarHBondContact O-N 3.03Å; C113-E115 VanDerWaalsContact C-N 3.33Å; C113-E115 PolarHBondContact O-N 2.9Å; C113-Q116 WeakPolarHBondContact O-CB 3.35Å; C113-Q116 PolarHBondContact O-N 3.19Å
114I98.8Very high98.1Very high3 Ų356 Ų562%0.01529%0.285CS..Hα-helixtrans-60.1-45.2176.7-56.9172.8000110.1Y110 L111 Q116 T117 D134 L135 L138Y110-I114 HydrophobicContact CD1-CD1 4.32Å; Y110-I114 HydrophobicContact CE1-CD1 3.76Å; Y110-I114 HydrophobicContact CE2-CD1 4.24Å; Y110-I114 WeakPolarHBondContact O-CG1 3.39Å; Y110-I114 PolarHBondContact O-N 3.42Å; L111-I114 PolarHBondContact O-N 3.34Å; I114-Q116 PolarHBondContact O-N 2.95Å; I114-T117 WeakPolarHBondContact O-CB 3.38Å; I114-T117 PolarHBondContact O-N 3.15Å; I114-T117 PolarHBondContact O-OG1 3.41Å; I114-D134 HydrophobicContact CD1-CB 4.28Å; I114-L135 HydrophobicContact CG2-CB 4.19Å; I114-L135 HydrophobicContact CG2-CD1 3.66Å; I114-L138 HydrophobicContact CB-CD2 4.14Å; I114-L138 HydrophobicContact CG2-CD2 3.53Å
115E98.6Very high98.2Very high41 Ų4154.3 Ų54.319%0.19227%0.266CS..Hα-helixtrans-60-32.3178.4-71.3-178.116500113.3L111 W112 C113 T117 L118 L138 K142 Y143L111-E115 WeakPolarHBondContact O-CG 3.44Å; L111-E115 PolarHBondContact O-N 3.04Å; L111-E115 VanDerWaalsContact O-N 3.09Å; W112-E115 PolarHBondContact O-N 3.36Å; C113-E115 VanDerWaalsContact C-N 3.33Å; C113-E115 PolarHBondContact O-N 2.9Å; E115-T117 PolarHBondContact O-N 3.15Å; E115-L118 PolarHBondContact O-N 3.11Å; E115-L138 HydrophobicContact CG-CD2 4.1Å; E115-K142 IonicContact OE1-NZ 3.81Å; E115-K142 PolarHBondContact OE1-NZ 3.29Å; E115-Y143 HydrophobicContact CG-CE2 4.49Å; E115-Y143 PolarHBondContact OE1-OH 3.3Å
116Q98.7Very high98.2Very high31 Ų3154.6 Ų54.615%0.14527%0.268CS..Hα-helixtrans-65.9-22176.8-61.1-36.6-70.900112.6K4 Q75 Y100 W112 C113 I114 L118K4-Q116 WeakPolarHBondContact CE-O 3.47Å; K4-Q116 PolarHBondContact NZ-O 2.97Å; Q75-Q116 PolarHBondContact NE2-O 3.38Å; Y100-Q116 HydrophobicContact CD1-CB 3.74Å; Y100-Q116 HydrophobicContact CD1-CG 3.74Å; Y100-Q116 HydrophobicContact CD2-CB 3.45Å; Y100-Q116 VanDerWaalsContact CD2-CB 3.45Å; Y100-Q116 HydrophobicContact CD2-CG 4.35Å; Y100-Q116 HydrophobicContact CE1-CB 3.77Å; Y100-Q116 HydrophobicContact CE1-CG 3.9Å; Y100-Q116 HydrophobicContact CE2-CB 3.48Å; Y100-Q116 VanDerWaalsContact CE2-CB 3.48Å; Y100-Q116 HydrophobicContact CE2-CG 4.49Å; Y100-Q116 HydrophobicContact CG-CB 3.58Å; Y100-Q116 HydrophobicContact CG-CG 3.97Å; W112-Q116 HydrophobicContact CD2-CG 3.97Å; W112-Q116 HydrophobicContact CE3-CG 4.05Å; W112-Q116 HydrophobicContact CH2-CG 3.64Å; W112-Q116 HydrophobicContact CZ2-CG 3.57Å; W112-Q116 HydrophobicContact CZ3-CG 3.88Å; W112-Q116 VanDerWaalsContact O-CG 3.3Å; W112-Q116 WeakPolarHBondContact O-CG 3.3Å; W112-Q116 PolarHBondContact O-N 3.03Å; W112-Q116 VanDerWaalsContact O-N 3.09Å; W112-Q116 PolarHBondContact O-NE2 2.9Å; W112-Q116 VanDerWaalsContact O-NE2 3.14Å; C113-Q116 WeakPolarHBondContact O-CB 3.35Å; C113-Q116 PolarHBondContact O-N 3.19Å; I114-Q116 PolarHBondContact O-N 2.95Å; Q116-L118 VanDerWaalsContact C-N 3.33Å; Q116-L118 PolarHBondContact O-N 2.95Å
117T98.8Very high98.2Very high0 Ų051.1 Ų51.10%025%0.247CC..THydrogen-bonded Turntrans-79.9-12.5-177.671.60000114.1Q75 Y100 I114 E115 F120Q75-T117 HydrophobicContact CB-CG2 4.48Å; Q75-T117 PolarHBondContact NE2-O 3.19Å; Y100-T117 HydrophobicContact CD2-CG2 4.5Å; I114-T117 WeakPolarHBondContact O-CB 3.38Å; I114-T117 PolarHBondContact O-N 3.15Å; I114-T117 PolarHBondContact O-OG1 3.41Å; E115-T117 PolarHBondContact O-N 3.15Å; T117-F120 WeakPolarHBondContact O-CE2 3.41Å
118L98.8Very high98.4Very high0 Ų046.1 Ų46.10%022%0.22CC..SBendtrans-78-27.4-166.3-56.4-176.3000114.8E115 Q116 P124 L125 L135 L138 I139 Y143E115-L118 PolarHBondContact O-N 3.11Å; Q116-L118 VanDerWaalsContact C-N 3.33Å; Q116-L118 PolarHBondContact O-N 2.95Å; L118-P124 CarbonylContact O-C 3.58Å; L118-P124 WeakPolarHBondContact O-CA 2.82Å; L118-L125 HydrophobicContact CB-CD2 4.29Å; L118-L125 HydrophobicContact CD2-CD1 4.24Å; L118-L125 HydrophobicContact CD2-CD2 4.23Å; L118-L125 WeakPolarHBondContact O-CD2 3.49Å; L118-L125 PolarHBondContact O-N 2.61Å; L118-L135 HydrophobicContact CD2-CD1 3.59Å; L118-L138 HydrophobicContact CD1-CD2 4.49Å; L118-I139 HydrophobicContact CD2-CD1 4.1Å; L118-I139 HydrophobicContact CD2-CG1 4.14Å; L118-Y143 HydrophobicContact CD1-CD1 4.4Å; L118-Y143 HydrophobicContact CD1-CD2 3.7Å; L118-Y143 HydrophobicContact CD1-CE1 4.37Å; L118-Y143 HydrophobicContact CD1-CE2 3.65Å; L118-Y143 HydrophobicContact CD1-CG 4.09Å
119Y98.6Very high98.4Very high103 Ų10338 Ų3840%0.40418%0.182SC..EExtended strand (participates in β ladder)trans-119.5124.4-174.9-62.3-81.5000111.2K4 Q75 P124 L146K4-Y119 PolarHBondContact NZ-O 3.36Å; Q75-Y119 PolarHBondContact NE2-O 3.47Å; Q75-Y119 PolarHBondContact OE1-O 3.24Å; Y119-P124 HydrophobicContact CD1-CB 4.29Å; Y119-P124 HydrophobicContact CE1-CB 4.38Å; Y119-L146 HydrophobicContact CE1-CD2 4.4Å
120F98.5Very high98.4Very high12 Ų1235.2 Ų35.25%0.05317%0.169CC..EExtended strand (participates in β ladder)trans-103.6173.6176.4-68.1-114.9000109.6R49 I50 E73 Q75 T117 D122 G123 L125R49-F120 HydrophobicContact CB-CD1 4Å; R49-F120 HydrophobicContact CB-CD2 3.96Å; R49-F120 HydrophobicContact CB-CE1 4Å; R49-F120 HydrophobicContact CB-CE2 4.02Å; R49-F120 HydrophobicContact CB-CG 3.98Å; R49-F120 HydrophobicContact CB-CZ 4.04Å; R49-F120 HydrophobicContact CG-CD1 4.18Å; R49-F120 HydrophobicContact CG-CG 4.24Å; I50-F120 WeakPolarHBondContact O-CZ 3.4Å; E73-F120 HydrophobicContact CB-CD1 3.87Å; E73-F120 HydrophobicContact CB-CE1 3.9Å; Q75-F120 HydrophobicContact CB-CE1 4.21Å; Q75-F120 HydrophobicContact CB-CE2 4.32Å; Q75-F120 HydrophobicContact CB-CZ 3.8Å; Q75-F120 HydrophobicContact CG-CD1 3.94Å; Q75-F120 HydrophobicContact CG-CD2 4.46Å; Q75-F120 HydrophobicContact CG-CE1 3.51Å; Q75-F120 HydrophobicContact CG-CE2 4.05Å; Q75-F120 HydrophobicContact CG-CG 4.39Å; Q75-F120 HydrophobicContact CG-CZ 3.54Å; T117-F120 WeakPolarHBondContact O-CE2 3.41Å; F120-D122 VanDerWaalsContact C-N 3.33Å; F120-D122 PolarHBondContact O-N 3.02Å; F120-G123 CarbonylContact C-O 3.6Å; F120-G123 WeakPolarHBondContact CA-O 3.12Å; F120-G123 VanDerWaalsContact CB-O 3.31Å; F120-G123 WeakPolarHBondContact CB-O 3.42Å; F120-G123 PolarHBondContact N-O 3.15Å; F120-G123 PolarHBondContact O-N 2.9Å; F120-L125 HydrophobicContact CD2-CB 4.49Å; F120-L125 HydrophobicContact CE2-CB 3.98Å
121K96.4Very high98.4Very high181 Ų18134.2 Ų34.279%0.78717%0.166SC*.THydrogen-bonded Turntrans-57.3-45.2177.3-176.7-176.5171.6-171.30112.6
122D95.9Very high98.2Very high112 Ų11230.9 Ų30.960%0.59915%0.148SC*.THydrogen-bonded Turntrans-955.9-173-66.9-10.7000113.4F120F120-D122 VanDerWaalsContact C-N 3.33Å; F120-D122 PolarHBondContact O-N 3.02Å
123G97.7Very high98.2Very high20 Ų2027.2 Ų27.221%0.20614%0.135CC..EExtended strand (participates in β ladder)trans147.1-173.2176.700000114.2F120F120-G123 CarbonylContact C-O 3.6Å; F120-G123 WeakPolarHBondContact CA-O 3.12Å; F120-G123 VanDerWaalsContact CB-O 3.31Å; F120-G123 WeakPolarHBondContact CB-O 3.42Å; F120-G123 PolarHBondContact N-O 3.15Å; F120-G123 PolarHBondContact O-N 2.9Å
124P98.7Very high98.1Very high46 Ų4629.2 Ų29.230%0.29915%0.146SC..EExtended strand (participates in β ladder)trans-68.2164.217331.5-35.5000111.1R49 L118 Y119 L146R49-P124 VanDerWaalsContact CZ-O 3.27Å; R49-P124 PolarHBondContact NE-O 3.15Å; R49-P124 PolarHBondContact NH2-O 3.3Å; L118-P124 CarbonylContact O-C 3.58Å; L118-P124 WeakPolarHBondContact O-CA 2.82Å; Y119-P124 HydrophobicContact CD1-CB 4.29Å; Y119-P124 HydrophobicContact CE1-CB 4.38Å; P124-L146 HydrophobicContact CB-CD2 3.8Å; P124-L146 HydrophobicContact CG-CD2 4.31Å
125L98.9Very high98.1Very high1 Ų129.1 Ų29.11%0.00515%0.145CC..  trans-49.3148.716880165.9000111.2R49 A51 L118 F120 I128 I139 L146 I150R49-L125 WeakPolarHBondContact O-CA 3.46Å; A51-L125 HydrophobicContact CB-CB 4Å; A51-L125 HydrophobicContact CB-CD1 3.47Å; A51-L125 VanDerWaalsContact CB-CD1 3.47Å; A51-L125 HydrophobicContact CB-CG 4.38Å; L118-L125 HydrophobicContact CB-CD2 4.29Å; L118-L125 HydrophobicContact CD2-CD1 4.24Å; L118-L125 HydrophobicContact CD2-CD2 4.23Å; L118-L125 WeakPolarHBondContact O-CD2 3.49Å; L118-L125 PolarHBondContact O-N 2.61Å; F120-L125 HydrophobicContact CD2-CB 4.49Å; F120-L125 HydrophobicContact CE2-CB 3.98Å; L125-I128 HydrophobicContact CD1-CG1 3.84Å; L125-I139 HydrophobicContact CD1-CD1 3.57Å; L125-I139 HydrophobicContact CD2-CD1 4.45Å; L125-L146 HydrophobicContact CD2-CD1 3.83Å; L125-I150 HydrophobicContact CD1-CD1 4.27Å; L125-I150 HydrophobicContact CD2-CD1 4.25Å; L125-I150 HydrophobicContact CG-CD1 4.14Å; L125-I150 HydrophobicContact CG-CG1 4.25Å
126N98.9Very high98.2Very high11 Ų1127.1 Ų27.16%0.05914%0.136CC..  trans-130.13.41756419.9000113G47 R49 G149 I150 R151 W373G47-N126 PolarHBondContact O-ND2 3.29Å; R49-N126 VanDerWaalsContact CZ-ND2 3.34Å; R49-N126 PolarHBondContact N-OD1 3.11Å; R49-N126 PolarHBondContact NH1-ND2 2.79Å; R49-N126 PolarHBondContact NH2-ND2 3.09Å; R49-N126 PolarHBondContact O-N 3.19Å; R49-N126 PolarHBondContact O-OD1 2.91Å; N126-G149 WeakPolarHBondContact CA-O 3.37Å; N126-G149 VanDerWaalsContact CB-O 3.25Å; N126-G149 WeakPolarHBondContact CB-O 3.45Å; N126-I150 WeakPolarHBondContact O-CA 3.35Å; N126-R151 PolarHBondContact O-N 3.2Å; N126-W373 HydrophobicContact CB-CZ3 4.35Å; N126-W373 WeakPolarHBondContact ND2-CH2 3.25Å
127M98.9Very high98.2Very high0 Ų028 Ų280%014%0.141CC..EExtended strand (participates in β ladder)trans-145.8144.8175.5-73.7-60.7-64.600108.7A48 R49 I50 A51 R151 L372 W373A48-M127 HydrophobicContact CB-CG 4.33Å; R49-M127 PolarHBondContact O-N 3.07Å; I50-M127 HydrophobicContact CB-CB 4.37Å; I50-M127 HydrophobicContact CG1-CB 3.84Å; I50-M127 HydrophobicContact CG1-CG 4.45Å; A51-M127 PolarHBondContact N-O 3.09Å; A51-M127 VanDerWaalsContact N-O 3.13Å; M127-R151 HydrophobicContact SD-CB 3.83Å; M127-R151 HydrophobicContact SD-CG 4.49Å; M127-L372 HydrophobicContact CE-CB 3.69Å; M127-L372 HydrophobicContact CE-CD1 4.25Å; M127-W373 HydrophobicContact CG-CE3 3.72Å; M127-W373 HydrophobicContact CG-CZ3 4.23Å; M127-W373 HydrophobicContact SD-CE3 3.9Å
128I98.9Very high98.1Very high0 Ų028.8 Ų28.80%015%0.145CC..EExtended strand (participates in β ladder)trans-116.5134.9174.4-68.2166.6000108.3L125 D130 L135 I139 I150 G152 I153 S154 Q369L125-I128 HydrophobicContact CD1-CG1 3.84Å; I128-D130 HydrophobicContact CG2-CB 3.86Å; I128-L135 HydrophobicContact CG2-CD2 3.95Å; I128-L135 HydrophobicContact CG2-CG 4.2Å; I128-I139 HydrophobicContact CD1-CD1 3.47Å; I128-I139 VanDerWaalsContact CD1-CD1 3.47Å; I128-I139 HydrophobicContact CG1-CD1 3.9Å; I128-I150 HydrophobicContact CD1-CD1 3.99Å; I128-I150 HydrophobicContact CD1-CG2 4.05Å; I128-I150 HydrophobicContact CG1-CD1 4.45Å; I128-I150 HydrophobicContact CG1-CG2 4.1Å; I128-G152 PolarHBondContact N-O 3.07Å; I128-I153 HydrophobicContact CB-CB 4.36Å; I128-I153 HydrophobicContact CB-CG1 3.84Å; I128-I153 HydrophobicContact CB-CG2 4.47Å; I128-I153 HydrophobicContact CD1-CD1 4.27Å; I128-I153 HydrophobicContact CD1-CG1 3.73Å; I128-I153 HydrophobicContact CG1-CG1 4.35Å; I128-I153 HydrophobicContact CG2-CB 4.46Å; I128-I153 HydrophobicContact CG2-CG1 4.13Å; I128-I153 HydrophobicContact CG2-CG2 4.04Å; I128-I153 WeakPolarHBondContact O-CA 3.43Å; I128-S154 PolarHBondContact O-N 2.87Å; I128-S154 VanDerWaalsContact O-N 3.09Å; I128-Q369 PolarHBondContact O-NE2 3.03Å
129L98.9Very high98.1Very high0 Ų028.8 Ų28.80%015%0.145CC..EExtended strand (participates in β ladder)trans-122.5116.8163.6-173.8158000107I50 A51 G52 C53 L54 L63 L67 W76 Q365 Q369I50-L129 HydrophobicContact CG2-CB 3.98Å; A51-L129 PolarHBondContact O-N 3.38Å; G52-L129 VanDerWaalsContact CA-O 3.32Å; G52-L129 WeakPolarHBondContact CA-O 3.1Å; C53-L129 PolarHBondContact N-O 3.17Å; L54-L129 HydrophobicContact CB-CD2 4.29Å; L54-L129 HydrophobicContact CD1-CD2 3.74Å; L63-L129 HydrophobicContact CD2-CD1 4.25Å; L67-L129 HydrophobicContact CD1-CD1 4.07Å; W76-L129 HydrophobicContact CH2-CD1 3.97Å; W76-L129 HydrophobicContact CH2-CD2 3.83Å; W76-L129 HydrophobicContact CH2-CG 4.37Å; W76-L129 HydrophobicContact CZ2-CD2 3.95Å; L129-Q365 HydrophobicContact CD1-CB 4.17Å; L129-Q365 HydrophobicContact CD1-CG 4.45Å; L129-Q369 HydrophobicContact CD1-CG 4.16Å
130D98.7Very high98.2Very high0 Ų024.8 Ų24.80%013%0.131CC..EExtended strand (participates in β ladder)trans-130.1151.1-166-146.8-3.6000111.4I128 G133 L135 T136 S154 E155 E156I128-D130 HydrophobicContact CG2-CB 3.86Å; D130-G133 VanDerWaalsContact OD2-CA 3.26Å; D130-G133 WeakPolarHBondContact OD2-CA 3.49Å; D130-L135 PolarHBondContact OD2-N 3.2Å; D130-T136 WeakPolarHBondContact OD2-CB 3.49Å; D130-T136 PolarHBondContact OD2-N 3.32Å; D130-T136 PolarHBondContact OD2-OG1 3.35Å; D130-S154 PolarHBondContact N-O 3.48Å; D130-E155 WeakPolarHBondContact O-CA 3.29Å; D130-E156 WeakPolarHBondContact O-CB 3.5Å; D130-E156 PolarHBondContact O-N 2.84Å
131D98.2Very high98.1Very high8 Ų829.3 Ų29.34%0.04316%0.159CC..SBendtrans-137.7103.6172.1-177.6-16.6000108C53 L54 H55 C79 E155 E156 T157 H301C53-D131 PolarHBondContact O-N 2.93Å; L54-D131 HydrophobicContact CB-CB 4.15Å; L54-D131 HydrophobicContact CD1-CB 3.96Å; L54-D131 HydrophobicContact CG-CB 3.72Å; H55-D131 IonicContact CD2-OD2 2.72Å; H55-D131 IonicContact NE2-OD2 2.61Å; C79-D131 VanDerWaalsContact CB-O 3.27Å; C79-D131 WeakPolarHBondContact CB-O 3.21Å; D131-E155 WeakPolarHBondContact CA-OE1 3.32Å; D131-E156 HydrophobicContact CB-CB 3.84Å; D131-E156 HydrophobicContact CB-CG 4.46Å; D131-T157 WeakPolarHBondContact OD1-CB 3.28Å; D131-T157 WeakPolarHBondContact OD1-CG2 3.44Å; D131-T157 PolarHBondContact OD1-OG1 2.83Å; D131-H301 PolarHBondContact O-CE1 2.98Å; D131-H301 IonicContact OD1-CE1 3.4Å; D131-H301 PolarHBondContact OD1-CE1 3.36Å; D131-H301 IonicContact OD1-ND1 4Å; D131-H301 PolarHBondContact OD1-ND1 3.42Å
132G94.2Very high98.2Very high2 Ų225.8 Ų25.82%0.02114%0.144CC..SBendtrans106.8-19.8-179.200000114.7E155 T157 H301G132-E155 PolarHBondContact N-OE1 2.89Å; G132-T157 PolarHBondContact N-OG1 3.27Å; G132-H301 WeakPolarHBondContact CA-CE1 3.36Å; G132-H301 WeakPolarHBondContact CA-NE2 3.37Å
133G97.6Very high98.4Very high1 Ų122.3 Ų22.31%0.0112%0.123CC..SBendtrans88.87.9176.100000115.3D130 T136 N137 E155D130-G133 VanDerWaalsContact OD2-CA 3.26Å; D130-G133 WeakPolarHBondContact OD2-CA 3.49Å; G133-T136 PolarHBondContact O-N 3.45Å; G133-N137 VanDerWaalsContact O-CB 3.27Å; G133-N137 WeakPolarHBondContact O-CB 3.32Å; G133-N137 PolarHBondContact O-N 3.18Å; G133-N137 PolarHBondContact O-ND2 2.83Å; G133-N137 VanDerWaalsContact O-ND2 3.07Å; G133-E155 WeakPolarHBondContact CA-OE2 3.47Å; G133-E155 PolarHBondContact N-OE2 3.06Å; G133-E155 VanDerWaalsContact N-OE2 3.14Å
134D98.4Very high98.4Very high42 Ų4224.6 Ų24.623%0.22513%0.134CC..Hα-helixtrans-66.5-43.9-177.3-85.1-9.1000112.3Y110 I114 T136 N137 L138Y110-D134 WeakPolarHBondContact CE1-OD2 3.38Å; Y110-D134 PolarHBondContact OH-OD2 2.72Å; I114-D134 HydrophobicContact CD1-CB 4.28Å; D134-T136 VanDerWaalsContact C-N 3.35Å; D134-N137 PolarHBondContact O-N 3.12Å; D134-L138 VanDerWaalsContact O-CB 3.3Å; D134-L138 WeakPolarHBondContact O-CB 3.2Å; D134-L138 PolarHBondContact O-N 2.77Å
135L98.8Very high98.4Very high0 Ų027.9 Ų27.90%015%0.145CC..Hα-helixtrans-64.9-42.5175.7172.259.9000110.8A51 C53 I114 L118 I128 D130 N137 L138 I139A51-L135 HydrophobicContact CB-CD2 3.91Å; A51-L135 WeakPolarHBondContact O-CD2 3.4Å; C53-L135 HydrophobicContact CB-CB 3.59Å; C53-L135 HydrophobicContact CB-CD2 3.93Å; C53-L135 HydrophobicContact CB-CG 4.38Å; I114-L135 HydrophobicContact CG2-CB 4.19Å; I114-L135 HydrophobicContact CG2-CD1 3.66Å; L118-L135 HydrophobicContact CD2-CD1 3.59Å; I128-L135 HydrophobicContact CG2-CD2 3.95Å; I128-L135 HydrophobicContact CG2-CG 4.2Å; D130-L135 PolarHBondContact OD2-N 3.2Å; L135-N137 PolarHBondContact O-N 2.88Å; L135-L138 PolarHBondContact O-N 2.91Å; L135-I139 HydrophobicContact CD1-CD1 3.69Å; L135-I139 HydrophobicContact CD1-CG1 4.24Å; L135-I139 HydrophobicContact CG-CD1 4.07Å; L135-I139 WeakPolarHBondContact O-CG1 3.45Å; L135-I139 PolarHBondContact O-N 3.39Å
136T98.8Very high98.4Very high0 Ų028.6 Ų28.60%015%0.149CC..Hα-helixtrans-58.3-48.8175.1-650000111.2D130 G133 D134 I139 H140 I153 L164 M167D130-T136 WeakPolarHBondContact OD2-CB 3.49Å; D130-T136 PolarHBondContact OD2-N 3.32Å; D130-T136 PolarHBondContact OD2-OG1 3.35Å; G133-T136 PolarHBondContact O-N 3.45Å; D134-T136 VanDerWaalsContact C-N 3.35Å; T136-I139 PolarHBondContact O-N 3.19Å; T136-H140 PolarHBondContact O-N 2.73Å; T136-H140 PolarHBondContact O-ND1 2.99Å; T136-I153 HydrophobicContact CG2-CD1 3.87Å; T136-L164 HydrophobicContact CG2-CD2 4.01Å; T136-M167 HydrophobicContact CG2-CE 4.14Å; T136-M167 HydrophobicContact CG2-SD 4.28Å
137N98.7Very high98.4Very high48 Ų4829 Ų2926%0.25715%0.151SC..Hα-helixtrans-64.7-45.1179.6-75.2-31.3000111.5G133 D134 L135 I139 H140 T141 N163G133-N137 VanDerWaalsContact O-CB 3.27Å; G133-N137 WeakPolarHBondContact O-CB 3.32Å; G133-N137 PolarHBondContact O-N 3.18Å; G133-N137 PolarHBondContact O-ND2 2.83Å; G133-N137 VanDerWaalsContact O-ND2 3.07Å; D134-N137 PolarHBondContact O-N 3.12Å; L135-N137 PolarHBondContact O-N 2.88Å; N137-I139 VanDerWaalsContact C-N 3.27Å; N137-I139 PolarHBondContact O-N 2.81Å; N137-H140 PolarHBondContact O-N 3.26Å; N137-T141 WeakPolarHBondContact O-CB 3.33Å; N137-T141 WeakPolarHBondContact O-CG2 3.39Å; N137-T141 PolarHBondContact O-N 3.11Å; N137-T141 PolarHBondContact O-OG1 2.84Å; N137-N163 PolarHBondContact ND2-ND2 2.99Å; N137-N163 VanDerWaalsContact ND2-ND2 3.18Å; N137-N163 PolarHBondContact OD1-ND2 3.28Å
138L98.7Very high98.4Very high17 Ų1734.8 Ų34.89%0.08919%0.192CC..Hα-helixtrans-55.4-44.8177.2-178.865.2000111L111 I114 E115 L118 D134 L135 K142 Y143L111-L138 HydrophobicContact CD1-CD1 3.85Å; L111-L138 HydrophobicContact CD1-CD2 4.31Å; I114-L138 HydrophobicContact CB-CD2 4.14Å; I114-L138 HydrophobicContact CG2-CD2 3.53Å; E115-L138 HydrophobicContact CG-CD2 4.1Å; L118-L138 HydrophobicContact CD1-CD2 4.49Å; D134-L138 VanDerWaalsContact O-CB 3.3Å; D134-L138 WeakPolarHBondContact O-CB 3.2Å; D134-L138 PolarHBondContact O-N 2.77Å; L135-L138 PolarHBondContact O-N 2.91Å; L138-K142 HydrophobicContact CD1-CB 3.99Å; L138-K142 HydrophobicContact CD1-CD 3.84Å; L138-K142 WeakPolarHBondContact O-CA 3.34Å; L138-K142 VanDerWaalsContact O-CB 3.32Å; L138-K142 WeakPolarHBondContact O-CB 3.33Å; L138-K142 PolarHBondContact O-N 3.42Å; L138-Y143 HydrophobicContact CD1-CD2 4.47Å; L138-Y143 HydrophobicContact CD1-CE2 4.13Å; L138-Y143 HydrophobicContact CD2-CE2 4.38Å; L138-Y143 HydrophobicContact CG-CD2 4.13Å; L138-Y143 HydrophobicContact CG-CE2 4.07Å; L138-Y143 PolarHBondContact O-N 3.16Å
139I98.8Very high98.3Very high0 Ų036.8 Ų36.80%021%0.212CC..Hα-helixtrans-69.3-45.6179.7-66.2165.5000111.2L118 L125 I128 L135 T136 N137 T141 Y143 P144 L146 L147 I150L118-I139 HydrophobicContact CD2-CD1 4.1Å; L118-I139 HydrophobicContact CD2-CG1 4.14Å; L125-I139 HydrophobicContact CD1-CD1 3.57Å; L125-I139 HydrophobicContact CD2-CD1 4.45Å; I128-I139 HydrophobicContact CD1-CD1 3.47Å; I128-I139 VanDerWaalsContact CD1-CD1 3.47Å; I128-I139 HydrophobicContact CG1-CD1 3.9Å; L135-I139 HydrophobicContact CD1-CD1 3.69Å; L135-I139 HydrophobicContact CD1-CG1 4.24Å; L135-I139 HydrophobicContact CG-CD1 4.07Å; L135-I139 WeakPolarHBondContact O-CG1 3.45Å; L135-I139 PolarHBondContact O-N 3.39Å; T136-I139 PolarHBondContact O-N 3.19Å; N137-I139 VanDerWaalsContact C-N 3.27Å; N137-I139 PolarHBondContact O-N 2.81Å; I139-T141 VanDerWaalsContact C-N 3.26Å; I139-T141 PolarHBondContact O-N 3.41Å; I139-Y143 CarbonylContact O-C 3.41Å; I139-Y143 WeakPolarHBondContact O-CA 3.47Å; I139-Y143 PolarHBondContact O-N 3.38Å; I139-P144 VanDerWaalsContact O-N 3.13Å; I139-L146 HydrophobicContact CG2-CB 4.44Å; I139-L147 HydrophobicContact CG2-CD2 3.71Å; I139-L147 HydrophobicContact CG2-CG 4.19Å; I139-I150 HydrophobicContact CD1-CD1 4.11Å; I139-I150 HydrophobicContact CG2-CD1 3.77Å
140H98.7Very high98.3Very high20 Ų2037.3 Ų37.39%0.09322%0.215CC..Hα-helixtrans-65.1-29.7-179.4-77.978.3000113.2T136 N137 M167 K174T136-H140 PolarHBondContact O-N 2.73Å; T136-H140 PolarHBondContact O-ND1 2.99Å; N137-H140 PolarHBondContact O-N 3.26Å; H140-M167 HydrophobicContact CB-CE 3.94Å; H140-M167 VanDerWaalsContact CD2-CE 3.45Å; H140-M167 WeakPolarHBondContact CD2-CE 3.33Å; H140-M167 VanDerWaalsContact CG-CE 3.4Å; H140-K174 PolarHBondContact NE2-N 3Å
141T98.3Very high98.3Very high107 Ų10742 Ų4266%0.65623%0.233SC*.Hα-helixtrans-98.5-46.7-174.857.80000113.3N137 I139N137-T141 WeakPolarHBondContact O-CB 3.33Å; N137-T141 WeakPolarHBondContact O-CG2 3.39Å; N137-T141 PolarHBondContact O-N 3.11Å; N137-T141 PolarHBondContact O-OG1 2.84Å; I139-T141 VanDerWaalsContact C-N 3.26Å; I139-T141 PolarHBondContact O-N 3.41Å
142K98.6Very high98.4Very high107 Ų10741.7 Ų41.747%0.46523%0.231SC..Hα-helixtrans-102.1-27.9-172.2-168.4175.1179.8179.80113.5E115 L138E115-K142 IonicContact OE1-NZ 3.81Å; E115-K142 PolarHBondContact OE1-NZ 3.29Å; L138-K142 HydrophobicContact CD1-CB 3.99Å; L138-K142 HydrophobicContact CD1-CD 3.84Å; L138-K142 WeakPolarHBondContact O-CA 3.34Å; L138-K142 VanDerWaalsContact O-CB 3.32Å; L138-K142 WeakPolarHBondContact O-CB 3.33Å; L138-K142 PolarHBondContact O-N 3.42Å
143Y98.6Very high98.6Very high38 Ų3841.6 Ų41.615%0.14923%0.23CC..  trans-124.748-179.5-57.3-87.9000113.9E115 L118 L138 I139 Q145 L146E115-Y143 HydrophobicContact CG-CE2 4.49Å; E115-Y143 PolarHBondContact OE1-OH 3.3Å; L118-Y143 HydrophobicContact CD1-CD1 4.4Å; L118-Y143 HydrophobicContact CD1-CD2 3.7Å; L118-Y143 HydrophobicContact CD1-CE1 4.37Å; L118-Y143 HydrophobicContact CD1-CE2 3.65Å; L118-Y143 HydrophobicContact CD1-CG 4.09Å; L138-Y143 HydrophobicContact CD1-CD2 4.47Å; L138-Y143 HydrophobicContact CD1-CE2 4.13Å; L138-Y143 HydrophobicContact CD2-CE2 4.38Å; L138-Y143 HydrophobicContact CG-CD2 4.13Å; L138-Y143 HydrophobicContact CG-CE2 4.07Å; L138-Y143 PolarHBondContact O-N 3.16Å; I139-Y143 CarbonylContact O-C 3.41Å; I139-Y143 WeakPolarHBondContact O-CA 3.47Å; I139-Y143 PolarHBondContact O-N 3.38Å; Y143-Q145 VanDerWaalsContact C-OE1 3.23Å; Y143-Q145 PolarHBondContact O-N 3.48Å; Y143-L146 HydrophobicContact CD1-CD1 4.43Å; Y143-L146 HydrophobicContact CG-CD1 4.31Å; Y143-L146 WeakPolarHBondContact O-CB 3.48Å; Y143-L146 PolarHBondContact O-N 3.49Å
144P98.5Very high98.7Very high68 Ų6841.5 Ų41.544%0.44223%0.229SC..G310 helixtrans-60.5-24.5-175.126.5-36.1000113.2I139 L146 L147I139-P144 VanDerWaalsContact O-N 3.13Å; P144-L146 PolarHBondContact O-N 2.93Å; P144-L147 HydrophobicContact CB-CD1 4.02Å; P144-L147 WeakPolarHBondContact O-CB 3.48Å; P144-L147 WeakPolarHBondContact O-CD1 3.44Å; P144-L147 WeakPolarHBondContact O-CG 3.04Å; P144-L147 PolarHBondContact O-N 2.95Å
145Q98.6Very high98.7Very high115 Ų11539.5 Ų39.554%0.53722%0.218SC..G310 helixtrans-62.3-19174.470.7-79.65.600114.1Y143Y143-Q145 VanDerWaalsContact C-OE1 3.23Å; Y143-Q145 PolarHBondContact O-N 3.48Å
146L98.8Very high98.6Very high16 Ų1639.7 Ų39.78%0.08422%0.219CC..G310 helixtrans-85.2-20.3178.3-58.3-176000112.5Y119 P124 L125 I139 Y143 P144 S148 G149 I150Y119-L146 HydrophobicContact CE1-CD2 4.4Å; P124-L146 HydrophobicContact CB-CD2 3.8Å; P124-L146 HydrophobicContact CG-CD2 4.31Å; L125-L146 HydrophobicContact CD2-CD1 3.83Å; I139-L146 HydrophobicContact CG2-CB 4.44Å; Y143-L146 HydrophobicContact CD1-CD1 4.43Å; Y143-L146 HydrophobicContact CG-CD1 4.31Å; Y143-L146 WeakPolarHBondContact O-CB 3.48Å; Y143-L146 PolarHBondContact O-N 3.49Å; P144-L146 PolarHBondContact O-N 2.93Å; L146-S148 VanDerWaalsContact C-N 3.31Å; L146-S148 PolarHBondContact O-N 3.19Å; L146-G149 PolarHBondContact O-N 3.02Å; L146-I150 HydrophobicContact CB-CD1 4.42Å; L146-I150 WeakPolarHBondContact O-CG1 3.16Å
147L98.8Very high98.2Very high20 Ų2040.7 Ų40.711%0.10523%0.225CC..G310 helixtrans-55.2-42.3-171-69.2166.6000113.1I139 P144 G149 I150 K174 V175I139-L147 HydrophobicContact CG2-CD2 3.71Å; I139-L147 HydrophobicContact CG2-CG 4.19Å; P144-L147 HydrophobicContact CB-CD1 4.02Å; P144-L147 WeakPolarHBondContact O-CB 3.48Å; P144-L147 WeakPolarHBondContact O-CD1 3.44Å; P144-L147 WeakPolarHBondContact O-CG 3.04Å; P144-L147 PolarHBondContact O-N 2.95Å; L147-G149 PolarHBondContact O-N 3.19Å; L147-I150 PolarHBondContact O-N 2.91Å; L147-I150 VanDerWaalsContact O-N 3.12Å; L147-K174 HydrophobicContact CB-CB 4.43Å; L147-K174 HydrophobicContact CD1-CB 4.09Å; L147-K174 HydrophobicContact CD1-CG 4Å; L147-K174 HydrophobicContact CD2-CB 4.46Å; L147-V175 HydrophobicContact CD2-CG2 3.91Å
148S98.3Very high97.8Very high122 Ų12242.1 Ų42.185%0.85324%0.236SC*.G310 helixtrans-67.3-17.9-179.558.40000113.9L146L146-S148 VanDerWaalsContact C-N 3.31Å; L146-S148 PolarHBondContact O-N 3.19Å
149G98.6Very high97.5Very high41 Ų4143 Ų4342%0.42324%0.242SC..G310 helixtrans-89.7-7.5176.500000113.9N126 L146 L147N126-G149 WeakPolarHBondContact CA-O 3.37Å; N126-G149 VanDerWaalsContact CB-O 3.25Å; N126-G149 WeakPolarHBondContact CB-O 3.45Å; L146-G149 PolarHBondContact O-N 3.02Å; L147-G149 PolarHBondContact O-N 3.19Å
150I98.9Very high97.4Very high11 Ų1143 Ų436%0.05624%0.242CC..  trans-100.5123.2-174.9-58.1168.5000109.1L125 N126 I128 I139 L146 L147 V175L125-I150 HydrophobicContact CD1-CD1 4.27Å; L125-I150 HydrophobicContact CD2-CD1 4.25Å; L125-I150 HydrophobicContact CG-CD1 4.14Å; L125-I150 HydrophobicContact CG-CG1 4.25Å; N126-I150 WeakPolarHBondContact O-CA 3.35Å; I128-I150 HydrophobicContact CD1-CD1 3.99Å; I128-I150 HydrophobicContact CD1-CG2 4.05Å; I128-I150 HydrophobicContact CG1-CD1 4.45Å; I128-I150 HydrophobicContact CG1-CG2 4.1Å; I139-I150 HydrophobicContact CD1-CD1 4.11Å; I139-I150 HydrophobicContact CG2-CD1 3.77Å; L146-I150 HydrophobicContact CB-CD1 4.42Å; L146-I150 WeakPolarHBondContact O-CG1 3.16Å; L147-I150 PolarHBondContact O-N 2.91Å; L147-I150 VanDerWaalsContact O-N 3.12Å; I150-V175 HydrophobicContact CB-CG1 4.41Å; I150-V175 HydrophobicContact CB-CG2 4.25Å; I150-V175 HydrophobicContact CG2-CG1 3.87Å; I150-V175 HydrophobicContact CG2-CG2 4.41Å
151R98.8Very high97.3Very high100 Ų10042.3 Ų42.338%0.37724%0.239SC..  trans-84-30.6-174.9-174.3175.7-69.1168.97.9112.8N126 M127 L372 W373 P376N126-R151 PolarHBondContact O-N 3.2Å; M127-R151 HydrophobicContact SD-CB 3.83Å; M127-R151 HydrophobicContact SD-CG 4.49Å; R151-L372 VanDerWaalsContact CD-O 3.23Å; R151-L372 WeakPolarHBondContact CD-O 3.35Å; R151-L372 WeakPolarHBondContact CG-O 3.19Å; R151-W373 HydrophobicContact CB-CE3 4.42Å; R151-W373 WeakPolarHBondContact CD-O 3.3Å; R151-W373 PolarHBondContact NH1-O 3.39Å; R151-P376 HydrophobicContact CG-CB 3.88Å
152G98.8Very high97.2Very high0 Ų043.6 Ų43.60%024%0.238CC..  trans-169.2160.7-178.700000114.8I128 P176I128-G152 PolarHBondContact N-O 3.07Å; G152-P176 CarbonylContact C-O 3.48Å; G152-P176 VanDerWaalsContact CA-O 3.31Å; G152-P176 WeakPolarHBondContact CA-O 3.42Å
153I98.9Very high97.1Very high0 Ų040.2 Ų40.20%022%0.224CC..EExtended strand (participates in β ladder)trans-118.4136.2172.2-63.5157000108.3I128 T136 L173 V175 P176 A177 I178 L372I128-I153 HydrophobicContact CB-CB 4.36Å; I128-I153 HydrophobicContact CB-CG1 3.84Å; I128-I153 HydrophobicContact CB-CG2 4.47Å; I128-I153 HydrophobicContact CD1-CD1 4.27Å; I128-I153 HydrophobicContact CD1-CG1 3.73Å; I128-I153 HydrophobicContact CG1-CG1 4.35Å; I128-I153 HydrophobicContact CG2-CB 4.46Å; I128-I153 HydrophobicContact CG2-CG1 4.13Å; I128-I153 HydrophobicContact CG2-CG2 4.04Å; I128-I153 WeakPolarHBondContact O-CA 3.43Å; T136-I153 HydrophobicContact CG2-CD1 3.87Å; I153-L173 HydrophobicContact CD1-CD1 4.32Å; I153-V175 HydrophobicContact CD1-CB 3.8Å; I153-V175 HydrophobicContact CD1-CG1 4.01Å; I153-V175 HydrophobicContact CG1-CB 4.32Å; I153-V175 HydrophobicContact CG1-CG1 3.96Å; I153-P176 PolarHBondContact N-O 3.02Å; I153-A177 HydrophobicContact CB-CB 4.04Å; I153-A177 HydrophobicContact CG2-CB 4.4Å; I153-A177 CarbonylContact O-C 2.94Å; I153-A177 VanDerWaalsContact O-CA 3.22Å; I153-A177 WeakPolarHBondContact O-CA 3.48Å; I153-I178 PolarHBondContact O-N 2.79Å; I153-L372 VanDerWaalsContact O-CD1 3.23Å; I153-L372 WeakPolarHBondContact O-CD1 3.35Å
154S98.9Very high97.1Very high0 Ų038.4 Ų38.40%022%0.217CC..EExtended strand (participates in β ladder)trans-117.6127.8160.959.50000109.8I128 D130 I178 Q365 Q369I128-S154 PolarHBondContact O-N 2.87Å; I128-S154 VanDerWaalsContact O-N 3.09Å; D130-S154 PolarHBondContact N-O 3.48Å; S154-I178 WeakPolarHBondContact CA-O 3.35Å; S154-Q365 PolarHBondContact OG-OE1 2.93Å; S154-Q369 PolarHBondContact OG-NE2 3.2Å
155E98.8Very high97.1Very high0 Ų039.4 Ų39.40%021%0.213CC..EExtended strand (participates in β ladder)trans-118.1126.3-171.417257.8-118.400111.4D130 D131 G132 G133 T157 V161 L164 I178 V180 N181D130-E155 WeakPolarHBondContact O-CA 3.29Å; D131-E155 WeakPolarHBondContact CA-OE1 3.32Å; G132-E155 PolarHBondContact N-OE1 2.89Å; G133-E155 WeakPolarHBondContact CA-OE2 3.47Å; G133-E155 PolarHBondContact N-OE2 3.06Å; G133-E155 VanDerWaalsContact N-OE2 3.14Å; E155-T157 PolarHBondContact OE1-N 2.8Å; E155-T157 PolarHBondContact OE1-OG1 3.1Å; E155-V161 HydrophobicContact CB-CG2 4.32Å; E155-V161 HydrophobicContact CG-CG2 3.76Å; E155-L164 HydrophobicContact CB-CD1 3.54Å; E155-L164 HydrophobicContact CG-CD1 3.89Å; E155-I178 PolarHBondContact N-O 3.18Å; E155-V180 WeakPolarHBondContact O-CB 3.42Å; E155-V180 PolarHBondContact O-N 3.34Å; E155-N181 PolarHBondContact O-N 3.28Å
156E96Very high97.1Very high3 Ų339.9 Ų39.91%0.01421%0.213CC..  trans-81.4-39.4-168.9-171.761.8-138.600113.9L54 D130 D131 N181 K186 S361 Q365L54-E156 HydrophobicContact CD1-CB 4.3Å; L54-E156 HydrophobicContact CD1-CG 4.22Å; D130-E156 WeakPolarHBondContact O-CB 3.5Å; D130-E156 PolarHBondContact O-N 2.84Å; D131-E156 HydrophobicContact CB-CB 3.84Å; D131-E156 HydrophobicContact CB-CG 4.46Å; E156-N181 VanDerWaalsContact O-CA 3.32Å; E156-N181 WeakPolarHBondContact O-CA 3.39Å; E156-N181 VanDerWaalsContact O-CB 3.23Å; E156-N181 WeakPolarHBondContact O-CB 3.42Å; E156-N181 PolarHBondContact O-OD1 3.34Å; E156-K186 WeakPolarHBondContact O-CE 3.33Å; E156-K186 PolarHBondContact O-NZ 3.44Å; E156-K186 WeakPolarHBondContact OE1-CE 3.39Å; E156-K186 IonicContact OE1-NZ 2.87Å; E156-S361 VanDerWaalsContact OE1-CB 3.32Å; E156-S361 WeakPolarHBondContact OE1-CB 3.41Å; E156-Q365 VanDerWaalsContact OE2-CD 3.29Å; E156-Q365 WeakPolarHBondContact OE2-CG 3.45Å; E156-Q365 PolarHBondContact OE2-NE2 3.26Å
157T92.3Very high97.1Very high22 Ų2239.5 Ų39.514%0.13521%0.211CC..SBendtrans-115.4155-164.453.60000114.8D131 G132 E155 T159 G160 V161D131-T157 WeakPolarHBondContact OD1-CB 3.28Å; D131-T157 WeakPolarHBondContact OD1-CG2 3.44Å; D131-T157 PolarHBondContact OD1-OG1 2.83Å; G132-T157 PolarHBondContact N-OG1 3.27Å; E155-T157 PolarHBondContact OE1-N 2.8Å; E155-T157 PolarHBondContact OE1-OG1 3.1Å; T157-T159 PolarHBondContact O-N 2.87Å; T157-G160 PolarHBondContact O-N 3.18Å; T157-V161 WeakPolarHBondContact O-CG2 3.33Å; T157-V161 PolarHBondContact O-N 2.69Å
158T90Very high97Very high78 Ų7842.5 Ų42.548%0.47923%0.226SC..Hα-helixtrans-51.2-42.1179.2-50.20000112.2H162 N181T158-H162 WeakPolarHBondContact O-CB 3.49Å; T158-H162 PolarHBondContact O-N 3.29Å; T158-N181 VanDerWaalsContact N-CG 3.34Å; T158-N181 PolarHBondContact N-OD1 3.23Å; T158-N181 PolarHBondContact OG1-ND2 3.47Å; T158-N181 VanDerWaalsContact OG1-ND2 3.12Å; T158-N181 PolarHBondContact OG1-OD1 3.32Å
159T91.9Very high97Very high36 Ų3640.8 Ų40.822%0.22122%0.219CC..Hα-helixtrans-67-47.2-179.2-55.80000111.9T157 V161 H162 N163 F302T157-T159 PolarHBondContact O-N 2.87Å; T159-V161 VanDerWaalsContact C-N 3.35Å; T159-V161 PolarHBondContact O-N 2.86Å; T159-H162 PolarHBondContact O-N 2.8Å; T159-N163 PolarHBondContact O-N 2.86Å; T159-F302 HydrophobicContact CG2-CD2 3.75Å; T159-F302 HydrophobicContact CG2-CE2 3.53Å
160G96.2Very high97Very high0 Ų043.6 Ų43.60%022%0.224CC..Hα-helixtrans-63.8-40.5177.300000112.1T157 H162 N163 L164T157-G160 PolarHBondContact O-N 3.18Å; G160-H162 PolarHBondContact O-N 3.29Å; G160-N163 WeakPolarHBondContact O-CB 3.43Å; G160-N163 PolarHBondContact O-N 3.06Å; G160-L164 WeakPolarHBondContact O-CG 3.32Å; G160-L164 PolarHBondContact O-N 3.07Å
161V97Very high96.9Very high5 Ų545.1 Ų45.13%0.0324%0.243CC..Hα-helixtrans-62.6-43.5174.5169.30000111.9E155 T157 T159 N163 L164 Y165 N179 N181E155-V161 HydrophobicContact CB-CG2 4.32Å; E155-V161 HydrophobicContact CG-CG2 3.76Å; T157-V161 WeakPolarHBondContact O-CG2 3.33Å; T157-V161 PolarHBondContact O-N 2.69Å; T159-V161 VanDerWaalsContact C-N 3.35Å; T159-V161 PolarHBondContact O-N 2.86Å; V161-N163 VanDerWaalsContact C-N 3.26Å; V161-N163 PolarHBondContact O-N 2.72Å; V161-L164 WeakPolarHBondContact O-CB 3.38Å; V161-L164 PolarHBondContact O-N 3.16Å; V161-L164 VanDerWaalsContact O-N 3.16Å; V161-Y165 HydrophobicContact CG1-CD2 3.7Å; V161-Y165 HydrophobicContact CG1-CE2 3.4Å; V161-Y165 VanDerWaalsContact O-CD2 3.28Å; V161-Y165 WeakPolarHBondContact O-CD2 3.44Å; V161-Y165 PolarHBondContact O-N 3.06Å; V161-N179 HydrophobicContact CG1-CB 4.33Å; V161-N179 WeakPolarHBondContact CG1-ND2 3.47Å; V161-N179 HydrophobicContact CG2-CB 4.16Å; V161-N179 WeakPolarHBondContact CG2-OD1 3.35Å; V161-N181 HydrophobicContact CG2-CB 3.86Å
162H95.6Very high96.9Very high134 Ų13444.5 Ų44.562%0.6225%0.246SC*.Hα-helixtrans-59-41.5175.1-176.678.3000111.2T158 T159 G160 Y165 K166T158-H162 WeakPolarHBondContact O-CB 3.49Å; T158-H162 PolarHBondContact O-N 3.29Å; T159-H162 PolarHBondContact O-N 2.8Å; G160-H162 PolarHBondContact O-N 3.29Å; H162-Y165 PolarHBondContact O-N 3.35Å; H162-K166 PolarHBondContact O-N 3.16Å
163N97.6Very high96.9Very high35 Ų3544.8 Ų44.819%0.18725%0.248CC..Hα-helixtrans-61.2-45.6173.8-179.148.8000111.8N137 T159 G160 V161 Y165 K166 M167N137-N163 PolarHBondContact ND2-ND2 2.99Å; N137-N163 VanDerWaalsContact ND2-ND2 3.18Å; N137-N163 PolarHBondContact OD1-ND2 3.28Å; T159-N163 PolarHBondContact O-N 2.86Å; G160-N163 WeakPolarHBondContact O-CB 3.43Å; G160-N163 PolarHBondContact O-N 3.06Å; V161-N163 VanDerWaalsContact C-N 3.26Å; V161-N163 PolarHBondContact O-N 2.72Å; N163-Y165 PolarHBondContact O-N 2.93Å; N163-K166 CarbonylContact O-C 3.59Å; N163-K166 WeakPolarHBondContact O-CB 3.48Å; N163-K166 PolarHBondContact O-N 3.31Å; N163-K166 VanDerWaalsContact O-N 3.14Å; N163-M167 VanDerWaalsContact O-CG 3.28Å; N163-M167 WeakPolarHBondContact O-CG 3.24Å; N163-M167 PolarHBondContact O-N 3Å
164L98.6Very high96.9Very high0 Ų050.5 Ų50.50%027%0.272CS..Hα-helixtrans-58.8-44.2176.7-71.9173.4000112.7T136 E155 G160 V161 K166 M167 M168 L173 A177 V383T136-L164 HydrophobicContact CG2-CD2 4.01Å; E155-L164 HydrophobicContact CB-CD1 3.54Å; E155-L164 HydrophobicContact CG-CD1 3.89Å; G160-L164 WeakPolarHBondContact O-CG 3.32Å; G160-L164 PolarHBondContact O-N 3.07Å; V161-L164 WeakPolarHBondContact O-CB 3.38Å; V161-L164 PolarHBondContact O-N 3.16Å; V161-L164 VanDerWaalsContact O-N 3.16Å; L164-K166 VanDerWaalsContact C-N 3.34Å; L164-K166 PolarHBondContact O-N 3.35Å; L164-M167 PolarHBondContact O-N 3.42Å; L164-M168 WeakPolarHBondContact O-CB 3.4Å; L164-M168 PolarHBondContact O-N 2.84Å; L164-L173 HydrophobicContact CD2-CD1 3.81Å; L164-A177 HydrophobicContact CD1-CB 3.8Å; L164-A177 HydrophobicContact CD2-CB 4.2Å; L164-V383 HydrophobicContact CB-CG2 3.8Å
165Y98.2Very high96.9Very high89 Ų8950.6 Ų50.635%0.34927%0.273SS..Hα-helixtrans-62.9-40.2175.4-77.6-61.2000112.1V161 H162 N163 M168 A169 V383 F385V161-Y165 HydrophobicContact CG1-CD2 3.7Å; V161-Y165 HydrophobicContact CG1-CE2 3.4Å; V161-Y165 VanDerWaalsContact O-CD2 3.28Å; V161-Y165 WeakPolarHBondContact O-CD2 3.44Å; V161-Y165 PolarHBondContact O-N 3.06Å; H162-Y165 PolarHBondContact O-N 3.35Å; N163-Y165 PolarHBondContact O-N 2.93Å; Y165-M168 PolarHBondContact O-N 3.47Å; Y165-A169 WeakPolarHBondContact O-CB 3.41Å; Y165-A169 PolarHBondContact O-N 3.31Å; Y165-V383 HydrophobicContact CD1-CB 4.03Å; Y165-V383 HydrophobicContact CD1-CG1 4.39Å; Y165-V383 HydrophobicContact CD1-CG2 4.08Å; Y165-V383 HydrophobicContact CE1-CB 3.61Å; Y165-V383 HydrophobicContact CE1-CG1 3.79Å; Y165-V383 HydrophobicContact CE1-CG2 4.19Å; Y165-V383 HydrophobicContact CE2-CG1 4.13Å; Y165-F385 WeakPolarHBondContact OH-CZ 3.47Å
166K98Very high96.9Very high125 Ų12551.6 Ų51.654%0.54328%0.279SS..Hα-helixtrans-64-43.4174.5-179.2178.8177.4-176.60111.8H162 N163 L164 M168 A169 N170H162-K166 PolarHBondContact O-N 3.16Å; N163-K166 CarbonylContact O-C 3.59Å; N163-K166 WeakPolarHBondContact O-CB 3.48Å; N163-K166 PolarHBondContact O-N 3.31Å; N163-K166 VanDerWaalsContact O-N 3.14Å; L164-K166 VanDerWaalsContact C-N 3.34Å; L164-K166 PolarHBondContact O-N 3.35Å; K166-M168 VanDerWaalsContact C-N 3.33Å; K166-M168 PolarHBondContact O-N 2.79Å; K166-A169 PolarHBondContact O-N 3.45Å; K166-N170 WeakPolarHBondContact O-CB 3.28Å; K166-N170 VanDerWaalsContact O-CG 3.31Å; K166-N170 PolarHBondContact O-N 3.45Å; K166-N170 PolarHBondContact O-ND2 2.9Å
167M98.6Very high97Very high8 Ų851.4 Ų51.44%0.03928%0.279CS..Hα-helixtrans-61.9-41.9175.4-69.6171.471.300111.2T136 H140 N163 L164 N170 G171 I172 L173T136-M167 HydrophobicContact CG2-CE 4.14Å; T136-M167 HydrophobicContact CG2-SD 4.28Å; H140-M167 HydrophobicContact CB-CE 3.94Å; H140-M167 VanDerWaalsContact CD2-CE 3.45Å; H140-M167 WeakPolarHBondContact CD2-CE 3.33Å; H140-M167 VanDerWaalsContact CG-CE 3.4Å; N163-M167 VanDerWaalsContact O-CG 3.28Å; N163-M167 WeakPolarHBondContact O-CG 3.24Å; N163-M167 PolarHBondContact O-N 3Å; L164-M167 PolarHBondContact O-N 3.42Å; M167-N170 PolarHBondContact O-N 2.61Å; M167-G171 PolarHBondContact O-N 3.3Å; M167-I172 HydrophobicContact CB-CB 4.32Å; M167-I172 HydrophobicContact CE-CG2 4.25Å; M167-I172 PolarHBondContact O-N 3.36Å; M167-L173 HydrophobicContact CB-CB 3.94Å; M167-L173 HydrophobicContact CE-CD1 4.33Å; M167-L173 PolarHBondContact O-N 2.97Å; M167-L173 VanDerWaalsContact O-N 3.16Å
168M98.1Very high97.3Very high83 Ų8350.4 Ų50.441%0.40927%0.272SS..Hα-helixtrans-64.3-48.7176.8-177.259.8-178.300111.7L164 Y165 K166 N170 G171 L173L164-M168 WeakPolarHBondContact O-CB 3.4Å; L164-M168 PolarHBondContact O-N 2.84Å; Y165-M168 PolarHBondContact O-N 3.47Å; K166-M168 VanDerWaalsContact C-N 3.33Å; K166-M168 PolarHBondContact O-N 2.79Å; M168-N170 PolarHBondContact O-N 3.31Å; M168-G171 PolarHBondContact O-N 2.76Å; M168-L173 HydrophobicContact CB-CB 4.34Å; M168-L173 HydrophobicContact CB-CD2 4.06Å; M168-L173 HydrophobicContact SD-CD2 4.32Å
169A97.9Very high97.8Very high86 Ų8646.7 Ų46.771%0.71125%0.249SC*.Hα-helixtrans-59.7-33.2178.700000112.6Y165 K166 G171Y165-A169 WeakPolarHBondContact O-CB 3.41Å; Y165-A169 PolarHBondContact O-N 3.31Å; K166-A169 PolarHBondContact O-N 3.45Å; A169-G171 VanDerWaalsContact C-N 3.34Å
170N97.9Very high98.1Very high101 Ų10145 Ų4554%0.5424%0.239SC..THydrogen-bonded Turntrans-88.43.8177.2-66-37.1000113.7K166 M167 M168 I172K166-N170 WeakPolarHBondContact O-CB 3.28Å; K166-N170 VanDerWaalsContact O-CG 3.31Å; K166-N170 PolarHBondContact O-N 3.45Å; K166-N170 PolarHBondContact O-ND2 2.9Å; M167-N170 PolarHBondContact O-N 2.61Å; M168-N170 PolarHBondContact O-N 3.31Å; N170-I172 HydrophobicContact CB-CD1 3.78Å; N170-I172 HydrophobicContact CB-CG1 3.97Å; N170-I172 PolarHBondContact O-N 2.9Å
171G97.7Very high98.1Very high43 Ų4345.1 Ų45.144%0.44324%0.24SC..THydrogen-bonded Turntrans66.917.4-178.700000114.6M167 M168 A169 K174M167-G171 PolarHBondContact O-N 3.3Å; M168-G171 PolarHBondContact O-N 2.76Å; A169-G171 VanDerWaalsContact C-N 3.34Å; G171-K174 PolarHBondContact O-NZ 2.86Å
172I98.3Very high98.1Very high87 Ų8748 Ų4845%0.44626%0.255SS..  trans-86.2-37.3-178.4-60170.1000110.9M167 N170 K174M167-I172 HydrophobicContact CB-CB 4.32Å; M167-I172 HydrophobicContact CE-CG2 4.25Å; M167-I172 PolarHBondContact O-N 3.36Å; N170-I172 HydrophobicContact CB-CD1 3.78Å; N170-I172 HydrophobicContact CB-CG1 3.97Å; N170-I172 PolarHBondContact O-N 2.9Å; I172-K174 WeakPolarHBondContact O-CE 3.38Å; I172-K174 WeakPolarHBondContact O-CG 3.3Å; I172-K174 PolarHBondContact O-N 3.45Å
173L98.8Very high98.3Very high6 Ų641.9 Ų41.93%0.03123%0.227CC..  trans-61.1123.5-179.3-176.564.2000110.6I153 L164 M167 M168 V175 V381 V383I153-L173 HydrophobicContact CD1-CD1 4.32Å; L164-L173 HydrophobicContact CD2-CD1 3.81Å; M167-L173 HydrophobicContact CB-CB 3.94Å; M167-L173 HydrophobicContact CE-CD1 4.33Å; M167-L173 PolarHBondContact O-N 2.97Å; M167-L173 VanDerWaalsContact O-N 3.16Å; M168-L173 HydrophobicContact CB-CB 4.34Å; M168-L173 HydrophobicContact CB-CD2 4.06Å; M168-L173 HydrophobicContact SD-CD2 4.32Å; L173-V175 WeakPolarHBondContact CG-O 3.23Å; L173-V381 HydrophobicContact CG-CG1 4.4Å; L173-V381 VanDerWaalsContact O-CG1 3.3Å; L173-V381 WeakPolarHBondContact O-CG1 3.3Å; L173-V383 HydrophobicContact CD2-CG2 4.01Å
174K98.7Very high98.3Very high120 Ų12041.8 Ų41.852%0.52223%0.228SC..  trans-114.8-4.2-177.6-57.3-49.7179.7-170.70114.8H140 L147 G171 I172 V381H140-K174 PolarHBondContact NE2-N 3Å; L147-K174 HydrophobicContact CB-CB 4.43Å; L147-K174 HydrophobicContact CD1-CB 4.09Å; L147-K174 HydrophobicContact CD1-CG 4Å; L147-K174 HydrophobicContact CD2-CB 4.46Å; G171-K174 PolarHBondContact O-NZ 2.86Å; I172-K174 WeakPolarHBondContact O-CE 3.38Å; I172-K174 WeakPolarHBondContact O-CG 3.3Å; I172-K174 PolarHBondContact O-N 3.45Å; K174-V381 WeakPolarHBondContact O-CG2 3.45Å
175V98.8Very high98.3Very high1 Ų141.9 Ų41.91%0.00623%0.228CC..SBendtrans-125.6140-175.7-179.10000108.6L147 I150 I153 L173L147-V175 HydrophobicContact CD2-CG2 3.91Å; I150-V175 HydrophobicContact CB-CG1 4.41Å; I150-V175 HydrophobicContact CB-CG2 4.25Å; I150-V175 HydrophobicContact CG2-CG1 3.87Å; I150-V175 HydrophobicContact CG2-CG2 4.41Å; I153-V175 HydrophobicContact CD1-CB 3.8Å; I153-V175 HydrophobicContact CD1-CG1 4.01Å; I153-V175 HydrophobicContact CG1-CB 4.32Å; I153-V175 HydrophobicContact CG1-CG1 3.96Å; L173-V175 WeakPolarHBondContact CG-O 3.23Å
176P98.8Very high98.3Very high21 Ų2137.8 Ų37.814%0.13621%0.212CC..  trans-58.8137.3171.8-2132.8000111.3G152 I153 L372 Y379 V381G152-P176 CarbonylContact C-O 3.48Å; G152-P176 VanDerWaalsContact CA-O 3.31Å; G152-P176 WeakPolarHBondContact CA-O 3.42Å; I153-P176 PolarHBondContact N-O 3.02Å; P176-L372 HydrophobicContact CB-CD2 4.18Å; P176-Y379 VanDerWaalsContact CB-O 3.29Å; P176-Y379 WeakPolarHBondContact CB-O 3.41Å; P176-Y379 WeakPolarHBondContact CG-O 3.11Å; P176-V381 HydrophobicContact CG-CG2 4.46Å
177A98.9Very high98.2Very high0 Ų031.9 Ų31.90%019%0.187CC..EExtended strand (participates in β ladder)trans-126.1137179.700000111.7I153 L164 G382 V383 H384I153-A177 HydrophobicContact CB-CB 4.04Å; I153-A177 HydrophobicContact CG2-CB 4.4Å; I153-A177 CarbonylContact O-C 2.94Å; I153-A177 VanDerWaalsContact O-CA 3.22Å; I153-A177 WeakPolarHBondContact O-CA 3.48Å; L164-A177 HydrophobicContact CD1-CB 3.8Å; L164-A177 HydrophobicContact CD2-CB 4.2Å; A177-G382 PolarHBondContact N-O 2.6Å; A177-V383 CarbonylContact O-C 3.2Å; A177-V383 WeakPolarHBondContact O-CA 3.44Å; A177-H384 PolarHBondContact O-CD2 3.25Å; A177-H384 PolarHBondContact O-N 2.94Å
178I98.9Very high98.2Very high0 Ų034.1 Ų34.10%020%0.197CC..EExtended strand (participates in β ladder)trans-100123.3165.6-70179.9000108.7I153 S154 E155 V180 A368 E371 L372 Y379 H384 L386I153-I178 PolarHBondContact O-N 2.79Å; S154-I178 WeakPolarHBondContact CA-O 3.35Å; E155-I178 PolarHBondContact N-O 3.18Å; I178-V180 HydrophobicContact CG2-CG2 4.21Å; I178-V180 PolarHBondContact O-N 2.92Å; I178-A368 HydrophobicContact CB-CB 4.04Å; I178-A368 HydrophobicContact CD1-CB 4.06Å; I178-A368 HydrophobicContact CG2-CB 3.7Å; I178-E371 HydrophobicContact CD1-CB 4.14Å; I178-L372 HydrophobicContact CB-CD1 4.21Å; I178-L372 HydrophobicContact CD1-CD1 4.01Å; I178-L372 HydrophobicContact CD1-CD2 4.18Å; I178-L372 HydrophobicContact CD1-CG 3.68Å; I178-L372 HydrophobicContact CG1-CD1 3.98Å; I178-L372 HydrophobicContact CG1-CD2 4.08Å; I178-L372 HydrophobicContact CG1-CG 3.96Å; I178-Y379 HydrophobicContact CD1-CD1 4.5Å; I178-Y379 HydrophobicContact CD1-CE1 4.01Å; I178-Y379 HydrophobicContact CG1-CD1 4.44Å; I178-Y379 HydrophobicContact CG1-CE1 4.27Å; I178-H384 CarbonylContact C-O 3.54Å; I178-H384 WeakPolarHBondContact CA-O 3.48Å; I178-L386 HydrophobicContact CD1-CD2 4.22Å; I178-L386 HydrophobicContact CG2-CD2 4.25Å; I178-L386 HydrophobicContact CG2-CG 3.9Å
179N98.6Very high98.2Very high0 Ų033.4 Ų33.40%019%0.191CC..EExtended strand (participates in β ladder)trans-75.7102.3168.9173.2-6.9000108.6V161 N181 D182 V383 H384 F385V161-N179 HydrophobicContact CG1-CB 4.33Å; V161-N179 WeakPolarHBondContact CG1-ND2 3.47Å; V161-N179 HydrophobicContact CG2-CB 4.16Å; V161-N179 WeakPolarHBondContact CG2-OD1 3.35Å; N179-N181 WeakPolarHBondContact OD1-CB 3.13Å; N179-N181 PolarHBondContact OD1-N 2.77Å; N179-D182 PolarHBondContact ND2-OD2 3.31Å; N179-D182 PolarHBondContact OD1-N 2.79Å; N179-V383 HydrophobicContact CB-CG1 3.88Å; N179-H384 PolarHBondContact N-O 3.25Å; N179-F385 HydrophobicContact CB-CD1 4.3Å; N179-F385 HydrophobicContact CB-CE1 4.4Å; N179-F385 VanDerWaalsContact ND2-CE1 3.32Å; N179-F385 WeakPolarHBondContact ND2-CE1 3.14Å
180V98.4Very high98.2Very high0 Ų029.8 Ų29.80%016%0.16CC..  trans-80.3-35.3175.7173.60000110.3E155 I178 D182 S183 K186 N364 Q365 A368E155-V180 WeakPolarHBondContact O-CB 3.42Å; E155-V180 PolarHBondContact O-N 3.34Å; I178-V180 HydrophobicContact CG2-CG2 4.21Å; I178-V180 PolarHBondContact O-N 2.92Å; V180-D182 VanDerWaalsContact C-N 3.27Å; V180-D182 PolarHBondContact O-N 2.93Å; V180-D182 VanDerWaalsContact O-N 3.17Å; V180-S183 WeakPolarHBondContact O-CB 3.28Å; V180-S183 PolarHBondContact O-N 3.21Å; V180-S183 PolarHBondContact O-OG 3.4Å; V180-K186 HydrophobicContact CG1-CG 4.24Å; V180-K186 WeakPolarHBondContact O-CB 3.45Å; V180-N364 HydrophobicContact CG1-CB 3.63Å; V180-Q365 HydrophobicContact CG1-CG 4.19Å; V180-Q365 HydrophobicContact CG2-CG 4.49Å; V180-A368 HydrophobicContact CG2-CB 3.83Å
181N97.2Very high98.2Very high3 Ų325.6 Ų25.62%0.01614%0.137CC..THydrogen-bonded Turntrans-48-47.9-178.6-174.470.5000113.2E155 E156 T158 V161 N179 S183 K186 S187 N191E155-N181 PolarHBondContact O-N 3.28Å; E156-N181 VanDerWaalsContact O-CA 3.32Å; E156-N181 WeakPolarHBondContact O-CA 3.39Å; E156-N181 VanDerWaalsContact O-CB 3.23Å; E156-N181 WeakPolarHBondContact O-CB 3.42Å; E156-N181 PolarHBondContact O-OD1 3.34Å; T158-N181 VanDerWaalsContact N-CG 3.34Å; T158-N181 PolarHBondContact N-OD1 3.23Å; T158-N181 PolarHBondContact OG1-ND2 3.47Å; T158-N181 VanDerWaalsContact OG1-ND2 3.12Å; T158-N181 PolarHBondContact OG1-OD1 3.32Å; V161-N181 HydrophobicContact CG2-CB 3.86Å; N179-N181 WeakPolarHBondContact OD1-CB 3.13Å; N179-N181 PolarHBondContact OD1-N 2.77Å; N181-S183 VanDerWaalsContact C-N 3.3Å; N181-S183 PolarHBondContact O-N 3.34Å; N181-K186 PolarHBondContact OD1-NZ 3.08Å; N181-S187 WeakPolarHBondContact O-CA 3.33Å; N181-S187 WeakPolarHBondContact O-CB 3.45Å; N181-S187 PolarHBondContact O-N 2.93Å; N181-S187 VanDerWaalsContact O-N 3.08Å; N181-N191 PolarHBondContact OD1-ND2 3.44Å
182D97.6Very high98.3Very high67 Ų6724.8 Ų24.836%0.35812%0.123SC..THydrogen-bonded Turntrans-90.18.2-172.7-65.5-27.3000113.6N179 V180 V184 F385N179-D182 PolarHBondContact ND2-OD2 3.31Å; N179-D182 PolarHBondContact OD1-N 2.79Å; V180-D182 VanDerWaalsContact C-N 3.27Å; V180-D182 PolarHBondContact O-N 2.93Å; V180-D182 VanDerWaalsContact O-N 3.17Å; D182-V184 PolarHBondContact O-N 2.84Å; D182-F385 HydrophobicContact CB-CD1 4.14Å; D182-F385 HydrophobicContact CB-CE1 3.68Å
183S98.5Very high98.3Very high5 Ų524.6 Ų24.64%0.03512%0.117CC..SBendtrans-58.6138.1158.5-56.60000108V180 N181 T185 K186 S187 N364V180-S183 WeakPolarHBondContact O-CB 3.28Å; V180-S183 PolarHBondContact O-N 3.21Å; V180-S183 PolarHBondContact O-OG 3.4Å; N181-S183 VanDerWaalsContact C-N 3.3Å; N181-S183 PolarHBondContact O-N 3.34Å; S183-T185 VanDerWaalsContact C-N 3.27Å; S183-T185 PolarHBondContact O-N 2.75Å; S183-K186 PolarHBondContact O-N 3.09Å; S183-S187 PolarHBondContact O-N 3.45Å; S183-S187 PolarHBondContact O-OG 2.81Å; S183-N364 WeakPolarHBondContact CB-OD1 3.22Å; S183-N364 PolarHBondContact OG-OD1 3.37Å
184V98.5Very high98.3Very high32 Ų3224.3 Ų24.319%0.19412%0.115CC..Hα-helixtrans-58.5-46.3-177.1156.50000109.8D182 K186 K188 F189 D391 Y432D182-V184 PolarHBondContact O-N 2.84Å; V184-K186 PolarHBondContact O-N 3.49Å; V184-K188 PolarHBondContact O-N 2.89Å; V184-F189 WeakPolarHBondContact O-CD2 3.26Å; V184-D391 WeakPolarHBondContact CB-OD2 3.44Å; V184-D391 PolarHBondContact N-OD1 3.34Å; V184-D391 PolarHBondContact N-OD2 3.22Å; V184-Y432 HydrophobicContact CB-CD1 3.82Å; V184-Y432 HydrophobicContact CB-CE1 3.5Å; V184-Y432 VanDerWaalsContact CB-CE1 3.5Å; V184-Y432 HydrophobicContact CG1-CD1 3.13Å; V184-Y432 HydrophobicContact CG1-CE1 3.33Å; V184-Y432 HydrophobicContact CG1-CG 4.27Å; V184-Y432 HydrophobicContact CG2-CD1 3.88Å; V184-Y432 HydrophobicContact CG2-CE1 3.56Å; V184-Y432 WeakPolarHBondContact O-CE1 3.23Å
185T98.4Very high98.3Very high3 Ų318.8 Ų18.82%0.0189%0.092CC..Hα-helixtrans-68.6-8.8178.451.70000114.6S183 F189 N360 N364 D391 V394 A395S183-T185 VanDerWaalsContact C-N 3.27Å; S183-T185 PolarHBondContact O-N 2.75Å; T185-F189 HydrophobicContact CG2-CE2 4.48Å; T185-F189 WeakPolarHBondContact O-CB 3.33Å; T185-N360 VanDerWaalsContact O-CB 3.26Å; T185-N360 WeakPolarHBondContact O-CB 3.37Å; T185-N364 PolarHBondContact OG1-ND2 3.18Å; T185-D391 WeakPolarHBondContact CB-OD1 3.44Å; T185-D391 VanDerWaalsContact CG2-O 3.3Å; T185-D391 WeakPolarHBondContact CG2-O 3.37Å; T185-D391 WeakPolarHBondContact CG2-OD1 3.33Å; T185-D391 PolarHBondContact N-OD1 3.24Å; T185-D391 PolarHBondContact OG1-OD1 3.04Å; T185-V394 HydrophobicContact CG2-CB 4.17Å; T185-V394 HydrophobicContact CG2-CG1 4.22Å; T185-A395 HydrophobicContact CG2-CB 3.7Å
186K98.6Very high98.3Very high2 Ų222.5 Ų22.51%0.00911%0.106CC..Hα-helixtrans-95.3-74.4169.6-164.1-65.2-175.3165.90109.4E156 V180 N181 S183 V184 K188 F189 D190 N191E156-K186 WeakPolarHBondContact O-CE 3.33Å; E156-K186 PolarHBondContact O-NZ 3.44Å; E156-K186 WeakPolarHBondContact OE1-CE 3.39Å; E156-K186 IonicContact OE1-NZ 2.87Å; V180-K186 HydrophobicContact CG1-CG 4.24Å; V180-K186 WeakPolarHBondContact O-CB 3.45Å; N181-K186 PolarHBondContact OD1-NZ 3.08Å; S183-K186 PolarHBondContact O-N 3.09Å; V184-K186 PolarHBondContact O-N 3.49Å; K186-K188 PolarHBondContact O-N 2.7Å; K186-F189 PolarHBondContact O-N 3.46Å; K186-D190 HydrophobicContact CD-CB 3.99Å; K186-D190 VanDerWaalsContact O-CB 3.3Å; K186-D190 WeakPolarHBondContact O-CB 3.46Å; K186-D190 PolarHBondContact O-N 3.03Å; K186-N191 PolarHBondContact NZ-OD1 2.84Å
187S95.8Very high98.3Very high2 Ų227 Ų271%0.01413%0.125CC..Hα-helixtrans-48.1-46.3-173.144.90000115.6N181 S183 N191 Y432N181-S187 WeakPolarHBondContact O-CA 3.33Å; N181-S187 WeakPolarHBondContact O-CB 3.45Å; N181-S187 PolarHBondContact O-N 2.93Å; N181-S187 VanDerWaalsContact O-N 3.08Å; S183-S187 PolarHBondContact O-N 3.45Å; S183-S187 PolarHBondContact O-OG 2.81Å; S187-N191 WeakPolarHBondContact O-CB 3.38Å; S187-Y432 WeakPolarHBondContact CB-OH 3.47Å; S187-Y432 PolarHBondContact OG-OH 2.8Å
188K98.1Very high98.3Very high55 Ų5527.1 Ų27.124%0.23913%0.126CC..THydrogen-bonded Turntrans-92.91.8-178.8-65-59.2177.6-153.70115.2V184 K186 Y193 D223 Y432V184-K188 PolarHBondContact O-N 2.89Å; K186-K188 PolarHBondContact O-N 2.7Å; K188-Y193 WeakPolarHBondContact O-CE2 3.26Å; K188-D223 WeakPolarHBondContact CD-OD1 3.49Å; K188-D223 WeakPolarHBondContact CE-OD1 3.42Å; K188-D223 IonicContact NZ-OD1 3.61Å; K188-D223 PolarHBondContact NZ-OD1 3.38Å; K188-D223 IonicContact NZ-OD2 3.01Å; K188-D223 PolarHBondContact NZ-OD2 3.33Å; K188-Y432 HydrophobicContact CB-CD1 3.63Å; K188-Y432 HydrophobicContact CB-CE1 3.39Å; K188-Y432 HydrophobicContact CB-CG 4.27Å; K188-Y432 HydrophobicContact CD-CD2 4.04Å; K188-Y432 HydrophobicContact CD-CE1 4.16Å; K188-Y432 HydrophobicContact CD-CE2 3.74Å; K188-Y432 VanDerWaalsContact CE-OH 3.28Å; K188-Y432 WeakPolarHBondContact CE-OH 3.3Å; K188-Y432 HydrophobicContact CG-CD1 3.29Å; K188-Y432 HydrophobicContact CG-CD2 3.49Å; K188-Y432 VanDerWaalsContact CG-CD2 3.49Å; K188-Y432 HydrophobicContact CG-CE1 2.89Å; K188-Y432 HydrophobicContact CG-CE2 3.28Å; K188-Y432 HydrophobicContact CG-CG 3.61Å; K188-Y432 WeakPolarHBondContact CG-OH 3.43Å
189F98.4Very high98.3Very high68 Ų6827.1 Ų27.130%0.29813%0.126SC..THydrogen-bonded Turntrans-109.8-61.8174.8-69.1-98.8000109.6V184 T185 K186 Y193 G194 V357V184-F189 WeakPolarHBondContact O-CD2 3.26Å; T185-F189 HydrophobicContact CG2-CE2 4.48Å; T185-F189 WeakPolarHBondContact O-CB 3.33Å; K186-F189 PolarHBondContact O-N 3.46Å; F189-Y193 HydrophobicContact CB-CD2 4.23Å; F189-Y193 AromaticContact CD1-CD2 3.88Å; F189-Y193 HydrophobicContact CD1-CD2 3.88Å; F189-Y193 AromaticContact CD1-CE2 3.79Å; F189-Y193 HydrophobicContact CD1-CE2 3.79Å; F189-Y193 HydrophobicContact CE1-CE2 4.14Å; F189-Y193 HydrophobicContact CG-CD2 4.26Å; F189-Y193 HydrophobicContact CG-CE2 4.24Å; F189-Y193 WeakPolarHBondContact O-CA 3.5Å; F189-Y193 VanDerWaalsContact O-CB 3.26Å; F189-Y193 WeakPolarHBondContact O-CB 3.3Å; F189-Y193 PolarHBondContact O-N 3.34Å; F189-G194 PolarHBondContact O-N 3.09Å; F189-V357 HydrophobicContact CB-CG2 3.98Å; F189-V357 WeakPolarHBondContact O-CG2 3.18Å
190D98.2Very high98.3Very high9 Ų927.6 Ų27.65%0.04813%0.128CC..Iπ-helixtrans-61.7-65.6-178.9-169.6-43.1000111.8K186 L192 G194 H353 V357 M358 S361K186-D190 HydrophobicContact CD-CB 3.99Å; K186-D190 VanDerWaalsContact O-CB 3.3Å; K186-D190 WeakPolarHBondContact O-CB 3.46Å; K186-D190 PolarHBondContact O-N 3.03Å; D190-L192 PolarHBondContact O-N 3.3Å; D190-L192 VanDerWaalsContact O-N 3.11Å; D190-G194 VanDerWaalsContact O-CA 3.22Å; D190-G194 WeakPolarHBondContact O-CA 3.44Å; D190-G194 PolarHBondContact O-N 3.36Å; D190-H353 PolarHBondContact O-CE1 3.02Å; D190-H353 IonicContact OD1-CE1 3.23Å; D190-H353 PolarHBondContact OD1-CE1 3.46Å; D190-H353 IonicContact OD1-ND1 3.33Å; D190-H353 PolarHBondContact OD1-ND1 3.08Å; D190-V357 HydrophobicContact CB-CG2 4.44Å; D190-M358 VanDerWaalsContact OD2-SD 3.39Å; D190-S361 VanDerWaalsContact CB-OG 3.28Å; D190-S361 WeakPolarHBondContact CB-OG 3.42Å; D190-S361 WeakPolarHBondContact OD2-CB 3.4Å; D190-S361 PolarHBondContact OD2-OG 3.12Å
191N97.5Very high98.3Very high13 Ų1330 Ų307%0.0714%0.141CC..Iπ-helixtrans-61.9-30.8-173.5-54.6-8.6000111.3N181 K186 S187 C195 D223 V224N181-N191 PolarHBondContact OD1-ND2 3.44Å; K186-N191 PolarHBondContact NZ-OD1 2.84Å; S187-N191 WeakPolarHBondContact O-CB 3.38Å; N191-C195 VanDerWaalsContact O-CB 3.32Å; N191-C195 WeakPolarHBondContact O-CB 3.33Å; N191-C195 PolarHBondContact O-SG 3.11Å; N191-D223 HydrophobicContact CB-CB 3.8Å; N191-D223 CarbonylContact O-C 3.59Å; N191-V224 HydrophobicContact CB-CG2 4.03Å; N191-V224 VanDerWaalsContact O-CA 3.29Å; N191-V224 WeakPolarHBondContact O-CA 3.45Å
192L98.5Very high98.4Very high26 Ų2629.9 Ų29.914%0.13614%0.141CC..Iπ-helixtrans-88-66.7-179-179.364.2000112.7D190 R196 D223 K226 G227D190-L192 PolarHBondContact O-N 3.3Å; D190-L192 VanDerWaalsContact O-N 3.11Å; L192-R196 WeakPolarHBondContact O-CB 3.36Å; L192-R196 PolarHBondContact O-N 2.71Å; L192-R196 VanDerWaalsContact O-N 3.09Å; L192-D223 WeakPolarHBondContact CD1-O 3.31Å; L192-K226 HydrophobicContact CD1-CB 3.65Å; L192-G227 WeakPolarHBondContact O-CA 3.42Å
193Y98.6Very high98.4Very high83 Ų8326.7 Ų26.733%0.32512%0.124SC..Iπ-helixtrans-77.4-33.5-173-53.5-49000112.3K188 F189 R196 E197K188-Y193 WeakPolarHBondContact O-CE2 3.26Å; F189-Y193 HydrophobicContact CB-CD2 4.23Å; F189-Y193 AromaticContact CD1-CD2 3.88Å; F189-Y193 HydrophobicContact CD1-CD2 3.88Å; F189-Y193 AromaticContact CD1-CE2 3.79Å; F189-Y193 HydrophobicContact CD1-CE2 3.79Å; F189-Y193 HydrophobicContact CE1-CE2 4.14Å; F189-Y193 HydrophobicContact CG-CD2 4.26Å; F189-Y193 HydrophobicContact CG-CE2 4.24Å; F189-Y193 WeakPolarHBondContact O-CA 3.5Å; F189-Y193 VanDerWaalsContact O-CB 3.26Å; F189-Y193 WeakPolarHBondContact O-CB 3.3Å; F189-Y193 PolarHBondContact O-N 3.34Å; Y193-R196 VanDerWaalsContact CD1-CZ 3.42Å; Y193-R196 VanDerWaalsContact CD1-NH2 3.27Å; Y193-R196 WeakPolarHBondContact O-CB 3.29Å; Y193-R196 PolarHBondContact O-N 3.42Å; Y193-E197 PolarHBondContact O-N 2.96Å
194G98.4Very high98.4Very high0 Ų029.5 Ų29.50%014%0.135CC..Iπ-helixtrans-63.1-47174.800000112.2F189 D190 R196 E197 S198 H353F189-G194 PolarHBondContact O-N 3.09Å; D190-G194 VanDerWaalsContact O-CA 3.22Å; D190-G194 WeakPolarHBondContact O-CA 3.44Å; D190-G194 PolarHBondContact O-N 3.36Å; G194-R196 VanDerWaalsContact C-N 3.32Å; G194-R196 PolarHBondContact O-N 3.28Å; G194-E197 PolarHBondContact O-N 3.24Å; G194-S198 VanDerWaalsContact O-CB 3.29Å; G194-S198 WeakPolarHBondContact O-CB 3.22Å; G194-S198 PolarHBondContact O-N 3.23Å; G194-S198 PolarHBondContact O-OG 3.49Å; G194-H353 PolarHBondContact O-CD2 2.94Å
195C98.6Very high98.4Very high5 Ų533.5 Ų33.53%0.03415%0.147CC..Hα-helixtrans-67.4-33.5175.7-72.50000112.3N191 E197 L199 V224 I299 H353N191-C195 VanDerWaalsContact O-CB 3.32Å; N191-C195 WeakPolarHBondContact O-CB 3.33Å; N191-C195 PolarHBondContact O-SG 3.11Å; C195-E197 VanDerWaalsContact C-N 3.26Å; C195-E197 PolarHBondContact O-N 2.96Å; C195-L199 VanDerWaalsContact O-CB 3.24Å; C195-L199 WeakPolarHBondContact O-CB 3.35Å; C195-L199 PolarHBondContact O-N 2.82Å; C195-L199 VanDerWaalsContact O-N 3.09Å; C195-V224 HydrophobicContact CB-CG1 4.27Å; C195-I299 HydrophobicContact CB-CD1 4.34Å; C195-H353 PolarHBondContact N-NE2 2.79Å; C195-H353 PolarHBondContact SG-NE2 3.08Å
196R98.8Very high98.4Very high78 Ų7833.7 Ų33.729%0.29415%0.149SC..Hα-helixtrans-60.3-34175.3-173.5174.170.6-172.70.1112.9L192 Y193 G194 G227 Q230 A231L192-R196 WeakPolarHBondContact O-CB 3.36Å; L192-R196 PolarHBondContact O-N 2.71Å; L192-R196 VanDerWaalsContact O-N 3.09Å; Y193-R196 VanDerWaalsContact CD1-CZ 3.42Å; Y193-R196 VanDerWaalsContact CD1-NH2 3.27Å; Y193-R196 WeakPolarHBondContact O-CB 3.29Å; Y193-R196 PolarHBondContact O-N 3.42Å; G194-R196 VanDerWaalsContact C-N 3.32Å; G194-R196 PolarHBondContact O-N 3.28Å; R196-G227 WeakPolarHBondContact CA-O 3.47Å; R196-G227 WeakPolarHBondContact CB-O 3.24Å; R196-G227 WeakPolarHBondContact CG-O 3.19Å; R196-Q230 HydrophobicContact CG-CB 4.49Å; R196-A231 HydrophobicContact CG-CB 4Å; R196-A231 WeakPolarHBondContact O-CB 3.16Å
197E98.8Very high98.5Very high116 Ų11635.2 Ų35.254%0.54216%0.158SC..Hα-helixtrans-87.3-47.1176.8-67.3-169.2-144.200111.9Y193 G194 C195Y193-E197 PolarHBondContact O-N 2.96Å; G194-E197 PolarHBondContact O-N 3.24Å; C195-E197 VanDerWaalsContact C-N 3.26Å; C195-E197 PolarHBondContact O-N 2.96Å
198S98.8Very high98.6Very high3 Ų341 Ų412%0.02119%0.189CC..Hα-helixtrans-82.9-23.6-165.668.10000115.2G194 D201 G202 N346 G352 H353G194-S198 VanDerWaalsContact O-CB 3.29Å; G194-S198 WeakPolarHBondContact O-CB 3.22Å; G194-S198 PolarHBondContact O-N 3.23Å; G194-S198 PolarHBondContact O-OG 3.49Å; S198-D201 PolarHBondContact O-N 3.48Å; S198-G202 PolarHBondContact O-N 3.05Å; S198-N346 WeakPolarHBondContact OG-CB 3.45Å; S198-N346 PolarHBondContact OG-ND2 3.47Å; S198-G352 WeakPolarHBondContact CB-O 3.23Å; S198-H353 PolarHBondContact OG-CD2 3.45Å; S198-H353 PolarHBondContact OG-NE2 3.26Å
199L98.9Very high98.6Very high0 Ų039.9 Ų39.90%019%0.187CC..Hα-helixtrans-58.9-52175.8170.366.5000110.9C195 D201 G202 I203 C228 L232 V273 I299 V345C195-L199 VanDerWaalsContact O-CB 3.24Å; C195-L199 WeakPolarHBondContact O-CB 3.35Å; C195-L199 PolarHBondContact O-N 2.82Å; C195-L199 VanDerWaalsContact O-N 3.09Å; L199-D201 VanDerWaalsContact C-N 3.29Å; L199-D201 PolarHBondContact O-N 3.05Å; L199-G202 PolarHBondContact O-N 3.41Å; L199-I203 HydrophobicContact CD1-CD1 3.9Å; L199-I203 HydrophobicContact CD1-CG1 4.38Å; L199-I203 HydrophobicContact CG-CD1 4.05Å; L199-I203 WeakPolarHBondContact O-CG1 2.85Å; L199-I203 PolarHBondContact O-N 3.41Å; L199-I203 VanDerWaalsContact O-N 3.08Å; L199-C228 HydrophobicContact CD2-CB 3.47Å; L199-C228 VanDerWaalsContact CD2-CB 3.47Å; L199-L232 HydrophobicContact CD2-CD1 4.05Å; L199-L232 HydrophobicContact CD2-CG 4.24Å; L199-V273 HydrophobicContact CD1-CG1 3.69Å; L199-V273 HydrophobicContact CD1-CG2 4.14Å; L199-V273 HydrophobicContact CD2-CG1 4.14Å; L199-V273 HydrophobicContact CD2-CG2 4.17Å; L199-I299 HydrophobicContact CB-CD1 3.91Å; L199-I299 HydrophobicContact CD1-CD1 4.11Å; L199-V345 HydrophobicContact CD1-CG1 3.84Å
200I98.8Very high98.6Very high9 Ų942.6 Ų42.65%0.04620%0.202CC..Hα-helixtrans-66.4-37.1-176.8-62.6-64.3000110I203 K204 I211 A231 L232 F235I200-I203 PolarHBondContact O-N 3.04Å; I200-K204 HydrophobicContact CG2-CG 3.94Å; I200-K204 VanDerWaalsContact O-CB 3.23Å; I200-K204 WeakPolarHBondContact O-CB 3.46Å; I200-K204 WeakPolarHBondContact O-CG 3.32Å; I200-K204 PolarHBondContact O-N 2.96Å; I200-I211 HydrophobicContact CD1-CD1 4.45Å; I200-I211 HydrophobicContact CD1-CG1 4.49Å; I200-A231 HydrophobicContact CD1-CB 4.41Å; I200-A231 HydrophobicContact CG1-CB 3.75Å; I200-L232 HydrophobicContact CD1-CD2 3.59Å; I200-L232 HydrophobicContact CD1-CG 3.97Å; I200-F235 HydrophobicContact CG1-CD2 4.31Å; I200-F235 HydrophobicContact CG2-CD2 4.16Å; I200-F235 HydrophobicContact CG2-CE2 3.91Å; I200-F235 HydrophobicContact CG2-CZ 4.12Å
201D98.8Very high98.7Very high51 Ų5142.3 Ų42.327%0.27320%0.2SC..Hα-helixtrans-59.1-47.6175.1-167.720.9000111.5S198 L199 I203 K204 R205 A350S198-D201 PolarHBondContact O-N 3.48Å; L199-D201 VanDerWaalsContact C-N 3.29Å; L199-D201 PolarHBondContact O-N 3.05Å; D201-I203 PolarHBondContact O-N 3.42Å; D201-K204 PolarHBondContact O-N 3.14Å; D201-R205 VanDerWaalsContact CG-NE 3.34Å; D201-R205 WeakPolarHBondContact O-CG 3.39Å; D201-R205 PolarHBondContact O-N 2.81Å; D201-R205 IonicContact OD1-CZ 3.7Å; D201-R205 IonicContact OD1-NE 2.83Å; D201-R205 PolarHBondContact OD1-NE 3.46Å; D201-R205 IonicContact OD1-NH2 3.18Å; D201-R205 IonicContact OD2-CZ 3.4Å; D201-R205 IonicContact OD2-NE 3.88Å; D201-R205 PolarHBondContact OD2-NE 2.91Å; D201-R205 IonicContact OD2-NH2 2.88Å; D201-R205 PolarHBondContact OD2-NH2 2.9Å; D201-A350 HydrophobicContact CB-CB 4.16Å
202G98.8Very high98.7Very high0 Ų043.5 Ų43.50%021%0.212CC..Hα-helixtrans-56.6-5017500000113S198 L199 K204 A206 C349S198-G202 PolarHBondContact O-N 3.05Å; L199-G202 PolarHBondContact O-N 3.41Å; G202-K204 VanDerWaalsContact C-N 3.33Å; G202-K204 PolarHBondContact O-N 3.15Å; G202-A206 VanDerWaalsContact O-CB 3.23Å; G202-A206 WeakPolarHBondContact O-CB 3.48Å; G202-A206 PolarHBondContact O-N 2.75Å; G202-A206 VanDerWaalsContact O-N 3.11Å; G202-C349 WeakPolarHBondContact O-CB 3.36Å
203I98.9Very high98.7Very high0 Ų045.7 Ų45.70%024%0.241CC..Hα-helixtrans-62-42.3178-66.8170.8000110.9L199 I200 D201 A206 T207 V209 I211 I271 V273 L339L199-I203 HydrophobicContact CD1-CD1 3.9Å; L199-I203 HydrophobicContact CD1-CG1 4.38Å; L199-I203 HydrophobicContact CG-CD1 4.05Å; L199-I203 WeakPolarHBondContact O-CG1 2.85Å; L199-I203 PolarHBondContact O-N 3.41Å; L199-I203 VanDerWaalsContact O-N 3.08Å; I200-I203 PolarHBondContact O-N 3.04Å; D201-I203 PolarHBondContact O-N 3.42Å; I203-A206 PolarHBondContact O-N 2.86Å; I203-T207 PolarHBondContact O-N 3.17Å; I203-T207 PolarHBondContact O-OG1 3.44Å; I203-V209 HydrophobicContact CG2-CG1 3.85Å; I203-I211 HydrophobicContact CG2-CD1 4.06Å; I203-I271 HydrophobicContact CD1-CG2 4.06Å; I203-V273 HydrophobicContact CD1-CG2 4.46Å; I203-L339 HydrophobicContact CG1-CD1 4.31Å
204K98.9Very high98.7Very high64 Ų6444.3 Ų44.328%0.27824%0.237SC..Hα-helixtrans-66.6-53.2-178-78.4-66.7-166.81760112I200 D201 G202 A206 T207 D208 V209I200-K204 HydrophobicContact CG2-CG 3.94Å; I200-K204 VanDerWaalsContact O-CB 3.23Å; I200-K204 WeakPolarHBondContact O-CB 3.46Å; I200-K204 WeakPolarHBondContact O-CG 3.32Å; I200-K204 PolarHBondContact O-N 2.96Å; D201-K204 PolarHBondContact O-N 3.14Å; G202-K204 VanDerWaalsContact C-N 3.33Å; G202-K204 PolarHBondContact O-N 3.15Å; K204-A206 PolarHBondContact O-N 3.41Å; K204-T207 PolarHBondContact O-N 3.41Å; K204-D208 WeakPolarHBondContact O-CA 3.46Å; K204-D208 PolarHBondContact O-N 3.47Å; K204-V209 WeakPolarHBondContact CE-O 3.01Å; K204-V209 PolarHBondContact NZ-O 2.8Å
205R98.5Very high98.7Very high116 Ų11644.9 Ų44.944%0.43824%0.24SC..Hα-helixtrans-61.3-32.2178.4-65.7-173.8-162.4-157.88.9112.2D201 K322 C349 M351D201-R205 VanDerWaalsContact CG-NE 3.34Å; D201-R205 WeakPolarHBondContact O-CG 3.39Å; D201-R205 PolarHBondContact O-N 2.81Å; D201-R205 IonicContact OD1-CZ 3.7Å; D201-R205 IonicContact OD1-NE 2.83Å; D201-R205 PolarHBondContact OD1-NE 3.46Å; D201-R205 IonicContact OD1-NH2 3.18Å; D201-R205 IonicContact OD2-CZ 3.4Å; D201-R205 IonicContact OD2-NE 3.88Å; D201-R205 PolarHBondContact OD2-NE 2.91Å; D201-R205 IonicContact OD2-NH2 2.88Å; D201-R205 PolarHBondContact OD2-NH2 2.9Å; R205-K322 PolarHBondContact O-NZ 3.14Å; R205-C349 WeakPolarHBondContact CB-O 3.28Å; R205-M351 VanDerWaalsContact NH1-CG 3.3Å
206A98.6Very high98.8Very high7 Ų744.6 Ų44.66%0.05824%0.238CC..Hα-helixtrans-71.3-44.6176.500000113.1G202 I203 K204 K322 V325 L339 C349G202-A206 VanDerWaalsContact O-CB 3.23Å; G202-A206 WeakPolarHBondContact O-CB 3.48Å; G202-A206 PolarHBondContact O-N 2.75Å; G202-A206 VanDerWaalsContact O-N 3.11Å; I203-A206 PolarHBondContact O-N 2.86Å; K204-A206 PolarHBondContact O-N 3.41Å; A206-K322 WeakPolarHBondContact O-CE 3.16Å; A206-K322 PolarHBondContact O-NZ 3.2Å; A206-K322 VanDerWaalsContact O-NZ 3.15Å; A206-V325 HydrophobicContact CB-CG2 3.79Å; A206-L339 HydrophobicContact CB-CD1 3.92Å; A206-L339 HydrophobicContact CB-CD2 3.75Å; A206-L339 HydrophobicContact CB-CG 4.42Å; A206-C349 HydrophobicContact CB-CB 4.09Å
207T98.8Very high98.8Very high34 Ų3440.9 Ų40.921%0.20922%0.224CC..Hα-helixtrans-128.6-14.9-161.567.20000115.7I203 K204 V209 I295 I337 L339I203-T207 PolarHBondContact O-N 3.17Å; I203-T207 PolarHBondContact O-OG1 3.44Å; K204-T207 PolarHBondContact O-N 3.41Å; T207-V209 PolarHBondContact O-N 2.92Å; T207-V209 WeakPolarHBondContact OG1-CB 3.23Å; T207-V209 VanDerWaalsContact OG1-CG1 3.28Å; T207-V209 WeakPolarHBondContact OG1-CG1 3.36Å; T207-V209 PolarHBondContact OG1-N 2.89Å; T207-I295 HydrophobicContact CG2-CD1 3.98Å; T207-I295 HydrophobicContact CG2-CG1 4.38Å; T207-I337 HydrophobicContact CG2-CG2 4.23Å; T207-L339 HydrophobicContact CG2-CD1 4.37Å; T207-L339 HydrophobicContact CG2-CD2 3.83Å
208D98.5Very high98.8Very high125 Ų12535.4 Ų35.467%0.66820%0.198SC*.  trans53.714.6-172.4-62.3-70.8000114.4K204K204-D208 WeakPolarHBondContact O-CA 3.46Å; K204-D208 PolarHBondContact O-N 3.47Å
209V98.8Very high98.8Very high30 Ų3035.2 Ų35.218%0.18220%0.197CC..  trans-64.6144.1-170.874.40000112.2I203 K204 T207 I211 I295I203-V209 HydrophobicContact CG2-CG1 3.85Å; K204-V209 WeakPolarHBondContact CE-O 3.01Å; K204-V209 PolarHBondContact NZ-O 2.8Å; T207-V209 PolarHBondContact O-N 2.92Å; T207-V209 WeakPolarHBondContact OG1-CB 3.23Å; T207-V209 VanDerWaalsContact OG1-CG1 3.28Å; T207-V209 WeakPolarHBondContact OG1-CG1 3.36Å; T207-V209 PolarHBondContact OG1-N 2.89Å; V209-I211 HydrophobicContact CG1-CD1 3.92Å; V209-I211 PolarHBondContact O-N 3.02Å; V209-I295 HydrophobicContact CB-CD1 3.88Å; V209-I295 HydrophobicContact CG1-CD1 3.67Å; V209-I295 HydrophobicContact CG2-CD1 4Å
210M98.8Very high98.8Very high126 Ų12635.5 Ų35.562%0.62120%0.2SC*.  trans-72.2119.6167.3-174.7170.8-173.300110.4A212 K214M210-A212 HydrophobicContact CE-CB 3.78Å; M210-A212 HydrophobicContact CG-CB 4.3Å; M210-K214 WeakPolarHBondContact O-CE 3.23Å; M210-K214 WeakPolarHBondContact O-CG 3.43Å; M210-K214 PolarHBondContact O-NZ 3.01Å
211I98.9Very high98.8Very high2 Ų235.6 Ų35.61%0.0120%0.2CC..  trans-78.5-40.7178.1-55.1-63000111.3I200 I203 V209 G213 K214 L232 F235 A237 I271I200-I211 HydrophobicContact CD1-CD1 4.45Å; I200-I211 HydrophobicContact CD1-CG1 4.49Å; I203-I211 HydrophobicContact CG2-CD1 4.06Å; V209-I211 HydrophobicContact CG1-CD1 3.92Å; V209-I211 PolarHBondContact O-N 3.02Å; I211-G213 PolarHBondContact O-N 3.08Å; I211-K214 VanDerWaalsContact O-CB 3.25Å; I211-K214 WeakPolarHBondContact O-CB 3.34Å; I211-K214 WeakPolarHBondContact O-CG 3.31Å; I211-K214 PolarHBondContact O-N 3.22Å; I211-K214 VanDerWaalsContact O-N 3.09Å; I211-L232 HydrophobicContact CG2-CD2 4.19Å; I211-F235 HydrophobicContact CB-CB 3.86Å; I211-F235 HydrophobicContact CG1-CB 4.47Å; I211-F235 HydrophobicContact CG2-CB 3.6Å; I211-A237 HydrophobicContact CG2-CB 3.9Å; I211-I271 HydrophobicContact CD1-CD1 3.62Å
212A98.8Very high98.7Very high38 Ų3834.5 Ų34.531%0.31420%0.201SC..THydrogen-bonded Turntrans-55.6133.917900000111.9M210 K214 F235M210-A212 HydrophobicContact CE-CB 3.78Å; M210-A212 HydrophobicContact CG-CB 4.3Å; A212-K214 PolarHBondContact O-N 2.83Å; A212-F235 VanDerWaalsContact CA-O 3.26Å; A212-F235 WeakPolarHBondContact CA-O 3.39Å; A212-F235 VanDerWaalsContact CB-O 3.32Å; A212-F235 WeakPolarHBondContact CB-O 3.3Å; A212-F235 PolarHBondContact N-O 3.46Å
213G98.3Very high98.7Very high72 Ų7236 Ų3674%0.74221%0.209SC*.THydrogen-bonded Turntrans77.4-1-179.300000115.2I211 G236I211-G213 PolarHBondContact O-N 3.08Å; G213-G236 PolarHBondContact N-O 3.26Å
214K98.9Very high98.7Very high55 Ų5537.3 Ų37.324%0.23922%0.217CC..  trans-81.4155.4172.6-62.1-66.5-173.4-60.50111.2M210 I211 A212 A237 R238 N270 I271M210-K214 WeakPolarHBondContact O-CE 3.23Å; M210-K214 WeakPolarHBondContact O-CG 3.43Å; M210-K214 PolarHBondContact O-NZ 3.01Å; I211-K214 VanDerWaalsContact O-CB 3.25Å; I211-K214 WeakPolarHBondContact O-CB 3.34Å; I211-K214 WeakPolarHBondContact O-CG 3.31Å; I211-K214 PolarHBondContact O-N 3.22Å; I211-K214 VanDerWaalsContact O-N 3.09Å; A212-K214 PolarHBondContact O-N 2.83Å; K214-A237 CarbonylContact O-C 3.59Å; K214-A237 VanDerWaalsContact O-CA 3.29Å; K214-A237 WeakPolarHBondContact O-CA 3.48Å; K214-A237 WeakPolarHBondContact O-CB 3.18Å; K214-R238 PolarHBondContact O-N 3.2Å; K214-N270 HydrophobicContact CB-CB 4.13Å; K214-N270 HydrophobicContact CD-CB 3.68Å; K214-N270 HydrophobicContact CG-CB 4.38Å; K214-I271 HydrophobicContact CB-CD1 4.43Å; K214-I271 HydrophobicContact CG-CD1 4.46Å
215V98.9Very high98.7Very high11 Ų1134.3 Ų34.37%0.06720%0.204CC..EExtended strand (participates in β ladder)trans-90125.4159.9-175.20000107.9R238 I240 E268 N270 I271V215-R238 CarbonylContact C-O 3.54Å; V215-R238 VanDerWaalsContact CA-O 3.31Å; V215-R238 WeakPolarHBondContact CA-O 3.27Å; V215-I240 HydrophobicContact CG1-CD1 3.62Å; V215-I240 HydrophobicContact CG1-CG1 4.07Å; V215-E268 HydrophobicContact CG1-CB 4.26Å; V215-N270 PolarHBondContact N-OD1 2.89Å; V215-N270 WeakPolarHBondContact O-CB 3.32Å; V215-N270 PolarHBondContact O-N 2.88Å; V215-I271 PolarHBondContact O-N 3.37Å
216A98.9Very high98.7Very high0 Ų030.6 Ų30.60%019%0.191CC..EExtended strand (participates in β ladder)trans-117.7125.1175.900000109.9L232 A237 R238 V239 I240 I271A216-L232 HydrophobicContact CB-CB 4.37Å; A216-L232 HydrophobicContact CB-CD1 3.86Å; A216-L232 HydrophobicContact CB-CD2 3.97Å; A216-L232 HydrophobicContact CB-CG 4.3Å; A216-A237 HydrophobicContact CB-CB 4.16Å; A216-R238 PolarHBondContact N-O 3.47Å; A216-V239 CarbonylContact O-C 3.57Å; A216-V239 VanDerWaalsContact O-CA 3.24Å; A216-V239 WeakPolarHBondContact O-CA 3.26Å; A216-I240 PolarHBondContact O-N 2.71Å; A216-I271 CarbonylContact C-O 3.53Å; A216-I271 VanDerWaalsContact CA-O 3.3Å; A216-I271 WeakPolarHBondContact CA-O 3.43Å; A216-I271 HydrophobicContact CB-CB 4.14Å
217V98.9Very high98.7Very high0 Ų030.2 Ų30.20%019%0.188CC..EExtended strand (participates in β ladder)trans-100.8123.6178.4-176.40000108.1I240 T242 M262 A265 I271 F272 V273V217-I240 CarbonylContact C-O 3.56Å; V217-I240 WeakPolarHBondContact CA-O 3.46Å; V217-I240 HydrophobicContact CG2-CB 4.34Å; V217-T242 HydrophobicContact CG1-CG2 4.25Å; V217-M262 HydrophobicContact CG1-CE 3.82Å; V217-M262 HydrophobicContact CG1-SD 4.16Å; V217-A265 HydrophobicContact CG1-CB 3.77Å; V217-A265 HydrophobicContact CG2-CB 3.93Å; V217-I271 PolarHBondContact N-O 2.64Å; V217-F272 HydrophobicContact CB-CD1 3.63Å; V217-F272 HydrophobicContact CB-CE1 3.84Å; V217-F272 HydrophobicContact CB-CG 4.46Å; V217-F272 HydrophobicContact CG1-CD1 4.15Å; V217-F272 HydrophobicContact CG1-CE1 4.34Å; V217-F272 HydrophobicContact CG2-CD1 3.96Å; V217-F272 HydrophobicContact CG2-CE1 3.63Å; V217-F272 HydrophobicContact CG2-CZ 4.33Å; V217-F272 WeakPolarHBondContact O-CA 2.88Å; V217-V273 PolarHBondContact O-N 3.43Å
218V98.9Very high98.7Very high0 Ų028.6 Ų28.60%018%0.178CC..EExtended strand (participates in β ladder)trans-113.3115.6176.3-176.80000108.3C228 L232 V239 I240 I241 T242 V273 T275V218-C228 HydrophobicContact CG1-CB 4.25Å; V218-L232 HydrophobicContact CG2-CD1 3.6Å; V218-V239 HydrophobicContact CG2-CG1 3.98Å; V218-I240 PolarHBondContact N-O 3.26Å; V218-I241 HydrophobicContact CB-CD1 3.82Å; V218-I241 HydrophobicContact CG1-CD1 4.47Å; V218-I241 WeakPolarHBondContact O-CA 3.23Å; V218-T242 PolarHBondContact O-N 2.92Å; V218-T242 VanDerWaalsContact O-N 3.11Å; V218-V273 WeakPolarHBondContact CA-O 3.44Å; V218-T275 HydrophobicContact CG1-CG2 3.85Å
219A98.9Very high98.7Very high0 Ų022.7 Ų22.70%015%0.146CC..EExtended strand (participates in β ladder)trans-89.5118.6177.300000110.3T242 M262 V273 T275 T276 I281A219-T242 VanDerWaalsContact CA-OG1 3.29Å; A219-T242 WeakPolarHBondContact CA-OG1 3.27Å; A219-T242 WeakPolarHBondContact CB-OG1 3.44Å; A219-M262 HydrophobicContact CB-CE 3.83Å; A219-V273 PolarHBondContact N-O 3.07Å; A219-T275 WeakPolarHBondContact O-CA 3.42Å; A219-T275 WeakPolarHBondContact O-CB 3.43Å; A219-T275 PolarHBondContact O-N 2.77Å; A219-T275 PolarHBondContact O-OG1 3.19Å; A219-T276 HydrophobicContact CB-CG2 4.1Å; A219-T276 VanDerWaalsContact O-CG2 3.28Å; A219-T276 WeakPolarHBondContact O-CG2 3.3Å; A219-I281 HydrophobicContact CB-CG2 3.45Å; A219-I281 VanDerWaalsContact CB-CG2 3.45Å
220G98.7Very high98.7Very high6 Ų625.6 Ų25.66%0.06216%0.158CC..  trans92.4140.5-170.500000112.1G225 T242 T275G220-G225 WeakPolarHBondContact O-CA 3.03Å; G220-T242 WeakPolarHBondContact CA-O 3Å; G220-T242 PolarHBondContact N-O 3.42Å; G220-T275 PolarHBondContact O-OG1 2.82Å; G220-T275 VanDerWaalsContact O-OG1 3.09Å
221Y98.8Very high98.8Very high11 Ų1120 Ų204%0.04313%0.131CC..  trans-133.634.7178.9-156-109.9000111.3K226 A229 I241 E243 N248 Q251 A252 Y257Y221-K226 HydrophobicContact CD1-CG 3.81Å; Y221-K226 HydrophobicContact CD2-CG 4.3Å; Y221-K226 HydrophobicContact CE1-CD 4.36Å; Y221-K226 HydrophobicContact CE1-CG 3.56Å; Y221-K226 HydrophobicContact CE2-CG 4.08Å; Y221-K226 HydrophobicContact CG-CG 4.18Å; Y221-K226 PolarHBondContact O-NZ 2.86Å; Y221-A229 HydrophobicContact CD2-CB 4.42Å; Y221-A229 HydrophobicContact CE2-CB 3.76Å; Y221-I241 HydrophobicContact CD2-CD1 3.66Å; Y221-I241 HydrophobicContact CD2-CG1 3.93Å; Y221-I241 HydrophobicContact CD2-CG2 4.02Å; Y221-I241 HydrophobicContact CE2-CD1 3.93Å; Y221-I241 HydrophobicContact CE2-CG1 4.16Å; Y221-I241 HydrophobicContact CG-CG2 4.09Å; Y221-E243 WeakPolarHBondContact CA-OE1 3.45Å; Y221-E243 PolarHBondContact N-OE1 2.89Å; Y221-N248 WeakPolarHBondContact CD1-O 3.46Å; Y221-N248 PolarHBondContact O-OD1 2.96Å; Y221-Q251 HydrophobicContact CD1-CB 4.43Å; Y221-Q251 HydrophobicContact CE1-CB 4.19Å; Y221-A252 HydrophobicContact CD1-CB 3.64Å; Y221-A252 HydrophobicContact CD2-CB 4.18Å; Y221-A252 VanDerWaalsContact CE1-CA 3.49Å; Y221-A252 HydrophobicContact CE1-CB 3.67Å; Y221-A252 HydrophobicContact CE2-CB 4.2Å; Y221-A252 HydrophobicContact CG-CB 3.9Å; Y221-Y257 HydrophobicContact CE2-CD2 4.23Å; Y221-Y257 HydrophobicContact CE2-CE2 4.26Å; Y221-Y257 VanDerWaalsContact OH-CE2 3.27Å; Y221-Y257 WeakPolarHBondContact OH-CE2 3.48Å
222G97.9Very high98.8Very high28 Ų2819.9 Ų19.929%0.28913%0.131SC..SBendtrans-67.3-160.7160.300000111.9V224 G225 K226G222-V224 PolarHBondContact O-N 2.62Å; G222-G225 PolarHBondContact O-N 2.82Å; G222-K226 WeakPolarHBondContact O-CB 3.29Å; G222-K226 VanDerWaalsContact O-CG 3.23Å; G222-K226 WeakPolarHBondContact O-CG 3.22Å; G222-K226 PolarHBondContact O-N 3.25Å
223D98.4Very high98.8Very high31 Ų3124 Ų2417%0.16614%0.138CC..Hα-helixtrans-64.6-42.1-176.7-68.3-30.2000113.1K188 N191 L192 K226 G227K188-D223 WeakPolarHBondContact CD-OD1 3.49Å; K188-D223 WeakPolarHBondContact CE-OD1 3.42Å; K188-D223 IonicContact NZ-OD1 3.61Å; K188-D223 PolarHBondContact NZ-OD1 3.38Å; K188-D223 IonicContact NZ-OD2 3.01Å; K188-D223 PolarHBondContact NZ-OD2 3.33Å; N191-D223 HydrophobicContact CB-CB 3.8Å; N191-D223 CarbonylContact O-C 3.59Å; L192-D223 WeakPolarHBondContact CD1-O 3.31Å; D223-K226 PolarHBondContact O-N 3.4Å; D223-G227 PolarHBondContact O-N 2.81Å; D223-G227 VanDerWaalsContact O-N 3.09Å
224V98.5Very high98.8Very high28 Ų2823.7 Ų23.717%0.1714%0.136CC..Hα-helixtrans-59.8-54.9173.51780000110.5N191 C195 G222 K226 G227 C228 T275 I299N191-V224 HydrophobicContact CB-CG2 4.03Å; N191-V224 VanDerWaalsContact O-CA 3.29Å; N191-V224 WeakPolarHBondContact O-CA 3.45Å; C195-V224 HydrophobicContact CB-CG1 4.27Å; G222-V224 PolarHBondContact O-N 2.62Å; V224-K226 VanDerWaalsContact C-N 3.32Å; V224-K226 PolarHBondContact O-N 3.42Å; V224-G227 PolarHBondContact O-N 2.67Å; V224-G227 VanDerWaalsContact O-N 3.07Å; V224-C228 WeakPolarHBondContact O-CB 3Å; V224-C228 PolarHBondContact O-N 3.33Å; V224-C228 PolarHBondContact O-SG 3.22Å; V224-T275 HydrophobicContact CG1-CG2 3.85Å; V224-I299 HydrophobicContact CG1-CG2 3.7Å
225G98.8Very high98.8Very high0 Ų026.6 Ų26.60%015%0.148CC..Hα-helixtrans-55.8-42.3178.800000113.6G220 G222 C228 A229 T275G220-G225 WeakPolarHBondContact O-CA 3.03Å; G222-G225 PolarHBondContact O-N 2.82Å; G225-C228 PolarHBondContact O-N 2.81Å; G225-A229 VanDerWaalsContact O-CB 3.22Å; G225-A229 WeakPolarHBondContact O-CB 3.09Å; G225-A229 PolarHBondContact O-N 3.01Å; G225-T275 WeakPolarHBondContact CA-OG1 3.02Å
226K98.9Very high98.8Very high38 Ų3828 Ų2817%0.16517%0.165CC..Hα-helixtrans-59.2-46.7174.5-77.1173174.380.70111.7L192 Y221 G222 D223 V224 Q230 N248 Q251L192-K226 HydrophobicContact CD1-CB 3.65Å; Y221-K226 HydrophobicContact CD1-CG 3.81Å; Y221-K226 HydrophobicContact CD2-CG 4.3Å; Y221-K226 HydrophobicContact CE1-CD 4.36Å; Y221-K226 HydrophobicContact CE1-CG 3.56Å; Y221-K226 HydrophobicContact CE2-CG 4.08Å; Y221-K226 HydrophobicContact CG-CG 4.18Å; Y221-K226 PolarHBondContact O-NZ 2.86Å; G222-K226 WeakPolarHBondContact O-CB 3.29Å; G222-K226 VanDerWaalsContact O-CG 3.23Å; G222-K226 WeakPolarHBondContact O-CG 3.22Å; G222-K226 PolarHBondContact O-N 3.25Å; D223-K226 PolarHBondContact O-N 3.4Å; V224-K226 VanDerWaalsContact C-N 3.32Å; V224-K226 PolarHBondContact O-N 3.42Å; K226-Q230 WeakPolarHBondContact O-CB 3.4Å; K226-Q230 PolarHBondContact O-N 3.37Å; K226-N248 PolarHBondContact NZ-OD1 3.3Å; K226-Q251 VanDerWaalsContact CE-OE1 3.22Å
227G98.8Very high98.8Very high0 Ų028.3 Ų28.30%017%0.168CC..Hα-helixtrans-63-48.3178.200000112.1L192 R196 D223 V224 Q230 A231L192-G227 WeakPolarHBondContact O-CA 3.42Å; R196-G227 WeakPolarHBondContact CA-O 3.47Å; R196-G227 WeakPolarHBondContact CB-O 3.24Å; R196-G227 WeakPolarHBondContact CG-O 3.19Å; D223-G227 PolarHBondContact O-N 2.81Å; D223-G227 VanDerWaalsContact O-N 3.09Å; V224-G227 PolarHBondContact O-N 2.67Å; V224-G227 VanDerWaalsContact O-N 3.07Å; G227-Q230 PolarHBondContact O-N 3.28Å; G227-A231 PolarHBondContact O-N 2.91Å
228C98.9Very high98.8Very high0 Ų033.7 Ų33.70%019%0.188CC..Hα-helixtrans-59.1-48.8177.9-66.70000112.5L199 V218 V224 G225 Q230 A231 L232 T275L199-C228 HydrophobicContact CD2-CB 3.47Å; L199-C228 VanDerWaalsContact CD2-CB 3.47Å; V218-C228 HydrophobicContact CG1-CB 4.25Å; V224-C228 WeakPolarHBondContact O-CB 3Å; V224-C228 PolarHBondContact O-N 3.33Å; V224-C228 PolarHBondContact O-SG 3.22Å; G225-C228 PolarHBondContact O-N 2.81Å; C228-Q230 VanDerWaalsContact C-N 3.34Å; C228-Q230 PolarHBondContact O-N 2.83Å; C228-A231 WeakPolarHBondContact O-CB 3.35Å; C228-A231 PolarHBondContact O-N 2.78Å; C228-L232 WeakPolarHBondContact O-CG 3.5Å; C228-L232 PolarHBondContact O-N 2.93Å; C228-T275 HydrophobicContact CB-CG2 4.48Å
229A98.9Very high98.8Very high0 Ų034 Ų340%019%0.19CC..Hα-helixtrans-63.3-39.3179.500000112.2Y221 G225 R233 V239 I241 Y257Y221-A229 HydrophobicContact CD2-CB 4.42Å; Y221-A229 HydrophobicContact CE2-CB 3.76Å; G225-A229 VanDerWaalsContact O-CB 3.22Å; G225-A229 WeakPolarHBondContact O-CB 3.09Å; G225-A229 PolarHBondContact O-N 3.01Å; A229-R233 VanDerWaalsContact O-CB 3.3Å; A229-R233 WeakPolarHBondContact O-CB 3.44Å; A229-R233 PolarHBondContact O-N 3.5Å; A229-R233 VanDerWaalsContact O-N 3.1Å; A229-V239 HydrophobicContact CB-CG1 4Å; A229-I241 HydrophobicContact CB-CD1 3.91Å; A229-Y257 HydrophobicContact CB-CE1 4.25Å; A229-Y257 HydrophobicContact CB-CE2 4.39Å; A229-Y257 PolarHBondContact O-OH 3.24Å
230Q98.9Very high98.8Very high91 Ų9134 Ų3443%0.42519%0.19SC..Hα-helixtrans-64.6-42.3175.5-170.2175.329.400111.4R196 K226 G227 C228 G234R196-Q230 HydrophobicContact CG-CB 4.49Å; K226-Q230 WeakPolarHBondContact O-CB 3.4Å; K226-Q230 PolarHBondContact O-N 3.37Å; G227-Q230 PolarHBondContact O-N 3.28Å; C228-Q230 VanDerWaalsContact C-N 3.34Å; C228-Q230 PolarHBondContact O-N 2.83Å; Q230-G234 PolarHBondContact O-N 3.32Å
231A98.8Very high98.8Very high8 Ų833.8 Ų33.87%0.06619%0.187CC..Hα-helixtrans-62.3-51.4179.200000112.5R196 I200 G227 C228 R233 G234 F235R196-A231 HydrophobicContact CG-CB 4Å; R196-A231 WeakPolarHBondContact O-CB 3.16Å; I200-A231 HydrophobicContact CD1-CB 4.41Å; I200-A231 HydrophobicContact CG1-CB 3.75Å; G227-A231 PolarHBondContact O-N 2.91Å; C228-A231 WeakPolarHBondContact O-CB 3.35Å; C228-A231 PolarHBondContact O-N 2.78Å; A231-R233 PolarHBondContact O-N 3.41Å; A231-G234 PolarHBondContact O-N 3.34Å; A231-G234 VanDerWaalsContact O-N 3.15Å; A231-F235 PolarHBondContact O-N 3.35Å; A231-F235 VanDerWaalsContact O-N 3.15Å
232L98.9Very high98.8Very high0 Ų034 Ų340%019%0.19CC..Hα-helixtrans-60.7-44.1180-72.7160.3000111.4L199 I200 I211 A216 V218 C228 F235 G236 A237 V239 V273L199-L232 HydrophobicContact CD2-CD1 4.05Å; L199-L232 HydrophobicContact CD2-CG 4.24Å; I200-L232 HydrophobicContact CD1-CD2 3.59Å; I200-L232 HydrophobicContact CD1-CG 3.97Å; I211-L232 HydrophobicContact CG2-CD2 4.19Å; A216-L232 HydrophobicContact CB-CB 4.37Å; A216-L232 HydrophobicContact CB-CD1 3.86Å; A216-L232 HydrophobicContact CB-CD2 3.97Å; A216-L232 HydrophobicContact CB-CG 4.3Å; V218-L232 HydrophobicContact CG2-CD1 3.6Å; C228-L232 WeakPolarHBondContact O-CG 3.5Å; C228-L232 PolarHBondContact O-N 2.93Å; L232-F235 PolarHBondContact O-N 3.15Å; L232-G236 PolarHBondContact O-N 3.1Å; L232-A237 HydrophobicContact CB-CB 4.34Å; L232-A237 WeakPolarHBondContact O-CB 3.34Å; L232-A237 PolarHBondContact O-N 3.03Å; L232-A237 VanDerWaalsContact O-N 3.08Å; L232-V239 HydrophobicContact CB-CG2 3.64Å; L232-V273 HydrophobicContact CD1-CG2 4.32Å
233R98.8Very high98.8Very high124 Ų12435 Ų3547%0.46819%0.187SC..Hα-helixtrans-63.3-41174.7-176179.2179.4173.63.9112A229 A231 F235 G236 V239 E255 Y257A229-R233 VanDerWaalsContact O-CB 3.3Å; A229-R233 WeakPolarHBondContact O-CB 3.44Å; A229-R233 PolarHBondContact O-N 3.5Å; A229-R233 VanDerWaalsContact O-N 3.1Å; A231-R233 PolarHBondContact O-N 3.41Å; R233-F235 PolarHBondContact O-N 2.97Å; R233-G236 PolarHBondContact O-N 3.31Å; R233-V239 HydrophobicContact CB-CG2 4.2Å; R233-E255 PolarHBondContact NH1-O 2.89Å; R233-Y257 HydrophobicContact CB-CE1 4.2Å
234G98.8Very high98.8Very high67 Ų6741.5 Ų41.569%0.69122%0.22SC*.Hα-helixtrans-59.5-30177.500000113.4Q230 A231Q230-G234 PolarHBondContact O-N 3.32Å; A231-G234 PolarHBondContact O-N 3.34Å; A231-G234 VanDerWaalsContact O-N 3.15Å
235F98.7Very high98.8Very high115 Ų11543 Ų4350%0.50423%0.227SC..THydrogen-bonded Turntrans-89.26.1173-86.2-93.3000114.3I200 I211 A212 A231 L232 R233I200-F235 HydrophobicContact CG1-CD2 4.31Å; I200-F235 HydrophobicContact CG2-CD2 4.16Å; I200-F235 HydrophobicContact CG2-CE2 3.91Å; I200-F235 HydrophobicContact CG2-CZ 4.12Å; I211-F235 HydrophobicContact CB-CB 3.86Å; I211-F235 HydrophobicContact CG1-CB 4.47Å; I211-F235 HydrophobicContact CG2-CB 3.6Å; A212-F235 VanDerWaalsContact CA-O 3.26Å; A212-F235 WeakPolarHBondContact CA-O 3.39Å; A212-F235 VanDerWaalsContact CB-O 3.32Å; A212-F235 WeakPolarHBondContact CB-O 3.3Å; A212-F235 PolarHBondContact N-O 3.46Å; A231-F235 PolarHBondContact O-N 3.35Å; A231-F235 VanDerWaalsContact O-N 3.15Å; L232-F235 PolarHBondContact O-N 3.15Å; R233-F235 PolarHBondContact O-N 2.97Å
236G98.7Very high98.8Very high41 Ų4147.8 Ų47.842%0.42326%0.258SS..THydrogen-bonded Turntrans86.720.617400000115.7G213 L232 R233G213-G236 PolarHBondContact N-O 3.26Å; L232-G236 PolarHBondContact O-N 3.1Å; R233-G236 PolarHBondContact O-N 3.31Å
237A98.9Very high98.8Very high7 Ų751.5 Ų51.56%0.05828%0.279CS..  trans-79.3147.116800000111.3I211 K214 A216 L232 V239I211-A237 HydrophobicContact CG2-CB 3.9Å; K214-A237 CarbonylContact O-C 3.59Å; K214-A237 VanDerWaalsContact O-CA 3.29Å; K214-A237 WeakPolarHBondContact O-CA 3.48Å; K214-A237 WeakPolarHBondContact O-CB 3.18Å; A216-A237 HydrophobicContact CB-CB 4.16Å; L232-A237 HydrophobicContact CB-CB 4.34Å; L232-A237 WeakPolarHBondContact O-CB 3.34Å; L232-A237 PolarHBondContact O-N 3.03Å; L232-A237 VanDerWaalsContact O-N 3.08Å; A237-V239 HydrophobicContact CB-CG2 4.46Å
238R98.9Very high98.8Very high113 Ų11353 Ų5343%0.42629%0.287SS..EExtended strand (participates in β ladder)trans-79.6115.1161.7177.9170.964.295.9-3.5107.6K214 V215 A216 E258 E268K214-R238 PolarHBondContact O-N 3.2Å; V215-R238 CarbonylContact C-O 3.54Å; V215-R238 VanDerWaalsContact CA-O 3.31Å; V215-R238 WeakPolarHBondContact CA-O 3.27Å; A216-R238 PolarHBondContact N-O 3.47Å; R238-E258 IonicContact NH1-OE2 3.26Å; R238-E258 PolarHBondContact NH1-OE2 3.06Å; R238-E258 VanDerWaalsContact NH1-OE2 3.15Å; R238-E268 IonicContact CZ-OE2 3.26Å; R238-E268 IonicContact NH1-OE2 3.89Å; R238-E268 PolarHBondContact NH1-OE2 3.38Å; R238-E268 VanDerWaalsContact NH1-OE2 3.08Å; R238-E268 IonicContact NH2-OE2 3.06Å; R238-E268 PolarHBondContact NH2-OE2 2.83Å
239V98.9Very high98.8Very high7 Ų754 Ų544%0.04230%0.295CS..EExtended strand (participates in β ladder)trans-98.9130.5-176.3-1800000110.5A216 V218 A229 L232 R233 A237 I241 Y257A216-V239 CarbonylContact O-C 3.57Å; A216-V239 VanDerWaalsContact O-CA 3.24Å; A216-V239 WeakPolarHBondContact O-CA 3.26Å; V218-V239 HydrophobicContact CG2-CG1 3.98Å; A229-V239 HydrophobicContact CB-CG1 4Å; L232-V239 HydrophobicContact CB-CG2 3.64Å; R233-V239 HydrophobicContact CB-CG2 4.2Å; A237-V239 HydrophobicContact CB-CG2 4.46Å; V239-I241 HydrophobicContact CG1-CD1 3.81Å; V239-Y257 HydrophobicContact CB-CD1 3.68Å; V239-Y257 HydrophobicContact CB-CE1 3.66Å; V239-Y257 HydrophobicContact CG1-CD1 3.95Å; V239-Y257 HydrophobicContact CG1-CE1 4.01Å; V239-Y257 HydrophobicContact CG2-CE1 4.23Å
240I98.9Very high98.8Very high0 Ų059.2 Ų59.20%032%0.322CS..EExtended strand (participates in β ladder)trans-110.4138.1171.9-57.1175.8000107.9V215 A216 V217 V218 E258 T260 A265 E268V215-I240 HydrophobicContact CG1-CD1 3.62Å; V215-I240 HydrophobicContact CG1-CG1 4.07Å; A216-I240 PolarHBondContact O-N 2.71Å; V217-I240 CarbonylContact C-O 3.56Å; V217-I240 WeakPolarHBondContact CA-O 3.46Å; V217-I240 HydrophobicContact CG2-CB 4.34Å; V218-I240 PolarHBondContact N-O 3.26Å; I240-E258 HydrophobicContact CG1-CB 4.41Å; I240-E258 HydrophobicContact CG2-CG 4.36Å; I240-T260 HydrophobicContact CG2-CG2 3.67Å; I240-A265 HydrophobicContact CG2-CB 4.1Å; I240-E268 HydrophobicContact CD1-CB 4.25Å
241I98.9Very high98.8Very high0 Ų058.8 Ų58.80%032%0.321CS..EExtended strand (participates in β ladder)trans-110.2144.5179.5-58.6-55000110.2V218 Y221 A229 V239 E243 A252 Y257 E258 V259 T260V218-I241 HydrophobicContact CB-CD1 3.82Å; V218-I241 HydrophobicContact CG1-CD1 4.47Å; V218-I241 WeakPolarHBondContact O-CA 3.23Å; Y221-I241 HydrophobicContact CD2-CD1 3.66Å; Y221-I241 HydrophobicContact CD2-CG1 3.93Å; Y221-I241 HydrophobicContact CD2-CG2 4.02Å; Y221-I241 HydrophobicContact CE2-CD1 3.93Å; Y221-I241 HydrophobicContact CE2-CG1 4.16Å; Y221-I241 HydrophobicContact CG-CG2 4.09Å; A229-I241 HydrophobicContact CB-CD1 3.91Å; V239-I241 HydrophobicContact CG1-CD1 3.81Å; I241-E243 HydrophobicContact CG2-CG 4.26Å; I241-A252 HydrophobicContact CB-CB 4.2Å; I241-A252 HydrophobicContact CG1-CB 4Å; I241-A252 HydrophobicContact CG2-CB 4.04Å; I241-Y257 HydrophobicContact CG1-CG 4.1Å; I241-E258 PolarHBondContact N-O 2.69Å; I241-V259 HydrophobicContact CB-CG2 4.11Å; I241-V259 HydrophobicContact CG2-CG2 4.46Å; I241-V259 VanDerWaalsContact O-CA 3.29Å; I241-V259 WeakPolarHBondContact O-CA 3.39Å; I241-T260 PolarHBondContact O-N 3.12Å
242T98.9Very high98.8Very high17 Ų1758.4 Ų58.410%0.10432%0.317CS..EExtended strand (participates in β ladder)trans-117.6134.816376.80000109.5V217 V218 A219 G220 T260 M262V217-T242 HydrophobicContact CG1-CG2 4.25Å; V218-T242 PolarHBondContact O-N 2.92Å; V218-T242 VanDerWaalsContact O-N 3.11Å; A219-T242 VanDerWaalsContact CA-OG1 3.29Å; A219-T242 WeakPolarHBondContact CA-OG1 3.27Å; A219-T242 WeakPolarHBondContact CB-OG1 3.44Å; G220-T242 WeakPolarHBondContact CA-O 3Å; G220-T242 PolarHBondContact N-O 3.42Å; T242-T260 WeakPolarHBondContact CA-O 3.39Å; T242-T260 WeakPolarHBondContact CB-O 3.5Å; T242-T260 WeakPolarHBondContact CG2-O 3.43Å; T242-M262 HydrophobicContact CG2-CB 4.35Å; T242-M262 HydrophobicContact CG2-CE 4.14Å
243E98.8Very high98.8Very high48 Ų4860.9 Ų60.922%0.22434%0.337CS..  trans-145.6148.5-179.6-104.1-64.517800112.2Y221 I241 D245 N248 A249Y221-E243 WeakPolarHBondContact CA-OE1 3.45Å; Y221-E243 PolarHBondContact N-OE1 2.89Å; I241-E243 HydrophobicContact CG2-CG 4.26Å; E243-D245 PolarHBondContact OE2-N 3.1Å; E243-N248 HydrophobicContact CG-CB 3.98Å; E243-A249 HydrophobicContact CB-CB 3.91Å
244I98.6Very high98.8Very high167 Ų16761.9 Ų61.986%0.85635%0.349SS*.SBendtrans-100.7-25.5171.861169.3000111.4
245D98.5Very high98.8Very high60 Ų6064.3 Ų64.332%0.32134%0.343SS..  trans-88.5119.6179.4-174.1-39.4000110E243 I247 N248 A249E243-D245 PolarHBondContact OE2-N 3.1Å; D245-I247 VanDerWaalsContact C-N 3.25Å; D245-I247 PolarHBondContact O-N 3.34Å; D245-I247 WeakPolarHBondContact OD1-CA 3.37Å; D245-I247 VanDerWaalsContact OD1-CB 3.27Å; D245-I247 WeakPolarHBondContact OD1-CB 3.45Å; D245-I247 PolarHBondContact OD1-N 3.46Å; D245-N248 HydrophobicContact CB-CB 4.22Å; D245-N248 PolarHBondContact O-N 3.16Å; D245-N248 PolarHBondContact OD1-N 3.45Å; D245-A249 WeakPolarHBondContact O-CB 3.35Å; D245-A249 PolarHBondContact O-N 3.37Å
246P98.4Very high98.8Very high100 Ų10061.6 Ų61.665%0.64935%0.347SS*.Hα-helixtrans-64.8-25.7-178.327.1-35000113.7L250P246-L250 VanDerWaalsContact O-CB 3.25Å; P246-L250 WeakPolarHBondContact O-CB 3.45Å; P246-L250 PolarHBondContact O-N 3.24Å
247I98.8Very high98.8Very high116 Ų11660.7 Ų60.760%0.59533%0.331SS*.Hα-helixtrans-70.3-48.7176-58.6174.9000109.5D245 L250 Q251D245-I247 VanDerWaalsContact C-N 3.25Å; D245-I247 PolarHBondContact O-N 3.34Å; D245-I247 WeakPolarHBondContact OD1-CA 3.37Å; D245-I247 VanDerWaalsContact OD1-CB 3.27Å; D245-I247 WeakPolarHBondContact OD1-CB 3.45Å; D245-I247 PolarHBondContact OD1-N 3.46Å; I247-L250 PolarHBondContact O-N 3.42Å; I247-Q251 WeakPolarHBondContact O-CG 3.44Å; I247-Q251 PolarHBondContact O-N 3.12Å
248N98.8Very high98.8Very high32 Ų3264.5 Ų64.517%0.17135%0.348CS..Hα-helixtrans-66.8-39.9178.1-69.7-52.3000111.5Y221 K226 E243 D245 L250 Q251 A252Y221-N248 WeakPolarHBondContact CD1-O 3.46Å; Y221-N248 PolarHBondContact O-OD1 2.96Å; K226-N248 PolarHBondContact NZ-OD1 3.3Å; E243-N248 HydrophobicContact CG-CB 3.98Å; D245-N248 HydrophobicContact CB-CB 4.22Å; D245-N248 PolarHBondContact O-N 3.16Å; D245-N248 PolarHBondContact OD1-N 3.45Å; N248-L250 PolarHBondContact O-N 3.19Å; N248-Q251 WeakPolarHBondContact O-CB 3.47Å; N248-Q251 PolarHBondContact O-N 3.32Å; N248-Q251 PolarHBondContact OD1-OE1 3.46Å; N248-A252 PolarHBondContact O-N 3.33Å
249A98.8Very high98.8Very high21 Ų2161.6 Ų61.617%0.17434%0.342CS..Hα-helixtrans-59-45.7173.300000111.8E243 D245 Q251 A252 A253 V259E243-A249 HydrophobicContact CB-CB 3.91Å; D245-A249 WeakPolarHBondContact O-CB 3.35Å; D245-A249 PolarHBondContact O-N 3.37Å; A249-Q251 VanDerWaalsContact C-N 3.34Å; A249-Q251 PolarHBondContact O-N 2.98Å; A249-A252 PolarHBondContact O-N 3.22Å; A249-A253 PolarHBondContact O-N 2.83Å; A249-V259 HydrophobicContact CB-CG1 4.08Å
250L98.8Very high98.8Very high109 Ų10963.2 Ų63.257%0.57135%0.353SS*.Hα-helixtrans-63.6-40.3176.4-178.160.9000111.4P246 I247 N248 A252 A253 M254P246-L250 VanDerWaalsContact O-CB 3.25Å; P246-L250 WeakPolarHBondContact O-CB 3.45Å; P246-L250 PolarHBondContact O-N 3.24Å; I247-L250 PolarHBondContact O-N 3.42Å; N248-L250 PolarHBondContact O-N 3.19Å; L250-A252 PolarHBondContact O-N 3.11Å; L250-A253 PolarHBondContact O-N 2.79Å; L250-M254 HydrophobicContact CD1-CG 4.11Å; L250-M254 HydrophobicContact CD1-SD 4.49Å; L250-M254 HydrophobicContact CG-CG 4.3Å; L250-M254 WeakPolarHBondContact O-CB 3.47Å; L250-M254 WeakPolarHBondContact O-CG 3.46Å; L250-M254 PolarHBondContact O-N 2.91Å
251Q98.9Very high98.8Very high83 Ų8366.7 Ų66.739%0.38837%0.374SS..Hα-helixtrans-58-48.1173.3-72.6178.4-39.900111.5Y221 K226 I247 N248 A249 A253 M254 E255Y221-Q251 HydrophobicContact CD1-CB 4.43Å; Y221-Q251 HydrophobicContact CE1-CB 4.19Å; K226-Q251 VanDerWaalsContact CE-OE1 3.22Å; I247-Q251 WeakPolarHBondContact O-CG 3.44Å; I247-Q251 PolarHBondContact O-N 3.12Å; N248-Q251 WeakPolarHBondContact O-CB 3.47Å; N248-Q251 PolarHBondContact O-N 3.32Å; N248-Q251 PolarHBondContact OD1-OE1 3.46Å; A249-Q251 VanDerWaalsContact C-N 3.34Å; A249-Q251 PolarHBondContact O-N 2.98Å; Q251-A253 PolarHBondContact O-N 2.56Å; Q251-M254 PolarHBondContact O-N 3.34Å; Q251-E255 WeakPolarHBondContact O-CG 3.47Å; Q251-E255 PolarHBondContact O-N 3.27Å
252A98.9Very high98.8Very high0 Ų067.6 Ų67.60%038%0.378CS..Hα-helixtrans-58.7-45.4177.500000112.3Y221 I241 N248 A249 L250 M254 E255 G256 Y257 V259Y221-A252 HydrophobicContact CD1-CB 3.64Å; Y221-A252 HydrophobicContact CD2-CB 4.18Å; Y221-A252 VanDerWaalsContact CE1-CA 3.49Å; Y221-A252 HydrophobicContact CE1-CB 3.67Å; Y221-A252 HydrophobicContact CE2-CB 4.2Å; Y221-A252 HydrophobicContact CG-CB 3.9Å; I241-A252 HydrophobicContact CB-CB 4.2Å; I241-A252 HydrophobicContact CG1-CB 4Å; I241-A252 HydrophobicContact CG2-CB 4.04Å; N248-A252 PolarHBondContact O-N 3.33Å; A249-A252 PolarHBondContact O-N 3.22Å; L250-A252 PolarHBondContact O-N 3.11Å; A252-M254 VanDerWaalsContact C-N 3.34Å; A252-M254 PolarHBondContact O-N 2.85Å; A252-E255 PolarHBondContact O-N 3.23Å; A252-G256 PolarHBondContact O-N 2.83Å; A252-Y257 WeakPolarHBondContact O-CB 3.42Å; A252-Y257 WeakPolarHBondContact O-CD2 3.37Å; A252-Y257 PolarHBondContact O-N 3.08Å; A252-V259 HydrophobicContact CB-CG2 3.62Å
253A98.8Very high98.8Very high51 Ų5170.3 Ų70.342%0.42139%0.392SS..Hα-helixtrans-62-41.9177.500000112A249 L250 Q251 E255 G256 V259A249-A253 PolarHBondContact O-N 2.83Å; L250-A253 PolarHBondContact O-N 2.79Å; Q251-A253 PolarHBondContact O-N 2.56Å; A253-E255 VanDerWaalsContact C-N 3.27Å; A253-E255 PolarHBondContact O-N 2.73Å; A253-G256 WeakPolarHBondContact O-CA 3.45Å; A253-G256 PolarHBondContact O-N 3.42Å; A253-V259 HydrophobicContact CB-CG2 4.46Å
254M98.8Very high98.8Very high146 Ų14673.3 Ų73.372%0.71941%0.406SS*.Hα-helixtrans-67.5-25.8178.2-68.5-59.6-62.600113.1L250 Q251 A252L250-M254 HydrophobicContact CD1-CG 4.11Å; L250-M254 HydrophobicContact CD1-SD 4.49Å; L250-M254 HydrophobicContact CG-CG 4.3Å; L250-M254 WeakPolarHBondContact O-CB 3.47Å; L250-M254 WeakPolarHBondContact O-CG 3.46Å; L250-M254 PolarHBondContact O-N 2.91Å; Q251-M254 PolarHBondContact O-N 3.34Å; A252-M254 VanDerWaalsContact C-N 3.34Å; A252-M254 PolarHBondContact O-N 2.85Å
255E98.8Very high98.8Very high118 Ų11865.3 Ų65.355%0.55137%0.365SS*.THydrogen-bonded Turntrans-80.5-3.4170.7-66.1-61.8152.400112.8R233 Q251 A252 A253 Y257R233-E255 PolarHBondContact NH1-O 2.89Å; Q251-E255 WeakPolarHBondContact O-CG 3.47Å; Q251-E255 PolarHBondContact O-N 3.27Å; A252-E255 PolarHBondContact O-N 3.23Å; A253-E255 VanDerWaalsContact C-N 3.27Å; A253-E255 PolarHBondContact O-N 2.73Å; E255-Y257 HydrophobicContact CB-CD2 3.74Å; E255-Y257 HydrophobicContact CB-CE2 3.7Å
256G98.8Very high98.8Very high58 Ų5862.5 Ų62.560%0.59835%0.35SS*.THydrogen-bonded Turntrans86.620.8177.300000114.6A252 A253A252-G256 PolarHBondContact O-N 2.83Å; A253-G256 WeakPolarHBondContact O-CA 3.45Å; A253-G256 PolarHBondContact O-N 3.42Å
257Y98.9Very high98.8Very high21 Ų2162.2 Ų62.28%0.08234%0.34CS..  trans-86.6141.8170.8-60.7-71.1000110.9Y221 A229 R233 V239 I241 A252 E255Y221-Y257 HydrophobicContact CE2-CD2 4.23Å; Y221-Y257 HydrophobicContact CE2-CE2 4.26Å; Y221-Y257 VanDerWaalsContact OH-CE2 3.27Å; Y221-Y257 WeakPolarHBondContact OH-CE2 3.48Å; A229-Y257 HydrophobicContact CB-CE1 4.25Å; A229-Y257 HydrophobicContact CB-CE2 4.39Å; A229-Y257 PolarHBondContact O-OH 3.24Å; R233-Y257 HydrophobicContact CB-CE1 4.2Å; V239-Y257 HydrophobicContact CB-CD1 3.68Å; V239-Y257 HydrophobicContact CB-CE1 3.66Å; V239-Y257 HydrophobicContact CG1-CD1 3.95Å; V239-Y257 HydrophobicContact CG1-CE1 4.01Å; V239-Y257 HydrophobicContact CG2-CE1 4.23Å; I241-Y257 HydrophobicContact CG1-CG 4.1Å; A252-Y257 WeakPolarHBondContact O-CB 3.42Å; A252-Y257 WeakPolarHBondContact O-CD2 3.37Å; A252-Y257 PolarHBondContact O-N 3.08Å; E255-Y257 HydrophobicContact CB-CD2 3.74Å; E255-Y257 HydrophobicContact CB-CE2 3.7Å
258E98.9Very high98.8Very high87 Ų8759.5 Ų59.541%0.40733%0.325SS..EExtended strand (participates in β ladder)trans-67.4134.4164.6179.2174.2-172.500109.1R238 I240 I241R238-E258 IonicContact NH1-OE2 3.26Å; R238-E258 PolarHBondContact NH1-OE2 3.06Å; R238-E258 VanDerWaalsContact NH1-OE2 3.15Å; I240-E258 HydrophobicContact CG1-CB 4.41Å; I240-E258 HydrophobicContact CG2-CG 4.36Å; I241-E258 PolarHBondContact N-O 2.69Å
259V98.9Very high98.8Very high52 Ų5258 Ų5832%0.31532%0.317SS..EExtended strand (participates in β ladder)trans-121.9117.1177.4-178.20000108.4I241 A249 A252 A253I241-V259 HydrophobicContact CB-CG2 4.11Å; I241-V259 HydrophobicContact CG2-CG2 4.46Å; I241-V259 VanDerWaalsContact O-CA 3.29Å; I241-V259 WeakPolarHBondContact O-CA 3.39Å; A249-V259 HydrophobicContact CB-CG1 4.08Å; A252-V259 HydrophobicContact CB-CG2 3.62Å; A253-V259 HydrophobicContact CB-CG2 4.46Å
260T98.9Very high98.9Very high42 Ų4258.8 Ų58.826%0.25832%0.318SS..  trans-146.9-174.4-180-169.70000110.7I240 I241 T242 E264 A265I240-T260 HydrophobicContact CG2-CG2 3.67Å; I241-T260 PolarHBondContact O-N 3.12Å; T242-T260 WeakPolarHBondContact CA-O 3.39Å; T242-T260 WeakPolarHBondContact CB-O 3.5Å; T242-T260 WeakPolarHBondContact CG2-O 3.43Å; T260-E264 HydrophobicContact CG2-CB 4.27Å; T260-A265 HydrophobicContact CG2-CB 4.09Å
261T98.9Very high98.9Very high73 Ų7353.7 Ų53.745%0.44829%0.291SS..  trans-84.4159.4177.266.40000111.6D263 E264 A265T261-D263 VanDerWaalsContact C-N 3.25Å; T261-D263 PolarHBondContact O-N 3.32Å; T261-E264 PolarHBondContact O-N 2.81Å; T261-E264 WeakPolarHBondContact OG1-CG 3.4Å; T261-E264 PolarHBondContact OG1-N 3.47Å; T261-A265 WeakPolarHBondContact O-CB 3.47Å; T261-A265 PolarHBondContact O-N 3.14Å
262M98.9Very high98.9Very high18 Ų1849.7 Ų49.79%0.08927%0.273CS..Hα-helixtrans-65.3-31.2173.4-173.858.668.900112V217 A219 T242 E264 A265 C266 F272 I281 I282V217-M262 HydrophobicContact CG1-CE 3.82Å; V217-M262 HydrophobicContact CG1-SD 4.16Å; A219-M262 HydrophobicContact CB-CE 3.83Å; T242-M262 HydrophobicContact CG2-CB 4.35Å; T242-M262 HydrophobicContact CG2-CE 4.14Å; M262-E264 VanDerWaalsContact C-N 3.26Å; M262-E264 PolarHBondContact O-N 3Å; M262-A265 PolarHBondContact O-N 2.89Å; M262-C266 WeakPolarHBondContact O-CB 3.31Å; M262-C266 PolarHBondContact O-N 3.09Å; M262-C266 PolarHBondContact O-SG 2.95Å; M262-F272 HydrophobicContact SD-CD1 4.08Å; M262-F272 HydrophobicContact SD-CE1 4.15Å; M262-I281 HydrophobicContact CE-CG2 4.36Å; M262-I282 HydrophobicContact CE-CG1 4.33Å
263D98.9Very high98.9Very high75 Ų7549.8 Ų49.840%0.40127%0.273SS..Hα-helixtrans-60.4-36.5176.5-65.1-44.3000111.5T261 C266 Q267 R285 H286T261-D263 VanDerWaalsContact C-N 3.25Å; T261-D263 PolarHBondContact O-N 3.32Å; D263-C266 PolarHBondContact O-SG 3.24Å; D263-Q267 PolarHBondContact O-NE2 2.56Å; D263-R285 IonicContact OD1-CZ 3.39Å; D263-R285 IonicContact OD1-NE 3.2Å; D263-R285 PolarHBondContact OD1-NE 2.72Å; D263-R285 IonicContact OD1-NH2 2.73Å; D263-H286 IonicContact OD1-CD2 3.91Å; D263-H286 IonicContact OD1-NE2 3.77Å; D263-H286 PolarHBondContact OD1-NE2 3.34Å
264E98.9Very high98.9Very high110 Ų11047.3 Ų47.351%0.51425%0.253SS..Hα-helixtrans-78.5-52172.5-63.3-64.1156.100111.2T260 T261 M262 C266 Q267T260-E264 HydrophobicContact CG2-CB 4.27Å; T261-E264 PolarHBondContact O-N 2.81Å; T261-E264 WeakPolarHBondContact OG1-CG 3.4Å; T261-E264 PolarHBondContact OG1-N 3.47Å; M262-E264 VanDerWaalsContact C-N 3.26Å; M262-E264 PolarHBondContact O-N 3Å; E264-C266 VanDerWaalsContact C-N 3.25Å; E264-C266 PolarHBondContact O-N 2.92Å; E264-Q267 PolarHBondContact O-N 2.98Å
265A98.9Very high98.9Very high0 Ų041.1 Ų41.10%022%0.223CC..Hα-helixtrans-64.9-25.2-172.100000113.9V217 I240 T260 T261 M262 Q267 E268 G269V217-A265 HydrophobicContact CG1-CB 3.77Å; V217-A265 HydrophobicContact CG2-CB 3.93Å; I240-A265 HydrophobicContact CG2-CB 4.1Å; T260-A265 HydrophobicContact CG2-CB 4.09Å; T261-A265 WeakPolarHBondContact O-CB 3.47Å; T261-A265 PolarHBondContact O-N 3.14Å; M262-A265 PolarHBondContact O-N 2.89Å; A265-Q267 PolarHBondContact O-N 2.77Å; A265-E268 PolarHBondContact O-N 3.29Å; A265-G269 PolarHBondContact O-N 2.91Å; A265-G269 VanDerWaalsContact O-N 3.12Å
266C98.8Very high98.8Very high0 Ų037.9 Ų37.90%021%0.212CC..THydrogen-bonded Turntrans-60.8-25.7179.771.50000113.6M262 D263 E264 E268 H286 M290M262-C266 WeakPolarHBondContact O-CB 3.31Å; M262-C266 PolarHBondContact O-N 3.09Å; M262-C266 PolarHBondContact O-SG 2.95Å; D263-C266 PolarHBondContact O-SG 3.24Å; E264-C266 VanDerWaalsContact C-N 3.25Å; E264-C266 PolarHBondContact O-N 2.92Å; C266-E268 VanDerWaalsContact C-N 3.33Å; C266-H286 HydrophobicContact CB-CB 3.81Å; C266-M290 WeakPolarHBondContact O-CA 3.32Å
267Q98.8Very high98.7Very high95 Ų9537.4 Ų37.444%0.44421%0.207SC..THydrogen-bonded Turntrans-77.7-21178.6-61170.859.200112.4D263 E264 A265 Q289D263-Q267 PolarHBondContact O-NE2 2.56Å; E264-Q267 PolarHBondContact O-N 2.98Å; A265-Q267 PolarHBondContact O-N 2.77Å; Q267-Q289 HydrophobicContact CG-CB 4.1Å
268E98.8Very high98.5Very high59 Ų5939.4 Ų39.428%0.27622%0.223SC..THydrogen-bonded Turntrans-104.3-35.3-172.5-69.6-169.4-121.100114.2V215 R238 I240 A265 C266 K291V215-E268 HydrophobicContact CG1-CB 4.26Å; R238-E268 IonicContact CZ-OE2 3.26Å; R238-E268 IonicContact NH1-OE2 3.89Å; R238-E268 PolarHBondContact NH1-OE2 3.38Å; R238-E268 VanDerWaalsContact NH1-OE2 3.08Å; R238-E268 IonicContact NH2-OE2 3.06Å; R238-E268 PolarHBondContact NH2-OE2 2.83Å; I240-E268 HydrophobicContact CD1-CB 4.25Å; A265-E268 PolarHBondContact O-N 3.29Å; C266-E268 VanDerWaalsContact C-N 3.33Å; E268-K291 WeakPolarHBondContact O-CD 3.41Å; E268-K291 VanDerWaalsContact O-CE 3.25Å; E268-K291 WeakPolarHBondContact O-CE 3.47Å; E268-K291 PolarHBondContact O-NZ 3.34Å
269G98.8Very high98.4Very high0 Ų039.1 Ų39.10%023%0.227CC..  trans-62.7140.4-170.400000113.6A265 F272A265-G269 PolarHBondContact O-N 2.91Å; A265-G269 VanDerWaalsContact O-N 3.12Å; G269-F272 WeakPolarHBondContact O-CE2 3.49Å
270N98.9Very high98.4Very high38 Ų3841.4 Ų41.420%0.20324%0.237CC..SBendtrans-100.7-28164.2-58.5111.9000111.7K214 V215 A294 I295K214-N270 HydrophobicContact CB-CB 4.13Å; K214-N270 HydrophobicContact CD-CB 3.68Å; K214-N270 HydrophobicContact CG-CB 4.38Å; V215-N270 PolarHBondContact N-OD1 2.89Å; V215-N270 WeakPolarHBondContact O-CB 3.32Å; V215-N270 PolarHBondContact O-N 2.88Å; N270-A294 WeakPolarHBondContact O-CA 3.3Å; N270-I295 PolarHBondContact O-N 3.02Å
271I98.9Very high98.4Very high1 Ų140.8 Ų40.81%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-129.4133.4177.8-58.2174.5000106.7I203 I211 K214 V215 A216 V217 V273 I295I203-I271 HydrophobicContact CD1-CG2 4.06Å; I211-I271 HydrophobicContact CD1-CD1 3.62Å; K214-I271 HydrophobicContact CB-CD1 4.43Å; K214-I271 HydrophobicContact CG-CD1 4.46Å; V215-I271 PolarHBondContact O-N 3.37Å; A216-I271 CarbonylContact C-O 3.53Å; A216-I271 VanDerWaalsContact CA-O 3.3Å; A216-I271 WeakPolarHBondContact CA-O 3.43Å; A216-I271 HydrophobicContact CB-CB 4.14Å; V217-I271 PolarHBondContact N-O 2.64Å; I271-V273 HydrophobicContact CG2-CG2 4.08Å; I271-I295 CarbonylContact C-O 3.58Å; I271-I295 VanDerWaalsContact CA-O 3.32Å; I271-I295 WeakPolarHBondContact CA-O 3.38Å; I271-I295 HydrophobicContact CG1-CB 4.45Å
272F98.9Very high98.4Very high0 Ų037.3 Ų37.30%021%0.211CC..EExtended strand (participates in β ladder)trans-124.6126.1177.7-65.1-93.6000109V217 M262 G269 I282 M290 A294 I295 V296 C297V217-F272 HydrophobicContact CB-CD1 3.63Å; V217-F272 HydrophobicContact CB-CE1 3.84Å; V217-F272 HydrophobicContact CB-CG 4.46Å; V217-F272 HydrophobicContact CG1-CD1 4.15Å; V217-F272 HydrophobicContact CG1-CE1 4.34Å; V217-F272 HydrophobicContact CG2-CD1 3.96Å; V217-F272 HydrophobicContact CG2-CE1 3.63Å; V217-F272 HydrophobicContact CG2-CZ 4.33Å; V217-F272 WeakPolarHBondContact O-CA 2.88Å; M262-F272 HydrophobicContact SD-CD1 4.08Å; M262-F272 HydrophobicContact SD-CE1 4.15Å; G269-F272 WeakPolarHBondContact O-CE2 3.49Å; F272-I282 HydrophobicContact CB-CD1 3.78Å; F272-I282 HydrophobicContact CG-CD1 4.45Å; F272-M290 HydrophobicContact CD1-CE 3.95Å; F272-M290 HydrophobicContact CD2-CE 3.73Å; F272-M290 HydrophobicContact CD2-SD 3.94Å; F272-M290 HydrophobicContact CE1-CE 4.02Å; F272-M290 HydrophobicContact CE2-CE 3.78Å; F272-M290 HydrophobicContact CE2-CG 3.76Å; F272-M290 HydrophobicContact CE2-SD 3.75Å; F272-M290 HydrophobicContact CG-CE 3.82Å; F272-M290 HydrophobicContact CZ-CE 3.92Å; F272-M290 HydrophobicContact CZ-CG 3.89Å; F272-M290 HydrophobicContact CZ-SD 4.29Å; F272-A294 HydrophobicContact CD2-CB 4.27Å; F272-A294 HydrophobicContact CE2-CB 3.97Å; F272-I295 PolarHBondContact N-O 3.3Å; F272-V296 HydrophobicContact CB-CG1 4.25Å; F272-V296 HydrophobicContact CB-CG2 4.26Å; F272-V296 HydrophobicContact CD2-CG2 4.14Å; F272-C297 PolarHBondContact O-N 2.69Å
273V98.9Very high98.4Very high1 Ų137.5 Ų37.51%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-126.3119.5-179.9-170.90000109.2L199 I203 V217 V218 A219 L232 I271 T275 C297 I299L199-V273 HydrophobicContact CD1-CG1 3.69Å; L199-V273 HydrophobicContact CD1-CG2 4.14Å; L199-V273 HydrophobicContact CD2-CG1 4.14Å; L199-V273 HydrophobicContact CD2-CG2 4.17Å; I203-V273 HydrophobicContact CD1-CG2 4.46Å; V217-V273 PolarHBondContact O-N 3.43Å; V218-V273 WeakPolarHBondContact CA-O 3.44Å; A219-V273 PolarHBondContact N-O 3.07Å; L232-V273 HydrophobicContact CD1-CG2 4.32Å; I271-V273 HydrophobicContact CG2-CG2 4.08Å; V273-T275 HydrophobicContact CG1-CG2 4.04Å; V273-C297 WeakPolarHBondContact CA-O 3.37Å; V273-I299 HydrophobicContact CG1-CG2 3.8Å
274T98.9Very high98.4Very high0 Ų034.2 Ų34.20%020%0.196CC..EExtended strand (participates in β ladder)trans-94.7131.7176.162.50000110.9I281 I282 C297 N298 I299 G300 E305 I306T274-I281 HydrophobicContact CG2-CB 4.18Å; T274-I281 HydrophobicContact CG2-CG2 3.88Å; T274-I282 HydrophobicContact CG2-CD1 3.54Å; T274-I282 HydrophobicContact CG2-CG1 3.78Å; T274-C297 PolarHBondContact N-O 2.98Å; T274-C297 VanDerWaalsContact N-O 3.08Å; T274-N298 PolarHBondContact O-OD1 3.22Å; T274-N298 VanDerWaalsContact OG1-CA 3.3Å; T274-N298 WeakPolarHBondContact OG1-CA 3.24Å; T274-N298 VanDerWaalsContact OG1-CB 3.31Å; T274-N298 WeakPolarHBondContact OG1-CB 3.4Å; T274-N298 PolarHBondContact OG1-OD1 3Å; T274-I299 PolarHBondContact O-N 3.35Å; T274-G300 PolarHBondContact O-N 3.09Å; T274-E305 WeakPolarHBondContact CB-OE2 3.46Å; T274-E305 HydrophobicContact CG2-CB 4.2Å; T274-E305 WeakPolarHBondContact OG1-CB 3.5Å; T274-I306 HydrophobicContact CG2-CD1 4.5Å; T274-I306 HydrophobicContact CG2-CG1 4.01Å
275T98.7Very high98.4Very high15 Ų1534.8 Ų34.89%0.09219%0.193CC..  trans-137.519.8-172.173.10000113.1V218 A219 G220 V224 G225 C228 V273 I299 E305V218-T275 HydrophobicContact CG1-CG2 3.85Å; A219-T275 WeakPolarHBondContact O-CA 3.42Å; A219-T275 WeakPolarHBondContact O-CB 3.43Å; A219-T275 PolarHBondContact O-N 2.77Å; A219-T275 PolarHBondContact O-OG1 3.19Å; G220-T275 PolarHBondContact O-OG1 2.82Å; G220-T275 VanDerWaalsContact O-OG1 3.09Å; V224-T275 HydrophobicContact CG1-CG2 3.85Å; G225-T275 WeakPolarHBondContact CA-OG1 3.02Å; C228-T275 HydrophobicContact CB-CG2 4.48Å; V273-T275 HydrophobicContact CG1-CG2 4.04Å; T275-I299 HydrophobicContact CG2-CG2 3.67Å; T275-E305 PolarHBondContact N-OE2 3.47Å
276T98.1Very high98.4Very high51 Ų5134.9 Ų34.931%0.31319%0.194SC..SBendtrans-92.5-26-162.168.50000114A219 C278 I281 E305A219-T276 HydrophobicContact CB-CG2 4.1Å; A219-T276 VanDerWaalsContact O-CG2 3.28Å; A219-T276 WeakPolarHBondContact O-CG2 3.3Å; T276-C278 PolarHBondContact O-N 3.12Å; T276-C278 WeakPolarHBondContact OG1-CB 3.31Å; T276-C278 PolarHBondContact OG1-N 3.21Å; T276-C278 PolarHBondContact OG1-O 3.07Å; T276-I281 HydrophobicContact CG2-CD1 3.98Å; T276-I281 HydrophobicContact CG2-CG1 4.13Å; T276-I281 WeakPolarHBondContact OG1-CG1 3.48Å; T276-E305 WeakPolarHBondContact CB-OE2 3.49Å; T276-E305 PolarHBondContact N-OE1 3.18Å; T276-E305 VanDerWaalsContact N-OE1 3.15Å; T276-E305 PolarHBondContact N-OE2 3.21Å; T276-E305 VanDerWaalsContact OG1-CD 3.25Å; T276-E305 PolarHBondContact OG1-OE2 2.86Å
277G94.9Very high98.4Very high47 Ų4734.9 Ų34.949%0.48519%0.194SC..SBendtrans65.118.4-164.900000113.3E305G277-E305 WeakPolarHBondContact CA-OE1 3.23Å; G277-E305 PolarHBondContact N-OE1 2.65Å
278C96.5Very high98.4Very high64 Ų6435.3 Ų35.343%0.43220%0.196SC..  trans-122.2151.3-176-169.70000111.1T276 I281 E305T276-C278 PolarHBondContact O-N 3.12Å; T276-C278 WeakPolarHBondContact OG1-CB 3.31Å; T276-C278 PolarHBondContact OG1-N 3.21Å; T276-C278 PolarHBondContact OG1-O 3.07Å; C278-I281 HydrophobicContact CB-CD1 4.16Å; C278-I281 WeakPolarHBondContact O-CG1 3.22Å; C278-E305 WeakPolarHBondContact O-CA 3.46Å; C278-E305 VanDerWaalsContact O-CG 3.29Å; C278-E305 WeakPolarHBondContact O-CG 3.33Å
279V96.9Very high98.4Very high80 Ų8036.3 Ų36.349%0.48520%0.2SC..SBendtrans-78158.3179.451.90000111.5V304V279-V304 WeakPolarHBondContact CA-O 3.27Å; V279-V304 HydrophobicContact CB-CB 4.43Å; V279-V304 HydrophobicContact CB-CG2 4.48Å
280D98.2Very high98.4Very high100 Ų10036.3 Ų36.354%0.53520%0.201SC..  trans65.538.3168.8-63.5-32.2000116L283 V304D280-L283 HydrophobicContact CB-CD1 4.22Å; D280-L283 HydrophobicContact CB-CD2 4.02Å; D280-V304 PolarHBondContact N-O 3.2Å
281I98.8Very high98.4Very high29 Ų2938.3 Ų38.315%0.14921%0.207CC..SBendtrans-82.8-50-179.5-51.1-55.9000111.6A219 M262 T274 T276 C278 H286 E305A219-I281 HydrophobicContact CB-CG2 3.45Å; A219-I281 VanDerWaalsContact CB-CG2 3.45Å; M262-I281 HydrophobicContact CE-CG2 4.36Å; T274-I281 HydrophobicContact CG2-CB 4.18Å; T274-I281 HydrophobicContact CG2-CG2 3.88Å; T276-I281 HydrophobicContact CG2-CD1 3.98Å; T276-I281 HydrophobicContact CG2-CG1 4.13Å; T276-I281 WeakPolarHBondContact OG1-CG1 3.48Å; C278-I281 HydrophobicContact CB-CD1 4.16Å; C278-I281 WeakPolarHBondContact O-CG1 3.22Å; I281-H286 PolarHBondContact O-CE1 3Å; I281-H286 VanDerWaalsContact O-CE1 3.23Å; I281-H286 PolarHBondContact O-ND1 3.18Å; I281-E305 WeakPolarHBondContact CA-O 3.45Å; I281-E305 HydrophobicContact CB-CB 4.31Å; I281-E305 VanDerWaalsContact CB-O 3.26Å; I281-E305 WeakPolarHBondContact CB-O 3.14Å; I281-E305 HydrophobicContact CG1-CB 3.97Å; I281-E305 PolarHBondContact N-O 3.27Å
282I98.9Very high98.4Very high0 Ų041.6 Ų41.60%023%0.225CC..BIsolated β-bridgetrans-114.6117176.8-58.3-178.9000109.5M262 F272 T274 H286 F287 M290 V296 E305 I306 D307M262-I282 HydrophobicContact CE-CG1 4.33Å; F272-I282 HydrophobicContact CB-CD1 3.78Å; F272-I282 HydrophobicContact CG-CD1 4.45Å; T274-I282 HydrophobicContact CG2-CD1 3.54Å; T274-I282 HydrophobicContact CG2-CG1 3.78Å; I282-H286 HydrophobicContact CG2-CB 4.36Å; I282-F287 HydrophobicContact CG2-CD1 4.21Å; I282-F287 HydrophobicContact CG2-CE1 3.69Å; I282-F287 HydrophobicContact CG2-CE2 4.05Å; I282-F287 HydrophobicContact CG2-CZ 3.6Å; I282-M290 HydrophobicContact CG2-CE 3.7Å; I282-V296 HydrophobicContact CD1-CG1 3.63Å; I282-V296 HydrophobicContact CG2-CG1 4.42Å; I282-E305 PolarHBondContact N-O 2.89Å; I282-I306 HydrophobicContact CB-CG1 4.36Å; I282-I306 HydrophobicContact CB-CG2 4.36Å; I282-I306 HydrophobicContact CD1-CG1 4.45Å; I282-D307 PolarHBondContact O-N 3.15Å
283L98.9Very high98.4Very high23 Ų2343.9 Ų43.912%0.1224%0.237CC..  trans-124.1169.8-169.4-63.1174.2000111D280 R285 H286 F287 D307D280-L283 HydrophobicContact CB-CD1 4.22Å; D280-L283 HydrophobicContact CB-CD2 4.02Å; L283-R285 VanDerWaalsContact C-N 3.29Å; L283-R285 PolarHBondContact O-N 3.19Å; L283-H286 PolarHBondContact N-ND1 3.34Å; L283-H286 VanDerWaalsContact N-ND1 3.15Å; L283-H286 WeakPolarHBondContact O-CA 3.37Å; L283-H286 WeakPolarHBondContact O-CB 3.33Å; L283-H286 PolarHBondContact O-N 3.05Å; L283-F287 WeakPolarHBondContact O-CD2 3.44Å; L283-F287 PolarHBondContact O-N 3.25Å; L283-F287 VanDerWaalsContact O-N 3.12Å; L283-D307 HydrophobicContact CD2-CB 3.89Å
284G98.8Very high98.4Very high5 Ų543.8 Ų43.85%0.05224%0.237CC..Hα-helixtrans-46.2-48.4177.400000114.4H286 F287 E288G284-H286 PolarHBondContact O-N 3.2Å; G284-H286 VanDerWaalsContact O-N 3.15Å; G284-F287 PolarHBondContact O-N 3.01Å; G284-F287 VanDerWaalsContact O-N 3.15Å; G284-E288 WeakPolarHBondContact O-CG 3.46Å; G284-E288 PolarHBondContact O-N 3.17Å
285R98.8Very high98.4Very high122 Ų12244.1 Ų44.146%0.4624%0.238SC..Hα-helixtrans-61-24178.470.1171.4-175.5-77.5-6.4114.3D263 L283 Q289D263-R285 IonicContact OD1-CZ 3.39Å; D263-R285 IonicContact OD1-NE 3.2Å; D263-R285 PolarHBondContact OD1-NE 2.72Å; D263-R285 IonicContact OD1-NH2 2.73Å; L283-R285 VanDerWaalsContact C-N 3.29Å; L283-R285 PolarHBondContact O-N 3.19Å; R285-Q289 PolarHBondContact O-NE2 3.29Å
286H98.9Very high98.4Very high2 Ų243.4 Ų43.41%0.00923%0.234CC..Hα-helixtrans-81.9-48175.3-53.2149.2000109.6D263 C266 I281 I282 L283 G284 E288 Q289 M290D263-H286 IonicContact OD1-CD2 3.91Å; D263-H286 IonicContact OD1-NE2 3.77Å; D263-H286 PolarHBondContact OD1-NE2 3.34Å; C266-H286 HydrophobicContact CB-CB 3.81Å; I281-H286 PolarHBondContact O-CE1 3Å; I281-H286 VanDerWaalsContact O-CE1 3.23Å; I281-H286 PolarHBondContact O-ND1 3.18Å; I282-H286 HydrophobicContact CG2-CB 4.36Å; L283-H286 PolarHBondContact N-ND1 3.34Å; L283-H286 VanDerWaalsContact N-ND1 3.15Å; L283-H286 WeakPolarHBondContact O-CA 3.37Å; L283-H286 WeakPolarHBondContact O-CB 3.33Å; L283-H286 PolarHBondContact O-N 3.05Å; G284-H286 PolarHBondContact O-N 3.2Å; G284-H286 VanDerWaalsContact O-N 3.15Å; H286-E288 PolarHBondContact O-N 3.32Å; H286-Q289 PolarHBondContact O-N 2.75Å; H286-M290 HydrophobicContact CB-CE 4.48Å; H286-M290 WeakPolarHBondContact O-CG 3.46Å; H286-M290 PolarHBondContact O-N 2.93Å; H286-M290 VanDerWaalsContact O-N 3.17Å
287F98.9Very high98.4Very high0 Ų041 Ų410%022%0.219CC..Hα-helixtrans-55.4-39.6177.5-69.8-57.6000112.7I282 L283 G284 Q289 M290 V296 I306 W310 L311 L330 I336I282-F287 HydrophobicContact CG2-CD1 4.21Å; I282-F287 HydrophobicContact CG2-CE1 3.69Å; I282-F287 HydrophobicContact CG2-CE2 4.05Å; I282-F287 HydrophobicContact CG2-CZ 3.6Å; L283-F287 WeakPolarHBondContact O-CD2 3.44Å; L283-F287 PolarHBondContact O-N 3.25Å; L283-F287 VanDerWaalsContact O-N 3.12Å; G284-F287 PolarHBondContact O-N 3.01Å; G284-F287 VanDerWaalsContact O-N 3.15Å; F287-Q289 PolarHBondContact O-N 3.18Å; F287-Q289 VanDerWaalsContact O-N 3.16Å; F287-M290 HydrophobicContact CD1-CE 4.08Å; F287-M290 HydrophobicContact CD1-SD 3.77Å; F287-M290 HydrophobicContact CE1-CE 4.35Å; F287-M290 HydrophobicContact CE1-SD 4.35Å; F287-M290 PolarHBondContact O-N 3.23Å; F287-V296 HydrophobicContact CE1-CB 4.48Å; F287-V296 HydrophobicContact CE1-CG1 4.23Å; F287-V296 HydrophobicContact CE1-CG2 4.11Å; F287-I306 HydrophobicContact CE2-CG2 4.42Å; F287-I306 HydrophobicContact CZ-CG2 3.67Å; F287-W310 HydrophobicContact CB-CE3 4.32Å; F287-W310 HydrophobicContact CB-CH2 4.28Å; F287-W310 HydrophobicContact CB-CZ3 3.71Å; F287-W310 AromaticContact CD2-CE3 3.69Å; F287-W310 HydrophobicContact CD2-CE3 3.69Å; F287-W310 AromaticContact CD2-CZ3 3.96Å; F287-W310 HydrophobicContact CD2-CZ3 3.96Å; F287-W310 HydrophobicContact CE2-CE3 4.44Å; F287-W310 HydrophobicContact CG-CE3 4.37Å; F287-W310 HydrophobicContact CG-CZ3 4.19Å; F287-L311 HydrophobicContact CD1-CD1 4.5Å; F287-L311 HydrophobicContact CD1-CD2 4.11Å; F287-L311 HydrophobicContact CD2-CD2 4.08Å; F287-L311 HydrophobicContact CD2-CG 4.08Å; F287-L311 HydrophobicContact CE1-CD1 3.83Å; F287-L311 HydrophobicContact CE1-CD2 4.25Å; F287-L311 HydrophobicContact CE1-CG 4.21Å; F287-L311 HydrophobicContact CE2-CD1 4.03Å; F287-L311 HydrophobicContact CE2-CD2 4.23Å; F287-L311 HydrophobicContact CE2-CG 3.76Å; F287-L311 HydrophobicContact CG-CD2 4.02Å; F287-L311 HydrophobicContact CG-CG 4.45Å; F287-L311 HydrophobicContact CZ-CD1 3.55Å; F287-L311 HydrophobicContact CZ-CD2 4.3Å; F287-L311 HydrophobicContact CZ-CG 3.82Å; F287-L330 HydrophobicContact CB-CD1 4.28Å; F287-L330 WeakPolarHBondContact O-CD1 3.3Å; F287-I336 HydrophobicContact CD1-CD1 4.28Å; F287-I336 HydrophobicContact CD1-CG1 4.18Å; F287-I336 HydrophobicContact CD1-CG2 4.19Å; F287-I336 HydrophobicContact CE1-CG2 4.14Å
288E98.9Very high98.6Very high105 Ų10538.7 Ų38.749%0.49120%0.196SC..THydrogen-bonded Turntrans-61.6-21.5177.9-73.2176.7163.400113.4G284 H286 W310 N332 R334G284-E288 WeakPolarHBondContact O-CG 3.46Å; G284-E288 PolarHBondContact O-N 3.17Å; H286-E288 PolarHBondContact O-N 3.32Å; E288-W310 HydrophobicContact CG-CH2 3.78Å; E288-W310 HydrophobicContact CG-CZ2 3.97Å; E288-N332 PolarHBondContact O-ND2 2.83Å; E288-N332 VanDerWaalsContact O-ND2 3.16Å; E288-R334 PolarHBondContact O-NH2 3.4Å
289Q98.9Very high98.7Very high79 Ų7936 Ų3637%0.36918%0.177SC..THydrogen-bonded Turntrans-104.4-14.5-177.4-65.1-174.175.400113.8Q267 R285 H286 F287Q267-Q289 HydrophobicContact CG-CB 4.1Å; R285-Q289 PolarHBondContact O-NE2 3.29Å; H286-Q289 PolarHBondContact O-N 2.75Å; F287-Q289 PolarHBondContact O-N 3.18Å; F287-Q289 VanDerWaalsContact O-N 3.16Å
290M98.9Very high98.5Very high1 Ų132.6 Ų32.61%0.00516%0.158CC..SBendtrans-59.9149.4-178.1-75.2-178-178.300113C266 F272 I282 H286 F287 A294 V296 R334 I336C266-M290 WeakPolarHBondContact O-CA 3.32Å; F272-M290 HydrophobicContact CD1-CE 3.95Å; F272-M290 HydrophobicContact CD2-CE 3.73Å; F272-M290 HydrophobicContact CD2-SD 3.94Å; F272-M290 HydrophobicContact CE1-CE 4.02Å; F272-M290 HydrophobicContact CE2-CE 3.78Å; F272-M290 HydrophobicContact CE2-CG 3.76Å; F272-M290 HydrophobicContact CE2-SD 3.75Å; F272-M290 HydrophobicContact CG-CE 3.82Å; F272-M290 HydrophobicContact CZ-CE 3.92Å; F272-M290 HydrophobicContact CZ-CG 3.89Å; F272-M290 HydrophobicContact CZ-SD 4.29Å; I282-M290 HydrophobicContact CG2-CE 3.7Å; H286-M290 HydrophobicContact CB-CE 4.48Å; H286-M290 WeakPolarHBondContact O-CG 3.46Å; H286-M290 PolarHBondContact O-N 2.93Å; H286-M290 VanDerWaalsContact O-N 3.17Å; F287-M290 HydrophobicContact CD1-CE 4.08Å; F287-M290 HydrophobicContact CD1-SD 3.77Å; F287-M290 HydrophobicContact CE1-CE 4.35Å; F287-M290 HydrophobicContact CE1-SD 4.35Å; F287-M290 PolarHBondContact O-N 3.23Å; M290-A294 HydrophobicContact CB-CB 3.89Å; M290-A294 HydrophobicContact CG-CB 4.31Å; M290-A294 HydrophobicContact SD-CB 4Å; M290-V296 HydrophobicContact CE-CG2 3.99Å; M290-V296 HydrophobicContact SD-CG2 3.71Å; M290-R334 VanDerWaalsContact O-CD 3.23Å; M290-R334 WeakPolarHBondContact O-CD 3.38Å; M290-R334 PolarHBondContact O-NE 3.44Å; M290-I336 HydrophobicContact CB-CD1 3.78Å; M290-I336 HydrophobicContact CG-CD1 4.39Å; M290-I336 HydrophobicContact SD-CD1 3.78Å
291K98.9Very high97.8Very high80 Ų8028.6 Ų28.635%0.34814%0.136SC..PPolyproline II helixtrans-59.6155.9169.5-72176.5178.6166.70110.9E268 D293 A294E268-K291 WeakPolarHBondContact O-CD 3.41Å; E268-K291 VanDerWaalsContact O-CE 3.25Å; E268-K291 WeakPolarHBondContact O-CE 3.47Å; E268-K291 PolarHBondContact O-NZ 3.34Å; K291-D293 PolarHBondContact O-N 3.29Å; K291-A294 WeakPolarHBondContact O-CB 3.45Å; K291-A294 PolarHBondContact O-N 3.27Å; K291-A294 VanDerWaalsContact O-N 3.14Å
292D98.9Very high97.2Very high69 Ų6930.5 Ų30.537%0.36914%0.143SC..THydrogen-bonded Turntrans-64.9132179-16529.6000111.3A294 R334 R335D292-A294 VanDerWaalsContact C-N 3.31Å; D292-A294 PolarHBondContact O-N 3.01Å; D292-R334 HydrophobicContact CB-CB 4.4Å; D292-R334 HydrophobicContact CB-CG 4.1Å; D292-R334 VanDerWaalsContact OD1-CA 3.27Å; D292-R334 WeakPolarHBondContact OD1-CA 3.32Å; D292-R335 VanDerWaalsContact CG-NH1 3.27Å; D292-R335 WeakPolarHBondContact OD1-CD 3.44Å; D292-R335 IonicContact OD1-CZ 2.96Å; D292-R335 PolarHBondContact OD1-N 3.45Å; D292-R335 IonicContact OD1-NE 2.89Å; D292-R335 PolarHBondContact OD1-NE 3.04Å; D292-R335 IonicContact OD1-NH1 2.7Å; D292-R335 PolarHBondContact OD1-NH1 3.49Å; D292-R335 VanDerWaalsContact OD1-NH1 3.16Å; D292-R335 IonicContact OD1-NH2 2.75Å; D292-R335 PolarHBondContact OD1-NH2 2.83Å; D292-R335 IonicContact OD2-CZ 3.7Å; D292-R335 IonicContact OD2-NE 3.55Å; D292-R335 IonicContact OD2-NH1 3.89Å; D292-R335 PolarHBondContact OD2-NH1 3.2Å; D292-R335 IonicContact OD2-NH2 3.41Å; D292-R335 PolarHBondContact OD2-NH2 3.4Å
293D98.9Very high96.9Very high48 Ų4833.4 Ų33.426%0.25716%0.159SC..THydrogen-bonded Turntrans57.434.7-169-74.4-35.9000114.8K291 I295 R327 R335 I337K291-D293 PolarHBondContact O-N 3.29Å; D293-I295 PolarHBondContact O-N 2.88Å; D293-R327 VanDerWaalsContact CG-NH2 3.26Å; D293-R327 IonicContact OD1-CZ 3.28Å; D293-R327 IonicContact OD1-NE 3.59Å; D293-R327 PolarHBondContact OD1-NE 3.28Å; D293-R327 IonicContact OD1-NH2 2.85Å; D293-R327 PolarHBondContact OD1-NH2 3.32Å; D293-R327 IonicContact OD2-CZ 3.44Å; D293-R327 IonicContact OD2-NE 2.82Å; D293-R327 IonicContact OD2-NH2 2.6Å; D293-R327 PolarHBondContact OD2-NH2 2.8Å; D293-R335 WeakPolarHBondContact CA-O 3.48Å; D293-R335 VanDerWaalsContact CG-NH2 3.35Å; D293-R335 PolarHBondContact N-O 3.18Å; D293-R335 VanDerWaalsContact OD1-CB 3.23Å; D293-R335 WeakPolarHBondContact OD1-CB 3.06Å; D293-R335 IonicContact OD1-CZ 3.15Å; D293-R335 IonicContact OD1-NE 3.51Å; D293-R335 PolarHBondContact OD1-NE 2.58Å; D293-R335 IonicContact OD1-NH2 2.74Å; D293-R335 IonicContact OD2-CZ 3.54Å; D293-R335 IonicContact OD2-NE 3.88Å; D293-R335 PolarHBondContact OD2-NE 2.75Å; D293-R335 IonicContact OD2-NH2 3.08Å; D293-R335 PolarHBondContact OD2-NH2 3.29Å; D293-I337 HydrophobicContact CB-CD1 4.09Å
294A98.9Very high96.7Very high0 Ų035.7 Ų35.70%017%0.173CC..EExtended strand (participates in β ladder)trans-58.2130.5168.300000110.8N270 F272 M290 K291 D292 I336 I337N270-A294 WeakPolarHBondContact O-CA 3.3Å; F272-A294 HydrophobicContact CD2-CB 4.27Å; F272-A294 HydrophobicContact CE2-CB 3.97Å; M290-A294 HydrophobicContact CB-CB 3.89Å; M290-A294 HydrophobicContact CG-CB 4.31Å; M290-A294 HydrophobicContact SD-CB 4Å; K291-A294 WeakPolarHBondContact O-CB 3.45Å; K291-A294 PolarHBondContact O-N 3.27Å; K291-A294 VanDerWaalsContact O-N 3.14Å; D292-A294 VanDerWaalsContact C-N 3.31Å; D292-A294 PolarHBondContact O-N 3.01Å; A294-I336 HydrophobicContact CB-CD1 4.14Å; A294-I337 PolarHBondContact O-N 3.45Å
295I98.9Very high96.7Very high6 Ų635.4 Ų35.43%0.03117%0.171CC..EExtended strand (participates in β ladder)trans-89.4127.4174.6-64.2165000108.1T207 V209 N270 I271 F272 D293 I337 L339T207-I295 HydrophobicContact CG2-CD1 3.98Å; T207-I295 HydrophobicContact CG2-CG1 4.38Å; V209-I295 HydrophobicContact CB-CD1 3.88Å; V209-I295 HydrophobicContact CG1-CD1 3.67Å; V209-I295 HydrophobicContact CG2-CD1 4Å; N270-I295 PolarHBondContact O-N 3.02Å; I271-I295 CarbonylContact C-O 3.58Å; I271-I295 VanDerWaalsContact CA-O 3.32Å; I271-I295 WeakPolarHBondContact CA-O 3.38Å; I271-I295 HydrophobicContact CG1-CB 4.45Å; F272-I295 PolarHBondContact N-O 3.3Å; D293-I295 PolarHBondContact O-N 2.88Å; I295-I337 CarbonylContact C-O 3.59Å; I295-I337 WeakPolarHBondContact CA-O 3.41Å; I295-I337 HydrophobicContact CG1-CB 4.1Å; I295-I337 HydrophobicContact CG1-CD1 4.2Å; I295-I337 HydrophobicContact CG1-CG2 4.35Å; I295-L339 HydrophobicContact CG2-CD1 3.82Å; I295-L339 HydrophobicContact CG2-CG 4.05Å
296V98.9Very high96.7Very high0 Ų029.9 Ų29.90%015%0.15CC..EExtended strand (participates in β ladder)trans-125.6125.6-178.6-172.20000108.8F272 I282 F287 M290 I306 I336 I337 L338 L339F272-V296 HydrophobicContact CB-CG1 4.25Å; F272-V296 HydrophobicContact CB-CG2 4.26Å; F272-V296 HydrophobicContact CD2-CG2 4.14Å; I282-V296 HydrophobicContact CD1-CG1 3.63Å; I282-V296 HydrophobicContact CG2-CG1 4.42Å; F287-V296 HydrophobicContact CE1-CB 4.48Å; F287-V296 HydrophobicContact CE1-CG1 4.23Å; F287-V296 HydrophobicContact CE1-CG2 4.11Å; M290-V296 HydrophobicContact CE-CG2 3.99Å; M290-V296 HydrophobicContact SD-CG2 3.71Å; V296-I306 HydrophobicContact CG1-CD1 3.93Å; V296-I306 HydrophobicContact CG1-CG1 4.44Å; V296-I306 HydrophobicContact CG1-CG2 4.39Å; V296-I336 HydrophobicContact CB-CG2 4.46Å; V296-I336 HydrophobicContact CG2-CG2 3.86Å; V296-I337 PolarHBondContact N-O 2.7Å; V296-L338 HydrophobicContact CB-CD1 4.46Å; V296-L339 PolarHBondContact O-N 3.4Å; V296-L339 VanDerWaalsContact O-N 3.11Å
297C98.9Very high96.7Very high0 Ų032.1 Ų32.10%016%0.162CC..EExtended strand (participates in β ladder)trans-146.5161.9178.368.60000112.3F272 V273 T274 L339 V345F272-C297 PolarHBondContact O-N 2.69Å; V273-C297 WeakPolarHBondContact CA-O 3.37Å; T274-C297 PolarHBondContact N-O 2.98Å; T274-C297 VanDerWaalsContact N-O 3.08Å; C297-L339 HydrophobicContact CB-CB 3.86Å; C297-L339 HydrophobicContact CB-CD1 4Å; C297-L339 HydrophobicContact CB-CG 4.12Å; C297-V345 HydrophobicContact CB-CB 3.9Å; C297-V345 HydrophobicContact CB-CG1 4.23Å; C297-V345 HydrophobicContact CB-CG2 3.82Å
298N98.8Very high96.6Very high0 Ų033 Ų330%017%0.167CC..EExtended strand (participates in β ladder)trans-119.2141.2178.1175.436.2000109.4T274 G300 F302 I306 G342 V345T274-N298 PolarHBondContact O-OD1 3.22Å; T274-N298 VanDerWaalsContact OG1-CA 3.3Å; T274-N298 WeakPolarHBondContact OG1-CA 3.24Å; T274-N298 VanDerWaalsContact OG1-CB 3.31Å; T274-N298 WeakPolarHBondContact OG1-CB 3.4Å; T274-N298 PolarHBondContact OG1-OD1 3Å; N298-G300 PolarHBondContact ND2-O 2.89Å; N298-G300 WeakPolarHBondContact OD1-CA 3.31Å; N298-G300 PolarHBondContact OD1-N 3.35Å; N298-F302 PolarHBondContact ND2-O 2.99Å; N298-I306 HydrophobicContact CB-CD1 3.79Å; N298-G342 WeakPolarHBondContact CB-O 3.47Å; N298-G342 PolarHBondContact ND2-O 2.74Å; N298-V345 WeakPolarHBondContact O-CB 3.31Å; N298-V345 WeakPolarHBondContact O-CG1 3.22Å; N298-V345 PolarHBondContact O-N 2.88Å
299I98.4Very high96.6Very high7 Ų734.2 Ų34.24%0.03617%0.171CC..  trans-131.19.2170.1-160.2173.7000111.4C195 L199 V224 V273 T274 T275 L344 V345 N346C195-I299 HydrophobicContact CB-CD1 4.34Å; L199-I299 HydrophobicContact CB-CD1 3.91Å; L199-I299 HydrophobicContact CD1-CD1 4.11Å; V224-I299 HydrophobicContact CG1-CG2 3.7Å; V273-I299 HydrophobicContact CG1-CG2 3.8Å; T274-I299 PolarHBondContact O-N 3.35Å; T275-I299 HydrophobicContact CG2-CG2 3.67Å; I299-L344 VanDerWaalsContact O-CD2 3.28Å; I299-L344 WeakPolarHBondContact O-CD2 3.24Å; I299-V345 HydrophobicContact CB-CG1 4.09Å; I299-V345 HydrophobicContact CD1-CG1 4.41Å; I299-V345 HydrophobicContact CG1-CG1 4.33Å; I299-N346 HydrophobicContact CD1-CB 3.79Å; I299-N346 HydrophobicContact CG1-CB 4.25Å
300G92.8Very high96.6Very high8 Ų832.6 Ų32.68%0.08216%0.162CC..SBendtrans-76.2164.3159.400000111.9T274 N298 F302 E305 L344T274-G300 PolarHBondContact O-N 3.09Å; N298-G300 PolarHBondContact ND2-O 2.89Å; N298-G300 WeakPolarHBondContact OD1-CA 3.31Å; N298-G300 PolarHBondContact OD1-N 3.35Å; G300-F302 PolarHBondContact O-N 2.96Å; G300-E305 WeakPolarHBondContact CA-OE1 3.34Å; G300-L344 WeakPolarHBondContact O-CD2 3.48Å; G300-L344 WeakPolarHBondContact O-CG 3.41Å
301H83.7Confident96.6Very high17 Ų1732.5 Ų32.58%0.07916%0.162CC..SBendtrans-63.7-46.2-163.8-173.286.6000114.5D131 G132D131-H301 PolarHBondContact O-CE1 2.98Å; D131-H301 IonicContact OD1-CE1 3.4Å; D131-H301 PolarHBondContact OD1-CE1 3.36Å; D131-H301 IonicContact OD1-ND1 4Å; D131-H301 PolarHBondContact OD1-ND1 3.42Å; G132-H301 WeakPolarHBondContact CA-CE1 3.36Å; G132-H301 WeakPolarHBondContact CA-NE2 3.37Å
302F86Confident96.6Very high68 Ų6833 Ų3330%0.29817%0.168SC..SBendtrans-106.8158.7-178.5-68-59.8000112.7T159 N298 G300 V304T159-F302 HydrophobicContact CG2-CD2 3.75Å; T159-F302 HydrophobicContact CG2-CE2 3.53Å; N298-F302 PolarHBondContact ND2-O 2.99Å; G300-F302 PolarHBondContact O-N 2.96Å; F302-V304 HydrophobicContact CB-CG1 4.3Å; F302-V304 HydrophobicContact CB-CG2 4.1Å; F302-V304 PolarHBondContact O-N 2.95Å; F302-V304 VanDerWaalsContact O-N 3.07Å
303D90.8Very high96.6Very high62 Ų6235.7 Ų35.733%0.33218%0.178SC..THydrogen-bonded Turntrans-81.234.517961.5-30.6000114.3G342 R343D303-G342 WeakPolarHBondContact CA-O 3.42Å; D303-R343 HydrophobicContact CB-CG 3.67Å; D303-R343 IonicContact OD2-CZ 2.79Å; D303-R343 VanDerWaalsContact OD2-CZ 3.26Å; D303-R343 IonicContact OD2-NE 2.91Å; D303-R343 IonicContact OD2-NH1 3.89Å; D303-R343 PolarHBondContact OD2-NH1 2.87Å; D303-R343 IonicContact OD2-NH2 3.6Å
304V95.2Very high96.6Very high70 Ų7035.5 Ų35.542%0.42418%0.177SC..THydrogen-bonded Turntrans-102.1-12.2-177.2-60.70000113.5V279 D280 F302 I306V279-V304 WeakPolarHBondContact CA-O 3.27Å; V279-V304 HydrophobicContact CB-CB 4.43Å; V279-V304 HydrophobicContact CB-CG2 4.48Å; D280-V304 PolarHBondContact N-O 3.2Å; F302-V304 HydrophobicContact CB-CG1 4.3Å; F302-V304 HydrophobicContact CB-CG2 4.1Å; F302-V304 PolarHBondContact O-N 2.95Å; F302-V304 VanDerWaalsContact O-N 3.07Å; V304-I306 VanDerWaalsContact C-N 3.3Å; V304-I306 PolarHBondContact O-N 3.47Å
305E98.5Very high96.6Very high0 Ų036.5 Ų36.50%019%0.185CC..SBendtrans-73-26.4-177.7-48.9-150.1-159.700112T274 T275 T276 G277 C278 I281 I282 G300T274-E305 WeakPolarHBondContact CB-OE2 3.46Å; T274-E305 HydrophobicContact CG2-CB 4.2Å; T274-E305 WeakPolarHBondContact OG1-CB 3.5Å; T275-E305 PolarHBondContact N-OE2 3.47Å; T276-E305 WeakPolarHBondContact CB-OE2 3.49Å; T276-E305 PolarHBondContact N-OE1 3.18Å; T276-E305 VanDerWaalsContact N-OE1 3.15Å; T276-E305 PolarHBondContact N-OE2 3.21Å; T276-E305 VanDerWaalsContact OG1-CD 3.25Å; T276-E305 PolarHBondContact OG1-OE2 2.86Å; G277-E305 WeakPolarHBondContact CA-OE1 3.23Å; G277-E305 PolarHBondContact N-OE1 2.65Å; C278-E305 WeakPolarHBondContact O-CA 3.46Å; C278-E305 VanDerWaalsContact O-CG 3.29Å; C278-E305 WeakPolarHBondContact O-CG 3.33Å; I281-E305 WeakPolarHBondContact CA-O 3.45Å; I281-E305 HydrophobicContact CB-CB 4.31Å; I281-E305 VanDerWaalsContact CB-O 3.26Å; I281-E305 WeakPolarHBondContact CB-O 3.14Å; I281-E305 HydrophobicContact CG1-CB 3.97Å; I281-E305 PolarHBondContact N-O 3.27Å; I282-E305 PolarHBondContact N-O 2.89Å; G300-E305 WeakPolarHBondContact CA-OE1 3.34Å
306I98.8Very high96.6Very high5 Ų540.4 Ų40.43%0.02621%0.21CC..BIsolated β-bridgetrans-117.2128.8-176-56.7166.7000108.8T274 I282 F287 V296 N298 V304 V308 L338T274-I306 HydrophobicContact CG2-CD1 4.5Å; T274-I306 HydrophobicContact CG2-CG1 4.01Å; I282-I306 HydrophobicContact CB-CG1 4.36Å; I282-I306 HydrophobicContact CB-CG2 4.36Å; I282-I306 HydrophobicContact CD1-CG1 4.45Å; F287-I306 HydrophobicContact CE2-CG2 4.42Å; F287-I306 HydrophobicContact CZ-CG2 3.67Å; V296-I306 HydrophobicContact CG1-CD1 3.93Å; V296-I306 HydrophobicContact CG1-CG1 4.44Å; V296-I306 HydrophobicContact CG1-CG2 4.39Å; N298-I306 HydrophobicContact CB-CD1 3.79Å; V304-I306 VanDerWaalsContact C-N 3.3Å; V304-I306 PolarHBondContact O-N 3.47Å; I306-V308 HydrophobicContact CB-CG2 4.17Å; I306-V308 HydrophobicContact CG2-CG2 3.91Å; I306-V308 PolarHBondContact O-N 3.36Å; I306-L338 HydrophobicContact CG2-CD1 4.44Å
307D98.7Very high96.5Very high49 Ų4945.1 Ų45.126%0.26223%0.232SC..  trans-76.673.1173.5-170.7-4.6000111.2I282 L283 K309 W310I282-D307 PolarHBondContact O-N 3.15Å; L283-D307 HydrophobicContact CD2-CB 3.89Å; D307-K309 PolarHBondContact O-N 2.97Å; D307-K309 PolarHBondContact OD1-N 3.37Å; D307-W310 HydrophobicContact CB-CB 4.23Å; D307-W310 VanDerWaalsContact CG-CB 3.44Å; D307-W310 PolarHBondContact O-N 2.96Å; D307-W310 WeakPolarHBondContact OD1-CB 3.41Å; D307-W310 PolarHBondContact OD1-N 3.38Å; D307-W310 WeakPolarHBondContact OD2-CB 3.37Å
308V98.7Very high96.5Very high18 Ų1849.6 Ų49.611%0.10925%0.251CS..Hα-helixtrans-65-30.1177178.30000111I306 W310 L311 N312 L338I306-V308 HydrophobicContact CB-CG2 4.17Å; I306-V308 HydrophobicContact CG2-CG2 3.91Å; I306-V308 PolarHBondContact O-N 3.36Å; V308-W310 VanDerWaalsContact C-N 3.32Å; V308-W310 PolarHBondContact O-N 3.25Å; V308-L311 WeakPolarHBondContact O-CB 3.35Å; V308-L311 PolarHBondContact O-N 3.41Å; V308-N312 PolarHBondContact O-N 2.91Å; V308-N312 PolarHBondContact O-ND2 2.66Å; V308-L338 HydrophobicContact CB-CD2 4.35Å; V308-L338 HydrophobicContact CG1-CD2 3.66Å; V308-L338 HydrophobicContact CG2-CD1 4.36Å; V308-L338 HydrophobicContact CG2-CD2 3.87Å
309K98.6Very high96.5Very high132 Ų13252.3 Ų52.357%0.57427%0.268SS*.Hα-helixtrans-58.8-45.6174.9-178.6-179.2177.3-175.90110.7D307 L311 N312 E313D307-K309 PolarHBondContact O-N 2.97Å; D307-K309 PolarHBondContact OD1-N 3.37Å; K309-L311 VanDerWaalsContact C-N 3.31Å; K309-L311 PolarHBondContact O-N 2.74Å; K309-N312 PolarHBondContact O-N 2.94Å; K309-N312 VanDerWaalsContact O-N 3.15Å; K309-E313 WeakPolarHBondContact CE-OE1 3.36Å; K309-E313 HydrophobicContact CG-CG 4.35Å; K309-E313 IonicContact NZ-OE1 3.17Å; K309-E313 WeakPolarHBondContact O-CG 3.29Å; K309-E313 PolarHBondContact O-N 3.18Å
310W98.9Very high96.5Very high44 Ų4456.5 Ų56.517%0.16729%0.29CS..Hα-helixtrans-58-42.4176.2-175.297.8000112.5F287 E288 D307 V308 E313 N314 L330F287-W310 HydrophobicContact CB-CE3 4.32Å; F287-W310 HydrophobicContact CB-CH2 4.28Å; F287-W310 HydrophobicContact CB-CZ3 3.71Å; F287-W310 AromaticContact CD2-CE3 3.69Å; F287-W310 HydrophobicContact CD2-CE3 3.69Å; F287-W310 AromaticContact CD2-CZ3 3.96Å; F287-W310 HydrophobicContact CD2-CZ3 3.96Å; F287-W310 HydrophobicContact CE2-CE3 4.44Å; F287-W310 HydrophobicContact CG-CE3 4.37Å; F287-W310 HydrophobicContact CG-CZ3 4.19Å; E288-W310 HydrophobicContact CG-CH2 3.78Å; E288-W310 HydrophobicContact CG-CZ2 3.97Å; D307-W310 HydrophobicContact CB-CB 4.23Å; D307-W310 VanDerWaalsContact CG-CB 3.44Å; D307-W310 PolarHBondContact O-N 2.96Å; D307-W310 WeakPolarHBondContact OD1-CB 3.41Å; D307-W310 PolarHBondContact OD1-N 3.38Å; D307-W310 WeakPolarHBondContact OD2-CB 3.37Å; V308-W310 VanDerWaalsContact C-N 3.32Å; V308-W310 PolarHBondContact O-N 3.25Å; W310-E313 PolarHBondContact O-N 3.15Å; W310-N314 HydrophobicContact CD2-CB 4.09Å; W310-N314 HydrophobicContact CE3-CB 4.34Å; W310-N314 HydrophobicContact CH2-CB 4.22Å; W310-N314 HydrophobicContact CZ2-CB 3.96Å; W310-N314 HydrophobicContact CZ3-CB 4.4Å; W310-N314 PolarHBondContact NE1-ND2 3.4Å; W310-N314 VanDerWaalsContact O-CB 3.25Å; W310-N314 WeakPolarHBondContact O-CB 3.11Å; W310-N314 PolarHBondContact O-N 2.92Å; W310-N314 PolarHBondContact O-ND2 3.44Å; W310-L330 HydrophobicContact CZ3-CD2 4.07Å
311L98.8Very high96.8Very high0 Ų060.8 Ų60.80%031%0.31CS..Hα-helixtrans-60.4-46.3175.5-76.6173000111.5F287 V308 K309 E313 A315 Y328 L330 I336 L338F287-L311 HydrophobicContact CD1-CD1 4.5Å; F287-L311 HydrophobicContact CD1-CD2 4.11Å; F287-L311 HydrophobicContact CD2-CD2 4.08Å; F287-L311 HydrophobicContact CD2-CG 4.08Å; F287-L311 HydrophobicContact CE1-CD1 3.83Å; F287-L311 HydrophobicContact CE1-CD2 4.25Å; F287-L311 HydrophobicContact CE1-CG 4.21Å; F287-L311 HydrophobicContact CE2-CD1 4.03Å; F287-L311 HydrophobicContact CE2-CD2 4.23Å; F287-L311 HydrophobicContact CE2-CG 3.76Å; F287-L311 HydrophobicContact CG-CD2 4.02Å; F287-L311 HydrophobicContact CG-CG 4.45Å; F287-L311 HydrophobicContact CZ-CD1 3.55Å; F287-L311 HydrophobicContact CZ-CD2 4.3Å; F287-L311 HydrophobicContact CZ-CG 3.82Å; V308-L311 WeakPolarHBondContact O-CB 3.35Å; V308-L311 PolarHBondContact O-N 3.41Å; K309-L311 VanDerWaalsContact C-N 3.31Å; K309-L311 PolarHBondContact O-N 2.74Å; L311-E313 VanDerWaalsContact C-N 3.31Å; L311-E313 PolarHBondContact O-N 3.14Å; L311-A315 WeakPolarHBondContact O-CB 3.47Å; L311-A315 PolarHBondContact O-N 3.05Å; L311-Y328 HydrophobicContact CB-CD1 3.99Å; L311-Y328 HydrophobicContact CB-CE1 3.9Å; L311-Y328 HydrophobicContact CB-CG 4.39Å; L311-Y328 HydrophobicContact CD1-CD2 4.4Å; L311-Y328 HydrophobicContact CD1-CE2 4.46Å; L311-Y328 HydrophobicContact CD2-CG 4.43Å; L311-L330 HydrophobicContact CD2-CD2 3.94Å; L311-I336 HydrophobicContact CD1-CG2 4.47Å; L311-I336 HydrophobicContact CD2-CB 4.49Å; L311-I336 HydrophobicContact CD2-CG1 4.42Å; L311-L338 HydrophobicContact CD1-CD1 4.5Å; L311-L338 HydrophobicContact CD1-CD2 4.16Å
312N98.6Very high97.5Very high89 Ų8963.5 Ų63.548%0.47632%0.322SS..Hα-helixtrans-62.8-36.1179.2-69.6-28.9000112.6V308 K309 Y328V308-N312 PolarHBondContact O-N 2.91Å; V308-N312 PolarHBondContact O-ND2 2.66Å; K309-N312 PolarHBondContact O-N 2.94Å; K309-N312 VanDerWaalsContact O-N 3.15Å; N312-Y328 WeakPolarHBondContact OD1-CE1 3.32Å; N312-Y328 PolarHBondContact OD1-OH 2.94Å
313E98.8Very high98.1Very high126 Ų12665 Ų6559%0.58934%0.338SS*.Hα-helixtrans-84.3-29.2-178-69.7178.416700113.6K309 W310 L311K309-E313 WeakPolarHBondContact CE-OE1 3.36Å; K309-E313 HydrophobicContact CG-CG 4.35Å; K309-E313 IonicContact NZ-OE1 3.17Å; K309-E313 WeakPolarHBondContact O-CG 3.29Å; K309-E313 PolarHBondContact O-N 3.18Å; W310-E313 PolarHBondContact O-N 3.15Å; L311-E313 VanDerWaalsContact C-N 3.31Å; L311-E313 PolarHBondContact O-N 3.14Å
314N98.8Very high98.5Very high44 Ų4463.5 Ų63.524%0.23533%0.329CS..Hα-helixtrans-113-17.3-167.9-67.7-84.6000115.3W310W310-N314 HydrophobicContact CD2-CB 4.09Å; W310-N314 HydrophobicContact CE3-CB 4.34Å; W310-N314 HydrophobicContact CH2-CB 4.22Å; W310-N314 HydrophobicContact CZ2-CB 3.96Å; W310-N314 HydrophobicContact CZ3-CB 4.4Å; W310-N314 PolarHBondContact NE1-ND2 3.4Å; W310-N314 VanDerWaalsContact O-CB 3.25Å; W310-N314 WeakPolarHBondContact O-CB 3.11Å; W310-N314 PolarHBondContact O-N 2.92Å; W310-N314 PolarHBondContact O-ND2 3.44Å
315A98.6Very high98.7Very high21 Ų2160.5 Ų60.517%0.17431%0.311CS..  trans-66.2144.617300000110.8L311 E317 Y328 R329 L330L311-A315 WeakPolarHBondContact O-CB 3.47Å; L311-A315 PolarHBondContact O-N 3.05Å; A315-E317 VanDerWaalsContact C-N 3.3Å; A315-Y328 HydrophobicContact CB-CD1 3.7Å; A315-Y328 HydrophobicContact CB-CG 4.43Å; A315-R329 CarbonylContact C-O 3.58Å; A315-R329 WeakPolarHBondContact CA-O 3.45Å; A315-R329 WeakPolarHBondContact CB-O 3.4Å; A315-L330 HydrophobicContact CB-CD2 4.3Å
316V98.6Very high98.7Very high89 Ų8960.7 Ų60.754%0.53931%0.312SS..SBendtrans-80.2-19175-61.20000112R329 K331V316-R329 HydrophobicContact CG2-CB 3.98Å; V316-R329 HydrophobicContact CG2-CG 3.82Å; V316-R329 VanDerWaalsContact CG2-O 3.3Å; V316-R329 WeakPolarHBondContact CG2-O 3.35Å; V316-R329 PolarHBondContact N-O 3.24Å; V316-K331 HydrophobicContact CG1-CB 4.42Å; V316-K331 HydrophobicContact CG1-CG 3.68Å
317E98.4Very high98.7Very high99 Ų9964.4 Ų64.446%0.46333%0.326SS..EExtended strand (participates in β ladder)trans-154.5139.5-179-171.1-178.1-155.100109.4A315 V319 Y328 R329A315-E317 VanDerWaalsContact C-N 3.3Å; E317-V319 HydrophobicContact CG-CG2 3.78Å; E317-Y328 CarbonylContact O-C 3.47Å; E317-Y328 WeakPolarHBondContact O-CA 3.5Å; E317-R329 HydrophobicContact CB-CB 3.95Å; E317-R329 PolarHBondContact O-N 2.99Å
318K98.7Very high98.7Very high93 Ų9362.1 Ų62.140%0.40431%0.313SS..EExtended strand (participates in β ladder)trans-121.4117.2166.2178.6-176.2179.11680107.7D326 Y328K318-D326 VanDerWaalsContact CE-OD1 3.27Å; K318-D326 WeakPolarHBondContact CE-OD1 3.28Å; K318-D326 WeakPolarHBondContact CE-OD2 3.18Å; K318-D326 IonicContact NZ-OD1 3.87Å; K318-D326 IonicContact NZ-OD2 2.73Å; K318-D326 PolarHBondContact NZ-OD2 2.91Å; K318-Y328 HydrophobicContact CB-CD1 4.04Å; K318-Y328 HydrophobicContact CB-CE1 3.95Å; K318-Y328 HydrophobicContact CD-CE1 3.67Å; K318-Y328 HydrophobicContact CD-CE2 4.46Å; K318-Y328 WeakPolarHBondContact CD-OH 3.39Å; K318-Y328 VanDerWaalsContact CE-OH 3.22Å; K318-Y328 WeakPolarHBondContact CE-OH 3.47Å; K318-Y328 HydrophobicContact CG-CD1 4.11Å; K318-Y328 HydrophobicContact CG-CE1 3.7Å; K318-Y328 HydrophobicContact CG-CE2 4.34Å; K318-Y328 PolarHBondContact NZ-OH 2.68Å; K318-Y328 VanDerWaalsContact NZ-OH 3.07Å
319V98.8Very high98.7Very high58 Ų5867 Ų6735%0.35233%0.33SS..EExtended strand (participates in β ladder)trans-109.2115.9175.6-174.80000108.6E317 I321 R327E317-V319 HydrophobicContact CG-CG2 3.78Å; V319-I321 HydrophobicContact CG1-CD1 4.12Å; V319-I321 PolarHBondContact O-N 2.87Å; V319-R327 PolarHBondContact N-O 2.9Å; V319-R327 PolarHBondContact O-N 2.92Å
320N98.8Very high98.7Very high95 Ų9561 Ų6151%0.50830%0.304SS..EExtended strand (participates in β ladder)trans-71.9120.2168.2-174.6-101.2000108.9K322 D326N320-K322 PolarHBondContact ND2-O 3.37Å; N320-K322 VanDerWaalsContact ND2-O 3.09Å; N320-K322 PolarHBondContact OD1-O 3.39Å; N320-D326 WeakPolarHBondContact CA-OD1 3.44Å; N320-D326 PolarHBondContact ND2-OD1 3.29Å
321I98.8Very high98.7Very high97 Ų9766.5 Ų66.550%0.49733%0.329SS..EExtended strand (participates in β ladder)trans-84.2-44.9-179.8-56.6-58.6000110V319 V325 R327V319-I321 HydrophobicContact CG1-CD1 4.12Å; V319-I321 PolarHBondContact O-N 2.87Å; I321-V325 HydrophobicContact CB-CB 4.36Å; I321-V325 HydrophobicContact CB-CG1 4.13Å; I321-V325 WeakPolarHBondContact CB-O 3.34Å; I321-V325 HydrophobicContact CG1-CG1 4.37Å; I321-V325 PolarHBondContact N-O 3.13Å; I321-R327 HydrophobicContact CD1-CB 3.89Å; I321-R327 HydrophobicContact CG1-CB 3.92Å
322K98.5Very high98.7Very high75 Ų7569.7 Ų69.733%0.32635%0.346SS..EExtended strand (participates in β ladder)trans-164.5174.6175.664.9-178.7179.2-172.90108.2R205 A206 N320 Q324 V325R205-K322 PolarHBondContact O-NZ 3.14Å; A206-K322 WeakPolarHBondContact O-CE 3.16Å; A206-K322 PolarHBondContact O-NZ 3.2Å; A206-K322 VanDerWaalsContact O-NZ 3.15Å; N320-K322 PolarHBondContact ND2-O 3.37Å; N320-K322 VanDerWaalsContact ND2-O 3.09Å; N320-K322 PolarHBondContact OD1-O 3.39Å; K322-Q324 PolarHBondContact O-N 2.87Å; K322-V325 HydrophobicContact CD-CG2 4.48Å; K322-V325 HydrophobicContact CG-CB 3.95Å; K322-V325 HydrophobicContact CG-CG2 3.84Å; K322-V325 PolarHBondContact O-N 2.81Å
323P98.5Very high98.7Very high99 Ų9967 Ų6764%0.64334%0.339SS*.THydrogen-bonded Turntrans-48.9129.9176.4-29.137.1000112V325P323-V325 PolarHBondContact O-N 3.33Å
324Q98.4Very high98.7Very high31 Ų3165 Ų6515%0.14533%0.326CS..THydrogen-bonded Turntrans63.317.3179.3-69.964.957.200115.5F82 K322 A340F82-Q324 HydrophobicContact CD1-CG 4.19Å; F82-Q324 HydrophobicContact CD2-CG 4.2Å; F82-Q324 HydrophobicContact CE1-CG 4.45Å; F82-Q324 VanDerWaalsContact CE1-NE2 3.32Å; F82-Q324 HydrophobicContact CE2-CG 4.44Å; F82-Q324 HydrophobicContact CG-CG 4.08Å; K322-Q324 PolarHBondContact O-N 2.87Å; Q324-A340 HydrophobicContact CB-CB 4.43Å; Q324-A340 PolarHBondContact O-N 2.61Å
325V98.9Very high98.7Very high6 Ų666 Ų664%0.03633%0.326CS..EExtended strand (participates in β ladder)trans-131.3107173.4-172.60000109.8A206 I321 K322 P323 I337 L339A206-V325 HydrophobicContact CB-CG2 3.79Å; I321-V325 HydrophobicContact CB-CB 4.36Å; I321-V325 HydrophobicContact CB-CG1 4.13Å; I321-V325 WeakPolarHBondContact CB-O 3.34Å; I321-V325 HydrophobicContact CG1-CG1 4.37Å; I321-V325 PolarHBondContact N-O 3.13Å; K322-V325 HydrophobicContact CD-CG2 4.48Å; K322-V325 HydrophobicContact CG-CB 3.95Å; K322-V325 HydrophobicContact CG-CG2 3.84Å; K322-V325 PolarHBondContact O-N 2.81Å; P323-V325 PolarHBondContact O-N 3.33Å; V325-I337 HydrophobicContact CG1-CG2 4.09Å; V325-L339 HydrophobicContact CG1-CD2 4.12Å; V325-L339 HydrophobicContact CG2-CD2 4.31Å
326D98.9Very high98.7Very high4 Ų465 Ų652%0.02132%0.318CS..EExtended strand (participates in β ladder)trans-113.9135.9-179.7-70-46.4000110.8K318 N320 Y328 I337 L338K318-D326 VanDerWaalsContact CE-OD1 3.27Å; K318-D326 WeakPolarHBondContact CE-OD1 3.28Å; K318-D326 WeakPolarHBondContact CE-OD2 3.18Å; K318-D326 IonicContact NZ-OD1 3.87Å; K318-D326 IonicContact NZ-OD2 2.73Å; K318-D326 PolarHBondContact NZ-OD2 2.91Å; N320-D326 WeakPolarHBondContact CA-OD1 3.44Å; N320-D326 PolarHBondContact ND2-OD1 3.29Å; D326-Y328 HydrophobicContact CB-CD2 4.28Å; D326-Y328 HydrophobicContact CB-CE2 3.62Å; D326-I337 CarbonylContact O-C 3.56Å; D326-I337 WeakPolarHBondContact O-CA 3.26Å; D326-L338 PolarHBondContact N-O 3.35Å; D326-L338 VanDerWaalsContact N-O 3.08Å; D326-L338 PolarHBondContact O-N 2.79Å
327R98.9Very high98.7Very high84 Ų8462 Ų6232%0.31730%0.299SS..EExtended strand (participates in β ladder)trans-113.2114.3175.8-169.1173.6-176.3-126.319.9109.9D293 V319 I321 R335 I336 I337D293-R327 VanDerWaalsContact CG-NH2 3.26Å; D293-R327 IonicContact OD1-CZ 3.28Å; D293-R327 IonicContact OD1-NE 3.59Å; D293-R327 PolarHBondContact OD1-NE 3.28Å; D293-R327 IonicContact OD1-NH2 2.85Å; D293-R327 PolarHBondContact OD1-NH2 3.32Å; D293-R327 IonicContact OD2-CZ 3.44Å; D293-R327 IonicContact OD2-NE 2.82Å; D293-R327 IonicContact OD2-NH2 2.6Å; D293-R327 PolarHBondContact OD2-NH2 2.8Å; V319-R327 PolarHBondContact N-O 2.9Å; V319-R327 PolarHBondContact O-N 2.92Å; I321-R327 HydrophobicContact CD1-CB 3.89Å; I321-R327 HydrophobicContact CG1-CB 3.92Å; R327-R335 HydrophobicContact CG-CB 4.23Å; R327-R335 HydrophobicContact CG-CG 4.49Å; R327-I336 CarbonylContact C-O 3.5Å; R327-I336 WeakPolarHBondContact CA-O 3.47Å; R327-I337 HydrophobicContact CG-CG1 4.12Å
328Y98.9Very high98.7Very high1 Ų157.3 Ų57.30%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-96137.8179.9-67.2-98.9000110.1L311 N312 A315 E317 K318 D326 R335 I336 L338L311-Y328 HydrophobicContact CB-CD1 3.99Å; L311-Y328 HydrophobicContact CB-CE1 3.9Å; L311-Y328 HydrophobicContact CB-CG 4.39Å; L311-Y328 HydrophobicContact CD1-CD2 4.4Å; L311-Y328 HydrophobicContact CD1-CE2 4.46Å; L311-Y328 HydrophobicContact CD2-CG 4.43Å; N312-Y328 WeakPolarHBondContact OD1-CE1 3.32Å; N312-Y328 PolarHBondContact OD1-OH 2.94Å; A315-Y328 HydrophobicContact CB-CD1 3.7Å; A315-Y328 HydrophobicContact CB-CG 4.43Å; E317-Y328 CarbonylContact O-C 3.47Å; E317-Y328 WeakPolarHBondContact O-CA 3.5Å; K318-Y328 HydrophobicContact CB-CD1 4.04Å; K318-Y328 HydrophobicContact CB-CE1 3.95Å; K318-Y328 HydrophobicContact CD-CE1 3.67Å; K318-Y328 HydrophobicContact CD-CE2 4.46Å; K318-Y328 WeakPolarHBondContact CD-OH 3.39Å; K318-Y328 VanDerWaalsContact CE-OH 3.22Å; K318-Y328 WeakPolarHBondContact CE-OH 3.47Å; K318-Y328 HydrophobicContact CG-CD1 4.11Å; K318-Y328 HydrophobicContact CG-CE1 3.7Å; K318-Y328 HydrophobicContact CG-CE2 4.34Å; K318-Y328 PolarHBondContact NZ-OH 2.68Å; K318-Y328 VanDerWaalsContact NZ-OH 3.07Å; D326-Y328 HydrophobicContact CB-CD2 4.28Å; D326-Y328 HydrophobicContact CB-CE2 3.62Å; Y328-R335 CarbonylContact O-C 3.56Å; Y328-R335 WeakPolarHBondContact O-CA 3.23Å; Y328-R335 WeakPolarHBondContact O-CB 3.4Å; Y328-I336 PolarHBondContact N-O 2.94Å; Y328-I336 PolarHBondContact O-N 3.22Å; Y328-L338 HydrophobicContact CD2-CB 4.19Å; Y328-L338 HydrophobicContact CE2-CB 3.84Å; Y328-L338 HydrophobicContact CE2-CD2 3.94Å
329R98.9Very high98.8Very high121 Ų12152.9 Ų52.946%0.45726%0.258SS..EExtended strand (participates in β ladder)trans-103.8125.1166.9-172.9-179.3176.1143.61.2109.1A315 V316 E317A315-R329 CarbonylContact C-O 3.58Å; A315-R329 WeakPolarHBondContact CA-O 3.45Å; A315-R329 WeakPolarHBondContact CB-O 3.4Å; V316-R329 HydrophobicContact CG2-CB 3.98Å; V316-R329 HydrophobicContact CG2-CG 3.82Å; V316-R329 VanDerWaalsContact CG2-O 3.3Å; V316-R329 WeakPolarHBondContact CG2-O 3.35Å; V316-R329 PolarHBondContact N-O 3.24Å; E317-R329 HydrophobicContact CB-CB 3.95Å; E317-R329 PolarHBondContact O-N 2.99Å
330L98.9Very high98.7Very high5 Ų550.1 Ų50.13%0.02624%0.241CC..PPolyproline II helixtrans-89165.4179.3-55.3-175.5000111.5F287 W310 L311 A315 N332 G333 R334 I336F287-L330 HydrophobicContact CB-CD1 4.28Å; F287-L330 WeakPolarHBondContact O-CD1 3.3Å; W310-L330 HydrophobicContact CZ3-CD2 4.07Å; L311-L330 HydrophobicContact CD2-CD2 3.94Å; A315-L330 HydrophobicContact CB-CD2 4.3Å; L330-N332 WeakPolarHBondContact CB-OD1 3.48Å; L330-N332 PolarHBondContact O-N 3.44Å; L330-G333 PolarHBondContact O-N 3.29Å; L330-R334 PolarHBondContact N-O 3.18Å; L330-I336 HydrophobicContact CD1-CD1 4.47Å; L330-I336 HydrophobicContact CD1-CG1 3.94Å; L330-I336 HydrophobicContact CG-CG1 4.26Å
331K98.6Very high98.7Very high160 Ų16048.9 Ų48.970%0.69623%0.232SC*.THydrogen-bonded Turntrans-58.1-29.1176.3-67.9173.6-176165.60113.1V316 G333V316-K331 HydrophobicContact CG1-CB 4.42Å; V316-K331 HydrophobicContact CG1-CG 3.68Å; K331-G333 PolarHBondContact O-N 3.09Å
332N98.3Very high98.7Very high67 Ų6744.2 Ų44.236%0.35821%0.209SC..THydrogen-bonded Turntrans-76-1.3176.668.416.4000113.8E288 L330 R334E288-N332 PolarHBondContact O-ND2 2.83Å; E288-N332 VanDerWaalsContact O-ND2 3.16Å; L330-N332 WeakPolarHBondContact CB-OD1 3.48Å; L330-N332 PolarHBondContact O-N 3.44Å; N332-R334 VanDerWaalsContact C-N 3.34Å; N332-R334 PolarHBondContact ND2-NH2 3.19Å; N332-R334 VanDerWaalsContact ND2-NH2 3.16Å; N332-R334 PolarHBondContact O-N 3.29Å; N332-R334 WeakPolarHBondContact OD1-CB 3.44Å; N332-R334 PolarHBondContact OD1-N 3.21Å
333G98.5Very high98.6Very high32 Ų3242.1 Ų42.133%0.3320%0.199SC..SBendtrans86.9-11.5178.500000115.6L330 K331L330-G333 PolarHBondContact O-N 3.29Å; K331-G333 PolarHBondContact O-N 3.09Å
334R98.8Very high98.6Very high84 Ų8438 Ų3832%0.31717%0.171SC..  trans-77.9161.8174.1-67.3-170.1-73.1-83.37.1111.6E288 M290 D292 L330 N332E288-R334 PolarHBondContact O-NH2 3.4Å; M290-R334 VanDerWaalsContact O-CD 3.23Å; M290-R334 WeakPolarHBondContact O-CD 3.38Å; M290-R334 PolarHBondContact O-NE 3.44Å; D292-R334 HydrophobicContact CB-CB 4.4Å; D292-R334 HydrophobicContact CB-CG 4.1Å; D292-R334 VanDerWaalsContact OD1-CA 3.27Å; D292-R334 WeakPolarHBondContact OD1-CA 3.32Å; L330-R334 PolarHBondContact N-O 3.18Å; N332-R334 VanDerWaalsContact C-N 3.34Å; N332-R334 PolarHBondContact ND2-NH2 3.19Å; N332-R334 VanDerWaalsContact ND2-NH2 3.16Å; N332-R334 PolarHBondContact O-N 3.29Å; N332-R334 WeakPolarHBondContact OD1-CB 3.44Å; N332-R334 PolarHBondContact OD1-N 3.21Å
335R98.9Very high98.6Very high64 Ų6436.5 Ų36.524%0.24216%0.164CC..EExtended strand (participates in β ladder)trans-113.2153.7175-57.186.648.2-175.2-8.6113.5D292 D293 R327 Y328D292-R335 VanDerWaalsContact CG-NH1 3.27Å; D292-R335 WeakPolarHBondContact OD1-CD 3.44Å; D292-R335 IonicContact OD1-CZ 2.96Å; D292-R335 PolarHBondContact OD1-N 3.45Å; D292-R335 IonicContact OD1-NE 2.89Å; D292-R335 PolarHBondContact OD1-NE 3.04Å; D292-R335 IonicContact OD1-NH1 2.7Å; D292-R335 PolarHBondContact OD1-NH1 3.49Å; D292-R335 VanDerWaalsContact OD1-NH1 3.16Å; D292-R335 IonicContact OD1-NH2 2.75Å; D292-R335 PolarHBondContact OD1-NH2 2.83Å; D292-R335 IonicContact OD2-CZ 3.7Å; D292-R335 IonicContact OD2-NE 3.55Å; D292-R335 IonicContact OD2-NH1 3.89Å; D292-R335 PolarHBondContact OD2-NH1 3.2Å; D292-R335 IonicContact OD2-NH2 3.41Å; D292-R335 PolarHBondContact OD2-NH2 3.4Å; D293-R335 WeakPolarHBondContact CA-O 3.48Å; D293-R335 VanDerWaalsContact CG-NH2 3.35Å; D293-R335 PolarHBondContact N-O 3.18Å; D293-R335 VanDerWaalsContact OD1-CB 3.23Å; D293-R335 WeakPolarHBondContact OD1-CB 3.06Å; D293-R335 IonicContact OD1-CZ 3.15Å; D293-R335 IonicContact OD1-NE 3.51Å; D293-R335 PolarHBondContact OD1-NE 2.58Å; D293-R335 IonicContact OD1-NH2 2.74Å; D293-R335 IonicContact OD2-CZ 3.54Å; D293-R335 IonicContact OD2-NE 3.88Å; D293-R335 PolarHBondContact OD2-NE 2.75Å; D293-R335 IonicContact OD2-NH2 3.08Å; D293-R335 PolarHBondContact OD2-NH2 3.29Å; R327-R335 HydrophobicContact CG-CB 4.23Å; R327-R335 HydrophobicContact CG-CG 4.49Å; Y328-R335 CarbonylContact O-C 3.56Å; Y328-R335 WeakPolarHBondContact O-CA 3.23Å; Y328-R335 WeakPolarHBondContact O-CB 3.4Å
336I98.9Very high98.6Very high1 Ų136.4 Ų36.41%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-122.7135.5170.6-56.7-61.3000108.2F287 M290 A294 V296 L311 R327 Y328 L330F287-I336 HydrophobicContact CD1-CD1 4.28Å; F287-I336 HydrophobicContact CD1-CG1 4.18Å; F287-I336 HydrophobicContact CD1-CG2 4.19Å; F287-I336 HydrophobicContact CE1-CG2 4.14Å; M290-I336 HydrophobicContact CB-CD1 3.78Å; M290-I336 HydrophobicContact CG-CD1 4.39Å; M290-I336 HydrophobicContact SD-CD1 3.78Å; A294-I336 HydrophobicContact CB-CD1 4.14Å; V296-I336 HydrophobicContact CB-CG2 4.46Å; V296-I336 HydrophobicContact CG2-CG2 3.86Å; L311-I336 HydrophobicContact CD1-CG2 4.47Å; L311-I336 HydrophobicContact CD2-CB 4.49Å; L311-I336 HydrophobicContact CD2-CG1 4.42Å; R327-I336 CarbonylContact C-O 3.5Å; R327-I336 WeakPolarHBondContact CA-O 3.47Å; Y328-I336 PolarHBondContact N-O 2.94Å; Y328-I336 PolarHBondContact O-N 3.22Å; L330-I336 HydrophobicContact CD1-CD1 4.47Å; L330-I336 HydrophobicContact CD1-CG1 3.94Å; L330-I336 HydrophobicContact CG-CG1 4.26Å
337I98.9Very high98.5Very high27 Ų2737 Ų3714%0.13817%0.166CC..EExtended strand (participates in β ladder)trans-104.1110.9172.2-61.5168000107.4T207 D293 A294 I295 V296 V325 D326 R327 L339T207-I337 HydrophobicContact CG2-CG2 4.23Å; D293-I337 HydrophobicContact CB-CD1 4.09Å; A294-I337 PolarHBondContact O-N 3.45Å; I295-I337 CarbonylContact C-O 3.59Å; I295-I337 WeakPolarHBondContact CA-O 3.41Å; I295-I337 HydrophobicContact CG1-CB 4.1Å; I295-I337 HydrophobicContact CG1-CD1 4.2Å; I295-I337 HydrophobicContact CG1-CG2 4.35Å; V296-I337 PolarHBondContact N-O 2.7Å; V325-I337 HydrophobicContact CG1-CG2 4.09Å; D326-I337 CarbonylContact O-C 3.56Å; D326-I337 WeakPolarHBondContact O-CA 3.26Å; R327-I337 HydrophobicContact CG-CG1 4.12Å; I337-L339 HydrophobicContact CG2-CD2 3.91Å
338L98.9Very high98.4Very high0 Ų033.1 Ų33.10%015%0.152CC..EExtended strand (participates in β ladder)trans-99.4132.1178-176.769.1000109.7V296 I306 V308 L311 D326 Y328V296-L338 HydrophobicContact CB-CD1 4.46Å; I306-L338 HydrophobicContact CG2-CD1 4.44Å; V308-L338 HydrophobicContact CB-CD2 4.35Å; V308-L338 HydrophobicContact CG1-CD2 3.66Å; V308-L338 HydrophobicContact CG2-CD1 4.36Å; V308-L338 HydrophobicContact CG2-CD2 3.87Å; L311-L338 HydrophobicContact CD1-CD1 4.5Å; L311-L338 HydrophobicContact CD1-CD2 4.16Å; D326-L338 PolarHBondContact N-O 3.35Å; D326-L338 VanDerWaalsContact N-O 3.08Å; D326-L338 PolarHBondContact O-N 2.79Å; Y328-L338 HydrophobicContact CD2-CB 4.19Å; Y328-L338 HydrophobicContact CE2-CB 3.84Å; Y328-L338 HydrophobicContact CE2-CD2 3.94Å
339L98.9Very high98.4Very high0 Ų034 Ų340%016%0.158CC..EExtended strand (participates in β ladder)trans-103.1139.8178.7-51.5-170.8000111.2I203 A206 T207 I295 V296 C297 V325 I337 E341 G342 V345I203-L339 HydrophobicContact CG1-CD1 4.31Å; A206-L339 HydrophobicContact CB-CD1 3.92Å; A206-L339 HydrophobicContact CB-CD2 3.75Å; A206-L339 HydrophobicContact CB-CG 4.42Å; T207-L339 HydrophobicContact CG2-CD1 4.37Å; T207-L339 HydrophobicContact CG2-CD2 3.83Å; I295-L339 HydrophobicContact CG2-CD1 3.82Å; I295-L339 HydrophobicContact CG2-CG 4.05Å; V296-L339 PolarHBondContact O-N 3.4Å; V296-L339 VanDerWaalsContact O-N 3.11Å; C297-L339 HydrophobicContact CB-CB 3.86Å; C297-L339 HydrophobicContact CB-CD1 4Å; C297-L339 HydrophobicContact CB-CG 4.12Å; V325-L339 HydrophobicContact CG1-CD2 4.12Å; V325-L339 HydrophobicContact CG2-CD2 4.31Å; I337-L339 HydrophobicContact CG2-CD2 3.91Å; L339-E341 PolarHBondContact O-N 3.14Å; L339-G342 PolarHBondContact O-N 3.02Å; L339-V345 HydrophobicContact CB-CG2 3.89Å; L339-V345 HydrophobicContact CD1-CG2 3.78Å; L339-V345 HydrophobicContact CG-CG2 4.5Å
340A98.4Very high98.4Very high0 Ų028.6 Ų28.60%014%0.14CC..G310 helixtrans49.630.1175.500000114.7Q324 G342 R343Q324-A340 HydrophobicContact CB-CB 4.43Å; Q324-A340 PolarHBondContact O-N 2.61Å; A340-G342 PolarHBondContact O-N 3.33Å; A340-G342 VanDerWaalsContact O-N 3.1Å; A340-R343 WeakPolarHBondContact O-CB 3.46Å; A340-R343 PolarHBondContact O-N 2.72Å
341E98.3Very high98.4Very high68 Ų6831.4 Ų31.432%0.31815%0.154SC..G310 helixtrans54.230.6-178.5-55.1178.8-130.500112.9F82 L339 R343F82-E341 HydrophobicContact CE2-CB 4.34Å; F82-E341 HydrophobicContact CE2-CG 4.38Å; F82-E341 VanDerWaalsContact CZ-OE1 3.23Å; F82-E341 WeakPolarHBondContact CZ-OE1 3.46Å; L339-E341 PolarHBondContact O-N 3.14Å; E341-R343 VanDerWaalsContact C-N 3.31Å; E341-R343 PolarHBondContact O-N 2.93Å
342G98.1Very high98.4Very high0 Ų024.1 Ų24.10%012%0.123CC..G310 helixtrans803.5-177.600000115.3N298 D303 L339 A340N298-G342 WeakPolarHBondContact CB-O 3.47Å; N298-G342 PolarHBondContact ND2-O 2.74Å; D303-G342 WeakPolarHBondContact CA-O 3.42Å; L339-G342 PolarHBondContact O-N 3.02Å; A340-G342 PolarHBondContact O-N 3.33Å; A340-G342 VanDerWaalsContact O-N 3.1Å
343R97.8Very high98.4Very high31 Ų3122 Ų2212%0.11711%0.111CC..SBendtrans-81.8175.4169.1-67.6172.2172.176.6-10.1111.2I81 F82 D107 D303 A340 E341 V345I81-R343 VanDerWaalsContact CD1-CZ 3.47Å; I81-R343 VanDerWaalsContact CD1-NE 3.31Å; F82-R343 HydrophobicContact CD2-CB 4.37Å; D107-R343 IonicContact OD1-NH2 2.65Å; D107-R343 PolarHBondContact OD1-NH2 3.39Å; D303-R343 HydrophobicContact CB-CG 3.67Å; D303-R343 IonicContact OD2-CZ 2.79Å; D303-R343 VanDerWaalsContact OD2-CZ 3.26Å; D303-R343 IonicContact OD2-NE 2.91Å; D303-R343 IonicContact OD2-NH1 3.89Å; D303-R343 PolarHBondContact OD2-NH1 2.87Å; D303-R343 IonicContact OD2-NH2 3.6Å; A340-R343 WeakPolarHBondContact O-CB 3.46Å; A340-R343 PolarHBondContact O-N 2.72Å; E341-R343 VanDerWaalsContact C-N 3.31Å; E341-R343 PolarHBondContact O-N 2.93Å; R343-V345 PolarHBondContact O-N 2.98Å
344L97.7Very high98.4Very high11 Ų1122.5 Ų22.56%0.05811%0.109CC..BIsolated β-bridgetrans-48.3106179.6-73.5159.7000113.2I299 G300 N346 L347 G348I299-L344 VanDerWaalsContact O-CD2 3.28Å; I299-L344 WeakPolarHBondContact O-CD2 3.24Å; G300-L344 WeakPolarHBondContact O-CD2 3.48Å; G300-L344 WeakPolarHBondContact O-CG 3.41Å; L344-N346 PolarHBondContact O-N 3.04Å; L344-L347 HydrophobicContact CB-CB 4.48Å; L344-L347 HydrophobicContact CB-CD1 4.32Å; L344-L347 HydrophobicContact CD1-CD1 4.07Å; L344-L347 PolarHBondContact O-N 2.88Å; L344-G348 WeakPolarHBondContact O-CA 3.49Å; L344-G348 PolarHBondContact O-N 3.47Å
345V98.8Very high98.4Very high0 Ų019.5 Ų19.50%010%0.101CC..Hα-helixtrans-68.5-36.1-172.668.60000113.9L199 C297 N298 I299 L339 R343 L347 C349L199-V345 HydrophobicContact CD1-CG1 3.84Å; C297-V345 HydrophobicContact CB-CB 3.9Å; C297-V345 HydrophobicContact CB-CG1 4.23Å; C297-V345 HydrophobicContact CB-CG2 3.82Å; N298-V345 WeakPolarHBondContact O-CB 3.31Å; N298-V345 WeakPolarHBondContact O-CG1 3.22Å; N298-V345 PolarHBondContact O-N 2.88Å; I299-V345 HydrophobicContact CB-CG1 4.09Å; I299-V345 HydrophobicContact CD1-CG1 4.41Å; I299-V345 HydrophobicContact CG1-CG1 4.33Å; L339-V345 HydrophobicContact CB-CG2 3.89Å; L339-V345 HydrophobicContact CD1-CG2 3.78Å; L339-V345 HydrophobicContact CG-CG2 4.5Å; R343-V345 PolarHBondContact O-N 2.98Å; V345-L347 VanDerWaalsContact C-N 3.29Å; V345-L347 PolarHBondContact O-N 3.45Å; V345-C349 HydrophobicContact CG2-CB 4.22Å; V345-C349 WeakPolarHBondContact O-CA 3.39Å; V345-C349 VanDerWaalsContact O-CB 3.31Å; V345-C349 WeakPolarHBondContact O-CB 3.46Å; V345-C349 PolarHBondContact O-N 3.12Å
346N98.5Very high98.4Very high5 Ų518.6 Ų18.63%0.02710%0.099CC..Hα-helixtrans-65.4-34.5-178.660.5-26.3000111.9S198 I299 L344 A350 M351 G352 H353S198-N346 WeakPolarHBondContact OG-CB 3.45Å; S198-N346 PolarHBondContact OG-ND2 3.47Å; I299-N346 HydrophobicContact CD1-CB 3.79Å; I299-N346 HydrophobicContact CG1-CB 4.25Å; L344-N346 PolarHBondContact O-N 3.04Å; N346-A350 CarbonylContact O-C 3.47Å; N346-A350 WeakPolarHBondContact O-CA 3.45Å; N346-A350 VanDerWaalsContact O-CB 3.3Å; N346-A350 WeakPolarHBondContact O-CB 3.46Å; N346-A350 PolarHBondContact O-N 3.32Å; N346-M351 PolarHBondContact O-N 3.41Å; N346-G352 WeakPolarHBondContact O-CA 3.38Å; N346-G352 PolarHBondContact O-N 3Å; N346-H353 PolarHBondContact ND2-NE2 3.16Å
347L97.4Very high98.3Very high16 Ų1619 Ų198%0.08410%0.102CC..Hα-helixtrans-92.6-37.9178.1-71.8152.6000112.2H55 T57 L344 V345 G352H55-L347 HydrophobicContact CB-CD2 4.3Å; H55-L347 VanDerWaalsContact NE2-CD1 3.3Å; H55-L347 WeakPolarHBondContact NE2-CD1 3.49Å; T57-L347 HydrophobicContact CG2-CD2 4.06Å; L344-L347 HydrophobicContact CB-CB 4.48Å; L344-L347 HydrophobicContact CB-CD1 4.32Å; L344-L347 HydrophobicContact CD1-CD1 4.07Å; L344-L347 PolarHBondContact O-N 2.88Å; V345-L347 VanDerWaalsContact C-N 3.29Å; V345-L347 PolarHBondContact O-N 3.45Å; L347-G352 VanDerWaalsContact CD2-CA 3.49Å
348G96.8Very high98.3Very high2 Ų218.8 Ų18.82%0.02110%0.1CC..Hα-helixtrans-70.7-41.6-179.600000112.9K103 L344K103-G348 PolarHBondContact NZ-O 2.93Å; L344-G348 WeakPolarHBondContact O-CA 3.49Å; L344-G348 PolarHBondContact O-N 3.47Å
349C98.6Very high98.3Very high20 Ų2018.8 Ų18.814%0.13510%0.1CC..SBendtrans-106.3-8.7-177.2-61.60000114.3G202 R205 A206 V345G202-C349 WeakPolarHBondContact O-CB 3.36Å; R205-C349 WeakPolarHBondContact CB-O 3.28Å; A206-C349 HydrophobicContact CB-CB 4.09Å; V345-C349 HydrophobicContact CG2-CB 4.22Å; V345-C349 WeakPolarHBondContact O-CA 3.39Å; V345-C349 VanDerWaalsContact O-CB 3.31Å; V345-C349 WeakPolarHBondContact O-CB 3.46Å; V345-C349 PolarHBondContact O-N 3.12Å
350A98.6Very high98.3Very high8 Ų819 Ų197%0.06610%0.101CC..SBendtrans-138.7-141.1174.200000111.3D201 N346D201-A350 HydrophobicContact CB-CB 4.16Å; N346-A350 CarbonylContact O-C 3.47Å; N346-A350 WeakPolarHBondContact O-CA 3.45Å; N346-A350 VanDerWaalsContact O-CB 3.3Å; N346-A350 WeakPolarHBondContact O-CB 3.46Å; N346-A350 PolarHBondContact O-N 3.32Å
351M98.4Very high98.3Very high64 Ų6419 Ų1932%0.31510%0.101SC..  trans-112.66.6-172.3-54.1-56.1-72.800113.1Q85 R205 N346Q85-M351 HydrophobicContact CG-CE 3.78Å; Q85-M351 PolarHBondContact NE2-O 3.25Å; R205-M351 VanDerWaalsContact NH1-CG 3.3Å; N346-M351 PolarHBondContact O-N 3.41Å
352G98.3Very high98.4Very high6 Ų615.8 Ų15.86%0.0629%0.086CC..  trans73.7-153.7-169.700000112.4S198 N346 L347S198-G352 WeakPolarHBondContact CB-O 3.23Å; N346-G352 WeakPolarHBondContact O-CA 3.38Å; N346-G352 PolarHBondContact O-N 3Å; L347-G352 VanDerWaalsContact CD2-CA 3.49Å
353H98.6Very high98.4Very high22 Ų2215.9 Ų15.910%0.1029%0.087CC..SBendtrans-74.5146.8-178.1-68.6178.6000111.6D190 G194 C195 S198 N346 V357 M358D190-H353 PolarHBondContact O-CE1 3.02Å; D190-H353 IonicContact OD1-CE1 3.23Å; D190-H353 PolarHBondContact OD1-CE1 3.46Å; D190-H353 IonicContact OD1-ND1 3.33Å; D190-H353 PolarHBondContact OD1-ND1 3.08Å; G194-H353 PolarHBondContact O-CD2 2.94Å; C195-H353 PolarHBondContact N-NE2 2.79Å; C195-H353 PolarHBondContact SG-NE2 3.08Å; S198-H353 PolarHBondContact OG-CD2 3.45Å; S198-H353 PolarHBondContact OG-NE2 3.26Å; N346-H353 PolarHBondContact ND2-NE2 3.16Å; H353-V357 HydrophobicContact CB-CG1 3.76Å; H353-M358 HydrophobicContact CB-CG 3.81Å; H353-M358 HydrophobicContact CB-SD 3.47Å; H353-M358 WeakPolarHBondContact CB-SD 3.3Å
354P98.4Very high98.4Very high44 Ų4414.4 Ų14.429%0.2868%0.081SC..  trans-66.6152.4176.926.4-32.9000112.1F356 V357 M358P354-F356 VanDerWaalsContact C-N 3.28Å; P354-F356 PolarHBondContact O-N 2.98Å; P354-F356 VanDerWaalsContact O-N 3.11Å; P354-V357 HydrophobicContact CG-CG1 4.28Å; P354-V357 WeakPolarHBondContact O-CG1 2.93Å; P354-V357 PolarHBondContact O-N 3.48Å; P354-M358 PolarHBondContact O-N 2.69Å
355S98.6Very high98.5Very high21 Ų2113.9 Ų13.915%0.1478%0.078CC..Hα-helixtrans-58.4-34.7-168.3-350000114.5M29 E59 V357 M358 S359M29-S355 WeakPolarHBondContact CG-O 3.21Å; E59-S355 PolarHBondContact OE1-OG 2.82Å; S355-V357 PolarHBondContact O-N 2.97Å; S355-M358 PolarHBondContact O-N 3.43Å; S355-S359 PolarHBondContact O-N 2.87Å
356F98.8Very high98.5Very high44 Ų4413.9 Ų13.919%0.1938%0.078CC..Hα-helixtrans-61-42.8-179.6-173.4-89.8000113.5E28 P30 P354 S359 N360 H398 K401 L402E28-F356 VanDerWaalsContact O-CA 3.24Å; E28-F356 WeakPolarHBondContact O-CA 3.39Å; E28-F356 WeakPolarHBondContact O-CD2 3.43Å; P30-F356 HydrophobicContact CG-CE2 4.17Å; P354-F356 VanDerWaalsContact C-N 3.28Å; P354-F356 PolarHBondContact O-N 2.98Å; P354-F356 VanDerWaalsContact O-N 3.11Å; F356-S359 WeakPolarHBondContact O-CB 3.33Å; F356-S359 PolarHBondContact O-N 3.18Å; F356-N360 PolarHBondContact O-ND2 3.24Å; F356-N360 VanDerWaalsContact O-ND2 3.1Å; F356-H398 HydrophobicContact CE2-CB 4.45Å; F356-H398 HydrophobicContact CZ-CB 3.9Å; F356-K401 HydrophobicContact CD2-CG 4.3Å; F356-K401 HydrophobicContact CE2-CB 4.1Å; F356-K401 HydrophobicContact CE2-CG 3.84Å; F356-L402 HydrophobicContact CE1-CD1 3.95Å; F356-L402 HydrophobicContact CE1-CD2 4.38Å; F356-L402 HydrophobicContact CE1-CG 4.34Å; F356-L402 HydrophobicContact CE2-CD2 4.14Å; F356-L402 HydrophobicContact CE2-CG 4.15Å; F356-L402 HydrophobicContact CZ-CD1 3.61Å; F356-L402 HydrophobicContact CZ-CD2 3.86Å; F356-L402 HydrophobicContact CZ-CG 3.61Å
357V98.3Very high98.5Very high11 Ų1114.6 Ų14.67%0.0678%0.082CC..Hα-helixtrans-73.7-38.6178.876.40000110.6F189 D190 H353 P354 S355 S359 N360F189-V357 HydrophobicContact CB-CG2 3.98Å; F189-V357 WeakPolarHBondContact O-CG2 3.18Å; D190-V357 HydrophobicContact CB-CG2 4.44Å; H353-V357 HydrophobicContact CB-CG1 3.76Å; P354-V357 HydrophobicContact CG-CG1 4.28Å; P354-V357 WeakPolarHBondContact O-CG1 2.93Å; P354-V357 PolarHBondContact O-N 3.48Å; S355-V357 PolarHBondContact O-N 2.97Å; V357-S359 PolarHBondContact O-N 3.07Å; V357-N360 WeakPolarHBondContact O-CB 3.37Å; V357-N360 PolarHBondContact O-N 3.02Å
358M98.7Very high98.6Very high22 Ų2213.9 Ų13.911%0.1088%0.078CC..Hα-helixtrans-62.4-28.3175-64-47.4-61.500112.8M29 E59 D190 H353 P354 S355 N360 S361 F362M29-M358 HydrophobicContact CE-CB 4.21Å; E59-M358 HydrophobicContact CB-CB 3.89Å; E59-M358 HydrophobicContact CB-CG 4.12Å; E59-M358 HydrophobicContact CG-CB 3.83Å; E59-M358 HydrophobicContact CG-CG 3.87Å; D190-M358 VanDerWaalsContact OD2-SD 3.39Å; H353-M358 HydrophobicContact CB-CG 3.81Å; H353-M358 HydrophobicContact CB-SD 3.47Å; H353-M358 WeakPolarHBondContact CB-SD 3.3Å; P354-M358 PolarHBondContact O-N 2.69Å; S355-M358 PolarHBondContact O-N 3.43Å; M358-N360 PolarHBondContact O-N 2.91Å; M358-S361 PolarHBondContact O-N 3.29Å; M358-F362 HydrophobicContact CB-CD2 4.26Å; M358-F362 HydrophobicContact CB-CE2 4.14Å; M358-F362 HydrophobicContact CE-CD1 4.16Å; M358-F362 HydrophobicContact CE-CE1 3.41Å; M358-F362 VanDerWaalsContact CE-CE1 3.41Å; M358-F362 HydrophobicContact CE-CE2 3.89Å; M358-F362 HydrophobicContact CE-CZ 3.26Å; M358-F362 VanDerWaalsContact O-CB 3.29Å; M358-F362 WeakPolarHBondContact O-CB 3.41Å; M358-F362 WeakPolarHBondContact O-CG 3.42Å; M358-F362 PolarHBondContact O-N 3.18Å
359S98.9Very high98.7Very high0 Ų013.8 Ų13.80%08%0.077CC..Hα-helixtrans-58.8-34.6171.8-175.40000112.6M29 G31 S355 F356 V357 T363 H398M29-S359 VanDerWaalsContact C-OG 3.24Å; M29-S359 VanDerWaalsContact CA-OG 3.31Å; M29-S359 WeakPolarHBondContact CA-OG 3.39Å; G31-S359 PolarHBondContact N-OG 3.12Å; S355-S359 PolarHBondContact O-N 2.87Å; F356-S359 WeakPolarHBondContact O-CB 3.33Å; F356-S359 PolarHBondContact O-N 3.18Å; V357-S359 PolarHBondContact O-N 3.07Å; S359-T363 WeakPolarHBondContact O-CB 3.21Å; S359-T363 PolarHBondContact O-N 3.12Å; S359-T363 PolarHBondContact O-OG1 3.38Å; S359-H398 VanDerWaalsContact C-NE2 3.35Å; S359-H398 WeakPolarHBondContact CB-NE2 3.39Å; S359-H398 PolarHBondContact OG-NE2 3.44Å
360N98.8Very high98.7Very high5 Ų513.7 Ų13.73%0.0278%0.075CC..Hα-helixtrans-68.1-52.2177.3-68.9-98.8000109.9T185 F356 V357 M358 F362 T363 N364 V394 H398T185-N360 VanDerWaalsContact O-CB 3.26Å; T185-N360 WeakPolarHBondContact O-CB 3.37Å; F356-N360 PolarHBondContact O-ND2 3.24Å; F356-N360 VanDerWaalsContact O-ND2 3.1Å; V357-N360 WeakPolarHBondContact O-CB 3.37Å; V357-N360 PolarHBondContact O-N 3.02Å; M358-N360 PolarHBondContact O-N 2.91Å; N360-F362 PolarHBondContact O-N 3.24Å; N360-T363 PolarHBondContact O-N 3.41Å; N360-N364 PolarHBondContact O-N 3.4Å; N360-N364 VanDerWaalsContact O-N 3.16Å; N360-N364 PolarHBondContact O-ND2 2.87Å; N360-V394 HydrophobicContact CB-CG1 4.19Å; N360-H398 PolarHBondContact N-NE2 3.11Å; N360-H398 PolarHBondContact ND2-CD2 3.12Å; N360-H398 PolarHBondContact OD1-ND1 3.48Å
361S98.6Very high98.7Very high0 Ų014.3 Ų14.30%08%0.076CC..Hα-helixtrans-56.6-50.5178.5-51.50000112.2E156 D190 M358 T363 N364 Q365E156-S361 VanDerWaalsContact OE1-CB 3.32Å; E156-S361 WeakPolarHBondContact OE1-CB 3.41Å; D190-S361 VanDerWaalsContact CB-OG 3.28Å; D190-S361 WeakPolarHBondContact CB-OG 3.42Å; D190-S361 WeakPolarHBondContact OD2-CB 3.4Å; D190-S361 PolarHBondContact OD2-OG 3.12Å; M358-S361 PolarHBondContact O-N 3.29Å; S361-T363 PolarHBondContact O-N 2.97Å; S361-N364 WeakPolarHBondContact O-CA 3.28Å; S361-N364 VanDerWaalsContact O-CB 3.31Å; S361-N364 WeakPolarHBondContact O-CB 3.29Å; S361-N364 PolarHBondContact O-N 2.84Å; S361-N364 VanDerWaalsContact O-N 3.08Å; S361-Q365 PolarHBondContact O-N 3.08Å
362F98.9Very high98.7Very high0 Ų011.3 Ų11.30%06%0.062CC..Hα-helixtrans-75-25.2-176.2-65.4-13.6000113.2M29 L32 L54 E59 L63 M358 N360 N364 Q365 V366M29-F362 HydrophobicContact CE-CD2 3.88Å; L32-F362 HydrophobicContact CD1-CB 3.94Å; L32-F362 HydrophobicContact CD1-CD2 4.48Å; L32-F362 HydrophobicContact CD2-CB 3.93Å; L32-F362 HydrophobicContact CG-CB 4.23Å; L54-F362 HydrophobicContact CD1-CE1 3.94Å; L54-F362 HydrophobicContact CD2-CE1 3.91Å; L54-F362 HydrophobicContact CD2-CZ 3.66Å; E59-F362 HydrophobicContact CB-CD2 4.43Å; E59-F362 HydrophobicContact CB-CE2 3.78Å; L63-F362 HydrophobicContact CB-CB 4.16Å; L63-F362 HydrophobicContact CB-CD2 3.75Å; L63-F362 HydrophobicContact CB-CE2 4.33Å; L63-F362 HydrophobicContact CB-CG 4.04Å; L63-F362 HydrophobicContact CD1-CB 4.16Å; L63-F362 HydrophobicContact CD2-CB 4.24Å; L63-F362 HydrophobicContact CD2-CD1 3.83Å; L63-F362 HydrophobicContact CD2-CD2 4.13Å; L63-F362 HydrophobicContact CD2-CE1 4.15Å; L63-F362 HydrophobicContact CD2-CE2 4.43Å; L63-F362 HydrophobicContact CD2-CG 3.81Å; L63-F362 HydrophobicContact CD2-CZ 4.43Å; L63-F362 HydrophobicContact CG-CB 4.41Å; L63-F362 HydrophobicContact CG-CG 4.36Å; M358-F362 HydrophobicContact CB-CD2 4.26Å; M358-F362 HydrophobicContact CB-CE2 4.14Å; M358-F362 HydrophobicContact CE-CD1 4.16Å; M358-F362 HydrophobicContact CE-CE1 3.41Å; M358-F362 VanDerWaalsContact CE-CE1 3.41Å; M358-F362 HydrophobicContact CE-CE2 3.89Å; M358-F362 HydrophobicContact CE-CZ 3.26Å; M358-F362 VanDerWaalsContact O-CB 3.29Å; M358-F362 WeakPolarHBondContact O-CB 3.41Å; M358-F362 WeakPolarHBondContact O-CG 3.42Å; M358-F362 PolarHBondContact O-N 3.18Å; N360-F362 PolarHBondContact O-N 3.24Å; F362-N364 VanDerWaalsContact C-N 3.32Å; F362-Q365 HydrophobicContact CD1-CG 4.42Å; F362-Q365 WeakPolarHBondContact O-CB 3.43Å; F362-Q365 PolarHBondContact O-N 3.12Å; F362-V366 WeakPolarHBondContact O-CG2 3.33Å; F362-V366 PolarHBondContact O-N 2.88Å
363T98.9Very high98.7Very high1 Ų112.4 Ų12.41%0.0066%0.064CC..Hα-helixtrans-64.7-40.8168-57.40000110.4G31 L32 M35 S359 N360 S361 V366 M367 V394G31-T363 VanDerWaalsContact CA-OG1 3.31Å; G31-T363 WeakPolarHBondContact CA-OG1 3.27Å; L32-T363 PolarHBondContact N-OG1 2.95Å; M35-T363 HydrophobicContact CG-CG2 3.89Å; M35-T363 HydrophobicContact SD-CG2 4.08Å; S359-T363 WeakPolarHBondContact O-CB 3.21Å; S359-T363 PolarHBondContact O-N 3.12Å; S359-T363 PolarHBondContact O-OG1 3.38Å; N360-T363 PolarHBondContact O-N 3.41Å; S361-T363 PolarHBondContact O-N 2.97Å; T363-V366 PolarHBondContact O-N 3.43Å; T363-M367 HydrophobicContact CG2-CE 3.93Å; T363-M367 WeakPolarHBondContact O-CG 3.42Å; T363-M367 PolarHBondContact O-N 2.94Å; T363-V394 HydrophobicContact CG2-CB 4.5Å; T363-V394 HydrophobicContact CG2-CG1 4.32Å; T363-V394 HydrophobicContact CG2-CG2 3.83Å
364N98.9Very high98.7Very high0 Ų013.9 Ų13.90%08%0.075CC..Hα-helixtrans-62-42.3172.3-73.8-77.2000111.7V180 S183 T185 N360 S361 F362 V366 M367 A368 L386V180-N364 HydrophobicContact CG1-CB 3.63Å; S183-N364 WeakPolarHBondContact CB-OD1 3.22Å; S183-N364 PolarHBondContact OG-OD1 3.37Å; T185-N364 PolarHBondContact OG1-ND2 3.18Å; N360-N364 PolarHBondContact O-N 3.4Å; N360-N364 VanDerWaalsContact O-N 3.16Å; N360-N364 PolarHBondContact O-ND2 2.87Å; S361-N364 WeakPolarHBondContact O-CA 3.28Å; S361-N364 VanDerWaalsContact O-CB 3.31Å; S361-N364 WeakPolarHBondContact O-CB 3.29Å; S361-N364 PolarHBondContact O-N 2.84Å; S361-N364 VanDerWaalsContact O-N 3.08Å; F362-N364 VanDerWaalsContact C-N 3.32Å; N364-V366 PolarHBondContact O-N 3.42Å; N364-M367 PolarHBondContact O-N 3Å; N364-A368 WeakPolarHBondContact O-CB 3.41Å; N364-A368 PolarHBondContact O-N 2.97Å; N364-L386 HydrophobicContact CB-CD1 3.88Å; N364-L386 WeakPolarHBondContact OD1-CD1 3.38Å
365Q98.8Very high98.7Very high0 Ų015.4 Ų15.40%08%0.078CC..Hα-helixtrans-57.3-48174.4-77.7-71.42.500112.4L63 L129 S154 E156 V180 S361 F362 M367 A368 Q369L63-Q365 HydrophobicContact CD1-CB 4.43Å; L129-Q365 HydrophobicContact CD1-CB 4.17Å; L129-Q365 HydrophobicContact CD1-CG 4.45Å; S154-Q365 PolarHBondContact OG-OE1 2.93Å; E156-Q365 VanDerWaalsContact OE2-CD 3.29Å; E156-Q365 WeakPolarHBondContact OE2-CG 3.45Å; E156-Q365 PolarHBondContact OE2-NE2 3.26Å; V180-Q365 HydrophobicContact CG1-CG 4.19Å; V180-Q365 HydrophobicContact CG2-CG 4.49Å; S361-Q365 PolarHBondContact O-N 3.08Å; F362-Q365 HydrophobicContact CD1-CG 4.42Å; F362-Q365 WeakPolarHBondContact O-CB 3.43Å; F362-Q365 PolarHBondContact O-N 3.12Å; Q365-M367 VanDerWaalsContact C-N 3.32Å; Q365-M367 PolarHBondContact O-N 2.73Å; Q365-A368 PolarHBondContact O-N 3.37Å; Q365-Q369 WeakPolarHBondContact O-CG 3.5Å; Q365-Q369 PolarHBondContact O-N 2.93Å
366V98.9Very high98.7Very high0 Ų016.5 Ų16.50%09%0.085CC..Hα-helixtrans-61.2-42.9177.3175.40000110.8L32 M35 L63 T66 L67 L70 F362 T363 N364 Q369 I370L32-V366 HydrophobicContact CD2-CG2 3.87Å; M35-V366 HydrophobicContact CB-CG1 4.27Å; M35-V366 HydrophobicContact CE-CB 4.44Å; M35-V366 HydrophobicContact CE-CG1 3.72Å; M35-V366 HydrophobicContact CG-CG1 4.27Å; L63-V366 HydrophobicContact CD1-CG2 3.56Å; T66-V366 HydrophobicContact CG2-CG2 4.03Å; L67-V366 HydrophobicContact CD2-CG2 4.06Å; L70-V366 HydrophobicContact CD2-CG1 3.53Å; F362-V366 WeakPolarHBondContact O-CG2 3.33Å; F362-V366 PolarHBondContact O-N 2.88Å; T363-V366 PolarHBondContact O-N 3.43Å; N364-V366 PolarHBondContact O-N 3.42Å; V366-Q369 PolarHBondContact O-N 2.92Å; V366-I370 HydrophobicContact CG1-CD1 3.91Å; V366-I370 HydrophobicContact CG1-CG1 4.48Å; V366-I370 VanDerWaalsContact O-CG1 3.28Å; V366-I370 WeakPolarHBondContact O-CG1 3.47Å; V366-I370 PolarHBondContact O-N 3.29Å
367M98.8Very high98.6Very high21 Ų2122.3 Ų22.310%0.10312%0.118CC..Hα-helixtrans-62.5-41.7176.2-72-177179.600112.3M35 T363 N364 Q365 I370 E371 L386 L390 A393 V394M35-M367 HydrophobicContact CE-CE 4.44Å; M35-M367 HydrophobicContact CE-CG 3.84Å; M35-M367 HydrophobicContact SD-CE 3.98Å; M35-M367 HydrophobicContact SD-CG 4.48Å; T363-M367 HydrophobicContact CG2-CE 3.93Å; T363-M367 WeakPolarHBondContact O-CG 3.42Å; T363-M367 PolarHBondContact O-N 2.94Å; N364-M367 PolarHBondContact O-N 3Å; Q365-M367 VanDerWaalsContact C-N 3.32Å; Q365-M367 PolarHBondContact O-N 2.73Å; M367-I370 PolarHBondContact O-N 3.39Å; M367-E371 PolarHBondContact O-N 3.01Å; M367-L386 HydrophobicContact CB-CD1 4.41Å; M367-L386 HydrophobicContact CB-CD2 4.4Å; M367-L390 HydrophobicContact SD-CB 3.81Å; M367-L390 HydrophobicContact SD-CD2 4.35Å; M367-L390 HydrophobicContact SD-CG 4.47Å; M367-A393 HydrophobicContact CE-CB 4.43Å; M367-V394 HydrophobicContact CE-CG2 3.83Å; M367-V394 HydrophobicContact SD-CG2 3.65Å
368A98.8Very high98.6Very high0 Ų027.3 Ų27.30%014%0.139CC..Hα-helixtrans-63.4-44.9176.900000111.9I178 V180 N364 Q365 I370 E371 L372 L386I178-A368 HydrophobicContact CB-CB 4.04Å; I178-A368 HydrophobicContact CD1-CB 4.06Å; I178-A368 HydrophobicContact CG2-CB 3.7Å; V180-A368 HydrophobicContact CG2-CB 3.83Å; N364-A368 WeakPolarHBondContact O-CB 3.41Å; N364-A368 PolarHBondContact O-N 2.97Å; Q365-A368 PolarHBondContact O-N 3.37Å; A368-I370 VanDerWaalsContact C-N 3.35Å; A368-I370 PolarHBondContact O-N 3.42Å; A368-E371 PolarHBondContact O-N 3.01Å; A368-L372 WeakPolarHBondContact O-CB 3.49Å; A368-L372 WeakPolarHBondContact O-CG 3.27Å; A368-L372 PolarHBondContact O-N 3.06Å; A368-L386 HydrophobicContact CB-CD2 4.3Å
369Q98.9Very high98.6Very high0 Ų027.2 Ų27.20%014%0.137CC..Hα-helixtrans-61.1-42.8175.6-71.1-67.1-50.700111.5L45 L67 I128 L129 S154 Q365 V366 W373L45-Q369 HydrophobicContact CD2-CB 4.36Å; L67-Q369 HydrophobicContact CD2-CB 4.39Å; L67-Q369 HydrophobicContact CD2-CG 4.36Å; I128-Q369 PolarHBondContact O-NE2 3.03Å; L129-Q369 HydrophobicContact CD1-CG 4.16Å; S154-Q369 PolarHBondContact OG-NE2 3.2Å; Q365-Q369 WeakPolarHBondContact O-CG 3.5Å; Q365-Q369 PolarHBondContact O-N 2.93Å; V366-Q369 PolarHBondContact O-N 2.92Å; Q369-W373 WeakPolarHBondContact O-CB 3.39Å; Q369-W373 PolarHBondContact O-N 3.04Å
370I98.8Very high98.5Very high18 Ų1831.4 Ų31.49%0.09217%0.165CC..Hα-helixtrans-63-48.3175.4-68.2167.2000110.8M35 Y39 P44 L45 L70 V366 M367 A368 W373 T374M35-I370 HydrophobicContact CE-CD1 3.76Å; Y39-I370 HydrophobicContact CD2-CD1 4.38Å; P44-I370 HydrophobicContact CB-CG1 4.49Å; P44-I370 HydrophobicContact CB-CG2 4.4Å; P44-I370 HydrophobicContact CG-CD1 4.16Å; P44-I370 HydrophobicContact CG-CG1 4.16Å; L45-I370 HydrophobicContact CD2-CB 4.5Å; L45-I370 HydrophobicContact CD2-CG1 3.91Å; L45-I370 HydrophobicContact CG-CG1 4.18Å; L70-I370 HydrophobicContact CD2-CD1 3.84Å; L70-I370 HydrophobicContact CD2-CG1 4.41Å; V366-I370 HydrophobicContact CG1-CD1 3.91Å; V366-I370 HydrophobicContact CG1-CG1 4.48Å; V366-I370 VanDerWaalsContact O-CG1 3.28Å; V366-I370 WeakPolarHBondContact O-CG1 3.47Å; V366-I370 PolarHBondContact O-N 3.29Å; M367-I370 PolarHBondContact O-N 3.39Å; A368-I370 VanDerWaalsContact C-N 3.35Å; A368-I370 PolarHBondContact O-N 3.42Å; I370-W373 PolarHBondContact O-N 2.89Å; I370-T374 HydrophobicContact CG2-CG2 4.32Å; I370-T374 WeakPolarHBondContact O-CB 3.5Å; I370-T374 WeakPolarHBondContact O-CG2 3.35Å; I370-T374 PolarHBondContact O-N 3.26Å; I370-T374 PolarHBondContact O-OG1 3.43Å
371E98.7Very high98.5Very high21 Ų2134.4 Ų34.410%0.09818%0.183CC..Hα-helixtrans-61.6-48.5-178.3-87.3-56.510200111.7I178 M367 A368 W373 H375 K378 Y379 L390I178-E371 HydrophobicContact CD1-CB 4.14Å; M367-E371 PolarHBondContact O-N 3.01Å; A368-E371 PolarHBondContact O-N 3.01Å; E371-W373 VanDerWaalsContact C-N 3.35Å; E371-W373 PolarHBondContact O-N 2.78Å; E371-H375 CarbonylContact O-C 3.58Å; E371-H375 WeakPolarHBondContact O-CA 3.48Å; E371-H375 WeakPolarHBondContact O-CB 3.32Å; E371-H375 PolarHBondContact O-N 2.69Å; E371-H375 IonicContact OE1-CE1 3.83Å; E371-H375 PolarHBondContact OE1-CE1 3.2Å; E371-H375 IonicContact OE1-ND1 2.72Å; E371-H375 PolarHBondContact OE1-ND1 2.84Å; E371-H375 IonicContact OE2-ND1 2.75Å; E371-K378 IonicContact OE1-NZ 3.22Å; E371-K378 IonicContact OE2-NZ 2.69Å; E371-K378 PolarHBondContact OE2-NZ 3.48Å; E371-Y379 HydrophobicContact CB-CE2 3.78Å; E371-Y379 HydrophobicContact CG-CE2 4.46Å; E371-Y379 WeakPolarHBondContact CG-OH 3.43Å; E371-Y379 PolarHBondContact OE2-OH 3.47Å; E371-Y379 VanDerWaalsContact OE2-OH 3.12Å; E371-L390 HydrophobicContact CG-CD1 4.06Å
372L98.8Very high98.5Very high1 Ų134.7 Ų34.71%0.00519%0.186CC..Hα-helixtrans-64.5-39.9178.2-73.1163.2000112M127 R151 I153 P176 I178 A368 Y379M127-L372 HydrophobicContact CE-CB 3.69Å; M127-L372 HydrophobicContact CE-CD1 4.25Å; R151-L372 VanDerWaalsContact CD-O 3.23Å; R151-L372 WeakPolarHBondContact CD-O 3.35Å; R151-L372 WeakPolarHBondContact CG-O 3.19Å; I153-L372 VanDerWaalsContact O-CD1 3.23Å; I153-L372 WeakPolarHBondContact O-CD1 3.35Å; P176-L372 HydrophobicContact CB-CD2 4.18Å; I178-L372 HydrophobicContact CB-CD1 4.21Å; I178-L372 HydrophobicContact CD1-CD1 4.01Å; I178-L372 HydrophobicContact CD1-CD2 4.18Å; I178-L372 HydrophobicContact CD1-CG 3.68Å; I178-L372 HydrophobicContact CG1-CD1 3.98Å; I178-L372 HydrophobicContact CG1-CD2 4.08Å; I178-L372 HydrophobicContact CG1-CG 3.96Å; A368-L372 WeakPolarHBondContact O-CB 3.49Å; A368-L372 WeakPolarHBondContact O-CG 3.27Å; A368-L372 PolarHBondContact O-N 3.06Å; L372-Y379 HydrophobicContact CD2-CD2 4.3Å; L372-Y379 HydrophobicContact CD2-CG 4.16Å
373W98.8Very high98.5Very high29 Ų2935.8 Ų35.811%0.1119%0.192CC..Hα-helixtrans-72.9-43-177.9-175.6-110.1000112.8L45 K46 G47 A48 N126 M127 R151 Q369 I370 E371L45-W373 HydrophobicContact CD2-CB 4.01Å; L45-W373 HydrophobicContact CD2-CG 4.29Å; K46-W373 PolarHBondContact O-NE1 2.8Å; G47-W373 VanDerWaalsContact O-CH2 3.3Å; G47-W373 WeakPolarHBondContact O-CH2 3.4Å; G47-W373 WeakPolarHBondContact O-CZ2 3.44Å; A48-W373 HydrophobicContact CB-CD2 3.8Å; A48-W373 HydrophobicContact CB-CE3 4.05Å; A48-W373 HydrophobicContact CB-CG 4.22Å; A48-W373 HydrophobicContact CB-CZ2 4.27Å; A48-W373 HydrophobicContact CB-CZ3 4.39Å; A48-W373 VanDerWaalsContact N-CZ2 3.31Å; N126-W373 HydrophobicContact CB-CZ3 4.35Å; N126-W373 WeakPolarHBondContact ND2-CH2 3.25Å; M127-W373 HydrophobicContact CG-CE3 3.72Å; M127-W373 HydrophobicContact CG-CZ3 4.23Å; M127-W373 HydrophobicContact SD-CE3 3.9Å; R151-W373 HydrophobicContact CB-CE3 4.42Å; R151-W373 WeakPolarHBondContact CD-O 3.3Å; R151-W373 PolarHBondContact NH1-O 3.39Å; Q369-W373 WeakPolarHBondContact O-CB 3.39Å; Q369-W373 PolarHBondContact O-N 3.04Å; I370-W373 PolarHBondContact O-N 2.89Å; E371-W373 VanDerWaalsContact C-N 3.35Å; E371-W373 PolarHBondContact O-N 2.78Å
374T98.6Very high98.5Very high53 Ų5337.8 Ų37.833%0.32520%0.202SC..Hα-helixtrans-97.2-20-17164.40000113.9P44 I370 P376P44-T374 HydrophobicContact CB-CG2 4.25Å; P44-T374 WeakPolarHBondContact O-CG2 3.35Å; I370-T374 HydrophobicContact CG2-CG2 4.32Å; I370-T374 WeakPolarHBondContact O-CB 3.5Å; I370-T374 WeakPolarHBondContact O-CG2 3.35Å; I370-T374 PolarHBondContact O-N 3.26Å; I370-T374 PolarHBondContact O-OG1 3.43Å; T374-P376 VanDerWaalsContact C-CD 3.41Å
375H98.4Very high98.5Very high76 Ų7643.2 Ų43.235%0.35223%0.225SC..  trans-129.549.9-180-54.1112000113E371 D377 K378 Y379E371-H375 CarbonylContact O-C 3.58Å; E371-H375 WeakPolarHBondContact O-CA 3.48Å; E371-H375 WeakPolarHBondContact O-CB 3.32Å; E371-H375 PolarHBondContact O-N 2.69Å; E371-H375 IonicContact OE1-CE1 3.83Å; E371-H375 PolarHBondContact OE1-CE1 3.2Å; E371-H375 IonicContact OE1-ND1 2.72Å; E371-H375 PolarHBondContact OE1-ND1 2.84Å; E371-H375 IonicContact OE2-ND1 2.75Å; H375-D377 PolarHBondContact O-N 2.94Å; H375-D377 VanDerWaalsContact O-N 3.12Å; H375-K378 HydrophobicContact CB-CD 3.74Å; H375-K378 HydrophobicContact CB-CG 4.05Å; H375-K378 WeakPolarHBondContact O-CB 3.28Å; H375-K378 PolarHBondContact O-N 3.09Å; H375-Y379 WeakPolarHBondContact O-CD2 3.42Å
376P96.9Very high98.3Very high45 Ų4543.8 Ų43.829%0.29223%0.229SC..G310 helixtrans-57.4-33.7-174.824-34.3000113.3R151 T374 K378 Y379R151-P376 HydrophobicContact CG-CB 3.88Å; T374-P376 VanDerWaalsContact C-CD 3.41Å; P376-K378 PolarHBondContact O-N 3.24Å; P376-K378 VanDerWaalsContact O-N 3.14Å; P376-Y379 PolarHBondContact O-N 3.39Å
377D97.6Very high98.2Very high166 Ų16646.7 Ų46.789%0.88825%0.247SC*.G310 helixtrans-65.1-18.5-178.3-58.6-34.5000113.7H375 Y379H375-D377 PolarHBondContact O-N 2.94Å; H375-D377 VanDerWaalsContact O-N 3.12Å; D377-Y379 VanDerWaalsContact C-N 3.31Å
378K98Very high98.1Very high116 Ų11647.5 Ų47.550%0.50425%0.25SS..G310 helixtrans-75.8-21.6174.3-66.1-177.3-168.6163.60112.8E371 H375 P376 P380E371-K378 IonicContact OE1-NZ 3.22Å; E371-K378 IonicContact OE2-NZ 2.69Å; E371-K378 PolarHBondContact OE2-NZ 3.48Å; H375-K378 HydrophobicContact CB-CD 3.74Å; H375-K378 HydrophobicContact CB-CG 4.05Å; H375-K378 WeakPolarHBondContact O-CB 3.28Å; H375-K378 PolarHBondContact O-N 3.09Å; P376-K378 PolarHBondContact O-N 3.24Å; P376-K378 VanDerWaalsContact O-N 3.14Å; K378-P380 VanDerWaalsContact O-CD 3.31Å; K378-P380 WeakPolarHBondContact O-CD 3.36Å
379Y98.4Very high98Very high19 Ų1953.5 Ų53.58%0.07528%0.276CS..  trans-119.886-167.9-60.1-75.7000109.9P176 I178 E371 L372 H375 P376 D377 H384P176-Y379 VanDerWaalsContact CB-O 3.29Å; P176-Y379 WeakPolarHBondContact CB-O 3.41Å; P176-Y379 WeakPolarHBondContact CG-O 3.11Å; I178-Y379 HydrophobicContact CD1-CD1 4.5Å; I178-Y379 HydrophobicContact CD1-CE1 4.01Å; I178-Y379 HydrophobicContact CG1-CD1 4.44Å; I178-Y379 HydrophobicContact CG1-CE1 4.27Å; E371-Y379 HydrophobicContact CB-CE2 3.78Å; E371-Y379 HydrophobicContact CG-CE2 4.46Å; E371-Y379 WeakPolarHBondContact CG-OH 3.43Å; E371-Y379 PolarHBondContact OE2-OH 3.47Å; E371-Y379 VanDerWaalsContact OE2-OH 3.12Å; L372-Y379 HydrophobicContact CD2-CD2 4.3Å; L372-Y379 HydrophobicContact CD2-CG 4.16Å; H375-Y379 WeakPolarHBondContact O-CD2 3.42Å; P376-Y379 PolarHBondContact O-N 3.39Å; D377-Y379 VanDerWaalsContact C-N 3.31Å; Y379-H384 HydrophobicContact CD1-CB 3.9Å; Y379-H384 AromaticContact CD1-CD2 3.96Å; Y379-H384 AromaticContact CD1-CG 3.77Å; Y379-H384 HydrophobicContact CE1-CB 4.15Å
380P98.4Very high97.9Very high89 Ų8955.9 Ų55.958%0.57829%0.289SS*.  trans-63.7166.8169.629-35.4000110.7K378 G382 H384K378-P380 VanDerWaalsContact O-CD 3.31Å; K378-P380 WeakPolarHBondContact O-CD 3.36Å; P380-G382 PolarHBondContact O-N 2.99Å; P380-G382 VanDerWaalsContact O-N 3.14Å; P380-H384 PolarHBondContact O-NE2 3.37Å
381V98.7Very high97.9Very high68 Ų6855.6 Ų55.641%0.41229%0.287SS..SBendtrans-54.8124.6173.4177.10000109.8L173 K174 P176L173-V381 HydrophobicContact CG-CG1 4.4Å; L173-V381 VanDerWaalsContact O-CG1 3.3Å; L173-V381 WeakPolarHBondContact O-CG1 3.3Å; K174-V381 WeakPolarHBondContact O-CG2 3.45Å; P176-V381 HydrophobicContact CG-CG2 4.46Å
382G98.5Very high97.9Very high6 Ų656.8 Ų56.86%0.06229%0.293CS..SBendtrans153.5177-169.700000110.8A177 P380 H384A177-G382 PolarHBondContact N-O 2.6Å; P380-G382 PolarHBondContact O-N 2.99Å; P380-G382 VanDerWaalsContact O-N 3.14Å; G382-H384 PolarHBondContact O-CD2 3.28Å
383V98.8Very high97.8Very high23 Ų2358.4 Ų58.414%0.13931%0.307CS..EExtended strand (participates in β ladder)trans-108.1122.1177.9-1740000108.8L164 Y165 L173 A177 N179L164-V383 HydrophobicContact CB-CG2 3.8Å; Y165-V383 HydrophobicContact CD1-CB 4.03Å; Y165-V383 HydrophobicContact CD1-CG1 4.39Å; Y165-V383 HydrophobicContact CD1-CG2 4.08Å; Y165-V383 HydrophobicContact CE1-CB 3.61Å; Y165-V383 HydrophobicContact CE1-CG1 3.79Å; Y165-V383 HydrophobicContact CE1-CG2 4.19Å; Y165-V383 HydrophobicContact CE2-CG1 4.13Å; L173-V383 HydrophobicContact CD2-CG2 4.01Å; A177-V383 CarbonylContact O-C 3.2Å; A177-V383 WeakPolarHBondContact O-CA 3.44Å; N179-V383 HydrophobicContact CB-CG1 3.88Å
384H98.7Very high97.8Very high43 Ų4357 Ų5720%0.19930%0.301CS..EExtended strand (participates in β ladder)trans-121.4156.5-172-54.6-87.6000111.3A177 I178 N179 Y379 P380 G382A177-H384 PolarHBondContact O-CD2 3.25Å; A177-H384 PolarHBondContact O-N 2.94Å; I178-H384 CarbonylContact C-O 3.54Å; I178-H384 WeakPolarHBondContact CA-O 3.48Å; N179-H384 PolarHBondContact N-O 3.25Å; Y379-H384 HydrophobicContact CD1-CB 3.9Å; Y379-H384 AromaticContact CD1-CD2 3.96Å; Y379-H384 AromaticContact CD1-CG 3.77Å; Y379-H384 HydrophobicContact CE1-CB 4.15Å; P380-H384 PolarHBondContact O-NE2 3.37Å; G382-H384 PolarHBondContact O-CD2 3.28Å
385F98.2Very high97.8Very high113 Ų11356 Ų5650%0.49630%0.298SS..EExtended strand (participates in β ladder)trans-96.6155.5170.2-59.4-72.1000110.9Y165 N179 D182Y165-F385 WeakPolarHBondContact OH-CZ 3.47Å; N179-F385 HydrophobicContact CB-CD1 4.3Å; N179-F385 HydrophobicContact CB-CE1 4.4Å; N179-F385 VanDerWaalsContact ND2-CE1 3.32Å; N179-F385 WeakPolarHBondContact ND2-CE1 3.14Å; D182-F385 HydrophobicContact CB-CD1 4.14Å; D182-F385 HydrophobicContact CB-CE1 3.68Å
386L95.3Very high97.8Very high13 Ų1356.1 Ų56.17%0.06830%0.299CS..PPolyproline II helixtrans-64.1141.7163.6-77.2171.5000110I178 N364 M367 A368 K388 L390I178-L386 HydrophobicContact CD1-CD2 4.22Å; I178-L386 HydrophobicContact CG2-CD2 4.25Å; I178-L386 HydrophobicContact CG2-CG 3.9Å; N364-L386 HydrophobicContact CB-CD1 3.88Å; N364-L386 WeakPolarHBondContact OD1-CD1 3.38Å; M367-L386 HydrophobicContact CB-CD1 4.41Å; M367-L386 HydrophobicContact CB-CD2 4.4Å; A368-L386 HydrophobicContact CB-CD2 4.3Å; L386-K388 PolarHBondContact O-N 2.95Å; L386-L390 HydrophobicContact CD2-CD1 4.18Å
387P95.9Very high97.9Very high60 Ų6054.6 Ų54.639%0.3929%0.29SS..PPolyproline II helixtrans-55.2136.6171.6-25.232.7000111.5K389 L390 D391P387-K389 PolarHBondContact O-N 3.15Å; P387-L390 HydrophobicContact CG-CD1 4.42Å; P387-L390 WeakPolarHBondContact O-CB 3.47Å; P387-L390 PolarHBondContact O-N 3.5Å; P387-D391 PolarHBondContact O-N 2.89Å
388K96.4Very high98Very high39 Ų3947 Ų4717%0.1725%0.249CC..Hα-helixtrans-52.9-31.4-178.8-168.6177.9-60.3-66.60113.9L386 L390 D391 E392 P424 K426 P427 D428L386-K388 PolarHBondContact O-N 2.95Å; K388-L390 VanDerWaalsContact C-N 3.32Å; K388-L390 PolarHBondContact O-N 3.34Å; K388-D391 WeakPolarHBondContact O-CB 3.37Å; K388-D391 PolarHBondContact O-N 3.41Å; K388-E392 WeakPolarHBondContact O-CG 3.09Å; K388-E392 PolarHBondContact O-N 3.4Å; K388-P424 HydrophobicContact CB-CB 4.26Å; K388-P424 HydrophobicContact CD-CB 3.97Å; K388-P424 HydrophobicContact CG-CB 4.16Å; K388-K426 HydrophobicContact CD-CB 4.36Å; K388-K426 WeakPolarHBondContact CD-O 3.38Å; K388-K426 WeakPolarHBondContact CE-O 3.35Å; K388-P427 VanDerWaalsContact CE-O 3.29Å; K388-P427 WeakPolarHBondContact CE-O 3.46Å; K388-P427 PolarHBondContact NZ-O 3.25Å; K388-D428 WeakPolarHBondContact CE-OD1 3.24Å
389K96.9Very high98Very high126 Ų12643.5 Ų43.555%0.54824%0.236SC..Hα-helixtrans-64.6-33.6176.3-170.4169.7-175.2173.70113.1P387 A393P387-K389 PolarHBondContact O-N 3.15Å; K389-A393 WeakPolarHBondContact O-CB 3.43Å; K389-A393 PolarHBondContact O-N 2.72Å; K389-A393 VanDerWaalsContact O-N 3.15Å
390L97.5Very high98Very high49 Ų4945.3 Ų45.326%0.25726%0.26SS..Hα-helixtrans-73.1-41.8174.3-66.4-173.4000110.6M367 E371 L386 P387 K388 E392 A393 V394M367-L390 HydrophobicContact SD-CB 3.81Å; M367-L390 HydrophobicContact SD-CD2 4.35Å; M367-L390 HydrophobicContact SD-CG 4.47Å; E371-L390 HydrophobicContact CG-CD1 4.06Å; L386-L390 HydrophobicContact CD2-CD1 4.18Å; P387-L390 HydrophobicContact CG-CD1 4.42Å; P387-L390 WeakPolarHBondContact O-CB 3.47Å; P387-L390 PolarHBondContact O-N 3.5Å; K388-L390 VanDerWaalsContact C-N 3.32Å; K388-L390 PolarHBondContact O-N 3.34Å; L390-E392 PolarHBondContact O-N 3.3Å; L390-A393 CarbonylContact O-C 3.57Å; L390-A393 WeakPolarHBondContact O-CA 3.43Å; L390-A393 WeakPolarHBondContact O-CB 3.47Å; L390-A393 PolarHBondContact O-N 2.83Å; L390-V394 WeakPolarHBondContact O-CG2 3.3Å; L390-V394 PolarHBondContact O-N 3.35Å
391D97.8Very high98Very high13 Ų1344.2 Ų44.27%0.0725%0.247CC..Hα-helixtrans-58.8-45175.4-161.3-0.2000112V184 T185 P387 K388 A393 V394 A395V184-D391 WeakPolarHBondContact CB-OD2 3.44Å; V184-D391 PolarHBondContact N-OD1 3.34Å; V184-D391 PolarHBondContact N-OD2 3.22Å; T185-D391 WeakPolarHBondContact CB-OD1 3.44Å; T185-D391 VanDerWaalsContact CG2-O 3.3Å; T185-D391 WeakPolarHBondContact CG2-O 3.37Å; T185-D391 WeakPolarHBondContact CG2-OD1 3.33Å; T185-D391 PolarHBondContact N-OD1 3.24Å; T185-D391 PolarHBondContact OG1-OD1 3.04Å; P387-D391 PolarHBondContact O-N 2.89Å; K388-D391 WeakPolarHBondContact O-CB 3.37Å; K388-D391 PolarHBondContact O-N 3.41Å; D391-A393 VanDerWaalsContact C-N 3.32Å; D391-A393 PolarHBondContact O-N 3.18Å; D391-V394 WeakPolarHBondContact O-CB 3.3Å; D391-V394 PolarHBondContact O-N 3.32Å; D391-A395 PolarHBondContact O-N 3.32Å
392E98.6Very high97.9Very high46 Ų4645.8 Ų45.822%0.21525%0.252CS..Hα-helixtrans-62.7-36172-72.7177176.200112.8K388 L390 V394 A395 E396 P424 F425K388-E392 WeakPolarHBondContact O-CG 3.09Å; K388-E392 PolarHBondContact O-N 3.4Å; L390-E392 PolarHBondContact O-N 3.3Å; E392-V394 VanDerWaalsContact C-N 3.35Å; E392-A395 PolarHBondContact O-N 3.04Å; E392-E396 WeakPolarHBondContact O-CB 3.48Å; E392-E396 PolarHBondContact O-N 3.45Å; E392-P424 WeakPolarHBondContact OE2-CA 3.34Å; E392-F425 PolarHBondContact OE1-N 3.34Å; E392-F425 WeakPolarHBondContact OE2-CD2 3.31Å
393A98.3Very high97.9Very high35 Ų3552.1 Ų52.129%0.28929%0.285SS..Hα-helixtrans-68.7-33.1177.100000112.3M367 K389 L390 D391 E396 A397M367-A393 HydrophobicContact CE-CB 4.43Å; K389-A393 WeakPolarHBondContact O-CB 3.43Å; K389-A393 PolarHBondContact O-N 2.72Å; K389-A393 VanDerWaalsContact O-N 3.15Å; L390-A393 CarbonylContact O-C 3.57Å; L390-A393 WeakPolarHBondContact O-CA 3.43Å; L390-A393 WeakPolarHBondContact O-CB 3.47Å; L390-A393 PolarHBondContact O-N 2.83Å; D391-A393 VanDerWaalsContact C-N 3.32Å; D391-A393 PolarHBondContact O-N 3.18Å; A393-E396 PolarHBondContact O-N 3.31Å; A393-A397 WeakPolarHBondContact O-CB 3.32Å; A393-A397 PolarHBondContact O-N 2.93Å
394V98.4Very high97.9Very high0 Ų054.5 Ų54.50%030%0.299CS..Hα-helixtrans-59.2-53170.1176.70000109.5T185 N360 T363 M367 L390 D391 E392 E396 A397 H398T185-V394 HydrophobicContact CG2-CB 4.17Å; T185-V394 HydrophobicContact CG2-CG1 4.22Å; N360-V394 HydrophobicContact CB-CG1 4.19Å; T363-V394 HydrophobicContact CG2-CB 4.5Å; T363-V394 HydrophobicContact CG2-CG1 4.32Å; T363-V394 HydrophobicContact CG2-CG2 3.83Å; M367-V394 HydrophobicContact CE-CG2 3.83Å; M367-V394 HydrophobicContact SD-CG2 3.65Å; L390-V394 WeakPolarHBondContact O-CG2 3.3Å; L390-V394 PolarHBondContact O-N 3.35Å; D391-V394 WeakPolarHBondContact O-CB 3.3Å; D391-V394 PolarHBondContact O-N 3.32Å; E392-V394 VanDerWaalsContact C-N 3.35Å; V394-E396 VanDerWaalsContact C-N 3.32Å; V394-E396 PolarHBondContact O-N 3.25Å; V394-A397 WeakPolarHBondContact O-CB 3.1Å; V394-A397 PolarHBondContact O-N 3.02Å; V394-H398 PolarHBondContact O-CE1 3.07Å; V394-H398 PolarHBondContact O-ND1 3.05Å
395A98.6Very high97.9Very high32 Ų3261.9 Ų61.926%0.26433%0.33SS..Hα-helixtrans-57.9-46179.400000111.7T185 D391 E392 A397 H398 L399T185-A395 HydrophobicContact CG2-CB 3.7Å; D391-A395 PolarHBondContact O-N 3.32Å; E392-A395 PolarHBondContact O-N 3.04Å; A395-A397 VanDerWaalsContact C-N 3.28Å; A395-A397 PolarHBondContact O-N 3.05Å; A395-H398 PolarHBondContact O-N 2.9Å; A395-H398 VanDerWaalsContact O-N 3.1Å; A395-L399 WeakPolarHBondContact O-CG 3.45Å; A395-L399 PolarHBondContact O-N 3.12Å
396E98.6Very high97.9Very high77 Ų7761.3 Ų61.336%0.3633%0.332SS..Hα-helixtrans-57.4-39.5179.3-166.8-115.7-168.400112.7R34 E392 A393 V394 H398 L399R34-E396 IonicContact CZ-OE2 3.95Å; R34-E396 IonicContact NH1-OE2 3.45Å; R34-E396 PolarHBondContact NH1-OE2 3.04Å; R34-E396 IonicContact NH2-OE2 3.53Å; R34-E396 PolarHBondContact NH2-OE2 3.12Å; E392-E396 WeakPolarHBondContact O-CB 3.48Å; E392-E396 PolarHBondContact O-N 3.45Å; A393-E396 PolarHBondContact O-N 3.31Å; V394-E396 VanDerWaalsContact C-N 3.32Å; V394-E396 PolarHBondContact O-N 3.25Å; E396-H398 PolarHBondContact O-N 3.3Å; E396-L399 PolarHBondContact O-N 2.93Å
397A98.5Very high98.1Very high14 Ų1466.5 Ų66.512%0.11636%0.364CS..Hα-helixtrans-62.7-22.3179.200000114A393 V394 A395A393-A397 WeakPolarHBondContact O-CB 3.32Å; A393-A397 PolarHBondContact O-N 2.93Å; V394-A397 WeakPolarHBondContact O-CB 3.1Å; V394-A397 PolarHBondContact O-N 3.02Å; A395-A397 VanDerWaalsContact C-N 3.28Å; A395-A397 PolarHBondContact O-N 3.05Å
398H98.8Very high98.2Very high5 Ų569.3 Ų69.32%0.02337%0.371CS..Hα-helixtrans-95.5-19.3-178.2-63.680.2000113.3P30 F356 S359 N360 V394 A395 E396 G400 K401P30-H398 HydrophobicContact CG-CB 4.44Å; F356-H398 HydrophobicContact CE2-CB 4.45Å; F356-H398 HydrophobicContact CZ-CB 3.9Å; S359-H398 VanDerWaalsContact C-NE2 3.35Å; S359-H398 WeakPolarHBondContact CB-NE2 3.39Å; S359-H398 PolarHBondContact OG-NE2 3.44Å; N360-H398 PolarHBondContact N-NE2 3.11Å; N360-H398 PolarHBondContact ND2-CD2 3.12Å; N360-H398 PolarHBondContact OD1-ND1 3.48Å; V394-H398 PolarHBondContact O-CE1 3.07Å; V394-H398 PolarHBondContact O-ND1 3.05Å; A395-H398 PolarHBondContact O-N 2.9Å; A395-H398 VanDerWaalsContact O-N 3.1Å; E396-H398 PolarHBondContact O-N 3.3Å; H398-G400 VanDerWaalsContact C-N 3.31Å; H398-G400 PolarHBondContact O-N 3.09Å; H398-K401 PolarHBondContact O-N 2.93Å
399L98.6Very high98.3Very high43 Ų4369.2 Ų69.223%0.22537%0.372CS..Hα-helixtrans-60.7-36.8-173.6-66.1-170.6000113.7A395 E396 K401 L402 N403 V404 L406A395-L399 WeakPolarHBondContact O-CG 3.45Å; A395-L399 PolarHBondContact O-N 3.12Å; E396-L399 PolarHBondContact O-N 2.93Å; L399-K401 VanDerWaalsContact C-N 3.35Å; L399-K401 PolarHBondContact O-N 3.39Å; L399-L402 CarbonylContact O-C 3.58Å; L399-L402 PolarHBondContact O-N 2.91Å; L399-N403 PolarHBondContact O-N 3.29Å; L399-V404 HydrophobicContact CB-CB 4.06Å; L399-V404 HydrophobicContact CB-CG1 4.48Å; L399-V404 HydrophobicContact CD1-CG1 4.28Å; L399-V404 HydrophobicContact CD2-CB 4.07Å; L399-V404 HydrophobicContact CD2-CG1 4.03Å; L399-V404 HydrophobicContact CD2-CG2 4.35Å; L399-V404 HydrophobicContact CG-CB 4.49Å; L399-V404 HydrophobicContact CG-CG1 4.49Å; L399-V404 PolarHBondContact O-N 3.14Å; L399-L406 HydrophobicContact CD1-CB 4.19Å; L399-L406 HydrophobicContact CD1-CD1 4.24Å; L399-L406 HydrophobicContact CD1-CD2 4.18Å; L399-L406 HydrophobicContact CD1-CG 4.44Å
400G98.3Very high98.3Very high57 Ų5766.7 Ų66.759%0.58837%0.367SS*.THydrogen-bonded Turntrans-61.6-41.7-178.800000112.8H398 L402 N403H398-G400 VanDerWaalsContact C-N 3.31Å; H398-G400 PolarHBondContact O-N 3.09Å; G400-L402 PolarHBondContact O-N 3.37Å; G400-N403 PolarHBondContact O-N 3.47Å
401K98.4Very high98.4Very high67 Ų6771.2 Ų71.229%0.29139%0.387SS..THydrogen-bonded Turntrans-62.9-32.6178.8-18067-176.2-156.80112.3N27 E28 P30 F356 H398 L399 N403N27-K401 WeakPolarHBondContact O-CE 3.19Å; N27-K401 PolarHBondContact O-NZ 3.16Å; E28-K401 WeakPolarHBondContact OE1-CE 3.36Å; E28-K401 IonicContact OE1-NZ 2.69Å; E28-K401 PolarHBondContact OE1-NZ 2.85Å; P30-K401 HydrophobicContact CB-CB 4.32Å; P30-K401 HydrophobicContact CG-CB 3.92Å; P30-K401 HydrophobicContact CG-CG 4.35Å; F356-K401 HydrophobicContact CD2-CG 4.3Å; F356-K401 HydrophobicContact CE2-CB 4.1Å; F356-K401 HydrophobicContact CE2-CG 3.84Å; H398-K401 PolarHBondContact O-N 2.93Å; L399-K401 VanDerWaalsContact C-N 3.35Å; L399-K401 PolarHBondContact O-N 3.39Å; K401-N403 VanDerWaalsContact C-N 3.33Å
402L98.1Very high98.4Very high100 Ų10078.8 Ų78.852%0.52442%0.419SS..THydrogen-bonded Turntrans-89.33.6176.6-60-179.5000113.4F356 L399 G400 V404F356-L402 HydrophobicContact CE1-CD1 3.95Å; F356-L402 HydrophobicContact CE1-CD2 4.38Å; F356-L402 HydrophobicContact CE1-CG 4.34Å; F356-L402 HydrophobicContact CE2-CD2 4.14Å; F356-L402 HydrophobicContact CE2-CG 4.15Å; F356-L402 HydrophobicContact CZ-CD1 3.61Å; F356-L402 HydrophobicContact CZ-CD2 3.86Å; F356-L402 HydrophobicContact CZ-CG 3.61Å; L399-L402 CarbonylContact O-C 3.58Å; L399-L402 PolarHBondContact O-N 2.91Å; G400-L402 PolarHBondContact O-N 3.37Å; L402-V404 HydrophobicContact CB-CG2 3.96Å; L402-V404 PolarHBondContact O-N 3.38Å
403N98.3Very high98.4Very high140 Ų14080.9 Ų80.975%0.74943%0.429SS*.THydrogen-bonded Turntrans58.527.3-176.7-52.9-77.9000114L399 G400 K401L399-N403 PolarHBondContact O-N 3.29Å; G400-N403 PolarHBondContact O-N 3.47Å; K401-N403 VanDerWaalsContact C-N 3.33Å
404V98.6Very high98.4Very high73 Ų7379.5 Ų79.544%0.44242%0.417SS..  trans-74.6131.9178174.40000109.9L399 L402L399-V404 HydrophobicContact CB-CB 4.06Å; L399-V404 HydrophobicContact CB-CG1 4.48Å; L399-V404 HydrophobicContact CD1-CG1 4.28Å; L399-V404 HydrophobicContact CD2-CB 4.07Å; L399-V404 HydrophobicContact CD2-CG1 4.03Å; L399-V404 HydrophobicContact CD2-CG2 4.35Å; L399-V404 HydrophobicContact CG-CB 4.49Å; L399-V404 HydrophobicContact CG-CG1 4.49Å; L399-V404 PolarHBondContact O-N 3.14Å; L402-V404 HydrophobicContact CB-CG2 3.96Å; L402-V404 PolarHBondContact O-N 3.38Å
405K98.4Very high98.4Very high197 Ų19787.1 Ų87.186%0.85745%0.453SS*.  trans-104101.2176.9-65179.4-178.2176.90110
406L98.4Very high98.4Very high101 Ų10195.1 Ų95.153%0.52948%0.478SS..PPolyproline II helixtrans-76.1128.4-177.2-166.465.9000111.3L399L399-L406 HydrophobicContact CD1-CB 4.19Å; L399-L406 HydrophobicContact CD1-CD1 4.24Å; L399-L406 HydrophobicContact CD1-CD2 4.18Å; L399-L406 HydrophobicContact CD1-CG 4.44Å
407T98.6Very high98.4Very high122 Ų12295.7 Ų95.775%0.74848%0.483SS*.PPolyproline II helixtrans-68137.7173.3-66.10000110.2
408K98.3Very high98.3Very high120 Ų12098.4 Ų98.452%0.52251%0.512SS..PPolyproline II helixtrans-103.6129.7172-67.1-65.5-174.8176.10110T410K408-T410 PolarHBondContact O-N 3.3Å
409L97.7Very high98.2Very high37 Ų37101.2 Ų101.219%0.19453%0.526CS..PPolyproline II helixtrans-59.6138.2173.2-65.5177.7000109.6Q413 A414 L417 M419 R421 F425L409-Q413 HydrophobicContact CB-CB 4.33Å; L409-Q413 HydrophobicContact CD2-CB 3.96Å; L409-A414 HydrophobicContact CD1-CB 4.46Å; L409-L417 HydrophobicContact CD1-CD1 4.26Å; L409-L417 HydrophobicContact CD2-CD1 4.4Å; L409-M419 HydrophobicContact CD1-SD 4.35Å; L409-R421 VanDerWaalsContact O-CZ 3.25Å; L409-R421 PolarHBondContact O-NE 3.02Å; L409-R421 PolarHBondContact O-NH2 3.14Å; L409-F425 HydrophobicContact CD1-CE1 4.4Å
410T98.4Very high98.2Very high72 Ų72102.1 Ų102.144%0.44254%0.536SS..PPolyproline II helixtrans-69.5160160.661.80000109.6K408 K412 Q413 A414K408-T410 PolarHBondContact O-N 3.3Å; T410-K412 VanDerWaalsContact C-N 3.26Å; T410-K412 PolarHBondContact O-N 2.88Å; T410-Q413 PolarHBondContact O-N 3.11Å; T410-Q413 VanDerWaalsContact O-N 3.15Å; T410-Q413 WeakPolarHBondContact OG1-CG 3.47Å; T410-Q413 PolarHBondContact OG1-N 2.86Å; T410-Q413 PolarHBondContact OG1-OE1 3.24Å; T410-A414 PolarHBondContact O-N 2.82Å
411E98.3Very high98.1Very high145 Ų145105 Ų10568%0.67853%0.529SS*.Hα-helixtrans-57.5-40.8175.3-172.6172.6-172.500112.2Q413 A414 Q415E411-Q413 VanDerWaalsContact C-N 3.34Å; E411-Q413 PolarHBondContact O-N 3.43Å; E411-A414 PolarHBondContact O-N 3.24Å; E411-Q415 WeakPolarHBondContact O-CB 3.28Å; E411-Q415 PolarHBondContact O-N 3.24Å
412K98.6Very high98Very high171 Ų171106.9 Ų106.974%0.74354%0.542SS*.Hα-helixtrans-58.4-42.3175.2-175.4179.3179-178.40112.6T410 Y416T410-K412 VanDerWaalsContact C-N 3.26Å; T410-K412 PolarHBondContact O-N 2.88Å; K412-Y416 WeakPolarHBondContact O-CB 3.45Å; K412-Y416 PolarHBondContact O-N 3.43Å
413Q98.6Very high98Very high90 Ų90102.3 Ų102.342%0.42152%0.52SS..Hα-helixtrans-69.1-42.7178.6-73.3164.8-4500111.8L409 T410 E411 Y416 L417L409-Q413 HydrophobicContact CB-CB 4.33Å; L409-Q413 HydrophobicContact CD2-CB 3.96Å; T410-Q413 PolarHBondContact O-N 3.11Å; T410-Q413 VanDerWaalsContact O-N 3.15Å; T410-Q413 WeakPolarHBondContact OG1-CG 3.47Å; T410-Q413 PolarHBondContact OG1-N 2.86Å; T410-Q413 PolarHBondContact OG1-OE1 3.24Å; E411-Q413 VanDerWaalsContact C-N 3.34Å; E411-Q413 PolarHBondContact O-N 3.43Å; Q413-Y416 PolarHBondContact O-N 2.96Å; Q413-L417 WeakPolarHBondContact O-CB 3.45Å; Q413-L417 WeakPolarHBondContact O-CG 3.29Å; Q413-L417 PolarHBondContact O-N 3.41Å
414A98.4Very high98Very high6 Ų698.8 Ų98.85%0.0551%0.505CS..Hα-helixtrans-62.2-43177.600000112.1L409 T410 E411 L417 G418 M419 R421L409-A414 HydrophobicContact CD1-CB 4.46Å; T410-A414 PolarHBondContact O-N 2.82Å; E411-A414 PolarHBondContact O-N 3.24Å; A414-L417 PolarHBondContact O-N 3.12Å; A414-G418 PolarHBondContact O-N 3.44Å; A414-M419 WeakPolarHBondContact CB-O 3.33Å; A414-M419 PolarHBondContact O-N 2.87Å; A414-M419 VanDerWaalsContact O-N 3.11Å; A414-R421 HydrophobicContact CB-CG 3.42Å; A414-R421 VanDerWaalsContact CB-CG 3.42Å
415Q98.3Very high97.9Very high161 Ų16198.5 Ų98.575%0.75250%0.497SS*.Hα-helixtrans-63-43.9173.9-171.8-177.614.500112E411 L417 G418E411-Q415 WeakPolarHBondContact O-CB 3.28Å; E411-Q415 PolarHBondContact O-N 3.24Å; Q415-L417 VanDerWaalsContact C-N 3.3Å; Q415-L417 PolarHBondContact O-N 2.77Å; Q415-G418 PolarHBondContact O-N 2.65Å
416Y98.4Very high97.9Very high199 Ų19993.2 Ų93.278%0.7848%0.475SS*.Hα-helixtrans-60-40.4177.2176.8-94.4000112.3K412 Q413 G418K412-Y416 WeakPolarHBondContact O-CB 3.45Å; K412-Y416 PolarHBondContact O-N 3.43Å; Q413-Y416 PolarHBondContact O-N 2.96Å; Y416-G418 VanDerWaalsContact C-N 3.34Å
417L98Very high97.9Very high90 Ų9091.5 Ų91.547%0.47147%0.47SS..Hα-helixtrans-82-10.8179.3-67.9174.8000113.6L409 Q413 A414 Q415 M419L409-L417 HydrophobicContact CD1-CD1 4.26Å; L409-L417 HydrophobicContact CD2-CD1 4.4Å; Q413-L417 WeakPolarHBondContact O-CB 3.45Å; Q413-L417 WeakPolarHBondContact O-CG 3.29Å; Q413-L417 PolarHBondContact O-N 3.41Å; A414-L417 PolarHBondContact O-N 3.12Å; Q415-L417 VanDerWaalsContact C-N 3.3Å; Q415-L417 PolarHBondContact O-N 2.77Å; L417-M419 HydrophobicContact CB-CE 4.04Å; L417-M419 HydrophobicContact CB-CG 3.83Å; L417-M419 HydrophobicContact CB-SD 4.14Å; L417-M419 HydrophobicContact CD1-CE 4.5Å; L417-M419 HydrophobicContact CD1-SD 4.09Å
418G97.6Very high97.8Very high71 Ų7192.5 Ų92.573%0.73247%0.47SS*.THydrogen-bonded Turntrans65.334-176.900000113.8A414 Q415 Y416A414-G418 PolarHBondContact O-N 3.44Å; Q415-G418 PolarHBondContact O-N 2.65Å; Y416-G418 VanDerWaalsContact C-N 3.34Å
419M96.9Very high97.7Very high64 Ų6494.3 Ų94.332%0.31548%0.48SS..SBendtrans-135.4161.3-178.164.8179.856.400112.5L409 A414 L417 F425L409-M419 HydrophobicContact CD1-SD 4.35Å; A414-M419 WeakPolarHBondContact CB-O 3.33Å; A414-M419 PolarHBondContact O-N 2.87Å; A414-M419 VanDerWaalsContact O-N 3.11Å; L417-M419 HydrophobicContact CB-CE 4.04Å; L417-M419 HydrophobicContact CB-CG 3.83Å; L417-M419 HydrophobicContact CB-SD 4.14Å; L417-M419 HydrophobicContact CD1-CE 4.5Å; L417-M419 HydrophobicContact CD1-SD 4.09Å; M419-F425 HydrophobicContact SD-CD1 4.22Å
420S97.6Very high97.7Very high62 Ų6297.5 Ų97.543%0.43449%0.49SS..  trans-66.2147173.2176.70000111.5D422 G423S420-D422 PolarHBondContact O-N 3.02Å; S420-D422 PolarHBondContact OG-N 2.67Å; S420-D422 VanDerWaalsContact OG-N 3.16Å; S420-G423 WeakPolarHBondContact CB-O 3.28Å; S420-G423 PolarHBondContact O-N 3.4Å
421R96.9Very high97.6Very high117 Ų117104.8 Ų104.844%0.44251%0.51SS..THydrogen-bonded Turntrans-65.8-21.8172.1-66.3177.571.4-162.5-4.9112.9L409 A414 F425L409-R421 VanDerWaalsContact O-CZ 3.25Å; L409-R421 PolarHBondContact O-NE 3.02Å; L409-R421 PolarHBondContact O-NH2 3.14Å; A414-R421 HydrophobicContact CB-CG 3.42Å; A414-R421 VanDerWaalsContact CB-CG 3.42Å; R421-F425 WeakPolarHBondContact O-CE1 3.31Å; R421-F425 WeakPolarHBondContact O-CZ 3.37Å
422D96.4Very high96.9Very high106 Ų106102.5 Ų102.557%0.56750%0.496SS*.THydrogen-bonded Turntrans-109.717-177.6-56.9-47.1000112.5S420S420-D422 PolarHBondContact O-N 3.02Å; S420-D422 PolarHBondContact OG-N 2.67Å; S420-D422 VanDerWaalsContact OG-N 3.16Å
423G96.7Very high96.9Very high5 Ų599.1 Ų99.15%0.05248%0.483CS..SBendtrans74.5-175.117700000114.9S420S420-G423 WeakPolarHBondContact CB-O 3.28Å; S420-G423 PolarHBondContact O-N 3.4Å
424P97.9Very high96.8Very high66 Ų6699.6 Ų99.643%0.42949%0.487SS..  cis-64.4144.90.926.3-33.7000113.1K388 E392K388-P424 HydrophobicContact CB-CB 4.26Å; K388-P424 HydrophobicContact CD-CB 3.97Å; K388-P424 HydrophobicContact CG-CB 4.16Å; E392-P424 WeakPolarHBondContact OE2-CA 3.34Å
425F98.2Very high96.7Very high66 Ų66104.8 Ų104.829%0.28951%0.511SS..  trans-94.1-6.8-170.7-61.6-69.1000114.3E392 L409 M419 R421E392-F425 PolarHBondContact OE1-N 3.34Å; E392-F425 WeakPolarHBondContact OE2-CD2 3.31Å; L409-F425 HydrophobicContact CD1-CE1 4.4Å; M419-F425 HydrophobicContact SD-CD1 4.22Å; R421-F425 WeakPolarHBondContact O-CE1 3.31Å; R421-F425 WeakPolarHBondContact O-CZ 3.37Å
426K98.4Very high96.6Very high87 Ų87101.5 Ų101.538%0.37850%0.497SS..SBendtrans-136.7147.9-176.1-63.6-64.4-175.3-60.30110.7K388 Y430K388-K426 HydrophobicContact CD-CB 4.36Å; K388-K426 WeakPolarHBondContact CD-O 3.38Å; K388-K426 WeakPolarHBondContact CE-O 3.35Å; K426-Y430 HydrophobicContact CB-CD1 3.46Å; K426-Y430 VanDerWaalsContact CB-CD1 3.46Å; K426-Y430 HydrophobicContact CB-CE1 4.15Å; K426-Y430 HydrophobicContact CB-CG 3.96Å; K426-Y430 HydrophobicContact CD-CD1 3.41Å; K426-Y430 VanDerWaalsContact CD-CD1 3.41Å; K426-Y430 HydrophobicContact CD-CD2 4.39Å; K426-Y430 HydrophobicContact CD-CE1 3.21Å; K426-Y430 HydrophobicContact CD-CE2 4.35Å; K426-Y430 HydrophobicContact CD-CG 4.01Å; K426-Y430 HydrophobicContact CG-CD1 3.3Å; K426-Y430 HydrophobicContact CG-CE1 3.44Å; K426-Y430 VanDerWaalsContact CG-CE1 3.44Å; K426-Y430 HydrophobicContact CG-CG 4.15Å
427P97.5Very high96.5Very high65 Ų6595.4 Ų95.442%0.42248%0.479SS..  trans-68.8164.1173.830.8-34.6000111K388 H429 Y430K388-P427 VanDerWaalsContact CE-O 3.29Å; K388-P427 WeakPolarHBondContact CE-O 3.46Å; K388-P427 PolarHBondContact NZ-O 3.25Å; P427-H429 VanDerWaalsContact C-N 3.33Å; P427-H429 PolarHBondContact O-N 3.32Å; P427-Y430 WeakPolarHBondContact O-CB 3.48Å; P427-Y430 PolarHBondContact O-N 2.99Å
428D96.6Very high96.4Very high142 Ų14295.7 Ų95.776%0.75948%0.479SS*.THydrogen-bonded Turntrans-62.9-37-174.1-66.2-28.7000113.6K388 Y430K388-D428 WeakPolarHBondContact CE-OD1 3.24Å; D428-Y430 PolarHBondContact O-N 3.38Å
429H96.6Very high96.3Very high159 Ų15997.5 Ų97.574%0.73646%0.461SS*.THydrogen-bonded Turntrans-77.51.6-179.966.2-96.8000114.5P427P427-H429 VanDerWaalsContact C-N 3.33Å; P427-H429 PolarHBondContact O-N 3.32Å
430Y98Very high96.2Very high103 Ų103100.1 Ų100.140%0.40447%0.473SS..  trans-71.5131.1-179-169.6-120.6000110.5K426 P427 D428 Y432K426-Y430 HydrophobicContact CB-CD1 3.46Å; K426-Y430 VanDerWaalsContact CB-CD1 3.46Å; K426-Y430 HydrophobicContact CB-CE1 4.15Å; K426-Y430 HydrophobicContact CB-CG 3.96Å; K426-Y430 HydrophobicContact CD-CD1 3.41Å; K426-Y430 VanDerWaalsContact CD-CD1 3.41Å; K426-Y430 HydrophobicContact CD-CD2 4.39Å; K426-Y430 HydrophobicContact CD-CE1 3.21Å; K426-Y430 HydrophobicContact CD-CE2 4.35Å; K426-Y430 HydrophobicContact CD-CG 4.01Å; K426-Y430 HydrophobicContact CG-CD1 3.3Å; K426-Y430 HydrophobicContact CG-CE1 3.44Å; K426-Y430 VanDerWaalsContact CG-CE1 3.44Å; K426-Y430 HydrophobicContact CG-CG 4.15Å; P427-Y430 WeakPolarHBondContact O-CB 3.48Å; P427-Y430 PolarHBondContact O-N 2.99Å; D428-Y430 PolarHBondContact O-N 3.38Å; Y430-Y432 WeakPolarHBondContact CD1-O 3.42Å; Y430-Y432 WeakPolarHBondContact CD1-OXT 3.45Å; Y430-Y432 WeakPolarHBondContact CE1-O 3.45Å; Y430-Y432 WeakPolarHBondContact CE1-OXT 3.34Å; Y430-Y432 PolarHBondContact O-N 3.25Å; Y430-Y432 PolarHBondContact OH-O 2.89Å
431R95.9Very high96.1Very high226 Ų226103.3 Ų103.385%0.85348%0.476SS*.  trans-91.470.3-178.3-59.2-175.1-178.892.3-0.8109.3
432Y83.9Confident96Very high97 Ų97102 Ų10238%0.3848%0.479SS..  trans870-174.8-58.9-82000116.8V184 S187 K188 Y430V184-Y432 HydrophobicContact CB-CD1 3.82Å; V184-Y432 HydrophobicContact CB-CE1 3.5Å; V184-Y432 VanDerWaalsContact CB-CE1 3.5Å; V184-Y432 HydrophobicContact CG1-CD1 3.13Å; V184-Y432 HydrophobicContact CG1-CE1 3.33Å; V184-Y432 HydrophobicContact CG1-CG 4.27Å; V184-Y432 HydrophobicContact CG2-CD1 3.88Å; V184-Y432 HydrophobicContact CG2-CE1 3.56Å; V184-Y432 WeakPolarHBondContact O-CE1 3.23Å; S187-Y432 WeakPolarHBondContact CB-OH 3.47Å; S187-Y432 PolarHBondContact OG-OH 2.8Å; K188-Y432 HydrophobicContact CB-CD1 3.63Å; K188-Y432 HydrophobicContact CB-CE1 3.39Å; K188-Y432 HydrophobicContact CB-CG 4.27Å; K188-Y432 HydrophobicContact CD-CD2 4.04Å; K188-Y432 HydrophobicContact CD-CE1 4.16Å; K188-Y432 HydrophobicContact CD-CE2 3.74Å; K188-Y432 VanDerWaalsContact CE-OH 3.28Å; K188-Y432 WeakPolarHBondContact CE-OH 3.3Å; K188-Y432 HydrophobicContact CG-CD1 3.29Å; K188-Y432 HydrophobicContact CG-CD2 3.49Å; K188-Y432 VanDerWaalsContact CG-CD2 3.49Å; K188-Y432 HydrophobicContact CG-CE1 2.89Å; K188-Y432 HydrophobicContact CG-CE2 3.28Å; K188-Y432 HydrophobicContact CG-CG 3.61Å; K188-Y432 WeakPolarHBondContact CG-OH 3.43Å; Y430-Y432 WeakPolarHBondContact CD1-O 3.42Å; Y430-Y432 WeakPolarHBondContact CD1-OXT 3.45Å; Y430-Y432 WeakPolarHBondContact CE1-O 3.45Å; Y430-Y432 WeakPolarHBondContact CE1-OXT 3.34Å; Y430-Y432 PolarHBondContact O-N 3.25Å; Y430-Y432 PolarHBondContact OH-O 2.89Å

Retrieved 432 of 432 residues in 777.6 ms (Link to these results)

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