A0A087XDY6_POEFO Loading...

Malate dehydrogenase

Catalyzes the reduction of aromatic alpha-keto acids in the presence of NADH. Plays essential roles in the malate-aspartate shuttle and the tricarboxylic acid cycle, important in mitochondrial NADH supply for oxidative phosphorylation. Catalyzes the reduction of 2-oxoglutarate to 2-hydroxyglutarate, leading to elevated reactive oxygen species (ROS).

AlphaFold DB , UniProt , Accession A0A087XDY6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 333 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
1M66.7Low94.5Very high220 Ų22052.8 Ų52.8100%1.08428%0.282SS*.  0142.60-77.2-176.6-90.300107.8
2A88.5Confident94.8Very high51 Ų5148.4 Ų48.442%0.42126%0.258SS..PPolyproline II helixtrans-61.2154.9172.900000110.3P35A2-P35 WeakPolarHBondContact O-CG 3.45Å
3E95.4Very high95Very high175 Ų17545.9 Ų45.982%0.81825%0.249SC*.PPolyproline II helixtrans-62.2139.6173.5-71.3-168.1154.300110.6I5 Q34E3-I5 PolarHBondContact O-N 3.26Å; E3-Q34 PolarHBondContact O-NE2 2.78Å
4P97.9Very high95.2Very high56 Ų5644.8 Ų44.836%0.36425%0.253SS..PPolyproline II helixtrans-62.9133.8177.5-19.530.6000111.8P35 I37 M66P4-P35 WeakPolarHBondContact CA-O 3.35Å; P4-P35 HydrophobicContact CB-CB 4.13Å; P4-P35 HydrophobicContact CG-CB 4.13Å; P4-I37 HydrophobicContact CB-CD1 4.14Å; P4-I37 HydrophobicContact CB-CG1 4.09Å; P4-M66 HydrophobicContact CB-CG 4.34Å; P4-M66 HydrophobicContact CG-CG 4.17Å
5I98.6Very high95.2Very high13 Ų1348.4 Ų48.47%0.06727%0.267CS..EExtended strand (participates in β ladder)trans-88.3146.4169.558.3171000110.6E3 V7 F30 Q34 P35 I36 I37 D82 W258E3-I5 PolarHBondContact O-N 3.26Å; I5-V7 HydrophobicContact CD1-CG2 4.01Å; I5-V7 HydrophobicContact CG1-CG2 4.14Å; I5-F30 HydrophobicContact CD1-CB 3.75Å; I5-F30 HydrophobicContact CD1-CD1 3.74Å; I5-F30 HydrophobicContact CD1-CD2 3.88Å; I5-F30 HydrophobicContact CD1-CE1 4.28Å; I5-F30 HydrophobicContact CD1-CE2 4.41Å; I5-F30 HydrophobicContact CD1-CG 3.51Å; I5-Q34 HydrophobicContact CD1-CG 3.78Å; I5-Q34 HydrophobicContact CG1-CG 3.88Å; I5-P35 PolarHBondContact N-O 2.87Å; I5-I36 HydrophobicContact CG1-CG1 4.3Å; I5-I37 PolarHBondContact O-N 2.93Å; I5-D82 WeakPolarHBondContact CA-OD2 3.46Å; I5-D82 HydrophobicContact CB-CB 4.13Å; I5-D82 HydrophobicContact CG2-CB 4.36Å; I5-W258 HydrophobicContact CD1-CH2 4.07Å; I5-W258 HydrophobicContact CD1-CZ2 3.86Å; I5-W258 HydrophobicContact CG2-CH2 4.2Å; I5-W258 HydrophobicContact CG2-CZ2 4.07Å
6R98.9Very high95.4Very high50 Ų5047.6 Ų47.619%0.18926%0.261CS..EExtended strand (participates in β ladder)trans-98.6119178.2-69.517769.477.12.3109.8I37 I39 K79 D80 I81 D82 A83R6-I37 HydrophobicContact CG-CB 4.17Å; R6-I37 HydrophobicContact CG-CD1 4.22Å; R6-I37 HydrophobicContact CG-CG2 4.48Å; R6-I39 HydrophobicContact CB-CD1 3.93Å; R6-K79 PolarHBondContact NE-O 2.85Å; R6-K79 PolarHBondContact NH2-O 3.05Å; R6-D80 WeakPolarHBondContact CD-O 3.34Å; R6-I81 HydrophobicContact CB-CB 4.47Å; R6-I81 HydrophobicContact CB-CG2 4.31Å; R6-D82 PolarHBondContact N-OD2 3.05Å; R6-D82 PolarHBondContact O-N 2.92Å; R6-A83 PolarHBondContact O-N 3.06Å
7V98.9Very high95.6Very high0 Ų044.8 Ų44.80%025%0.246CC..EExtended strand (participates in β ladder)trans-121.8115.8-175.8-176.10000109.5I5 F30 I36 I37 L38 I39 A83 I85I5-V7 HydrophobicContact CD1-CG2 4.01Å; I5-V7 HydrophobicContact CG1-CG2 4.14Å; V7-F30 HydrophobicContact CB-CE2 4.44Å; V7-F30 HydrophobicContact CG1-CE2 4.03Å; V7-F30 HydrophobicContact CG1-CZ 4.15Å; V7-F30 HydrophobicContact CG2-CD2 4.27Å; V7-F30 HydrophobicContact CG2-CE2 3.63Å; V7-F30 HydrophobicContact CG2-CZ 3.93Å; V7-I36 HydrophobicContact CB-CG2 4.35Å; V7-I36 HydrophobicContact CG2-CG2 4Å; V7-I37 PolarHBondContact N-O 3.33Å; V7-L38 HydrophobicContact CB-CD2 4.12Å; V7-L38 HydrophobicContact CG1-CD2 4.44Å; V7-I39 PolarHBondContact O-N 3.23Å; V7-A83 WeakPolarHBondContact CA-O 3.4Å; V7-A83 HydrophobicContact CG1-CB 4.27Å; V7-A83 HydrophobicContact CG2-CB 4.31Å; V7-I85 HydrophobicContact CG1-CD1 4.39Å
8V98.9Very high95.7Very high0 Ų048.6 Ų48.60%026%0.257CS..EExtended strand (participates in β ladder)trans-92.3136172.567.70000111.1T10 I39 L41 G77 F78 I81 A83 A84 I85V8-T10 HydrophobicContact CG2-CG2 4.41Å; V8-I39 CarbonylContact C-O 3.53Å; V8-I39 VanDerWaalsContact CA-O 3.31Å; V8-I39 WeakPolarHBondContact CA-O 3.33Å; V8-I39 HydrophobicContact CB-CB 4.14Å; V8-I39 HydrophobicContact CG2-CB 4.17Å; V8-I39 HydrophobicContact CG2-CG2 4.15Å; V8-L41 HydrophobicContact CG2-CB 4.19Å; V8-G77 WeakPolarHBondContact CB-O 3.23Å; V8-G77 VanDerWaalsContact CG2-O 3.32Å; V8-G77 WeakPolarHBondContact CG2-O 3.48Å; V8-F78 HydrophobicContact CG1-CD1 4.33Å; V8-F78 HydrophobicContact CG1-CE1 4.19Å; V8-I81 HydrophobicContact CB-CD1 4.37Å; V8-I81 HydrophobicContact CB-CG2 4.28Å; V8-I81 HydrophobicContact CG1-CD1 3.41Å; V8-I81 VanDerWaalsContact CG1-CD1 3.41Å; V8-I81 HydrophobicContact CG1-CG2 4.4Å; V8-A83 PolarHBondContact N-O 2.72Å; V8-A84 HydrophobicContact CG1-CB 3.65Å; V8-I85 PolarHBondContact O-N 2.96Å
9V98.9Very high95.9Very high0 Ų048.3 Ų48.30%026%0.259CS..EExtended strand (participates in β ladder)trans-118.5120.2166.6-176.30000107.6A12 A17 L20 L21 I24 I39 L41 I85 V87V9-A12 WeakPolarHBondContact O-CB 3.3Å; V9-A17 HydrophobicContact CG1-CB 3.98Å; V9-L20 HydrophobicContact CG1-CD2 4.4Å; V9-L21 HydrophobicContact CB-CD2 4.17Å; V9-L21 HydrophobicContact CG1-CD2 4.47Å; V9-L21 HydrophobicContact CG2-CD2 3.87Å; V9-I24 HydrophobicContact CG2-CD1 4Å; V9-I39 PolarHBondContact N-O 3.05Å; V9-L41 PolarHBondContact O-N 2.92Å; V9-I85 WeakPolarHBondContact CA-O 3.4Å; V9-I85 HydrophobicContact CG2-CB 4.38Å; V9-I85 HydrophobicContact CG2-CD1 4.4Å; V9-V87 HydrophobicContact CG1-CG2 4.28Å
10T98.8Very high96Very high2 Ų245.9 Ų45.91%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-92.2154.3175.575.70000111V8 A12 L41 F78 I85 L86 V87 G88V8-T10 HydrophobicContact CG2-CG2 4.41Å; T10-A12 PolarHBondContact O-N 3.14Å; T10-L41 CarbonylContact C-O 3.26Å; T10-L41 VanDerWaalsContact CA-O 3.31Å; T10-L41 WeakPolarHBondContact CA-O 3.45Å; T10-L41 HydrophobicContact CG2-CB 4.33Å; T10-L41 HydrophobicContact CG2-CD2 3.91Å; T10-F78 HydrophobicContact CG2-CZ 4.07Å; T10-I85 PolarHBondContact N-O 3.4Å; T10-L86 HydrophobicContact CG2-CD2 3.63Å; T10-L86 VanDerWaalsContact OG1-CA 3.31Å; T10-L86 WeakPolarHBondContact OG1-CA 3.38Å; T10-V87 VanDerWaalsContact O-CB 3.28Å; T10-V87 WeakPolarHBondContact O-CB 3.41Å; T10-V87 PolarHBondContact OG1-N 3.16Å; T10-V87 VanDerWaalsContact OG1-N 3.13Å; T10-G88 PolarHBondContact O-N 3.4Å; T10-G88 VanDerWaalsContact O-N 3.14Å; T10-G88 PolarHBondContact OG1-N 3.06Å
11G98Very high96.2Very high14 Ų1443.8 Ų43.814%0.14424%0.235CC..SBendtrans62.435.9-170.500000111.1A13 G14 L41 D42G11-A13 VanDerWaalsContact C-N 3.25Å; G11-A13 PolarHBondContact O-N 3.42Å; G11-G14 WeakPolarHBondContact O-CA 3.48Å; G11-G14 PolarHBondContact O-N 3.36Å; G11-L41 PolarHBondContact N-O 3.48Å; G11-D42 VanDerWaalsContact CA-OD2 3.23Å; G11-D42 WeakPolarHBondContact CA-OD2 3.48Å
12A98.3Very high97.7Very high0 Ų039 Ų390%021%0.206CC..THydrogen-bonded Turntrans-67.1-20.9-16900000114.3V9 T10 A17 L40 L41 D42 L50V9-A12 WeakPolarHBondContact O-CB 3.3Å; T10-A12 PolarHBondContact O-N 3.14Å; A12-A17 VanDerWaalsContact O-CB 3.29Å; A12-A17 WeakPolarHBondContact O-CB 3.35Å; A12-L40 HydrophobicContact CB-CB 3.69Å; A12-L40 HydrophobicContact CB-CD2 4.18Å; A12-L40 HydrophobicContact CB-CG 4.43Å; A12-L41 PolarHBondContact N-O 3.05Å; A12-D42 PolarHBondContact N-OD2 3.25Å; A12-L50 HydrophobicContact CB-CD1 3.62Å
13A97.7Very high98.2Very high16 Ų1637.7 Ų37.713%0.13219%0.193CC..THydrogen-bonded Turntrans-82.1-3.9171.600000112.7G11 D42 M46 V49 L50G11-A13 VanDerWaalsContact C-N 3.25Å; G11-A13 PolarHBondContact O-N 3.42Å; A13-D42 HydrophobicContact CB-CB 4.47Å; A13-D42 WeakPolarHBondContact CB-OD2 3.17Å; A13-D42 PolarHBondContact N-OD2 3.28Å; A13-M46 HydrophobicContact CB-CB 3.99Å; A13-M46 HydrophobicContact CB-CE 3.54Å; A13-V49 HydrophobicContact CB-CB 4.09Å; A13-V49 HydrophobicContact CB-CG1 3.85Å; A13-L50 HydrophobicContact CB-CD1 4.21Å
14G96.7Very high98.3Very high30 Ų3029.3 Ų29.331%0.30916%0.155SC..SBendtrans-79.4160.1-179.400000114.3G11 I16 A17 Y18G11-G14 WeakPolarHBondContact O-CA 3.48Å; G11-G14 PolarHBondContact O-N 3.36Å; G14-I16 VanDerWaalsContact C-N 3.33Å; G14-I16 PolarHBondContact O-N 3.22Å; G14-A17 PolarHBondContact O-N 2.85Å; G14-A17 VanDerWaalsContact O-N 3.11Å; G14-Y18 PolarHBondContact O-N 3Å
15Q96.2Very high98.3Very high99 Ų9926.7 Ų26.746%0.46314%0.137SC..Hα-helixtrans-56.5-38.9-177.2-73.1-75.4-34.800114.6S19 A243Q15-S19 PolarHBondContact O-N 3.26Å; Q15-S19 PolarHBondContact O-OG 3.49Å; Q15-A243 HydrophobicContact CB-CB 3.94Å
16I97.9Very high98.3Very high35 Ų3529 Ų2918%0.17915%0.147CC..Hα-helixtrans-66.2-47.1178-66.9170.2000109.9G14 S19 L20 V87 A243 A246 I250G14-I16 VanDerWaalsContact C-N 3.33Å; G14-I16 PolarHBondContact O-N 3.22Å; I16-S19 PolarHBondContact O-N 3.01Å; I16-L20 VanDerWaalsContact O-CB 3.25Å; I16-L20 WeakPolarHBondContact O-CB 3.46Å; I16-L20 PolarHBondContact O-N 3.04Å; I16-V87 HydrophobicContact CB-CG1 3.91Å; I16-V87 HydrophobicContact CD1-CG1 4Å; I16-V87 HydrophobicContact CG2-CG1 3.92Å; I16-A243 HydrophobicContact CG1-CB 4.36Å; I16-A246 HydrophobicContact CD1-CB 4.25Å; I16-A246 HydrophobicContact CG1-CB 4.25Å; I16-A246 HydrophobicContact CG2-CB 4.43Å; I16-I250 HydrophobicContact CG2-CD1 3.62Å
17A98.3Very high98.3Very high0 Ų026.8 Ų26.80%014%0.139CC..Hα-helixtrans-61.3-45.4178.500000110.8V9 A12 G14 S19 L20 L21V9-A17 HydrophobicContact CG1-CB 3.98Å; A12-A17 VanDerWaalsContact O-CB 3.29Å; A12-A17 WeakPolarHBondContact O-CB 3.35Å; G14-A17 PolarHBondContact O-N 2.85Å; G14-A17 VanDerWaalsContact O-N 3.11Å; A17-S19 PolarHBondContact O-N 3.14Å; A17-L20 WeakPolarHBondContact O-CA 3.33Å; A17-L20 WeakPolarHBondContact O-CB 3.44Å; A17-L20 PolarHBondContact O-N 2.92Å; A17-L21 HydrophobicContact CB-CD1 4.5Å; A17-L21 VanDerWaalsContact O-CG 3.24Å; A17-L21 WeakPolarHBondContact O-CG 3.45Å; A17-L21 PolarHBondContact O-N 2.69Å
18Y98.4Very high98.2Very high114 Ų11429 Ų2945%0.44715%0.151SC..Hα-helixtrans-54.3-39.1175.5-166.3-104.7000113.1G14 L20 V53 E56G14-Y18 PolarHBondContact O-N 3Å; Y18-L20 VanDerWaalsContact C-N 3.34Å; Y18-V53 HydrophobicContact CD2-CG2 4.12Å; Y18-V53 HydrophobicContact CE2-CG2 4.46Å; Y18-E56 WeakPolarHBondContact CE2-OE1 3.25Å; Y18-E56 PolarHBondContact OH-OE1 3.12Å; Y18-E56 PolarHBondContact OH-OE2 3.09Å
19S98.5Very high98.2Very high43 Ų4329 Ų2930%0.30115%0.151SC..Hα-helixtrans-77.4-15.4174.9-58.60000114.3Q15 I16 A17Q15-S19 PolarHBondContact O-N 3.26Å; Q15-S19 PolarHBondContact O-OG 3.49Å; I16-S19 PolarHBondContact O-N 3.01Å; A17-S19 PolarHBondContact O-N 3.14Å
20L98.8Very high98.2Very high0 Ų029.1 Ų29.10%015%0.152CC..Hα-helixtrans-99.6-43.5-172172.664.3000112.6V9 I16 A17 Y18 Y22 S23 I24 I85 A247 I250 C251V9-L20 HydrophobicContact CG1-CD2 4.4Å; I16-L20 VanDerWaalsContact O-CB 3.25Å; I16-L20 WeakPolarHBondContact O-CB 3.46Å; I16-L20 PolarHBondContact O-N 3.04Å; A17-L20 WeakPolarHBondContact O-CA 3.33Å; A17-L20 WeakPolarHBondContact O-CB 3.44Å; A17-L20 PolarHBondContact O-N 2.92Å; Y18-L20 VanDerWaalsContact C-N 3.34Å; L20-Y22 VanDerWaalsContact C-N 3.32Å; L20-Y22 PolarHBondContact O-N 3.26Å; L20-S23 WeakPolarHBondContact O-CA 3.46Å; L20-S23 WeakPolarHBondContact O-CB 3.36Å; L20-S23 PolarHBondContact O-N 2.91Å; L20-I24 HydrophobicContact CD1-CD1 3.94Å; L20-I24 HydrophobicContact CD1-CG1 3.98Å; L20-I24 HydrophobicContact CD2-CD1 3.99Å; L20-I24 HydrophobicContact CG-CD1 3.64Å; L20-I24 HydrophobicContact CG-CG1 4.12Å; L20-I24 PolarHBondContact O-N 3.09Å; L20-I24 VanDerWaalsContact O-N 3.09Å; L20-I85 HydrophobicContact CD2-CD1 4.23Å; L20-I85 HydrophobicContact CD2-CG2 4.1Å; L20-A247 HydrophobicContact CB-CB 3.87Å; L20-I250 HydrophobicContact CD1-CB 4.12Å; L20-I250 HydrophobicContact CD1-CG2 3.73Å; L20-I250 HydrophobicContact CD2-CD1 4.14Å; L20-I250 HydrophobicContact CD2-CG2 3.79Å; L20-I250 HydrophobicContact CG-CG2 4.43Å; L20-C251 VanDerWaalsContact CD1-SG 3.53Å
21L98.9Very high98.1Very high2 Ų229.8 Ų29.81%0.0116%0.159CC..Hα-helixtrans-57.6-43.3-168.6-69.3169.8000112.2V9 A17 S23 I24 A25 L38 L40 V53 L57V9-L21 HydrophobicContact CB-CD2 4.17Å; V9-L21 HydrophobicContact CG1-CD2 4.47Å; V9-L21 HydrophobicContact CG2-CD2 3.87Å; A17-L21 HydrophobicContact CB-CD1 4.5Å; A17-L21 VanDerWaalsContact O-CG 3.24Å; A17-L21 WeakPolarHBondContact O-CG 3.45Å; A17-L21 PolarHBondContact O-N 2.69Å; L21-S23 VanDerWaalsContact C-N 3.3Å; L21-S23 PolarHBondContact O-N 3.1Å; L21-I24 PolarHBondContact O-N 3.41Å; L21-A25 WeakPolarHBondContact O-CB 3.37Å; L21-A25 PolarHBondContact O-N 3.39Å; L21-L38 HydrophobicContact CD2-CD1 4.26Å; L21-L40 HydrophobicContact CD1-CD1 4.43Å; L21-L40 HydrophobicContact CD1-CD2 4Å; L21-L40 HydrophobicContact CD2-CD2 3.45Å; L21-L40 VanDerWaalsContact CD2-CD2 3.45Å; L21-L40 HydrophobicContact CG-CD2 4.37Å; L21-V53 HydrophobicContact CD1-CG1 3.57Å; L21-L57 HydrophobicContact CB-CD2 4.14Å; L21-L57 HydrophobicContact CD1-CD1 4.42Å
22Y98.7Very high98.1Very high119 Ų11934.9 Ų34.947%0.46718%0.177SC..Hα-helixtrans-55.7-44174.2175.6-108.9000112.4L20 A25 K26 L62L20-Y22 VanDerWaalsContact C-N 3.32Å; L20-Y22 PolarHBondContact O-N 3.26Å; Y22-A25 PolarHBondContact O-N 3.21Å; Y22-K26 HydrophobicContact CD1-CD 4.12Å; Y22-K26 HydrophobicContact CE1-CD 3.57Å; Y22-K26 WeakPolarHBondContact O-CB 3.3Å; Y22-K26 VanDerWaalsContact O-CG 3.3Å; Y22-K26 WeakPolarHBondContact O-CG 3.48Å; Y22-K26 PolarHBondContact O-N 3.43Å; Y22-L62 HydrophobicContact CD2-CD1 4.18Å; Y22-L62 HydrophobicContact CD2-CD2 4.47Å; Y22-L62 HydrophobicContact CE2-CD2 4.05Å
23S98.8Very high98.1Very high23 Ų2341.7 Ų41.716%0.16121%0.214CC..Hα-helixtrans-68.6-36.5-178.8-62.50000112.6L20 L21 D28 C251L20-S23 WeakPolarHBondContact O-CA 3.46Å; L20-S23 WeakPolarHBondContact O-CB 3.36Å; L20-S23 PolarHBondContact O-N 2.91Å; L21-S23 VanDerWaalsContact C-N 3.3Å; L21-S23 PolarHBondContact O-N 3.1Å; S23-D28 WeakPolarHBondContact O-CB 3.4Å; S23-D28 PolarHBondContact O-N 3.05Å; S23-D28 VanDerWaalsContact O-N 3.07Å; S23-C251 VanDerWaalsContact CB-SG 3.53Å
24I98.8Very high98.1Very high0 Ų042.3 Ų42.30%021%0.214CC..Hα-helixtrans-63.9-55.7172.6-64.1171.1000109.4V9 L20 L21 K26 G27 V29 F30 I36 L38 I85V9-I24 HydrophobicContact CG2-CD1 4Å; L20-I24 HydrophobicContact CD1-CD1 3.94Å; L20-I24 HydrophobicContact CD1-CG1 3.98Å; L20-I24 HydrophobicContact CD2-CD1 3.99Å; L20-I24 HydrophobicContact CG-CD1 3.64Å; L20-I24 HydrophobicContact CG-CG1 4.12Å; L20-I24 PolarHBondContact O-N 3.09Å; L20-I24 VanDerWaalsContact O-N 3.09Å; L21-I24 PolarHBondContact O-N 3.41Å; I24-K26 VanDerWaalsContact C-N 3.31Å; I24-K26 PolarHBondContact O-N 2.91Å; I24-G27 PolarHBondContact O-N 2.97Å; I24-V29 HydrophobicContact CB-CG2 4.49Å; I24-V29 HydrophobicContact CG1-CB 4.46Å; I24-V29 HydrophobicContact CG1-CG2 3.87Å; I24-F30 HydrophobicContact CG2-CD2 4.04Å; I24-F30 HydrophobicContact CG2-CE2 3.78Å; I24-I36 HydrophobicContact CG2-CD1 3.85Å; I24-I36 HydrophobicContact CG2-CG2 4.35Å; I24-I36 WeakPolarHBondContact O-CD1 3.45Å; I24-L38 HydrophobicContact CG2-CD2 3.73Å; I24-I85 HydrophobicContact CD1-CD1 3.7Å
25A98.4Very high98.2Very high0 Ų041.2 Ų41.20%020%0.201CC..Hα-helixtrans-65.6-27.4-172.800000114L21 Y22 G27 L38 L62 L65L21-A25 WeakPolarHBondContact O-CB 3.37Å; L21-A25 PolarHBondContact O-N 3.39Å; Y22-A25 PolarHBondContact O-N 3.21Å; A25-G27 VanDerWaalsContact C-N 3.27Å; A25-G27 PolarHBondContact O-N 3.02Å; A25-L38 HydrophobicContact CB-CD1 4.04Å; A25-L62 HydrophobicContact CB-CB 4.46Å; A25-L62 HydrophobicContact CB-CD1 3.36Å; A25-L62 HydrophobicContact CB-CG 4.49Å; A25-L65 HydrophobicContact CB-CB 4.32Å; A25-L65 HydrophobicContact CB-CD1 4.24Å; A25-L65 HydrophobicContact CB-CD2 4.11Å; A25-L65 HydrophobicContact CB-CG 4.48Å
26K97.7Very high98.3Very high62 Ų6236.5 Ų36.527%0.2718%0.179SC..THydrogen-bonded Turntrans-82.12.8172.976.3173.91551460114.8Y22 I24 D28 K32 L62Y22-K26 HydrophobicContact CD1-CD 4.12Å; Y22-K26 HydrophobicContact CE1-CD 3.57Å; Y22-K26 WeakPolarHBondContact O-CB 3.3Å; Y22-K26 VanDerWaalsContact O-CG 3.3Å; Y22-K26 WeakPolarHBondContact O-CG 3.48Å; Y22-K26 PolarHBondContact O-N 3.43Å; I24-K26 VanDerWaalsContact C-N 3.31Å; I24-K26 PolarHBondContact O-N 2.91Å; K26-D28 VanDerWaalsContact CE-CG 3.45Å; K26-D28 WeakPolarHBondContact CE-OD2 3.24Å; K26-D28 HydrophobicContact CG-CB 4.41Å; K26-D28 IonicContact NZ-OD1 2.68Å; K26-D28 IonicContact NZ-OD2 3.94Å; K26-D28 PolarHBondContact NZ-OD2 3.28Å; K26-K32 PolarHBondContact O-NZ 3Å; K26-L62 HydrophobicContact CB-CD2 4.04Å
27G98.1Very high98.4Very high3 Ų336.2 Ų36.23%0.03118%0.178CC..THydrogen-bonded Turntrans8216.4176.800000115.5I24 A25 V29 G31I24-G27 PolarHBondContact O-N 2.97Å; A25-G27 VanDerWaalsContact C-N 3.27Å; A25-G27 PolarHBondContact O-N 3.02Å; G27-V29 PolarHBondContact O-N 2.84Å; G27-G31 VanDerWaalsContact CA-O 3.27Å; G27-G31 WeakPolarHBondContact CA-O 3.29Å; G27-G31 CarbonylContact O-C 3.55Å; G27-G31 VanDerWaalsContact O-C 3.26Å; G27-G31 WeakPolarHBondContact O-CA 3.31Å; G27-G31 PolarHBondContact O-N 3.44Å
28D98.3Very high98.4Very high46 Ų4636.2 Ų36.225%0.24618%0.178CC..THydrogen-bonded Turntrans-73.6-16.3177.4-75.35.8000112.5S23 K26 K32 R255S23-D28 WeakPolarHBondContact O-CB 3.4Å; S23-D28 PolarHBondContact O-N 3.05Å; S23-D28 VanDerWaalsContact O-N 3.07Å; K26-D28 VanDerWaalsContact CE-CG 3.45Å; K26-D28 WeakPolarHBondContact CE-OD2 3.24Å; K26-D28 HydrophobicContact CG-CB 4.41Å; K26-D28 IonicContact NZ-OD1 2.68Å; K26-D28 IonicContact NZ-OD2 3.94Å; K26-D28 PolarHBondContact NZ-OD2 3.28Å; D28-K32 IonicContact OD1-NZ 2.72Å; D28-K32 PolarHBondContact OD1-NZ 3.29Å; D28-R255 PolarHBondContact O-NE 3.26Å; D28-R255 PolarHBondContact O-NH2 3.02Å
29V98.6Very high98.4Very high1 Ų130.8 Ų30.81%0.00616%0.156CC..THydrogen-bonded Turntrans-100.6-51.2-176.6-176.20000112I24 G27 C251 M254 F259I24-V29 HydrophobicContact CB-CG2 4.49Å; I24-V29 HydrophobicContact CG1-CB 4.46Å; I24-V29 HydrophobicContact CG1-CG2 3.87Å; G27-V29 PolarHBondContact O-N 2.84Å; V29-C251 HydrophobicContact CG2-CB 3.84Å; V29-M254 HydrophobicContact CG1-CB 3.46Å; V29-M254 VanDerWaalsContact CG1-CB 3.46Å; V29-F259 WeakPolarHBondContact O-CE2 3.47Å
30F98.4Very high98.4Very high3 Ų328.7 Ų28.71%0.01314%0.142CC..THydrogen-bonded Turntrans-107.8-0.5-171-57.1-71.7000114.4I5 V7 I24 Q34 I36 A83 M254 W258 F259I5-F30 HydrophobicContact CD1-CB 3.75Å; I5-F30 HydrophobicContact CD1-CD1 3.74Å; I5-F30 HydrophobicContact CD1-CD2 3.88Å; I5-F30 HydrophobicContact CD1-CE1 4.28Å; I5-F30 HydrophobicContact CD1-CE2 4.41Å; I5-F30 HydrophobicContact CD1-CG 3.51Å; V7-F30 HydrophobicContact CB-CE2 4.44Å; V7-F30 HydrophobicContact CG1-CE2 4.03Å; V7-F30 HydrophobicContact CG1-CZ 4.15Å; V7-F30 HydrophobicContact CG2-CD2 4.27Å; V7-F30 HydrophobicContact CG2-CE2 3.63Å; V7-F30 HydrophobicContact CG2-CZ 3.93Å; I24-F30 HydrophobicContact CG2-CD2 4.04Å; I24-F30 HydrophobicContact CG2-CE2 3.78Å; F30-Q34 HydrophobicContact CB-CB 4.36Å; F30-Q34 HydrophobicContact CB-CG 3.95Å; F30-Q34 WeakPolarHBondContact O-CB 3.39Å; F30-I36 HydrophobicContact CD2-CD1 3.97Å; F30-A83 HydrophobicContact CE1-CB 4.28Å; F30-A83 HydrophobicContact CZ-CB 4.05Å; F30-M254 HydrophobicContact CE1-CE 4.07Å; F30-M254 HydrophobicContact CZ-CE 4.16Å; F30-W258 HydrophobicContact CD1-CB 4.49Å; F30-W258 AromaticContact CD1-CD2 3.67Å; F30-W258 HydrophobicContact CD1-CD2 3.67Å; F30-W258 AromaticContact CD1-CE2 3.94Å; F30-W258 AromaticContact CD1-CE3 3.88Å; F30-W258 HydrophobicContact CD1-CE3 3.88Å; F30-W258 AromaticContact CD1-CG 3.97Å; F30-W258 HydrophobicContact CD1-CG 3.97Å; F30-W258 HydrophobicContact CD1-CZ2 4.37Å; F30-W258 HydrophobicContact CD1-CZ3 4.31Å; F30-W258 HydrophobicContact CE1-CD2 4.28Å; F30-W258 HydrophobicContact CE1-CE3 4.02Å; F30-W258 HydrophobicContact CE1-CZ3 4.3Å; F30-W258 PolarHBondContact O-NE1 2.72Å; F30-F259 VanDerWaalsContact C-CZ 3.49Å; F30-F259 WeakPolarHBondContact O-CZ 3.44Å
31G97.8Very high98.4Very high16 Ų1629.3 Ų29.317%0.16515%0.145CC..  trans114.8158.2177.100000113.5G27 D33G27-G31 VanDerWaalsContact CA-O 3.27Å; G27-G31 WeakPolarHBondContact CA-O 3.29Å; G27-G31 CarbonylContact O-C 3.55Å; G27-G31 VanDerWaalsContact O-C 3.26Å; G27-G31 WeakPolarHBondContact O-CA 3.31Å; G27-G31 PolarHBondContact O-N 3.44Å; G31-D33 PolarHBondContact O-N 2.96Å
32K97.7Very high98.4Very high121 Ų12130.3 Ų30.353%0.52615%0.151SC..THydrogen-bonded Turntrans-77.7-9-177.7-64.3-65.2174.5-1750114.3K26 D28 L64K26-K32 PolarHBondContact O-NZ 3Å; D28-K32 IonicContact OD1-NZ 2.72Å; D28-K32 PolarHBondContact OD1-NZ 3.29Å; K32-L64 WeakPolarHBondContact O-CD2 3.33Å
33D97.3Very high98.3Very high143 Ų14329.6 Ų29.677%0.76515%0.154SC*.THydrogen-bonded Turntrans-119.59.1-179-54-61.2000113G31 P35G31-D33 PolarHBondContact O-N 2.96Å; D33-P35 WeakPolarHBondContact O-CD 3.47Å
34Q98.5Very high98.3Very high29 Ų2932.2 Ų32.214%0.13617%0.17CC..  trans-100.4109-177.8177.360.175.900109.8E3 I5 F30E3-Q34 PolarHBondContact O-NE2 2.78Å; I5-Q34 HydrophobicContact CD1-CG 3.78Å; I5-Q34 HydrophobicContact CG1-CG 3.88Å; F30-Q34 HydrophobicContact CB-CB 4.36Å; F30-Q34 HydrophobicContact CB-CG 3.95Å; F30-Q34 WeakPolarHBondContact O-CB 3.39Å
35P98.6Very high98.2Very high6 Ų637 Ų374%0.03920%0.201CC..  trans-67.7149.1172.3-1732.2000111A2 P4 I5 D33 L64 M66A2-P35 WeakPolarHBondContact O-CG 3.45Å; P4-P35 WeakPolarHBondContact CA-O 3.35Å; P4-P35 HydrophobicContact CB-CB 4.13Å; P4-P35 HydrophobicContact CG-CB 4.13Å; I5-P35 PolarHBondContact N-O 2.87Å; D33-P35 WeakPolarHBondContact O-CD 3.47Å; P35-L64 CarbonylContact C-O 3.56Å; P35-L64 WeakPolarHBondContact CA-O 3.44Å; P35-M66 HydrophobicContact CB-CG 3.5Å; P35-M66 HydrophobicContact CB-SD 3.98Å
36I98.6Very high98.2Very high0 Ų039.7 Ų39.70%022%0.215CC..EExtended strand (participates in β ladder)trans-133134.2-171.7-56.5172.7000109.5I5 V7 I24 F30 L38 L64 M66I5-I36 HydrophobicContact CG1-CG1 4.3Å; V7-I36 HydrophobicContact CB-CG2 4.35Å; V7-I36 HydrophobicContact CG2-CG2 4Å; I24-I36 HydrophobicContact CG2-CD1 3.85Å; I24-I36 HydrophobicContact CG2-CG2 4.35Å; I24-I36 WeakPolarHBondContact O-CD1 3.45Å; F30-I36 HydrophobicContact CD2-CD1 3.97Å; I36-L38 HydrophobicContact CG2-CD2 3.74Å; I36-L38 HydrophobicContact CG2-CG 3.94Å; I36-L64 PolarHBondContact N-O 3.33Å; I36-M66 PolarHBondContact O-N 3.45Å
37I98.9Very high98.2Very high29 Ų2939 Ų3915%0.14921%0.213CC..EExtended strand (participates in β ladder)trans-102117.9160.6-64170000106.8P4 I5 R6 V7 I39 M66 D67 I69P4-I37 HydrophobicContact CB-CD1 4.14Å; P4-I37 HydrophobicContact CB-CG1 4.09Å; I5-I37 PolarHBondContact O-N 2.93Å; R6-I37 HydrophobicContact CG-CB 4.17Å; R6-I37 HydrophobicContact CG-CD1 4.22Å; R6-I37 HydrophobicContact CG-CG2 4.48Å; V7-I37 PolarHBondContact N-O 3.33Å; I37-I39 HydrophobicContact CG2-CD1 4.11Å; I37-M66 HydrophobicContact CG1-CB 4.29Å; I37-D67 HydrophobicContact CG1-CB 4.17Å; I37-D67 HydrophobicContact CG2-CB 4.1Å; I37-I69 HydrophobicContact CG2-CD1 3.93Å; I37-I69 HydrophobicContact CG2-CG1 4.44Å
38L98.8Very high98.2Very high0 Ų043.3 Ų43.30%024%0.241CC..EExtended strand (participates in β ladder)trans-92.7125177.9-76.6-175.4000110.5V7 L21 I24 A25 I36 L40 L57 L65 D67 V68 I69V7-L38 HydrophobicContact CB-CD2 4.12Å; V7-L38 HydrophobicContact CG1-CD2 4.44Å; L21-L38 HydrophobicContact CD2-CD1 4.26Å; I24-L38 HydrophobicContact CG2-CD2 3.73Å; A25-L38 HydrophobicContact CB-CD1 4.04Å; I36-L38 HydrophobicContact CG2-CD2 3.74Å; I36-L38 HydrophobicContact CG2-CG 3.94Å; L38-L40 HydrophobicContact CB-CD2 4.36Å; L38-L57 HydrophobicContact CD1-CD1 4.41Å; L38-L65 HydrophobicContact CB-CD1 3.95Å; L38-L65 HydrophobicContact CD1-CD1 3.62Å; L38-L65 HydrophobicContact CG-CD1 3.57Å; L38-D67 PolarHBondContact N-O 3.2Å; L38-V68 CarbonylContact O-C 3.57Å; L38-V68 WeakPolarHBondContact O-CA 3.5Å; L38-I69 PolarHBondContact O-N 3.19Å
39I98.9Very high98.2Very high0 Ų044.5 Ų44.50%025%0.249CC..EExtended strand (participates in β ladder)trans-107.1121.3172.6-54.590.1000107.7R6 V7 V8 V9 I37 I69 T71 I81R6-I39 HydrophobicContact CB-CD1 3.93Å; V7-I39 PolarHBondContact O-N 3.23Å; V8-I39 CarbonylContact C-O 3.53Å; V8-I39 VanDerWaalsContact CA-O 3.31Å; V8-I39 WeakPolarHBondContact CA-O 3.33Å; V8-I39 HydrophobicContact CB-CB 4.14Å; V8-I39 HydrophobicContact CG2-CB 4.17Å; V8-I39 HydrophobicContact CG2-CG2 4.15Å; V9-I39 PolarHBondContact N-O 3.05Å; I37-I39 HydrophobicContact CG2-CD1 4.11Å; I39-I69 HydrophobicContact CG1-CB 4.39Å; I39-I69 HydrophobicContact CG1-CD1 4.31Å; I39-I69 HydrophobicContact CG2-CB 4.49Å; I39-T71 HydrophobicContact CG2-CG2 4.15Å; I39-I81 HydrophobicContact CD1-CG2 4.19Å
40L98.8Very high98.1Very high0 Ų044.4 Ų44.40%025%0.249CC..EExtended strand (participates in β ladder)trans-108.4110.3-176.5-52.3-173.4000108.1A12 L21 L38 L50 V53 V54 L57 V68 I69 T71A12-L40 HydrophobicContact CB-CB 3.69Å; A12-L40 HydrophobicContact CB-CD2 4.18Å; A12-L40 HydrophobicContact CB-CG 4.43Å; L21-L40 HydrophobicContact CD1-CD1 4.43Å; L21-L40 HydrophobicContact CD1-CD2 4Å; L21-L40 HydrophobicContact CD2-CD2 3.45Å; L21-L40 VanDerWaalsContact CD2-CD2 3.45Å; L21-L40 HydrophobicContact CG-CD2 4.37Å; L38-L40 HydrophobicContact CB-CD2 4.36Å; L40-L50 HydrophobicContact CB-CD1 3.91Å; L40-L50 HydrophobicContact CB-CD2 3.9Å; L40-L50 HydrophobicContact CB-CG 4.09Å; L40-L50 HydrophobicContact CD1-CD1 4.17Å; L40-L50 HydrophobicContact CD1-CG 4.41Å; L40-L50 WeakPolarHBondContact O-CD2 3.43Å; L40-V53 HydrophobicContact CD1-CG1 4.27Å; L40-V54 HydrophobicContact CD1-CG2 4.06Å; L40-L57 HydrophobicContact CD1-CD1 4.08Å; L40-V68 HydrophobicContact CD1-CG1 3.66Å; L40-V68 HydrophobicContact CG-CG1 3.99Å; L40-I69 PolarHBondContact N-O 3.24Å; L40-T71 PolarHBondContact O-N 2.94Å
41L98.8Very high98.1Very high12 Ų1248.1 Ų48.16%0.06327%0.269CS..EExtended strand (participates in β ladder)trans-108.2124.1-179-179.268.5000110.1V8 V9 T10 G11 A12 T71 F78V8-L41 HydrophobicContact CG2-CB 4.19Å; V9-L41 PolarHBondContact O-N 2.92Å; T10-L41 CarbonylContact C-O 3.26Å; T10-L41 VanDerWaalsContact CA-O 3.31Å; T10-L41 WeakPolarHBondContact CA-O 3.45Å; T10-L41 HydrophobicContact CG2-CB 4.33Å; T10-L41 HydrophobicContact CG2-CD2 3.91Å; G11-L41 PolarHBondContact N-O 3.48Å; A12-L41 PolarHBondContact N-O 3.05Å; L41-T71 WeakPolarHBondContact CA-O 3.31Å; L41-T71 HydrophobicContact CD1-CG2 3.96Å; L41-F78 HydrophobicContact CD2-CD2 4.38Å; L41-F78 HydrophobicContact CD2-CE2 3.67Å; L41-F78 HydrophobicContact CD2-CZ 4.26Å
42D98.3Very high98.1Very high24 Ų2448.8 Ų48.813%0.12828%0.276CS..  trans-143178.3171.3-140.9-59.1000111.4G11 A12 A13 M46 L50 T71 D72G11-D42 VanDerWaalsContact CA-OD2 3.23Å; G11-D42 WeakPolarHBondContact CA-OD2 3.48Å; A12-D42 PolarHBondContact N-OD2 3.25Å; A13-D42 HydrophobicContact CB-CB 4.47Å; A13-D42 WeakPolarHBondContact CB-OD2 3.17Å; A13-D42 PolarHBondContact N-OD2 3.28Å; D42-M46 HydrophobicContact CB-CB 4.02Å; D42-M46 WeakPolarHBondContact OD1-CB 3.41Å; D42-M46 WeakPolarHBondContact OD1-CG 3.27Å; D42-L50 HydrophobicContact CB-CD2 4.45Å; D42-T71 PolarHBondContact N-O 3.11Å; D42-D72 VanDerWaalsContact O-CA 3.27Å; D42-D72 WeakPolarHBondContact O-CA 3.45Å
43I96.9Very high98.2Very high103 Ų10343.5 Ų43.553%0.52825%0.254SS..  trans-76.5155.8177.656.8168.6000111.3P45 M46I43-P45 VanDerWaalsContact C-CD 3.43Å; I43-P45 VanDerWaalsContact C-N 3.33Å; I43-P45 HydrophobicContact CD1-CG 4.39Å; I43-P45 VanDerWaalsContact O-N 3.14Å; I43-M46 HydrophobicContact CD1-CG 4.16Å; I43-M46 HydrophobicContact CG1-CB 4.18Å; I43-M46 HydrophobicContact CG1-CG 3.64Å; I43-M46 WeakPolarHBondContact O-CB 3.32Å; I43-M46 PolarHBondContact O-N 3.42Å
44P97.7Very high98.2Very high79 Ų7937.5 Ų37.551%0.51322%0.222SC..G310 helixtrans-51.5-41-176.5-2328.5000115.1M46 L47 D72P44-M46 PolarHBondContact O-N 2.92Å; P44-M46 VanDerWaalsContact O-N 3.13Å; P44-L47 WeakPolarHBondContact O-CG 2.89Å; P44-L47 PolarHBondContact O-N 3.24Å; P44-D72 HydrophobicContact CG-CB 4.12Å; P44-D72 WeakPolarHBondContact CG-OD2 3.41Å
45P97.5Very high98.2Very high99 Ų9941.5 Ų41.564%0.64324%0.242SC*.G310 helixtrans-63.1-18.3177.1-24.435.6000115.1I43I43-P45 VanDerWaalsContact C-CD 3.43Å; I43-P45 VanDerWaalsContact C-N 3.33Å; I43-P45 HydrophobicContact CD1-CG 4.39Å; I43-P45 VanDerWaalsContact O-N 3.14Å
46M97.7Very high98.2Very high58 Ų5845.5 Ų45.529%0.28626%0.261SS..G310 helixtrans-96.1-3.9-177.7-64.8-56.5-61.500113.3A13 D42 I43 P44 P48 V49 L50A13-M46 HydrophobicContact CB-CB 3.99Å; A13-M46 HydrophobicContact CB-CE 3.54Å; D42-M46 HydrophobicContact CB-CB 4.02Å; D42-M46 WeakPolarHBondContact OD1-CB 3.41Å; D42-M46 WeakPolarHBondContact OD1-CG 3.27Å; I43-M46 HydrophobicContact CD1-CG 4.16Å; I43-M46 HydrophobicContact CG1-CB 4.18Å; I43-M46 HydrophobicContact CG1-CG 3.64Å; I43-M46 WeakPolarHBondContact O-CB 3.32Å; I43-M46 PolarHBondContact O-N 3.42Å; P44-M46 PolarHBondContact O-N 2.92Å; P44-M46 VanDerWaalsContact O-N 3.13Å; M46-P48 VanDerWaalsContact C-CD 3.5Å; M46-V49 HydrophobicContact CE-CB 3.91Å; M46-V49 HydrophobicContact CE-CG1 4.1Å; M46-V49 HydrophobicContact CE-CG2 3.75Å; M46-V49 WeakPolarHBondContact O-CB 3.39Å; M46-V49 PolarHBondContact O-N 2.95Å; M46-L50 PolarHBondContact O-N 2.85Å
47L97.3Very high98.3Very high47 Ų4746 Ų4625%0.24626%0.263CS..Hα-helixtrans-54.1-43.1178.3-69.1176.6000113.5P44 V49 L50 D51 D72P44-L47 WeakPolarHBondContact O-CG 2.89Å; P44-L47 PolarHBondContact O-N 3.24Å; L47-V49 VanDerWaalsContact C-N 3.27Å; L47-V49 PolarHBondContact O-N 3.28Å; L47-L50 HydrophobicContact CD2-CD2 4.45Å; L47-L50 WeakPolarHBondContact O-CA 3.13Å; L47-L50 VanDerWaalsContact O-CB 3.31Å; L47-L50 WeakPolarHBondContact O-CB 3.46Å; L47-L50 PolarHBondContact O-N 2.82Å; L47-D51 PolarHBondContact O-N 3.18Å; L47-D72 HydrophobicContact CD1-CB 4.17Å; L47-D72 HydrophobicContact CD2-CB 4.05Å; L47-D72 HydrophobicContact CG-CB 4.29Å
48P98.1Very high98.2Very high93 Ų9350.7 Ų50.760%0.60428%0.284SS*.Hα-helixtrans-62.9-33.1177.4-23.535000113.5M46 L50 G52M46-P48 VanDerWaalsContact C-CD 3.5Å; P48-L50 VanDerWaalsContact C-N 3.34Å; P48-G52 PolarHBondContact O-N 2.9Å
49V98.2Very high98.2Very high71 Ų7157.1 Ų57.143%0.4332%0.319SS..Hα-helixtrans-70.2-38.6174.7-179.10000109.7A13 M46 L47 D51 G52 V53A13-V49 HydrophobicContact CB-CB 4.09Å; A13-V49 HydrophobicContact CB-CG1 3.85Å; M46-V49 HydrophobicContact CE-CB 3.91Å; M46-V49 HydrophobicContact CE-CG1 4.1Å; M46-V49 HydrophobicContact CE-CG2 3.75Å; M46-V49 WeakPolarHBondContact O-CB 3.39Å; M46-V49 PolarHBondContact O-N 2.95Å; L47-V49 VanDerWaalsContact C-N 3.27Å; L47-V49 PolarHBondContact O-N 3.28Å; V49-D51 VanDerWaalsContact C-N 3.34Å; V49-G52 PolarHBondContact O-N 3.37Å; V49-V53 PolarHBondContact O-N 3.25Å; V49-V53 VanDerWaalsContact O-N 3.09Å
50L97.2Very high98.2Very high0 Ų059.9 Ų59.90%034%0.338CS..Hα-helixtrans-64.7-38.7178.4-153.964000112.2A12 A13 L40 D42 M46 L47 P48 G52 V53 V54 P70A12-L50 HydrophobicContact CB-CD1 3.62Å; A13-L50 HydrophobicContact CB-CD1 4.21Å; L40-L50 HydrophobicContact CB-CD1 3.91Å; L40-L50 HydrophobicContact CB-CD2 3.9Å; L40-L50 HydrophobicContact CB-CG 4.09Å; L40-L50 HydrophobicContact CD1-CD1 4.17Å; L40-L50 HydrophobicContact CD1-CG 4.41Å; L40-L50 WeakPolarHBondContact O-CD2 3.43Å; D42-L50 HydrophobicContact CB-CD2 4.45Å; M46-L50 PolarHBondContact O-N 2.85Å; L47-L50 HydrophobicContact CD2-CD2 4.45Å; L47-L50 WeakPolarHBondContact O-CA 3.13Å; L47-L50 VanDerWaalsContact O-CB 3.31Å; L47-L50 WeakPolarHBondContact O-CB 3.46Å; L47-L50 PolarHBondContact O-N 2.82Å; P48-L50 VanDerWaalsContact C-N 3.34Å; L50-G52 VanDerWaalsContact C-N 3.27Å; L50-G52 PolarHBondContact O-N 2.95Å; L50-V53 WeakPolarHBondContact O-CB 3.48Å; L50-V53 PolarHBondContact O-N 2.86Å; L50-V53 VanDerWaalsContact O-N 3.1Å; L50-V54 WeakPolarHBondContact O-CG2 3.4Å; L50-V54 PolarHBondContact O-N 3.13Å; L50-P70 HydrophobicContact CD2-CB 3.64Å; L50-P70 HydrophobicContact CG-CB 3.97Å
51D98.1Very high98.2Very high80 Ų8063.9 Ų63.943%0.42837%0.37SS..Hα-helixtrans-57.9-41.9173.2-66.6-26.4000111.3L47 V49 V54 M55L47-D51 PolarHBondContact O-N 3.18Å; V49-D51 VanDerWaalsContact C-N 3.34Å; D51-V54 WeakPolarHBondContact O-CB 3.44Å; D51-V54 PolarHBondContact O-N 3.4Å; D51-M55 WeakPolarHBondContact O-CG 3.44Å; D51-M55 PolarHBondContact O-N 3.28Å
52G98.6Very high98.2Very high30 Ų3064.4 Ų64.431%0.30937%0.373SS..Hα-helixtrans-61.8-42.7173.200000113P48 V49 L50 V54 M55 E56P48-G52 PolarHBondContact O-N 2.9Å; V49-G52 PolarHBondContact O-N 3.37Å; L50-G52 VanDerWaalsContact C-N 3.27Å; L50-G52 PolarHBondContact O-N 2.95Å; G52-V54 VanDerWaalsContact C-N 3.29Å; G52-V54 PolarHBondContact O-N 2.83Å; G52-M55 WeakPolarHBondContact O-CB 3.39Å; G52-M55 PolarHBondContact O-N 2.87Å; G52-E56 PolarHBondContact O-N 3.07Å
53V98.6Very high98.1Very high11 Ų1169 Ų697%0.06741%0.405CS..Hα-helixtrans-62.7-37.3175.5174.90000111.6Y18 L21 L40 V49 L50 E56 L57Y18-V53 HydrophobicContact CD2-CG2 4.12Å; Y18-V53 HydrophobicContact CE2-CG2 4.46Å; L21-V53 HydrophobicContact CD1-CG1 3.57Å; L40-V53 HydrophobicContact CD1-CG1 4.27Å; V49-V53 PolarHBondContact O-N 3.25Å; V49-V53 VanDerWaalsContact O-N 3.09Å; L50-V53 WeakPolarHBondContact O-CB 3.48Å; L50-V53 PolarHBondContact O-N 2.86Å; L50-V53 VanDerWaalsContact O-N 3.1Å; V53-E56 PolarHBondContact O-N 3.39Å; V53-L57 HydrophobicContact CG1-CD1 4.23Å; V53-L57 WeakPolarHBondContact O-CG 3.46Å; V53-L57 PolarHBondContact O-N 2.93Å
54V98.7Very high98.2Very high16 Ų1665.3 Ų65.310%0.09739%0.385CS..Hα-helixtrans-64-44.4175.8173.30000110.9L40 L50 D51 G52 E56 L57 Q58 V68 P70L40-V54 HydrophobicContact CD1-CG2 4.06Å; L50-V54 WeakPolarHBondContact O-CG2 3.4Å; L50-V54 PolarHBondContact O-N 3.13Å; D51-V54 WeakPolarHBondContact O-CB 3.44Å; D51-V54 PolarHBondContact O-N 3.4Å; G52-V54 VanDerWaalsContact C-N 3.29Å; G52-V54 PolarHBondContact O-N 2.83Å; V54-E56 PolarHBondContact O-N 3.06Å; V54-L57 PolarHBondContact O-N 2.86Å; V54-Q58 WeakPolarHBondContact O-CG 3.31Å; V54-Q58 PolarHBondContact O-N 3.4Å; V54-V68 HydrophobicContact CG1-CB 4.45Å; V54-V68 HydrophobicContact CG1-CG1 4.38Å; V54-V68 HydrophobicContact CG2-CG1 3.84Å; V54-P70 HydrophobicContact CG2-CB 4.01Å; V54-P70 HydrophobicContact CG2-CG 3.94Å
55M98.8Very high98.3Very high113 Ų11362.9 Ų62.956%0.55737%0.368SS*.Hα-helixtrans-57.5-48.1175-66.3173.2-17500111D51 G52 L57 Q58 D59D51-M55 WeakPolarHBondContact O-CG 3.44Å; D51-M55 PolarHBondContact O-N 3.28Å; G52-M55 WeakPolarHBondContact O-CB 3.39Å; G52-M55 PolarHBondContact O-N 2.87Å; M55-L57 VanDerWaalsContact C-N 3.33Å; M55-L57 PolarHBondContact O-N 3.45Å; M55-Q58 WeakPolarHBondContact O-CB 3.43Å; M55-Q58 PolarHBondContact O-N 2.65Å; M55-Q58 VanDerWaalsContact O-N 3.14Å; M55-D59 VanDerWaalsContact O-CG 3.32Å; M55-D59 PolarHBondContact O-N 3.01Å
56E98.8Very high98.3Very high91 Ų9163.2 Ų63.243%0.42536%0.362SS..Hα-helixtrans-62.8-37.5178.6-68.6-161.5-103.200113Y18 G52 V53 V54 Q58 D59 C60Y18-E56 WeakPolarHBondContact CE2-OE1 3.25Å; Y18-E56 PolarHBondContact OH-OE1 3.12Å; Y18-E56 PolarHBondContact OH-OE2 3.09Å; G52-E56 PolarHBondContact O-N 3.07Å; V53-E56 PolarHBondContact O-N 3.39Å; V54-E56 PolarHBondContact O-N 3.06Å; E56-Q58 VanDerWaalsContact C-N 3.33Å; E56-Q58 PolarHBondContact O-N 2.94Å; E56-D59 PolarHBondContact O-N 3.13Å; E56-C60 PolarHBondContact O-N 3.06Å; E56-C60 PolarHBondContact O-SG 2.86Å
57L98.8Very high98.3Very high9 Ų964.3 Ų64.35%0.04737%0.369CS..Hα-helixtrans-64.9-36.2175.4-76.1170.7000112.6L21 L38 L40 V53 V54 M55 L65 V68L21-L57 HydrophobicContact CB-CD2 4.14Å; L21-L57 HydrophobicContact CD1-CD1 4.42Å; L38-L57 HydrophobicContact CD1-CD1 4.41Å; L40-L57 HydrophobicContact CD1-CD1 4.08Å; V53-L57 HydrophobicContact CG1-CD1 4.23Å; V53-L57 WeakPolarHBondContact O-CG 3.46Å; V53-L57 PolarHBondContact O-N 2.93Å; V54-L57 PolarHBondContact O-N 2.86Å; M55-L57 VanDerWaalsContact C-N 3.33Å; M55-L57 PolarHBondContact O-N 3.45Å; L57-L65 HydrophobicContact CB-CD2 4.07Å; L57-L65 HydrophobicContact CD2-CD2 4.42Å; L57-V68 HydrophobicContact CB-CG2 4.5Å; L57-V68 HydrophobicContact CD1-CG1 4.03Å; L57-V68 HydrophobicContact CD1-CG2 4.38Å
58Q98.3Very high98.4Very high128 Ų12863 Ų6360%0.59836%0.363SS*.Hα-helixtrans-68.8-44.9174.9-69.2168.4-8.300110.9V54 M55 E56 C60 A61V54-Q58 WeakPolarHBondContact O-CG 3.31Å; V54-Q58 PolarHBondContact O-N 3.4Å; M55-Q58 WeakPolarHBondContact O-CB 3.43Å; M55-Q58 PolarHBondContact O-N 2.65Å; M55-Q58 VanDerWaalsContact O-N 3.14Å; E56-Q58 VanDerWaalsContact C-N 3.33Å; E56-Q58 PolarHBondContact O-N 2.94Å; Q58-C60 PolarHBondContact O-N 2.83Å; Q58-A61 PolarHBondContact O-N 3.18Å
59D98.8Very high98.4Very high136 Ų13660.3 Ų60.373%0.72734%0.344SS*.Hα-helixtrans-63.1-24.5177.9-69.2-16.5000112.9M55 E56 A61M55-D59 VanDerWaalsContact O-CG 3.32Å; M55-D59 PolarHBondContact O-N 3.01Å; E56-D59 PolarHBondContact O-N 3.13Å; D59-A61 PolarHBondContact O-N 2.91Å
60C98.6Very high98.5Very high58 Ų5859.3 Ų59.339%0.39234%0.338SS..THydrogen-bonded Turntrans-68.6-11.9174.2-71.90000114.3E56 Q58 L62E56-C60 PolarHBondContact O-N 3.06Å; E56-C60 PolarHBondContact O-SG 2.86Å; Q58-C60 PolarHBondContact O-N 2.83Å; C60-L62 VanDerWaalsContact C-N 3.34Å; C60-L62 HydrophobicContact CB-CD1 3.76Å; C60-L62 HydrophobicContact CB-CD2 4.22Å; C60-L62 HydrophobicContact CB-CG 3.63Å; C60-L62 PolarHBondContact O-N 3.26Å
61A98.3Very high98.5Very high83 Ų8359.8 Ų59.869%0.68634%0.341SS*.THydrogen-bonded Turntrans48.849.417900000113.7Q58 D59 P63Q58-A61 PolarHBondContact O-N 3.18Å; D59-A61 PolarHBondContact O-N 2.91Å; A61-P63 WeakPolarHBondContact O-CD 3.32Å
62L98.3Very high98.5Very high23 Ų2358.8 Ų58.812%0.1234%0.336CS..  trans-86.3109.9-173.7-62.4171.7000111.1Y22 A25 K26 C60 L64 L65Y22-L62 HydrophobicContact CD2-CD1 4.18Å; Y22-L62 HydrophobicContact CD2-CD2 4.47Å; Y22-L62 HydrophobicContact CE2-CD2 4.05Å; A25-L62 HydrophobicContact CB-CB 4.46Å; A25-L62 HydrophobicContact CB-CD1 3.36Å; A25-L62 HydrophobicContact CB-CG 4.49Å; K26-L62 HydrophobicContact CB-CD2 4.04Å; C60-L62 VanDerWaalsContact C-N 3.34Å; C60-L62 HydrophobicContact CB-CD1 3.76Å; C60-L62 HydrophobicContact CB-CD2 4.22Å; C60-L62 HydrophobicContact CB-CG 3.63Å; C60-L62 PolarHBondContact O-N 3.26Å; L62-L64 PolarHBondContact O-N 3.46Å; L62-L64 VanDerWaalsContact O-N 3.14Å; L62-L65 HydrophobicContact CB-CB 4.07Å; L62-L65 WeakPolarHBondContact O-CB 3.41Å; L62-L65 PolarHBondContact O-N 2.96Å
63P97.9Very high98.5Very high122 Ų12262.8 Ų62.879%0.79235%0.345SS*.THydrogen-bonded Turntrans-69.3-17.8-169.227.4-36.4000114.7A61A61-P63 WeakPolarHBondContact O-CD 3.32Å
64L98.4Very high98.4Very high24 Ų2464.6 Ų64.613%0.12636%0.356CS..THydrogen-bonded Turntrans-83.7-16.2175.5-61.8174.9000112.4K32 P35 I36 L62 M66K32-L64 WeakPolarHBondContact O-CD2 3.33Å; P35-L64 CarbonylContact C-O 3.56Å; P35-L64 WeakPolarHBondContact CA-O 3.44Å; I36-L64 PolarHBondContact N-O 3.33Å; L62-L64 PolarHBondContact O-N 3.46Å; L62-L64 VanDerWaalsContact O-N 3.14Å; L64-M66 PolarHBondContact O-N 3.19Å
65L98.6Very high98.4Very high28 Ų2867.8 Ų67.815%0.14737%0.37CS..EExtended strand (participates in β ladder)trans-8497.3-177.9-172.559000109.5A25 L38 L57 L62 V68A25-L65 HydrophobicContact CB-CB 4.32Å; A25-L65 HydrophobicContact CB-CD1 4.24Å; A25-L65 HydrophobicContact CB-CD2 4.11Å; A25-L65 HydrophobicContact CB-CG 4.48Å; L38-L65 HydrophobicContact CB-CD1 3.95Å; L38-L65 HydrophobicContact CD1-CD1 3.62Å; L38-L65 HydrophobicContact CG-CD1 3.57Å; L57-L65 HydrophobicContact CB-CD2 4.07Å; L57-L65 HydrophobicContact CD2-CD2 4.42Å; L62-L65 HydrophobicContact CB-CB 4.07Å; L62-L65 WeakPolarHBondContact O-CB 3.41Å; L62-L65 PolarHBondContact O-N 2.96Å; L65-V68 HydrophobicContact CD1-CG2 3.93Å; L65-V68 HydrophobicContact CD2-CG2 3.55Å; L65-V68 HydrophobicContact CG-CG2 3.8Å
66M98.4Very high98.3Very high106 Ų10664.9 Ų64.952%0.52236%0.358SS..EExtended strand (participates in β ladder)trans-79.1-32.3-174.9-61.6-57.7-59.900112.6P4 P35 I36 I37 L64P4-M66 HydrophobicContact CB-CG 4.34Å; P4-M66 HydrophobicContact CG-CG 4.17Å; P35-M66 HydrophobicContact CB-CG 3.5Å; P35-M66 HydrophobicContact CB-SD 3.98Å; I36-M66 PolarHBondContact O-N 3.45Å; I37-M66 HydrophobicContact CG1-CB 4.29Å; L64-M66 PolarHBondContact O-N 3.19Å
67D98.4Very high98.3Very high81 Ų8160.6 Ų60.643%0.43334%0.338SS..EExtended strand (participates in β ladder)trans-161153.8-179.4-166.714.4000110.8I37 L38I37-D67 HydrophobicContact CG1-CB 4.17Å; I37-D67 HydrophobicContact CG2-CB 4.1Å; L38-D67 PolarHBondContact N-O 3.2Å
68V98.7Very high98.3Very high20 Ų2060.1 Ų60.112%0.12134%0.336CS..EExtended strand (participates in β ladder)trans-131.9117.6175.7-1700000109.3L38 L40 V54 L57 L65 P70L38-V68 CarbonylContact O-C 3.57Å; L38-V68 WeakPolarHBondContact O-CA 3.5Å; L40-V68 HydrophobicContact CD1-CG1 3.66Å; L40-V68 HydrophobicContact CG-CG1 3.99Å; V54-V68 HydrophobicContact CG1-CB 4.45Å; V54-V68 HydrophobicContact CG1-CG1 4.38Å; V54-V68 HydrophobicContact CG2-CG1 3.84Å; L57-V68 HydrophobicContact CB-CG2 4.5Å; L57-V68 HydrophobicContact CD1-CG1 4.03Å; L57-V68 HydrophobicContact CD1-CG2 4.38Å; L65-V68 HydrophobicContact CD1-CG2 3.93Å; L65-V68 HydrophobicContact CD2-CG2 3.55Å; L65-V68 HydrophobicContact CG-CG2 3.8Å; V68-P70 VanDerWaalsContact O-CD 3.3Å; V68-P70 WeakPolarHBondContact O-CD 3.49Å
69I98.7Very high98.3Very high37 Ų3759.5 Ų59.519%0.1933%0.331CS..EExtended strand (participates in β ladder)trans-114.495-173.9-53.7174.6000109.3I37 L38 I39 L40 V76I37-I69 HydrophobicContact CG2-CD1 3.93Å; I37-I69 HydrophobicContact CG2-CG1 4.44Å; L38-I69 PolarHBondContact O-N 3.19Å; I39-I69 HydrophobicContact CG1-CB 4.39Å; I39-I69 HydrophobicContact CG1-CD1 4.31Å; I39-I69 HydrophobicContact CG2-CB 4.49Å; L40-I69 PolarHBondContact N-O 3.24Å; I69-V76 HydrophobicContact CG2-CG1 3.93Å
70P98.6Very high98.3Very high49 Ų4956.7 Ų56.732%0.31832%0.316SS..EExtended strand (participates in β ladder)trans-73.5137.6168.832.3-35.5000110.7L50 V54 V68L50-P70 HydrophobicContact CD2-CB 3.64Å; L50-P70 HydrophobicContact CG-CB 3.97Å; V54-P70 HydrophobicContact CG2-CB 4.01Å; V54-P70 HydrophobicContact CG2-CG 3.94Å; V68-P70 VanDerWaalsContact O-CD 3.3Å; V68-P70 WeakPolarHBondContact O-CD 3.49Å
71T98.6Very high98.3Very high11 Ų1154 Ų547%0.06730%0.298CS..EExtended strand (participates in β ladder)trans-158.1154.4178.6-177.60000111.8I39 L40 L41 D42 K73 V76I39-T71 HydrophobicContact CG2-CG2 4.15Å; L40-T71 PolarHBondContact O-N 2.94Å; L41-T71 WeakPolarHBondContact CA-O 3.31Å; L41-T71 HydrophobicContact CD1-CG2 3.96Å; D42-T71 PolarHBondContact N-O 3.11Å; T71-K73 PolarHBondContact OG1-N 3.47Å; T71-K73 PolarHBondContact OG1-O 3Å; T71-V76 HydrophobicContact CG2-CB 4.1Å; T71-V76 HydrophobicContact CG2-CG1 3.97Å
72D98.1Very high98.4Very high58 Ų5851.2 Ų51.231%0.3127%0.272SS..SBendtrans-106.3-5.2164.563.6-14.9000112.9D42 P44 L47D42-D72 VanDerWaalsContact O-CA 3.27Å; D42-D72 WeakPolarHBondContact O-CA 3.45Å; P44-D72 HydrophobicContact CG-CB 4.12Å; P44-D72 WeakPolarHBondContact CG-OD2 3.41Å; L47-D72 HydrophobicContact CD1-CB 4.17Å; L47-D72 HydrophobicContact CD2-CB 4.05Å; L47-D72 HydrophobicContact CG-CB 4.29Å
73K98.3Very high98.4Very high114 Ų11450.1 Ų50.150%0.49627%0.266SS..  trans-91.6124.1-177.8-58.9-175.2-174.61760111.5T71 E75 V76 G77T71-K73 PolarHBondContact OG1-N 3.47Å; T71-K73 PolarHBondContact OG1-O 3Å; K73-E75 VanDerWaalsContact C-N 3.31Å; K73-E75 HydrophobicContact CB-CG 4.41Å; K73-E75 PolarHBondContact O-N 3.3Å; K73-V76 HydrophobicContact CB-CB 4.36Å; K73-V76 HydrophobicContact CB-CG2 4.05Å; K73-V76 PolarHBondContact O-N 3.31Å; K73-G77 PolarHBondContact O-N 3.24Å
74V96.7Very high98.4Very high50 Ų5044.3 Ų44.330%0.30323%0.228SC..Hα-helixtrans-64.1-35.2-179.5-65.30000112.2V76 G77 F78 A115V74-V76 VanDerWaalsContact C-N 3.3Å; V74-V76 PolarHBondContact O-N 2.94Å; V74-G77 PolarHBondContact O-N 3.39Å; V74-F78 HydrophobicContact CB-CD2 4.25Å; V74-F78 VanDerWaalsContact O-CD2 3.31Å; V74-F78 WeakPolarHBondContact O-CD2 3.48Å; V74-F78 PolarHBondContact O-N 3.4Å; V74-A115 HydrophobicContact CB-CB 4.2Å
75E97.6Very high98.5Very high82 Ų8243.2 Ų43.238%0.38322%0.222SC..Hα-helixtrans-65.5-32.5178.263.5-85.7-160.600112.7K73 K79 Y119K73-E75 VanDerWaalsContact C-N 3.31Å; K73-E75 HydrophobicContact CB-CG 4.41Å; K73-E75 PolarHBondContact O-N 3.3Å; E75-K79 WeakPolarHBondContact O-CB 3.27Å; E75-Y119 HydrophobicContact CB-CD2 4.32Å; E75-Y119 HydrophobicContact CB-CE1 4.12Å; E75-Y119 HydrophobicContact CB-CE2 3.77Å
76V98.4Very high98.5Very high53 Ų5341.9 Ų41.932%0.32122%0.215SC..Hα-helixtrans-77.5-44.4172.8179.50000109.6I69 T71 K73 V74 F78 K79I69-V76 HydrophobicContact CG2-CG1 3.93Å; T71-V76 HydrophobicContact CG2-CB 4.1Å; T71-V76 HydrophobicContact CG2-CG1 3.97Å; K73-V76 HydrophobicContact CB-CB 4.36Å; K73-V76 HydrophobicContact CB-CG2 4.05Å; K73-V76 PolarHBondContact O-N 3.31Å; V74-V76 VanDerWaalsContact C-N 3.3Å; V74-V76 PolarHBondContact O-N 2.94Å; V76-F78 VanDerWaalsContact C-N 3.32Å; V76-F78 PolarHBondContact O-N 2.83Å; V76-K79 PolarHBondContact O-N 3Å
77G98.2Very high98.5Very high0 Ų037.6 Ų37.60%020%0.195CC..Hα-helixtrans-55.1-42.7-178.400000113.9V8 K73 V74V8-G77 WeakPolarHBondContact CB-O 3.23Å; V8-G77 VanDerWaalsContact CG2-O 3.32Å; V8-G77 WeakPolarHBondContact CG2-O 3.48Å; K73-G77 PolarHBondContact O-N 3.24Å; V74-G77 PolarHBondContact O-N 3.39Å
78F98.8Very high98.2Very high0 Ų034.6 Ų34.60%018%0.183CC..THydrogen-bonded Turntrans-103.43.6-171.7-70.1-77.5000114.4V8 T10 L41 V74 V76 D80 I81 L86 Q112 A115 L116 Y119 A120V8-F78 HydrophobicContact CG1-CD1 4.33Å; V8-F78 HydrophobicContact CG1-CE1 4.19Å; T10-F78 HydrophobicContact CG2-CZ 4.07Å; L41-F78 HydrophobicContact CD2-CD2 4.38Å; L41-F78 HydrophobicContact CD2-CE2 3.67Å; L41-F78 HydrophobicContact CD2-CZ 4.26Å; V74-F78 HydrophobicContact CB-CD2 4.25Å; V74-F78 VanDerWaalsContact O-CD2 3.31Å; V74-F78 WeakPolarHBondContact O-CD2 3.48Å; V74-F78 PolarHBondContact O-N 3.4Å; V76-F78 VanDerWaalsContact C-N 3.32Å; V76-F78 PolarHBondContact O-N 2.83Å; F78-D80 PolarHBondContact O-N 2.79Å; F78-I81 HydrophobicContact CD1-CD1 3.73Å; F78-I81 HydrophobicContact CE1-CD1 4.44Å; F78-L86 HydrophobicContact CE1-CD2 3.86Å; F78-L86 HydrophobicContact CZ-CD2 3.97Å; F78-Q112 HydrophobicContact CE2-CB 4.41Å; F78-Q112 HydrophobicContact CE2-CG 4.18Å; F78-Q112 HydrophobicContact CZ-CB 3.97Å; F78-Q112 HydrophobicContact CZ-CG 3.94Å; F78-A115 HydrophobicContact CB-CB 4.23Å; F78-A115 HydrophobicContact CD2-CB 3.52Å; F78-A115 HydrophobicContact CE2-CB 4.09Å; F78-A115 HydrophobicContact CG-CB 3.95Å; F78-L116 HydrophobicContact CD1-CD2 3.53Å; F78-L116 HydrophobicContact CD1-CG 3.63Å; F78-L116 HydrophobicContact CE1-CD1 4.31Å; F78-L116 HydrophobicContact CE1-CD2 3.79Å; F78-L116 HydrophobicContact CE1-CG 3.7Å; F78-Y119 CarbonylContact O-C 3.59Å; F78-A120 VanDerWaalsContact O-CA 3.26Å; F78-A120 WeakPolarHBondContact O-CA 3.35Å; F78-A120 PolarHBondContact O-N 2.84Å
79K98.8Very high97.8Very high114 Ų11435.6 Ų35.650%0.49619%0.191SC..THydrogen-bonded Turntrans-71.4121.6-177.2-178.7173.1-179.1-174.60113.2R6 E75 V76 I81 Y119R6-K79 PolarHBondContact NE-O 2.85Å; R6-K79 PolarHBondContact NH2-O 3.05Å; E75-K79 WeakPolarHBondContact O-CB 3.27Å; V76-K79 PolarHBondContact O-N 3Å; K79-I81 PolarHBondContact O-N 3.48Å; K79-I81 VanDerWaalsContact O-N 3.13Å; K79-Y119 WeakPolarHBondContact CA-O 3.45Å
80D98.6Very high97.4Very high78 Ų7837.1 Ų37.142%0.41720%0.198SC..THydrogen-bonded Turntrans55.726.6171.8-58-46.9000114.2R6 F78 Y119 K121R6-D80 WeakPolarHBondContact CD-O 3.34Å; F78-D80 PolarHBondContact O-N 2.79Å; D80-Y119 PolarHBondContact N-O 3.45Å; D80-K121 WeakPolarHBondContact O-CE 3.23Å
81I98.9Very high96.6Very high0 Ų039.3 Ų39.30%021%0.212CC..  trans-74.3147.7-176.161.7168.6000113.2R6 V8 I39 F78 K79 A84 L116 A120 K121 V124R6-I81 HydrophobicContact CB-CB 4.47Å; R6-I81 HydrophobicContact CB-CG2 4.31Å; V8-I81 HydrophobicContact CB-CD1 4.37Å; V8-I81 HydrophobicContact CB-CG2 4.28Å; V8-I81 HydrophobicContact CG1-CD1 3.41Å; V8-I81 VanDerWaalsContact CG1-CD1 3.41Å; V8-I81 HydrophobicContact CG1-CG2 4.4Å; I39-I81 HydrophobicContact CD1-CG2 4.19Å; F78-I81 HydrophobicContact CD1-CD1 3.73Å; F78-I81 HydrophobicContact CE1-CD1 4.44Å; K79-I81 PolarHBondContact O-N 3.48Å; K79-I81 VanDerWaalsContact O-N 3.13Å; I81-A84 HydrophobicContact CD1-CB 3.8Å; I81-L116 HydrophobicContact CD1-CD2 3.8Å; I81-A120 HydrophobicContact CD1-CB 4.11Å; I81-A120 HydrophobicContact CG1-CB 3.55Å; I81-K121 WeakPolarHBondContact O-CB 3.37Å; I81-V124 HydrophobicContact CD1-CG2 3.92Å; I81-V124 HydrophobicContact CG1-CG2 3.85Å
82D98.8Very high95.7Very high26 Ų2647 Ų4714%0.13924%0.24CC..SBendtrans-98.8-28.8175.6-63-75.8000112.1I5 R6 K121 V124 K125I5-D82 WeakPolarHBondContact CA-OD2 3.46Å; I5-D82 HydrophobicContact CB-CB 4.13Å; I5-D82 HydrophobicContact CG2-CB 4.36Å; R6-D82 PolarHBondContact N-OD2 3.05Å; R6-D82 PolarHBondContact O-N 2.92Å; D82-K121 VanDerWaalsContact OD1-CD 3.28Å; D82-K121 WeakPolarHBondContact OD1-CD 3.15Å; D82-K121 IonicContact OD1-NZ 3.94Å; D82-K121 PolarHBondContact OD1-NZ 2.62Å; D82-K121 IonicContact OD2-NZ 3.78Å; D82-K121 PolarHBondContact OD2-NZ 2.79Å; D82-V124 WeakPolarHBondContact O-CA 3.23Å; D82-K125 PolarHBondContact O-N 3.36Å
83A98.9Very high94.8Very high0 Ų050.6 Ų50.60%025%0.253CS..EExtended strand (participates in β ladder)trans-140.5141.8175.700000111.6R6 V7 V8 F30 K125 M254R6-A83 PolarHBondContact O-N 3.06Å; V7-A83 WeakPolarHBondContact CA-O 3.4Å; V7-A83 HydrophobicContact CG1-CB 4.27Å; V7-A83 HydrophobicContact CG2-CB 4.31Å; V8-A83 PolarHBondContact N-O 2.72Å; F30-A83 HydrophobicContact CE1-CB 4.28Å; F30-A83 HydrophobicContact CZ-CB 4.05Å; A83-K125 CarbonylContact C-O 3.47Å; A83-K125 VanDerWaalsContact CA-O 3.31Å; A83-K125 WeakPolarHBondContact CA-O 3.24Å; A83-M254 HydrophobicContact CB-CE 3.81Å
84A98.9Very high93.6Very high0 Ų054.9 Ų54.90%028%0.275CS..EExtended strand (participates in β ladder)trans-125.3121.7175.700000110.7V8 I81 L86 L116 V124 K125 V126 L127V8-A84 HydrophobicContact CG1-CB 3.65Å; I81-A84 HydrophobicContact CD1-CB 3.8Å; A84-L86 HydrophobicContact CB-CD2 3.98Å; A84-L116 HydrophobicContact CB-CD2 4.02Å; A84-V124 HydrophobicContact CB-CG2 4.32Å; A84-K125 PolarHBondContact N-O 3.17Å; A84-V126 HydrophobicContact CB-CG1 4.32Å; A84-V126 HydrophobicContact CB-CG2 4.27Å; A84-V126 WeakPolarHBondContact O-CA 3.34Å; A84-L127 PolarHBondContact O-N 2.83Å
85I98.9Very high92.8Very high1 Ų156.3 Ų56.31%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-110.898175-53.1175000107.5V7 V8 V9 T10 L20 I24 V87 V129 I250 M254V7-I85 HydrophobicContact CG1-CD1 4.39Å; V8-I85 PolarHBondContact O-N 2.96Å; V9-I85 WeakPolarHBondContact CA-O 3.4Å; V9-I85 HydrophobicContact CG2-CB 4.38Å; V9-I85 HydrophobicContact CG2-CD1 4.4Å; T10-I85 PolarHBondContact N-O 3.4Å; L20-I85 HydrophobicContact CD2-CD1 4.23Å; L20-I85 HydrophobicContact CD2-CG2 4.1Å; I24-I85 HydrophobicContact CD1-CD1 3.7Å; I85-V87 HydrophobicContact CG2-CG2 3.8Å; I85-V87 PolarHBondContact O-N 3.45Å; I85-V129 HydrophobicContact CG2-CG2 4.32Å; I85-I250 HydrophobicContact CD1-CG2 4.06Å; I85-I250 HydrophobicContact CG2-CG2 3.79Å; I85-M254 HydrophobicContact CD1-CG 4.23Å; I85-M254 HydrophobicContact CG1-CG 4.4Å
86L98.8Very high91.9Very high0 Ų053.9 Ų53.90%029%0.289CS..EExtended strand (participates in β ladder)trans-88.984.3-172.6-49.4-173.7000110.3T10 F78 A84 F109 L116 V126 L127 V128 V129 G130T10-L86 HydrophobicContact CG2-CD2 3.63Å; T10-L86 VanDerWaalsContact OG1-CA 3.31Å; T10-L86 WeakPolarHBondContact OG1-CA 3.38Å; F78-L86 HydrophobicContact CE1-CD2 3.86Å; F78-L86 HydrophobicContact CZ-CD2 3.97Å; A84-L86 HydrophobicContact CB-CD2 3.98Å; L86-F109 HydrophobicContact CB-CE1 3.68Å; L86-F109 HydrophobicContact CB-CZ 4.34Å; L86-F109 HydrophobicContact CD1-CD1 4.14Å; L86-F109 HydrophobicContact CD1-CE1 3.98Å; L86-F109 HydrophobicContact CG-CE1 4.49Å; L86-L116 HydrophobicContact CD1-CD1 4.24Å; L86-V126 HydrophobicContact CD1-CG1 3.75Å; L86-V126 HydrophobicContact CG-CG1 4.12Å; L86-L127 PolarHBondContact N-O 2.95Å; L86-V128 HydrophobicContact CD1-CG2 4.1Å; L86-V129 PolarHBondContact O-N 2.79Å; L86-G130 PolarHBondContact O-N 2.8Å
87V97.9Very high91.1Very high16 Ų1657.4 Ų57.410%0.09730%0.301CS..  trans-91.4-32.6179.1-167.30000111.9V9 T10 I16 I85 S89 V129 I250V9-V87 HydrophobicContact CG1-CG2 4.28Å; T10-V87 VanDerWaalsContact O-CB 3.28Å; T10-V87 WeakPolarHBondContact O-CB 3.41Å; T10-V87 PolarHBondContact OG1-N 3.16Å; T10-V87 VanDerWaalsContact OG1-N 3.13Å; I16-V87 HydrophobicContact CB-CG1 3.91Å; I16-V87 HydrophobicContact CD1-CG1 4Å; I16-V87 HydrophobicContact CG2-CG1 3.92Å; I85-V87 HydrophobicContact CG2-CG2 3.8Å; I85-V87 PolarHBondContact O-N 3.45Å; V87-S89 PolarHBondContact O-N 3.23Å; V87-S89 VanDerWaalsContact O-N 3.11Å; V87-V129 HydrophobicContact CG1-CG1 4.43Å; V87-V129 HydrophobicContact CG2-CB 4.34Å; V87-V129 HydrophobicContact CG2-CG2 4.38Å; V87-I250 HydrophobicContact CG2-CD1 4.46Å
88G93.1Very high90.2Very high17 Ų1763.8 Ų63.818%0.17533%0.325CS..  trans-60.5111.5-177.400000112.4T10T10-G88 PolarHBondContact O-N 3.4Å; T10-G88 VanDerWaalsContact O-N 3.14Å; T10-G88 PolarHBondContact OG1-N 3.06Å
89S91.2Very high89.4Confident41 Ų4169.7 Ų69.729%0.28735%0.351SS..  trans-144.8151.9172.759.70000109V87 P91 N105 G130V87-S89 PolarHBondContact O-N 3.23Å; V87-S89 VanDerWaalsContact O-N 3.11Å; S89-P91 WeakPolarHBondContact O-CD 3.21Å; S89-N105 WeakPolarHBondContact CA-OD1 3.4Å; S89-N105 WeakPolarHBondContact CB-OD1 3.11Å; S89-G130 WeakPolarHBondContact OG-CA 3.34Å
90M88.4Confident88.7Confident70 Ų7068 Ų6835%0.34535%0.348SS..PPolyproline II helixtrans-63.8123.3172.6-171.4172.8-66.500109.1M96 L101 A104 N105M90-M96 HydrophobicContact SD-CE 4Å; M90-L101 VanDerWaalsContact O-CD1 3.27Å; M90-L101 WeakPolarHBondContact O-CD1 3.33Å; M90-A104 HydrophobicContact CE-CB 4.41Å; M90-A104 HydrophobicContact SD-CB 4.13Å; M90-N105 PolarHBondContact N-OD1 3.39Å; M90-N105 PolarHBondContact O-ND2 2.95Å
91P83.1Confident88.2Confident95 Ų9565.7 Ų65.762%0.61734%0.335SS*.PPolyproline II helixtrans-69.7150.2171.729.9-33.9000109.6S89 K93S89-P91 WeakPolarHBondContact O-CD 3.21Å; P91-K93 PolarHBondContact O-N 2.87Å
92R78.7Confident87.8Confident172 Ų17266.2 Ų66.265%0.64934%0.338SS*.PPolyproline II helixtrans-60.5125.5173.3-168.4176.7-179-174-1.9109.9M96 L101R92-M96 HydrophobicContact CG-CB 4.37Å; R92-M96 PolarHBondContact NE-O 2.93Å; R92-M96 PolarHBondContact NH2-O 3.5Å; R92-L101 HydrophobicContact CB-CD1 4.43Å; R92-L101 HydrophobicContact CB-CD2 3.89Å; R92-L101 HydrophobicContact CG-CD2 4.22Å
93K79.2Confident87.4Confident133 Ų13370.5 Ų70.558%0.57836%0.355SS*.PPolyproline II helixtrans-92.3157.4172.1-62.6-174.4-179.3-179.30110.8P91 G95 M96P91-K93 PolarHBondContact O-N 2.87Å; K93-G95 PolarHBondContact O-N 2.99Å; K93-M96 HydrophobicContact CB-CE 4.25Å; K93-M96 HydrophobicContact CG-CE 4.35Å; K93-M96 VanDerWaalsContact O-CB 3.25Å; K93-M96 WeakPolarHBondContact O-CB 3.28Å; K93-M96 PolarHBondContact O-N 3.25Å; K93-M96 VanDerWaalsContact O-N 3.15Å
94E74.5Confident87.1Confident204 Ų20471.9 Ų71.995%0.95337%0.367SS*.THydrogen-bonded Turntrans-57.1137.3171-169.5170.2-168.600110.2M96E94-M96 VanDerWaalsContact C-N 3.26Å; E94-M96 PolarHBondContact O-N 2.83Å
95G78.2Confident86.9Confident80 Ų8071.9 Ų71.983%0.82537%0.367SS*.THydrogen-bonded Turntrans79.4-8.4-175.400000115.9K93K93-G95 PolarHBondContact O-N 2.99Å
96M80.3Confident86.7Confident32 Ų3271.9 Ų71.916%0.15837%0.367CS..  trans-79.5128.7179.7-168.7178.7-79.300112M90 R92 K93 E94 D100 L101M90-M96 HydrophobicContact SD-CE 4Å; R92-M96 HydrophobicContact CG-CB 4.37Å; R92-M96 PolarHBondContact NE-O 2.93Å; R92-M96 PolarHBondContact NH2-O 3.5Å; K93-M96 HydrophobicContact CB-CE 4.25Å; K93-M96 HydrophobicContact CG-CE 4.35Å; K93-M96 VanDerWaalsContact O-CB 3.25Å; K93-M96 WeakPolarHBondContact O-CB 3.28Å; K93-M96 PolarHBondContact O-N 3.25Å; K93-M96 VanDerWaalsContact O-N 3.15Å; E94-M96 VanDerWaalsContact C-N 3.26Å; E94-M96 PolarHBondContact O-N 2.83Å; M96-D100 HydrophobicContact CG-CB 3.66Å; M96-L101 HydrophobicContact CG-CB 4.37Å; M96-L101 HydrophobicContact SD-CB 3.81Å; M96-L101 HydrophobicContact SD-CD1 3.76Å; M96-L101 HydrophobicContact SD-CG 4.4Å
97E82Confident86.5Confident126 Ų12674 Ų7459%0.58939%0.385SS*.  trans-74.8160.5172.5-60.6-161.5150.200111.6K99 D100 L101E97-K99 PolarHBondContact O-N 3.37Å; E97-D100 WeakPolarHBondContact CB-OD2 3.44Å; E97-D100 PolarHBondContact N-OD2 2.9Å; E97-D100 PolarHBondContact O-N 3.03Å; E97-L101 PolarHBondContact O-N 3.48Å
98R78.1Confident86.4Confident134 Ų13475.9 Ų75.951%0.50639%0.393SS..Hα-helixtrans-58.1-37.5176.4-175.7179.5179.7169.63.1111.4L102 E319 E323R98-L102 WeakPolarHBondContact O-CB 3.36Å; R98-L102 PolarHBondContact O-N 3.39Å; R98-E319 IonicContact CZ-OE1 2.62Å; R98-E319 IonicContact NH1-OE1 3.17Å; R98-E319 PolarHBondContact NH1-OE1 3.02Å; R98-E319 IonicContact NH2-OE1 3.94Å; R98-E319 PolarHBondContact NH2-OE1 3.46Å; R98-E323 IonicContact CZ-OE1 2.68Å; R98-E323 IonicContact NE-OE1 2.77Å; R98-E323 IonicContact NH2-OE1 3.03Å; R98-E323 PolarHBondContact NH2-OE1 3.23Å
99K82.5Confident86.7Confident124 Ų12475 Ų7554%0.53939%0.385SS..Hα-helixtrans-67.5-39.7-179.9-70.9-173.9177.7-176.80112.6E97 L102 K103 F330E97-K99 PolarHBondContact O-N 3.37Å; K99-L102 PolarHBondContact O-N 3.31Å; K99-K103 WeakPolarHBondContact O-CB 3.48Å; K99-K103 PolarHBondContact O-N 2.85Å; K99-F330 HydrophobicContact CB-CZ 4.29Å
100D84.6Confident87Confident79 Ų7977 Ų7742%0.42239%0.388SS..Hα-helixtrans-64.7-44.2177.2-60.2-37.9000111.4M96 E97 L102 K103 A104M96-D100 HydrophobicContact CG-CB 3.66Å; E97-D100 WeakPolarHBondContact CB-OD2 3.44Å; E97-D100 PolarHBondContact N-OD2 2.9Å; E97-D100 PolarHBondContact O-N 3.03Å; D100-L102 VanDerWaalsContact C-N 3.34Å; D100-L102 PolarHBondContact O-N 2.83Å; D100-K103 PolarHBondContact O-N 3.17Å; D100-A104 WeakPolarHBondContact O-CB 3.48Å; D100-A104 PolarHBondContact O-N 3.47Å
101L86.8Confident87.4Confident30 Ų3077.6 Ų77.616%0.15740%0.396CS..Hα-helixtrans-62.3-43.2176.6-175.266.4000111.4M90 R92 M96 E97 N105M90-L101 VanDerWaalsContact O-CD1 3.27Å; M90-L101 WeakPolarHBondContact O-CD1 3.33Å; R92-L101 HydrophobicContact CB-CD1 4.43Å; R92-L101 HydrophobicContact CB-CD2 3.89Å; R92-L101 HydrophobicContact CG-CD2 4.22Å; M96-L101 HydrophobicContact CG-CB 4.37Å; M96-L101 HydrophobicContact SD-CB 3.81Å; M96-L101 HydrophobicContact SD-CD1 3.76Å; M96-L101 HydrophobicContact SD-CG 4.4Å; E97-L101 PolarHBondContact O-N 3.48Å; L101-N105 WeakPolarHBondContact CD1-ND2 3.23Å; L101-N105 WeakPolarHBondContact O-CB 3.49Å; L101-N105 PolarHBondContact O-N 3.1Å; L101-N105 PolarHBondContact O-ND2 3.36Å
102L90.1Very high88.2Confident11 Ų1173.8 Ų73.86%0.05837%0.37CS..Hα-helixtrans-59.2-51.4174.5176.566.3000110.4R98 K99 D100 A104 N105 V106 P132 T135 T326 A327 F330R98-L102 WeakPolarHBondContact O-CB 3.36Å; R98-L102 PolarHBondContact O-N 3.39Å; K99-L102 PolarHBondContact O-N 3.31Å; D100-L102 VanDerWaalsContact C-N 3.34Å; D100-L102 PolarHBondContact O-N 2.83Å; L102-A104 PolarHBondContact O-N 2.87Å; L102-N105 PolarHBondContact O-N 3.2Å; L102-V106 HydrophobicContact CD1-CG2 3.64Å; L102-V106 HydrophobicContact CG-CG2 4.14Å; L102-V106 VanDerWaalsContact O-CB 3.22Å; L102-V106 WeakPolarHBondContact O-CB 3.31Å; L102-V106 WeakPolarHBondContact O-CG2 3.49Å; L102-V106 PolarHBondContact O-N 3.04Å; L102-P132 HydrophobicContact CD1-CG 3.46Å; L102-P132 VanDerWaalsContact CD1-CG 3.46Å; L102-T135 HydrophobicContact CD1-CG2 3.95Å; L102-T326 HydrophobicContact CD2-CG2 3.8Å; L102-A327 HydrophobicContact CD1-CB 4.47Å; L102-F330 HydrophobicContact CD2-CE2 4.34Å
103K91.8Very high89.1Confident115 Ų11565.6 Ų65.650%0.534%0.339SS..Hα-helixtrans-56.7-47.6179.9-176.6172.4177177.90112.3K99 D100 A107 F330K99-K103 WeakPolarHBondContact O-CB 3.48Å; K99-K103 PolarHBondContact O-N 2.85Å; D100-K103 PolarHBondContact O-N 3.17Å; K103-A107 PolarHBondContact O-N 3.13Å; K103-F330 HydrophobicContact CB-CD2 3.64Å; K103-F330 HydrophobicContact CB-CE2 3.74Å; K103-F330 HydrophobicContact CB-CG 4.15Å; K103-F330 HydrophobicContact CB-CZ 4.36Å; K103-F330 HydrophobicContact CD-CD1 4.15Å; K103-F330 HydrophobicContact CD-CD2 4.49Å; K103-F330 HydrophobicContact CD-CE1 4.4Å; K103-F330 HydrophobicContact CD-CG 4.2Å; K103-F330 HydrophobicContact CG-CB 4.24Å; K103-F330 HydrophobicContact CG-CD1 4.46Å; K103-F330 HydrophobicContact CG-CD2 4.02Å; K103-F330 HydrophobicContact CG-CE2 4.46Å; K103-F330 HydrophobicContact CG-CG 4.01Å
104A92.3Very high90.1Very high29 Ų2962 Ų6224%0.2433%0.331CS..Hα-helixtrans-63.8-46.7-179.500000112M90 D100 L102 A107 I108M90-A104 HydrophobicContact CE-CB 4.41Å; M90-A104 HydrophobicContact SD-CB 4.13Å; D100-A104 WeakPolarHBondContact O-CB 3.48Å; D100-A104 PolarHBondContact O-N 3.47Å; L102-A104 PolarHBondContact O-N 2.87Å; A104-A107 PolarHBondContact O-N 2.96Å; A104-I108 WeakPolarHBondContact O-CG1 3.46Å; A104-I108 PolarHBondContact O-N 3.14Å
105N94.1Very high91.2Very high1 Ų152.5 Ų52.51%0.00529%0.287CS..Hα-helixtrans-71.4-40.2-178.3-76.1-42.9000112.3S89 M90 L101 L102 A107 I108 F109 N131S89-N105 WeakPolarHBondContact CA-OD1 3.4Å; S89-N105 WeakPolarHBondContact CB-OD1 3.11Å; M90-N105 PolarHBondContact N-OD1 3.39Å; M90-N105 PolarHBondContact O-ND2 2.95Å; L101-N105 WeakPolarHBondContact CD1-ND2 3.23Å; L101-N105 WeakPolarHBondContact O-CB 3.49Å; L101-N105 PolarHBondContact O-N 3.1Å; L101-N105 PolarHBondContact O-ND2 3.36Å; L102-N105 PolarHBondContact O-N 3.2Å; N105-A107 VanDerWaalsContact C-N 3.25Å; N105-A107 PolarHBondContact O-N 2.94Å; N105-I108 WeakPolarHBondContact O-CA 3.31Å; N105-I108 WeakPolarHBondContact O-CB 3.47Å; N105-I108 PolarHBondContact O-N 3.18Å; N105-F109 VanDerWaalsContact O-CD2 3.31Å; N105-F109 WeakPolarHBondContact O-CD2 3.34Å; N105-F109 PolarHBondContact O-N 3.29Å; N105-N131 PolarHBondContact ND2-O 3.26Å
106V94.1Very high92.2Very high0 Ų048.7 Ų48.70%025%0.248CC..Hα-helixtrans-57.1-39176.1161.20000111.8L102 F109 K110 T135 I139 A327 L331L102-V106 HydrophobicContact CD1-CG2 3.64Å; L102-V106 HydrophobicContact CG-CG2 4.14Å; L102-V106 VanDerWaalsContact O-CB 3.22Å; L102-V106 WeakPolarHBondContact O-CB 3.31Å; L102-V106 WeakPolarHBondContact O-CG2 3.49Å; L102-V106 PolarHBondContact O-N 3.04Å; V106-F109 PolarHBondContact O-N 3.48Å; V106-K110 WeakPolarHBondContact O-CB 3.31Å; V106-K110 PolarHBondContact O-N 2.88Å; V106-T135 HydrophobicContact CG2-CG2 4.4Å; V106-I139 HydrophobicContact CG1-CD1 4.45Å; V106-I139 HydrophobicContact CG1-CG1 3.95Å; V106-I139 HydrophobicContact CG1-CG2 4.14Å; V106-I139 HydrophobicContact CG2-CG1 4.27Å; V106-A327 HydrophobicContact CG1-CB 4.17Å; V106-A327 HydrophobicContact CG2-CB 3.72Å; V106-L331 HydrophobicContact CG1-CD1 3.54Å; V106-L331 HydrophobicContact CG1-CD2 3.76Å; V106-L331 HydrophobicContact CG1-CG 3.55Å
107A95.8Very high93.1Very high46 Ų4649.1 Ų49.138%0.3825%0.25SS..Hα-helixtrans-63.2-43174.100000112.5K103 A104 N105 F109 K110 T111K103-A107 PolarHBondContact O-N 3.13Å; A104-A107 PolarHBondContact O-N 2.96Å; N105-A107 VanDerWaalsContact C-N 3.25Å; N105-A107 PolarHBondContact O-N 2.94Å; A107-F109 PolarHBondContact O-N 3.11Å; A107-K110 PolarHBondContact O-N 2.98Å; A107-T111 PolarHBondContact O-N 3.35Å; A107-T111 VanDerWaalsContact O-N 3.09Å; A107-T111 PolarHBondContact O-OG1 3.46Å
108I96.5Very high93.9Very high54 Ų5449.9 Ų49.928%0.27725%0.252SS..Hα-helixtrans-59-47.8176.1-66167.8000110.4A104 N105 T111 Q112A104-I108 WeakPolarHBondContact O-CG1 3.46Å; A104-I108 PolarHBondContact O-N 3.14Å; N105-I108 WeakPolarHBondContact O-CA 3.31Å; N105-I108 WeakPolarHBondContact O-CB 3.47Å; N105-I108 PolarHBondContact O-N 3.18Å; I108-T111 PolarHBondContact O-N 2.83Å; I108-Q112 HydrophobicContact CG2-CG 4.42Å; I108-Q112 WeakPolarHBondContact O-CG 3.31Å; I108-Q112 PolarHBondContact O-N 2.88Å
109F98.2Very high94.9Very high0 Ų047 Ų470%024%0.242CC..Hα-helixtrans-73.9-26.1-177.3-79.3-89.4000113.4L86 N105 V106 A107 G113 V128 N136 A140L86-F109 HydrophobicContact CB-CE1 3.68Å; L86-F109 HydrophobicContact CB-CZ 4.34Å; L86-F109 HydrophobicContact CD1-CD1 4.14Å; L86-F109 HydrophobicContact CD1-CE1 3.98Å; L86-F109 HydrophobicContact CG-CE1 4.49Å; N105-F109 VanDerWaalsContact O-CD2 3.31Å; N105-F109 WeakPolarHBondContact O-CD2 3.34Å; N105-F109 PolarHBondContact O-N 3.29Å; V106-F109 PolarHBondContact O-N 3.48Å; A107-F109 PolarHBondContact O-N 3.11Å; F109-G113 PolarHBondContact O-N 2.83Å; F109-V128 HydrophobicContact CD1-CG1 4.17Å; F109-V128 HydrophobicContact CD1-CG2 4.43Å; F109-V128 HydrophobicContact CE1-CB 4.37Å; F109-V128 HydrophobicContact CE1-CG1 3.5Å; F109-V128 HydrophobicContact CE1-CG2 4.16Å; F109-V128 HydrophobicContact CZ-CG1 3.94Å; F109-N136 HydrophobicContact CB-CB 4.11Å; F109-N136 HydrophobicContact CD1-CB 3.84Å; F109-N136 HydrophobicContact CD2-CB 3.52Å; F109-N136 WeakPolarHBondContact CD2-ND2 3.28Å; F109-N136 HydrophobicContact CE1-CB 4.11Å; F109-N136 HydrophobicContact CE2-CB 3.84Å; F109-N136 WeakPolarHBondContact CE2-ND2 3.31Å; F109-N136 HydrophobicContact CG-CB 3.53Å; F109-N136 HydrophobicContact CZ-CB 4.12Å; F109-A140 HydrophobicContact CB-CB 4.46Å; F109-A140 HydrophobicContact CD1-CB 4.39Å; F109-A140 WeakPolarHBondContact O-CA 3.46Å
110K98Very high95.7Very high83 Ų8341.4 Ų41.436%0.36122%0.219SC..Hα-helixtrans-61.1-50.4165.9178.2174.4-179.8-179.80110.7V106 A107 Q112 G113 S114 I139 S143 L331V106-K110 WeakPolarHBondContact O-CB 3.31Å; V106-K110 PolarHBondContact O-N 2.88Å; A107-K110 PolarHBondContact O-N 2.98Å; K110-Q112 PolarHBondContact O-N 3.32Å; K110-G113 PolarHBondContact O-N 2.87Å; K110-S114 PolarHBondContact O-N 3.35Å; K110-S114 PolarHBondContact O-OG 2.91Å; K110-I139 HydrophobicContact CB-CG2 3.85Å; K110-S143 WeakPolarHBondContact O-CB 3.49Å; K110-L331 HydrophobicContact CB-CD2 4.43Å; K110-L331 HydrophobicContact CD-CD1 4.11Å; K110-L331 HydrophobicContact CD-CD2 3.53Å; K110-L331 HydrophobicContact CD-CG 4.33Å
111T97.7Very high96.3Very high81 Ų8141.4 Ų41.450%0.49722%0.215SC..Hα-helixtrans-61.6-44177.6-60.30000112.2A107 I108 S114 A115A107-T111 PolarHBondContact O-N 3.35Å; A107-T111 VanDerWaalsContact O-N 3.09Å; A107-T111 PolarHBondContact O-OG1 3.46Å; I108-T111 PolarHBondContact O-N 2.83Å; T111-S114 PolarHBondContact O-N 3.11Å; T111-A115 WeakPolarHBondContact O-CB 3.43Å; T111-A115 PolarHBondContact O-N 3.4Å
112Q98.6Very high96.9Very high16 Ų1644.5 Ų44.58%0.07523%0.227CC..Hα-helixtrans-64.8-40.5176.5-70.1178.911.100111.8F78 I108 K110 A115 L116F78-Q112 HydrophobicContact CE2-CB 4.41Å; F78-Q112 HydrophobicContact CE2-CG 4.18Å; F78-Q112 HydrophobicContact CZ-CB 3.97Å; F78-Q112 HydrophobicContact CZ-CG 3.94Å; I108-Q112 HydrophobicContact CG2-CG 4.42Å; I108-Q112 WeakPolarHBondContact O-CG 3.31Å; I108-Q112 PolarHBondContact O-N 2.88Å; K110-Q112 PolarHBondContact O-N 3.32Å; Q112-A115 PolarHBondContact O-N 2.89Å; Q112-L116 WeakPolarHBondContact O-CB 3.42Å; Q112-L116 WeakPolarHBondContact O-CG 3.43Å; Q112-L116 PolarHBondContact O-N 2.93Å
113G98.7Very high97.3Very high0 Ų047.6 Ų47.60%025%0.249CC..Hα-helixtrans-59.1-47.7172.900000112.3F109 K110 A115 L116 D117 A140 S143 A144F109-G113 PolarHBondContact O-N 2.83Å; K110-G113 PolarHBondContact O-N 2.87Å; G113-A115 VanDerWaalsContact C-N 3.3Å; G113-A115 PolarHBondContact O-N 3.04Å; G113-L116 WeakPolarHBondContact O-CB 3.42Å; G113-L116 PolarHBondContact O-N 3.48Å; G113-D117 PolarHBondContact O-N 3.39Å; G113-A140 WeakPolarHBondContact CA-O 3.4Å; G113-S143 CarbonylContact C-O 3.57Å; G113-A144 WeakPolarHBondContact O-CB 3.38Å
114S98.8Very high97.6Very high58 Ų5842.1 Ų42.141%0.40623%0.226SC..Hα-helixtrans-64.1-33.5175.5-60.50000113.2K110 T111 K118 S143K110-S114 PolarHBondContact O-N 3.35Å; K110-S114 PolarHBondContact O-OG 2.91Å; T111-S114 PolarHBondContact O-N 3.11Å; S114-K118 WeakPolarHBondContact O-CB 3.43Å; S114-K118 PolarHBondContact O-N 3.41Å; S114-S143 WeakPolarHBondContact CA-O 3.47Å; S114-S143 PolarHBondContact N-O 3.14Å
115A98.8Very high97.9Very high4 Ų442.1 Ų42.13%0.03322%0.22CC..Hα-helixtrans-69.5-41.9174.600000112V74 F78 T111 Q112 G113 K118 Y119V74-A115 HydrophobicContact CB-CB 4.2Å; F78-A115 HydrophobicContact CB-CB 4.23Å; F78-A115 HydrophobicContact CD2-CB 3.52Å; F78-A115 HydrophobicContact CE2-CB 4.09Å; F78-A115 HydrophobicContact CG-CB 3.95Å; T111-A115 WeakPolarHBondContact O-CB 3.43Å; T111-A115 PolarHBondContact O-N 3.4Å; Q112-A115 PolarHBondContact O-N 2.89Å; G113-A115 VanDerWaalsContact C-N 3.3Å; G113-A115 PolarHBondContact O-N 3.04Å; A115-K118 PolarHBondContact O-N 2.91Å; A115-Y119 HydrophobicContact CB-CD2 4.28Å; A115-Y119 WeakPolarHBondContact O-CB 3.49Å; A115-Y119 VanDerWaalsContact O-CD2 3.31Å; A115-Y119 WeakPolarHBondContact O-CD2 3.48Å; A115-Y119 PolarHBondContact O-N 2.89Å
116L98.9Very high98.2Very high0 Ų042.1 Ų42.10%022%0.22CC..Hα-helixtrans-56.7-50.7171-77.3162000110.5F78 I81 A84 L86 Q112 G113 K118 A120 V124 V126 I147 F152F78-L116 HydrophobicContact CD1-CD2 3.53Å; F78-L116 HydrophobicContact CD1-CG 3.63Å; F78-L116 HydrophobicContact CE1-CD1 4.31Å; F78-L116 HydrophobicContact CE1-CD2 3.79Å; F78-L116 HydrophobicContact CE1-CG 3.7Å; I81-L116 HydrophobicContact CD1-CD2 3.8Å; A84-L116 HydrophobicContact CB-CD2 4.02Å; L86-L116 HydrophobicContact CD1-CD1 4.24Å; Q112-L116 WeakPolarHBondContact O-CB 3.42Å; Q112-L116 WeakPolarHBondContact O-CG 3.43Å; Q112-L116 PolarHBondContact O-N 2.93Å; G113-L116 WeakPolarHBondContact O-CB 3.42Å; G113-L116 PolarHBondContact O-N 3.48Å; L116-K118 PolarHBondContact O-N 3.4Å; L116-A120 HydrophobicContact CD2-CB 3.96Å; L116-A120 VanDerWaalsContact O-CB 3.23Å; L116-A120 WeakPolarHBondContact O-CB 3.24Å; L116-A120 PolarHBondContact O-N 3.16Å; L116-V124 HydrophobicContact CD2-CG1 4.27Å; L116-V124 HydrophobicContact CD2-CG2 4.34Å; L116-V126 HydrophobicContact CD1-CG1 4.07Å; L116-V126 HydrophobicContact CD1-CG2 3.99Å; L116-V126 HydrophobicContact CD2-CG2 4.07Å; L116-I147 HydrophobicContact CB-CD1 3.85Å; L116-F152 HydrophobicContact CD1-CE1 4Å
117D98.9Very high98.4Very high40 Ų4042.1 Ų42.121%0.21422%0.22CC..Hα-helixtrans-55.9-40.7178.6-160.262.6000112.2G113 K122 A144 P145 S146G113-D117 PolarHBondContact O-N 3.39Å; D117-K122 PolarHBondContact O-NZ 2.88Å; D117-A144 HydrophobicContact CB-CB 3.97Å; D117-A144 VanDerWaalsContact OD1-CA 3.31Å; D117-A144 WeakPolarHBondContact OD1-CA 3.4Å; D117-P145 WeakPolarHBondContact OD1-CD 3.3Å; D117-S146 VanDerWaalsContact CG-OG 3.3Å; D117-S146 VanDerWaalsContact OD1-CB 3.28Å; D117-S146 WeakPolarHBondContact OD1-CB 3.5Å; D117-S146 PolarHBondContact OD1-N 3.07Å; D117-S146 PolarHBondContact OD1-OG 2.76Å
118K98.8Very high98.6Very high143 Ų14339.9 Ų39.962%0.62220%0.202SC*.Hα-helixtrans-81.7-39.6-174.7-171172.7174.7-166.80113.6S114 A115 L116S114-K118 WeakPolarHBondContact O-CB 3.43Å; S114-K118 PolarHBondContact O-N 3.41Å; A115-K118 PolarHBondContact O-N 2.91Å; L116-K118 PolarHBondContact O-N 3.4Å
119Y98.8Very high98.7Very high73 Ų7338.1 Ų38.129%0.28619%0.193SC..Hα-helixtrans-118.8-21.2-164.1-55.1-63.9000114.7E75 F78 K79 D80 A115E75-Y119 HydrophobicContact CB-CD2 4.32Å; E75-Y119 HydrophobicContact CB-CE1 4.12Å; E75-Y119 HydrophobicContact CB-CE2 3.77Å; F78-Y119 CarbonylContact O-C 3.59Å; K79-Y119 WeakPolarHBondContact CA-O 3.45Å; D80-Y119 PolarHBondContact N-O 3.45Å; A115-Y119 HydrophobicContact CB-CD2 4.28Å; A115-Y119 WeakPolarHBondContact O-CB 3.49Å; A115-Y119 VanDerWaalsContact O-CD2 3.31Å; A115-Y119 WeakPolarHBondContact O-CD2 3.48Å; A115-Y119 PolarHBondContact O-N 2.89Å
120A98.8Very high98.6Very high7 Ų738.2 Ų38.26%0.05820%0.195CC..SBendtrans-84.4160.1-177.500000112.1F78 I81 L116 V124F78-A120 VanDerWaalsContact O-CA 3.26Å; F78-A120 WeakPolarHBondContact O-CA 3.35Å; F78-A120 PolarHBondContact O-N 2.84Å; I81-A120 HydrophobicContact CD1-CB 4.11Å; I81-A120 HydrophobicContact CG1-CB 3.55Å; L116-A120 HydrophobicContact CD2-CB 3.96Å; L116-A120 VanDerWaalsContact O-CB 3.23Å; L116-A120 WeakPolarHBondContact O-CB 3.24Å; L116-A120 PolarHBondContact O-N 3.16Å; A120-V124 HydrophobicContact CB-CB 4.26Å; A120-V124 HydrophobicContact CB-CG1 4.06Å
121K98.8Very high98.3Very high79 Ų7937.8 Ų37.834%0.34320%0.196SC..  trans-61.9142.7166.7-63.9175.1-177.41710108.8D80 I81 D82 S123 V124D80-K121 WeakPolarHBondContact O-CE 3.23Å; I81-K121 WeakPolarHBondContact O-CB 3.37Å; D82-K121 VanDerWaalsContact OD1-CD 3.28Å; D82-K121 WeakPolarHBondContact OD1-CD 3.15Å; D82-K121 IonicContact OD1-NZ 3.94Å; D82-K121 PolarHBondContact OD1-NZ 2.62Å; D82-K121 IonicContact OD2-NZ 3.78Å; D82-K121 PolarHBondContact OD2-NZ 2.79Å; K121-S123 PolarHBondContact O-N 3.22Å; K121-S123 VanDerWaalsContact O-N 3.16Å; K121-V124 VanDerWaalsContact O-CB 3.23Å; K121-V124 WeakPolarHBondContact O-CB 3.26Å; K121-V124 WeakPolarHBondContact O-CG1 3.45Å; K121-V124 PolarHBondContact O-N 3.32Å
122K98.5Very high98.2Very high94 Ų9434.9 Ų34.941%0.40918%0.179SC..THydrogen-bonded Turntrans-66.3-19.4178.2-50.5-51.4176.1-176.90113.2D117 V124 S146 I147 P148 N151D117-K122 PolarHBondContact O-NZ 2.88Å; K122-V124 VanDerWaalsContact C-N 3.32Å; K122-S146 WeakPolarHBondContact CE-OG 3.39Å; K122-S146 PolarHBondContact NZ-OG 3.25Å; K122-I147 HydrophobicContact CD-CG1 4.22Å; K122-P148 WeakPolarHBondContact O-CD 3.39Å; K122-N151 PolarHBondContact O-ND2 3.15Å; K122-N151 VanDerWaalsContact O-ND2 3.1Å
123S98.6Very high98.2Very high76 Ų7634.1 Ų34.153%0.53118%0.176SC..THydrogen-bonded Turntrans-82.6-2.1173.754.60000114.5K121 K125K121-S123 PolarHBondContact O-N 3.22Å; K121-S123 VanDerWaalsContact O-N 3.16Å; S123-K125 PolarHBondContact O-N 2.93Å
124V98.9Very high98.2Very high0 Ų034.2 Ų34.20%018%0.176CC..  trans-52.1136.3-17764.10000111.1I81 D82 A84 L116 A120 K121 K122 V126 I147 N151I81-V124 HydrophobicContact CD1-CG2 3.92Å; I81-V124 HydrophobicContact CG1-CG2 3.85Å; D82-V124 WeakPolarHBondContact O-CA 3.23Å; A84-V124 HydrophobicContact CB-CG2 4.32Å; L116-V124 HydrophobicContact CD2-CG1 4.27Å; L116-V124 HydrophobicContact CD2-CG2 4.34Å; A120-V124 HydrophobicContact CB-CB 4.26Å; A120-V124 HydrophobicContact CB-CG1 4.06Å; K121-V124 VanDerWaalsContact O-CB 3.23Å; K121-V124 WeakPolarHBondContact O-CB 3.26Å; K121-V124 WeakPolarHBondContact O-CG1 3.45Å; K121-V124 PolarHBondContact O-N 3.32Å; K122-V124 VanDerWaalsContact C-N 3.32Å; V124-V126 HydrophobicContact CG1-CG2 3.98Å; V124-V126 HydrophobicContact CG2-CG2 4.23Å; V124-I147 HydrophobicContact CG1-CD1 3.75Å; V124-I147 HydrophobicContact CG1-CG2 4.2Å; V124-N151 VanDerWaalsContact O-CB 3.24Å; V124-N151 WeakPolarHBondContact O-CB 3.3Å; V124-N151 PolarHBondContact O-ND2 3.49Å
125K98.9Very high98.2Very high30 Ų3031.6 Ų31.613%0.1316%0.157CC..EExtended strand (participates in β ladder)trans-96.8119.3171.4-61.3-61.5178.4174.20109.9D82 A83 A84 S123 N151 I257 K295D82-K125 PolarHBondContact O-N 3.36Å; A83-K125 CarbonylContact C-O 3.47Å; A83-K125 VanDerWaalsContact CA-O 3.31Å; A83-K125 WeakPolarHBondContact CA-O 3.24Å; A84-K125 PolarHBondContact N-O 3.17Å; S123-K125 PolarHBondContact O-N 2.93Å; K125-N151 HydrophobicContact CD-CB 4.46Å; K125-N151 PolarHBondContact NZ-OD1 3.11Å; K125-I257 HydrophobicContact CB-CG2 4.46Å; K125-I257 HydrophobicContact CD-CG2 4.3Å; K125-I257 HydrophobicContact CG-CG2 4.09Å; K125-K295 WeakPolarHBondContact CE-O 3.42Å; K125-K295 PolarHBondContact NZ-O 3.21Å
126V98.9Very high98.1Very high0 Ų031.4 Ų31.40%016%0.156CC..EExtended strand (participates in β ladder)trans-107.9125.2-173.6-173.80000109.9A84 L86 L116 V124 V128 N151 F152 S153A84-V126 HydrophobicContact CB-CG1 4.32Å; A84-V126 HydrophobicContact CB-CG2 4.27Å; A84-V126 WeakPolarHBondContact O-CA 3.34Å; L86-V126 HydrophobicContact CD1-CG1 3.75Å; L86-V126 HydrophobicContact CG-CG1 4.12Å; L116-V126 HydrophobicContact CD1-CG1 4.07Å; L116-V126 HydrophobicContact CD1-CG2 3.99Å; L116-V126 HydrophobicContact CD2-CG2 4.07Å; V124-V126 HydrophobicContact CG1-CG2 3.98Å; V124-V126 HydrophobicContact CG2-CG2 4.23Å; V126-V128 HydrophobicContact CG1-CG2 4.38Å; V126-N151 PolarHBondContact N-O 2.96Å; V126-F152 HydrophobicContact CB-CD1 3.76Å; V126-F152 HydrophobicContact CB-CE1 4.02Å; V126-F152 HydrophobicContact CB-CG 4.34Å; V126-F152 HydrophobicContact CG1-CD1 3.79Å; V126-F152 HydrophobicContact CG1-CE1 3.98Å; V126-F152 HydrophobicContact CG2-CD1 4.08Å; V126-F152 HydrophobicContact CG2-CE1 3.84Å; V126-F152 HydrophobicContact CG2-CZ 4.24Å; V126-S153 PolarHBondContact O-N 3.41Å; V126-S153 PolarHBondContact O-OG 2.9Å; V126-S153 VanDerWaalsContact O-OG 3.11Å
127L98.9Very high98.1Very high0 Ų031.4 Ų31.40%016%0.156CC..EExtended strand (participates in β ladder)trans-117.3114.1173.317354.8000109.9A84 L86 V129 S153 L155 I250 H253 M254A84-L127 PolarHBondContact O-N 2.83Å; L86-L127 PolarHBondContact N-O 2.95Å; L127-V129 HydrophobicContact CD2-CG2 4.44Å; L127-V129 HydrophobicContact CG-CG2 4.04Å; L127-S153 CarbonylContact C-O 3.57Å; L127-S153 WeakPolarHBondContact CA-O 3.44Å; L127-L155 HydrophobicContact CD1-CB 4.01Å; L127-L155 HydrophobicContact CD1-CD1 4.28Å; L127-L155 HydrophobicContact CD2-CD1 4.33Å; L127-I250 HydrophobicContact CD2-CB 4.45Å; L127-I250 HydrophobicContact CD2-CG1 4.49Å; L127-I250 HydrophobicContact CD2-CG2 3.9Å; L127-H253 WeakPolarHBondContact CD1-NE2 3.26Å; L127-H253 HydrophobicContact CD2-CB 4.21Å; L127-M254 HydrophobicContact CB-SD 3.68Å; L127-M254 HydrophobicContact CD2-CG 3.69Å; L127-M254 HydrophobicContact CD2-SD 3.74Å; L127-M254 HydrophobicContact CG-SD 4.36Å
128V98.9Very high98.1Very high0 Ų029.7 Ų29.70%015%0.147CC..EExtended strand (participates in β ladder)trans-90.4124.2174179.80000110.8L86 F109 V126 A133 N136 C137 S153 C154 L155L86-V128 HydrophobicContact CD1-CG2 4.1Å; F109-V128 HydrophobicContact CD1-CG1 4.17Å; F109-V128 HydrophobicContact CD1-CG2 4.43Å; F109-V128 HydrophobicContact CE1-CB 4.37Å; F109-V128 HydrophobicContact CE1-CG1 3.5Å; F109-V128 HydrophobicContact CE1-CG2 4.16Å; F109-V128 HydrophobicContact CZ-CG1 3.94Å; V126-V128 HydrophobicContact CG1-CG2 4.38Å; V128-A133 HydrophobicContact CG1-CB 4.47Å; V128-A133 WeakPolarHBondContact CG1-O 3.5Å; V128-N136 HydrophobicContact CG1-CB 3.91Å; V128-C137 HydrophobicContact CB-CB 3.83Å; V128-C137 HydrophobicContact CG1-CB 4.23Å; V128-C137 HydrophobicContact CG2-CB 3.71Å; V128-S153 PolarHBondContact N-O 2.99Å; V128-C154 HydrophobicContact CB-CB 4.13Å; V128-C154 VanDerWaalsContact O-CA 3.26Å; V128-C154 WeakPolarHBondContact O-CA 3.47Å; V128-L155 PolarHBondContact O-N 2.97Å
129V98.5Very high98.1Very high16 Ų1623 Ų2310%0.09712%0.118CC..  trans-117.2-34.9177.8-175.40000110.9I85 L86 V87 L127 N131 L155 I250I85-V129 HydrophobicContact CG2-CG2 4.32Å; L86-V129 PolarHBondContact O-N 2.79Å; V87-V129 HydrophobicContact CG1-CG1 4.43Å; V87-V129 HydrophobicContact CG2-CB 4.34Å; V87-V129 HydrophobicContact CG2-CG2 4.38Å; L127-V129 HydrophobicContact CD2-CG2 4.44Å; L127-V129 HydrophobicContact CG-CG2 4.04Å; V129-N131 PolarHBondContact O-N 2.8Å; V129-L155 HydrophobicContact CG1-CD2 4Å; V129-L155 HydrophobicContact CG2-CB 4.25Å; V129-L155 HydrophobicContact CG2-CD2 4.25Å; V129-I250 HydrophobicContact CG1-CD1 4.1Å; V129-I250 HydrophobicContact CG2-CD1 3.83Å; V129-I250 HydrophobicContact CG2-CG1 3.87Å
130G96.1Very high98.1Very high3 Ų319.5 Ų19.53%0.03110%0.104CC..SBendtrans-59.7132.3179.800000112.5L86 S89 A133 N136L86-G130 PolarHBondContact O-N 2.8Å; S89-G130 WeakPolarHBondContact OG-CA 3.34Å; G130-A133 WeakPolarHBondContact O-CA 3.38Å; G130-N136 PolarHBondContact O-ND2 2.88Å
131N93.8Very high98.1Very high73 Ų7319.3 Ų19.339%0.3910%0.102SC..SBendtrans-82.5150.1-171.5-82.8-41.7000113.7N105 V129 A133 N136 H187N105-N131 PolarHBondContact ND2-O 3.26Å; V129-N131 PolarHBondContact O-N 2.8Å; N131-A133 PolarHBondContact OD1-N 2.99Å; N131-N136 PolarHBondContact O-ND2 3.06Å; N131-H187 PolarHBondContact OD1-CD2 3.37Å; N131-H187 VanDerWaalsContact OD1-CD2 3.27Å
132P95.4Very high98.1Very high21 Ų2119.2 Ų19.214%0.13610%0.102CC..SBendcis-74.2116.2-7.327.8-29.4000111.8L102 N134 T135 N136L102-P132 HydrophobicContact CD1-CG 3.46Å; L102-P132 VanDerWaalsContact CD1-CG 3.46Å; P132-N134 PolarHBondContact O-N 2.9Å; P132-T135 PolarHBondContact O-N 2.86Å; P132-N136 VanDerWaalsContact O-CB 3.24Å; P132-N136 WeakPolarHBondContact O-CB 3.34Å; P132-N136 VanDerWaalsContact O-CG 3.23Å; P132-N136 PolarHBondContact O-N 2.89Å; P132-N136 PolarHBondContact O-ND2 3.47Å
133A97.4Very high98.1Very high0 Ų015.9 Ų15.90%09%0.091CC..Hα-helixtrans-64.1-42.4-160.700000113.9V128 G130 N131 C137 C154 H187V128-A133 HydrophobicContact CG1-CB 4.47Å; V128-A133 WeakPolarHBondContact CG1-O 3.5Å; G130-A133 WeakPolarHBondContact O-CA 3.38Å; N131-A133 PolarHBondContact OD1-N 2.99Å; A133-C137 WeakPolarHBondContact O-CB 3.41Å; A133-C137 PolarHBondContact O-N 2.93Å; A133-C154 HydrophobicContact CB-CB 4.03Å; A133-C154 WeakPolarHBondContact O-CB 3.06Å; A133-H187 HydrophobicContact CB-CB 4.45Å
134N98.6Very high98.1Very high1 Ų112.3 Ų12.31%0.0057%0.065CC..Hα-helixtrans-61.9-53.1178.5-67.562.2000111.7P132 C137 L138 C154 G185 N186 H187 I285 L320P132-N134 PolarHBondContact O-N 2.9Å; N134-C137 WeakPolarHBondContact O-CB 3.45Å; N134-C137 PolarHBondContact O-N 2.86Å; N134-L138 PolarHBondContact O-N 3.26Å; N134-C154 PolarHBondContact OD1-SG 3.13Å; N134-C154 VanDerWaalsContact OD1-SG 3.38Å; N134-G185 PolarHBondContact ND2-O 2.91Å; N134-G185 VanDerWaalsContact ND2-O 3.12Å; N134-N186 PolarHBondContact OD1-OD1 3.04Å; N134-H187 PolarHBondContact OD1-N 3.31Å; N134-I285 HydrophobicContact CB-CB 4.44Å; N134-I285 HydrophobicContact CB-CG2 4.34Å; N134-I285 WeakPolarHBondContact CB-O 3.36Å; N134-I285 PolarHBondContact ND2-O 3.29Å; N134-I285 WeakPolarHBondContact O-CB 3.45Å; N134-L320 HydrophobicContact CB-CD2 3.5Å; N134-L320 VanDerWaalsContact CB-CD2 3.5Å
135T98.3Very high98.1Very high3 Ų317.4 Ų17.42%0.01810%0.099CC..Hα-helixtrans-67-42.2-177.6-55.70000111.2L102 V106 P132 C137 L138 I139 E323 A327L102-T135 HydrophobicContact CD1-CG2 3.95Å; V106-T135 HydrophobicContact CG2-CG2 4.4Å; P132-T135 PolarHBondContact O-N 2.86Å; T135-C137 VanDerWaalsContact C-N 3.3Å; T135-C137 PolarHBondContact O-N 3.29Å; T135-L138 WeakPolarHBondContact O-CB 3.5Å; T135-L138 PolarHBondContact O-N 3.25Å; T135-I139 WeakPolarHBondContact O-CG1 3.4Å; T135-I139 PolarHBondContact O-N 2.9Å; T135-E323 HydrophobicContact CG2-CB 4.34Å; T135-E323 WeakPolarHBondContact OG1-CB 3.49Å; T135-E323 PolarHBondContact OG1-OE2 3.13Å; T135-A327 HydrophobicContact CG2-CB 3.68Å
136N98.5Very high98.1Very high0 Ų018.6 Ų18.60%011%0.11CC..Hα-helixtrans-58.5-41.2172.4-76.5-16000112.2F109 V128 G130 N131 P132 I139 A140F109-N136 HydrophobicContact CB-CB 4.11Å; F109-N136 HydrophobicContact CD1-CB 3.84Å; F109-N136 HydrophobicContact CD2-CB 3.52Å; F109-N136 WeakPolarHBondContact CD2-ND2 3.28Å; F109-N136 HydrophobicContact CE1-CB 4.11Å; F109-N136 HydrophobicContact CE2-CB 3.84Å; F109-N136 WeakPolarHBondContact CE2-ND2 3.31Å; F109-N136 HydrophobicContact CG-CB 3.53Å; F109-N136 HydrophobicContact CZ-CB 4.12Å; V128-N136 HydrophobicContact CG1-CB 3.91Å; G130-N136 PolarHBondContact O-ND2 2.88Å; N131-N136 PolarHBondContact O-ND2 3.06Å; P132-N136 VanDerWaalsContact O-CB 3.24Å; P132-N136 WeakPolarHBondContact O-CB 3.34Å; P132-N136 VanDerWaalsContact O-CG 3.23Å; P132-N136 PolarHBondContact O-N 2.89Å; P132-N136 PolarHBondContact O-ND2 3.47Å; N136-I139 PolarHBondContact O-N 3.37Å; N136-A140 WeakPolarHBondContact O-CB 3.19Å; N136-A140 PolarHBondContact O-N 2.93Å
137C98.8Very high98.1Very high0 Ų018.9 Ų18.90%011%0.112CC..Hα-helixtrans-63.3-42.3175.9-171.60000112.3V128 A133 N134 T135 I139 A140 S141 S153 C154 I285V128-C137 HydrophobicContact CB-CB 3.83Å; V128-C137 HydrophobicContact CG1-CB 4.23Å; V128-C137 HydrophobicContact CG2-CB 3.71Å; A133-C137 WeakPolarHBondContact O-CB 3.41Å; A133-C137 PolarHBondContact O-N 2.93Å; N134-C137 WeakPolarHBondContact O-CB 3.45Å; N134-C137 PolarHBondContact O-N 2.86Å; T135-C137 VanDerWaalsContact C-N 3.3Å; T135-C137 PolarHBondContact O-N 3.29Å; C137-I139 VanDerWaalsContact C-N 3.33Å; C137-I139 PolarHBondContact O-N 3.38Å; C137-A140 PolarHBondContact O-N 3.38Å; C137-S141 PolarHBondContact O-N 3.46Å; C137-S141 PolarHBondContact O-OG 3.28Å; C137-S153 VanDerWaalsContact SG-C 3.51Å; C137-C154 HydrophobicContact CB-CB 3.86Å; C137-I285 HydrophobicContact CB-CB 4.49Å; C137-I285 HydrophobicContact CB-CG1 4.05Å; C137-I285 HydrophobicContact CB-CG2 4.18Å
138L98.8Very high98.1Very high4 Ų421.6 Ų21.62%0.02113%0.13CC..Hα-helixtrans-62.3-42.9177.3-176.862.3000111.4N134 T135 S141 K142 Y272 I285 R324N134-L138 PolarHBondContact O-N 3.26Å; T135-L138 WeakPolarHBondContact O-CB 3.5Å; T135-L138 PolarHBondContact O-N 3.25Å; L138-S141 PolarHBondContact O-N 3.27Å; L138-S141 PolarHBondContact O-OG 3.41Å; L138-K142 HydrophobicContact CD1-CD 4.48Å; L138-K142 HydrophobicContact CG-CD 4.28Å; L138-K142 WeakPolarHBondContact O-CB 3.36Å; L138-K142 VanDerWaalsContact O-CG 3.31Å; L138-K142 WeakPolarHBondContact O-CG 3.42Å; L138-K142 PolarHBondContact O-N 3.49Å; L138-Y272 HydrophobicContact CD1-CD2 4.29Å; L138-Y272 HydrophobicContact CD1-CE2 4Å; L138-I285 HydrophobicContact CB-CG1 3.77Å; L138-I285 HydrophobicContact CD1-CG1 4.22Å; L138-R324 HydrophobicContact CD2-CB 4.12Å; L138-R324 HydrophobicContact CD2-CG 3.62Å
139I98.6Very high98Very high2 Ų225.3 Ų25.31%0.0115%0.146CC..Hα-helixtrans-68-42.9178.8-64.2-54.3000111.2V106 K110 T135 N136 C137 S141 K142 S143 A327 L328 L331V106-I139 HydrophobicContact CG1-CD1 4.45Å; V106-I139 HydrophobicContact CG1-CG1 3.95Å; V106-I139 HydrophobicContact CG1-CG2 4.14Å; V106-I139 HydrophobicContact CG2-CG1 4.27Å; K110-I139 HydrophobicContact CB-CG2 3.85Å; T135-I139 WeakPolarHBondContact O-CG1 3.4Å; T135-I139 PolarHBondContact O-N 2.9Å; N136-I139 PolarHBondContact O-N 3.37Å; C137-I139 VanDerWaalsContact C-N 3.33Å; C137-I139 PolarHBondContact O-N 3.38Å; I139-S141 VanDerWaalsContact C-N 3.34Å; I139-S141 PolarHBondContact O-N 3.42Å; I139-K142 PolarHBondContact O-N 2.98Å; I139-S143 WeakPolarHBondContact O-CB 3.31Å; I139-S143 PolarHBondContact O-N 3.25Å; I139-S143 PolarHBondContact O-OG 3.29Å; I139-A327 HydrophobicContact CD1-CB 4.29Å; I139-A327 HydrophobicContact CG1-CB 4.43Å; I139-L328 HydrophobicContact CD1-CD2 3.95Å; I139-L331 HydrophobicContact CD1-CD1 3.75Å; I139-L331 HydrophobicContact CG1-CD1 4.3Å; I139-L331 HydrophobicContact CG2-CD1 3.73Å
140A98.8Very high98Very high0 Ų029.4 Ų29.40%016%0.164CC..Hα-helixtrans-59.3-45.7175.100000111.2F109 G113 N136 C137 S143 A144 F152F109-A140 HydrophobicContact CB-CB 4.46Å; F109-A140 HydrophobicContact CD1-CB 4.39Å; F109-A140 WeakPolarHBondContact O-CA 3.46Å; G113-A140 WeakPolarHBondContact CA-O 3.4Å; N136-A140 WeakPolarHBondContact O-CB 3.19Å; N136-A140 PolarHBondContact O-N 2.93Å; C137-A140 PolarHBondContact O-N 3.38Å; A140-S143 PolarHBondContact O-N 3.04Å; A140-A144 PolarHBondContact O-N 3.09Å; A140-F152 HydrophobicContact CB-CD1 4.39Å; A140-F152 HydrophobicContact CB-CE1 4.23Å
141S98.7Very high98.1Very high4 Ų430 Ų303%0.02817%0.166CC..Hα-helixtrans-66.3-39.5178.268.70000112.8C137 L138 I139 S143 A144C137-S141 PolarHBondContact O-N 3.46Å; C137-S141 PolarHBondContact O-OG 3.28Å; L138-S141 PolarHBondContact O-N 3.27Å; L138-S141 PolarHBondContact O-OG 3.41Å; I139-S141 VanDerWaalsContact C-N 3.34Å; I139-S141 PolarHBondContact O-N 3.42Å; S141-S143 PolarHBondContact O-N 3.46Å; S141-A144 CarbonylContact O-C 3.59Å; S141-A144 PolarHBondContact O-N 3.03Å
142K98.4Very high98.4Very high77 Ų7726.5 Ų26.534%0.33515%0.148SC..Hα-helixtrans-66.2-28.5176-76.6178.4-174.5-760112.4L138 I139 A144 D283 L328L138-K142 HydrophobicContact CD1-CD 4.48Å; L138-K142 HydrophobicContact CG-CD 4.28Å; L138-K142 WeakPolarHBondContact O-CB 3.36Å; L138-K142 VanDerWaalsContact O-CG 3.31Å; L138-K142 WeakPolarHBondContact O-CG 3.42Å; L138-K142 PolarHBondContact O-N 3.49Å; I139-K142 PolarHBondContact O-N 2.98Å; K142-A144 VanDerWaalsContact C-N 3.27Å; K142-D283 WeakPolarHBondContact CE-OD1 3.5Å; K142-D283 IonicContact NZ-OD1 3.61Å; K142-D283 PolarHBondContact NZ-OD1 3.46Å; K142-D283 IonicContact NZ-OD2 2.88Å; K142-D283 PolarHBondContact NZ-OD2 3.47Å; K142-L328 HydrophobicContact CD-CD2 4.16Å
143S98.6Very high98.5Very high24 Ų2425.6 Ų25.617%0.16814%0.142CC..THydrogen-bonded Turntrans-86.1-0.2178.3-51.20000113K110 G113 S114 I139 A140 S141 P145K110-S143 WeakPolarHBondContact O-CB 3.49Å; G113-S143 CarbonylContact C-O 3.57Å; S114-S143 WeakPolarHBondContact CA-O 3.47Å; S114-S143 PolarHBondContact N-O 3.14Å; I139-S143 WeakPolarHBondContact O-CB 3.31Å; I139-S143 PolarHBondContact O-N 3.25Å; I139-S143 PolarHBondContact O-OG 3.29Å; A140-S143 PolarHBondContact O-N 3.04Å; S141-S143 PolarHBondContact O-N 3.46Å; S143-P145 VanDerWaalsContact C-CD 3.49Å
144A98.7Very high98.6Very high0 Ų025.6 Ų25.60%014%0.142CC..  trans-128.261.1179.900000113.1G113 D117 A140 S141 K142 S146 I147 F152G113-A144 WeakPolarHBondContact O-CB 3.38Å; D117-A144 HydrophobicContact CB-CB 3.97Å; D117-A144 VanDerWaalsContact OD1-CA 3.31Å; D117-A144 WeakPolarHBondContact OD1-CA 3.4Å; A140-A144 PolarHBondContact O-N 3.09Å; S141-A144 CarbonylContact O-C 3.59Å; S141-A144 PolarHBondContact O-N 3.03Å; K142-A144 VanDerWaalsContact C-N 3.27Å; A144-S146 PolarHBondContact O-N 3.37Å; A144-S146 VanDerWaalsContact O-N 3.12Å; A144-I147 HydrophobicContact CB-CB 4.36Å; A144-I147 HydrophobicContact CB-CD1 4.15Å; A144-I147 HydrophobicContact CB-CG1 4.41Å; A144-I147 PolarHBondContact O-N 3.23Å; A144-F152 HydrophobicContact CB-CE1 4.49Å; A144-F152 HydrophobicContact CB-CE2 4.24Å; A144-F152 HydrophobicContact CB-CZ 3.6Å
145P98.4Very high98.6Very high108 Ų10825.9 Ų25.970%0.70114%0.144SC*.THydrogen-bonded Turntrans-63.5-20.4-172.328.2-37.2000114.2D117 S143 I147D117-P145 WeakPolarHBondContact OD1-CD 3.3Å; S143-P145 VanDerWaalsContact C-CD 3.49Å; P145-I147 VanDerWaalsContact C-N 3.32Å
146S98.7Very high98.6Very high54 Ų5425.8 Ų25.838%0.37814%0.143SC..THydrogen-bonded Turntrans-83.6-7.6177.5720000113.8D117 K122 A144D117-S146 VanDerWaalsContact CG-OG 3.3Å; D117-S146 VanDerWaalsContact OD1-CB 3.28Å; D117-S146 WeakPolarHBondContact OD1-CB 3.5Å; D117-S146 PolarHBondContact OD1-N 3.07Å; D117-S146 PolarHBondContact OD1-OG 2.76Å; K122-S146 WeakPolarHBondContact CE-OG 3.39Å; K122-S146 PolarHBondContact NZ-OG 3.25Å; A144-S146 PolarHBondContact O-N 3.37Å; A144-S146 VanDerWaalsContact O-N 3.12Å
147I98.9Very high98.7Very high6 Ų626.9 Ų26.93%0.03115%0.147CC..SBendtrans-102.8130.4177.1-59.4177.4000108.3L116 K122 V124 A144 P145 K149 N151 F152L116-I147 HydrophobicContact CB-CD1 3.85Å; K122-I147 HydrophobicContact CD-CG1 4.22Å; V124-I147 HydrophobicContact CG1-CD1 3.75Å; V124-I147 HydrophobicContact CG1-CG2 4.2Å; A144-I147 HydrophobicContact CB-CB 4.36Å; A144-I147 HydrophobicContact CB-CD1 4.15Å; A144-I147 HydrophobicContact CB-CG1 4.41Å; A144-I147 PolarHBondContact O-N 3.23Å; P145-I147 VanDerWaalsContact C-N 3.32Å; I147-K149 PolarHBondContact O-N 3.37Å; I147-N151 HydrophobicContact CG2-CB 3.97Å; I147-F152 HydrophobicContact CB-CE2 3.76Å; I147-F152 HydrophobicContact CB-CZ 4.15Å; I147-F152 HydrophobicContact CD1-CZ 4.31Å; I147-F152 HydrophobicContact CG2-CD2 4.31Å; I147-F152 HydrophobicContact CG2-CE2 3.44Å; I147-F152 VanDerWaalsContact CG2-CE2 3.44Å; I147-F152 HydrophobicContact CG2-CZ 3.98Å
148P98.6Very high98.7Very high58 Ų5827.5 Ų27.538%0.37715%0.15SC..  trans-53.7136.8177.1-25.734.2000112K122 E150 N151K122-P148 WeakPolarHBondContact O-CD 3.39Å; P148-E150 VanDerWaalsContact CB-OE2 3.25Å; P148-E150 WeakPolarHBondContact CB-OE2 3.27Å; P148-E150 PolarHBondContact O-N 3.49Å; P148-E150 VanDerWaalsContact O-N 3.17Å; P148-N151 WeakPolarHBondContact O-CB 3.49Å; P148-N151 PolarHBondContact O-N 3.25Å
149K98.1Very high98.7Very high78 Ų7827.3 Ų27.334%0.33915%0.149SC..G310 helixtrans-60.9-28.9-179.5-68.9-174.7179.8175.20111.8I147 N151 F152 Y272I147-K149 PolarHBondContact O-N 3.37Å; K149-N151 PolarHBondContact O-N 3.33Å; K149-F152 PolarHBondContact O-N 3.45Å; K149-F152 VanDerWaalsContact O-N 3.08Å; K149-Y272 HydrophobicContact CB-CD1 4.16Å; K149-Y272 HydrophobicContact CB-CG 4.16Å; K149-Y272 HydrophobicContact CD-CD1 3.61Å; K149-Y272 HydrophobicContact CD-CD2 4.1Å; K149-Y272 HydrophobicContact CD-CE1 3.4Å; K149-Y272 VanDerWaalsContact CD-CE1 3.4Å; K149-Y272 HydrophobicContact CD-CE2 3.92Å; K149-Y272 HydrophobicContact CD-CG 3.97Å; K149-Y272 PolarHBondContact NZ-OH 3.27Å
150E97.9Very high98.7Very high101 Ų10127.8 Ų27.847%0.47215%0.151SC..G310 helixtrans-64.7-17.1177.5-56.772.8-158.800112.8P148 F152 W297P148-E150 VanDerWaalsContact CB-OE2 3.25Å; P148-E150 WeakPolarHBondContact CB-OE2 3.27Å; P148-E150 PolarHBondContact O-N 3.49Å; P148-E150 VanDerWaalsContact O-N 3.17Å; E150-F152 VanDerWaalsContact C-N 3.34Å; E150-W297 HydrophobicContact CB-CZ2 4.12Å; E150-W297 HydrophobicContact CG-CZ2 4.18Å; E150-W297 PolarHBondContact O-NE1 2.93Å
151N98.8Very high98.7Very high16 Ų1629.7 Ų29.79%0.08616%0.161CC..G310 helixtrans-84.4-9.9176-74.3-3.7000113.5K122 V124 K125 V126 I147 P148 K149K122-N151 PolarHBondContact O-ND2 3.15Å; K122-N151 VanDerWaalsContact O-ND2 3.1Å; V124-N151 VanDerWaalsContact O-CB 3.24Å; V124-N151 WeakPolarHBondContact O-CB 3.3Å; V124-N151 PolarHBondContact O-ND2 3.49Å; K125-N151 HydrophobicContact CD-CB 4.46Å; K125-N151 PolarHBondContact NZ-OD1 3.11Å; V126-N151 PolarHBondContact N-O 2.96Å; I147-N151 HydrophobicContact CG2-CB 3.97Å; P148-N151 WeakPolarHBondContact O-CB 3.49Å; P148-N151 PolarHBondContact O-N 3.25Å; K149-N151 PolarHBondContact O-N 3.33Å
152F98.9Very high98.7Very high0 Ų030.8 Ų30.80%017%0.165CC..EExtended strand (participates in β ladder)trans-98.6130.2177.3-67.9-94.7000110.7L116 V126 A140 A144 I147 K149 E150L116-F152 HydrophobicContact CD1-CE1 4Å; V126-F152 HydrophobicContact CB-CD1 3.76Å; V126-F152 HydrophobicContact CB-CE1 4.02Å; V126-F152 HydrophobicContact CB-CG 4.34Å; V126-F152 HydrophobicContact CG1-CD1 3.79Å; V126-F152 HydrophobicContact CG1-CE1 3.98Å; V126-F152 HydrophobicContact CG2-CD1 4.08Å; V126-F152 HydrophobicContact CG2-CE1 3.84Å; V126-F152 HydrophobicContact CG2-CZ 4.24Å; A140-F152 HydrophobicContact CB-CD1 4.39Å; A140-F152 HydrophobicContact CB-CE1 4.23Å; A144-F152 HydrophobicContact CB-CE1 4.49Å; A144-F152 HydrophobicContact CB-CE2 4.24Å; A144-F152 HydrophobicContact CB-CZ 3.6Å; I147-F152 HydrophobicContact CB-CE2 3.76Å; I147-F152 HydrophobicContact CB-CZ 4.15Å; I147-F152 HydrophobicContact CD1-CZ 4.31Å; I147-F152 HydrophobicContact CG2-CD2 4.31Å; I147-F152 HydrophobicContact CG2-CE2 3.44Å; I147-F152 VanDerWaalsContact CG2-CE2 3.44Å; I147-F152 HydrophobicContact CG2-CZ 3.98Å; K149-F152 PolarHBondContact O-N 3.45Å; K149-F152 VanDerWaalsContact O-N 3.08Å; E150-F152 VanDerWaalsContact C-N 3.34Å
153S98.9Very high98.7Very high2 Ų227.1 Ų27.11%0.01415%0.149CC..EExtended strand (participates in β ladder)trans-143.1157.1174.865.20000111.9V126 L127 V128 C137 H253 M269 G270V126-S153 PolarHBondContact O-N 3.41Å; V126-S153 PolarHBondContact O-OG 2.9Å; V126-S153 VanDerWaalsContact O-OG 3.11Å; L127-S153 CarbonylContact C-O 3.57Å; L127-S153 WeakPolarHBondContact CA-O 3.44Å; V128-S153 PolarHBondContact N-O 2.99Å; C137-S153 VanDerWaalsContact SG-C 3.51Å; S153-H253 PolarHBondContact OG-NE2 2.93Å; S153-M269 WeakPolarHBondContact OG-CE 3.26Å; S153-G270 CarbonylContact C-O 3.49Å; S153-G270 WeakPolarHBondContact CA-O 3.46Å; S153-G270 WeakPolarHBondContact CB-O 3.25Å
154C98.8Very high98.7Very high0 Ų026.4 Ų26.40%014%0.144CC..EExtended strand (participates in β ladder)trans-121.8156.8171.877.60000112.4V128 A133 N134 C137 T156 G270 I285V128-C154 HydrophobicContact CB-CB 4.13Å; V128-C154 VanDerWaalsContact O-CA 3.26Å; V128-C154 WeakPolarHBondContact O-CA 3.47Å; A133-C154 HydrophobicContact CB-CB 4.03Å; A133-C154 WeakPolarHBondContact O-CB 3.06Å; N134-C154 PolarHBondContact OD1-SG 3.13Å; N134-C154 VanDerWaalsContact OD1-SG 3.38Å; C137-C154 HydrophobicContact CB-CB 3.86Å; C154-T156 PolarHBondContact O-N 3.23Å; C154-G270 PolarHBondContact N-O 2.93Å; C154-G270 PolarHBondContact O-N 3.49Å; C154-I285 HydrophobicContact CB-CG2 4.41Å
155L98.9Very high98.7Very high7 Ų728.6 Ų28.64%0.03716%0.159CC..  trans-83.3102.2-169.1-17076.8000112.7L127 V128 V129 R157 A249 I250 H253L127-L155 HydrophobicContact CD1-CB 4.01Å; L127-L155 HydrophobicContact CD1-CD1 4.28Å; L127-L155 HydrophobicContact CD2-CD1 4.33Å; V128-L155 PolarHBondContact O-N 2.97Å; V129-L155 HydrophobicContact CG1-CD2 4Å; V129-L155 HydrophobicContact CG2-CB 4.25Å; V129-L155 HydrophobicContact CG2-CD2 4.25Å; L155-R157 HydrophobicContact CD1-CB 3.87Å; L155-A249 HydrophobicContact CD2-CB 4.48Å; L155-I250 HydrophobicContact CD1-CG1 4.23Å; L155-I250 HydrophobicContact CD2-CG1 3.69Å; L155-H253 HydrophobicContact CD1-CB 3.8Å
156T98.9Very high98.7Very high0 Ų024.7 Ų24.70%013%0.132CC..  trans-106.9-0.9161.852.30000112.9C154 L158 D159 H160 I183 H187 S287C154-T156 PolarHBondContact O-N 3.23Å; T156-L158 PolarHBondContact O-N 3.19Å; T156-D159 PolarHBondContact O-N 2.9Å; T156-D159 VanDerWaalsContact O-N 3.07Å; T156-H160 PolarHBondContact O-N 2.77Å; T156-I183 HydrophobicContact CG2-CG2 4.4Å; T156-H187 HydrophobicContact CG2-CB 4.18Å; T156-S287 WeakPolarHBondContact CB-OG 3.07Å; T156-S287 PolarHBondContact OG1-OG 3.28Å
157R98.9Very high98.7Very high24 Ų2422.1 Ų22.19%0.09111%0.114CC..Hα-helixtrans-60.4-29.4179-174.453.8168.9-79.711.1113.6L155 D159 H160 N161 A249 D252 H253 D256L155-R157 HydrophobicContact CD1-CB 3.87Å; R157-D159 VanDerWaalsContact C-N 3.34Å; R157-H160 PolarHBondContact O-N 3.28Å; R157-N161 PolarHBondContact NE-OD1 3.23Å; R157-N161 WeakPolarHBondContact O-CB 3.43Å; R157-N161 PolarHBondContact O-N 3.1Å; R157-A249 HydrophobicContact CB-CB 4.33Å; R157-A249 HydrophobicContact CG-CB 4.26Å; R157-A249 WeakPolarHBondContact CG-O 3.35Å; R157-D252 HydrophobicContact CG-CB 4.1Å; R157-D252 VanDerWaalsContact CZ-CB 3.41Å; R157-D252 PolarHBondContact NH1-O 3.47Å; R157-H253 HydrophobicContact CB-CB 4.19Å; R157-H253 HydrophobicContact CG-CB 4.44Å; R157-D256 IonicContact CZ-OD2 3.72Å; R157-D256 IonicContact NH1-OD2 2.66Å; R157-D256 PolarHBondContact NH1-OD2 3.37Å; R157-D256 IonicContact NH2-OD2 3.53Å; R157-D256 PolarHBondContact NH2-OD2 3.15Å
158L98.8Very high98.7Very high12 Ų1222 Ų226%0.06311%0.113CC..Hα-helixtrans-63.7-43.7175.717756.3000110.9T156 N161 R162 S245 A246 A249T156-L158 PolarHBondContact O-N 3.19Å; L158-N161 PolarHBondContact O-N 2.95Å; L158-R162 WeakPolarHBondContact O-CD 3.18Å; L158-R162 VanDerWaalsContact O-CG 3.23Å; L158-R162 WeakPolarHBondContact O-CG 3.12Å; L158-R162 PolarHBondContact O-N 3.26Å; L158-S245 WeakPolarHBondContact CD1-O 3.42Å; L158-A246 HydrophobicContact CD2-CB 4.05Å; L158-A249 VanDerWaalsContact CA-CB 3.49Å; L158-A249 HydrophobicContact CB-CB 3.72Å; L158-A249 HydrophobicContact CD1-CB 4.21Å
159D98.8Very high98.7Very high1 Ų124.5 Ų24.51%0.00512%0.122CC..Hα-helixtrans-72.6-36.9178.6-58.6-41.6000111.8T156 R157 N161 R162 A163 I183 H187 Q191 V227T156-D159 PolarHBondContact O-N 2.9Å; T156-D159 VanDerWaalsContact O-N 3.07Å; R157-D159 VanDerWaalsContact C-N 3.34Å; D159-N161 VanDerWaalsContact C-N 3.34Å; D159-N161 PolarHBondContact O-N 2.95Å; D159-R162 WeakPolarHBondContact O-CB 3.45Å; D159-R162 PolarHBondContact O-N 2.98Å; D159-R162 VanDerWaalsContact O-N 3.16Å; D159-R162 IonicContact OD1-CZ 2.92Å; D159-R162 IonicContact OD1-NH1 3.06Å; D159-R162 PolarHBondContact OD1-NH1 3.45Å; D159-A163 WeakPolarHBondContact O-CB 3.31Å; D159-A163 PolarHBondContact O-N 3.17Å; D159-I183 HydrophobicContact CB-CD1 4.09Å; D159-I183 HydrophobicContact CB-CG1 3.99Å; D159-I183 HydrophobicContact CB-CG2 4.3Å; D159-H187 IonicContact OD1-CE1 2.74Å; D159-H187 IonicContact OD2-CE1 2.75Å; D159-H187 PolarHBondContact OD2-CE1 2.65Å; D159-H187 IonicContact OD2-CG 2.72Å; D159-H187 IonicContact OD2-ND1 3.87Å; D159-H187 PolarHBondContact OD2-ND1 3.24Å; D159-Q191 PolarHBondContact OD2-NE2 2.75Å; D159-Q191 PolarHBondContact OD2-OE1 2.86Å; D159-V227 HydrophobicContact CB-CG1 4.34Å
160H98.9Very high98.7Very high12 Ų1226.6 Ų26.66%0.05613%0.127CC..Hα-helixtrans-55.9-50170.6178.5104.4000110.7T156 R157 R162 A163 C164 V181 I183 S268T156-H160 PolarHBondContact O-N 2.77Å; R157-H160 PolarHBondContact O-N 3.28Å; H160-R162 VanDerWaalsContact C-N 3.32Å; H160-R162 PolarHBondContact O-N 3.4Å; H160-A163 PolarHBondContact O-N 3.44Å; H160-C164 PolarHBondContact O-N 2.93Å; H160-C164 PolarHBondContact O-SG 3.42Å; H160-C164 VanDerWaalsContact O-SG 3.34Å; H160-V181 PolarHBondContact CE1-O 3Å; H160-V181 PolarHBondContact ND1-O 3.28Å; H160-I183 HydrophobicContact CB-CG1 3.9Å; H160-I183 VanDerWaalsContact N-CG1 3.3Å; H160-S268 PolarHBondContact ND1-OG 3.4Å
161N98.9Very high98.7Very high39 Ų3923.2 Ų23.221%0.20911%0.114CC..Hα-helixtrans-62.5-37.9177.9-73.2-8.4000112.1R157 L158 D159 S165 D252R157-N161 PolarHBondContact NE-OD1 3.23Å; R157-N161 WeakPolarHBondContact O-CB 3.43Å; R157-N161 PolarHBondContact O-N 3.1Å; L158-N161 PolarHBondContact O-N 2.95Å; D159-N161 VanDerWaalsContact C-N 3.34Å; D159-N161 PolarHBondContact O-N 2.95Å; N161-S165 WeakPolarHBondContact O-CB 3.43Å; N161-S165 PolarHBondContact O-N 3.34Å; N161-D252 PolarHBondContact ND2-OD2 2.59Å
162R98.8Very high98.6Very high27 Ų2725.9 Ų25.910%0.10215%0.146CC..Hα-helixtrans-64.3-44.6174.6-73.6162.3167.91680.1111.4L158 D159 H160 S165 Q166 V227 R230 S242L158-R162 WeakPolarHBondContact O-CD 3.18Å; L158-R162 VanDerWaalsContact O-CG 3.23Å; L158-R162 WeakPolarHBondContact O-CG 3.12Å; L158-R162 PolarHBondContact O-N 3.26Å; D159-R162 WeakPolarHBondContact O-CB 3.45Å; D159-R162 PolarHBondContact O-N 2.98Å; D159-R162 VanDerWaalsContact O-N 3.16Å; D159-R162 IonicContact OD1-CZ 2.92Å; D159-R162 IonicContact OD1-NH1 3.06Å; D159-R162 PolarHBondContact OD1-NH1 3.45Å; H160-R162 VanDerWaalsContact C-N 3.32Å; H160-R162 PolarHBondContact O-N 3.4Å; R162-S165 WeakPolarHBondContact O-CB 3.37Å; R162-S165 PolarHBondContact O-N 3Å; R162-Q166 WeakPolarHBondContact O-CG 3.3Å; R162-Q166 PolarHBondContact O-N 3.08Å; R162-V227 HydrophobicContact CB-CG1 4.47Å; R162-R230 HydrophobicContact CG-CB 4.47Å; R162-R230 HydrophobicContact CG-CG 3.95Å; R162-S242 PolarHBondContact NH2-OG 3.47Å
163A98.9Very high98.6Very high0 Ų027.7 Ų27.70%016%0.157CC..Hα-helixtrans-64-47178.600000111.4D159 H160 S165 Q166 V167 V181 I183 P193 F223 V227D159-A163 WeakPolarHBondContact O-CB 3.31Å; D159-A163 PolarHBondContact O-N 3.17Å; H160-A163 PolarHBondContact O-N 3.44Å; A163-S165 VanDerWaalsContact C-N 3.26Å; A163-S165 PolarHBondContact O-N 3.11Å; A163-Q166 PolarHBondContact O-N 3.04Å; A163-Q166 VanDerWaalsContact O-N 3.14Å; A163-V167 PolarHBondContact O-N 2.79Å; A163-V181 HydrophobicContact CB-CG1 3.58Å; A163-I183 HydrophobicContact CB-CD1 4.06Å; A163-P193 HydrophobicContact CB-CB 4.3Å; A163-F223 HydrophobicContact CB-CE2 4.26Å; A163-F223 HydrophobicContact CB-CZ 3.92Å; A163-V227 HydrophobicContact CB-CG1 4.35Å; A163-V227 HydrophobicContact CB-CG2 4.01Å
164C98.8Very high98.5Very high10 Ų1030.9 Ų30.97%0.06818%0.179CC..Hα-helixtrans-55.2-42.8172.1-66.90000111.8H160 A168 V178H160-C164 PolarHBondContact O-N 2.93Å; H160-C164 PolarHBondContact O-SG 3.42Å; H160-C164 VanDerWaalsContact O-SG 3.34Å; C164-A168 WeakPolarHBondContact O-CB 3.39Å; C164-A168 PolarHBondContact O-N 2.94Å; C164-V178 HydrophobicContact CB-CB 4.4Å; C164-V178 HydrophobicContact CB-CG1 4.29Å
165S98.7Very high98.4Very high46 Ų4634.1 Ų34.132%0.32220%0.202SC..Hα-helixtrans-64.6-41.5177.4179.70000113N161 R162 A163 A168 M169N161-S165 WeakPolarHBondContact O-CB 3.43Å; N161-S165 PolarHBondContact O-N 3.34Å; R162-S165 WeakPolarHBondContact O-CB 3.37Å; R162-S165 PolarHBondContact O-N 3Å; A163-S165 VanDerWaalsContact C-N 3.26Å; A163-S165 PolarHBondContact O-N 3.11Å; S165-A168 PolarHBondContact O-N 3.04Å; S165-M169 WeakPolarHBondContact O-CB 3.44Å; S165-M169 VanDerWaalsContact O-CG 3.3Å; S165-M169 WeakPolarHBondContact O-CG 3.36Å; S165-M169 PolarHBondContact O-N 2.96Å
166Q98.8Very high98.3Very high25 Ų2538 Ų3812%0.11723%0.229CC..Hα-helixtrans-63.9-45.1177.7-69-56.1-45.700111.8R162 A163 M169 R170 W218 F223 T226 V227R162-Q166 WeakPolarHBondContact O-CG 3.3Å; R162-Q166 PolarHBondContact O-N 3.08Å; A163-Q166 PolarHBondContact O-N 3.04Å; A163-Q166 VanDerWaalsContact O-N 3.14Å; Q166-M169 VanDerWaalsContact NE2-CE 3.26Å; Q166-R170 WeakPolarHBondContact O-CB 3.49Å; Q166-R170 PolarHBondContact O-N 3.3Å; Q166-W218 HydrophobicContact CB-CH2 4.4Å; Q166-F223 HydrophobicContact CB-CD2 3.86Å; Q166-F223 HydrophobicContact CB-CE2 3.83Å; Q166-T226 HydrophobicContact CG-CG2 4.1Å; Q166-V227 HydrophobicContact CG-CG2 4.13Å
167V98.7Very high98.2Very high0 Ų041.3 Ų41.30%025%0.245CC..Hα-helixtrans-61.9-47175.6175.80000110.6A163 M169 R170 C171 V178 V195 V200 V213 F223A163-V167 PolarHBondContact O-N 2.79Å; V167-M169 PolarHBondContact O-N 2.54Å; V167-R170 WeakPolarHBondContact O-CB 3.2Å; V167-R170 PolarHBondContact O-N 2.59Å; V167-R170 VanDerWaalsContact O-N 3.17Å; V167-C171 PolarHBondContact O-N 3.05Å; V167-C171 PolarHBondContact O-SG 3.02Å; V167-V178 HydrophobicContact CB-CG1 4.21Å; V167-V178 HydrophobicContact CB-CG2 4.33Å; V167-V178 HydrophobicContact CG1-CG1 4.08Å; V167-V178 HydrophobicContact CG1-CG2 4.02Å; V167-V195 HydrophobicContact CG2-CG1 3.85Å; V167-V200 HydrophobicContact CG1-CG2 3.71Å; V167-V213 HydrophobicContact CG1-CG2 4.38Å; V167-F223 HydrophobicContact CG2-CE2 3.76Å; V167-F223 HydrophobicContact CG2-CZ 4.05Å
168A98.6Very high98.2Very high3 Ų340.7 Ų40.73%0.02524%0.243CC..Hα-helixtrans-60.1-46.3-17900000112.2C164 S165 R170 C171 G172 V173 V178C164-A168 WeakPolarHBondContact O-CB 3.39Å; C164-A168 PolarHBondContact O-N 2.94Å; S165-A168 PolarHBondContact O-N 3.04Å; A168-R170 VanDerWaalsContact C-N 3.33Å; A168-R170 PolarHBondContact O-N 3.14Å; A168-C171 CarbonylContact O-C 3.58Å; A168-C171 PolarHBondContact O-N 2.91Å; A168-G172 PolarHBondContact O-N 2.81Å; A168-V173 CarbonylContact C-O 3.4Å; A168-V173 HydrophobicContact CB-CG2 4.24Å; A168-V173 WeakPolarHBondContact CB-O 3.33Å; A168-V173 PolarHBondContact O-N 3.16Å; A168-V178 HydrophobicContact CB-CG2 3.78Å
169M98.4Very high98.2Very high112 Ų11242.8 Ų42.855%0.55225%0.252SS*.Hα-helixtrans-61.8-41.2175.6-73.7-174.1-60.700111.8S165 Q166 V167 C171 G172S165-M169 WeakPolarHBondContact O-CB 3.44Å; S165-M169 VanDerWaalsContact O-CG 3.3Å; S165-M169 WeakPolarHBondContact O-CG 3.36Å; S165-M169 PolarHBondContact O-N 2.96Å; Q166-M169 VanDerWaalsContact NE2-CE 3.26Å; V167-M169 PolarHBondContact O-N 2.54Å; M169-C171 VanDerWaalsContact C-N 3.28Å; M169-C171 PolarHBondContact O-N 3.22Å; M169-G172 PolarHBondContact O-N 3.38Å
170R97.9Very high98.2Very high122 Ų12243.5 Ų43.546%0.4626%0.256SS..Hα-helixtrans-63.4-35.6178.4-169.563171.1-171.2-3.3112.2Q166 V167 A168 V213 N215 W218Q166-R170 WeakPolarHBondContact O-CB 3.49Å; Q166-R170 PolarHBondContact O-N 3.3Å; V167-R170 WeakPolarHBondContact O-CB 3.2Å; V167-R170 PolarHBondContact O-N 2.59Å; V167-R170 VanDerWaalsContact O-N 3.17Å; A168-R170 VanDerWaalsContact C-N 3.33Å; A168-R170 PolarHBondContact O-N 3.14Å; R170-V213 HydrophobicContact CG-CG1 3.79Å; R170-V213 HydrophobicContact CG-CG2 4.22Å; R170-N215 PolarHBondContact NH2-ND2 3.25Å; R170-W218 HydrophobicContact CB-CH2 3.84Å; R170-W218 HydrophobicContact CB-CZ2 4.4Å; R170-W218 HydrophobicContact CB-CZ3 4.09Å; R170-W218 HydrophobicContact CG-CE3 4.15Å; R170-W218 HydrophobicContact CG-CH2 3.96Å; R170-W218 HydrophobicContact CG-CZ2 4.36Å; R170-W218 HydrophobicContact CG-CZ3 3.84Å
171C97.6Very high98.2Very high29 Ų2943 Ų4320%0.19625%0.253CS..Hα-helixtrans-88.1-5.4178.3-65.70000114V167 A168 M169 V173 V200 V202 V213V167-C171 PolarHBondContact O-N 3.05Å; V167-C171 PolarHBondContact O-SG 3.02Å; A168-C171 CarbonylContact O-C 3.58Å; A168-C171 PolarHBondContact O-N 2.91Å; M169-C171 VanDerWaalsContact C-N 3.28Å; M169-C171 PolarHBondContact O-N 3.22Å; C171-V173 HydrophobicContact CB-CG2 3.99Å; C171-V200 HydrophobicContact CB-CG1 4.29Å; C171-V202 HydrophobicContact CB-CG1 4.34Å; C171-V213 VanDerWaalsContact SG-CG2 3.56Å
172G97.3Very high98.2Very high72 Ų7241.1 Ų41.174%0.74224%0.243SC*.THydrogen-bonded Turntrans67.631-176.500000114.2A168 M169A168-G172 PolarHBondContact O-N 2.81Å; M169-G172 PolarHBondContact O-N 3.38Å
173V97.9Very high98.2Very high39 Ų3939.8 Ų39.824%0.23624%0.239CC..SBendtrans-121.7167.5-178.7-60.80000112A168 C171 Q177 V200 V202A168-V173 CarbonylContact C-O 3.4Å; A168-V173 HydrophobicContact CB-CG2 4.24Å; A168-V173 WeakPolarHBondContact CB-O 3.33Å; A168-V173 PolarHBondContact O-N 3.16Å; C171-V173 HydrophobicContact CB-CG2 3.99Å; V173-Q177 HydrophobicContact CB-CB 4.14Å; V173-Q177 HydrophobicContact CB-CG 4.27Å; V173-Q177 HydrophobicContact CG2-CB 4Å; V173-V200 HydrophobicContact CG2-CG1 4.01Å; V173-V202 HydrophobicContact CG1-CG1 4.1Å
174S97.4Very high98.2Very high68 Ų6839.8 Ų39.848%0.47624%0.239SC..  trans-67.1147.7170.31750000110.8S176 Q177S174-S176 WeakPolarHBondContact CB-OG 3.44Å; S174-S176 PolarHBondContact O-N 3.44Å; S174-S176 VanDerWaalsContact O-N 3.14Å; S174-S176 PolarHBondContact OG-N 3.43Å; S174-S176 PolarHBondContact OG-OG 2.89Å; S174-Q177 VanDerWaalsContact O-CB 3.3Å; S174-Q177 WeakPolarHBondContact O-CB 3.36Å; S174-Q177 PolarHBondContact O-N 2.97Å
175S97.3Very high98.2Very high69 Ų6939.3 Ų39.348%0.48324%0.235SC..G310 helixtrans-60.2-22.6174.256.60000113.5Q177 V178S175-Q177 PolarHBondContact O-N 3.46Å; S175-V178 PolarHBondContact O-N 3.07Å
176S96.2Very high98.2Very high87 Ų8737.2 Ų37.261%0.60822%0.22SC*.G310 helixtrans-63.8-17.3171.462.10000114.1S174 V178S174-S176 WeakPolarHBondContact CB-OG 3.44Å; S174-S176 PolarHBondContact O-N 3.44Å; S174-S176 VanDerWaalsContact O-N 3.14Å; S174-S176 PolarHBondContact OG-N 3.43Å; S174-S176 PolarHBondContact OG-OG 2.89Å; S176-V178 VanDerWaalsContact C-N 3.34Å
177Q97.8Very high98.1Very high70 Ų7038 Ų3833%0.32722%0.224SC..G310 helixtrans-90.70.7178.7-55.1-54.7-59.600112.6V173 S174 S175 V200 N201V173-Q177 HydrophobicContact CB-CB 4.14Å; V173-Q177 HydrophobicContact CB-CG 4.27Å; V173-Q177 HydrophobicContact CG2-CB 4Å; S174-Q177 VanDerWaalsContact O-CB 3.3Å; S174-Q177 WeakPolarHBondContact O-CB 3.36Å; S174-Q177 PolarHBondContact O-N 2.97Å; S175-Q177 PolarHBondContact O-N 3.46Å; Q177-V200 CarbonylContact O-C 3.57Å; Q177-V200 VanDerWaalsContact O-CA 3.31Å; Q177-V200 WeakPolarHBondContact O-CA 3.28Å; Q177-N201 HydrophobicContact CB-CB 4.18Å; Q177-N201 PolarHBondContact O-N 3.01Å
178V98.4Very high98Very high11 Ų1139 Ų397%0.06723%0.231CC..EExtended strand (participates in β ladder)trans-113125.3178-176.20000108.9C164 V167 A168 S175 S176 V181 K199 V200C164-V178 HydrophobicContact CB-CB 4.4Å; C164-V178 HydrophobicContact CB-CG1 4.29Å; V167-V178 HydrophobicContact CB-CG1 4.21Å; V167-V178 HydrophobicContact CB-CG2 4.33Å; V167-V178 HydrophobicContact CG1-CG1 4.08Å; V167-V178 HydrophobicContact CG1-CG2 4.02Å; A168-V178 HydrophobicContact CB-CG2 3.78Å; S175-V178 PolarHBondContact O-N 3.07Å; S176-V178 VanDerWaalsContact C-N 3.34Å; V178-V181 HydrophobicContact CG1-CG2 3.69Å; V178-K199 WeakPolarHBondContact CA-O 3.44Å; V178-V200 HydrophobicContact CG2-CG1 4.17Å; V178-V200 HydrophobicContact CG2-CG2 4.33Å
179K97.9Very high97.7Very high57 Ų5742 Ų4225%0.24825%0.252CS..EExtended strand (participates in β ladder)trans-133.9165.5175.964.7178.8175.5-175.50111.3V181 A198 K199 E206 E265K179-V181 VanDerWaalsContact C-N 3.26Å; K179-V181 PolarHBondContact O-N 3.21Å; K179-A198 VanDerWaalsContact O-CA 3.31Å; K179-A198 WeakPolarHBondContact O-CA 3.38Å; K179-K199 HydrophobicContact CG-CB 3.89Å; K179-K199 PolarHBondContact N-O 3.03Å; K179-K199 PolarHBondContact O-N 3.35Å; K179-E206 WeakPolarHBondContact CE-OE2 3.17Å; K179-E206 IonicContact NZ-OE1 2.72Å; K179-E206 IonicContact NZ-OE2 2.75Å; K179-E206 PolarHBondContact NZ-OE2 3.4Å; K179-E265 HydrophobicContact CB-CG 4.27Å; K179-E265 HydrophobicContact CD-CG 3.86Å
180N98.6Very high97.7Very high16 Ų1638.6 Ų38.69%0.08624%0.237CC..  trans62.129.4173.2-65.5-5.2000114.6H197 A198 G264 E265 F266N180-H197 WeakPolarHBondContact CB-O 3.42Å; N180-H197 CarbonylContact O-C 3.57Å; N180-A198 VanDerWaalsContact O-CA 3.3Å; N180-A198 WeakPolarHBondContact O-CA 3.31Å; N180-A198 PolarHBondContact O-N 2.9Å; N180-G264 PolarHBondContact ND2-O 2.89Å; N180-G264 VanDerWaalsContact ND2-O 3.07Å; N180-E265 VanDerWaalsContact OD1-CA 3.28Å; N180-E265 WeakPolarHBondContact OD1-CA 3.45Å; N180-F266 VanDerWaalsContact CA-CE2 3.45Å; N180-F266 HydrophobicContact CB-CD2 4.18Å; N180-F266 HydrophobicContact CB-CE1 3.95Å; N180-F266 HydrophobicContact CB-CE2 3.5Å; N180-F266 VanDerWaalsContact CB-CE2 3.5Å; N180-F266 HydrophobicContact CB-CZ 3.39Å; N180-F266 WeakPolarHBondContact O-CE2 3.34Å; N180-F266 PolarHBondContact OD1-N 3.49Å
181V98.8Very high97.7Very high0 Ų033 Ų330%022%0.216CC..  trans-73.1143.5163.5177.70000108.9H160 A163 V178 K179 V195 A198H160-V181 PolarHBondContact CE1-O 3Å; H160-V181 PolarHBondContact ND1-O 3.28Å; A163-V181 HydrophobicContact CB-CG1 3.58Å; V178-V181 HydrophobicContact CG1-CG2 3.69Å; K179-V181 VanDerWaalsContact C-N 3.26Å; K179-V181 PolarHBondContact O-N 3.21Å; V181-V195 HydrophobicContact CG1-CG1 4.28Å; V181-V195 HydrophobicContact CG2-CG1 4.28Å; V181-A198 HydrophobicContact CG2-CB 3.77Å
182I98.9Very high97.8Very high0 Ų031.8 Ų31.80%021%0.208CC..EExtended strand (participates in β ladder)trans-123.1134.1-177.6-47.4170.5000109.3W184 P193 D194 H197 F266 S268 P289 L303I182-W184 HydrophobicContact CD1-CZ2 3.92Å; I182-W184 HydrophobicContact CG2-CD2 3.8Å; I182-W184 VanDerWaalsContact CG2-CE2 3.47Å; I182-W184 HydrophobicContact CG2-CG 3.95Å; I182-W184 HydrophobicContact CG2-CZ2 4.02Å; I182-P193 CarbonylContact O-C 3.56Å; I182-P193 WeakPolarHBondContact O-CA 3.26Å; I182-D194 HydrophobicContact CB-CB 4.18Å; I182-D194 PolarHBondContact N-O 3.19Å; I182-D194 PolarHBondContact O-N 2.9Å; I182-H197 HydrophobicContact CD1-CB 4.32Å; I182-F266 HydrophobicContact CD1-CE2 3.8Å; I182-F266 HydrophobicContact CD1-CZ 4.21Å; I182-F266 HydrophobicContact CG1-CD2 4.25Å; I182-F266 HydrophobicContact CG1-CE2 3.53Å; I182-F266 HydrophobicContact CG1-CZ 4.38Å; I182-S268 WeakPolarHBondContact CA-OG 3.38Å; I182-P289 HydrophobicContact CD1-CB 3.99Å; I182-P289 HydrophobicContact CD1-CG 4.06Å; I182-P289 HydrophobicContact CG1-CB 4.05Å; I182-P289 HydrophobicContact CG2-CB 3.98Å; I182-P289 HydrophobicContact CG2-CG 4.09Å; I182-L303 HydrophobicContact CD1-CD1 3.75Å
183I98.9Very high97.9Very high0 Ų028.5 Ų28.50%017%0.173CC..EExtended strand (participates in β ladder)trans-104.6112.3163.4-53.5-56.2000106.5T156 D159 H160 A163 Q191 Y192 P193 S268 S287T156-I183 HydrophobicContact CG2-CG2 4.4Å; D159-I183 HydrophobicContact CB-CD1 4.09Å; D159-I183 HydrophobicContact CB-CG1 3.99Å; D159-I183 HydrophobicContact CB-CG2 4.3Å; H160-I183 HydrophobicContact CB-CG1 3.9Å; H160-I183 VanDerWaalsContact N-CG1 3.3Å; A163-I183 HydrophobicContact CB-CD1 4.06Å; I183-Q191 HydrophobicContact CG2-CB 4.15Å; I183-Y192 WeakPolarHBondContact CA-O 3.36Å; I183-P193 HydrophobicContact CD1-CB 3.86Å; I183-P193 HydrophobicContact CD1-CG 4.33Å; I183-S268 PolarHBondContact N-OG 3.11Å; I183-S287 WeakPolarHBondContact O-CB 3.3Å; I183-S287 PolarHBondContact O-OG 3.05Å
184W98.9Very high97.9Very high0 Ų026.6 Ų26.60%016%0.162CC..EExtended strand (participates in β ladder)trans-92.7140.7174.8-60.595.1000111I182 Y192 D194 Y278 Y286 S287 F288 P289 L303 I305 M313I182-W184 HydrophobicContact CD1-CZ2 3.92Å; I182-W184 HydrophobicContact CG2-CD2 3.8Å; I182-W184 VanDerWaalsContact CG2-CE2 3.47Å; I182-W184 HydrophobicContact CG2-CG 3.95Å; I182-W184 HydrophobicContact CG2-CZ2 4.02Å; W184-Y192 HydrophobicContact CB-CD1 4.24Å; W184-Y192 AromaticContact CD1-CD1 3.54Å; W184-Y192 AromaticContact CD1-CE1 3.97Å; W184-Y192 HydrophobicContact CG-CD1 4.15Å; W184-Y192 PolarHBondContact N-O 3.48Å; W184-Y192 PolarHBondContact O-N 2.93Å; W184-D194 PolarHBondContact NE1-OD2 3.26Å; W184-Y278 HydrophobicContact CH2-CD1 4.03Å; W184-Y278 AromaticContact CH2-CD2 3.94Å; W184-Y278 HydrophobicContact CH2-CD2 3.94Å; W184-Y278 AromaticContact CH2-CE1 3.9Å; W184-Y278 HydrophobicContact CH2-CE1 3.9Å; W184-Y278 AromaticContact CH2-CE2 3.8Å; W184-Y278 HydrophobicContact CH2-CE2 3.8Å; W184-Y278 HydrophobicContact CH2-CG 4.05Å; W184-Y278 AromaticContact CH2-CZ 3.78Å; W184-Y278 HydrophobicContact CZ3-CD1 4.44Å; W184-Y278 AromaticContact CZ3-CD2 3.89Å; W184-Y278 HydrophobicContact CZ3-CD2 3.89Å; W184-Y278 HydrophobicContact CZ3-CE2 4.15Å; W184-Y278 HydrophobicContact CZ3-CG 4.05Å; W184-Y286 HydrophobicContact CB-CE1 4.12Å; W184-Y286 HydrophobicContact CE3-CE1 4.07Å; W184-S287 WeakPolarHBondContact CA-O 3.44Å; W184-F288 HydrophobicContact CE3-CD1 4.07Å; W184-F288 AromaticContact CZ3-CD1 3.6Å; W184-F288 HydrophobicContact CZ3-CD1 3.6Å; W184-F288 HydrophobicContact CZ3-CE1 4.15Å; W184-P289 HydrophobicContact CH2-CG 3.68Å; W184-P289 HydrophobicContact CZ2-CG 3.9Å; W184-P289 VanDerWaalsContact CZ3-CD 3.47Å; W184-P289 HydrophobicContact CZ3-CG 4.28Å; W184-L303 HydrophobicContact CZ2-CD1 4.47Å; W184-I305 HydrophobicContact CZ2-CD1 4.21Å; W184-M313 HydrophobicContact CB-CG 4.16Å; W184-M313 HydrophobicContact CD2-CE 4.07Å; W184-M313 HydrophobicContact CD2-CG 4.31Å; W184-M313 HydrophobicContact CD2-SD 4.24Å; W184-M313 HydrophobicContact CE3-CE 3.71Å; W184-M313 HydrophobicContact CE3-SD 4.48Å; W184-M313 HydrophobicContact CG-CG 4.11Å; W184-M313 HydrophobicContact CH2-CE 4.07Å; W184-M313 HydrophobicContact CZ2-CE 4.43Å; W184-M313 HydrophobicContact CZ3-CE 3.67Å
185G98.8Very high98Very high0 Ų023.6 Ų23.60%014%0.14CC..BIsolated β-bridgetrans89.6-139.6165.600000117N134 Y286 S287N134-G185 PolarHBondContact ND2-O 2.91Å; N134-G185 VanDerWaalsContact ND2-O 3.12Å; G185-Y286 VanDerWaalsContact CA-CE1 3.41Å; G185-Y286 VanDerWaalsContact CA-CE2 3.41Å; G185-S287 PolarHBondContact N-O 2.91Å; G185-S287 VanDerWaalsContact N-O 3.12Å; G185-S287 WeakPolarHBondContact O-CB 3.33Å; G185-S287 PolarHBondContact O-N 3.38Å
186N98.7Very high98Very high1 Ų122.3 Ų22.31%0.00513%0.127CC..  trans-77.2146.2-174.5-158.7-2.5000111.3N134 S188 Q191 T316 E319 L320N134-N186 PolarHBondContact OD1-OD1 3.04Å; N186-S188 PolarHBondContact O-N 2.91Å; N186-Q191 WeakPolarHBondContact O-CB 3.46Å; N186-T316 PolarHBondContact N-OG1 2.78Å; N186-E319 PolarHBondContact ND2-OE2 3.14Å; N186-L320 HydrophobicContact CB-CD1 4Å; N186-L320 HydrophobicContact CB-CD2 3.9Å; N186-L320 HydrophobicContact CB-CG 3.76Å; N186-L320 VanDerWaalsContact CG-CD2 3.48Å
187H97.9Very high98Very high41 Ų4119.9 Ų19.919%0.1911%0.106CC..SBendtrans-7470.9162.1-178.550.1000109.9N131 A133 N134 T156 D159N131-H187 PolarHBondContact OD1-CD2 3.37Å; N131-H187 VanDerWaalsContact OD1-CD2 3.27Å; A133-H187 HydrophobicContact CB-CB 4.45Å; N134-H187 PolarHBondContact OD1-N 3.31Å; T156-H187 HydrophobicContact CG2-CB 4.18Å; D159-H187 IonicContact OD1-CE1 2.74Å; D159-H187 IonicContact OD2-CE1 2.75Å; D159-H187 PolarHBondContact OD2-CE1 2.65Å; D159-H187 IonicContact OD2-CG 2.72Å; D159-H187 IonicContact OD2-ND1 3.87Å; D159-H187 PolarHBondContact OD2-ND1 3.24Å
188S95.3Very high98.1Very high21 Ų2116.6 Ų16.615%0.1479%0.09CC..SBendtrans-147.4-169.6-175.482.30000111.5N186 T190 Q191 E319N186-S188 PolarHBondContact O-N 2.91Å; S188-T190 PolarHBondContact O-N 3.36Å; S188-T190 PolarHBondContact OG-N 2.65Å; S188-T190 PolarHBondContact OG-OG1 3.27Å; S188-Q191 VanDerWaalsContact O-CG 3.26Å; S188-Q191 WeakPolarHBondContact O-CG 3.23Å; S188-Q191 PolarHBondContact O-N 3.12Å; S188-Q191 PolarHBondContact O-NE2 3.45Å; S188-E319 WeakPolarHBondContact CB-OE2 3.43Å; S188-E319 PolarHBondContact OG-OE2 2.94Å
189S93.7Very high98.1Very high67 Ų6719.9 Ų19.947%0.46910%0.104SC..THydrogen-bonded Turntrans-70.6-12.4170.351.90000113.8Q228S189-Q228 PolarHBondContact O-NE2 3.21Å; S189-Q228 VanDerWaalsContact O-NE2 3.09Å; S189-Q228 PolarHBondContact O-OE1 3.11Å
190T97.6Very high98.1Very high40 Ų4017.2 Ų17.225%0.2459%0.092CC..THydrogen-bonded Turntrans-90.7-8.7176.671.40000113.1S188 T316 E319S188-T190 PolarHBondContact O-N 3.36Å; S188-T190 PolarHBondContact OG-N 2.65Å; S188-T190 PolarHBondContact OG-OG1 3.27Å; T190-T316 WeakPolarHBondContact O-CB 3.46Å; T190-T316 VanDerWaalsContact OG1-CB 3.31Å; T190-T316 WeakPolarHBondContact OG1-CB 3.4Å; T190-T316 PolarHBondContact OG1-OG1 2.72Å; T190-E319 HydrophobicContact CG2-CB 4.23Å; T190-E319 VanDerWaalsContact CG2-CD 3.46Å; T190-E319 HydrophobicContact CG2-CG 4.34Å; T190-E319 WeakPolarHBondContact CG2-OE2 3.38Å; T190-E319 PolarHBondContact OG1-OE2 3.49Å
191Q98.5Very high98Very high4 Ų419 Ų192%0.01910%0.102CC..  trans-47.3144.1177.672.4-179.4-83.800111.1D159 I183 N186 S188 P193 Q228D159-Q191 PolarHBondContact OD2-NE2 2.75Å; D159-Q191 PolarHBondContact OD2-OE1 2.86Å; I183-Q191 HydrophobicContact CG2-CB 4.15Å; N186-Q191 WeakPolarHBondContact O-CB 3.46Å; S188-Q191 VanDerWaalsContact O-CG 3.26Å; S188-Q191 WeakPolarHBondContact O-CG 3.23Å; S188-Q191 PolarHBondContact O-N 3.12Å; S188-Q191 PolarHBondContact O-NE2 3.45Å; Q191-P193 WeakPolarHBondContact O-CD 3.1Å; Q191-Q228 HydrophobicContact CG-CG 3.75Å; Q191-Q228 PolarHBondContact O-NE2 3.37Å
192Y98.9Very high97.8Very high5 Ų520.2 Ų20.22%0.0211%0.109CC..EExtended strand (participates in β ladder)trans-111.7102.2176.8172.3-137.2000110.8I183 W184 D194 H196 I224 F308 S309 K312 M313I183-Y192 WeakPolarHBondContact CA-O 3.36Å; W184-Y192 HydrophobicContact CB-CD1 4.24Å; W184-Y192 AromaticContact CD1-CD1 3.54Å; W184-Y192 AromaticContact CD1-CE1 3.97Å; W184-Y192 HydrophobicContact CG-CD1 4.15Å; W184-Y192 PolarHBondContact N-O 3.48Å; W184-Y192 PolarHBondContact O-N 2.93Å; Y192-D194 HydrophobicContact CD1-CB 4.06Å; Y192-D194 HydrophobicContact CE1-CB 3.56Å; Y192-D194 HydrophobicContact CE2-CB 4.15Å; Y192-D194 PolarHBondContact O-N 2.92Å; Y192-D194 PolarHBondContact OH-OD1 3.38Å; Y192-H196 PolarHBondContact OH-CE1 2.68Å; Y192-H196 PolarHBondContact OH-ND1 3.24Å; Y192-I224 HydrophobicContact CD2-CD1 4.16Å; Y192-I224 HydrophobicContact CE2-CD1 4.03Å; Y192-F308 HydrophobicContact CE2-CD1 4.47Å; Y192-F308 AromaticContact CE2-CE1 3.95Å; Y192-F308 HydrophobicContact CE2-CE1 3.95Å; Y192-S309 PolarHBondContact OH-OG 3.03Å; Y192-K312 HydrophobicContact CD1-CB 3.91Å; Y192-K312 HydrophobicContact CD2-CB 3.94Å; Y192-K312 HydrophobicContact CD2-CG 4.1Å; Y192-K312 HydrophobicContact CE1-CB 4.43Å; Y192-K312 HydrophobicContact CE2-CB 4.47Å; Y192-K312 HydrophobicContact CE2-CG 4.4Å; Y192-K312 HydrophobicContact CG-CB 3.64Å; Y192-K312 HydrophobicContact CG-CG 4.31Å; Y192-M313 HydrophobicContact CD1-CG 4.13Å
193P98.8Very high97Very high2 Ų225.9 Ų25.91%0.01316%0.156CC..EExtended strand (participates in β ladder)trans-73.8108.2167.9-9.626.8000109.3A163 I182 I183 Q191 F223 V227A163-P193 HydrophobicContact CB-CB 4.3Å; I182-P193 CarbonylContact O-C 3.56Å; I182-P193 WeakPolarHBondContact O-CA 3.26Å; I183-P193 HydrophobicContact CD1-CB 3.86Å; I183-P193 HydrophobicContact CD1-CG 4.33Å; Q191-P193 WeakPolarHBondContact O-CD 3.1Å; P193-F223 HydrophobicContact CB-CE1 3.78Å; P193-F223 HydrophobicContact CB-CZ 4.04Å; P193-F223 WeakPolarHBondContact O-CE1 3.43Å; P193-V227 HydrophobicContact CB-CB 4.29Å; P193-V227 HydrophobicContact CB-CG1 4.16Å; P193-V227 HydrophobicContact CB-CG2 4.38Å; P193-V227 HydrophobicContact CG-CB 3.71Å; P193-V227 HydrophobicContact CG-CG1 3.63Å; P193-V227 HydrophobicContact CG-CG2 4.3Å
194D98.8Very high96.1Very high0 Ų029.3 Ų29.30%019%0.192CC..EExtended strand (participates in β ladder)trans-108132.5-176.8178.118.5000110.8I182 W184 Y192 H196 H197I182-D194 HydrophobicContact CB-CB 4.18Å; I182-D194 PolarHBondContact N-O 3.19Å; I182-D194 PolarHBondContact O-N 2.9Å; W184-D194 PolarHBondContact NE1-OD2 3.26Å; Y192-D194 HydrophobicContact CD1-CB 4.06Å; Y192-D194 HydrophobicContact CE1-CB 3.56Å; Y192-D194 HydrophobicContact CE2-CB 4.15Å; Y192-D194 PolarHBondContact O-N 2.92Å; Y192-D194 PolarHBondContact OH-OD1 3.38Å; D194-H196 WeakPolarHBondContact OD1-CB 3.45Å; D194-H196 IonicContact OD1-CE1 3.41Å; D194-H196 IonicContact OD1-CG 2.75Å; D194-H196 PolarHBondContact OD1-N 2.93Å; D194-H196 IonicContact OD1-ND1 3.76Å; D194-H196 PolarHBondContact OD1-ND1 3.39Å; D194-H197 IonicContact OD2-CD2 3.12Å
195V98.4Very high95.8Very high4 Ų430.9 Ų30.92%0.02421%0.207CC..  trans-125.810.1178-57.60000112.9V167 V181 H197 A198 A209 Y210 L219 F223V167-V195 HydrophobicContact CG2-CG1 3.85Å; V181-V195 HydrophobicContact CG1-CG1 4.28Å; V181-V195 HydrophobicContact CG2-CG1 4.28Å; V195-H197 PolarHBondContact O-N 2.75Å; V195-A198 HydrophobicContact CB-CB 3.85Å; V195-A198 HydrophobicContact CG1-CB 4.33Å; V195-A198 WeakPolarHBondContact O-CB 3.43Å; V195-A198 PolarHBondContact O-N 3.25Å; V195-A198 VanDerWaalsContact O-N 3.11Å; V195-A209 HydrophobicContact CB-CB 3.8Å; V195-A209 HydrophobicContact CG2-CB 4.05Å; V195-Y210 HydrophobicContact CG2-CD2 4.43Å; V195-Y210 HydrophobicContact CG2-CE2 4.07Å; V195-L219 HydrophobicContact CG2-CD1 4.21Å; V195-L219 HydrophobicContact CG2-CD2 3.69Å; V195-L219 HydrophobicContact CG2-CG 4.42Å; V195-F223 HydrophobicContact CG1-CE1 3.65Å; V195-F223 HydrophobicContact CG1-CZ 3.53Å
196H97.6Very high95.7Very high42 Ų4235.9 Ų35.919%0.19423%0.231CC..THydrogen-bonded Turntrans-59.7-36.4177.3-69.390.4000111.8Y192 D194 Y210 N306 S309Y192-H196 PolarHBondContact OH-CE1 2.68Å; Y192-H196 PolarHBondContact OH-ND1 3.24Å; D194-H196 WeakPolarHBondContact OD1-CB 3.45Å; D194-H196 IonicContact OD1-CE1 3.41Å; D194-H196 IonicContact OD1-CG 2.75Å; D194-H196 PolarHBondContact OD1-N 2.93Å; D194-H196 IonicContact OD1-ND1 3.76Å; D194-H196 PolarHBondContact OD1-ND1 3.39Å; H196-Y210 HydrophobicContact CB-CE2 4.34Å; H196-Y210 AromaticContact CD2-CE2 3.4Å; H196-Y210 WeakPolarHBondContact CD2-CE2 3.48Å; H196-Y210 AromaticContact CD2-CZ 3.7Å; H196-Y210 AromaticContact CE1-CZ 3.98Å; H196-Y210 PolarHBondContact CE1-OH 3.05Å; H196-Y210 AromaticContact CG-CE2 3.7Å; H196-Y210 AromaticContact NE2-CE2 3.67Å; H196-Y210 AromaticContact NE2-CZ 3.47Å; H196-Y210 PolarHBondContact NE2-OH 3.28Å; H196-N306 PolarHBondContact CD2-ND2 3.47Å; H196-N306 PolarHBondContact NE2-ND2 3.1Å; H196-S309 PolarHBondContact CE1-OG 3.38Å; H196-S309 PolarHBondContact ND1-OG 2.77Å
197H97.9Very high95.6Very high37 Ų3740 Ų4017%0.17125%0.249CC..THydrogen-bonded Turntrans-97.60177.8-50.7-68.9000113.3N180 I182 D194 V195 F266 D304N180-H197 WeakPolarHBondContact CB-O 3.42Å; N180-H197 CarbonylContact O-C 3.57Å; I182-H197 HydrophobicContact CD1-CB 4.32Å; D194-H197 IonicContact OD2-CD2 3.12Å; V195-H197 PolarHBondContact O-N 2.75Å; H197-F266 HydrophobicContact CB-CZ 4.11Å; H197-D304 PolarHBondContact CE1-O 2.97Å; H197-D304 VanDerWaalsContact CE1-O 3.23Å; H197-D304 PolarHBondContact NE2-O 3.19Å
198A98.3Very high95.6Very high0 Ų039.1 Ų39.10%025%0.247CC..  trans-75.1144.9-17900000111.5K179 N180 V181 V195 A209K179-A198 VanDerWaalsContact O-CA 3.31Å; K179-A198 WeakPolarHBondContact O-CA 3.38Å; N180-A198 VanDerWaalsContact O-CA 3.3Å; N180-A198 WeakPolarHBondContact O-CA 3.31Å; N180-A198 PolarHBondContact O-N 2.9Å; V181-A198 HydrophobicContact CG2-CB 3.77Å; V195-A198 HydrophobicContact CB-CB 3.85Å; V195-A198 HydrophobicContact CG1-CB 4.33Å; V195-A198 WeakPolarHBondContact O-CB 3.43Å; V195-A198 PolarHBondContact O-N 3.25Å; V195-A198 VanDerWaalsContact O-N 3.11Å; A198-A209 HydrophobicContact CB-CB 3.92Å; A198-A209 PolarHBondContact O-N 3.42Å
199K98.3Very high95.7Very high81 Ų8138.1 Ų38.135%0.35224%0.24SC..EExtended strand (participates in β ladder)trans-116.5140.2177.9-59.4-64.3-175.2178.40109.8V178 K179 E206 K207V178-K199 WeakPolarHBondContact CA-O 3.44Å; K179-K199 HydrophobicContact CG-CB 3.89Å; K179-K199 PolarHBondContact N-O 3.03Å; K179-K199 PolarHBondContact O-N 3.35Å; K199-E206 HydrophobicContact CB-CG 3.83Å; K199-E206 HydrophobicContact CD-CG 4.29Å; K199-E206 HydrophobicContact CG-CG 4.31Å; K199-K207 CarbonylContact C-O 3.53Å; K199-K207 WeakPolarHBondContact CA-O 3.33Å
200V98.3Very high95.9Very high0 Ų036.6 Ų36.60%023%0.225CC..EExtended strand (participates in β ladder)trans-127.9124.1178.3-168.90000108.9V167 C171 V173 Q177 V178 V202 K207 A209 A212V167-V200 HydrophobicContact CG1-CG2 3.71Å; C171-V200 HydrophobicContact CB-CG1 4.29Å; V173-V200 HydrophobicContact CG2-CG1 4.01Å; Q177-V200 CarbonylContact O-C 3.57Å; Q177-V200 VanDerWaalsContact O-CA 3.31Å; Q177-V200 WeakPolarHBondContact O-CA 3.28Å; V178-V200 HydrophobicContact CG2-CG1 4.17Å; V178-V200 HydrophobicContact CG2-CG2 4.33Å; V200-V202 HydrophobicContact CG1-CG1 3.79Å; V200-V202 PolarHBondContact O-N 3.38Å; V200-K207 PolarHBondContact N-O 2.86Å; V200-K207 PolarHBondContact O-N 2.86Å; V200-A209 HydrophobicContact CG2-CB 4.07Å; V200-A212 HydrophobicContact CB-CB 3.85Å; V200-A212 HydrophobicContact CG1-CB 4.28Å; V200-A212 HydrophobicContact CG2-CB 4.11Å
201N97.1Very high95.9Very high55 Ų5540.2 Ų40.229%0.29424%0.239SC..EExtended strand (participates in β ladder)trans-82.8113.2169.7-172.7-20.4000109.3Q177 G204 G205Q177-N201 HydrophobicContact CB-CB 4.18Å; Q177-N201 PolarHBondContact O-N 3.01Å; N201-G204 WeakPolarHBondContact OD1-CA 3.49Å; N201-G204 PolarHBondContact OD1-N 2.92Å; N201-G205 WeakPolarHBondContact CA-O 3.34Å; N201-G205 PolarHBondContact OD1-N 2.9Å
202V93.3Very high95.8Very high24 Ų2441.1 Ų41.115%0.14525%0.246CC..EExtended strand (participates in β ladder)trans-125.1130.4177.4-67.70000109.3C171 V173 V200 G204 G205 K207 A212C171-V202 HydrophobicContact CB-CG1 4.34Å; V173-V202 HydrophobicContact CG1-CG1 4.1Å; V200-V202 HydrophobicContact CG1-CG1 3.79Å; V200-V202 PolarHBondContact O-N 3.38Å; V202-G204 PolarHBondContact O-N 3.25Å; V202-G204 VanDerWaalsContact O-N 3.11Å; V202-G205 PolarHBondContact N-O 3.01Å; V202-G205 PolarHBondContact O-N 3.07Å; V202-G205 VanDerWaalsContact O-O 3.13Å; V202-K207 HydrophobicContact CG2-CB 4.49Å; V202-K207 HydrophobicContact CG2-CD 3.61Å; V202-K207 HydrophobicContact CG2-CG 3.97Å; V202-A212 HydrophobicContact CG1-CB 4.27Å
203A84Confident95.8Very high119 Ų11941.6 Ų41.698%0.98325%0.25SS*.THydrogen-bonded Turntrans51.234.117900000114.2
204G80Confident95.7Very high73 Ų7349.5 Ų49.575%0.75328%0.284SS*.THydrogen-bonded Turntrans834.5178.400000115.4N201 V202N201-G204 WeakPolarHBondContact OD1-CA 3.49Å; N201-G204 PolarHBondContact OD1-N 2.92Å; V202-G204 PolarHBondContact O-N 3.25Å; V202-G204 VanDerWaalsContact O-N 3.11Å
205G91.5Very high95.6Very high32 Ų3252.2 Ų52.233%0.3330%0.299SS..EExtended strand (participates in β ladder)trans-121.9141.9175.200000112.5N201 V202N201-G205 WeakPolarHBondContact CA-O 3.34Å; N201-G205 PolarHBondContact OD1-N 2.9Å; V202-G205 PolarHBondContact N-O 3.01Å; V202-G205 PolarHBondContact O-N 3.07Å; V202-G205 VanDerWaalsContact O-O 3.13Å
206E96.3Very high95.6Very high106 Ų10655.7 Ų55.750%0.49532%0.317SS..EExtended strand (participates in β ladder)trans-83.1127.9175.4-171172.3107.600110.9K179 K199K179-E206 WeakPolarHBondContact CE-OE2 3.17Å; K179-E206 IonicContact NZ-OE1 2.72Å; K179-E206 IonicContact NZ-OE2 2.75Å; K179-E206 PolarHBondContact NZ-OE2 3.4Å; K199-E206 HydrophobicContact CB-CG 3.83Å; K199-E206 HydrophobicContact CD-CG 4.29Å; K199-E206 HydrophobicContact CG-CG 4.31Å
207K97.5Very high95.6Very high87 Ų8757.5 Ų57.538%0.37834%0.339SS..EExtended strand (participates in β ladder)trans-126.7161.7176.3-59.6-170.8-174.5178.30110.6K199 V200 V202 E211 A212K199-K207 CarbonylContact C-O 3.53Å; K199-K207 WeakPolarHBondContact CA-O 3.33Å; V200-K207 PolarHBondContact N-O 2.86Å; V200-K207 PolarHBondContact O-N 2.86Å; V202-K207 HydrophobicContact CG2-CB 4.49Å; V202-K207 HydrophobicContact CG2-CD 3.61Å; V202-K207 HydrophobicContact CG2-CG 3.97Å; K207-E211 HydrophobicContact CB-CB 4.25Å; K207-A212 HydrophobicContact CB-CB 4.46Å
208S97.8Very high95.6Very high23 Ų2357 Ų5716%0.16134%0.336CS..EExtended strand (participates in β ladder)trans-63.7154.9164.266.90000110.6Y210 E211 A212S208-Y210 PolarHBondContact O-N 3.34Å; S208-E211 WeakPolarHBondContact CB-OE2 3.48Å; S208-E211 PolarHBondContact N-OE2 3.07Å; S208-E211 PolarHBondContact O-N 3.36Å; S208-E211 WeakPolarHBondContact OG-CB 3.36Å; S208-E211 WeakPolarHBondContact OG-CG 3.39Å; S208-E211 PolarHBondContact OG-N 3Å; S208-E211 PolarHBondContact OG-OE2 3.29Å; S208-A212 WeakPolarHBondContact O-CB 3.36Å; S208-A212 PolarHBondContact O-N 3.49Å
209A97.6Very high95.6Very high0 Ų057.3 Ų57.30%034%0.337CS..Hα-helixtrans-60.7-34.9175.700000112.6V195 A198 V200 A212 V213V195-A209 HydrophobicContact CB-CB 3.8Å; V195-A209 HydrophobicContact CG2-CB 4.05Å; A198-A209 HydrophobicContact CB-CB 3.92Å; A198-A209 PolarHBondContact O-N 3.42Å; V200-A209 HydrophobicContact CG2-CB 4.07Å; A209-A212 PolarHBondContact O-N 3.23Å; A209-V213 VanDerWaalsContact O-CB 3.3Å; A209-V213 WeakPolarHBondContact O-CB 3.39Å; A209-V213 VanDerWaalsContact O-CG2 3.31Å; A209-V213 WeakPolarHBondContact O-CG2 3.46Å; A209-V213 PolarHBondContact O-N 3.31Å
210Y97.7Very high95.6Very high35 Ų3558.6 Ų58.614%0.13734%0.34CS..Hα-helixtrans-62.1-46.8175.3-84.8-94.1000112.1V195 H196 S208 A212 K214 D216 L219V195-Y210 HydrophobicContact CG2-CD2 4.43Å; V195-Y210 HydrophobicContact CG2-CE2 4.07Å; H196-Y210 HydrophobicContact CB-CE2 4.34Å; H196-Y210 AromaticContact CD2-CE2 3.4Å; H196-Y210 WeakPolarHBondContact CD2-CE2 3.48Å; H196-Y210 AromaticContact CD2-CZ 3.7Å; H196-Y210 AromaticContact CE1-CZ 3.98Å; H196-Y210 PolarHBondContact CE1-OH 3.05Å; H196-Y210 AromaticContact CG-CE2 3.7Å; H196-Y210 AromaticContact NE2-CE2 3.67Å; H196-Y210 AromaticContact NE2-CZ 3.47Å; H196-Y210 PolarHBondContact NE2-OH 3.28Å; S208-Y210 PolarHBondContact O-N 3.34Å; Y210-A212 PolarHBondContact O-N 3.28Å; Y210-K214 WeakPolarHBondContact O-CA 3.16Å; Y210-K214 PolarHBondContact O-N 2.95Å; Y210-D216 HydrophobicContact CE1-CB 4.28Å; Y210-D216 WeakPolarHBondContact CE1-OD2 3.19Å; Y210-L219 HydrophobicContact CD1-CD1 3.6Å; Y210-L219 HydrophobicContact CD2-CD1 4.04Å; Y210-L219 HydrophobicContact CE1-CB 4.35Å; Y210-L219 HydrophobicContact CE1-CD1 3.72Å; Y210-L219 HydrophobicContact CE2-CD1 4.16Å; Y210-L219 HydrophobicContact CG-CD1 3.77Å
211E97.4Very high95.6Very high116 Ų11660.1 Ų60.154%0.54236%0.356SS..Hα-helixtrans-69-32.1177.2-69.6164.6136.200113.4K207 S208 K214K207-E211 HydrophobicContact CB-CB 4.25Å; S208-E211 WeakPolarHBondContact CB-OE2 3.48Å; S208-E211 PolarHBondContact N-OE2 3.07Å; S208-E211 PolarHBondContact O-N 3.36Å; S208-E211 WeakPolarHBondContact OG-CB 3.36Å; S208-E211 WeakPolarHBondContact OG-CG 3.39Å; S208-E211 PolarHBondContact OG-N 3Å; S208-E211 PolarHBondContact OG-OE2 3.29Å; E211-K214 VanDerWaalsContact O-CE 3.31Å; E211-K214 WeakPolarHBondContact O-CE 3.32Å; E211-K214 WeakPolarHBondContact O-CG 3.36Å
212A97.5Very high95.6Very high22 Ų2262.6 Ų62.618%0.18237%0.369CS..Hα-helixtrans-74.1-4417900000111.7V200 V202 K207 S208 A209 Y210V200-A212 HydrophobicContact CB-CB 3.85Å; V200-A212 HydrophobicContact CG1-CB 4.28Å; V200-A212 HydrophobicContact CG2-CB 4.11Å; V202-A212 HydrophobicContact CG1-CB 4.27Å; K207-A212 HydrophobicContact CB-CB 4.46Å; S208-A212 WeakPolarHBondContact O-CB 3.36Å; S208-A212 PolarHBondContact O-N 3.49Å; A209-A212 PolarHBondContact O-N 3.23Å; Y210-A212 PolarHBondContact O-N 3.28Å
213V97.4Very high95.9Very high16 Ų1661.4 Ų61.410%0.09736%0.362CS..Hα-helixtrans-80.6-33.6-177.8172.30000112.4V167 R170 C171 A209 N215 W218 L219V167-V213 HydrophobicContact CG1-CG2 4.38Å; R170-V213 HydrophobicContact CG-CG1 3.79Å; R170-V213 HydrophobicContact CG-CG2 4.22Å; C171-V213 VanDerWaalsContact SG-CG2 3.56Å; A209-V213 VanDerWaalsContact O-CB 3.3Å; A209-V213 WeakPolarHBondContact O-CB 3.39Å; A209-V213 VanDerWaalsContact O-CG2 3.31Å; A209-V213 WeakPolarHBondContact O-CG2 3.46Å; A209-V213 PolarHBondContact O-N 3.31Å; V213-N215 VanDerWaalsContact C-N 3.25Å; V213-N215 HydrophobicContact CG1-CB 4.07Å; V213-N215 PolarHBondContact O-N 2.88Å; V213-W218 HydrophobicContact CG1-CE3 3.79Å; V213-W218 HydrophobicContact CG1-CZ3 4.08Å; V213-L219 HydrophobicContact CB-CD1 4.28Å; V213-L219 HydrophobicContact CG1-CD1 4.35Å; V213-L219 HydrophobicContact CG1-CD2 4.25Å; V213-L219 HydrophobicContact CG1-CG 4.11Å; V213-L219 HydrophobicContact CG2-CD2 4.36Å
214K96.6Very high96.6Very high167 Ų16756.1 Ų56.173%0.72632%0.317SS*.  trans52.938.6-179.5-53.4-174.5-179.8-176.40113.9Y210 E211Y210-K214 WeakPolarHBondContact O-CA 3.16Å; Y210-K214 PolarHBondContact O-N 2.95Å; E211-K214 VanDerWaalsContact O-CE 3.31Å; E211-K214 WeakPolarHBondContact O-CE 3.32Å; E211-K214 WeakPolarHBondContact O-CG 3.36Å
215N97.7Very high97.5Very high57 Ų5755.5 Ų55.531%0.30530%0.301SS..  trans-155.182.6-179.6-166.9-33.2000111.7R170 V213 A217 W218 L219R170-N215 PolarHBondContact NH2-ND2 3.25Å; V213-N215 VanDerWaalsContact C-N 3.25Å; V213-N215 HydrophobicContact CG1-CB 4.07Å; V213-N215 PolarHBondContact O-N 2.88Å; N215-A217 VanDerWaalsContact C-N 3.31Å; N215-A217 PolarHBondContact O-N 3Å; N215-W218 HydrophobicContact CB-CB 4.1Å; N215-W218 PolarHBondContact O-N 3.24Å; N215-W218 VanDerWaalsContact OD1-CB 3.32Å; N215-W218 WeakPolarHBondContact OD1-CB 3.24Å; N215-W218 PolarHBondContact OD1-N 3.04Å; N215-L219 PolarHBondContact O-N 3.19Å; N215-L219 VanDerWaalsContact O-N 3.1Å
216D97.3Very high97.8Very high78 Ų7856.2 Ų56.242%0.41730%0.299SS..Hα-helixtrans-59.7-37.9-179.9-71.244.8000113.1Y210 W218 L219 R220Y210-D216 HydrophobicContact CE1-CB 4.28Å; Y210-D216 WeakPolarHBondContact CE1-OD2 3.19Å; D216-W218 VanDerWaalsContact C-N 3.33Å; D216-W218 PolarHBondContact O-N 2.68Å; D216-L219 PolarHBondContact O-N 3.07Å; D216-R220 WeakPolarHBondContact O-CB 3.44Å; D216-R220 WeakPolarHBondContact O-CG 3.42Å; D216-R220 PolarHBondContact O-N 3.48Å
217A98.1Very high97.9Very high79 Ų7951.2 Ų51.265%0.65328%0.276SS*.Hα-helixtrans-62.4-42.317900000111.4N215 G221N215-A217 VanDerWaalsContact C-N 3.31Å; N215-A217 PolarHBondContact O-N 3Å; A217-G221 PolarHBondContact O-N 2.92Å
218W98.6Very high97.9Very high28 Ų2849.2 Ų49.211%0.10627%0.268CS..Hα-helixtrans-65.7-44.7174.7-178.681.7000111.5Q166 R170 V213 N215 D216 R220 G221 D222 F223Q166-W218 HydrophobicContact CB-CH2 4.4Å; R170-W218 HydrophobicContact CB-CH2 3.84Å; R170-W218 HydrophobicContact CB-CZ2 4.4Å; R170-W218 HydrophobicContact CB-CZ3 4.09Å; R170-W218 HydrophobicContact CG-CE3 4.15Å; R170-W218 HydrophobicContact CG-CH2 3.96Å; R170-W218 HydrophobicContact CG-CZ2 4.36Å; R170-W218 HydrophobicContact CG-CZ3 3.84Å; V213-W218 HydrophobicContact CG1-CE3 3.79Å; V213-W218 HydrophobicContact CG1-CZ3 4.08Å; N215-W218 HydrophobicContact CB-CB 4.1Å; N215-W218 PolarHBondContact O-N 3.24Å; N215-W218 VanDerWaalsContact OD1-CB 3.32Å; N215-W218 WeakPolarHBondContact OD1-CB 3.24Å; N215-W218 PolarHBondContact OD1-N 3.04Å; D216-W218 VanDerWaalsContact C-N 3.33Å; D216-W218 PolarHBondContact O-N 2.68Å; W218-R220 VanDerWaalsContact C-N 3.31Å; W218-R220 PolarHBondContact O-N 3.41Å; W218-G221 CarbonylContact O-C 3.46Å; W218-G221 PolarHBondContact O-N 2.95Å; W218-D222 HydrophobicContact CG-CB 4.42Å; W218-D222 PolarHBondContact O-N 3.12Å; W218-F223 HydrophobicContact CD2-CB 4.09Å; W218-F223 HydrophobicContact CE3-CB 3.93Å; W218-F223 HydrophobicContact CH2-CB 3.91Å; W218-F223 AromaticContact CH2-CD2 3.64Å; W218-F223 HydrophobicContact CH2-CD2 3.64Å; W218-F223 HydrophobicContact CH2-CG 4.13Å; W218-F223 HydrophobicContact CZ2-CB 4.03Å; W218-F223 HydrophobicContact CZ2-CD2 4.29Å; W218-F223 HydrophobicContact CZ3-CB 3.85Å; W218-F223 AromaticContact CZ3-CD2 3.97Å; W218-F223 HydrophobicContact CZ3-CD2 3.97Å; W218-F223 HydrophobicContact CZ3-CG 4.11Å; W218-F223 VanDerWaalsContact O-CB 3.24Å; W218-F223 WeakPolarHBondContact O-CB 3.22Å; W218-F223 PolarHBondContact O-N 3.49Å
219L98.3Very high97.8Very high5 Ų552.7 Ų52.73%0.02628%0.281CS..Hα-helixtrans-61.6-36179-73.3177.1000113V195 Y210 V213 N215 D216 F223V195-L219 HydrophobicContact CG2-CD1 4.21Å; V195-L219 HydrophobicContact CG2-CD2 3.69Å; V195-L219 HydrophobicContact CG2-CG 4.42Å; Y210-L219 HydrophobicContact CD1-CD1 3.6Å; Y210-L219 HydrophobicContact CD2-CD1 4.04Å; Y210-L219 HydrophobicContact CE1-CB 4.35Å; Y210-L219 HydrophobicContact CE1-CD1 3.72Å; Y210-L219 HydrophobicContact CE2-CD1 4.16Å; Y210-L219 HydrophobicContact CG-CD1 3.77Å; V213-L219 HydrophobicContact CB-CD1 4.28Å; V213-L219 HydrophobicContact CG1-CD1 4.35Å; V213-L219 HydrophobicContact CG1-CD2 4.25Å; V213-L219 HydrophobicContact CG1-CG 4.11Å; V213-L219 HydrophobicContact CG2-CD2 4.36Å; N215-L219 PolarHBondContact O-N 3.19Å; N215-L219 VanDerWaalsContact O-N 3.1Å; D216-L219 PolarHBondContact O-N 3.07Å; L219-F223 HydrophobicContact CD2-CD1 4.45Å; L219-F223 HydrophobicContact CD2-CG 4.44Å; L219-F223 WeakPolarHBondContact O-CD1 3.49Å
220R97.6Very high97.8Very high108 Ų10857.6 Ų57.641%0.40830%0.3SS..Hα-helixtrans-90.2-7.7179.8-65.3179.7-179.2-176.70.9114.2D216 W218 F308D216-R220 WeakPolarHBondContact O-CB 3.44Å; D216-R220 WeakPolarHBondContact O-CG 3.42Å; D216-R220 PolarHBondContact O-N 3.48Å; W218-R220 VanDerWaalsContact C-N 3.31Å; W218-R220 PolarHBondContact O-N 3.41Å; R220-F308 HydrophobicContact CB-CE1 4.28Å; R220-F308 HydrophobicContact CB-CE2 4.07Å; R220-F308 HydrophobicContact CB-CZ 3.75Å; R220-F308 HydrophobicContact CG-CD1 4.39Å; R220-F308 HydrophobicContact CG-CE1 4.01Å; R220-F308 HydrophobicContact CG-CE2 4.29Å; R220-F308 HydrophobicContact CG-CZ 3.95Å
221G98.1Very high97.5Very high32 Ų3256.8 Ų56.833%0.3330%0.302SS..THydrogen-bonded Turntrans-124.3-96.4-176.100000112.3A217 W218 F223 I224 S225A217-G221 PolarHBondContact O-N 2.92Å; W218-G221 CarbonylContact O-C 3.46Å; W218-G221 PolarHBondContact O-N 2.95Å; G221-F223 VanDerWaalsContact C-N 3.27Å; G221-F223 PolarHBondContact O-N 2.84Å; G221-I224 PolarHBondContact O-N 3.01Å; G221-I224 VanDerWaalsContact O-N 3.11Å; G221-S225 PolarHBondContact O-N 2.92Å
222D98.4Very high97.3Very high107 Ų10753.9 Ų53.957%0.57230%0.298SS*.Hα-helixtrans-56.7-36-172.2-72.3-11000113.8W218 T226W218-D222 HydrophobicContact CG-CB 4.42Å; W218-D222 PolarHBondContact O-N 3.12Å; D222-T226 WeakPolarHBondContact O-CB 3.46Å; D222-T226 PolarHBondContact O-N 3.02Å; D222-T226 PolarHBondContact O-OG1 2.96Å
223F98.8Very high97.2Very high0 Ų055.1 Ų55.10%031%0.308CS..Hα-helixtrans-58.9-52.9175.6168.3-110.5000111.4A163 Q166 V167 P193 V195 W218 L219 G221 S225 T226 V227A163-F223 HydrophobicContact CB-CE2 4.26Å; A163-F223 HydrophobicContact CB-CZ 3.92Å; Q166-F223 HydrophobicContact CB-CD2 3.86Å; Q166-F223 HydrophobicContact CB-CE2 3.83Å; V167-F223 HydrophobicContact CG2-CE2 3.76Å; V167-F223 HydrophobicContact CG2-CZ 4.05Å; P193-F223 HydrophobicContact CB-CE1 3.78Å; P193-F223 HydrophobicContact CB-CZ 4.04Å; P193-F223 WeakPolarHBondContact O-CE1 3.43Å; V195-F223 HydrophobicContact CG1-CE1 3.65Å; V195-F223 HydrophobicContact CG1-CZ 3.53Å; W218-F223 HydrophobicContact CD2-CB 4.09Å; W218-F223 HydrophobicContact CE3-CB 3.93Å; W218-F223 HydrophobicContact CH2-CB 3.91Å; W218-F223 AromaticContact CH2-CD2 3.64Å; W218-F223 HydrophobicContact CH2-CD2 3.64Å; W218-F223 HydrophobicContact CH2-CG 4.13Å; W218-F223 HydrophobicContact CZ2-CB 4.03Å; W218-F223 HydrophobicContact CZ2-CD2 4.29Å; W218-F223 HydrophobicContact CZ3-CB 3.85Å; W218-F223 AromaticContact CZ3-CD2 3.97Å; W218-F223 HydrophobicContact CZ3-CD2 3.97Å; W218-F223 HydrophobicContact CZ3-CG 4.11Å; W218-F223 VanDerWaalsContact O-CB 3.24Å; W218-F223 WeakPolarHBondContact O-CB 3.22Å; W218-F223 PolarHBondContact O-N 3.49Å; L219-F223 HydrophobicContact CD2-CD1 4.45Å; L219-F223 HydrophobicContact CD2-CG 4.44Å; L219-F223 WeakPolarHBondContact O-CD1 3.49Å; G221-F223 VanDerWaalsContact C-N 3.27Å; G221-F223 PolarHBondContact O-N 2.84Å; F223-S225 PolarHBondContact O-N 2.97Å; F223-T226 PolarHBondContact O-N 2.91Å; F223-V227 HydrophobicContact CD2-CG2 4.34Å; F223-V227 HydrophobicContact CE2-CG2 4.03Å; F223-V227 HydrophobicContact CZ-CG2 4.39Å; F223-V227 WeakPolarHBondContact O-CG2 3.43Å; F223-V227 PolarHBondContact O-N 3.3Å; F223-V227 VanDerWaalsContact O-N 3.08Å
224I98.7Very high97.1Very high8 Ų855.7 Ų55.74%0.04131%0.312CS..Hα-helixtrans-59.8-50.7179.9-66.8177.3000109.8Y192 G221 T226 V227 Q228 F308Y192-I224 HydrophobicContact CD2-CD1 4.16Å; Y192-I224 HydrophobicContact CE2-CD1 4.03Å; G221-I224 PolarHBondContact O-N 3.01Å; G221-I224 VanDerWaalsContact O-N 3.11Å; I224-T226 VanDerWaalsContact C-N 3.33Å; I224-T226 PolarHBondContact O-N 2.83Å; I224-V227 PolarHBondContact O-N 2.85Å; I224-Q228 HydrophobicContact CG2-CG 4.3Å; I224-Q228 VanDerWaalsContact CG2-NE2 3.32Å; I224-Q228 WeakPolarHBondContact O-CB 3.33Å; I224-Q228 VanDerWaalsContact O-CG 3.29Å; I224-Q228 WeakPolarHBondContact O-CG 2.9Å; I224-Q228 PolarHBondContact O-N 3.49Å; I224-F308 HydrophobicContact CD1-CE1 3.92Å; I224-F308 HydrophobicContact CD1-CZ 3.82Å
225S98.3Very high96.9Very high59 Ų5952.1 Ų52.141%0.41330%0.3SS..Hα-helixtrans-59.2-43.3179.4-178.70000111.9G221 F223 V227 Q228 Q229G221-S225 PolarHBondContact O-N 2.92Å; F223-S225 PolarHBondContact O-N 2.97Å; S225-V227 PolarHBondContact O-N 2.92Å; S225-Q228 PolarHBondContact O-N 2.84Å; S225-Q229 WeakPolarHBondContact O-CB 3.43Å; S225-Q229 VanDerWaalsContact O-CG 3.31Å; S225-Q229 WeakPolarHBondContact O-CG 3.28Å; S225-Q229 PolarHBondContact O-N 2.8Å
226T98.6Very high96.7Very high48 Ų4857.3 Ų57.329%0.29432%0.32SS..Hα-helixtrans-61.7-43.1179.4-63.90000111.9Q166 D222 F223 I224 R230Q166-T226 HydrophobicContact CG-CG2 4.1Å; D222-T226 WeakPolarHBondContact O-CB 3.46Å; D222-T226 PolarHBondContact O-N 3.02Å; D222-T226 PolarHBondContact O-OG1 2.96Å; F223-T226 PolarHBondContact O-N 2.91Å; I224-T226 VanDerWaalsContact C-N 3.33Å; I224-T226 PolarHBondContact O-N 2.83Å; T226-R230 WeakPolarHBondContact O-CB 3.31Å; T226-R230 PolarHBondContact O-N 3.17Å; T226-R230 VanDerWaalsContact O-N 3.1Å
227V98.6Very high96.6Very high0 Ų057.6 Ų57.60%033%0.332CS..Hα-helixtrans-68.4-49178.6176.30000110.4D159 R162 A163 Q166 P193 F223 I224 S225 Q229 R230D159-V227 HydrophobicContact CB-CG1 4.34Å; R162-V227 HydrophobicContact CB-CG1 4.47Å; A163-V227 HydrophobicContact CB-CG1 4.35Å; A163-V227 HydrophobicContact CB-CG2 4.01Å; Q166-V227 HydrophobicContact CG-CG2 4.13Å; P193-V227 HydrophobicContact CB-CB 4.29Å; P193-V227 HydrophobicContact CB-CG1 4.16Å; P193-V227 HydrophobicContact CB-CG2 4.38Å; P193-V227 HydrophobicContact CG-CB 3.71Å; P193-V227 HydrophobicContact CG-CG1 3.63Å; P193-V227 HydrophobicContact CG-CG2 4.3Å; F223-V227 HydrophobicContact CD2-CG2 4.34Å; F223-V227 HydrophobicContact CE2-CG2 4.03Å; F223-V227 HydrophobicContact CZ-CG2 4.39Å; F223-V227 WeakPolarHBondContact O-CG2 3.43Å; F223-V227 PolarHBondContact O-N 3.3Å; F223-V227 VanDerWaalsContact O-N 3.08Å; I224-V227 PolarHBondContact O-N 2.85Å; S225-V227 PolarHBondContact O-N 2.92Å; V227-Q229 VanDerWaalsContact C-N 3.3Å; V227-Q229 PolarHBondContact O-N 2.96Å; V227-R230 WeakPolarHBondContact O-CB 3.36Å; V227-R230 PolarHBondContact O-N 3.01Å; V227-R230 VanDerWaalsContact O-N 3.14Å
228Q97.5Very high96.5Very high46 Ų4659.4 Ų59.422%0.21532%0.323CS..Hα-helixtrans-56-42.1178-74.2172.4-13.600112.4S189 Q191 I224 S225S189-Q228 PolarHBondContact O-NE2 3.21Å; S189-Q228 VanDerWaalsContact O-NE2 3.09Å; S189-Q228 PolarHBondContact O-OE1 3.11Å; Q191-Q228 HydrophobicContact CG-CG 3.75Å; Q191-Q228 PolarHBondContact O-NE2 3.37Å; I224-Q228 HydrophobicContact CG2-CG 4.3Å; I224-Q228 VanDerWaalsContact CG2-NE2 3.32Å; I224-Q228 WeakPolarHBondContact O-CB 3.33Å; I224-Q228 VanDerWaalsContact O-CG 3.29Å; I224-Q228 WeakPolarHBondContact O-CG 2.9Å; I224-Q228 PolarHBondContact O-N 3.49Å; S225-Q228 PolarHBondContact O-N 2.84Å
229Q95.8Very high96.2Very high95 Ų9566 Ų6644%0.44435%0.352SS..THydrogen-bonded Turntrans-90.30.7-177-59.8-56.9-38.900113.7S225 V227 G231 A232 A233S225-Q229 WeakPolarHBondContact O-CB 3.43Å; S225-Q229 VanDerWaalsContact O-CG 3.31Å; S225-Q229 WeakPolarHBondContact O-CG 3.28Å; S225-Q229 PolarHBondContact O-N 2.8Å; V227-Q229 VanDerWaalsContact C-N 3.3Å; V227-Q229 PolarHBondContact O-N 2.96Å; Q229-G231 VanDerWaalsContact C-N 3.31Å; Q229-G231 PolarHBondContact O-N 2.75Å; Q229-A232 PolarHBondContact O-N 3.19Å; Q229-A233 PolarHBondContact O-N 2.99Å
230R96.9Very high95.8Very high104 Ų10469.9 Ų69.939%0.39237%0.372SS..Hα-helixtrans-63-37-171.4-168.159176.1178.31.1113R162 T226 V227 A233 V234R162-R230 HydrophobicContact CG-CB 4.47Å; R162-R230 HydrophobicContact CG-CG 3.95Å; T226-R230 WeakPolarHBondContact O-CB 3.31Å; T226-R230 PolarHBondContact O-N 3.17Å; T226-R230 VanDerWaalsContact O-N 3.1Å; V227-R230 WeakPolarHBondContact O-CB 3.36Å; V227-R230 PolarHBondContact O-N 3.01Å; V227-R230 VanDerWaalsContact O-N 3.14Å; R230-A233 PolarHBondContact O-N 3.43Å; R230-V234 WeakPolarHBondContact O-CG2 3.31Å; R230-V234 PolarHBondContact O-N 3.33Å
231G92.4Very high95.3Very high18 Ų1867 Ų6719%0.18637%0.369CS..Hα-helixtrans-60.2-49.4175.900000112.1Q229 A233 V234 I235Q229-G231 VanDerWaalsContact C-N 3.31Å; Q229-G231 PolarHBondContact O-N 2.75Å; G231-A233 VanDerWaalsContact C-N 3.35Å; G231-A233 PolarHBondContact O-N 2.62Å; G231-V234 PolarHBondContact O-N 3Å; G231-I235 WeakPolarHBondContact O-CG1 3.36Å; G231-I235 PolarHBondContact O-N 2.76Å
232A92.2Very high95Very high55 Ų5566.4 Ų66.446%0.45536%0.359SS..Hα-helixtrans-62.5-40.8177.500000112Q229 V234 I235 K236Q229-A232 PolarHBondContact O-N 3.19Å; A232-V234 PolarHBondContact O-N 3.04Å; A232-I235 PolarHBondContact O-N 3.38Å; A232-K236 WeakPolarHBondContact O-CB 3.24Å; A232-K236 PolarHBondContact O-N 3.19Å
233A95.9Very high94.9Very high48 Ų4861.4 Ų61.440%0.39733%0.333SS..Hα-helixtrans-61.1-42.4176.200000112.4Q229 R230 G231 K236 A237Q229-A233 PolarHBondContact O-N 2.99Å; R230-A233 PolarHBondContact O-N 3.43Å; G231-A233 VanDerWaalsContact C-N 3.35Å; G231-A233 PolarHBondContact O-N 2.62Å; A233-K236 PolarHBondContact O-N 3.33Å; A233-A237 WeakPolarHBondContact O-CB 3.31Å; A233-A237 PolarHBondContact O-N 3.31Å; A233-A237 VanDerWaalsContact O-N 3.11Å
234V95.1Very high94.9Very high28 Ų2868.3 Ų68.317%0.1737%0.367CS..Hα-helixtrans-65.7-43.8176.4173.70000111.3R230 G231 A232 K236 A237 R238R230-V234 WeakPolarHBondContact O-CG2 3.31Å; R230-V234 PolarHBondContact O-N 3.33Å; G231-V234 PolarHBondContact O-N 3Å; A232-V234 PolarHBondContact O-N 3.04Å; V234-K236 VanDerWaalsContact C-N 3.35Å; V234-K236 PolarHBondContact O-N 2.9Å; V234-A237 PolarHBondContact O-N 3.35Å; V234-R238 HydrophobicContact CG1-CG 4.16Å; V234-R238 WeakPolarHBondContact O-CB 3.46Å; V234-R238 PolarHBondContact O-N 3.12Å
235I91.6Very high94.9Very high92 Ų9270 Ų7047%0.47238%0.38SS..Hα-helixtrans-61.1-45.1177.2-69.5166.3000110.7G231 A232 A237 K239G231-I235 WeakPolarHBondContact O-CG1 3.36Å; G231-I235 PolarHBondContact O-N 2.76Å; A232-I235 PolarHBondContact O-N 3.38Å; I235-A237 VanDerWaalsContact C-N 3.29Å; I235-A237 PolarHBondContact O-N 3.5Å; I235-K239 VanDerWaalsContact O-CA 3.24Å; I235-K239 WeakPolarHBondContact O-CA 3.46Å; I235-K239 PolarHBondContact O-N 3.21Å
236K93.8Very high94.9Very high166 Ų16667.5 Ų67.572%0.72236%0.362SS*.Hα-helixtrans-58-42.6178.3-176.1178.4179.4179.60111.9A232 A233 V234 K239A232-K236 WeakPolarHBondContact O-CB 3.24Å; A232-K236 PolarHBondContact O-N 3.19Å; A233-K236 PolarHBondContact O-N 3.33Å; V234-K236 VanDerWaalsContact C-N 3.35Å; V234-K236 PolarHBondContact O-N 2.9Å; K236-K239 WeakPolarHBondContact O-CE 3.27Å; K236-K239 PolarHBondContact O-NZ 3.11Å
237A96.6Very high94.9Very high83 Ų8365.3 Ų65.369%0.68635%0.349SS*.Hα-helixtrans-76.7-49-178.200000113.2A233 V234 I235A233-A237 WeakPolarHBondContact O-CB 3.31Å; A233-A237 PolarHBondContact O-N 3.31Å; A233-A237 VanDerWaalsContact O-N 3.11Å; V234-A237 PolarHBondContact O-N 3.35Å; I235-A237 VanDerWaalsContact C-N 3.29Å; I235-A237 PolarHBondContact O-N 3.5Å
238R95.1Very high94.9Very high118 Ų11870.6 Ų70.645%0.44537%0.372SS..Hα-helixtrans-84.1-18.3-175.1-68.8-169.370.4-149.65.1114.3V234 L240 S241V234-R238 HydrophobicContact CG1-CG 4.16Å; V234-R238 WeakPolarHBondContact O-CB 3.46Å; V234-R238 PolarHBondContact O-N 3.12Å; R238-L240 HydrophobicContact CB-CB 4.38Å; R238-L240 PolarHBondContact O-N 3.08Å; R238-S241 PolarHBondContact NH1-O 2.93Å
239K92.3Very high95Very high167 Ų16768.4 Ų68.473%0.72636%0.362SS*.SBendtrans58.99.7-165.9-49.6-61.5179178.80114I235 K236I235-K239 VanDerWaalsContact O-CA 3.24Å; I235-K239 WeakPolarHBondContact O-CA 3.46Å; I235-K239 PolarHBondContact O-N 3.21Å; K236-K239 WeakPolarHBondContact O-CE 3.27Å; K236-K239 PolarHBondContact O-NZ 3.11Å
240L89.3Confident95.1Very high85 Ų8563.9 Ų63.945%0.44534%0.341SS..SBendtrans-135.1161.4-179.2-66.9174.1000108.9R238R238-L240 HydrophobicContact CB-CB 4.38Å; R238-L240 PolarHBondContact O-N 3.08Å
241S88.1Confident95.2Very high49 Ų4959.2 Ų59.234%0.34332%0.324SS..  trans-62.4164.2175.468.30000112.1R238 A243R238-S241 PolarHBondContact NH1-O 2.93Å; S241-A243 PolarHBondContact O-N 3.42Å
242S92.3Very high95.5Very high18 Ų1858.6 Ų58.613%0.12632%0.316CS..  trans-79.348.1179.963.40000112.9R162 M244 S245 A246R162-S242 PolarHBondContact NH2-OG 3.47Å; S242-M244 PolarHBondContact O-N 3.27Å; S242-S245 WeakPolarHBondContact CB-OG 3.48Å; S242-S245 PolarHBondContact O-N 3.12Å; S242-S245 PolarHBondContact O-OG 2.9Å; S242-A246 WeakPolarHBondContact O-CB 3.42Å; S242-A246 PolarHBondContact O-N 3.37Å
243A95.7Very high95.9Very high2 Ų256 Ų562%0.01730%0.295CS..Hα-helixtrans-52.3-56.3-168.500000114.2Q15 I16 S241 S245 A246 A247Q15-A243 HydrophobicContact CB-CB 3.94Å; I16-A243 HydrophobicContact CG1-CB 4.36Å; S241-A243 PolarHBondContact O-N 3.42Å; A243-S245 PolarHBondContact O-N 3.38Å; A243-A246 PolarHBondContact O-N 2.97Å; A243-A247 WeakPolarHBondContact O-CB 3.41Å; A243-A247 PolarHBondContact O-N 3.01Å
244M98.2Very high96Very high146 Ų14653.7 Ų53.772%0.71928%0.276SS*.Hα-helixtrans-56.1-50.1-179-178.6-175.372.300112.5S242 A246 A247 K248S242-M244 PolarHBondContact O-N 3.27Å; M244-A246 VanDerWaalsContact C-N 3.35Å; M244-A246 PolarHBondContact O-N 2.95Å; M244-A247 PolarHBondContact O-N 2.88Å; M244-K248 PolarHBondContact O-N 2.89Å
245S98.6Very high96.2Very high44 Ų4455.9 Ų55.931%0.30828%0.281SS..Hα-helixtrans-68-34.6-179.952.10000112.7L158 S242 A243 A249L158-S245 WeakPolarHBondContact CD1-O 3.42Å; S242-S245 WeakPolarHBondContact CB-OG 3.48Å; S242-S245 PolarHBondContact O-N 3.12Å; S242-S245 PolarHBondContact O-OG 2.9Å; A243-S245 PolarHBondContact O-N 3.38Å; S245-A249 WeakPolarHBondContact O-CB 3.25Å; S245-A249 PolarHBondContact O-N 3.21Å
246A98.5Very high96.5Very high5 Ų552.6 Ų52.64%0.04126%0.264CS..Hα-helixtrans-68.2-46.1176.100000111.1I16 L158 S242 A243 M244 K248 A249 I250I16-A246 HydrophobicContact CD1-CB 4.25Å; I16-A246 HydrophobicContact CG1-CB 4.25Å; I16-A246 HydrophobicContact CG2-CB 4.43Å; L158-A246 HydrophobicContact CD2-CB 4.05Å; S242-A246 WeakPolarHBondContact O-CB 3.42Å; S242-A246 PolarHBondContact O-N 3.37Å; A243-A246 PolarHBondContact O-N 2.97Å; M244-A246 VanDerWaalsContact C-N 3.35Å; M244-A246 PolarHBondContact O-N 2.95Å; A246-K248 VanDerWaalsContact C-N 3.32Å; A246-K248 PolarHBondContact O-N 3.19Å; A246-A249 WeakPolarHBondContact O-CB 3.46Å; A246-A249 PolarHBondContact O-N 3.35Å; A246-A249 VanDerWaalsContact O-N 3.1Å; A246-I250 VanDerWaalsContact O-CG1 3.31Å; A246-I250 WeakPolarHBondContact O-CG1 3.49Å; A246-I250 PolarHBondContact O-N 3.48Å
247A98.8Very high96.7Very high3 Ų345.1 Ų45.13%0.02523%0.232CC..Hα-helixtrans-57.5-43.6174.700000111.9L20 A243 M244 A249 I250 C251L20-A247 HydrophobicContact CB-CB 3.87Å; A243-A247 WeakPolarHBondContact O-CB 3.41Å; A243-A247 PolarHBondContact O-N 3.01Å; M244-A247 PolarHBondContact O-N 2.88Å; A247-A249 PolarHBondContact O-N 2.83Å; A247-I250 PolarHBondContact O-N 2.93Å; A247-C251 PolarHBondContact O-N 3.39Å; A247-C251 PolarHBondContact O-SG 3.41Å
248K98.8Very high96.8Very high111 Ų11142.8 Ų42.848%0.48321%0.206SC..Hα-helixtrans-60-45.1173.9-166.4-83.7-179.5-172.40111.6M244 A246 I250 C251 D252M244-K248 PolarHBondContact O-N 2.89Å; A246-K248 VanDerWaalsContact C-N 3.32Å; A246-K248 PolarHBondContact O-N 3.19Å; K248-I250 PolarHBondContact O-N 2.98Å; K248-C251 WeakPolarHBondContact O-CB 3.41Å; K248-C251 PolarHBondContact O-N 3.45Å; K248-D252 VanDerWaalsContact CD-OD2 3.23Å; K248-D252 WeakPolarHBondContact CD-OD2 3.21Å; K248-D252 WeakPolarHBondContact CE-OD1 3.24Å; K248-D252 WeakPolarHBondContact CE-OD2 3.16Å; K248-D252 VanDerWaalsContact NZ-CG 3.26Å; K248-D252 IonicContact NZ-OD1 3.34Å; K248-D252 PolarHBondContact NZ-OD1 3.42Å; K248-D252 VanDerWaalsContact NZ-OD1 3.17Å; K248-D252 IonicContact NZ-OD2 3.55Å; K248-D252 PolarHBondContact NZ-OD2 3.01Å; K248-D252 VanDerWaalsContact O-CG 3.27Å; K248-D252 PolarHBondContact O-N 2.97Å
249A98.9Very high97Very high0 Ų043 Ų430%021%0.21CC..Hα-helixtrans-65.2-37.1178.200000113.1L155 R157 L158 S245 A246 A247 D252 H253L155-A249 HydrophobicContact CD2-CB 4.48Å; R157-A249 HydrophobicContact CB-CB 4.33Å; R157-A249 HydrophobicContact CG-CB 4.26Å; R157-A249 WeakPolarHBondContact CG-O 3.35Å; L158-A249 VanDerWaalsContact CA-CB 3.49Å; L158-A249 HydrophobicContact CB-CB 3.72Å; L158-A249 HydrophobicContact CD1-CB 4.21Å; S245-A249 WeakPolarHBondContact O-CB 3.25Å; S245-A249 PolarHBondContact O-N 3.21Å; A246-A249 WeakPolarHBondContact O-CB 3.46Å; A246-A249 PolarHBondContact O-N 3.35Å; A246-A249 VanDerWaalsContact O-N 3.1Å; A247-A249 PolarHBondContact O-N 2.83Å; A249-D252 PolarHBondContact O-N 3.06Å; A249-H253 WeakPolarHBondContact O-CB 3.47Å; A249-H253 PolarHBondContact O-N 2.97Å
250I98.9Very high97.3Very high0 Ų035.9 Ų35.90%018%0.184CC..Hα-helixtrans-61.6-45.6171.8-68.1164.9000110.2I16 L20 I85 V87 L127 V129 L155 A246 A247 K248 D252 H253 M254I16-I250 HydrophobicContact CG2-CD1 3.62Å; L20-I250 HydrophobicContact CD1-CB 4.12Å; L20-I250 HydrophobicContact CD1-CG2 3.73Å; L20-I250 HydrophobicContact CD2-CD1 4.14Å; L20-I250 HydrophobicContact CD2-CG2 3.79Å; L20-I250 HydrophobicContact CG-CG2 4.43Å; I85-I250 HydrophobicContact CD1-CG2 4.06Å; I85-I250 HydrophobicContact CG2-CG2 3.79Å; V87-I250 HydrophobicContact CG2-CD1 4.46Å; L127-I250 HydrophobicContact CD2-CB 4.45Å; L127-I250 HydrophobicContact CD2-CG1 4.49Å; L127-I250 HydrophobicContact CD2-CG2 3.9Å; V129-I250 HydrophobicContact CG1-CD1 4.1Å; V129-I250 HydrophobicContact CG2-CD1 3.83Å; V129-I250 HydrophobicContact CG2-CG1 3.87Å; L155-I250 HydrophobicContact CD1-CG1 4.23Å; L155-I250 HydrophobicContact CD2-CG1 3.69Å; A246-I250 VanDerWaalsContact O-CG1 3.31Å; A246-I250 WeakPolarHBondContact O-CG1 3.49Å; A246-I250 PolarHBondContact O-N 3.48Å; A247-I250 PolarHBondContact O-N 2.93Å; K248-I250 PolarHBondContact O-N 2.98Å; I250-D252 VanDerWaalsContact C-N 3.34Å; I250-D252 PolarHBondContact O-N 3.09Å; I250-H253 PolarHBondContact O-N 2.75Å; I250-M254 HydrophobicContact CG2-CG 4.49Å; I250-M254 PolarHBondContact O-N 3.34Å
251C98.9Very high97.7Very high5 Ų533.2 Ų33.23%0.03417%0.171CC..Hα-helixtrans-57.5-48.2176.5-67.10000111.1L20 S23 V29 A247 K248 R255L20-C251 VanDerWaalsContact CD1-SG 3.53Å; S23-C251 VanDerWaalsContact CB-SG 3.53Å; V29-C251 HydrophobicContact CG2-CB 3.84Å; A247-C251 PolarHBondContact O-N 3.39Å; A247-C251 PolarHBondContact O-SG 3.41Å; K248-C251 WeakPolarHBondContact O-CB 3.41Å; K248-C251 PolarHBondContact O-N 3.45Å; C251-R255 WeakPolarHBondContact O-CB 3.16Å; C251-R255 PolarHBondContact O-N 2.66Å
252D98.9Very high98.1Very high6 Ų637.7 Ų37.73%0.03218%0.184CC..Hα-helixtrans-63.9-43.2179.2-58.3-29.5000112.4R157 N161 K248 A249 I250 R255 D256R157-D252 HydrophobicContact CG-CB 4.1Å; R157-D252 VanDerWaalsContact CZ-CB 3.41Å; R157-D252 PolarHBondContact NH1-O 3.47Å; N161-D252 PolarHBondContact ND2-OD2 2.59Å; K248-D252 VanDerWaalsContact CD-OD2 3.23Å; K248-D252 WeakPolarHBondContact CD-OD2 3.21Å; K248-D252 WeakPolarHBondContact CE-OD1 3.24Å; K248-D252 WeakPolarHBondContact CE-OD2 3.16Å; K248-D252 VanDerWaalsContact NZ-CG 3.26Å; K248-D252 IonicContact NZ-OD1 3.34Å; K248-D252 PolarHBondContact NZ-OD1 3.42Å; K248-D252 VanDerWaalsContact NZ-OD1 3.17Å; K248-D252 IonicContact NZ-OD2 3.55Å; K248-D252 PolarHBondContact NZ-OD2 3.01Å; K248-D252 VanDerWaalsContact O-CG 3.27Å; K248-D252 PolarHBondContact O-N 2.97Å; A249-D252 PolarHBondContact O-N 3.06Å; I250-D252 VanDerWaalsContact C-N 3.34Å; I250-D252 PolarHBondContact O-N 3.09Å; D252-R255 PolarHBondContact O-N 2.75Å; D252-R255 IonicContact OD1-NH1 2.65Å; D252-R255 PolarHBondContact OD1-NH1 3.41Å; D252-D256 WeakPolarHBondContact O-CB 3.49Å; D252-D256 PolarHBondContact O-N 3.03Å
253H98.9Very high98.1Very high0 Ų046.1 Ų46.10%022%0.222CC..Hα-helixtrans-59.6-51.4179-174.2119.2000111.2L127 S153 L155 R157 A249 I250 D256 I257L127-H253 WeakPolarHBondContact CD1-NE2 3.26Å; L127-H253 HydrophobicContact CD2-CB 4.21Å; S153-H253 PolarHBondContact OG-NE2 2.93Å; L155-H253 HydrophobicContact CD1-CB 3.8Å; R157-H253 HydrophobicContact CB-CB 4.19Å; R157-H253 HydrophobicContact CG-CB 4.44Å; A249-H253 WeakPolarHBondContact O-CB 3.47Å; A249-H253 PolarHBondContact O-N 2.97Å; I250-H253 PolarHBondContact O-N 2.75Å; H253-D256 PolarHBondContact O-N 3.4Å; H253-I257 WeakPolarHBondContact O-CG1 3.45Å; H253-I257 PolarHBondContact O-N 2.9Å
254M98.8Very high98Very high0 Ų048.3 Ų48.30%025%0.245CC..Hα-helixtrans-68.4-36180-68.8-57.1-64.100112.1V29 F30 A83 I85 L127 I250 I257 W258V29-M254 HydrophobicContact CG1-CB 3.46Å; V29-M254 VanDerWaalsContact CG1-CB 3.46Å; F30-M254 HydrophobicContact CE1-CE 4.07Å; F30-M254 HydrophobicContact CZ-CE 4.16Å; A83-M254 HydrophobicContact CB-CE 3.81Å; I85-M254 HydrophobicContact CD1-CG 4.23Å; I85-M254 HydrophobicContact CG1-CG 4.4Å; L127-M254 HydrophobicContact CB-SD 3.68Å; L127-M254 HydrophobicContact CD2-CG 3.69Å; L127-M254 HydrophobicContact CD2-SD 3.74Å; L127-M254 HydrophobicContact CG-SD 4.36Å; I250-M254 HydrophobicContact CG2-CG 4.49Å; I250-M254 PolarHBondContact O-N 3.34Å; M254-I257 PolarHBondContact O-N 2.7Å; M254-I257 HydrophobicContact SD-CD1 4.17Å; M254-W258 WeakPolarHBondContact O-CB 3.31Å; M254-W258 PolarHBondContact O-N 3.19Å
255R98.8Very high97.9Very high73 Ų7344.3 Ų44.328%0.27522%0.224SC..Hα-helixtrans-62-45.4174.9-173.9-171.1-57.4119.43.8111.3D28 C251 D252 I257 W258 F259D28-R255 PolarHBondContact O-NE 3.26Å; D28-R255 PolarHBondContact O-NH2 3.02Å; C251-R255 WeakPolarHBondContact O-CB 3.16Å; C251-R255 PolarHBondContact O-N 2.66Å; D252-R255 PolarHBondContact O-N 2.75Å; D252-R255 IonicContact OD1-NH1 2.65Å; D252-R255 PolarHBondContact OD1-NH1 3.41Å; R255-I257 VanDerWaalsContact C-N 3.32Å; R255-I257 PolarHBondContact O-N 2.95Å; R255-W258 PolarHBondContact O-N 2.98Å; R255-F259 HydrophobicContact CG-CD2 3.62Å; R255-F259 HydrophobicContact CG-CE2 4.16Å; R255-F259 WeakPolarHBondContact O-CD2 3.41Å; R255-F259 PolarHBondContact O-N 3.28Å
256D98.8Very high97.9Very high24 Ų2443 Ų4313%0.12821%0.213CC..Hα-helixtrans-70.5-31-179.4-66.8-8.5000111.6R157 D252 H253 G260 T261 I267 I292R157-D256 IonicContact CZ-OD2 3.72Å; R157-D256 IonicContact NH1-OD2 2.66Å; R157-D256 PolarHBondContact NH1-OD2 3.37Å; R157-D256 IonicContact NH2-OD2 3.53Å; R157-D256 PolarHBondContact NH2-OD2 3.15Å; D252-D256 WeakPolarHBondContact O-CB 3.49Å; D252-D256 PolarHBondContact O-N 3.03Å; H253-D256 PolarHBondContact O-N 3.4Å; D256-G260 CarbonylContact O-C 3.5Å; D256-G260 WeakPolarHBondContact O-CA 3.31Å; D256-G260 PolarHBondContact O-N 3.34Å; D256-T261 HydrophobicContact CB-CG2 4.49Å; D256-I267 HydrophobicContact CB-CD1 4.31Å; D256-I292 HydrophobicContact CB-CD1 4.17Å; D256-I292 VanDerWaalsContact O-CG2 3.3Å; D256-I292 WeakPolarHBondContact O-CG2 3.48Å
257I98.7Very high97.9Very high9 Ų943.3 Ų43.35%0.04621%0.213CC..Hα-helixtrans-60-49.4165.3-67173.9000109.9K125 H253 M254 R255 M269 I292 K295K125-I257 HydrophobicContact CB-CG2 4.46Å; K125-I257 HydrophobicContact CD-CG2 4.3Å; K125-I257 HydrophobicContact CG-CG2 4.09Å; H253-I257 WeakPolarHBondContact O-CG1 3.45Å; H253-I257 PolarHBondContact O-N 2.9Å; M254-I257 PolarHBondContact O-N 2.7Å; M254-I257 HydrophobicContact SD-CD1 4.17Å; R255-I257 VanDerWaalsContact C-N 3.32Å; R255-I257 PolarHBondContact O-N 2.95Å; I257-M269 HydrophobicContact CD1-CE 3.57Å; I257-M269 HydrophobicContact CG1-CE 3.85Å; I257-I292 HydrophobicContact CG1-CD1 4.14Å; I257-K295 HydrophobicContact CG2-CB 4.34Å; I257-K295 WeakPolarHBondContact O-CA 3.31Å; I257-K295 WeakPolarHBondContact O-CG 3.5Å
258W98.4Very high97.9Very high33 Ų3343.1 Ų43.113%0.12521%0.212CC..Hα-helixtrans-70-40.4-170.8-150-107.3000113.7I5 F30 M254 R255 K295I5-W258 HydrophobicContact CD1-CH2 4.07Å; I5-W258 HydrophobicContact CD1-CZ2 3.86Å; I5-W258 HydrophobicContact CG2-CH2 4.2Å; I5-W258 HydrophobicContact CG2-CZ2 4.07Å; F30-W258 HydrophobicContact CD1-CB 4.49Å; F30-W258 AromaticContact CD1-CD2 3.67Å; F30-W258 HydrophobicContact CD1-CD2 3.67Å; F30-W258 AromaticContact CD1-CE2 3.94Å; F30-W258 AromaticContact CD1-CE3 3.88Å; F30-W258 HydrophobicContact CD1-CE3 3.88Å; F30-W258 AromaticContact CD1-CG 3.97Å; F30-W258 HydrophobicContact CD1-CG 3.97Å; F30-W258 HydrophobicContact CD1-CZ2 4.37Å; F30-W258 HydrophobicContact CD1-CZ3 4.31Å; F30-W258 HydrophobicContact CE1-CD2 4.28Å; F30-W258 HydrophobicContact CE1-CE3 4.02Å; F30-W258 HydrophobicContact CE1-CZ3 4.3Å; F30-W258 PolarHBondContact O-NE1 2.72Å; M254-W258 WeakPolarHBondContact O-CB 3.31Å; M254-W258 PolarHBondContact O-N 3.19Å; R255-W258 PolarHBondContact O-N 2.98Å; W258-K295 HydrophobicContact CD2-CD 4.38Å; W258-K295 VanDerWaalsContact CE2-NZ 3.3Å; W258-K295 HydrophobicContact CE3-CD 4.01Å; W258-K295 HydrophobicContact CZ3-CD 4.19Å
259F98.4Very high97.9Very high124 Ų12438 Ų3854%0.54419%0.19SC..Hα-helixtrans-109.5-12.3-172.1-65-69.9000114.3V29 F30 R255V29-F259 WeakPolarHBondContact O-CE2 3.47Å; F30-F259 VanDerWaalsContact C-CZ 3.49Å; F30-F259 WeakPolarHBondContact O-CZ 3.44Å; R255-F259 HydrophobicContact CG-CD2 3.62Å; R255-F259 HydrophobicContact CG-CE2 4.16Å; R255-F259 WeakPolarHBondContact O-CD2 3.41Å; R255-F259 PolarHBondContact O-N 3.28Å
260G98.5Very high97.9Very high16 Ų1638 Ų3817%0.16519%0.19CC..  trans88.2165.6-175.400000113.7D256 I292D256-G260 CarbonylContact O-C 3.5Å; D256-G260 WeakPolarHBondContact O-CA 3.31Å; D256-G260 PolarHBondContact O-N 3.34Å; G260-I292 CarbonylContact C-O 3.57Å; G260-I292 WeakPolarHBondContact CA-O 3.12Å
261T98.2Very high97.9Very high29 Ų2938 Ų3818%0.17819%0.19CC..PPolyproline II helixtrans-85.7156.2171.854.80000110.3D256 I267 Q291 I292D256-T261 HydrophobicContact CB-CG2 4.49Å; T261-I267 HydrophobicContact CG2-CG1 3.89Å; T261-I267 HydrophobicContact CG2-CG2 4.27Å; T261-Q291 WeakPolarHBondContact OG1-CA 3.29Å; T261-I292 HydrophobicContact CG2-CB 4.12Å; T261-I292 HydrophobicContact CG2-CD1 4.38Å; T261-I292 HydrophobicContact CG2-CG1 4.12Å; T261-I292 PolarHBondContact N-O 2.98Å; T261-I292 PolarHBondContact OG1-N 2.92Å; T261-I292 PolarHBondContact OG1-O 2.61Å
262K96.1Very high97.9Very high143 Ų14339 Ų3962%0.62219%0.193SC*.PPolyproline II helixtrans-66.7152.9173.4-63.8178.2-174.4170.10111G264 E265K262-G264 PolarHBondContact O-N 3.37Å; K262-E265 HydrophobicContact CB-CB 4.16Å; K262-E265 HydrophobicContact CB-CG 4.28Å; K262-E265 PolarHBondContact O-N 2.91Å; K262-E265 VanDerWaalsContact O-N 3.12Å
263E92.8Very high97.9Very high196 Ų19638.8 Ų38.892%0.91619%0.192SC*.THydrogen-bonded Turntrans-59.8135.9174.1-172.8172.7-174.400110.9E265E263-E265 PolarHBondContact O-N 3.46Å
264G92.3Very high97.8Very high48 Ų4840.8 Ų40.850%0.49521%0.209SC..THydrogen-bonded Turntrans71.80.2-176.700000115.2N180 K262N180-G264 PolarHBondContact ND2-O 2.89Å; N180-G264 VanDerWaalsContact ND2-O 3.07Å; K262-G264 PolarHBondContact O-N 3.37Å
265E97.3Very high97.5Very high61 Ų6143.9 Ų43.929%0.28524%0.24SC..  trans-110146.2175.1-69.5-178.8-154.500111.3K179 N180 K262 E263 Q291K179-E265 HydrophobicContact CB-CG 4.27Å; K179-E265 HydrophobicContact CD-CG 3.86Å; N180-E265 VanDerWaalsContact OD1-CA 3.28Å; N180-E265 WeakPolarHBondContact OD1-CA 3.45Å; K262-E265 HydrophobicContact CB-CB 4.16Å; K262-E265 HydrophobicContact CB-CG 4.28Å; K262-E265 PolarHBondContact O-N 2.91Å; K262-E265 VanDerWaalsContact O-N 3.12Å; E263-E265 PolarHBondContact O-N 3.46Å; E265-Q291 PolarHBondContact O-NE2 2.75Å
266F98.3Very high97.4Very high17 Ų1741.4 Ų41.48%0.07523%0.233CC..  trans-132.9155.4169.248.4-106000110.9N180 I182 H197 P289 V290 Q291 V300 L303N180-F266 VanDerWaalsContact CA-CE2 3.45Å; N180-F266 HydrophobicContact CB-CD2 4.18Å; N180-F266 HydrophobicContact CB-CE1 3.95Å; N180-F266 HydrophobicContact CB-CE2 3.5Å; N180-F266 VanDerWaalsContact CB-CE2 3.5Å; N180-F266 HydrophobicContact CB-CZ 3.39Å; N180-F266 WeakPolarHBondContact O-CE2 3.34Å; N180-F266 PolarHBondContact OD1-N 3.49Å; I182-F266 HydrophobicContact CD1-CE2 3.8Å; I182-F266 HydrophobicContact CD1-CZ 4.21Å; I182-F266 HydrophobicContact CG1-CD2 4.25Å; I182-F266 HydrophobicContact CG1-CE2 3.53Å; I182-F266 HydrophobicContact CG1-CZ 4.38Å; H197-F266 HydrophobicContact CB-CZ 4.11Å; F266-P289 HydrophobicContact CD2-CB 3.72Å; F266-P289 HydrophobicContact CE2-CB 4.1Å; F266-P289 HydrophobicContact CG-CB 4.16Å; F266-V290 WeakPolarHBondContact CA-O 3.44Å; F266-V290 VanDerWaalsContact CB-O 3.31Å; F266-V290 WeakPolarHBondContact CB-O 3.34Å; F266-Q291 HydrophobicContact CB-CG 4.04Å; F266-V300 HydrophobicContact CB-CG2 3.7Å; F266-V300 HydrophobicContact CD1-CG1 4.32Å; F266-V300 HydrophobicContact CD1-CG2 3.85Å; F266-V300 HydrophobicContact CE1-CG1 4.48Å; F266-V300 HydrophobicContact CG-CG2 3.94Å; F266-L303 HydrophobicContact CZ-CD1 4.46Å
267I98.7Very high97.4Very high11 Ų1143.6 Ų43.66%0.05625%0.25CS..EExtended strand (participates in β ladder)trans-119.2165.5178.659.5135.1000110.6D256 T261 M269 P289 V290 I292D256-I267 HydrophobicContact CB-CD1 4.31Å; T261-I267 HydrophobicContact CG2-CG1 3.89Å; T261-I267 HydrophobicContact CG2-CG2 4.27Å; I267-M269 HydrophobicContact CD1-CB 4.48Å; I267-P289 CarbonylContact O-C 3.54Å; I267-P289 WeakPolarHBondContact O-CA 3.43Å; I267-V290 HydrophobicContact CD1-CG2 4.27Å; I267-V290 HydrophobicContact CG1-CG2 3.98Å; I267-V290 PolarHBondContact N-O 2.74Å; I267-V290 PolarHBondContact O-N 2.96Å; I267-I292 HydrophobicContact CD1-CD1 4.02Å; I267-I292 HydrophobicContact CG1-CD1 4.47Å
268S98.9Very high97.4Very high0 Ų043.9 Ų43.90%025%0.25CS..EExtended strand (participates in β ladder)trans-91.7131.7174.2-46.90000111.1H160 I182 I183 F288H160-S268 PolarHBondContact ND1-OG 3.4Å; I182-S268 WeakPolarHBondContact CA-OG 3.38Å; I183-S268 PolarHBondContact N-OG 3.11Å; S268-F288 WeakPolarHBondContact CA-O 3.48Å
269M98.9Very high97.3Very high3 Ų345.4 Ų45.42%0.01528%0.276CS..EExtended strand (participates in β ladder)trans-147.6127.9-177.2-165.7169.116900109.7S153 I257 I267 V271 S287 F288 V290 I292S153-M269 WeakPolarHBondContact OG-CE 3.26Å; I257-M269 HydrophobicContact CD1-CE 3.57Å; I257-M269 HydrophobicContact CG1-CE 3.85Å; I267-M269 HydrophobicContact CD1-CB 4.48Å; M269-V271 HydrophobicContact CB-CG1 4.11Å; M269-V271 HydrophobicContact CE-CG1 4.18Å; M269-V271 HydrophobicContact CG-CG1 3.67Å; M269-V271 PolarHBondContact O-N 3.35Å; M269-V271 HydrophobicContact SD-CG1 4.1Å; M269-S287 WeakPolarHBondContact O-CA 3.3Å; M269-F288 PolarHBondContact N-O 2.81Å; M269-F288 VanDerWaalsContact N-O 3.11Å; M269-F288 PolarHBondContact O-N 3.31Å; M269-V290 HydrophobicContact CB-CG1 4.29Å; M269-V290 HydrophobicContact CB-CG2 3.51Å; M269-V290 HydrophobicContact CG-CG2 4.34Å; M269-V290 HydrophobicContact SD-CG2 3.92Å; M269-I292 HydrophobicContact SD-CD1 4.03Å
270G98.9Very high97.3Very high0 Ų039.8 Ų39.80%025%0.252CS..EExtended strand (participates in β ladder)trans-71.6113.3169.400000110.1S153 C154S153-G270 CarbonylContact C-O 3.49Å; S153-G270 WeakPolarHBondContact CA-O 3.46Å; S153-G270 WeakPolarHBondContact CB-O 3.25Å; C154-G270 PolarHBondContact N-O 2.93Å; C154-G270 PolarHBondContact O-N 3.49Å
271V98.9Very high97.3Very high0 Ų041.8 Ų41.80%026%0.262CS..EExtended strand (participates in β ladder)trans-136.8167.5-176.1-63.20000110.9M269 A273 I285 Y286 F288 V290 W297 I299M269-V271 HydrophobicContact CB-CG1 4.11Å; M269-V271 HydrophobicContact CE-CG1 4.18Å; M269-V271 HydrophobicContact CG-CG1 3.67Å; M269-V271 PolarHBondContact O-N 3.35Å; M269-V271 HydrophobicContact SD-CG1 4.1Å; V271-A273 PolarHBondContact O-N 3.1Å; V271-I285 WeakPolarHBondContact O-CA 3.39Å; V271-Y286 PolarHBondContact N-O 2.87Å; V271-Y286 PolarHBondContact O-N 3.27Å; V271-F288 HydrophobicContact CG2-CB 4.49Å; V271-F288 HydrophobicContact CG2-CD2 3.79Å; V271-V290 HydrophobicContact CG2-CG1 4.32Å; V271-W297 HydrophobicContact CB-CD2 4.25Å; V271-W297 HydrophobicContact CB-CE3 4.44Å; V271-W297 HydrophobicContact CB-CH2 3.87Å; V271-W297 HydrophobicContact CB-CZ2 3.62Å; V271-W297 HydrophobicContact CB-CZ3 4.28Å; V271-W297 HydrophobicContact CG1-CD2 3.91Å; V271-W297 HydrophobicContact CG1-CE3 4.42Å; V271-W297 HydrophobicContact CG1-CG 4.24Å; V271-W297 HydrophobicContact CG1-CZ2 4.04Å; V271-W297 HydrophobicContact CG2-CD2 4.46Å; V271-W297 HydrophobicContact CG2-CE3 4.18Å; V271-W297 HydrophobicContact CG2-CH2 3.88Å; V271-W297 HydrophobicContact CG2-CZ2 4.16Å; V271-W297 HydrophobicContact CG2-CZ3 3.9Å; V271-I299 HydrophobicContact CG2-CD1 4.42Å; V271-I299 HydrophobicContact CG2-CG1 4.35Å
272Y98.6Very high97.2Very high27 Ų2745.9 Ų45.911%0.10628%0.279CS..EExtended strand (participates in β ladder)trans-65129.4177.5-165.1-112.7000111L138 K149 A274 D283 L284 I285L138-Y272 HydrophobicContact CD1-CD2 4.29Å; L138-Y272 HydrophobicContact CD1-CE2 4Å; K149-Y272 HydrophobicContact CB-CD1 4.16Å; K149-Y272 HydrophobicContact CB-CG 4.16Å; K149-Y272 HydrophobicContact CD-CD1 3.61Å; K149-Y272 HydrophobicContact CD-CD2 4.1Å; K149-Y272 HydrophobicContact CD-CE1 3.4Å; K149-Y272 VanDerWaalsContact CD-CE1 3.4Å; K149-Y272 HydrophobicContact CD-CE2 3.92Å; K149-Y272 HydrophobicContact CD-CG 3.97Å; K149-Y272 PolarHBondContact NZ-OH 3.27Å; Y272-A274 HydrophobicContact CD1-CB 3.65Å; Y272-A274 HydrophobicContact CE1-CB 3.35Å; Y272-A274 PolarHBondContact O-N 3.46Å; Y272-D283 PolarHBondContact OH-OD1 3.39Å; Y272-L284 WeakPolarHBondContact CA-O 3.31Å; Y272-I285 HydrophobicContact CD2-CD1 4.15Å
273A98.2Very high97.2Very high0 Ų041.2 Ų41.20%026%0.261CS..  trans-83-6.5-167.700000114.4V271 G275 N276 I280 P281 E282 L284 F288V271-A273 PolarHBondContact O-N 3.1Å; A273-G275 PolarHBondContact O-N 3.27Å; A273-N276 WeakPolarHBondContact O-CB 3.39Å; A273-N276 PolarHBondContact O-N 3.36Å; A273-N276 PolarHBondContact O-ND2 3.05Å; A273-I280 HydrophobicContact CB-CG2 4.37Å; A273-P281 WeakPolarHBondContact CB-O 3.42Å; A273-E282 CarbonylContact C-O 3.48Å; A273-L284 HydrophobicContact CB-CB 4.28Å; A273-L284 WeakPolarHBondContact CB-O 3.09Å; A273-L284 PolarHBondContact N-O 3.06Å; A273-F288 HydrophobicContact CB-CE2 3.88Å; A273-F288 HydrophobicContact CB-CZ 4.05Å
274A96.5Very high97.5Very high43 Ų4332 Ų3236%0.35522%0.218SC..THydrogen-bonded Turntrans-57136.3-178.300000112.9Y272 N276 E282Y272-A274 HydrophobicContact CD1-CB 3.65Å; Y272-A274 HydrophobicContact CE1-CB 3.35Å; Y272-A274 PolarHBondContact O-N 3.46Å; A274-N276 VanDerWaalsContact C-N 3.29Å; A274-N276 PolarHBondContact O-N 3.3Å; A274-E282 HydrophobicContact CB-CB 4.09Å; A274-E282 HydrophobicContact CB-CG 4.49Å; A274-E282 PolarHBondContact N-O 2.85Å
275G93.3Very high97.8Very high64 Ų6429.8 Ų29.866%0.6620%0.195SC*.THydrogen-bonded Turntrans7310.2-179.600000115.9A273 E282A273-G275 PolarHBondContact O-N 3.27Å; G275-E282 PolarHBondContact N-OE1 2.72Å; G275-E282 VanDerWaalsContact N-OE1 3.14Å
276N97.6Very high97.9Very high21 Ų2126.9 Ų26.911%0.11218%0.181CC..  trans-67.1145.5175.480.391.4000112.1A273 A274 Y278 G279 I280 F288 I299A273-N276 WeakPolarHBondContact O-CB 3.39Å; A273-N276 PolarHBondContact O-N 3.36Å; A273-N276 PolarHBondContact O-ND2 3.05Å; A274-N276 VanDerWaalsContact C-N 3.29Å; A274-N276 PolarHBondContact O-N 3.3Å; N276-Y278 VanDerWaalsContact C-N 3.32Å; N276-Y278 PolarHBondContact O-N 2.94Å; N276-Y278 WeakPolarHBondContact OD1-CA 3.15Å; N276-Y278 PolarHBondContact OD1-N 2.91Å; N276-G279 PolarHBondContact OD1-N 3.12Å; N276-I280 PolarHBondContact ND2-O 2.93Å; N276-I280 PolarHBondContact OD1-N 2.94Å; N276-I280 VanDerWaalsContact OD1-N 3.09Å; N276-F288 HydrophobicContact CB-CE1 3.93Å; N276-F288 HydrophobicContact CB-CZ 3.89Å; N276-I299 HydrophobicContact CB-CD1 3.98Å
277S97.4Very high97.9Very high71 Ų7126 Ų2650%0.49718%0.178SC..THydrogen-bonded Turntrans-86.24.2178.469.40000114.5
278Y98.4Very high97.9Very high14 Ų1425.5 Ų25.56%0.05518%0.175CC..THydrogen-bonded Turntrans-102.79.6-170-65.7-71.2000113.6W184 N276 I280 F288 I299 V300 L303 I305 R310 M313W184-Y278 HydrophobicContact CH2-CD1 4.03Å; W184-Y278 AromaticContact CH2-CD2 3.94Å; W184-Y278 HydrophobicContact CH2-CD2 3.94Å; W184-Y278 AromaticContact CH2-CE1 3.9Å; W184-Y278 HydrophobicContact CH2-CE1 3.9Å; W184-Y278 AromaticContact CH2-CE2 3.8Å; W184-Y278 HydrophobicContact CH2-CE2 3.8Å; W184-Y278 HydrophobicContact CH2-CG 4.05Å; W184-Y278 AromaticContact CH2-CZ 3.78Å; W184-Y278 HydrophobicContact CZ3-CD1 4.44Å; W184-Y278 AromaticContact CZ3-CD2 3.89Å; W184-Y278 HydrophobicContact CZ3-CD2 3.89Å; W184-Y278 HydrophobicContact CZ3-CE2 4.15Å; W184-Y278 HydrophobicContact CZ3-CG 4.05Å; N276-Y278 VanDerWaalsContact C-N 3.32Å; N276-Y278 PolarHBondContact O-N 2.94Å; N276-Y278 WeakPolarHBondContact OD1-CA 3.15Å; N276-Y278 PolarHBondContact OD1-N 2.91Å; Y278-I280 PolarHBondContact O-N 3.43Å; Y278-F288 HydrophobicContact CD2-CD1 4.13Å; Y278-F288 HydrophobicContact CD2-CE1 4.17Å; Y278-I299 HydrophobicContact CD2-CG2 4.19Å; Y278-I299 HydrophobicContact CE2-CG2 3.76Å; Y278-V300 WeakPolarHBondContact CE2-O 3.33Å; Y278-V300 VanDerWaalsContact CZ-O 3.26Å; Y278-V300 PolarHBondContact OH-O 2.75Å; Y278-L303 HydrophobicContact CE1-CB 4.17Å; Y278-L303 WeakPolarHBondContact OH-CB 3.34Å; Y278-L303 WeakPolarHBondContact OH-CG 3.28Å; Y278-L303 PolarHBondContact OH-N 2.87Å; Y278-I305 HydrophobicContact CD1-CD1 4.06Å; Y278-I305 HydrophobicContact CD1-CG1 3.83Å; Y278-I305 HydrophobicContact CE1-CD1 3.94Å; Y278-I305 HydrophobicContact CE1-CG1 4.01Å; Y278-R310 PolarHBondContact O-NH1 3.23Å; Y278-M313 HydrophobicContact CD1-CE 4.35Å; Y278-M313 HydrophobicContact CG-CE 4.32Å
279G97.8Very high97.9Very high65 Ų6525.5 Ų25.567%0.6718%0.175SC*.  trans662018000000114N276N276-G279 PolarHBondContact OD1-N 3.12Å
280I98.5Very high97.9Very high6 Ų625.4 Ų25.43%0.03117%0.174CC..  trans-78.6139.3173.4-56.1-56.7000108.7A273 N276 Y278 E282 L284 Y286 F288 M313 A317A273-I280 HydrophobicContact CB-CG2 4.37Å; N276-I280 PolarHBondContact ND2-O 2.93Å; N276-I280 PolarHBondContact OD1-N 2.94Å; N276-I280 VanDerWaalsContact OD1-N 3.09Å; Y278-I280 PolarHBondContact O-N 3.43Å; I280-E282 PolarHBondContact O-N 3.16Å; I280-L284 HydrophobicContact CG2-CD1 4.36Å; I280-Y286 HydrophobicContact CD1-CE1 4.27Å; I280-Y286 HydrophobicContact CD1-CE2 4.08Å; I280-Y286 HydrophobicContact CG1-CD1 4.43Å; I280-Y286 HydrophobicContact CG1-CE1 4.19Å; I280-Y286 HydrophobicContact CG1-CE2 4.48Å; I280-Y286 HydrophobicContact CG2-CD1 4.21Å; I280-Y286 HydrophobicContact CG2-CD2 3.54Å; I280-Y286 HydrophobicContact CG2-CE2 3.93Å; I280-Y286 HydrophobicContact CG2-CG 3.72Å; I280-F288 HydrophobicContact CB-CE1 4.34Å; I280-F288 HydrophobicContact CB-CZ 3.96Å; I280-F288 HydrophobicContact CG1-CE1 3.92Å; I280-F288 HydrophobicContact CG1-CZ 4.01Å; I280-F288 HydrophobicContact CG2-CZ 4.09Å; I280-M313 HydrophobicContact CD1-CB 4.39Å; I280-M313 HydrophobicContact CD1-CE 4.3Å; I280-A317 HydrophobicContact CD1-CB 4.41Å
281P98.2Very high97.9Very high58 Ų5829.1 Ų29.138%0.37719%0.192SC..  trans-57.5136.2177.1-24.934.1000113A273 L284 V321A273-P281 WeakPolarHBondContact CB-O 3.42Å; P281-L284 HydrophobicContact CB-CD1 3.91Å; P281-L284 HydrophobicContact CB-CG 4.35Å; P281-L284 HydrophobicContact CG-CD1 4.19Å; P281-V321 HydrophobicContact CG-CG2 4.37Å
282E95.3Very high97.9Very high115 Ų11529.4 Ų29.454%0.53719%0.193SC..SBendtrans-69.2-38.5-168.2-64-160.9143.800115.5A273 A274 G275 I280 L284A273-E282 CarbonylContact C-O 3.48Å; A274-E282 HydrophobicContact CB-CB 4.09Å; A274-E282 HydrophobicContact CB-CG 4.49Å; A274-E282 PolarHBondContact N-O 2.85Å; G275-E282 PolarHBondContact N-OE1 2.72Å; G275-E282 VanDerWaalsContact N-OE1 3.14Å; I280-E282 PolarHBondContact O-N 3.16Å; E282-L284 PolarHBondContact O-N 2.94Å
283D97.1Very high97.9Very high45 Ų4535.6 Ų35.624%0.24122%0.221CC..SBendtrans-85.254.3-175.6-168.942.1000111.7K142 Y272 R324K142-D283 WeakPolarHBondContact CE-OD1 3.5Å; K142-D283 IonicContact NZ-OD1 3.61Å; K142-D283 PolarHBondContact NZ-OD1 3.46Å; K142-D283 IonicContact NZ-OD2 2.88Å; K142-D283 PolarHBondContact NZ-OD2 3.47Å; Y272-D283 PolarHBondContact OH-OD1 3.39Å; D283-R324 VanDerWaalsContact O-CD 3.25Å; D283-R324 WeakPolarHBondContact O-CD 3.39Å; D283-R324 PolarHBondContact O-NH1 3.26Å
284L98.4Very high97.8Very high2 Ų242.5 Ų42.51%0.0126%0.258CS..SBendtrans-136.3152.7178.6-62.9178.8000110.3Y272 A273 I280 P281 E282 L320 V321 R324Y272-L284 WeakPolarHBondContact CA-O 3.31Å; A273-L284 HydrophobicContact CB-CB 4.28Å; A273-L284 WeakPolarHBondContact CB-O 3.09Å; A273-L284 PolarHBondContact N-O 3.06Å; I280-L284 HydrophobicContact CG2-CD1 4.36Å; P281-L284 HydrophobicContact CB-CD1 3.91Å; P281-L284 HydrophobicContact CB-CG 4.35Å; P281-L284 HydrophobicContact CG-CD1 4.19Å; E282-L284 PolarHBondContact O-N 2.94Å; L284-L320 HydrophobicContact CD1-CB 4.24Å; L284-L320 HydrophobicContact CD2-CB 4.11Å; L284-V321 HydrophobicContact CD1-CG2 4.06Å; L284-V321 HydrophobicContact CD2-CG2 4.14Å; L284-R324 HydrophobicContact CD2-CB 4.38Å
285I98.8Very high97.9Very high2 Ų244 Ų441%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-93.6112154.7-62.8-67.3000106.8N134 C137 L138 C154 V271 Y272N134-I285 HydrophobicContact CB-CB 4.44Å; N134-I285 HydrophobicContact CB-CG2 4.34Å; N134-I285 WeakPolarHBondContact CB-O 3.36Å; N134-I285 PolarHBondContact ND2-O 3.29Å; N134-I285 WeakPolarHBondContact O-CB 3.45Å; C137-I285 HydrophobicContact CB-CB 4.49Å; C137-I285 HydrophobicContact CB-CG1 4.05Å; C137-I285 HydrophobicContact CB-CG2 4.18Å; L138-I285 HydrophobicContact CB-CG1 3.77Å; L138-I285 HydrophobicContact CD1-CG1 4.22Å; C154-I285 HydrophobicContact CB-CG2 4.41Å; V271-I285 WeakPolarHBondContact O-CA 3.39Å; Y272-I285 HydrophobicContact CD2-CD1 4.15Å
286Y98.9Very high98.1Very high0 Ų044.4 Ų44.40%025%0.249CC..EExtended strand (participates in β ladder)trans-128.5141.5-175.8-170.9-77000108.7W184 G185 V271 I280 F288 M313 T316 A317 L320W184-Y286 HydrophobicContact CB-CE1 4.12Å; W184-Y286 HydrophobicContact CE3-CE1 4.07Å; G185-Y286 VanDerWaalsContact CA-CE1 3.41Å; G185-Y286 VanDerWaalsContact CA-CE2 3.41Å; V271-Y286 PolarHBondContact N-O 2.87Å; V271-Y286 PolarHBondContact O-N 3.27Å; I280-Y286 HydrophobicContact CD1-CE1 4.27Å; I280-Y286 HydrophobicContact CD1-CE2 4.08Å; I280-Y286 HydrophobicContact CG1-CD1 4.43Å; I280-Y286 HydrophobicContact CG1-CE1 4.19Å; I280-Y286 HydrophobicContact CG1-CE2 4.48Å; I280-Y286 HydrophobicContact CG2-CD1 4.21Å; I280-Y286 HydrophobicContact CG2-CD2 3.54Å; I280-Y286 HydrophobicContact CG2-CE2 3.93Å; I280-Y286 HydrophobicContact CG2-CG 3.72Å; Y286-F288 HydrophobicContact CD1-CD1 4.35Å; Y286-F288 HydrophobicContact CD1-CD2 4.12Å; Y286-F288 AromaticContact CD1-CE1 3.95Å; Y286-F288 HydrophobicContact CD1-CE1 3.95Å; Y286-F288 AromaticContact CD1-CE2 3.75Å; Y286-F288 HydrophobicContact CD1-CE2 3.75Å; Y286-F288 HydrophobicContact CD1-CG 4.4Å; Y286-F288 AromaticContact CD1-CZ 3.62Å; Y286-F288 HydrophobicContact CD1-CZ 3.62Å; Y286-F288 HydrophobicContact CE1-CE1 4.39Å; Y286-F288 HydrophobicContact CE1-CZ 4.44Å; Y286-F288 HydrophobicContact CG-CE2 4.09Å; Y286-F288 HydrophobicContact CG-CZ 4.09Å; Y286-F288 WeakPolarHBondContact O-CD2 3.48Å; Y286-F288 WeakPolarHBondContact O-CE2 3.35Å; Y286-M313 VanDerWaalsContact OH-CA 3.31Å; Y286-M313 WeakPolarHBondContact OH-CA 3.33Å; Y286-M313 PolarHBondContact OH-O 3.47Å; Y286-T316 HydrophobicContact CE2-CG2 3.77Å; Y286-T316 WeakPolarHBondContact OH-CG2 3.5Å; Y286-A317 HydrophobicContact CD2-CB 4.39Å; Y286-A317 HydrophobicContact CE2-CB 3.79Å; Y286-L320 HydrophobicContact CD2-CD1 3.5Å; Y286-L320 VanDerWaalsContact CD2-CD1 3.5Å; Y286-L320 HydrophobicContact CE2-CD1 4.2Å; Y286-L320 HydrophobicContact CG-CD1 4.2Å
287S98.9Very high98.1Very high0 Ų045.3 Ų45.30%025%0.251CS..EExtended strand (participates in β ladder)trans-78.3126.4178.8-174.90000111.6T156 I183 W184 G185 M269T156-S287 WeakPolarHBondContact CB-OG 3.07Å; T156-S287 PolarHBondContact OG1-OG 3.28Å; I183-S287 WeakPolarHBondContact O-CB 3.3Å; I183-S287 PolarHBondContact O-OG 3.05Å; W184-S287 WeakPolarHBondContact CA-O 3.44Å; G185-S287 PolarHBondContact N-O 2.91Å; G185-S287 VanDerWaalsContact N-O 3.12Å; G185-S287 WeakPolarHBondContact O-CB 3.33Å; G185-S287 PolarHBondContact O-N 3.38Å; M269-S287 WeakPolarHBondContact O-CA 3.3Å
288F98.9Very high98.2Very high0 Ų048.1 Ų48.10%025%0.254CS..EExtended strand (participates in β ladder)trans-125161.1-179.4-69.7-83.2000110.8W184 S268 M269 V271 A273 N276 Y278 I280 Y286 V290 I299W184-F288 HydrophobicContact CE3-CD1 4.07Å; W184-F288 AromaticContact CZ3-CD1 3.6Å; W184-F288 HydrophobicContact CZ3-CD1 3.6Å; W184-F288 HydrophobicContact CZ3-CE1 4.15Å; S268-F288 WeakPolarHBondContact CA-O 3.48Å; M269-F288 PolarHBondContact N-O 2.81Å; M269-F288 VanDerWaalsContact N-O 3.11Å; M269-F288 PolarHBondContact O-N 3.31Å; V271-F288 HydrophobicContact CG2-CB 4.49Å; V271-F288 HydrophobicContact CG2-CD2 3.79Å; A273-F288 HydrophobicContact CB-CE2 3.88Å; A273-F288 HydrophobicContact CB-CZ 4.05Å; N276-F288 HydrophobicContact CB-CE1 3.93Å; N276-F288 HydrophobicContact CB-CZ 3.89Å; Y278-F288 HydrophobicContact CD2-CD1 4.13Å; Y278-F288 HydrophobicContact CD2-CE1 4.17Å; I280-F288 HydrophobicContact CB-CE1 4.34Å; I280-F288 HydrophobicContact CB-CZ 3.96Å; I280-F288 HydrophobicContact CG1-CE1 3.92Å; I280-F288 HydrophobicContact CG1-CZ 4.01Å; I280-F288 HydrophobicContact CG2-CZ 4.09Å; Y286-F288 HydrophobicContact CD1-CD1 4.35Å; Y286-F288 HydrophobicContact CD1-CD2 4.12Å; Y286-F288 AromaticContact CD1-CE1 3.95Å; Y286-F288 HydrophobicContact CD1-CE1 3.95Å; Y286-F288 AromaticContact CD1-CE2 3.75Å; Y286-F288 HydrophobicContact CD1-CE2 3.75Å; Y286-F288 HydrophobicContact CD1-CG 4.4Å; Y286-F288 AromaticContact CD1-CZ 3.62Å; Y286-F288 HydrophobicContact CD1-CZ 3.62Å; Y286-F288 HydrophobicContact CE1-CE1 4.39Å; Y286-F288 HydrophobicContact CE1-CZ 4.44Å; Y286-F288 HydrophobicContact CG-CE2 4.09Å; Y286-F288 HydrophobicContact CG-CZ 4.09Å; Y286-F288 WeakPolarHBondContact O-CD2 3.48Å; Y286-F288 WeakPolarHBondContact O-CE2 3.35Å; F288-V290 HydrophobicContact CB-CG1 4.25Å; F288-V290 PolarHBondContact O-N 2.83Å; F288-I299 HydrophobicContact CB-CD1 4.39Å; F288-I299 HydrophobicContact CB-CG1 3.97Å; F288-I299 HydrophobicContact CB-CG2 4.26Å; F288-I299 HydrophobicContact CD1-CD1 4.21Å; F288-I299 HydrophobicContact CD1-CG2 4.13Å; F288-I299 HydrophobicContact CD2-CD1 3.84Å; F288-I299 HydrophobicContact CD2-CG1 4.3Å; F288-I299 HydrophobicContact CE2-CD1 4.12Å; F288-I299 HydrophobicContact CG-CD1 3.9Å; F288-I299 HydrophobicContact CG-CG1 4.04Å; F288-I299 HydrophobicContact CG-CG2 4.35Å; F288-I299 HydrophobicContact CZ-CD1 4.47Å
289P98.8Very high98.2Very high0 Ų048 Ų480%025%0.254CS..EExtended strand (participates in β ladder)trans-69.1124.1158.830-30.8000109.1I182 W184 F266 I267 I299 V300 L303I182-P289 HydrophobicContact CD1-CB 3.99Å; I182-P289 HydrophobicContact CD1-CG 4.06Å; I182-P289 HydrophobicContact CG1-CB 4.05Å; I182-P289 HydrophobicContact CG2-CB 3.98Å; I182-P289 HydrophobicContact CG2-CG 4.09Å; W184-P289 HydrophobicContact CH2-CG 3.68Å; W184-P289 HydrophobicContact CZ2-CG 3.9Å; W184-P289 VanDerWaalsContact CZ3-CD 3.47Å; W184-P289 HydrophobicContact CZ3-CG 4.28Å; F266-P289 HydrophobicContact CD2-CB 3.72Å; F266-P289 HydrophobicContact CE2-CB 4.1Å; F266-P289 HydrophobicContact CG-CB 4.16Å; I267-P289 CarbonylContact O-C 3.54Å; I267-P289 WeakPolarHBondContact O-CA 3.43Å; P289-I299 WeakPolarHBondContact O-CA 3.28Å; P289-V300 HydrophobicContact CB-CB 4.24Å; P289-V300 HydrophobicContact CB-CG2 4.25Å; P289-V300 HydrophobicContact CG-CB 4.23Å; P289-V300 PolarHBondContact O-N 3.13Å; P289-L303 HydrophobicContact CB-CD1 4.33Å; P289-L303 HydrophobicContact CG-CD1 3.76Å
290V98.8Very high98.2Very high0 Ų045.8 Ų45.80%023%0.228CC..EExtended strand (participates in β ladder)trans-128.3147.9179-55.60000111.9F266 I267 M269 V271 F288 I292 W297 K298 I299F266-V290 WeakPolarHBondContact CA-O 3.44Å; F266-V290 VanDerWaalsContact CB-O 3.31Å; F266-V290 WeakPolarHBondContact CB-O 3.34Å; I267-V290 HydrophobicContact CD1-CG2 4.27Å; I267-V290 HydrophobicContact CG1-CG2 3.98Å; I267-V290 PolarHBondContact N-O 2.74Å; I267-V290 PolarHBondContact O-N 2.96Å; M269-V290 HydrophobicContact CB-CG1 4.29Å; M269-V290 HydrophobicContact CB-CG2 3.51Å; M269-V290 HydrophobicContact CG-CG2 4.34Å; M269-V290 HydrophobicContact SD-CG2 3.92Å; V271-V290 HydrophobicContact CG2-CG1 4.32Å; F288-V290 HydrophobicContact CB-CG1 4.25Å; F288-V290 PolarHBondContact O-N 2.83Å; V290-I292 HydrophobicContact CG2-CD1 4.48Å; V290-I292 HydrophobicContact CG2-CG1 4.29Å; V290-W297 HydrophobicContact CB-CB 4.26Å; V290-W297 HydrophobicContact CG1-CE3 4.39Å; V290-W297 HydrophobicContact CG2-CB 4.41Å; V290-K298 CarbonylContact C-O 3.58Å; V290-K298 VanDerWaalsContact CA-O 3.24Å; V290-K298 WeakPolarHBondContact CA-O 3.32Å; V290-I299 HydrophobicContact CG1-CG1 4.31Å
291Q98.6Very high98.1Very high79 Ų7949.1 Ų49.137%0.36925%0.245SC..EExtended strand (participates in β ladder)trans-106.9142.4164.4-70.2-176.7-43.500109.2T261 E265 F266 W297 K298 V300T261-Q291 WeakPolarHBondContact OG1-CA 3.29Å; E265-Q291 PolarHBondContact O-NE2 2.75Å; F266-Q291 HydrophobicContact CB-CG 4.04Å; Q291-W297 CarbonylContact O-C 3.14Å; Q291-W297 VanDerWaalsContact O-CA 3.27Å; Q291-W297 WeakPolarHBondContact O-CA 3.25Å; Q291-K298 PolarHBondContact N-O 3.34Å; Q291-K298 PolarHBondContact O-N 2.93Å; Q291-V300 HydrophobicContact CG-CG2 3.88Å
292I98.8Very high98Very high6 Ų649.6 Ų49.63%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-121.1130-177.2-52.8171.2000109.6D256 I257 G260 T261 I267 M269 V290 S296 W297D256-I292 HydrophobicContact CB-CD1 4.17Å; D256-I292 VanDerWaalsContact O-CG2 3.3Å; D256-I292 WeakPolarHBondContact O-CG2 3.48Å; I257-I292 HydrophobicContact CG1-CD1 4.14Å; G260-I292 CarbonylContact C-O 3.57Å; G260-I292 WeakPolarHBondContact CA-O 3.12Å; T261-I292 HydrophobicContact CG2-CB 4.12Å; T261-I292 HydrophobicContact CG2-CD1 4.38Å; T261-I292 HydrophobicContact CG2-CG1 4.12Å; T261-I292 PolarHBondContact N-O 2.98Å; T261-I292 PolarHBondContact OG1-N 2.92Å; T261-I292 PolarHBondContact OG1-O 2.61Å; I267-I292 HydrophobicContact CD1-CD1 4.02Å; I267-I292 HydrophobicContact CG1-CD1 4.47Å; M269-I292 HydrophobicContact SD-CD1 4.03Å; V290-I292 HydrophobicContact CG2-CD1 4.48Å; V290-I292 HydrophobicContact CG2-CG1 4.29Å; I292-S296 WeakPolarHBondContact CA-O 3.28Å; I292-W297 HydrophobicContact CG1-CB 3.99Å
293K98.3Very high98.2Very high157 Ų15745.5 Ų45.568%0.68324%0.243SC*.EExtended strand (participates in β ladder)trans-140.1133.8172.4-173174.4-177.7175.40108.8K295 S296K293-K295 VanDerWaalsContact C-N 3.26Å; K293-K295 PolarHBondContact O-N 3.37Å; K293-S296 PolarHBondContact N-O 3.15Å; K293-S296 PolarHBondContact O-N 3.49Å; K293-S296 VanDerWaalsContact O-O 3.1Å
294N96.9Very high98.2Very high144 Ų14450 Ų5077%0.7727%0.267SS*.THydrogen-bonded Turntrans51.543.4178.5-57.2-23.9000113S296N294-S296 PolarHBondContact O-N 3.32Å; N294-S296 VanDerWaalsContact O-N 3.13Å
295K97.8Very high98.2Very high74 Ų7452.4 Ų52.432%0.32228%0.279SS..THydrogen-bonded Turntrans62.613-178.1-47.6176.8-178.1-178.50115.7K125 I257 W258 K293K125-K295 WeakPolarHBondContact CE-O 3.42Å; K125-K295 PolarHBondContact NZ-O 3.21Å; I257-K295 HydrophobicContact CG2-CB 4.34Å; I257-K295 WeakPolarHBondContact O-CA 3.31Å; I257-K295 WeakPolarHBondContact O-CG 3.5Å; W258-K295 HydrophobicContact CD2-CD 4.38Å; W258-K295 VanDerWaalsContact CE2-NZ 3.3Å; W258-K295 HydrophobicContact CE3-CD 4.01Å; W258-K295 HydrophobicContact CZ3-CD 4.19Å; K293-K295 VanDerWaalsContact C-N 3.26Å; K293-K295 PolarHBondContact O-N 3.37Å
296S98Very high98.2Very high73 Ų7355 Ų5551%0.5129%0.293SS..EExtended strand (participates in β ladder)trans-111.5129.4173.2-167.30000109.7I292 K293 N294I292-S296 WeakPolarHBondContact CA-O 3.28Å; K293-S296 PolarHBondContact N-O 3.15Å; K293-S296 PolarHBondContact O-N 3.49Å; K293-S296 VanDerWaalsContact O-O 3.1Å; N294-S296 PolarHBondContact O-N 3.32Å; N294-S296 VanDerWaalsContact O-N 3.13Å
297W98.5Very high98.1Very high41 Ų4162 Ų6216%0.15533%0.33CS..EExtended strand (participates in β ladder)trans-92.7152174.358-99.4000110.4E150 V271 V290 Q291 I292 I299E150-W297 HydrophobicContact CB-CZ2 4.12Å; E150-W297 HydrophobicContact CG-CZ2 4.18Å; E150-W297 PolarHBondContact O-NE1 2.93Å; V271-W297 HydrophobicContact CB-CD2 4.25Å; V271-W297 HydrophobicContact CB-CE3 4.44Å; V271-W297 HydrophobicContact CB-CH2 3.87Å; V271-W297 HydrophobicContact CB-CZ2 3.62Å; V271-W297 HydrophobicContact CB-CZ3 4.28Å; V271-W297 HydrophobicContact CG1-CD2 3.91Å; V271-W297 HydrophobicContact CG1-CE3 4.42Å; V271-W297 HydrophobicContact CG1-CG 4.24Å; V271-W297 HydrophobicContact CG1-CZ2 4.04Å; V271-W297 HydrophobicContact CG2-CD2 4.46Å; V271-W297 HydrophobicContact CG2-CE3 4.18Å; V271-W297 HydrophobicContact CG2-CH2 3.88Å; V271-W297 HydrophobicContact CG2-CZ2 4.16Å; V271-W297 HydrophobicContact CG2-CZ3 3.9Å; V290-W297 HydrophobicContact CB-CB 4.26Å; V290-W297 HydrophobicContact CG1-CE3 4.39Å; V290-W297 HydrophobicContact CG2-CB 4.41Å; Q291-W297 CarbonylContact O-C 3.14Å; Q291-W297 VanDerWaalsContact O-CA 3.27Å; Q291-W297 WeakPolarHBondContact O-CA 3.25Å; I292-W297 HydrophobicContact CG1-CB 3.99Å; W297-I299 HydrophobicContact CE3-CG1 4.3Å; W297-I299 HydrophobicContact CZ3-CD1 4.15Å; W297-I299 HydrophobicContact CZ3-CG1 3.87Å
298K98.4Very high98.1Very high129 Ų12964.6 Ų64.656%0.56134%0.342SS*.EExtended strand (participates in β ladder)trans-131.4133.2166.5-166.5-165.3170.4-160.80108.3V290 Q291 V300 D301V290-K298 CarbonylContact C-O 3.58Å; V290-K298 VanDerWaalsContact CA-O 3.24Å; V290-K298 WeakPolarHBondContact CA-O 3.32Å; Q291-K298 PolarHBondContact N-O 3.34Å; Q291-K298 PolarHBondContact O-N 2.93Å; K298-V300 PolarHBondContact O-N 3.39Å; K298-D301 WeakPolarHBondContact CE-OD2 3.35Å; K298-D301 IonicContact NZ-OD2 3.13Å; K298-D301 PolarHBondContact NZ-OD2 3.31Å
299I98.7Very high98.1Very high12 Ų1264.6 Ų64.66%0.06234%0.342CS..EExtended strand (participates in β ladder)trans-60.8134.3168.7-66.6167.4000107.9V271 N276 Y278 F288 P289 V290 W297 D301V271-I299 HydrophobicContact CG2-CD1 4.42Å; V271-I299 HydrophobicContact CG2-CG1 4.35Å; N276-I299 HydrophobicContact CB-CD1 3.98Å; Y278-I299 HydrophobicContact CD2-CG2 4.19Å; Y278-I299 HydrophobicContact CE2-CG2 3.76Å; F288-I299 HydrophobicContact CB-CD1 4.39Å; F288-I299 HydrophobicContact CB-CG1 3.97Å; F288-I299 HydrophobicContact CB-CG2 4.26Å; F288-I299 HydrophobicContact CD1-CD1 4.21Å; F288-I299 HydrophobicContact CD1-CG2 4.13Å; F288-I299 HydrophobicContact CD2-CD1 3.84Å; F288-I299 HydrophobicContact CD2-CG1 4.3Å; F288-I299 HydrophobicContact CE2-CD1 4.12Å; F288-I299 HydrophobicContact CG-CD1 3.9Å; F288-I299 HydrophobicContact CG-CG1 4.04Å; F288-I299 HydrophobicContact CG-CG2 4.35Å; F288-I299 HydrophobicContact CZ-CD1 4.47Å; P289-I299 WeakPolarHBondContact O-CA 3.28Å; V290-I299 HydrophobicContact CG1-CG1 4.31Å; W297-I299 HydrophobicContact CE3-CG1 4.3Å; W297-I299 HydrophobicContact CZ3-CD1 4.15Å; W297-I299 HydrophobicContact CZ3-CG1 3.87Å; I299-D301 PolarHBondContact O-N 2.85Å
300V98.4Very high98.1Very high19 Ų1967.6 Ų67.612%0.11535%0.353CS..PPolyproline II helixtrans-70.7121.3173.41790000107.5F266 Y278 P289 Q291 K298 L303F266-V300 HydrophobicContact CB-CG2 3.7Å; F266-V300 HydrophobicContact CD1-CG1 4.32Å; F266-V300 HydrophobicContact CD1-CG2 3.85Å; F266-V300 HydrophobicContact CE1-CG1 4.48Å; F266-V300 HydrophobicContact CG-CG2 3.94Å; Y278-V300 WeakPolarHBondContact CE2-O 3.33Å; Y278-V300 VanDerWaalsContact CZ-O 3.26Å; Y278-V300 PolarHBondContact OH-O 2.75Å; P289-V300 HydrophobicContact CB-CB 4.24Å; P289-V300 HydrophobicContact CB-CG2 4.25Å; P289-V300 HydrophobicContact CG-CB 4.23Å; P289-V300 PolarHBondContact O-N 3.13Å; Q291-V300 HydrophobicContact CG-CG2 3.88Å; K298-V300 PolarHBondContact O-N 3.39Å; V300-L303 HydrophobicContact CB-CD1 4.48Å; V300-L303 HydrophobicContact CG1-CD1 4.13Å; V300-L303 HydrophobicContact CG1-CD2 4.09Å; V300-L303 HydrophobicContact CG1-CG 4.01Å
301D96.4Very high98.1Very high75 Ų7570.4 Ų70.440%0.40138%0.377SS..PPolyproline II helixtrans-91.8162.4178.5-54.5-56.3000111K298 I299 L303K298-D301 WeakPolarHBondContact CE-OD2 3.35Å; K298-D301 IonicContact NZ-OD2 3.13Å; K298-D301 PolarHBondContact NZ-OD2 3.31Å; I299-D301 PolarHBondContact O-N 2.85Å; D301-L303 PolarHBondContact O-N 3.48Å
302G96.1Very high98.1Very high68 Ų6870.5 Ų70.570%0.70138%0.376SS*.  trans74.218.2166.600000116.1
303L97.9Very high98.1Very high30 Ų3070.2 Ų70.216%0.15737%0.374CS..  trans-77.1129.1169.9-59.6178.5000110.3I182 W184 F266 Y278 P289 V300 D301 I305I182-L303 HydrophobicContact CD1-CD1 3.75Å; W184-L303 HydrophobicContact CZ2-CD1 4.47Å; F266-L303 HydrophobicContact CZ-CD1 4.46Å; Y278-L303 HydrophobicContact CE1-CB 4.17Å; Y278-L303 WeakPolarHBondContact OH-CB 3.34Å; Y278-L303 WeakPolarHBondContact OH-CG 3.28Å; Y278-L303 PolarHBondContact OH-N 2.87Å; P289-L303 HydrophobicContact CB-CD1 4.33Å; P289-L303 HydrophobicContact CG-CD1 3.76Å; V300-L303 HydrophobicContact CB-CD1 4.48Å; V300-L303 HydrophobicContact CG1-CD1 4.13Å; V300-L303 HydrophobicContact CG1-CD2 4.09Å; V300-L303 HydrophobicContact CG1-CG 4.01Å; D301-L303 PolarHBondContact O-N 3.48Å; L303-I305 PolarHBondContact O-N 3.03Å
304D97.9Very high98.1Very high140 Ų14066.2 Ų66.275%0.74936%0.361SS*.  trans-66.6118.4177.9-66.8-38.1000111.7H197H197-D304 PolarHBondContact CE1-O 2.97Å; H197-D304 VanDerWaalsContact CE1-O 3.23Å; H197-D304 PolarHBondContact NE2-O 3.19Å
305I98.5Very high98.2Very high52 Ų5262 Ų6227%0.26735%0.346SS..  trans-102.2112.5178.8-52.8-53.3000109.8W184 Y278 L303 R310 M313W184-I305 HydrophobicContact CZ2-CD1 4.21Å; Y278-I305 HydrophobicContact CD1-CD1 4.06Å; Y278-I305 HydrophobicContact CD1-CG1 3.83Å; Y278-I305 HydrophobicContact CE1-CD1 3.94Å; Y278-I305 HydrophobicContact CE1-CG1 4.01Å; L303-I305 PolarHBondContact O-N 3.03Å; I305-R310 HydrophobicContact CG2-CB 4.01Å; I305-M313 HydrophobicContact CD1-CE 4.45Å; I305-M313 HydrophobicContact CD1-SD 4.09Å; I305-M313 HydrophobicContact CG1-SD 4.39Å; I305-M313 HydrophobicContact CG2-SD 3.76Å
306N97.8Very high98.2Very high56 Ų5658.5 Ų58.530%0.29933%0.33SS..  trans-80.9167.417365.931.5000112.7H196 F308 S309 R310H196-N306 PolarHBondContact CD2-ND2 3.47Å; H196-N306 PolarHBondContact NE2-ND2 3.1Å; N306-F308 VanDerWaalsContact C-N 3.28Å; N306-F308 PolarHBondContact O-N 3.43Å; N306-F308 PolarHBondContact OD1-N 3.47Å; N306-S309 WeakPolarHBondContact O-CB 3.49Å; N306-S309 PolarHBondContact O-N 3.24Å; N306-S309 VanDerWaalsContact OD1-CB 3.31Å; N306-S309 WeakPolarHBondContact OD1-CB 3.48Å; N306-S309 PolarHBondContact OD1-N 3.03Å; N306-S309 PolarHBondContact OD1-OG 3.4Å; N306-R310 PolarHBondContact O-N 2.54Å
307D98.4Very high98.2Very high146 Ų14655.2 Ų55.278%0.78131%0.308SS*.Hα-helixtrans-56-39-176-62.2-15.4000113.7A311D307-A311 WeakPolarHBondContact O-CB 3.19Å; D307-A311 PolarHBondContact O-N 3.26Å
308F98.1Very high98.3Very high55 Ų5555.6 Ų55.624%0.24132%0.32CS..Hα-helixtrans-64-46.3177.4178.3-93.6000111.3Y192 R220 I224 N306 K312Y192-F308 HydrophobicContact CE2-CD1 4.47Å; Y192-F308 AromaticContact CE2-CE1 3.95Å; Y192-F308 HydrophobicContact CE2-CE1 3.95Å; R220-F308 HydrophobicContact CB-CE1 4.28Å; R220-F308 HydrophobicContact CB-CE2 4.07Å; R220-F308 HydrophobicContact CB-CZ 3.75Å; R220-F308 HydrophobicContact CG-CD1 4.39Å; R220-F308 HydrophobicContact CG-CE1 4.01Å; R220-F308 HydrophobicContact CG-CE2 4.29Å; R220-F308 HydrophobicContact CG-CZ 3.95Å; I224-F308 HydrophobicContact CD1-CE1 3.92Å; I224-F308 HydrophobicContact CD1-CZ 3.82Å; N306-F308 VanDerWaalsContact C-N 3.28Å; N306-F308 PolarHBondContact O-N 3.43Å; N306-F308 PolarHBondContact OD1-N 3.47Å; F308-K312 HydrophobicContact CE1-CG 4.21Å; F308-K312 HydrophobicContact CZ-CG 4.32Å; F308-K312 WeakPolarHBondContact O-CG 3.33Å; F308-K312 PolarHBondContact O-N 3.01Å
309S98.5Very high98.2Very high1 Ų150.4 Ų50.41%0.00730%0.297CS..Hα-helixtrans-65.1-45.4178.8-58.50000110.9Y192 H196 N306 A311 K312 M313Y192-S309 PolarHBondContact OH-OG 3.03Å; H196-S309 PolarHBondContact CE1-OG 3.38Å; H196-S309 PolarHBondContact ND1-OG 2.77Å; N306-S309 WeakPolarHBondContact O-CB 3.49Å; N306-S309 PolarHBondContact O-N 3.24Å; N306-S309 VanDerWaalsContact OD1-CB 3.31Å; N306-S309 WeakPolarHBondContact OD1-CB 3.48Å; N306-S309 PolarHBondContact OD1-N 3.03Å; N306-S309 PolarHBondContact OD1-OG 3.4Å; S309-A311 PolarHBondContact O-N 2.68Å; S309-K312 PolarHBondContact O-N 3.4Å; S309-M313 WeakPolarHBondContact O-CB 3.18Å; S309-M313 WeakPolarHBondContact O-CG 3.18Å; S309-M313 PolarHBondContact O-N 3.11Å
310R98.7Very high98.2Very high62 Ų6250 Ų5023%0.23430%0.295CS..Hα-helixtrans-54.3-52.7175.9178.564-86.3165.4-1.5111.5Y278 I305 N306 K312 M313 D314Y278-R310 PolarHBondContact O-NH1 3.23Å; I305-R310 HydrophobicContact CG2-CB 4.01Å; N306-R310 PolarHBondContact O-N 2.54Å; R310-K312 VanDerWaalsContact C-N 3.29Å; R310-K312 PolarHBondContact O-N 3.21Å; R310-M313 PolarHBondContact O-N 3.39Å; R310-M313 VanDerWaalsContact O-N 3.14Å; R310-D314 WeakPolarHBondContact CD-OD2 3.45Å; R310-D314 IonicContact CZ-OD1 3.92Å; R310-D314 IonicContact CZ-OD2 2.65Å; R310-D314 IonicContact NE-OD1 3.13Å; R310-D314 PolarHBondContact NE-OD1 2.91Å; R310-D314 VanDerWaalsContact NE-OD1 3.13Å; R310-D314 IonicContact NE-OD2 2.78Å; R310-D314 PolarHBondContact NE-OD2 3.18Å; R310-D314 VanDerWaalsContact NH2-CG 3.3Å; R310-D314 IonicContact NH2-OD1 2.61Å; R310-D314 PolarHBondContact NH2-OD1 3.15Å; R310-D314 IonicContact NH2-OD2 3.75Å; R310-D314 PolarHBondContact O-N 2.8Å; R310-D314 VanDerWaalsContact O-OD2 3.09Å
311A98.6Very high98.2Very high60 Ų6050.9 Ų50.950%0.49630%0.301SS..Hα-helixtrans-59.4-38.4-179.500000112.7D307 S309 A315D307-A311 WeakPolarHBondContact O-CB 3.19Å; D307-A311 PolarHBondContact O-N 3.26Å; S309-A311 PolarHBondContact O-N 2.68Å; A311-A315 WeakPolarHBondContact O-CB 3.42Å; A311-A315 PolarHBondContact O-N 3.18Å; A311-A315 VanDerWaalsContact O-N 3.13Å
312K98.7Very high98.3Very high80 Ų8053.5 Ų53.535%0.34831%0.311SS..Hα-helixtrans-70.1-42175.7-67.1-61.7-175.6-1760112.3Y192 F308 S309 R310 D314 A315 T316Y192-K312 HydrophobicContact CD1-CB 3.91Å; Y192-K312 HydrophobicContact CD2-CB 3.94Å; Y192-K312 HydrophobicContact CD2-CG 4.1Å; Y192-K312 HydrophobicContact CE1-CB 4.43Å; Y192-K312 HydrophobicContact CE2-CB 4.47Å; Y192-K312 HydrophobicContact CE2-CG 4.4Å; Y192-K312 HydrophobicContact CG-CB 3.64Å; Y192-K312 HydrophobicContact CG-CG 4.31Å; F308-K312 HydrophobicContact CE1-CG 4.21Å; F308-K312 HydrophobicContact CZ-CG 4.32Å; F308-K312 WeakPolarHBondContact O-CG 3.33Å; F308-K312 PolarHBondContact O-N 3.01Å; S309-K312 PolarHBondContact O-N 3.4Å; R310-K312 VanDerWaalsContact C-N 3.29Å; R310-K312 PolarHBondContact O-N 3.21Å; K312-D314 VanDerWaalsContact C-N 3.33Å; K312-D314 PolarHBondContact O-N 3.4Å; K312-A315 PolarHBondContact O-N 3.14Å; K312-T316 WeakPolarHBondContact O-CG2 3.31Å; K312-T316 PolarHBondContact O-N 2.84Å
313M98.8Very high98.3Very high0 Ų051 Ų510%028%0.28CS..Hα-helixtrans-62.3-39.9177-71168.368.300111.9W184 Y192 Y278 I280 Y286 I305 S309 R310 T316 A317W184-M313 HydrophobicContact CB-CG 4.16Å; W184-M313 HydrophobicContact CD2-CE 4.07Å; W184-M313 HydrophobicContact CD2-CG 4.31Å; W184-M313 HydrophobicContact CD2-SD 4.24Å; W184-M313 HydrophobicContact CE3-CE 3.71Å; W184-M313 HydrophobicContact CE3-SD 4.48Å; W184-M313 HydrophobicContact CG-CG 4.11Å; W184-M313 HydrophobicContact CH2-CE 4.07Å; W184-M313 HydrophobicContact CZ2-CE 4.43Å; W184-M313 HydrophobicContact CZ3-CE 3.67Å; Y192-M313 HydrophobicContact CD1-CG 4.13Å; Y278-M313 HydrophobicContact CD1-CE 4.35Å; Y278-M313 HydrophobicContact CG-CE 4.32Å; I280-M313 HydrophobicContact CD1-CB 4.39Å; I280-M313 HydrophobicContact CD1-CE 4.3Å; Y286-M313 VanDerWaalsContact OH-CA 3.31Å; Y286-M313 WeakPolarHBondContact OH-CA 3.33Å; Y286-M313 PolarHBondContact OH-O 3.47Å; I305-M313 HydrophobicContact CD1-CE 4.45Å; I305-M313 HydrophobicContact CD1-SD 4.09Å; I305-M313 HydrophobicContact CG1-SD 4.39Å; I305-M313 HydrophobicContact CG2-SD 3.76Å; S309-M313 WeakPolarHBondContact O-CB 3.18Å; S309-M313 WeakPolarHBondContact O-CG 3.18Å; S309-M313 PolarHBondContact O-N 3.11Å; R310-M313 PolarHBondContact O-N 3.39Å; R310-M313 VanDerWaalsContact O-N 3.14Å; M313-T316 VanDerWaalsContact O-CG2 3.28Å; M313-T316 WeakPolarHBondContact O-CG2 3.21Å; M313-A317 WeakPolarHBondContact O-CB 3.36Å; M313-A317 PolarHBondContact O-N 3.22Å; M313-A317 VanDerWaalsContact O-N 3.08Å
314D98.8Very high98.2Very high74 Ų7451.4 Ų51.440%0.39628%0.28SS..Hα-helixtrans-65.4-45.8174.9-73.2-37.4000112.3R310 K312 T316 A317 A318R310-D314 WeakPolarHBondContact CD-OD2 3.45Å; R310-D314 IonicContact CZ-OD1 3.92Å; R310-D314 IonicContact CZ-OD2 2.65Å; R310-D314 IonicContact NE-OD1 3.13Å; R310-D314 PolarHBondContact NE-OD1 2.91Å; R310-D314 VanDerWaalsContact NE-OD1 3.13Å; R310-D314 IonicContact NE-OD2 2.78Å; R310-D314 PolarHBondContact NE-OD2 3.18Å; R310-D314 VanDerWaalsContact NH2-CG 3.3Å; R310-D314 IonicContact NH2-OD1 2.61Å; R310-D314 PolarHBondContact NH2-OD1 3.15Å; R310-D314 IonicContact NH2-OD2 3.75Å; R310-D314 PolarHBondContact O-N 2.8Å; R310-D314 VanDerWaalsContact O-OD2 3.09Å; K312-D314 VanDerWaalsContact C-N 3.33Å; K312-D314 PolarHBondContact O-N 3.4Å; D314-T316 VanDerWaalsContact C-N 3.31Å; D314-T316 PolarHBondContact O-N 3.29Å; D314-A317 WeakPolarHBondContact O-CB 3.32Å; D314-A317 PolarHBondContact O-N 2.95Å; D314-A317 VanDerWaalsContact O-N 3.14Å; D314-A318 WeakPolarHBondContact O-CB 3.4Å; D314-A318 PolarHBondContact O-N 2.8Å
315A98.7Very high98.2Very high55 Ų5548.4 Ų48.446%0.45526%0.264SS..Hα-helixtrans-59.9-41.7-178.300000112.3A311 K312 E319A311-A315 WeakPolarHBondContact O-CB 3.42Å; A311-A315 PolarHBondContact O-N 3.18Å; A311-A315 VanDerWaalsContact O-N 3.13Å; K312-A315 PolarHBondContact O-N 3.14Å; A315-E319 PolarHBondContact O-N 3.09Å
316T98.6Very high98.1Very high0 Ų047.8 Ų47.80%026%0.263CS..Hα-helixtrans-76-28.8177-168.60000112.8N186 T190 Y286 K312 M313 D314 L320N186-T316 PolarHBondContact N-OG1 2.78Å; T190-T316 WeakPolarHBondContact O-CB 3.46Å; T190-T316 VanDerWaalsContact OG1-CB 3.31Å; T190-T316 WeakPolarHBondContact OG1-CB 3.4Å; T190-T316 PolarHBondContact OG1-OG1 2.72Å; Y286-T316 HydrophobicContact CE2-CG2 3.77Å; Y286-T316 WeakPolarHBondContact OH-CG2 3.5Å; K312-T316 WeakPolarHBondContact O-CG2 3.31Å; K312-T316 PolarHBondContact O-N 2.84Å; M313-T316 VanDerWaalsContact O-CG2 3.28Å; M313-T316 WeakPolarHBondContact O-CG2 3.21Å; D314-T316 VanDerWaalsContact C-N 3.31Å; D314-T316 PolarHBondContact O-N 3.29Å; T316-L320 PolarHBondContact O-N 3.2Å; T316-L320 VanDerWaalsContact O-N 3.15Å
317A98.8Very high97.9Very high5 Ų545.1 Ų45.14%0.04125%0.249CC..Hα-helixtrans-65.7-42.3170.900000111.5I280 Y286 M313 D314 L320 V321I280-A317 HydrophobicContact CD1-CB 4.41Å; Y286-A317 HydrophobicContact CD2-CB 4.39Å; Y286-A317 HydrophobicContact CE2-CB 3.79Å; M313-A317 WeakPolarHBondContact O-CB 3.36Å; M313-A317 PolarHBondContact O-N 3.22Å; M313-A317 VanDerWaalsContact O-N 3.08Å; D314-A317 WeakPolarHBondContact O-CB 3.32Å; D314-A317 PolarHBondContact O-N 2.95Å; D314-A317 VanDerWaalsContact O-N 3.14Å; A317-L320 PolarHBondContact O-N 3.29Å; A317-V321 WeakPolarHBondContact O-CG2 3.41Å; A317-V321 PolarHBondContact O-N 3.46Å
318A98.6Very high97.8Very high49 Ų4941.1 Ų41.141%0.40523%0.227SC..Hα-helixtrans-60.5-45.4176.500000111.8D314 L320 V321 E322D314-A318 WeakPolarHBondContact O-CB 3.4Å; D314-A318 PolarHBondContact O-N 2.8Å; A318-L320 VanDerWaalsContact C-N 3.31Å; A318-L320 PolarHBondContact O-N 3.44Å; A318-V321 PolarHBondContact O-N 3.21Å; A318-E322 WeakPolarHBondContact O-CG 3.44Å; A318-E322 PolarHBondContact O-N 2.85Å
319E98.1Very high97.6Very high19 Ų1941.6 Ų41.69%0.08923%0.232CC..Hα-helixtrans-58-43.1174.2-176-172.1-134.800111.8R98 N186 S188 T190 A315 V321 E322 E323R98-E319 IonicContact CZ-OE1 2.62Å; R98-E319 IonicContact NH1-OE1 3.17Å; R98-E319 PolarHBondContact NH1-OE1 3.02Å; R98-E319 IonicContact NH2-OE1 3.94Å; R98-E319 PolarHBondContact NH2-OE1 3.46Å; N186-E319 PolarHBondContact ND2-OE2 3.14Å; S188-E319 WeakPolarHBondContact CB-OE2 3.43Å; S188-E319 PolarHBondContact OG-OE2 2.94Å; T190-E319 HydrophobicContact CG2-CB 4.23Å; T190-E319 VanDerWaalsContact CG2-CD 3.46Å; T190-E319 HydrophobicContact CG2-CG 4.34Å; T190-E319 WeakPolarHBondContact CG2-OE2 3.38Å; T190-E319 PolarHBondContact OG1-OE2 3.49Å; A315-E319 PolarHBondContact O-N 3.09Å; E319-V321 VanDerWaalsContact C-N 3.34Å; E319-V321 PolarHBondContact O-N 3.14Å; E319-E322 PolarHBondContact O-N 3.23Å; E319-E323 PolarHBondContact O-N 3.37Å
320L98.4Very high97.3Very high4 Ų443.6 Ų43.62%0.02124%0.24CC..Hα-helixtrans-66.4-35.3179-80.6167.4000112.9N134 N186 L284 Y286 T316 A317 A318 R324N134-L320 HydrophobicContact CB-CD2 3.5Å; N134-L320 VanDerWaalsContact CB-CD2 3.5Å; N186-L320 HydrophobicContact CB-CD1 4Å; N186-L320 HydrophobicContact CB-CD2 3.9Å; N186-L320 HydrophobicContact CB-CG 3.76Å; N186-L320 VanDerWaalsContact CG-CD2 3.48Å; L284-L320 HydrophobicContact CD1-CB 4.24Å; L284-L320 HydrophobicContact CD2-CB 4.11Å; Y286-L320 HydrophobicContact CD2-CD1 3.5Å; Y286-L320 VanDerWaalsContact CD2-CD1 3.5Å; Y286-L320 HydrophobicContact CE2-CD1 4.2Å; Y286-L320 HydrophobicContact CG-CD1 4.2Å; T316-L320 PolarHBondContact O-N 3.2Å; T316-L320 VanDerWaalsContact O-N 3.15Å; A317-L320 PolarHBondContact O-N 3.29Å; A318-L320 VanDerWaalsContact C-N 3.31Å; A318-L320 PolarHBondContact O-N 3.44Å; L320-R324 VanDerWaalsContact O-CB 3.28Å; L320-R324 WeakPolarHBondContact O-CB 3.39Å; L320-R324 PolarHBondContact O-N 2.85Å
321V98.5Very high96.9Very high37 Ų3742.5 Ų42.522%0.22424%0.239CC..Hα-helixtrans-63.1-48.21731680000110.2P281 L284 A317 A318 E319 E323 R324 D325P281-V321 HydrophobicContact CG-CG2 4.37Å; L284-V321 HydrophobicContact CD1-CG2 4.06Å; L284-V321 HydrophobicContact CD2-CG2 4.14Å; A317-V321 WeakPolarHBondContact O-CG2 3.41Å; A317-V321 PolarHBondContact O-N 3.46Å; A318-V321 PolarHBondContact O-N 3.21Å; E319-V321 VanDerWaalsContact C-N 3.34Å; E319-V321 PolarHBondContact O-N 3.14Å; V321-E323 PolarHBondContact O-N 3.08Å; V321-R324 PolarHBondContact O-N 3.02Å; V321-D325 WeakPolarHBondContact O-CB 3.43Å; V321-D325 PolarHBondContact O-N 3.14Å
322E97.1Very high96.1Very high131 Ų13144.2 Ų44.261%0.61225%0.247SC*.Hα-helixtrans-60.4-44.5177.5-69.4176.6-169.400112.4A318 E319 T326A318-E322 WeakPolarHBondContact O-CG 3.44Å; A318-E322 PolarHBondContact O-N 2.85Å; E319-E322 PolarHBondContact O-N 3.23Å; E322-T326 WeakPolarHBondContact O-CB 3.48Å; E322-T326 PolarHBondContact O-N 2.88Å; E322-T326 PolarHBondContact O-OG1 3.47Å
323E96.1Very high94.3Very high14 Ų1449.9 Ų49.97%0.06527%0.272CS..Hα-helixtrans-63.8-44.3176.5-75.6-165176.300112.2R98 T135 E319 V321 T326 A327R98-E323 IonicContact CZ-OE1 2.68Å; R98-E323 IonicContact NE-OE1 2.77Å; R98-E323 IonicContact NH2-OE1 3.03Å; R98-E323 PolarHBondContact NH2-OE1 3.23Å; T135-E323 HydrophobicContact CG2-CB 4.34Å; T135-E323 WeakPolarHBondContact OG1-CB 3.49Å; T135-E323 PolarHBondContact OG1-OE2 3.13Å; E319-E323 PolarHBondContact O-N 3.37Å; V321-E323 PolarHBondContact O-N 3.08Å; E323-T326 PolarHBondContact O-N 2.94Å; E323-A327 VanDerWaalsContact O-CB 3.26Å; E323-A327 WeakPolarHBondContact O-CB 3.48Å; E323-A327 PolarHBondContact O-N 3.35Å
324R96.9Very high94Very high39 Ų3952.4 Ų52.415%0.14729%0.285CS..Hα-helixtrans-58.4-52.3176.5174.1-16371.6-163.3-0.7110.3L138 D283 L284 L320 V321 T326 A327 L328L138-R324 HydrophobicContact CD2-CB 4.12Å; L138-R324 HydrophobicContact CD2-CG 3.62Å; D283-R324 VanDerWaalsContact O-CD 3.25Å; D283-R324 WeakPolarHBondContact O-CD 3.39Å; D283-R324 PolarHBondContact O-NH1 3.26Å; L284-R324 HydrophobicContact CD2-CB 4.38Å; L320-R324 VanDerWaalsContact O-CB 3.28Å; L320-R324 WeakPolarHBondContact O-CB 3.39Å; L320-R324 PolarHBondContact O-N 2.85Å; V321-R324 PolarHBondContact O-N 3.02Å; R324-T326 VanDerWaalsContact C-N 3.28Å; R324-T326 PolarHBondContact O-N 3.21Å; R324-A327 PolarHBondContact O-N 2.95Å; R324-A327 VanDerWaalsContact O-N 3.13Å; R324-L328 HydrophobicContact CG-CD1 3.82Å; R324-L328 HydrophobicContact CG-CG 4.23Å; R324-L328 WeakPolarHBondContact O-CG 3.46Å; R324-L328 PolarHBondContact O-N 3.46Å
325D97.1Very high93.8Very high77 Ų7751.2 Ų51.241%0.41228%0.28SS..Hα-helixtrans-63.4-40.6-174.3-66.8-10.2000110.4V321 L328 D329V321-D325 WeakPolarHBondContact O-CB 3.43Å; V321-D325 PolarHBondContact O-N 3.14Å; D325-L328 PolarHBondContact O-N 3.05Å; D325-D329 WeakPolarHBondContact O-CB 3.31Å; D325-D329 PolarHBondContact O-N 2.93Å
326T95.9Very high93.5Very high40 Ų4051 Ų5125%0.24527%0.27CS..Hα-helixtrans-62-45.1173.2-55.80000111.9L102 E322 E323 R324 D329 F330L102-T326 HydrophobicContact CD2-CG2 3.8Å; E322-T326 WeakPolarHBondContact O-CB 3.48Å; E322-T326 PolarHBondContact O-N 2.88Å; E322-T326 PolarHBondContact O-OG1 3.47Å; E323-T326 PolarHBondContact O-N 2.94Å; R324-T326 VanDerWaalsContact C-N 3.28Å; R324-T326 PolarHBondContact O-N 3.21Å; T326-D329 PolarHBondContact O-N 3.29Å; T326-F330 HydrophobicContact CG2-CD2 4.13Å; T326-F330 HydrophobicContact CG2-CE1 4.45Å; T326-F330 HydrophobicContact CG2-CE2 3.46Å; T326-F330 VanDerWaalsContact CG2-CE2 3.46Å; T326-F330 HydrophobicContact CG2-CZ 3.65Å; T326-F330 VanDerWaalsContact O-CD2 3.28Å; T326-F330 WeakPolarHBondContact O-CD2 3.5Å; T326-F330 WeakPolarHBondContact O-CG 3.47Å; T326-F330 PolarHBondContact O-N 2.86Å; T326-F330 VanDerWaalsContact O-N 3.15Å
327A95.5Very high93.2Very high0 Ų054 Ų540%029%0.286CS..Hα-helixtrans-64.3-41179.200000112.2L102 V106 T135 I139 E323 R324 F330 L331L102-A327 HydrophobicContact CD1-CB 4.47Å; V106-A327 HydrophobicContact CG1-CB 4.17Å; V106-A327 HydrophobicContact CG2-CB 3.72Å; T135-A327 HydrophobicContact CG2-CB 3.68Å; I139-A327 HydrophobicContact CD1-CB 4.29Å; I139-A327 HydrophobicContact CG1-CB 4.43Å; E323-A327 VanDerWaalsContact O-CB 3.26Å; E323-A327 WeakPolarHBondContact O-CB 3.48Å; E323-A327 PolarHBondContact O-N 3.35Å; R324-A327 PolarHBondContact O-N 2.95Å; R324-A327 VanDerWaalsContact O-N 3.13Å; A327-F330 PolarHBondContact O-N 2.99Å; A327-L331 WeakPolarHBondContact O-CG 3.41Å; A327-L331 PolarHBondContact O-N 2.89Å
328L94.8Very high92.9Very high61 Ų6157.1 Ų57.132%0.31930%0.301SS..Hα-helixtrans-67.4-42.3178.1-68.1177.8000111.6I139 K142 R324 D325 F330 L331 S332I139-L328 HydrophobicContact CD1-CD2 3.95Å; K142-L328 HydrophobicContact CD-CD2 4.16Å; R324-L328 HydrophobicContact CG-CD1 3.82Å; R324-L328 HydrophobicContact CG-CG 4.23Å; R324-L328 WeakPolarHBondContact O-CG 3.46Å; R324-L328 PolarHBondContact O-N 3.46Å; D325-L328 PolarHBondContact O-N 3.05Å; L328-F330 VanDerWaalsContact C-N 3.28Å; L328-F330 PolarHBondContact O-N 3.21Å; L328-L331 PolarHBondContact O-N 2.76Å; L328-S332 PolarHBondContact O-N 3.02Å; L328-S332 PolarHBondContact O-OG 2.78Å
329D94.9Very high92.5Very high66 Ų6657.6 Ų57.635%0.35329%0.294SS..Hα-helixtrans-59-39.1175176.763.4000112.1D325 T326 L331 S332 K333D325-D329 WeakPolarHBondContact O-CB 3.31Å; D325-D329 PolarHBondContact O-N 2.93Å; T326-D329 PolarHBondContact O-N 3.29Å; D329-L331 VanDerWaalsContact C-N 3.28Å; D329-L331 PolarHBondContact O-N 3.25Å; D329-S332 WeakPolarHBondContact CA-OG 3.46Å; D329-S332 PolarHBondContact O-OG 2.61Å; D329-K333 WeakPolarHBondContact O-CG 3.5Å; D329-K333 WeakPolarHBondContact OD1-CE 3.43Å; D329-K333 IonicContact OD1-NZ 2.65Å; D329-K333 PolarHBondContact OD1-NZ 3.13Å; D329-K333 IonicContact OD2-NZ 3.09Å; D329-K333 PolarHBondContact OD2-NZ 3.4Å
330F92.7Very high92.1Very high42 Ų4260.4 Ų60.418%0.18431%0.309CS..Hα-helixtrans-66.8-26.8174.8-67.5-31000114.2K99 L102 K103 T326 A327 L328K99-F330 HydrophobicContact CB-CZ 4.29Å; L102-F330 HydrophobicContact CD2-CE2 4.34Å; K103-F330 HydrophobicContact CB-CD2 3.64Å; K103-F330 HydrophobicContact CB-CE2 3.74Å; K103-F330 HydrophobicContact CB-CG 4.15Å; K103-F330 HydrophobicContact CB-CZ 4.36Å; K103-F330 HydrophobicContact CD-CD1 4.15Å; K103-F330 HydrophobicContact CD-CD2 4.49Å; K103-F330 HydrophobicContact CD-CE1 4.4Å; K103-F330 HydrophobicContact CD-CG 4.2Å; K103-F330 HydrophobicContact CG-CB 4.24Å; K103-F330 HydrophobicContact CG-CD1 4.46Å; K103-F330 HydrophobicContact CG-CD2 4.02Å; K103-F330 HydrophobicContact CG-CE2 4.46Å; K103-F330 HydrophobicContact CG-CG 4.01Å; T326-F330 HydrophobicContact CG2-CD2 4.13Å; T326-F330 HydrophobicContact CG2-CE1 4.45Å; T326-F330 HydrophobicContact CG2-CE2 3.46Å; T326-F330 VanDerWaalsContact CG2-CE2 3.46Å; T326-F330 HydrophobicContact CG2-CZ 3.65Å; T326-F330 VanDerWaalsContact O-CD2 3.28Å; T326-F330 WeakPolarHBondContact O-CD2 3.5Å; T326-F330 WeakPolarHBondContact O-CG 3.47Å; T326-F330 PolarHBondContact O-N 2.86Å; T326-F330 VanDerWaalsContact O-N 3.15Å; A327-F330 PolarHBondContact O-N 2.99Å; L328-F330 VanDerWaalsContact C-N 3.28Å; L328-F330 PolarHBondContact O-N 3.21Å
331L88.8Confident91.6Very high40 Ų4064.7 Ų64.721%0.20933%0.331CS..Hα-helixtrans-92.7-17.3-177.8-71.7-177.9000113.9V106 K110 I139 A327 L328 D329V106-L331 HydrophobicContact CG1-CD1 3.54Å; V106-L331 HydrophobicContact CG1-CD2 3.76Å; V106-L331 HydrophobicContact CG1-CG 3.55Å; K110-L331 HydrophobicContact CB-CD2 4.43Å; K110-L331 HydrophobicContact CD-CD1 4.11Å; K110-L331 HydrophobicContact CD-CD2 3.53Å; K110-L331 HydrophobicContact CD-CG 4.33Å; I139-L331 HydrophobicContact CD1-CD1 3.75Å; I139-L331 HydrophobicContact CG1-CD1 4.3Å; I139-L331 HydrophobicContact CG2-CD1 3.73Å; A327-L331 WeakPolarHBondContact O-CG 3.41Å; A327-L331 PolarHBondContact O-N 2.89Å; L328-L331 PolarHBondContact O-N 2.76Å; D329-L331 VanDerWaalsContact C-N 3.28Å; D329-L331 PolarHBondContact O-N 3.25Å
332S82.5Confident91Very high95 Ų9567 Ų6766%0.66434%0.34SS*.Hα-helixtrans-85.6-14.2174.554.80000113.8L328 D329L328-S332 PolarHBondContact O-N 3.02Å; L328-S332 PolarHBondContact O-OG 2.78Å; D329-S332 WeakPolarHBondContact CA-OG 3.46Å; D329-S332 PolarHBondContact O-OG 2.61Å
333K60.2Low90.5Very high199 Ų19961.2 Ų61.287%0.86532%0.315SS*.  trans-93.10175.1-70.3171-179.8162.40110.7D329D329-K333 WeakPolarHBondContact O-CG 3.5Å; D329-K333 WeakPolarHBondContact OD1-CE 3.43Å; D329-K333 IonicContact OD1-NZ 2.65Å; D329-K333 PolarHBondContact OD1-NZ 3.13Å; D329-K333 IonicContact OD2-NZ 3.09Å; D329-K333 PolarHBondContact OD2-NZ 3.4Å

Retrieved 333 of 333 residues in 726.2 ms (Link to these results)

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