A0A087XM80_POEFO Loading...

Sepiapterin reductase

AlphaFold DB , UniProt , Accession A0A087XM80, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 273 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
1P38.3Very low39.2Very low182 Ų182144.1 Ų144.1100%1.18283%0.825SS**  087.6025.8-2.2000110.7
2R35.5Very low41.6Very low247 Ų247139.4 Ų139.493%0.93282%0.817SS**  trans-106.2109.7168.9-79.3-176.3177177.4-0.9106.7S4R2-S4 PolarHBondContact O-N 3.13Å
3S39.7Very low45Very low109 Ų109134.2 Ų134.276%0.76280%0.799SS**  trans-66114.1175.447.20000109.8I5S3-I5 PolarHBondContact O-N 3.19Å
4S38.6Very low48.5Very low120 Ų120129.4 Ų129.484%0.83977%0.768SS**  trans-68.7103.6167.56.10000108.6R2 G6R2-S4 PolarHBondContact O-N 3.13Å; S4-G6 PolarHBondContact O-N 3.36Å; S4-G6 VanDerWaalsContact O-N 3.13Å
5I41.2Very low51.8Low150 Ų150120.9 Ų120.977%0.76972%0.717SS**  trans-70.8102164.3-62169.8000105.4S3 L7S3-I5 PolarHBondContact O-N 3.19Å; I5-L7 PolarHBondContact O-N 3.21Å
6G36.3Very low54.6Low58 Ų58113.5 Ų113.560%0.59867%0.674SS**  trans-60117.4169.900000108.4S4 I8S4-G6 PolarHBondContact O-N 3.36Å; S4-G6 VanDerWaalsContact O-N 3.13Å; G6-I8 PolarHBondContact O-N 3.03Å
7L36.3Very low57.1Low161 Ų161110.4 Ų110.484%0.84365%0.647SS**  trans-59.1106.4164.4-10387.3000106.9I5 M9I5-L7 PolarHBondContact O-N 3.21Å; L7-M9 VanDerWaalsContact C-N 3.35Å; L7-M9 PolarHBondContact O-N 2.97Å
8I39.5Very low59.4Low164 Ų164104.2 Ų104.284%0.84161%0.611SS**  trans-67102.5163.2-61.6173000104.8G6G6-I8 PolarHBondContact O-N 3.03Å
9M31.7Very low61.5Low162 Ų16298.7 Ų98.780%0.79858%0.579SS**PPolyproline II helixtrans-58.8137.4168.4-70.3-167.1134.800107.8L7L7-M9 VanDerWaalsContact C-N 3.35Å; L7-M9 PolarHBondContact O-N 2.97Å
10P41.9Very low63.4Low114 Ų11493.8 Ų93.874%0.7455%0.55SS**PPolyproline II helixtrans-55.1143.2171.923.7-31.2000108.6A12P10-A12 PolarHBondContact O-N 3.4Å
11P52.1Low65.1Low118 Ų11889.3 Ų89.377%0.76652%0.524SS*.PPolyproline II helixtrans-53.6133.4173.720.9-29.4000108.5A13P11-A13 PolarHBondContact O-N 3.23Å
12A67.9Low67.9Low88 Ų8880.7 Ų80.773%0.72747%0.468SS*.PPolyproline II helixtrans-53.7137.5173.600000108.5P10 D14P10-A12 PolarHBondContact O-N 3.4Å; A12-D14 PolarHBondContact O-N 3.26Å
13A85.8Confident71Confident71 Ų7169.1 Ų69.159%0.58743%0.425SS*.PPolyproline II helixtrans-59.3127.3179.700000109.8P11 L258P11-A13 PolarHBondContact O-N 3.23Å; A13-L258 HydrophobicContact CB-CD1 4.5Å; A13-L258 HydrophobicContact CB-CD2 4.19Å
14D94.8Very high73.7Confident68 Ų6864.8 Ų64.836%0.36440%0.398SS..  trans-129.2173.1-179.275.243.1000111.3A12 G16 L40 Q42A12-D14 PolarHBondContact O-N 3.26Å; D14-G16 WeakPolarHBondContact OD1-CA 3.45Å; D14-G16 PolarHBondContact OD1-N 3.12Å; D14-L40 WeakPolarHBondContact CB-O 3.45Å; D14-Q42 PolarHBondContact OD2-NE2 2.97Å
15L96.7Very high76.6Confident2 Ų259.1 Ų59.11%0.0136%0.358CS..  trans-96.32.9-179.5-65.6174.5000113.4L37 L40 V41 K106 I108 L257 L258L15-L37 HydrophobicContact CD1-CD2 3.44Å; L15-L37 VanDerWaalsContact CD1-CD2 3.44Å; L15-L40 HydrophobicContact CD1-CB 4.02Å; L15-L40 HydrophobicContact CG-CB 4.14Å; L15-L40 PolarHBondContact N-O 3.06Å; L15-V41 HydrophobicContact CB-CG1 4.4Å; L15-K106 WeakPolarHBondContact O-CE 3.19Å; L15-K106 PolarHBondContact O-NZ 3.12Å; L15-I108 HydrophobicContact CD1-CD1 4.05Å; L15-L257 HydrophobicContact CD2-CB 4.05Å; L15-L258 HydrophobicContact CD2-CD2 3.91Å; L15-L258 HydrophobicContact CD2-CG 4.45Å; L15-L258 HydrophobicContact CG-CD2 4.07Å
16G96.8Very high79.2Confident2 Ų252.7 Ų52.72%0.02133%0.326CS..  trans73.4-163.2-17300000113.2D14 Q42D14-G16 WeakPolarHBondContact OD1-CA 3.45Å; D14-G16 PolarHBondContact OD1-N 3.12Å; G16-Q42 PolarHBondContact O-N 2.98Å
17R98.1Very high82Confident60 Ų6056.5 Ų56.523%0.22632%0.323CS..SBendtrans-78.3118.5168.5-72.5-175.9-61.5-67.8-10.5109.5Q42 P43 S45 E103 E105 K106R17-Q42 HydrophobicContact CG-CB 3.84Å; R17-P43 WeakPolarHBondContact CD-O 3.23Å; R17-P43 WeakPolarHBondContact CG-O 3.44Å; R17-S45 WeakPolarHBondContact CA-OG 2.9Å; R17-E103 PolarHBondContact NE-O 2.96Å; R17-E103 PolarHBondContact NH2-O 3.2Å; R17-E105 IonicContact CZ-OE1 3.4Å; R17-E105 IonicContact NH1-OE1 3.84Å; R17-E105 IonicContact NH2-OE1 3.72Å; R17-E105 PolarHBondContact NH2-OE1 2.93Å; R17-E105 PolarHBondContact O-N 3.11Å; R17-K106 PolarHBondContact O-N 3.15Å
18A98.4Very high84.9Confident0 Ų050.4 Ų50.40%030%0.298CS..EExtended strand (participates in β ladder)trans-134.6148.4-17100000113.4V41 S45 A46 K106A18-V41 HydrophobicContact CB-CG1 4.12Å; A18-S45 PolarHBondContact N-OG 2.91Å; A18-S45 CarbonylContact O-C 3.57Å; A18-S45 VanDerWaalsContact O-CA 3.29Å; A18-S45 WeakPolarHBondContact O-CA 3.46Å; A18-S45 WeakPolarHBondContact O-CB 3.38Å; A18-A46 PolarHBondContact O-N 3.14Å; A18-K106 CarbonylContact C-O 3.49Å; A18-K106 WeakPolarHBondContact CA-O 3.33Å; A18-K106 HydrophobicContact CB-CB 3.99Å
19L98.8Very high87.8Confident0 Ų043.1 Ų43.10%026%0.26CS..EExtended strand (participates in β ladder)trans-94.8116.3158.3176.159.5000109.1V21 A46 V48 V99 F100 M104 K106 I107 I108 F154L19-V21 HydrophobicContact CG-CG2 4.24Å; L19-A46 WeakPolarHBondContact CA-O 3.42Å; L19-A46 HydrophobicContact CD1-CB 3.97Å; L19-V48 HydrophobicContact CD1-CG2 3.99Å; L19-V99 HydrophobicContact CD1-CG2 3.63Å; L19-F100 HydrophobicContact CB-CD2 4.17Å; L19-F100 HydrophobicContact CD2-CB 4.23Å; L19-F100 HydrophobicContact CD2-CD2 4.01Å; L19-M104 HydrophobicContact CB-SD 3.78Å; L19-K106 PolarHBondContact N-O 3.2Å; L19-I107 HydrophobicContact CB-CD1 3.72Å; L19-I107 HydrophobicContact CD2-CD1 4Å; L19-I107 HydrophobicContact CG-CD1 4.36Å; L19-I107 CarbonylContact O-C 3.46Å; L19-I107 WeakPolarHBondContact O-CA 3.42Å; L19-I108 PolarHBondContact O-N 3.08Å; L19-F154 HydrophobicContact CD2-CE1 4.22Å; L19-F154 HydrophobicContact CD2-CE2 3.96Å; L19-F154 HydrophobicContact CD2-CZ 3.67Å
20C98.9Very high91Very high0 Ų035.4 Ų35.40%022%0.222CC..EExtended strand (participates in β ladder)trans-110.3118.4178-650000110.3L37 A46 L47 V48 I108C20-L37 HydrophobicContact CB-CD1 4.24Å; C20-A46 PolarHBondContact N-O 3.49Å; C20-L47 HydrophobicContact CB-CD1 3.79Å; C20-L47 HydrophobicContact CB-CG 3.91Å; C20-L47 CarbonylContact O-C 3.27Å; C20-L47 WeakPolarHBondContact O-CA 3.43Å; C20-V48 PolarHBondContact O-N 2.79Å; C20-I108 CarbonylContact C-O 3.54Å; C20-I108 WeakPolarHBondContact CA-O 3.44Å
21V98.9Very high93.7Very high0 Ų033.4 Ų33.40%020%0.2CC..EExtended strand (participates in β ladder)trans-108.8120.5176.8-174.90000109L19 V48 V50 I92 I108 L109 I110 L150L19-V21 HydrophobicContact CG-CG2 4.24Å; V21-V48 HydrophobicContact CG1-CB 4.42Å; V21-V48 HydrophobicContact CG2-CB 4.26Å; V21-V50 HydrophobicContact CG1-CG2 4.45Å; V21-I92 HydrophobicContact CG1-CG2 3.79Å; V21-I108 PolarHBondContact N-O 2.92Å; V21-L109 HydrophobicContact CB-CD1 3.91Å; V21-L109 HydrophobicContact CG1-CD1 3.95Å; V21-I110 PolarHBondContact O-N 3.38Å; V21-L150 HydrophobicContact CG2-CD1 4.11Å; V21-L150 HydrophobicContact CG2-CD2 4.18Å
22I98.9Very high95.9Very high0 Ų027.9 Ų27.90%017%0.165CC..EExtended strand (participates in β ladder)trans-126.1115.5-171.6-50.9166.9000109.7A25 V33 A34 L37 L47 V48 L49 V50 I110I22-A25 HydrophobicContact CB-CB 4.17Å; I22-A25 HydrophobicContact CG2-CB 3.94Å; I22-V33 HydrophobicContact CD1-CG1 4.41Å; I22-A34 HydrophobicContact CD1-CB 3.73Å; I22-L37 HydrophobicContact CD1-CD1 3.78Å; I22-L37 HydrophobicContact CG1-CD1 4.32Å; I22-L47 HydrophobicContact CD1-CD2 4.23Å; I22-L47 HydrophobicContact CD1-CG 4.46Å; I22-V48 PolarHBondContact N-O 2.93Å; I22-L49 HydrophobicContact CB-CD2 4.5Å; I22-L49 HydrophobicContact CD1-CD2 4.09Å; I22-V50 PolarHBondContact O-N 2.99Å; I22-I110 HydrophobicContact CG1-CB 4.35Å; I22-I110 HydrophobicContact CG1-CG1 4.1Å; I22-I110 HydrophobicContact CG2-CB 4.25Å
23T98.8Very high97.3Very high4 Ų423.7 Ų23.73%0.02513%0.13CC..EExtended strand (participates in β ladder)trans-88.5146.5174.160.50000111.7A25 V50 V83 I110 N112 A113 L146T23-A25 VanDerWaalsContact C-N 3.28Å; T23-A25 PolarHBondContact O-N 3.45Å; T23-V50 CarbonylContact C-O 3.53Å; T23-V50 HydrophobicContact CG2-CB 4.24Å; T23-V83 HydrophobicContact CG2-CG1 4.19Å; T23-I110 PolarHBondContact N-O 3.49Å; T23-I110 VanDerWaalsContact N-O 3.08Å; T23-I110 PolarHBondContact OG1-O 3.32Å; T23-I110 VanDerWaalsContact OG1-O 3.09Å; T23-N112 WeakPolarHBondContact O-CB 3.47Å; T23-N112 PolarHBondContact O-ND2 3.33Å; T23-N112 PolarHBondContact OG1-N 3.43Å; T23-A113 PolarHBondContact O-N 2.93Å; T23-A113 PolarHBondContact OG1-N 2.94Å; T23-L146 HydrophobicContact CG2-CD2 3.49Å; T23-L146 VanDerWaalsContact CG2-CD2 3.49Å
24G98.2Very high98Very high19 Ų1920.3 Ų20.320%0.19610%0.102CC..THydrogen-bonded Turntrans66.730.2-174.200000113S26 V50 N112G24-S26 VanDerWaalsContact C-N 3.27Å; G24-S26 PolarHBondContact O-N 3.05Å; G24-V50 WeakPolarHBondContact CA-O 3.13Å; G24-V50 PolarHBondContact N-O 2.97Å; G24-N112 PolarHBondContact O-ND2 2.93Å
25A98.3Very high98.1Very high0 Ų018 Ų180%09%0.089CC..THydrogen-bonded Turntrans-75.9-9-172.700000114.7I22 T23 R27 R31 L49 V50 L57I22-A25 HydrophobicContact CB-CB 4.17Å; I22-A25 HydrophobicContact CG2-CB 3.94Å; T23-A25 VanDerWaalsContact C-N 3.28Å; T23-A25 PolarHBondContact O-N 3.45Å; A25-R27 PolarHBondContact O-N 3.27Å; A25-R31 WeakPolarHBondContact O-CA 3.08Å; A25-R31 WeakPolarHBondContact O-CB 3.28Å; A25-L49 HydrophobicContact CB-CB 3.85Å; A25-L49 HydrophobicContact CB-CD2 4.01Å; A25-L49 HydrophobicContact CB-CG 4.42Å; A25-V50 PolarHBondContact N-O 2.89Å; A25-V50 VanDerWaalsContact N-O 3.14Å; A25-L57 HydrophobicContact CB-CD2 4.24Å
26S97Very high98.2Very high15 Ų1518.9 Ų18.911%0.1059%0.094CC..THydrogen-bonded Turntrans-74.1-25.5-172.670.40000114.1G24G24-S26 VanDerWaalsContact C-N 3.27Å; G24-S26 PolarHBondContact O-N 3.05Å
27R95.3Very high98.3Very high139 Ų13918.8 Ų18.853%0.5259%0.093SC..SBendtrans-152.3167.3-173.9-64.8-175.6-67.7113.83.1111.3A25A25-R27 PolarHBondContact O-N 3.27Å
28G97.4Very high98.3Very high32 Ų3216.2 Ų16.233%0.338%0.084SC..Hα-helixtrans58-140171.400000112.9G30 R31 A32 C246G28-G30 PolarHBondContact O-N 2.91Å; G28-R31 PolarHBondContact O-N 2.81Å; G28-A32 PolarHBondContact O-N 2.73Å; G28-C246 VanDerWaalsContact C-SG 3.52Å
29F98.7Very high98.2Very high11 Ų1124.5 Ų24.55%0.04812%0.116CC..Hα-helixtrans-58.8-43.1-174.3-169.3-115.3000113.4R31 A32 V33 V167 Y208 P210 L213 C246 L253F29-R31 VanDerWaalsContact C-N 3.3Å; F29-R31 PolarHBondContact O-N 2.67Å; F29-A32 PolarHBondContact O-N 2.69Å; F29-A32 VanDerWaalsContact O-N 3.14Å; F29-V33 HydrophobicContact CD1-CG2 4.01Å; F29-V33 HydrophobicContact CD2-CG2 4.45Å; F29-V33 HydrophobicContact CE1-CG2 3.63Å; F29-V33 HydrophobicContact CE2-CG2 4.12Å; F29-V33 HydrophobicContact CG-CG2 4.4Å; F29-V33 HydrophobicContact CZ-CG2 3.68Å; F29-V33 WeakPolarHBondContact O-CG2 3.44Å; F29-V33 PolarHBondContact O-N 3.11Å; F29-V167 HydrophobicContact CD1-CG1 4.02Å; F29-V167 HydrophobicContact CD1-CG2 4.16Å; F29-V167 HydrophobicContact CE1-CG1 4.15Å; F29-V167 HydrophobicContact CE1-CG2 3.95Å; F29-Y208 HydrophobicContact CE1-CD1 4.36Å; F29-Y208 HydrophobicContact CE1-CE1 4.39Å; F29-Y208 HydrophobicContact CE2-CE1 4.37Å; F29-Y208 HydrophobicContact CZ-CD1 4.05Å; F29-Y208 AromaticContact CZ-CE1 3.66Å; F29-Y208 HydrophobicContact CZ-CE1 3.66Å; F29-P210 HydrophobicContact CD2-CB 4.28Å; F29-P210 HydrophobicContact CE1-CB 4.29Å; F29-P210 HydrophobicContact CE2-CB 4.02Å; F29-P210 HydrophobicContact CZ-CB 4.05Å; F29-L213 HydrophobicContact CB-CD1 3.61Å; F29-L213 HydrophobicContact CD2-CD1 3.61Å; F29-L213 HydrophobicContact CG-CD1 3.8Å; F29-C246 PolarHBondContact N-SG 3.15Å; F29-L253 HydrophobicContact CE1-CD2 4.21Å; F29-L253 HydrophobicContact CZ-CD2 4.02Å
30G98.6Very high98.1Very high0 Ų026.2 Ų26.20%013%0.125CC..Hα-helixtrans-61.6-35.6179.200000113.5G28 A34 N112G28-G30 PolarHBondContact O-N 2.91Å; G30-A34 PolarHBondContact O-N 2.92Å; G30-A34 VanDerWaalsContact O-N 3.09Å; G30-N112 WeakPolarHBondContact CA-ND2 3.2Å
31R98.6Very high98.1Very high73 Ų7326.9 Ų26.928%0.27513%0.129SC..Hα-helixtrans-66.6-46.1173.3179.7179.6173.3-81.4-1111.1A25 G28 F29 V33 A34 L35 V60 E63A25-R31 WeakPolarHBondContact O-CA 3.08Å; A25-R31 WeakPolarHBondContact O-CB 3.28Å; G28-R31 PolarHBondContact O-N 2.81Å; F29-R31 VanDerWaalsContact C-N 3.3Å; F29-R31 PolarHBondContact O-N 2.67Å; R31-V33 VanDerWaalsContact C-N 3.32Å; R31-V33 PolarHBondContact O-N 3.11Å; R31-A34 PolarHBondContact O-N 3.29Å; R31-L35 HydrophobicContact CG-CD1 4.25Å; R31-L35 WeakPolarHBondContact O-CG 3.09Å; R31-L35 PolarHBondContact O-N 2.85Å; R31-L35 VanDerWaalsContact O-N 3.09Å; R31-V60 HydrophobicContact CG-CG1 4.37Å; R31-V60 HydrophobicContact CG-CG2 3.85Å; R31-E63 IonicContact CZ-OE2 2.72Å; R31-E63 IonicContact NE-OE2 3.61Å; R31-E63 IonicContact NH2-OE1 3.54Å; R31-E63 PolarHBondContact NH2-OE1 2.94Å; R31-E63 IonicContact NH2-OE2 2.88Å; R31-E63 PolarHBondContact NH2-OE2 3.03Å
32A98.8Very high98Very high2 Ų230 Ų302%0.01714%0.143CC..Hα-helixtrans-60.4-43.4178.100000111.6G28 F29 A34 L35 D36 C246G28-A32 PolarHBondContact O-N 2.73Å; F29-A32 PolarHBondContact O-N 2.69Å; F29-A32 VanDerWaalsContact O-N 3.14Å; A32-A34 VanDerWaalsContact C-N 3.33Å; A32-A34 PolarHBondContact O-N 2.91Å; A32-L35 PolarHBondContact O-N 3.19Å; A32-D36 PolarHBondContact O-N 2.78Å; A32-C246 HydrophobicContact CB-CB 3.59Å
33V98.9Very high97.9Very high0 Ų033.9 Ų33.90%017%0.168CC..Hα-helixtrans-60.1-41175.2170.30000111.9I22 F29 R31 D36 L37 I110 S250 L253 M254I22-V33 HydrophobicContact CD1-CG1 4.41Å; F29-V33 HydrophobicContact CD1-CG2 4.01Å; F29-V33 HydrophobicContact CD2-CG2 4.45Å; F29-V33 HydrophobicContact CE1-CG2 3.63Å; F29-V33 HydrophobicContact CE2-CG2 4.12Å; F29-V33 HydrophobicContact CG-CG2 4.4Å; F29-V33 HydrophobicContact CZ-CG2 3.68Å; F29-V33 WeakPolarHBondContact O-CG2 3.44Å; F29-V33 PolarHBondContact O-N 3.11Å; R31-V33 VanDerWaalsContact C-N 3.32Å; R31-V33 PolarHBondContact O-N 3.11Å; V33-D36 PolarHBondContact O-N 3.48Å; V33-L37 HydrophobicContact CG1-CD1 3.66Å; V33-L37 HydrophobicContact CG1-CG 4.19Å; V33-L37 VanDerWaalsContact O-CB 3.27Å; V33-L37 WeakPolarHBondContact O-CB 3.48Å; V33-L37 VanDerWaalsContact O-CG 3.32Å; V33-L37 WeakPolarHBondContact O-CG 3.46Å; V33-L37 PolarHBondContact O-N 3.2Å; V33-I110 HydrophobicContact CG1-CG1 4.18Å; V33-S250 WeakPolarHBondContact CA-OG 3.22Å; V33-L253 HydrophobicContact CG2-CD2 4.09Å; V33-M254 HydrophobicContact CG1-CE 4.21Å
34A98.8Very high97.8Very high0 Ų034.8 Ų34.80%018%0.178CC..Hα-helixtrans-63.4-41.3176.500000112.5I22 G30 R31 A32 C38 L47 L49 L64I22-A34 HydrophobicContact CD1-CB 3.73Å; G30-A34 PolarHBondContact O-N 2.92Å; G30-A34 VanDerWaalsContact O-N 3.09Å; R31-A34 PolarHBondContact O-N 3.29Å; A32-A34 VanDerWaalsContact C-N 3.33Å; A32-A34 PolarHBondContact O-N 2.91Å; A34-C38 PolarHBondContact O-N 2.66Å; A34-C38 VanDerWaalsContact O-N 3.15Å; A34-L47 HydrophobicContact CB-CD2 4.23Å; A34-L49 HydrophobicContact CB-CD2 3.91Å; A34-L64 HydrophobicContact CB-CD1 4.26Å
35L98.6Very high97.8Very high18 Ų1833.9 Ų33.99%0.09417%0.169CC..Hα-helixtrans-69-33.5178.3-67.4171.7000113.2R31 A32 C38 E63 L64R31-L35 HydrophobicContact CG-CD1 4.25Å; R31-L35 WeakPolarHBondContact O-CG 3.09Å; R31-L35 PolarHBondContact O-N 2.85Å; R31-L35 VanDerWaalsContact O-N 3.09Å; A32-L35 PolarHBondContact O-N 3.19Å; L35-C38 PolarHBondContact O-SG 3.4Å; L35-E63 HydrophobicContact CD2-CG 4.09Å; L35-L64 HydrophobicContact CD2-CD2 3.78Å; L35-L64 HydrophobicContact CD2-CG 4.35Å
36D98.4Very high97.9Very high22 Ų2233.9 Ų33.912%0.11817%0.169CC..Hα-helixtrans-79.5-41.9176.4-72-27.1000111.7A32 V33 C38 R39 S250 M254A32-D36 PolarHBondContact O-N 2.78Å; V33-D36 PolarHBondContact O-N 3.48Å; D36-C38 VanDerWaalsContact C-N 3.28Å; D36-C38 PolarHBondContact O-N 2.74Å; D36-R39 WeakPolarHBondContact O-CB 3.32Å; D36-R39 PolarHBondContact O-N 3.25Å; D36-R39 VanDerWaalsContact O-N 3.14Å; D36-R39 IonicContact OD1-NH1 2.6Å; D36-R39 PolarHBondContact OD1-NH1 2.79Å; D36-S250 WeakPolarHBondContact OD2-CB 3.35Å; D36-S250 PolarHBondContact OD2-OG 3.27Å; D36-M254 HydrophobicContact CB-CG 3.7Å; D36-M254 HydrophobicContact CB-SD 4.16Å
37L98.3Very high98Very high0 Ų033.1 Ų33.10%016%0.164CC..Hα-helixtrans-58.5-39.8176.9-81172.8000111.9L15 C20 I22 V33 R39 L40 V41 I108 I110 M254 L257L15-L37 HydrophobicContact CD1-CD2 3.44Å; L15-L37 VanDerWaalsContact CD1-CD2 3.44Å; C20-L37 HydrophobicContact CB-CD1 4.24Å; I22-L37 HydrophobicContact CD1-CD1 3.78Å; I22-L37 HydrophobicContact CG1-CD1 4.32Å; V33-L37 HydrophobicContact CG1-CD1 3.66Å; V33-L37 HydrophobicContact CG1-CG 4.19Å; V33-L37 VanDerWaalsContact O-CB 3.27Å; V33-L37 WeakPolarHBondContact O-CB 3.48Å; V33-L37 VanDerWaalsContact O-CG 3.32Å; V33-L37 WeakPolarHBondContact O-CG 3.46Å; V33-L37 PolarHBondContact O-N 3.2Å; L37-R39 PolarHBondContact O-N 3.29Å; L37-R39 VanDerWaalsContact O-N 3.16Å; L37-L40 PolarHBondContact O-N 3.18Å; L37-V41 WeakPolarHBondContact O-CG1 3.48Å; L37-V41 PolarHBondContact O-N 3.45Å; L37-I108 HydrophobicContact CD2-CD1 4.45Å; L37-I110 HydrophobicContact CD1-CG1 4.42Å; L37-M254 HydrophobicContact CD2-CE 4.06Å; L37-M254 HydrophobicContact CD2-SD 3.65Å; L37-M254 HydrophobicContact CG-CE 4.03Å; L37-M254 HydrophobicContact CG-SD 3.86Å; L37-L257 HydrophobicContact CD2-CD1 4.37Å
38C97.4Very high98.1Very high5 Ų526.5 Ų26.53%0.03414%0.139CC..Hα-helixtrans-60.6-28.8-17982.30000112.9A34 L35 D36 L40 L47 L64 A69 L74A34-C38 PolarHBondContact O-N 2.66Å; A34-C38 VanDerWaalsContact O-N 3.15Å; L35-C38 PolarHBondContact O-SG 3.4Å; D36-C38 VanDerWaalsContact C-N 3.28Å; D36-C38 PolarHBondContact O-N 2.74Å; C38-L40 VanDerWaalsContact C-N 3.33Å; C38-L47 HydrophobicContact CB-CD2 4.48Å; C38-L64 HydrophobicContact CB-CD2 3.63Å; C38-L64 VanDerWaalsContact SG-CD2 3.51Å; C38-A69 HydrophobicContact CB-CB 4.42Å; C38-A69 WeakPolarHBondContact O-CB 3.44Å; C38-L74 HydrophobicContact CB-CD2 3.6Å
39R97Very high98.2Very high175 Ų17525 Ų2566%0.6612%0.123SC*.Hα-helixtrans-79.1-17.9178.8-61172.8-177.9141-0.6113.3D36 L37D36-R39 WeakPolarHBondContact O-CB 3.32Å; D36-R39 PolarHBondContact O-N 3.25Å; D36-R39 VanDerWaalsContact O-N 3.14Å; D36-R39 IonicContact OD1-NH1 2.6Å; D36-R39 PolarHBondContact OD1-NH1 2.79Å; L37-R39 PolarHBondContact O-N 3.29Å; L37-R39 VanDerWaalsContact O-N 3.16Å
40L97.4Very high98.2Very high36 Ų3624.5 Ų24.519%0.18812%0.121CC..Hα-helixtrans-109.1-3.8-172.9-58.9177.9000112.8D14 L15 L37 C38 M254 L258D14-L40 WeakPolarHBondContact CB-O 3.45Å; L15-L40 HydrophobicContact CD1-CB 4.02Å; L15-L40 HydrophobicContact CG-CB 4.14Å; L15-L40 PolarHBondContact N-O 3.06Å; L37-L40 PolarHBondContact O-N 3.18Å; C38-L40 VanDerWaalsContact C-N 3.33Å; L40-M254 HydrophobicContact CD1-CB 3.67Å; L40-M254 HydrophobicContact CD1-CG 3.7Å; L40-M254 HydrophobicContact CD1-SD 3.75Å; L40-L258 HydrophobicContact CD1-CD1 4.14Å; L40-L258 HydrophobicContact CD1-CG 4.44Å; L40-L258 HydrophobicContact CD2-CD1 4.29Å
41V97.9Very high98.2Very high14 Ų1425 Ų259%0.08513%0.125CC..SBendtrans-99.9148176.9-63.70000110.9L15 A18 L37 S45 L74L15-V41 HydrophobicContact CB-CG1 4.4Å; A18-V41 HydrophobicContact CB-CG1 4.12Å; L37-V41 WeakPolarHBondContact O-CG1 3.48Å; L37-V41 PolarHBondContact O-N 3.45Å; V41-S45 WeakPolarHBondContact CB-OG 3.43Å; V41-L74 HydrophobicContact CG2-CD1 3.79Å
42Q97.5Very high98.1Very high65 Ų6530.2 Ų30.230%0.30415%0.145SC..  trans-81158.9179.1-69.6-171.9-10.700112.3D14 G16 R17 S45D14-Q42 PolarHBondContact OD2-NE2 2.97Å; G16-Q42 PolarHBondContact O-N 2.98Å; R17-Q42 HydrophobicContact CG-CB 3.84Å; Q42-S45 WeakPolarHBondContact O-CB 3.35Å; Q42-S45 PolarHBondContact O-N 3Å; Q42-S45 PolarHBondContact O-OG 3.5Å
43P96.8Very high97.9Very high81 Ų8132 Ų3253%0.52616%0.157SC..THydrogen-bonded Turntrans-44.9139.6167.4-33.439.9000113.2R17 S45 A72R17-P43 WeakPolarHBondContact CD-O 3.23Å; R17-P43 WeakPolarHBondContact CG-O 3.44Å; P43-S45 VanDerWaalsContact C-N 3.35Å; P43-A72 VanDerWaalsContact CB-O 3.3Å; P43-A72 WeakPolarHBondContact CB-O 3.4Å; P43-A72 HydrophobicContact CG-CB 4.17Å
44G96.8Very high97.7Very high23 Ų2332.7 Ų32.724%0.23716%0.164CC..THydrogen-bonded Turntrans89.4-1.9-174.200000114.5N101 M104G44-N101 PolarHBondContact O-ND2 2.94Å; G44-M104 VanDerWaalsContact O-CE 3.26Å; G44-M104 WeakPolarHBondContact O-CE 3.33Å
45S98.6Very high97.7Very high0 Ų035.6 Ų35.60%019%0.188CC..  trans-74.1167.4171.1-62.30000112.9R17 A18 V41 Q42 P43 K75R17-S45 WeakPolarHBondContact CA-OG 2.9Å; A18-S45 PolarHBondContact N-OG 2.91Å; A18-S45 CarbonylContact O-C 3.57Å; A18-S45 VanDerWaalsContact O-CA 3.29Å; A18-S45 WeakPolarHBondContact O-CA 3.46Å; A18-S45 WeakPolarHBondContact O-CB 3.38Å; V41-S45 WeakPolarHBondContact CB-OG 3.43Å; Q42-S45 WeakPolarHBondContact O-CB 3.35Å; Q42-S45 PolarHBondContact O-N 3Å; Q42-S45 PolarHBondContact O-OG 3.5Å; P43-S45 VanDerWaalsContact C-N 3.35Å; S45-K75 PolarHBondContact O-N 3.37Å
46A98.8Very high97.6Very high0 Ų037.6 Ų37.60%020%0.199CC..EExtended strand (participates in β ladder)trans-139.9141.9173.700000112.4A18 L19 C20 K75 V99 M104A18-A46 PolarHBondContact O-N 3.14Å; L19-A46 WeakPolarHBondContact CA-O 3.42Å; L19-A46 HydrophobicContact CD1-CB 3.97Å; C20-A46 PolarHBondContact N-O 3.49Å; A46-K75 CarbonylContact C-O 3.58Å; A46-K75 VanDerWaalsContact CA-O 3.23Å; A46-K75 WeakPolarHBondContact CA-O 3.43Å; A46-K75 HydrophobicContact CB-CB 3.98Å; A46-V99 HydrophobicContact CB-CB 3.85Å; A46-V99 HydrophobicContact CB-CG2 3.67Å; A46-M104 HydrophobicContact CB-CE 3.56Å
47L98.9Very high97.6Very high0 Ų036.6 Ų36.60%019%0.193CC..EExtended strand (participates in β ladder)trans-111.4127.4167.9-95.167.2000109.6C20 I22 A34 C38 L49 L64 L74 K75 V76 E77C20-L47 HydrophobicContact CB-CD1 3.79Å; C20-L47 HydrophobicContact CB-CG 3.91Å; C20-L47 CarbonylContact O-C 3.27Å; C20-L47 WeakPolarHBondContact O-CA 3.43Å; I22-L47 HydrophobicContact CD1-CD2 4.23Å; I22-L47 HydrophobicContact CD1-CG 4.46Å; A34-L47 HydrophobicContact CB-CD2 4.23Å; C38-L47 HydrophobicContact CB-CD2 4.48Å; L47-L49 HydrophobicContact CB-CD2 4.2Å; L47-L49 HydrophobicContact CD2-CD2 4.29Å; L47-L64 HydrophobicContact CD2-CD1 4.15Å; L47-L74 HydrophobicContact CD1-CD1 3.96Å; L47-L74 HydrophobicContact CD1-CD2 4.45Å; L47-K75 PolarHBondContact N-O 2.95Å; L47-V76 HydrophobicContact CB-CG1 4.49Å; L47-V76 WeakPolarHBondContact O-CA 3.43Å; L47-E77 PolarHBondContact O-N 3.11Å
48V98.9Very high97.6Very high0 Ų043.4 Ų43.40%022%0.219CC..EExtended strand (participates in β ladder)trans-108.1110.3170.4-178.60000108.5L19 C20 V21 I22 V50 V79 T95 V99L19-V48 HydrophobicContact CD1-CG2 3.99Å; C20-V48 PolarHBondContact O-N 2.79Å; V21-V48 HydrophobicContact CG1-CB 4.42Å; V21-V48 HydrophobicContact CG2-CB 4.26Å; I22-V48 PolarHBondContact N-O 2.93Å; V48-V50 HydrophobicContact CG1-CG2 4.33Å; V48-V79 HydrophobicContact CG1-CG2 3.85Å; V48-T95 HydrophobicContact CG1-CG2 4.08Å; V48-T95 HydrophobicContact CG2-CG2 4.36Å; V48-V99 HydrophobicContact CG2-CG2 3.85Å
49L98.9Very high97.6Very high0 Ų046.1 Ų46.10%024%0.242CC..EExtended strand (participates in β ladder)trans-99.2122.6-175.3-51.3-176.3000110.6I22 A25 A34 L47 L57 V60 L64 V76 E77 V78 V79I22-L49 HydrophobicContact CB-CD2 4.5Å; I22-L49 HydrophobicContact CD1-CD2 4.09Å; A25-L49 HydrophobicContact CB-CB 3.85Å; A25-L49 HydrophobicContact CB-CD2 4.01Å; A25-L49 HydrophobicContact CB-CG 4.42Å; A34-L49 HydrophobicContact CB-CD2 3.91Å; L47-L49 HydrophobicContact CB-CD2 4.2Å; L47-L49 HydrophobicContact CD2-CD2 4.29Å; L49-L57 HydrophobicContact CB-CD2 3.81Å; L49-V60 HydrophobicContact CD1-CB 4.26Å; L49-V60 HydrophobicContact CD1-CG1 3.76Å; L49-L64 HydrophobicContact CD1-CD1 3.82Å; L49-V76 HydrophobicContact CD1-CG1 3.88Å; L49-V76 HydrophobicContact CG-CG1 4.19Å; L49-E77 PolarHBondContact N-O 2.93Å; L49-V78 HydrophobicContact CB-CG1 4.33Å; L49-V78 HydrophobicContact CD1-CG1 4.47Å; L49-V78 CarbonylContact O-C 3.59Å; L49-V78 WeakPolarHBondContact O-CA 3.48Å; L49-V79 PolarHBondContact O-N 3.36Å
50V98.8Very high97.7Very high0 Ų038 Ų380%021%0.212CC..EExtended strand (participates in β ladder)trans-119.1128.5-174.9-170.30000110.4V21 I22 T23 G24 A25 V48 V79 A81 V83 I92V21-V50 HydrophobicContact CG1-CG2 4.45Å; I22-V50 PolarHBondContact O-N 2.99Å; T23-V50 CarbonylContact C-O 3.53Å; T23-V50 HydrophobicContact CG2-CB 4.24Å; G24-V50 WeakPolarHBondContact CA-O 3.13Å; G24-V50 PolarHBondContact N-O 2.97Å; A25-V50 PolarHBondContact N-O 2.89Å; A25-V50 VanDerWaalsContact N-O 3.14Å; V48-V50 HydrophobicContact CG1-CG2 4.33Å; V50-V79 WeakPolarHBondContact CA-O 3.48Å; V50-V79 HydrophobicContact CG1-CB 4.49Å; V50-V79 HydrophobicContact CG2-CB 4.26Å; V50-A81 HydrophobicContact CG1-CB 4.09Å; V50-V83 HydrophobicContact CG1-CG1 4Å; V50-I92 HydrophobicContact CB-CD1 4.35Å; V50-I92 HydrophobicContact CB-CG1 4.49Å; V50-I92 HydrophobicContact CG1-CD1 3.5Å; V50-I92 VanDerWaalsContact CG1-CD1 3.5Å; V50-I92 HydrophobicContact CG1-CG1 3.84Å; V50-I92 HydrophobicContact CG2-CD1 4.03Å; V50-I92 HydrophobicContact CG2-CG1 3.8Å; V50-I92 HydrophobicContact CG2-CG2 3.95Å
51A98Very high97.8Very high10 Ų1038.4 Ų38.48%0.08321%0.213CC..EExtended strand (participates in β ladder)trans-167.4169.7170.800000110.1L57 V79 A80 A81A51-L57 HydrophobicContact CB-CD1 4.01Å; A51-L57 HydrophobicContact CB-CD2 3.79Å; A51-L57 HydrophobicContact CB-CG 3.87Å; A51-V79 PolarHBondContact N-O 2.94Å; A51-A80 CarbonylContact O-C 3.49Å; A51-A80 VanDerWaalsContact O-CA 3.24Å; A51-A80 WeakPolarHBondContact O-CA 3.34Å; A51-A81 CarbonylContact C-O 3.48Å; A51-A81 VanDerWaalsContact C-O 3.27Å; A51-A81 PolarHBondContact O-N 3.16Å
52R96Very high97.8Very high183 Ų18339.9 Ų39.969%0.69123%0.227SC*.SBendtrans-73.2-35.6177.3-67.2176.2-66.1169.20.2113.4G54 A81 D82R52-G54 PolarHBondContact O-N 2.98Å; R52-A81 WeakPolarHBondContact CG-O 3.34Å; R52-A81 PolarHBondContact N-O 3.49Å; R52-D82 HydrophobicContact CG-CB 4.24Å
53S95.3Very high97.8Very high40 Ų4040.6 Ų40.628%0.2823%0.23SC..  trans-82.697-175.8-176.50000110.6A55 D56 L57S53-A55 VanDerWaalsContact C-N 3.27Å; S53-A55 PolarHBondContact O-N 2.86Å; S53-D56 WeakPolarHBondContact CB-OD2 3.49Å; S53-D56 PolarHBondContact O-N 3.3Å; S53-D56 WeakPolarHBondContact OG-CB 3.38Å; S53-D56 PolarHBondContact OG-N 2.8Å; S53-D56 PolarHBondContact OG-OD2 3.08Å; S53-L57 WeakPolarHBondContact O-CG 3.41Å; S53-L57 PolarHBondContact O-N 3.09Å
54G95.7Very high97.9Very high14 Ų1436.8 Ų36.814%0.14421%0.205CC..Hα-helixtrans-63-31.517800000113.5R52 R58R52-G54 PolarHBondContact O-N 2.98Å; G54-R58 WeakPolarHBondContact O-CG 3.45Å; G54-R58 PolarHBondContact O-N 2.81Å; G54-R58 VanDerWaalsContact O-N 3.09Å; G54-R58 PolarHBondContact O-NH1 2.81Å
55A97.2Very high97.9Very high61 Ų6139.1 Ų39.150%0.50422%0.215SC..Hα-helixtrans-68-48.7176.400000111.7S53 L57 R58 A59S53-A55 VanDerWaalsContact C-N 3.27Å; S53-A55 PolarHBondContact O-N 2.86Å; A55-L57 VanDerWaalsContact C-N 3.32Å; A55-L57 PolarHBondContact O-N 3.47Å; A55-R58 PolarHBondContact O-N 2.86Å; A55-A59 PolarHBondContact O-N 3.44Å; A55-A59 VanDerWaalsContact O-N 3.09Å
56D97.5Very high97.9Very high61 Ų6145.5 Ų45.533%0.32625%0.245SC..Hα-helixtrans-63.9-38.9178.3-61.9-18.6000111.2S53 A59 V60S53-D56 WeakPolarHBondContact CB-OD2 3.49Å; S53-D56 PolarHBondContact O-N 3.3Å; S53-D56 WeakPolarHBondContact OG-CB 3.38Å; S53-D56 PolarHBondContact OG-N 2.8Å; S53-D56 PolarHBondContact OG-OD2 3.08Å; D56-A59 WeakPolarHBondContact O-CB 3.42Å; D56-A59 PolarHBondContact O-N 2.9Å; D56-V60 WeakPolarHBondContact O-CG2 3.29Å; D56-V60 PolarHBondContact O-N 3.16Å; D56-V60 VanDerWaalsContact O-N 3.15Å
57L97.9Very high97.8Very high0 Ų047 Ų470%026%0.255CS..Hα-helixtrans-60.7-45174.6-77.7175.6000112.2A25 L49 A51 S53 A55 A59 V60 Q61 V78A25-L57 HydrophobicContact CB-CD2 4.24Å; L49-L57 HydrophobicContact CB-CD2 3.81Å; A51-L57 HydrophobicContact CB-CD1 4.01Å; A51-L57 HydrophobicContact CB-CD2 3.79Å; A51-L57 HydrophobicContact CB-CG 3.87Å; S53-L57 WeakPolarHBondContact O-CG 3.41Å; S53-L57 PolarHBondContact O-N 3.09Å; A55-L57 VanDerWaalsContact C-N 3.32Å; A55-L57 PolarHBondContact O-N 3.47Å; L57-A59 VanDerWaalsContact C-N 3.26Å; L57-A59 PolarHBondContact O-N 2.84Å; L57-V60 PolarHBondContact O-N 2.86Å; L57-Q61 WeakPolarHBondContact O-CB 3.32Å; L57-Q61 PolarHBondContact O-N 2.94Å; L57-V78 HydrophobicContact CB-CB 4.07Å; L57-V78 HydrophobicContact CB-CG1 3.9Å; L57-V78 HydrophobicContact CD1-CB 4.33Å
58R98.2Very high97.7Very high143 Ų14355.3 Ų55.354%0.5429%0.294SS..Hα-helixtrans-63.7-32.8178-77.8-172.8-63.8-92.23.5112.3G54 A55 Q61 A62 V78G54-R58 WeakPolarHBondContact O-CG 3.45Å; G54-R58 PolarHBondContact O-N 2.81Å; G54-R58 VanDerWaalsContact O-N 3.09Å; G54-R58 PolarHBondContact O-NH1 2.81Å; A55-R58 PolarHBondContact O-N 2.86Å; R58-Q61 PolarHBondContact O-N 3.45Å; R58-A62 WeakPolarHBondContact O-CB 3.38Å; R58-A62 PolarHBondContact O-N 3.03Å; R58-V78 HydrophobicContact CG-CG2 4.37Å
59A98.3Very high97.6Very high62 Ų6256.2 Ų56.251%0.51230%0.301SS..Hα-helixtrans-63.9-45.7173.100000111.6A55 D56 L57 A62 E63A55-A59 PolarHBondContact O-N 3.44Å; A55-A59 VanDerWaalsContact O-N 3.09Å; D56-A59 WeakPolarHBondContact O-CB 3.42Å; D56-A59 PolarHBondContact O-N 2.9Å; L57-A59 VanDerWaalsContact C-N 3.26Å; L57-A59 PolarHBondContact O-N 2.84Å; A59-A62 PolarHBondContact O-N 3.08Å; A59-E63 PolarHBondContact O-N 3.05Å; A59-E63 VanDerWaalsContact O-N 3.14Å
60V98.5Very high97.5Very high4 Ų456.8 Ų56.82%0.02431%0.308CS..Hα-helixtrans-64.4-40.5175-1790000111.2R31 L49 D56 L57 A62 E63 L64R31-V60 HydrophobicContact CG-CG1 4.37Å; R31-V60 HydrophobicContact CG-CG2 3.85Å; L49-V60 HydrophobicContact CD1-CB 4.26Å; L49-V60 HydrophobicContact CD1-CG1 3.76Å; D56-V60 WeakPolarHBondContact O-CG2 3.29Å; D56-V60 PolarHBondContact O-N 3.16Å; D56-V60 VanDerWaalsContact O-N 3.15Å; L57-V60 PolarHBondContact O-N 2.86Å; V60-A62 PolarHBondContact O-N 3.1Å; V60-E63 PolarHBondContact O-N 3.26Å; V60-L64 HydrophobicContact CG1-CD1 3.88Å; V60-L64 HydrophobicContact CG1-CG 4.32Å; V60-L64 WeakPolarHBondContact O-CB 3.44Å; V60-L64 VanDerWaalsContact O-CG 3.3Å; V60-L64 WeakPolarHBondContact O-CG 3.27Å; V60-L64 PolarHBondContact O-N 2.87Å
61Q98.6Very high97.4Very high45 Ų4566.5 Ų66.521%0.2134%0.344CS..Hα-helixtrans-59.5-46.4176.1-176-176.130.900112L57 R58 L64 T65 V76 V78L57-Q61 WeakPolarHBondContact O-CB 3.32Å; L57-Q61 PolarHBondContact O-N 2.94Å; R58-Q61 PolarHBondContact O-N 3.45Å; Q61-L64 PolarHBondContact O-N 3.44Å; Q61-T65 VanDerWaalsContact O-CB 3.3Å; Q61-T65 WeakPolarHBondContact O-CB 3.24Å; Q61-T65 PolarHBondContact O-N 3.19Å; Q61-T65 PolarHBondContact O-OG1 3.22Å; Q61-V76 HydrophobicContact CB-CG1 4.27Å; Q61-V76 HydrophobicContact CG-CB 4.17Å; Q61-V76 HydrophobicContact CG-CG1 3.92Å; Q61-V76 PolarHBondContact NE2-O 2.98Å; Q61-V78 HydrophobicContact CB-CG1 3.67Å; Q61-V78 HydrophobicContact CG-CG1 4.04Å
62A98.4Very high97.3Very high46 Ų4668.5 Ų68.538%0.3836%0.361SS..Hα-helixtrans-60.4-48.5178.100000111.1R58 A59 V60 L64 T65 E66R58-A62 WeakPolarHBondContact O-CB 3.38Å; R58-A62 PolarHBondContact O-N 3.03Å; A59-A62 PolarHBondContact O-N 3.08Å; V60-A62 PolarHBondContact O-N 3.1Å; A62-L64 VanDerWaalsContact C-N 3.35Å; A62-L64 PolarHBondContact O-N 2.94Å; A62-T65 PolarHBondContact O-N 3.27Å; A62-T65 VanDerWaalsContact O-N 3.16Å; A62-E66 WeakPolarHBondContact O-CB 3.47Å; A62-E66 WeakPolarHBondContact O-CG 3.21Å; A62-E66 PolarHBondContact O-N 3.41Å
63E98.4Very high97.3Very high80 Ų8061.7 Ų61.737%0.37435%0.348SS..Hα-helixtrans-58-44.6177.6-177.9179.8-179.500112.4R31 L35 A59 V60 E66 S67R31-E63 IonicContact CZ-OE2 2.72Å; R31-E63 IonicContact NE-OE2 3.61Å; R31-E63 IonicContact NH2-OE1 3.54Å; R31-E63 PolarHBondContact NH2-OE1 2.94Å; R31-E63 IonicContact NH2-OE2 2.88Å; R31-E63 PolarHBondContact NH2-OE2 3.03Å; L35-E63 HydrophobicContact CD2-CG 4.09Å; A59-E63 PolarHBondContact O-N 3.05Å; A59-E63 VanDerWaalsContact O-N 3.14Å; V60-E63 PolarHBondContact O-N 3.26Å; E63-E66 PolarHBondContact O-N 3.01Å; E63-S67 PolarHBondContact O-N 2.94Å; E63-S67 VanDerWaalsContact O-N 3.15Å
64L98.4Very high97.4Very high1 Ų160.5 Ų60.51%0.00534%0.338CS..Hα-helixtrans-68.9-35.6177.4-69.6172.3000112.7A34 L35 C38 L47 L49 V60 Q61 A62 E66 S67 G70 V76A34-L64 HydrophobicContact CB-CD1 4.26Å; L35-L64 HydrophobicContact CD2-CD2 3.78Å; L35-L64 HydrophobicContact CD2-CG 4.35Å; C38-L64 HydrophobicContact CB-CD2 3.63Å; C38-L64 VanDerWaalsContact SG-CD2 3.51Å; L47-L64 HydrophobicContact CD2-CD1 4.15Å; L49-L64 HydrophobicContact CD1-CD1 3.82Å; V60-L64 HydrophobicContact CG1-CD1 3.88Å; V60-L64 HydrophobicContact CG1-CG 4.32Å; V60-L64 WeakPolarHBondContact O-CB 3.44Å; V60-L64 VanDerWaalsContact O-CG 3.3Å; V60-L64 WeakPolarHBondContact O-CG 3.27Å; V60-L64 PolarHBondContact O-N 2.87Å; Q61-L64 PolarHBondContact O-N 3.44Å; A62-L64 VanDerWaalsContact C-N 3.35Å; A62-L64 PolarHBondContact O-N 2.94Å; L64-E66 VanDerWaalsContact C-N 3.34Å; L64-S67 WeakPolarHBondContact O-CB 3.41Å; L64-S67 PolarHBondContact O-N 2.76Å; L64-S67 PolarHBondContact O-OG 2.62Å; L64-G70 WeakPolarHBondContact O-CA 3.19Å; L64-V76 HydrophobicContact CB-CG1 4.3Å; L64-V76 HydrophobicContact CB-CG2 3.87Å; L64-V76 HydrophobicContact CD1-CG1 3.94Å
65T97.6Very high97.5Very high72 Ų7264.7 Ų64.744%0.44235%0.352SS..Hα-helixtrans-69.2-35.6177.7-56.20000111.2Q61 A62 S67 G70Q61-T65 VanDerWaalsContact O-CB 3.3Å; Q61-T65 WeakPolarHBondContact O-CB 3.24Å; Q61-T65 PolarHBondContact O-N 3.19Å; Q61-T65 PolarHBondContact O-OG1 3.22Å; A62-T65 PolarHBondContact O-N 3.27Å; A62-T65 VanDerWaalsContact O-N 3.16Å; T65-S67 VanDerWaalsContact C-N 3.32Å; T65-G70 WeakPolarHBondContact O-CA 3.16Å
66E97.8Very high97.6Very high134 Ų13462.3 Ų62.363%0.62633%0.331SS*.Hα-helixtrans-79.4-13.6177.5-70.2177.3-175.600113.8A62 E63 L64 R71A62-E66 WeakPolarHBondContact O-CB 3.47Å; A62-E66 WeakPolarHBondContact O-CG 3.21Å; A62-E66 PolarHBondContact O-N 3.41Å; E63-E66 PolarHBondContact O-N 3.01Å; L64-E66 VanDerWaalsContact C-N 3.34Å; E66-R71 VanDerWaalsContact O-CZ 3.29Å; E66-R71 PolarHBondContact O-NE 3.02Å; E66-R71 PolarHBondContact O-NH2 3.2Å
67S97.5Very high97.7Very high32 Ų3263.2 Ų63.222%0.22433%0.334CS..SBendtrans-65.5166.9176.580.70000113E63 L64 T65 A69 G70 R71E63-S67 PolarHBondContact O-N 2.94Å; E63-S67 VanDerWaalsContact O-N 3.15Å; L64-S67 WeakPolarHBondContact O-CB 3.41Å; L64-S67 PolarHBondContact O-N 2.76Å; L64-S67 PolarHBondContact O-OG 2.62Å; T65-S67 VanDerWaalsContact C-N 3.32Å; S67-A69 VanDerWaalsContact C-N 3.3Å; S67-A69 PolarHBondContact O-N 3.33Å; S67-A69 PolarHBondContact OG-N 3.21Å; S67-G70 PolarHBondContact O-N 3.44Å; S67-G70 PolarHBondContact OG-N 3.03Å; S67-R71 WeakPolarHBondContact O-CG 3.21Å; S67-R71 PolarHBondContact O-N 3.43Å
68E96.3Very high97.7Very high173 Ų17365 Ų6581%0.80834%0.344SS*.Hα-helixtrans-56.3-43.8175.4-175174.9-176.500112.1G70 R71 A72E68-G70 PolarHBondContact O-N 3.35Å; E68-R71 PolarHBondContact O-N 3.43Å; E68-A72 VanDerWaalsContact O-CB 3.29Å; E68-A72 WeakPolarHBondContact O-CB 3.18Å; E68-A72 PolarHBondContact O-N 2.96Å
69A96.3Very high97.7Very high19 Ų1958.3 Ų58.316%0.15732%0.319CS..Hα-helixtrans-64.3-41177.500000112.3C38 S67 A72 G73 L74C38-A69 HydrophobicContact CB-CB 4.42Å; C38-A69 WeakPolarHBondContact O-CB 3.44Å; S67-A69 VanDerWaalsContact C-N 3.3Å; S67-A69 PolarHBondContact O-N 3.33Å; S67-A69 PolarHBondContact OG-N 3.21Å; A69-A72 CarbonylContact O-C 3.58Å; A69-A72 PolarHBondContact O-N 3.42Å; A69-A72 VanDerWaalsContact O-N 3.15Å; A69-G73 PolarHBondContact O-N 2.95Å; A69-L74 HydrophobicContact CB-CB 4.18Å; A69-L74 HydrophobicContact CB-CD2 3.96Å; A69-L74 WeakPolarHBondContact O-CB 3.42Å; A69-L74 PolarHBondContact O-N 3.5Å
70G96.5Very high97.6Very high13 Ų1358.3 Ų58.313%0.13432%0.32CS..Hα-helixtrans-57.2-49.3173.900000112L64 T65 S67 E68 A72 G73L64-G70 WeakPolarHBondContact O-CA 3.19Å; T65-G70 WeakPolarHBondContact O-CA 3.16Å; S67-G70 PolarHBondContact O-N 3.44Å; S67-G70 PolarHBondContact OG-N 3.03Å; E68-G70 PolarHBondContact O-N 3.35Å; G70-A72 PolarHBondContact O-N 3.41Å; G70-G73 PolarHBondContact O-N 3.08Å; G70-G73 VanDerWaalsContact O-N 3.12Å
71R97Very high97.4Very high204 Ų20458.5 Ų58.577%0.7732%0.322SS*.Hα-helixtrans-65.8-26.9176.4-63.5175.2-161.7-171.61.8113.1E66 S67 E68 G73E66-R71 VanDerWaalsContact O-CZ 3.29Å; E66-R71 PolarHBondContact O-NE 3.02Å; E66-R71 PolarHBondContact O-NH2 3.2Å; S67-R71 WeakPolarHBondContact O-CG 3.21Å; S67-R71 PolarHBondContact O-N 3.43Å; E68-R71 PolarHBondContact O-N 3.43Å; R71-G73 VanDerWaalsContact C-N 3.29Å
72A95.9Very high97.1Very high52 Ų5258.9 Ų58.943%0.4333%0.325SS..THydrogen-bonded Turntrans-84.94.2176.400000113.7P43 E68 A69 G70P43-A72 VanDerWaalsContact CB-O 3.3Å; P43-A72 WeakPolarHBondContact CB-O 3.4Å; P43-A72 HydrophobicContact CG-CB 4.17Å; E68-A72 VanDerWaalsContact O-CB 3.29Å; E68-A72 WeakPolarHBondContact O-CB 3.18Å; E68-A72 PolarHBondContact O-N 2.96Å; A69-A72 CarbonylContact O-C 3.58Å; A69-A72 PolarHBondContact O-N 3.42Å; A69-A72 VanDerWaalsContact O-N 3.15Å; G70-A72 PolarHBondContact O-N 3.41Å
73G95.6Very high96.9Very high40 Ų4057.2 Ų57.241%0.41231%0.31SS..THydrogen-bonded Turntrans10318.5173.600000115.5A69 G70 R71 K75A69-G73 PolarHBondContact O-N 2.95Å; G70-G73 PolarHBondContact O-N 3.08Å; G70-G73 VanDerWaalsContact O-N 3.12Å; R71-G73 VanDerWaalsContact C-N 3.29Å; G73-K75 PolarHBondContact O-N 2.96Å
74L98.2Very high96.4Very high14 Ų1454.7 Ų54.77%0.07331%0.305CS..  trans-66.6123.3166.7179.966.4000110.3C38 V41 L47 A69 V76C38-L74 HydrophobicContact CB-CD2 3.6Å; V41-L74 HydrophobicContact CG2-CD1 3.79Å; L47-L74 HydrophobicContact CD1-CD1 3.96Å; L47-L74 HydrophobicContact CD1-CD2 4.45Å; A69-L74 HydrophobicContact CB-CB 4.18Å; A69-L74 HydrophobicContact CB-CD2 3.96Å; A69-L74 WeakPolarHBondContact O-CB 3.42Å; A69-L74 PolarHBondContact O-N 3.5Å; L74-V76 HydrophobicContact CD2-CG2 4.06Å; L74-V76 HydrophobicContact CG-CG2 4.05Å
75K98.4Very high96.1Very high103 Ų10359.6 Ų59.645%0.44833%0.327SS..EExtended strand (participates in β ladder)trans-82.7134.9170-62.6-179-175.5174.90109.9S45 A46 L47 G73S45-K75 PolarHBondContact O-N 3.37Å; A46-K75 CarbonylContact C-O 3.58Å; A46-K75 VanDerWaalsContact CA-O 3.23Å; A46-K75 WeakPolarHBondContact CA-O 3.43Å; A46-K75 HydrophobicContact CB-CB 3.98Å; L47-K75 PolarHBondContact N-O 2.95Å; G73-K75 PolarHBondContact O-N 2.96Å
76V98.6Very high95.6Very high10 Ų1060.9 Ų60.96%0.06133%0.331CS..EExtended strand (participates in β ladder)trans-128.6112.4176.6-170.50000108.7L47 L49 Q61 L64 L74L47-V76 HydrophobicContact CB-CG1 4.49Å; L47-V76 WeakPolarHBondContact O-CA 3.43Å; L49-V76 HydrophobicContact CD1-CG1 3.88Å; L49-V76 HydrophobicContact CG-CG1 4.19Å; Q61-V76 HydrophobicContact CB-CG1 4.27Å; Q61-V76 HydrophobicContact CG-CB 4.17Å; Q61-V76 HydrophobicContact CG-CG1 3.92Å; Q61-V76 PolarHBondContact NE2-O 2.98Å; L64-V76 HydrophobicContact CB-CG1 4.3Å; L64-V76 HydrophobicContact CB-CG2 3.87Å; L64-V76 HydrophobicContact CD1-CG1 3.94Å; L74-V76 HydrophobicContact CD2-CG2 4.06Å; L74-V76 HydrophobicContact CG-CG2 4.05Å
77E98.5Very high95.3Very high81 Ų8160.6 Ų60.638%0.37933%0.329SS..EExtended strand (participates in β ladder)trans-109.5149.3177-73.4-5915400111.4L47 L49 T95 V99L47-E77 PolarHBondContact O-N 3.11Å; L49-E77 PolarHBondContact N-O 2.93Å; E77-T95 HydrophobicContact CB-CG2 3.67Å; E77-T95 HydrophobicContact CG-CG2 4.08Å; E77-V99 HydrophobicContact CB-CG1 4.35Å; E77-V99 HydrophobicContact CG-CG1 3.39Å
78V98.4Very high95Very high37 Ų3759.8 Ų59.822%0.22432%0.324CS..EExtended strand (participates in β ladder)trans-120.5134.7179.5-64.60000111L49 L57 R58 Q61L49-V78 HydrophobicContact CB-CG1 4.33Å; L49-V78 HydrophobicContact CD1-CG1 4.47Å; L49-V78 CarbonylContact O-C 3.59Å; L49-V78 WeakPolarHBondContact O-CA 3.48Å; L57-V78 HydrophobicContact CB-CB 4.07Å; L57-V78 HydrophobicContact CB-CG1 3.9Å; L57-V78 HydrophobicContact CD1-CB 4.33Å; R58-V78 HydrophobicContact CG-CG2 4.37Å; Q61-V78 HydrophobicContact CB-CG1 3.67Å; Q61-V78 HydrophobicContact CG-CG1 4.04Å
79V98.2Very high95Very high2 Ų251.8 Ų51.81%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-121.799.2175.7-173.10000108.4V48 L49 V50 A51 A81 N91 I92 T95V48-V79 HydrophobicContact CG1-CG2 3.85Å; L49-V79 PolarHBondContact O-N 3.36Å; V50-V79 WeakPolarHBondContact CA-O 3.48Å; V50-V79 HydrophobicContact CG1-CB 4.49Å; V50-V79 HydrophobicContact CG2-CB 4.26Å; A51-V79 PolarHBondContact N-O 2.94Å; V79-A81 HydrophobicContact CG1-CB 3.81Å; V79-A81 PolarHBondContact O-N 3.4Å; V79-A81 VanDerWaalsContact O-N 3.09Å; V79-N91 HydrophobicContact CG1-CB 4.38Å; V79-N91 WeakPolarHBondContact CG1-ND2 3.18Å; V79-I92 HydrophobicContact CB-CG1 4.33Å; V79-I92 HydrophobicContact CG1-CG1 3.85Å; V79-T95 HydrophobicContact CG2-CG2 3.89Å
80A97.5Very high94.9Very high63 Ų6355.2 Ų55.252%0.52130%0.299SS..EExtended strand (participates in β ladder)trans-72.897.217300000109.4A51A51-A80 CarbonylContact O-C 3.49Å; A51-A80 VanDerWaalsContact O-CA 3.24Å; A51-A80 WeakPolarHBondContact O-CA 3.34Å
81A93.2Very high94.9Very high8 Ų856.9 Ų56.97%0.06631%0.305CS..  trans-147.1150.1-166.800000112.8V50 A51 R52 V79V50-A81 HydrophobicContact CG1-CB 4.09Å; A51-A81 CarbonylContact C-O 3.48Å; A51-A81 VanDerWaalsContact C-O 3.27Å; A51-A81 PolarHBondContact O-N 3.16Å; R52-A81 WeakPolarHBondContact CG-O 3.34Å; R52-A81 PolarHBondContact N-O 3.49Å; V79-A81 HydrophobicContact CG1-CB 3.81Å; V79-A81 PolarHBondContact O-N 3.4Å; V79-A81 VanDerWaalsContact O-N 3.09Å
82D92.9Very high95Very high53 Ų5347.1 Ų47.128%0.28327%0.268SS..  trans-98.5107.5165.7-173.9-8.2000108.5R52 G84 K85 S88R52-D82 HydrophobicContact CG-CB 4.24Å; D82-G84 PolarHBondContact O-N 2.85Å; D82-G84 PolarHBondContact OD1-N 3.01Å; D82-K85 HydrophobicContact CB-CD 4.3Å; D82-K85 HydrophobicContact CB-CG 4.23Å; D82-K85 WeakPolarHBondContact O-CB 3.39Å; D82-K85 PolarHBondContact O-N 2.93Å; D82-S88 PolarHBondContact N-OG 2.89Å; D82-S88 WeakPolarHBondContact O-CB 3.4Å; D82-S88 PolarHBondContact O-OG 2.72Å
83V93Very high95.1Very high10 Ų1044.9 Ų44.96%0.06125%0.249CC..THydrogen-bonded Turntrans-62.3-16.5-178.1-60.60000112.9T23 V50 K85 L89 I92 A113 L138 S142T23-V83 HydrophobicContact CG2-CG1 4.19Å; V50-V83 HydrophobicContact CG1-CG1 4Å; V83-K85 PolarHBondContact O-N 3.24Å; V83-L89 HydrophobicContact CB-CD2 4.23Å; V83-I92 HydrophobicContact CG1-CD1 4.18Å; V83-A113 HydrophobicContact CG2-CB 4.1Å; V83-L138 HydrophobicContact CG2-CD1 3.76Å; V83-S142 WeakPolarHBondContact O-CB 3.39Å
84G89.7Confident95.2Very high27 Ų2749.5 Ų49.528%0.27825%0.254SS..THydrogen-bonded Turntrans-69.2-4.5170.600000114.7D82D82-G84 PolarHBondContact O-N 2.85Å; D82-G84 PolarHBondContact OD1-N 3.01Å
85K90.3Very high95.3Very high104 Ų10449.7 Ų49.745%0.45226%0.256SS..SBendtrans-112.4136.7-179.8-59.8-173.8178.1-173.20112.2D82 V83 E87 S88 L89D82-K85 HydrophobicContact CB-CD 4.3Å; D82-K85 HydrophobicContact CB-CG 4.23Å; D82-K85 WeakPolarHBondContact O-CB 3.39Å; D82-K85 PolarHBondContact O-N 2.93Å; V83-K85 PolarHBondContact O-N 3.24Å; K85-E87 HydrophobicContact CB-CG 4.15Å; K85-E87 PolarHBondContact O-N 3.05Å; K85-S88 VanDerWaalsContact O-CB 3.3Å; K85-S88 WeakPolarHBondContact O-CB 3.27Å; K85-S88 PolarHBondContact O-N 2.85Å; K85-S88 VanDerWaalsContact O-N 3.16Å; K85-L89 PolarHBondContact O-N 2.82Å
86L87.5Confident95.3Very high100 Ų10044.8 Ų44.852%0.52423%0.234SC..Hα-helixtrans-61.1-45.5-177.9-170.162.4000113.5S88 L89 E90 R149L86-S88 PolarHBondContact O-N 2.55Å; L86-L89 WeakPolarHBondContact O-CB 3.3Å; L86-L89 PolarHBondContact O-N 2.9Å; L86-E90 PolarHBondContact O-N 2.82Å; L86-R149 VanDerWaalsContact CD1-NH2 3.27Å
87E90.9Very high95.3Very high128 Ų12850.4 Ų50.460%0.59825%0.254SS*.Hα-helixtrans-56-33.4177.162.2-173.7179.700112.5K85 E90 N91K85-E87 HydrophobicContact CB-CG 4.15Å; K85-E87 PolarHBondContact O-N 3.05Å; E87-E90 PolarHBondContact O-N 3Å; E87-N91 PolarHBondContact O-N 3.2Å; E87-N91 VanDerWaalsContact O-N 3.11Å
88S92.6Very high95.3Very high15 Ų1552 Ų5211%0.10527%0.266CS..Hα-helixtrans-69.3-40.3177.5-77.10000111.1D82 K85 L86 E90 N91 I92D82-S88 PolarHBondContact N-OG 2.89Å; D82-S88 WeakPolarHBondContact O-CB 3.4Å; D82-S88 PolarHBondContact O-OG 2.72Å; K85-S88 VanDerWaalsContact O-CB 3.3Å; K85-S88 WeakPolarHBondContact O-CB 3.27Å; K85-S88 PolarHBondContact O-N 2.85Å; K85-S88 VanDerWaalsContact O-N 3.16Å; L86-S88 PolarHBondContact O-N 2.55Å; S88-E90 VanDerWaalsContact C-N 3.32Å; S88-E90 PolarHBondContact O-N 2.82Å; S88-N91 PolarHBondContact O-N 2.77Å; S88-I92 WeakPolarHBondContact O-CD1 3.5Å; S88-I92 VanDerWaalsContact O-CG1 3.24Å; S88-I92 WeakPolarHBondContact O-CG1 3.49Å; S88-I92 PolarHBondContact O-N 2.82Å
89L94.9Very high95.2Very high4 Ų450.6 Ų50.62%0.02126%0.257CS..Hα-helixtrans-63.8-39.2176.6-53.9-172000111.6V83 K85 L86 I92 V93 C145 L146V83-L89 HydrophobicContact CB-CD2 4.23Å; K85-L89 PolarHBondContact O-N 2.82Å; L86-L89 WeakPolarHBondContact O-CB 3.3Å; L86-L89 PolarHBondContact O-N 2.9Å; L89-I92 HydrophobicContact CD2-CD1 4.22Å; L89-I92 PolarHBondContact O-N 2.84Å; L89-V93 VanDerWaalsContact O-CG2 3.28Å; L89-V93 WeakPolarHBondContact O-CG2 3.3Å; L89-V93 PolarHBondContact O-N 3.3Å; L89-V93 VanDerWaalsContact O-N 3.09Å; L89-C145 HydrophobicContact CD1-CB 3.51Å; L89-L146 HydrophobicContact CD2-CB 4.14Å; L89-L146 HydrophobicContact CD2-CD1 4.43Å
90E95.2Very high95.2Very high92 Ų9252.4 Ų52.443%0.4327%0.265SS..Hα-helixtrans-65.3-40.1176.8-71.7174.5175.500112.2L86 E87 S88 V93 R94 R149L86-E90 PolarHBondContact O-N 2.82Å; E87-E90 PolarHBondContact O-N 3Å; S88-E90 VanDerWaalsContact C-N 3.32Å; S88-E90 PolarHBondContact O-N 2.82Å; E90-V93 PolarHBondContact O-N 2.74Å; E90-R94 WeakPolarHBondContact O-CB 3.47Å; E90-R94 PolarHBondContact O-N 2.62Å; E90-R149 IonicContact OE1-CZ 2.95Å; E90-R149 IonicContact OE1-NH1 3.82Å; E90-R149 PolarHBondContact OE1-NH1 3.09Å; E90-R149 IonicContact OE1-NH2 3.77Å; E90-R149 PolarHBondContact OE1-NH2 2.62Å
91N97Very high95Very high47 Ų4751.3 Ų51.325%0.25125%0.25SS..Hα-helixtrans-63-44174.7-168.427.8000111.8V79 E87 S88 V93 R94 T95V79-N91 HydrophobicContact CG1-CB 4.38Å; V79-N91 WeakPolarHBondContact CG1-ND2 3.18Å; E87-N91 PolarHBondContact O-N 3.2Å; E87-N91 VanDerWaalsContact O-N 3.11Å; S88-N91 PolarHBondContact O-N 2.77Å; N91-V93 VanDerWaalsContact C-N 3.33Å; N91-V93 PolarHBondContact O-N 3.12Å; N91-R94 PolarHBondContact O-N 3.24Å; N91-R94 PolarHBondContact OD1-NH2 3.02Å; N91-T95 PolarHBondContact O-N 2.87Å; N91-T95 PolarHBondContact O-OG1 3.16Å
92I98.4Very high95Very high0 Ų058.5 Ų58.50%029%0.287CS..Hα-helixtrans-58.1-47177.4-63.8160.9000110.6V21 V50 V79 V83 S88 L89 S96 L146V21-I92 HydrophobicContact CG1-CG2 3.79Å; V50-I92 HydrophobicContact CB-CD1 4.35Å; V50-I92 HydrophobicContact CB-CG1 4.49Å; V50-I92 HydrophobicContact CG1-CD1 3.5Å; V50-I92 VanDerWaalsContact CG1-CD1 3.5Å; V50-I92 HydrophobicContact CG1-CG1 3.84Å; V50-I92 HydrophobicContact CG2-CD1 4.03Å; V50-I92 HydrophobicContact CG2-CG1 3.8Å; V50-I92 HydrophobicContact CG2-CG2 3.95Å; V79-I92 HydrophobicContact CB-CG1 4.33Å; V79-I92 HydrophobicContact CG1-CG1 3.85Å; V83-I92 HydrophobicContact CG1-CD1 4.18Å; S88-I92 WeakPolarHBondContact O-CD1 3.5Å; S88-I92 VanDerWaalsContact O-CG1 3.24Å; S88-I92 WeakPolarHBondContact O-CG1 3.49Å; S88-I92 PolarHBondContact O-N 2.82Å; L89-I92 HydrophobicContact CD2-CD1 4.22Å; L89-I92 PolarHBondContact O-N 2.84Å; I92-S96 VanDerWaalsContact O-CB 3.3Å; I92-S96 WeakPolarHBondContact O-CB 3.4Å; I92-S96 PolarHBondContact O-N 2.9Å; I92-S96 PolarHBondContact O-OG 3.29Å; I92-L146 HydrophobicContact CB-CD1 4.25Å; I92-L146 HydrophobicContact CD1-CD1 4.32Å; I92-L146 HydrophobicContact CD1-CD2 4.47Å; I92-L146 HydrophobicContact CG2-CD1 3.87Å
93V98.4Very high95.1Very high5 Ų562.2 Ų62.23%0.0330%0.303CS..Hα-helixtrans-67.7-38.8-179.6178.60000111.2L89 E90 N91 S96 R97 L146 R149 L150 A153L89-V93 VanDerWaalsContact O-CG2 3.28Å; L89-V93 WeakPolarHBondContact O-CG2 3.3Å; L89-V93 PolarHBondContact O-N 3.3Å; L89-V93 VanDerWaalsContact O-N 3.09Å; E90-V93 PolarHBondContact O-N 2.74Å; N91-V93 VanDerWaalsContact C-N 3.33Å; N91-V93 PolarHBondContact O-N 3.12Å; V93-S96 WeakPolarHBondContact O-CB 3.47Å; V93-S96 PolarHBondContact O-N 2.81Å; V93-R97 VanDerWaalsContact CG1-NH1 3.33Å; V93-R97 PolarHBondContact O-N 3.5Å; V93-L146 HydrophobicContact CG2-CD1 4.42Å; V93-R149 HydrophobicContact CG2-CB 3.89Å; V93-L150 HydrophobicContact CG2-CD1 4.31Å; V93-A153 HydrophobicContact CG1-CB 3.54Å
94R98.4Very high95.3Very high136 Ų13662 Ų6251%0.51330%0.302SS..Hα-helixtrans-60.7-54.7174.1178.5179.461.5-155.41111.2E90 N91 S96 R97 D98E90-R94 WeakPolarHBondContact O-CB 3.47Å; E90-R94 PolarHBondContact O-N 2.62Å; N91-R94 PolarHBondContact O-N 3.24Å; N91-R94 PolarHBondContact OD1-NH2 3.02Å; R94-S96 PolarHBondContact O-N 3.43Å; R94-R97 WeakPolarHBondContact O-CA 3.24Å; R94-R97 WeakPolarHBondContact O-CB 3.48Å; R94-R97 PolarHBondContact O-N 3.48Å; R94-D98 VanDerWaalsContact O-CG 3.23Å; R94-D98 PolarHBondContact O-N 2.9Å
95T98.5Very high95.7Very high18 Ų1863.8 Ų63.811%0.1130%0.303CS..Hα-helixtrans-56.6-38.7177.4-59.90000111.6V48 E77 V79 N91 R97 D98 V99V48-T95 HydrophobicContact CG1-CG2 4.08Å; V48-T95 HydrophobicContact CG2-CG2 4.36Å; E77-T95 HydrophobicContact CB-CG2 3.67Å; E77-T95 HydrophobicContact CG-CG2 4.08Å; V79-T95 HydrophobicContact CG2-CG2 3.89Å; N91-T95 PolarHBondContact O-N 2.87Å; N91-T95 PolarHBondContact O-OG1 3.16Å; T95-R97 PolarHBondContact O-N 3.46Å; T95-D98 PolarHBondContact O-N 3.31Å; T95-V99 WeakPolarHBondContact O-CG2 3.29Å; T95-V99 PolarHBondContact O-N 2.82Å
96S98.6Very high96Very high0 Ų059.8 Ų59.80%029%0.285CS..Hα-helixtrans-60.2-43.4174.9-61.70000112.3I92 V93 R94 V99 F100I92-S96 VanDerWaalsContact O-CB 3.3Å; I92-S96 WeakPolarHBondContact O-CB 3.4Å; I92-S96 PolarHBondContact O-N 2.9Å; I92-S96 PolarHBondContact O-OG 3.29Å; V93-S96 WeakPolarHBondContact O-CB 3.47Å; V93-S96 PolarHBondContact O-N 2.81Å; R94-S96 PolarHBondContact O-N 3.43Å; S96-V99 WeakPolarHBondContact O-CG2 3.22Å; S96-F100 WeakPolarHBondContact O-CB 3.25Å; S96-F100 PolarHBondContact O-N 2.88Å; S96-F100 VanDerWaalsContact O-N 3.11Å
97R98.3Very high96.5Very high128 Ų12855.3 Ų55.348%0.48326%0.262SS..Hα-helixtrans-66.7-38.8175.1-75.4-173.9-69.8-110.4-3112.5V93 R94 T95 V99 F100 F154V93-R97 VanDerWaalsContact CG1-NH1 3.33Å; V93-R97 PolarHBondContact O-N 3.5Å; R94-R97 WeakPolarHBondContact O-CA 3.24Å; R94-R97 WeakPolarHBondContact O-CB 3.48Å; R94-R97 PolarHBondContact O-N 3.48Å; T95-R97 PolarHBondContact O-N 3.46Å; R97-V99 PolarHBondContact O-N 2.59Å; R97-F100 PolarHBondContact O-N 3.16Å; R97-F154 HydrophobicContact CG-CE1 4.35Å; R97-F154 HydrophobicContact CG-CZ 3.94Å
98D98.4Very high96.9Very high115 Ų11549.3 Ų49.362%0.61523%0.234SC*.Hα-helixtrans-64.7-30.4-177.5-61.7-22.7000112.4R94 T95R94-D98 VanDerWaalsContact O-CG 3.23Å; R94-D98 PolarHBondContact O-N 2.9Å; T95-D98 PolarHBondContact O-N 3.31Å
99V98.1Very high97.2Very high7 Ų748.6 Ų48.64%0.04223%0.229CC..Hα-helixtrans-95.3-19.7178.2-59.50000114.4L19 A46 V48 E77 T95 S96 R97 M104L19-V99 HydrophobicContact CD1-CG2 3.63Å; A46-V99 HydrophobicContact CB-CB 3.85Å; A46-V99 HydrophobicContact CB-CG2 3.67Å; V48-V99 HydrophobicContact CG2-CG2 3.85Å; E77-V99 HydrophobicContact CB-CG1 4.35Å; E77-V99 HydrophobicContact CG-CG1 3.39Å; T95-V99 WeakPolarHBondContact O-CG2 3.29Å; T95-V99 PolarHBondContact O-N 2.82Å; S96-V99 WeakPolarHBondContact O-CG2 3.22Å; R97-V99 PolarHBondContact O-N 2.59Å; V99-M104 WeakPolarHBondContact O-CE 3.43Å
100F97.8Very high97.4Very high40 Ų4048.4 Ų48.418%0.17523%0.228CC..  trans-64.5144.8178.6-174.4-100.2000110.7L19 S96 R97 M104 I107 F154 L160L19-F100 HydrophobicContact CB-CD2 4.17Å; L19-F100 HydrophobicContact CD2-CB 4.23Å; L19-F100 HydrophobicContact CD2-CD2 4.01Å; S96-F100 WeakPolarHBondContact O-CB 3.25Å; S96-F100 PolarHBondContact O-N 2.88Å; S96-F100 VanDerWaalsContact O-N 3.11Å; R97-F100 PolarHBondContact O-N 3.16Å; F100-M104 HydrophobicContact CD2-CB 4.19Å; F100-M104 HydrophobicContact CD2-CG 4.47Å; F100-M104 HydrophobicContact CD2-SD 3.52Å; F100-M104 VanDerWaalsContact CD2-SD 3.52Å; F100-M104 HydrophobicContact CE2-CB 3.68Å; F100-M104 HydrophobicContact CE2-CG 4.42Å; F100-M104 HydrophobicContact CE2-SD 4Å; F100-M104 HydrophobicContact CG-SD 4.26Å; F100-M104 HydrophobicContact CZ-CB 4.32Å; F100-I107 HydrophobicContact CD2-CD1 3.71Å; F100-I107 HydrophobicContact CE2-CD1 3.4Å; F100-I107 VanDerWaalsContact CE2-CD1 3.4Å; F100-I107 HydrophobicContact CZ-CD1 4.41Å; F100-F154 HydrophobicContact CB-CE1 3.67Å; F100-F154 HydrophobicContact CB-CZ 4.14Å; F100-F154 HydrophobicContact CD1-CD1 4.22Å; F100-F154 AromaticContact CD1-CE1 3.82Å; F100-F154 HydrophobicContact CD1-CE1 3.82Å; F100-F154 HydrophobicContact CD2-CD1 4.13Å; F100-F154 AromaticContact CD2-CE1 3.78Å; F100-F154 HydrophobicContact CD2-CE1 3.78Å; F100-F154 HydrophobicContact CE1-CD1 4.39Å; F100-F154 HydrophobicContact CE1-CE1 4.44Å; F100-F154 HydrophobicContact CE2-CD1 4.32Å; F100-F154 HydrophobicContact CE2-CE1 4.42Å; F100-F154 HydrophobicContact CG-CD1 4.09Å; F100-F154 AromaticContact CG-CE1 3.45Å; F100-F154 HydrophobicContact CG-CE1 3.45Å; F100-F154 VanDerWaalsContact CG-CE1 3.45Å; F100-F154 HydrophobicContact CG-CZ 4.33Å; F100-F154 HydrophobicContact CZ-CD1 4.44Å; F100-L160 HydrophobicContact CE2-CD1 4.26Å; F100-L160 HydrophobicContact CZ-CD1 4.28Å; F100-L160 HydrophobicContact CZ-CD2 4.36Å
101N93.7Very high97.6Very high40 Ų4044.2 Ų44.221%0.21421%0.208CC..  trans-143.1157.517166.777.4000109.7G44 E103 M104G44-N101 PolarHBondContact O-ND2 2.94Å; N101-E103 PolarHBondContact O-N 3.32Å; N101-E103 VanDerWaalsContact O-N 3.08Å; N101-E103 VanDerWaalsContact OD1-CB 3.27Å; N101-E103 WeakPolarHBondContact OD1-CB 3.38Å; N101-E103 PolarHBondContact OD1-N 3.15Å; N101-E103 VanDerWaalsContact OD1-N 3.09Å; N101-M104 WeakPolarHBondContact ND2-CE 3.34Å; N101-M104 WeakPolarHBondContact O-CB 3.36Å; N101-M104 PolarHBondContact O-N 3.14Å
102D92.3Very high97.7Very high159 Ų15943.1 Ų43.185%0.8520%0.202SC*.THydrogen-bonded Turntrans-68.6-8.9-172.3-60.6-29.4000114M104D102-M104 VanDerWaalsContact C-N 3.3Å
103E94.9Very high97.6Very high132 Ų13244 Ų4462%0.61721%0.21SC*.THydrogen-bonded Turntrans-81.9-11.3172.9-50.7-176.6168.500112.7R17 N101R17-E103 PolarHBondContact NE-O 2.96Å; R17-E103 PolarHBondContact NH2-O 3.2Å; N101-E103 PolarHBondContact O-N 3.32Å; N101-E103 VanDerWaalsContact O-N 3.08Å; N101-E103 VanDerWaalsContact OD1-CB 3.27Å; N101-E103 WeakPolarHBondContact OD1-CB 3.38Å; N101-E103 PolarHBondContact OD1-N 3.15Å; N101-E103 VanDerWaalsContact OD1-N 3.09Å
104M97.4Very high97.6Very high5 Ų545.2 Ų45.23%0.02522%0.22CC..  trans-74.2129.9174.7-66.4178.3174.700110.5L19 G44 A46 V99 F100 N101 D102L19-M104 HydrophobicContact CB-SD 3.78Å; G44-M104 VanDerWaalsContact O-CE 3.26Å; G44-M104 WeakPolarHBondContact O-CE 3.33Å; A46-M104 HydrophobicContact CB-CE 3.56Å; V99-M104 WeakPolarHBondContact O-CE 3.43Å; F100-M104 HydrophobicContact CD2-CB 4.19Å; F100-M104 HydrophobicContact CD2-CG 4.47Å; F100-M104 HydrophobicContact CD2-SD 3.52Å; F100-M104 VanDerWaalsContact CD2-SD 3.52Å; F100-M104 HydrophobicContact CE2-CB 3.68Å; F100-M104 HydrophobicContact CE2-CG 4.42Å; F100-M104 HydrophobicContact CE2-SD 4Å; F100-M104 HydrophobicContact CG-SD 4.26Å; F100-M104 HydrophobicContact CZ-CB 4.32Å; N101-M104 WeakPolarHBondContact ND2-CE 3.34Å; N101-M104 WeakPolarHBondContact O-CB 3.36Å; N101-M104 PolarHBondContact O-N 3.14Å; D102-M104 VanDerWaalsContact C-N 3.3Å
105E97.3Very high97.6Very high64 Ų6440.5 Ų40.530%0.29921%0.208SC..  trans-104.5-5.8-173.1-56.7168.6-168.200111.9R17 G159 R161R17-E105 IonicContact CZ-OE1 3.4Å; R17-E105 IonicContact NH1-OE1 3.84Å; R17-E105 IonicContact NH2-OE1 3.72Å; R17-E105 PolarHBondContact NH2-OE1 2.93Å; R17-E105 PolarHBondContact O-N 3.11Å; E105-G159 WeakPolarHBondContact CA-O 3.45Å; E105-R161 PolarHBondContact O-N 2.9Å; E105-R161 IonicContact OE2-NH2 3.87Å
106K97.8Very high97.5Very high20 Ų2039.8 Ų39.89%0.08720%0.204CC..EExtended strand (participates in β ladder)trans-147.4136.6-173.6-164.7177.2-73.2167.80113.1L15 R17 A18 L19 I108 R161L15-K106 WeakPolarHBondContact O-CE 3.19Å; L15-K106 PolarHBondContact O-NZ 3.12Å; R17-K106 PolarHBondContact O-N 3.15Å; A18-K106 CarbonylContact C-O 3.49Å; A18-K106 WeakPolarHBondContact CA-O 3.33Å; A18-K106 HydrophobicContact CB-CB 3.99Å; L19-K106 PolarHBondContact N-O 3.2Å; K106-I108 HydrophobicContact CD-CD1 3.75Å; K106-I108 HydrophobicContact CD-CG1 3.79Å; K106-I108 HydrophobicContact CG-CD1 4.35Å; K106-I108 HydrophobicContact CG-CG1 3.86Å; K106-R161 CarbonylContact C-O 3.55Å; K106-R161 WeakPolarHBondContact CA-O 3.33Å; K106-R161 HydrophobicContact CG-CB 4.3Å
107I98.5Very high97.5Very high7 Ų741.1 Ų41.14%0.03622%0.217CC..EExtended strand (participates in β ladder)trans-108.7129.2164.2-49.8-60.9000108.5L19 F100 L150 F154 L160 R161 C163L19-I107 HydrophobicContact CB-CD1 3.72Å; L19-I107 HydrophobicContact CD2-CD1 4Å; L19-I107 HydrophobicContact CG-CD1 4.36Å; L19-I107 CarbonylContact O-C 3.46Å; L19-I107 WeakPolarHBondContact O-CA 3.42Å; F100-I107 HydrophobicContact CD2-CD1 3.71Å; F100-I107 HydrophobicContact CE2-CD1 3.4Å; F100-I107 VanDerWaalsContact CE2-CD1 3.4Å; F100-I107 HydrophobicContact CZ-CD1 4.41Å; I107-L150 HydrophobicContact CG2-CD2 3.78Å; I107-F154 HydrophobicContact CD1-CB 4.41Å; I107-F154 HydrophobicContact CD1-CD1 4.15Å; I107-F154 HydrophobicContact CD1-CG 4.12Å; I107-F154 HydrophobicContact CG1-CB 4.09Å; I107-F154 HydrophobicContact CG1-CG 4.29Å; I107-L160 HydrophobicContact CD1-CD1 4.08Å; I107-L160 HydrophobicContact CG1-CD1 3.87Å; I107-L160 HydrophobicContact CG1-CD2 4.11Å; I107-L160 HydrophobicContact CG1-CG 4.22Å; I107-R161 PolarHBondContact N-O 3.02Å; I107-C163 PolarHBondContact O-N 3.33Å
108I98.8Very high97.5Very high1 Ų137.8 Ų37.81%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-124115.8174.4-50.8-178.7000109L15 L19 C20 V21 L37 K106 I110 C163L15-I108 HydrophobicContact CD1-CD1 4.05Å; L19-I108 PolarHBondContact O-N 3.08Å; C20-I108 CarbonylContact C-O 3.54Å; C20-I108 WeakPolarHBondContact CA-O 3.44Å; V21-I108 PolarHBondContact N-O 2.92Å; L37-I108 HydrophobicContact CD2-CD1 4.45Å; K106-I108 HydrophobicContact CD-CD1 3.75Å; K106-I108 HydrophobicContact CD-CG1 3.79Å; K106-I108 HydrophobicContact CG-CD1 4.35Å; K106-I108 HydrophobicContact CG-CG1 3.86Å; I108-I110 HydrophobicContact CG2-CD1 3.67Å; I108-I110 HydrophobicContact CG2-CG1 4.31Å; I108-C163 CarbonylContact C-O 3.22Å; I108-C163 WeakPolarHBondContact CA-O 3.5Å; I108-C163 HydrophobicContact CG1-CB 4.43Å
109L98.9Very high97.5Very high1 Ų132.5 Ų32.51%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-103.2121.2172.1175.760.5000110.4V21 N111 L146 T147 L150 C163 V164 I165V21-L109 HydrophobicContact CB-CD1 3.91Å; V21-L109 HydrophobicContact CG1-CD1 3.95Å; L109-N111 WeakPolarHBondContact CD2-ND2 3.34Å; L109-L146 HydrophobicContact CD1-CD2 4.1Å; L109-L146 HydrophobicContact CD1-CG 4.33Å; L109-L146 HydrophobicContact CD2-CG 4.49Å; L109-T147 HydrophobicContact CD2-CG2 4.31Å; L109-T147 WeakPolarHBondContact CD2-OG1 3.3Å; L109-L150 HydrophobicContact CB-CD2 4Å; L109-L150 HydrophobicContact CD1-CD2 4.37Å; L109-L150 HydrophobicContact CD2-CB 4.46Å; L109-L150 HydrophobicContact CD2-CD2 4.31Å; L109-L150 HydrophobicContact CG-CD2 4.45Å; L109-C163 PolarHBondContact N-O 3.2Å; L109-V164 HydrophobicContact CB-CG2 4.19Å; L109-I165 PolarHBondContact O-N 3.09Å
110I98.9Very high97.5Very high0 Ų035.4 Ų35.40%020%0.201CC..EExtended strand (participates in β ladder)trans-105.7100.6172.7-45.4-64.6000109.6V21 I22 T23 V33 L37 I108 N112 I165 V167V21-I110 PolarHBondContact O-N 3.38Å; I22-I110 HydrophobicContact CG1-CB 4.35Å; I22-I110 HydrophobicContact CG1-CG1 4.1Å; I22-I110 HydrophobicContact CG2-CB 4.25Å; T23-I110 PolarHBondContact N-O 3.49Å; T23-I110 VanDerWaalsContact N-O 3.08Å; T23-I110 PolarHBondContact OG1-O 3.32Å; T23-I110 VanDerWaalsContact OG1-O 3.09Å; V33-I110 HydrophobicContact CG1-CG1 4.18Å; L37-I110 HydrophobicContact CD1-CG1 4.42Å; I108-I110 HydrophobicContact CG2-CD1 3.67Å; I108-I110 HydrophobicContact CG2-CG1 4.31Å; I110-N112 VanDerWaalsContact C-N 3.29Å; I110-N112 HydrophobicContact CG2-CB 3.96Å; I110-N112 PolarHBondContact O-N 3.46Å; I110-I165 HydrophobicContact CD1-CB 3.62Å; I110-I165 HydrophobicContact CD1-CG1 3.41Å; I110-I165 VanDerWaalsContact CD1-CG1 3.41Å; I110-I165 HydrophobicContact CD1-CG2 4.29Å; I110-V167 HydrophobicContact CG2-CG2 4.02Å
111N98.9Very high97.4Very high3 Ų335.7 Ų35.72%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-78.676.7171.3-73.3-69.6000110.2L109 A143 T147 I165 V167 R189 F193L109-N111 WeakPolarHBondContact CD2-ND2 3.34Å; N111-A143 HydrophobicContact CB-CB 4.28Å; N111-T147 PolarHBondContact ND2-OG1 2.83Å; N111-I165 PolarHBondContact N-O 3.44Å; N111-V167 PolarHBondContact O-N 3.32Å; N111-R189 PolarHBondContact O-NH2 3.41Å; N111-F193 HydrophobicContact CB-CZ 4.32Å; N111-F193 WeakPolarHBondContact ND2-CZ 3.02Å
112N98.8Very high97.6Very high24 Ų2438.2 Ų38.213%0.12821%0.21CC..  trans-98.6-27.4-179.1161.183.8000114.4T23 G24 G30 I110 A114 V167T23-N112 WeakPolarHBondContact O-CB 3.47Å; T23-N112 PolarHBondContact O-ND2 3.33Å; T23-N112 PolarHBondContact OG1-N 3.43Å; G24-N112 PolarHBondContact O-ND2 2.93Å; G30-N112 WeakPolarHBondContact CA-ND2 3.2Å; I110-N112 VanDerWaalsContact C-N 3.29Å; I110-N112 HydrophobicContact CG2-CB 3.96Å; I110-N112 PolarHBondContact O-N 3.46Å; N112-A114 PolarHBondContact O-N 3.42Å; N112-V167 HydrophobicContact CB-CB 4.29Å; N112-V167 HydrophobicContact CB-CG2 3.66Å
113A97.9Very high97.9Very high18 Ų1835.4 Ų35.415%0.14920%0.198CC..  trans-58.7124.1179.400000111.5T23 V83T23-A113 PolarHBondContact O-N 2.93Å; T23-A113 PolarHBondContact OG1-N 2.94Å; V83-A113 HydrophobicContact CG2-CB 4.1Å
114A97.6Very high98Very high31 Ų3138.3 Ų38.326%0.25621%0.209SC..  trans-157.2162.5177.500000110.6N112 N139N112-A114 PolarHBondContact O-N 3.42Å; A114-N139 VanDerWaalsContact CA-OD1 3.24Å; A114-N139 WeakPolarHBondContact CA-OD1 3.16Å; A114-N139 WeakPolarHBondContact CB-OD1 3.3Å
115S97.8Very high98Very high37 Ų3739.6 Ų39.626%0.25922%0.223SC..  trans-120.9159.216869.50000110.5G117 N139 Y182S115-G117 VanDerWaalsContact C-N 3.29Å; S115-N139 PolarHBondContact N-OD1 3.27Å; S115-N139 PolarHBondContact O-OD1 2.95Å; S115-N139 PolarHBondContact OG-ND2 3.23Å; S115-N139 VanDerWaalsContact OG-ND2 3.08Å; S115-Y182 WeakPolarHBondContact O-CD2 3.42Å
116L97.7Very high98.1Very high4 Ų438.2 Ų38.22%0.02122%0.216CC..  trans-76.1-21.7175.2-168.461.5000112.2V119 W179 Y182 M217 E220 A221L116-V119 HydrophobicContact CD1-CG1 4.24Å; L116-V119 HydrophobicContact CD2-CG1 3.89Å; L116-V119 HydrophobicContact CD2-CG2 3.84Å; L116-V119 HydrophobicContact CG-CG1 3.62Å; L116-V119 HydrophobicContact CG-CG2 4.42Å; L116-W179 HydrophobicContact CD1-CD2 4.34Å; L116-W179 HydrophobicContact CD1-CE3 3.9Å; L116-W179 HydrophobicContact CD1-CH2 3.62Å; L116-W179 HydrophobicContact CD1-CZ2 4.05Å; L116-W179 HydrophobicContact CD1-CZ3 3.53Å; L116-W179 HydrophobicContact CD2-CH2 4.43Å; L116-W179 HydrophobicContact CD2-CZ2 4.25Å; L116-Y182 HydrophobicContact CD1-CD1 4.37Å; L116-Y182 HydrophobicContact CD1-CD2 3.75Å; L116-Y182 HydrophobicContact CD1-CE2 4Å; L116-Y182 HydrophobicContact CD1-CG 3.91Å; L116-M217 HydrophobicContact CB-CG 4.29Å; L116-M217 HydrophobicContact CD1-CG 4.44Å; L116-E220 HydrophobicContact CD2-CB 4.14Å; L116-A221 HydrophobicContact CD2-CB 4.16Å
117G97.6Very high98.1Very high27 Ų2743.5 Ų43.528%0.27825%0.251SS..  trans72.5-175.4-167.300000112.1S115 V119S115-G117 VanDerWaalsContact C-N 3.29Å; G117-V119 PolarHBondContact O-N 3.4Å
118D97.8Very high98Very high59 Ų5947.3 Ų47.332%0.31627%0.271SS..  trans-80.197.6175.1-174.12.4000111.1S120 K121 F126D118-S120 VanDerWaalsContact C-N 3.28Å; D118-S120 WeakPolarHBondContact OD1-CA 3.26Å; D118-S120 VanDerWaalsContact OD1-CB 3.23Å; D118-S120 WeakPolarHBondContact OD1-CB 3.49Å; D118-S120 PolarHBondContact OD1-N 3.4Å; D118-S120 PolarHBondContact OD1-OG 3.05Å; D118-S120 PolarHBondContact OD2-OG 3.12Å; D118-K121 WeakPolarHBondContact OD2-CE 3.25Å; D118-K121 IonicContact OD2-NZ 2.91Å; D118-F126 HydrophobicContact CB-CE1 4.43Å; D118-F126 HydrophobicContact CB-CZ 4.49Å; D118-F126 WeakPolarHBondContact O-CZ 3.41Å
119V98.4Very high98Very high3 Ų354 Ų542%0.01830%0.304CS..THydrogen-bonded Turntrans-84.91.1176.1-67.30000113.8L116 G117 K121 S178 W179 K224 T225 A226L116-V119 HydrophobicContact CD1-CG1 4.24Å; L116-V119 HydrophobicContact CD2-CG1 3.89Å; L116-V119 HydrophobicContact CD2-CG2 3.84Å; L116-V119 HydrophobicContact CG-CG1 3.62Å; L116-V119 HydrophobicContact CG-CG2 4.42Å; G117-V119 PolarHBondContact O-N 3.4Å; V119-K121 VanDerWaalsContact C-N 3.29Å; V119-S178 WeakPolarHBondContact O-CB 3.44Å; V119-S178 PolarHBondContact O-OG 3.26Å; V119-W179 HydrophobicContact CG1-CD2 4.07Å; V119-W179 HydrophobicContact CG1-CG 3.88Å; V119-K224 HydrophobicContact CG2-CB 3.98Å; V119-T225 CarbonylContact O-C 3.56Å; V119-T225 WeakPolarHBondContact O-CA 3.29Å; V119-A226 PolarHBondContact O-N 3.46Å
120S98.1Very high98Very high68 Ų6857 Ų5748%0.47633%0.329SS..THydrogen-bonded Turntrans-83.1-5.618078.60000113.6D118 K224 A226D118-S120 VanDerWaalsContact C-N 3.28Å; D118-S120 WeakPolarHBondContact OD1-CA 3.26Å; D118-S120 VanDerWaalsContact OD1-CB 3.23Å; D118-S120 WeakPolarHBondContact OD1-CB 3.49Å; D118-S120 PolarHBondContact OD1-N 3.4Å; D118-S120 PolarHBondContact OD1-OG 3.05Å; D118-S120 PolarHBondContact OD2-OG 3.12Å; S120-K224 VanDerWaalsContact CA-O 3.29Å; S120-K224 WeakPolarHBondContact CA-O 3.46Å; S120-K224 WeakPolarHBondContact CB-O 3Å; S120-A226 VanDerWaalsContact C-CB 3.42Å; S120-A226 WeakPolarHBondContact O-CB 3.46Å
121K96.4Very high97.9Very high47 Ų4759.5 Ų59.520%0.20434%0.341CS..SBendtrans-128.7156.9174.359.3-178.1169-1750112.8D118 V119 F126 E131D118-K121 WeakPolarHBondContact OD2-CE 3.25Å; D118-K121 IonicContact OD2-NZ 2.91Å; V119-K121 VanDerWaalsContact C-N 3.29Å; K121-F126 HydrophobicContact CD-CD1 4.44Å; K121-F126 HydrophobicContact CD-CE1 4.21Å; K121-F126 HydrophobicContact CD-CE2 4.48Å; K121-F126 HydrophobicContact CD-CZ 4.24Å; K121-F126 HydrophobicContact CG-CE1 4.3Å; K121-F126 HydrophobicContact CG-CE2 3.98Å; K121-F126 HydrophobicContact CG-CZ 3.84Å; K121-E131 WeakPolarHBondContact CE-OE1 3.38Å; K121-E131 IonicContact NZ-OE1 3.87Å; K121-E131 PolarHBondContact NZ-OE1 2.96Å; K121-E131 IonicContact NZ-OE2 2.73Å; K121-E131 PolarHBondContact NZ-OE2 3.02Å
122Y98.4Very high97.9Very high93 Ų9361.1 Ų61.137%0.36535%0.351SS..  trans-84.5164.6176-65.7-93000111K124 G125 R177 A226 D227Y122-K124 PolarHBondContact O-N 2.92Å; Y122-K124 VanDerWaalsContact O-N 3.1Å; Y122-G125 WeakPolarHBondContact O-CA 3.31Å; Y122-G125 PolarHBondContact O-N 3.48Å; Y122-R177 HydrophobicContact CE1-CB 4.46Å; Y122-A226 HydrophobicContact CD2-CB 4.4Å; Y122-A226 HydrophobicContact CE2-CB 3.92Å; Y122-D227 HydrophobicContact CE1-CB 4.23Å; Y122-D227 WeakPolarHBondContact OH-CA 3.26Å
123V98.1Very high97.9Very high99 Ų9964.1 Ų64.160%0.637%0.366SS*.G310 helixtrans-48.1-43179.8174.70000112.5G125 F126V123-G125 PolarHBondContact O-N 2.93Å; V123-F126 PolarHBondContact O-N 3.48Å; V123-F126 VanDerWaalsContact O-N 3.12Å
124K97.8Very high97.8Very high193 Ų19366.2 Ų66.284%0.83938%0.384SS*.G310 helixtrans-61.5-12.8178.670.3175.3-174.3175.60115.2Y122Y122-K124 PolarHBondContact O-N 2.92Å; Y122-K124 VanDerWaalsContact O-N 3.1Å
125G97.6Very high97.8Very high32 Ų3265.4 Ų65.433%0.3337%0.374SS..G310 helixtrans-94.9-3.1179.100000114.4Y122 V123 T127Y122-G125 WeakPolarHBondContact O-CA 3.31Å; Y122-G125 PolarHBondContact O-N 3.48Å; V123-G125 PolarHBondContact O-N 2.93Å; G125-T127 PolarHBondContact O-N 3.42Å
126F97.6Very high97.9Very high35 Ų3566.1 Ų66.115%0.15438%0.375CS..  trans-88.479.5173.9-67.7-82.7000109.9D118 K121 V123 E131 V132 L181D118-F126 HydrophobicContact CB-CE1 4.43Å; D118-F126 HydrophobicContact CB-CZ 4.49Å; D118-F126 WeakPolarHBondContact O-CZ 3.41Å; K121-F126 HydrophobicContact CD-CD1 4.44Å; K121-F126 HydrophobicContact CD-CE1 4.21Å; K121-F126 HydrophobicContact CD-CE2 4.48Å; K121-F126 HydrophobicContact CD-CZ 4.24Å; K121-F126 HydrophobicContact CG-CE1 4.3Å; K121-F126 HydrophobicContact CG-CE2 3.98Å; K121-F126 HydrophobicContact CG-CZ 3.84Å; V123-F126 PolarHBondContact O-N 3.48Å; V123-F126 VanDerWaalsContact O-N 3.12Å; F126-E131 WeakPolarHBondContact CE1-OE1 3.3Å; F126-V132 HydrophobicContact CB-CG2 3.99Å; F126-V132 HydrophobicContact CD1-CG2 4.28Å; F126-V132 HydrophobicContact CG-CG2 4.47Å; F126-L181 HydrophobicContact CD1-CD1 3.96Å; F126-L181 HydrophobicContact CD1-CG 4.19Å; F126-L181 HydrophobicContact CE1-CD1 3.23Å; F126-L181 HydrophobicContact CE1-CD2 4.43Å; F126-L181 HydrophobicContact CE1-CG 3.65Å; F126-L181 HydrophobicContact CE2-CG 4.32Å; F126-L181 HydrophobicContact CZ-CD1 3.67Å; F126-L181 HydrophobicContact CZ-CG 3.72Å
127T97.9Very high97.8Very high132 Ų13268 Ų6881%0.8139%0.389SS*.  trans-99.7-8.5178.657.90000113.4G125G125-T127 PolarHBondContact O-N 3.42Å
128D97.9Very high97.8Very high87 Ų8768.7 Ų68.747%0.46539%0.386SS..  trans-97.4115.1175.5-179.15.3000109.8A130 E131 V132D128-A130 VanDerWaalsContact C-N 3.31Å; D128-A130 PolarHBondContact O-N 3.3Å; D128-A130 WeakPolarHBondContact OD1-CB 3.44Å; D128-A130 PolarHBondContact OD1-N 3.01Å; D128-E131 HydrophobicContact CB-CB 4.3Å; D128-E131 PolarHBondContact O-N 2.96Å; D128-V132 PolarHBondContact O-N 3.29Å
129M98.1Very high97.8Very high140 Ų14066 Ų6669%0.6937%0.371SS*.Hα-helixtrans-63.7-36.1177-78.1174.538.900112.3E131 V132 D133M129-E131 PolarHBondContact O-N 2.66Å; M129-V132 PolarHBondContact O-N 2.88Å; M129-V132 VanDerWaalsContact O-N 3.14Å; M129-D133 VanDerWaalsContact O-CB 3.31Å; M129-D133 WeakPolarHBondContact O-CB 3.27Å; M129-D133 PolarHBondContact O-N 3.09Å
130A98.2Very high97.8Very high64 Ų6466.9 Ų66.953%0.52938%0.377SS..Hα-helixtrans-63.2-35.5-176.400000111.6D128 A134D128-A130 VanDerWaalsContact C-N 3.31Å; D128-A130 PolarHBondContact O-N 3.3Å; D128-A130 WeakPolarHBondContact OD1-CB 3.44Å; D128-A130 PolarHBondContact OD1-N 3.01Å; A130-A134 WeakPolarHBondContact O-CB 3.5Å; A130-A134 PolarHBondContact O-N 2.73Å
131E97.6Very high97.9Very high54 Ų5466.3 Ų66.325%0.25237%0.373SS..Hα-helixtrans-65-47.8173.6-178-172-178.700112.2K121 F126 D128 M129 A134 Y135K121-E131 WeakPolarHBondContact CE-OE1 3.38Å; K121-E131 IonicContact NZ-OE1 3.87Å; K121-E131 PolarHBondContact NZ-OE1 2.96Å; K121-E131 IonicContact NZ-OE2 2.73Å; K121-E131 PolarHBondContact NZ-OE2 3.02Å; F126-E131 WeakPolarHBondContact CE1-OE1 3.3Å; D128-E131 HydrophobicContact CB-CB 4.3Å; D128-E131 PolarHBondContact O-N 2.96Å; M129-E131 PolarHBondContact O-N 2.66Å; E131-A134 PolarHBondContact O-N 2.82Å; E131-Y135 PolarHBondContact O-N 3.19Å; E131-Y135 VanDerWaalsContact O-N 3.08Å
132V98.4Very high97.9Very high37 Ų3764.5 Ų64.522%0.22437%0.366CS..Hα-helixtrans-64.4-45.2179.9178.50000110.4F126 D128 M129 Y135 L136 L181F126-V132 HydrophobicContact CB-CG2 3.99Å; F126-V132 HydrophobicContact CD1-CG2 4.28Å; F126-V132 HydrophobicContact CG-CG2 4.47Å; D128-V132 PolarHBondContact O-N 3.29Å; M129-V132 PolarHBondContact O-N 2.88Å; M129-V132 VanDerWaalsContact O-N 3.14Å; V132-Y135 WeakPolarHBondContact O-CB 3.32Å; V132-Y135 PolarHBondContact O-N 3.48Å; V132-L136 HydrophobicContact CG1-CD1 3.99Å; V132-L136 HydrophobicContact CG1-CG 4.4Å; V132-L136 WeakPolarHBondContact O-CG 3.14Å; V132-L136 PolarHBondContact O-N 3.09Å; V132-L181 HydrophobicContact CB-CD2 4.47Å; V132-L181 HydrophobicContact CG1-CD2 4.08Å; V132-L181 HydrophobicContact CG2-CD2 4.3Å
133D97.9Very high97.9Very high86 Ų8660.1 Ų60.146%0.4635%0.349SS..Hα-helixtrans-64.8-41.1179.6-69.7-17.8000111.4M129 Y135 L136 S137M129-D133 VanDerWaalsContact O-CB 3.31Å; M129-D133 WeakPolarHBondContact O-CB 3.27Å; M129-D133 PolarHBondContact O-N 3.09Å; D133-Y135 VanDerWaalsContact C-N 3.32Å; D133-Y135 PolarHBondContact O-N 2.72Å; D133-L136 PolarHBondContact O-N 3.08Å; D133-S137 WeakPolarHBondContact O-CB 3.44Å; D133-S137 PolarHBondContact O-N 2.75Å
134A97.2Very high98Very high63 Ų6359.9 Ų59.952%0.52134%0.342SS..Hα-helixtrans-61.9-40.9174.600000111.7A130 E131 L138A130-A134 WeakPolarHBondContact O-CB 3.5Å; A130-A134 PolarHBondContact O-N 2.73Å; E131-A134 PolarHBondContact O-N 2.82Å; A134-L138 PolarHBondContact O-N 2.8Å; A134-L138 VanDerWaalsContact O-N 3.14Å
135Y98.1Very high98Very high13 Ų1353.1 Ų53.15%0.05132%0.319CS..Hα-helixtrans-63.6-48.3175.4177.4-87.3000112E131 V132 D133 L138 N139 L181 Y182E131-Y135 PolarHBondContact O-N 3.19Å; E131-Y135 VanDerWaalsContact O-N 3.08Å; V132-Y135 WeakPolarHBondContact O-CB 3.32Å; V132-Y135 PolarHBondContact O-N 3.48Å; D133-Y135 VanDerWaalsContact C-N 3.32Å; D133-Y135 PolarHBondContact O-N 2.72Å; Y135-L138 PolarHBondContact O-N 3.01Å; Y135-N139 WeakPolarHBondContact CD2-ND2 3.5Å; Y135-N139 HydrophobicContact CE1-CB 4.09Å; Y135-N139 WeakPolarHBondContact CE2-ND2 3.06Å; Y135-N139 WeakPolarHBondContact O-CB 3.13Å; Y135-N139 PolarHBondContact O-N 2.98Å; Y135-N139 PolarHBondContact O-ND2 3.33Å; Y135-L181 HydrophobicContact CD1-CB 3.74Å; Y135-L181 HydrophobicContact CD1-CD1 4.31Å; Y135-L181 HydrophobicContact CD1-CD2 3.92Å; Y135-L181 HydrophobicContact CD1-CG 4.21Å; Y135-L181 HydrophobicContact CD2-CB 4.01Å; Y135-L181 HydrophobicContact CD2-CD1 3.96Å; Y135-L181 HydrophobicContact CE1-CB 3.74Å; Y135-L181 WeakPolarHBondContact CE1-O 3.35Å; Y135-L181 HydrophobicContact CE2-CB 3.99Å; Y135-L181 HydrophobicContact CG-CB 3.9Å; Y135-L181 HydrophobicContact CG-CD1 3.76Å; Y135-L181 HydrophobicContact CG-CD2 4.15Å; Y135-L181 HydrophobicContact CG-CG 4.17Å; Y135-L181 PolarHBondContact OH-O 3.09Å; Y135-Y182 VanDerWaalsContact OH-CA 3.25Å; Y135-Y182 WeakPolarHBondContact OH-CA 3.37Å
136L98.3Very high98Very high52 Ų5251.7 Ų51.727%0.27230%0.304SS..Hα-helixtrans-66.9-38.4-179.5-69176.2000111.7V132 D133 L138 N139 V140 S141V132-L136 HydrophobicContact CG1-CD1 3.99Å; V132-L136 HydrophobicContact CG1-CG 4.4Å; V132-L136 WeakPolarHBondContact O-CG 3.14Å; V132-L136 PolarHBondContact O-N 3.09Å; D133-L136 PolarHBondContact O-N 3.08Å; L136-L138 PolarHBondContact O-N 2.8Å; L136-N139 PolarHBondContact O-N 2.69Å; L136-V140 HydrophobicContact CD2-CG2 3.97Å; L136-V140 WeakPolarHBondContact O-CA 3.47Å; L136-V140 WeakPolarHBondContact O-CB 3.29Å; L136-V140 PolarHBondContact O-N 3.11Å; L136-S141 PolarHBondContact O-N 2.8Å
137S97.1Very high98.1Very high45 Ų4550.2 Ų50.232%0.31530%0.297SS..Iπ-helixtrans-58.4-49175-177.90000111.3D133 S142D133-S137 WeakPolarHBondContact O-CB 3.44Å; D133-S137 PolarHBondContact O-N 2.75Å; S137-S142 WeakPolarHBondContact O-CB 3.29Å; S137-S142 PolarHBondContact O-N 3.32Å
138L97.1Very high98.1Very high41 Ų4146 Ų4622%0.21528%0.276CS..Iπ-helixtrans-66.2-46.3177.9175.164.3000112.6V83 A134 Y135 L136 S142V83-L138 HydrophobicContact CG2-CD1 3.76Å; A134-L138 PolarHBondContact O-N 2.8Å; A134-L138 VanDerWaalsContact O-N 3.14Å; Y135-L138 PolarHBondContact O-N 3.01Å; L136-L138 PolarHBondContact O-N 2.8Å; L138-S142 WeakPolarHBondContact O-CB 3.14Å; L138-S142 PolarHBondContact O-OG 3.14Å
139N98.4Very high98.1Very high2 Ų245.4 Ų45.41%0.01127%0.267CS..Iπ-helixtrans-92.8-28.9-166.9-71.8-83.6000113.8A114 S115 Y135 L136 R189A114-N139 VanDerWaalsContact CA-OD1 3.24Å; A114-N139 WeakPolarHBondContact CA-OD1 3.16Å; A114-N139 WeakPolarHBondContact CB-OD1 3.3Å; S115-N139 PolarHBondContact N-OD1 3.27Å; S115-N139 PolarHBondContact O-OD1 2.95Å; S115-N139 PolarHBondContact OG-ND2 3.23Å; S115-N139 VanDerWaalsContact OG-ND2 3.08Å; Y135-N139 WeakPolarHBondContact CD2-ND2 3.5Å; Y135-N139 HydrophobicContact CE1-CB 4.09Å; Y135-N139 WeakPolarHBondContact CE2-ND2 3.06Å; Y135-N139 WeakPolarHBondContact O-CB 3.13Å; Y135-N139 PolarHBondContact O-N 2.98Å; Y135-N139 PolarHBondContact O-ND2 3.33Å; L136-N139 PolarHBondContact O-N 2.69Å; N139-R189 VanDerWaalsContact O-CD 3.26Å; N139-R189 WeakPolarHBondContact O-CD 3.26Å; N139-R189 PolarHBondContact O-NH1 3.35Å
140V98.5Very high98.2Very high21 Ų2139 Ų3913%0.12724%0.235CC..Iπ-helixtrans-112.2-63-174.2-175.30000110.2L136 S142 A143 M144 A188 M192L136-V140 HydrophobicContact CD2-CG2 3.97Å; L136-V140 WeakPolarHBondContact O-CA 3.47Å; L136-V140 WeakPolarHBondContact O-CB 3.29Å; L136-V140 PolarHBondContact O-N 3.11Å; V140-S142 VanDerWaalsContact C-N 3.34Å; V140-S142 PolarHBondContact O-N 3.49Å; V140-A143 PolarHBondContact O-N 2.98Å; V140-M144 PolarHBondContact O-N 2.92Å; V140-M144 VanDerWaalsContact O-N 3.09Å; V140-A188 HydrophobicContact CG1-CB 4.23Å; V140-A188 HydrophobicContact CG2-CB 4.17Å; V140-M192 HydrophobicContact CG1-SD 4.37Å
141S98.3Very high98.2Very high56 Ų5637 Ų3739%0.39222%0.216SC..Iπ-helixtrans-61.9-40.9-172.9-51.10000112.2L136 A143 M144 C145L136-S141 PolarHBondContact O-N 2.8Å; S141-A143 VanDerWaalsContact C-N 3.34Å; S141-A143 PolarHBondContact O-N 2.85Å; S141-M144 PolarHBondContact O-N 3.12Å; S141-C145 VanDerWaalsContact O-CB 3.3Å; S141-C145 WeakPolarHBondContact O-CB 3.45Å; S141-C145 PolarHBondContact O-N 3.21Å; S141-C145 PolarHBondContact O-SG 2.89Å
142S98.1Very high98.2Very high9 Ų941.8 Ų41.86%0.06324%0.238CC..Hα-helixtrans-58.6-43.8178.274.90000112.8V83 S137 L138 V140 L146V83-S142 WeakPolarHBondContact O-CB 3.39Å; S137-S142 WeakPolarHBondContact O-CB 3.29Å; S137-S142 PolarHBondContact O-N 3.32Å; L138-S142 WeakPolarHBondContact O-CB 3.14Å; L138-S142 PolarHBondContact O-OG 3.14Å; V140-S142 VanDerWaalsContact C-N 3.34Å; V140-S142 PolarHBondContact O-N 3.49Å; S142-L146 WeakPolarHBondContact O-CB 3.43Å; S142-L146 PolarHBondContact O-N 3.43Å
143A98.4Very high98.2Very high1 Ų141.2 Ų41.21%0.00824%0.237CC..Hα-helixtrans-72.3-37.2-17800000111.4N111 V140 S141 T147N111-A143 HydrophobicContact CB-CB 4.28Å; V140-A143 PolarHBondContact O-N 2.98Å; S141-A143 VanDerWaalsContact C-N 3.34Å; S141-A143 PolarHBondContact O-N 2.85Å; A143-T147 VanDerWaalsContact O-CB 3.22Å; A143-T147 WeakPolarHBondContact O-CB 3.38Å; A143-T147 PolarHBondContact O-N 3.46Å; A143-T147 PolarHBondContact O-OG1 2.91Å
144M98.5Very high98.1Very high94 Ų9437.6 Ų37.646%0.46322%0.218SC..Hα-helixtrans-61.6-54.6172.4-173.7175.6-79.100111.1V140 S141 L146 T147 A148 M192V140-M144 PolarHBondContact O-N 2.92Å; V140-M144 VanDerWaalsContact O-N 3.09Å; S141-M144 PolarHBondContact O-N 3.12Å; M144-L146 PolarHBondContact O-N 2.9Å; M144-T147 PolarHBondContact O-N 3.09Å; M144-A148 WeakPolarHBondContact O-CB 3.29Å; M144-A148 PolarHBondContact O-N 3.4Å; M144-M192 HydrophobicContact CB-CE 3.33Å; M144-M192 HydrophobicContact CB-SD 4.23Å; M144-M192 HydrophobicContact CE-CB 3.74Å; M144-M192 HydrophobicContact CE-CE 3.84Å; M144-M192 HydrophobicContact CE-CG 4.36Å; M144-M192 HydrophobicContact CE-SD 3.96Å; M144-M192 HydrophobicContact CG-CE 3.76Å
145C98.5Very high98.1Very high51 Ų5138.4 Ų38.435%0.34522%0.217SC..Hα-helixtrans-64.3-41-178-71.30000112.2L89 S141 R149L89-C145 HydrophobicContact CD1-CB 3.51Å; S141-C145 VanDerWaalsContact O-CB 3.3Å; S141-C145 WeakPolarHBondContact O-CB 3.45Å; S141-C145 PolarHBondContact O-N 3.21Å; S141-C145 PolarHBondContact O-SG 2.89Å; C145-R149 VanDerWaalsContact O-CB 3.29Å; C145-R149 WeakPolarHBondContact O-CB 3.26Å; C145-R149 WeakPolarHBondContact O-CG 3.21Å; C145-R149 PolarHBondContact O-N 2.91Å
146L98.7Very high97.8Very high2 Ų239.9 Ų39.91%0.0123%0.233CC..Hα-helixtrans-64.1-46.4177-179.157.5000110.8T23 L89 I92 V93 L109 S142 M144 R149 L150T23-L146 HydrophobicContact CG2-CD2 3.49Å; T23-L146 VanDerWaalsContact CG2-CD2 3.49Å; L89-L146 HydrophobicContact CD2-CB 4.14Å; L89-L146 HydrophobicContact CD2-CD1 4.43Å; I92-L146 HydrophobicContact CB-CD1 4.25Å; I92-L146 HydrophobicContact CD1-CD1 4.32Å; I92-L146 HydrophobicContact CD1-CD2 4.47Å; I92-L146 HydrophobicContact CG2-CD1 3.87Å; V93-L146 HydrophobicContact CG2-CD1 4.42Å; L109-L146 HydrophobicContact CD1-CD2 4.1Å; L109-L146 HydrophobicContact CD1-CG 4.33Å; L109-L146 HydrophobicContact CD2-CG 4.49Å; S142-L146 WeakPolarHBondContact O-CB 3.43Å; S142-L146 PolarHBondContact O-N 3.43Å; M144-L146 PolarHBondContact O-N 2.9Å; L146-R149 PolarHBondContact O-N 3.2Å; L146-L150 HydrophobicContact CD1-CD1 4.45Å; L146-L150 WeakPolarHBondContact O-CB 3.48Å; L146-L150 PolarHBondContact O-N 3.37Å
147T98.8Very high97.5Very high4 Ų442.5 Ų42.53%0.02524%0.243CC..Hα-helixtrans-59.1-51.6178-57.70000110.8L109 N111 A143 M144 R149 L150 L151 V164 L196L109-T147 HydrophobicContact CD2-CG2 4.31Å; L109-T147 WeakPolarHBondContact CD2-OG1 3.3Å; N111-T147 PolarHBondContact ND2-OG1 2.83Å; A143-T147 VanDerWaalsContact O-CB 3.22Å; A143-T147 WeakPolarHBondContact O-CB 3.38Å; A143-T147 PolarHBondContact O-N 3.46Å; A143-T147 PolarHBondContact O-OG1 2.91Å; M144-T147 PolarHBondContact O-N 3.09Å; T147-R149 PolarHBondContact O-N 3.2Å; T147-L150 PolarHBondContact O-N 3.33Å; T147-L151 HydrophobicContact CG2-CD1 3.89Å; T147-L151 HydrophobicContact CG2-CG 4.41Å; T147-L151 WeakPolarHBondContact O-CB 3.48Å; T147-L151 VanDerWaalsContact O-CG 3.3Å; T147-L151 WeakPolarHBondContact O-CG 3.22Å; T147-L151 PolarHBondContact O-N 3.2Å; T147-V164 HydrophobicContact CG2-CG1 3.88Å; T147-V164 HydrophobicContact CG2-CG2 4.11Å; T147-L196 HydrophobicContact CG2-CD2 3.66Å
148A98.5Very high97.2Very high43 Ų4345.2 Ų45.236%0.35527%0.268SS..Hα-helixtrans-58.2-47.7178.500000112.2M144 L150 L151 Q152M144-A148 WeakPolarHBondContact O-CB 3.29Å; M144-A148 PolarHBondContact O-N 3.4Å; A148-L150 PolarHBondContact O-N 3.37Å; A148-L151 PolarHBondContact O-N 3.4Å; A148-Q152 WeakPolarHBondContact O-CB 3.49Å; A148-Q152 VanDerWaalsContact O-CG 3.27Å; A148-Q152 WeakPolarHBondContact O-CG 3.34Å; A148-Q152 PolarHBondContact O-N 3.25Å
149R98.4Very high96.9Very high76 Ų7646.3 Ų46.329%0.28729%0.289SS..Hα-helixtrans-66.1-36.7-179.7-72.5174.4166.5-93.515.2112.7L86 E90 V93 C145 L146 T147 A153L86-R149 VanDerWaalsContact CD1-NH2 3.27Å; E90-R149 IonicContact OE1-CZ 2.95Å; E90-R149 IonicContact OE1-NH1 3.82Å; E90-R149 PolarHBondContact OE1-NH1 3.09Å; E90-R149 IonicContact OE1-NH2 3.77Å; E90-R149 PolarHBondContact OE1-NH2 2.62Å; V93-R149 HydrophobicContact CG2-CB 3.89Å; C145-R149 VanDerWaalsContact O-CB 3.29Å; C145-R149 WeakPolarHBondContact O-CB 3.26Å; C145-R149 WeakPolarHBondContact O-CG 3.21Å; C145-R149 PolarHBondContact O-N 2.91Å; L146-R149 PolarHBondContact O-N 3.2Å; T147-R149 PolarHBondContact O-N 3.2Å; R149-A153 WeakPolarHBondContact O-CB 3.19Å; R149-A153 PolarHBondContact O-N 2.89Å
150L98.4Very high96.8Very high4 Ų446.9 Ų46.92%0.02129%0.292CS..Hα-helixtrans-68.1-45.4176.9-146.796000110.6V21 V93 I107 L109 L146 T147 A148 Q152 A153 F154V21-L150 HydrophobicContact CG2-CD1 4.11Å; V21-L150 HydrophobicContact CG2-CD2 4.18Å; V93-L150 HydrophobicContact CG2-CD1 4.31Å; I107-L150 HydrophobicContact CG2-CD2 3.78Å; L109-L150 HydrophobicContact CB-CD2 4Å; L109-L150 HydrophobicContact CD1-CD2 4.37Å; L109-L150 HydrophobicContact CD2-CB 4.46Å; L109-L150 HydrophobicContact CD2-CD2 4.31Å; L109-L150 HydrophobicContact CG-CD2 4.45Å; L146-L150 HydrophobicContact CD1-CD1 4.45Å; L146-L150 WeakPolarHBondContact O-CB 3.48Å; L146-L150 PolarHBondContact O-N 3.37Å; T147-L150 PolarHBondContact O-N 3.33Å; A148-L150 PolarHBondContact O-N 3.37Å; L150-Q152 VanDerWaalsContact C-N 3.32Å; L150-Q152 PolarHBondContact O-N 3.43Å; L150-A153 PolarHBondContact O-N 3.32Å; L150-A153 VanDerWaalsContact O-N 3.12Å; L150-F154 HydrophobicContact CG-CD2 4.09Å; L150-F154 HydrophobicContact CG-CE2 4.21Å; L150-F154 VanDerWaalsContact O-CD2 3.29Å; L150-F154 WeakPolarHBondContact O-CD2 3.43Å; L150-F154 PolarHBondContact O-N 3.11Å
151L98.4Very high96.7Very high23 Ų2351.7 Ų51.712%0.1231%0.308CS..Hα-helixtrans-65.1-34.2178.3-66.9176.4000112.6T147 A148 F154 V164 L196 L203T147-L151 HydrophobicContact CG2-CD1 3.89Å; T147-L151 HydrophobicContact CG2-CG 4.41Å; T147-L151 WeakPolarHBondContact O-CB 3.48Å; T147-L151 VanDerWaalsContact O-CG 3.3Å; T147-L151 WeakPolarHBondContact O-CG 3.22Å; T147-L151 PolarHBondContact O-N 3.2Å; A148-L151 PolarHBondContact O-N 3.4Å; L151-F154 CarbonylContact O-C 3.58Å; L151-F154 VanDerWaalsContact O-C 3.22Å; L151-F154 PolarHBondContact O-N 3.49Å; L151-F154 VanDerWaalsContact O-O 3.12Å; L151-V164 HydrophobicContact CD2-CG2 4.32Å; L151-L196 HydrophobicContact CD1-CD1 4.09Å; L151-L196 HydrophobicContact CD1-CD2 4.39Å; L151-L203 HydrophobicContact CD1-CD2 3.75Å; L151-L203 HydrophobicContact CD2-CD1 3.81Å; L151-L203 HydrophobicContact CD2-CD2 4.3Å
152Q97.8Very high96.7Very high154 Ų15449.7 Ų49.772%0.7229%0.292SS*.Hα-helixtrans-68.9-34.7171.9-73.4172.510.700112.7A148 L150 F154A148-Q152 WeakPolarHBondContact O-CB 3.49Å; A148-Q152 VanDerWaalsContact O-CG 3.27Å; A148-Q152 WeakPolarHBondContact O-CG 3.34Å; A148-Q152 PolarHBondContact O-N 3.25Å; L150-Q152 VanDerWaalsContact C-N 3.32Å; L150-Q152 PolarHBondContact O-N 3.43Å; Q152-F154 VanDerWaalsContact C-N 3.34Å
153A97.9Very high96.7Very high25 Ų2549.9 Ų49.921%0.20729%0.293CS..Hα-helixtrans-74-26.2177.500000113V93 R149 L150V93-A153 HydrophobicContact CG1-CB 3.54Å; R149-A153 WeakPolarHBondContact O-CB 3.19Å; R149-A153 PolarHBondContact O-N 2.89Å; L150-A153 PolarHBondContact O-N 3.32Å; L150-A153 VanDerWaalsContact O-N 3.12Å
154F97.3Very high96.7Very high11 Ų1150 Ų505%0.04829%0.294CS..SBendtrans-127.274.8179.2-56.2-75.1000109.7L19 R97 F100 I107 L150 L151 Q152 L160 R162L19-F154 HydrophobicContact CD2-CE1 4.22Å; L19-F154 HydrophobicContact CD2-CE2 3.96Å; L19-F154 HydrophobicContact CD2-CZ 3.67Å; R97-F154 HydrophobicContact CG-CE1 4.35Å; R97-F154 HydrophobicContact CG-CZ 3.94Å; F100-F154 HydrophobicContact CB-CE1 3.67Å; F100-F154 HydrophobicContact CB-CZ 4.14Å; F100-F154 HydrophobicContact CD1-CD1 4.22Å; F100-F154 AromaticContact CD1-CE1 3.82Å; F100-F154 HydrophobicContact CD1-CE1 3.82Å; F100-F154 HydrophobicContact CD2-CD1 4.13Å; F100-F154 AromaticContact CD2-CE1 3.78Å; F100-F154 HydrophobicContact CD2-CE1 3.78Å; F100-F154 HydrophobicContact CE1-CD1 4.39Å; F100-F154 HydrophobicContact CE1-CE1 4.44Å; F100-F154 HydrophobicContact CE2-CD1 4.32Å; F100-F154 HydrophobicContact CE2-CE1 4.42Å; F100-F154 HydrophobicContact CG-CD1 4.09Å; F100-F154 AromaticContact CG-CE1 3.45Å; F100-F154 HydrophobicContact CG-CE1 3.45Å; F100-F154 VanDerWaalsContact CG-CE1 3.45Å; F100-F154 HydrophobicContact CG-CZ 4.33Å; F100-F154 HydrophobicContact CZ-CD1 4.44Å; I107-F154 HydrophobicContact CD1-CB 4.41Å; I107-F154 HydrophobicContact CD1-CD1 4.15Å; I107-F154 HydrophobicContact CD1-CG 4.12Å; I107-F154 HydrophobicContact CG1-CB 4.09Å; I107-F154 HydrophobicContact CG1-CG 4.29Å; L150-F154 HydrophobicContact CG-CD2 4.09Å; L150-F154 HydrophobicContact CG-CE2 4.21Å; L150-F154 VanDerWaalsContact O-CD2 3.29Å; L150-F154 WeakPolarHBondContact O-CD2 3.43Å; L150-F154 PolarHBondContact O-N 3.11Å; L151-F154 CarbonylContact O-C 3.58Å; L151-F154 VanDerWaalsContact O-C 3.22Å; L151-F154 PolarHBondContact O-N 3.49Å; L151-F154 VanDerWaalsContact O-O 3.12Å; Q152-F154 VanDerWaalsContact C-N 3.34Å; F154-L160 HydrophobicContact CB-CD2 4.45Å; F154-R162 WeakPolarHBondContact O-CD 3.3Å
155P95.7Very high96.8Very high79 Ų7945.5 Ų45.551%0.51327%0.272SS..  trans-63.9158.7-178.128.2-35.3000111.6H157P155-H157 PolarHBondContact O-N 3.15Å
156A92.1Very high96.8Very high45 Ų4543 Ų4337%0.37226%0.255SS..  trans-60134.8175.700000111
157H91.9Very high96.8Very high107 Ų10743.4 Ų43.450%0.49526%0.257SS..BIsolated β-bridgetrans-155.3164.1164.96586000110.5P155 G159 L160P155-H157 PolarHBondContact O-N 3.15Å; H157-G159 PolarHBondContact O-N 2.98Å; H157-L160 VanDerWaalsContact CE1-CB 3.42Å; H157-L160 WeakPolarHBondContact CE1-CB 3.5Å; H157-L160 WeakPolarHBondContact NE2-CB 3.41Å; H157-L160 WeakPolarHBondContact NE2-CD2 3.5Å; H157-L160 PolarHBondContact O-N 3.01Å; H157-L160 VanDerWaalsContact O-N 3.15Å
158A90.9Very high96.8Very high101 Ų10143.3 Ų43.384%0.83526%0.257SS*.THydrogen-bonded Turntrans-56.1128.5175.400000110.3
159G90.8Very high96.8Very high64 Ų6442.2 Ų42.266%0.6625%0.246SC*.THydrogen-bonded Turntrans94.1-14.9179.900000115.5E105 H157E105-G159 WeakPolarHBondContact CA-O 3.45Å; H157-G159 PolarHBondContact O-N 2.98Å
160L96.1Very high96.8Very high14 Ų1441.8 Ų41.87%0.07325%0.25CC..BIsolated β-bridgetrans-109105.6177.4-174.463.5000111.6F100 I107 F154 H157F100-L160 HydrophobicContact CE2-CD1 4.26Å; F100-L160 HydrophobicContact CZ-CD1 4.28Å; F100-L160 HydrophobicContact CZ-CD2 4.36Å; I107-L160 HydrophobicContact CD1-CD1 4.08Å; I107-L160 HydrophobicContact CG1-CD1 3.87Å; I107-L160 HydrophobicContact CG1-CD2 4.11Å; I107-L160 HydrophobicContact CG1-CG 4.22Å; F154-L160 HydrophobicContact CB-CD2 4.45Å; H157-L160 VanDerWaalsContact CE1-CB 3.42Å; H157-L160 WeakPolarHBondContact CE1-CB 3.5Å; H157-L160 WeakPolarHBondContact NE2-CB 3.41Å; H157-L160 WeakPolarHBondContact NE2-CD2 3.5Å; H157-L160 PolarHBondContact O-N 3.01Å; H157-L160 VanDerWaalsContact O-N 3.15Å
161R96.9Very high96.8Very high122 Ų12241.9 Ų41.946%0.4625%0.25SS..EExtended strand (participates in β ladder)trans-81142.7171.9-67.3175-71.3178-6.5109.9E105 K106 I107E105-R161 PolarHBondContact O-N 2.9Å; E105-R161 IonicContact OE2-NH2 3.87Å; K106-R161 CarbonylContact C-O 3.55Å; K106-R161 WeakPolarHBondContact CA-O 3.33Å; K106-R161 HydrophobicContact CG-CB 4.3Å; I107-R161 PolarHBondContact N-O 3.02Å
162R98.3Very high96.8Very high15 Ų1541.4 Ų41.46%0.05725%0.25CS..EExtended strand (participates in β ladder)trans-124.1133.6179.6-59.4173.9-61.3152.111.5108.8F154 E200 L203 R204F154-R162 WeakPolarHBondContact O-CD 3.3Å; R162-E200 IonicContact CZ-OE2 2.99Å; R162-E200 IonicContact NH1-OE2 2.64Å; R162-E200 IonicContact NH2-OE2 3.52Å; R162-E200 PolarHBondContact NH2-OE2 2.79Å; R162-L203 HydrophobicContact CB-CD1 3.43Å; R162-L203 VanDerWaalsContact CB-CD1 3.43Å; R162-L203 WeakPolarHBondContact O-CD1 3.25Å; R162-R204 PolarHBondContact O-N 2.99Å
163C98.7Very high96.8Very high12 Ų1238.9 Ų38.98%0.08124%0.241CC..EExtended strand (participates in β ladder)trans-135.7135179.4-174.50000110.5I107 I108 L109 R204I107-C163 PolarHBondContact O-N 3.33Å; I108-C163 CarbonylContact C-O 3.22Å; I108-C163 WeakPolarHBondContact CA-O 3.5Å; I108-C163 HydrophobicContact CG1-CB 4.43Å; L109-C163 PolarHBondContact N-O 3.2Å; C163-R204 CarbonylContact C-O 3.57Å; C163-R204 VanDerWaalsContact CA-O 3.24Å; C163-R204 WeakPolarHBondContact CA-O 3.42Å; C163-R204 HydrophobicContact CB-CB 4.17Å
164V98.9Very high96.8Very high3 Ų342.6 Ų42.62%0.01825%0.254CS..EExtended strand (participates in β ladder)trans-131.3118.5-175.3165.40000108.7L109 T147 L151 F193 L196 L203 R204 V205 L206L109-V164 HydrophobicContact CB-CG2 4.19Å; T147-V164 HydrophobicContact CG2-CG1 3.88Å; T147-V164 HydrophobicContact CG2-CG2 4.11Å; L151-V164 HydrophobicContact CD2-CG2 4.32Å; V164-F193 HydrophobicContact CG1-CD1 3.73Å; V164-F193 HydrophobicContact CG1-CE1 3.18Å; V164-F193 HydrophobicContact CG1-CZ 4.13Å; V164-L196 HydrophobicContact CG1-CD2 4.3Å; V164-L203 HydrophobicContact CG2-CD1 4.02Å; V164-L203 HydrophobicContact CG2-CD2 4.24Å; V164-R204 PolarHBondContact N-O 3.45Å; V164-V205 WeakPolarHBondContact O-CA 3.24Å; V164-L206 PolarHBondContact O-N 2.99Å
165I98.9Very high96.9Very high0 Ų047.9 Ų47.90%029%0.289CS..EExtended strand (participates in β ladder)trans-110119.6-178.2-49.2-57.1000109.5L109 I110 N111 L206 L253 L257L109-I165 PolarHBondContact O-N 3.09Å; I110-I165 HydrophobicContact CD1-CB 3.62Å; I110-I165 HydrophobicContact CD1-CG1 3.41Å; I110-I165 VanDerWaalsContact CD1-CG1 3.41Å; I110-I165 HydrophobicContact CD1-CG2 4.29Å; N111-I165 PolarHBondContact N-O 3.44Å; I165-L206 CarbonylContact C-O 3.51Å; I165-L206 WeakPolarHBondContact CA-O 3.35Å; I165-L206 HydrophobicContact CD1-CB 3.67Å; I165-L206 HydrophobicContact CD1-CD2 4.09Å; I165-L206 HydrophobicContact CD1-CG 4.3Å; I165-L253 HydrophobicContact CG2-CD1 4.19Å; I165-L253 HydrophobicContact CG2-CD2 4.48Å; I165-L257 HydrophobicContact CD1-CD2 3.81Å; I165-L257 HydrophobicContact CG1-CD2 4.33Å
166N98.9Very high97Very high0 Ų046.3 Ų46.30%027%0.274CS..EExtended strand (participates in β ladder)trans-90.5114.1164.516440.7000108.6S168 R189 D190 F193 L206 S207 Y208N166-S168 PolarHBondContact O-N 3.48Å; N166-R189 PolarHBondContact OD1-NE 2.55Å; N166-R189 PolarHBondContact OD1-NH2 2.99Å; N166-D190 PolarHBondContact ND2-OD1 2.8Å; N166-F193 HydrophobicContact CB-CD1 3.49Å; N166-F193 VanDerWaalsContact CB-CD1 3.49Å; N166-F193 HydrophobicContact CB-CD2 3.99Å; N166-F193 HydrophobicContact CB-CE1 3.52Å; N166-F193 HydrophobicContact CB-CE2 4.08Å; N166-F193 HydrophobicContact CB-CG 3.77Å; N166-F193 HydrophobicContact CB-CZ 3.89Å; N166-L206 PolarHBondContact N-O 3.46Å; N166-S207 WeakPolarHBondContact ND2-CB 3.48Å; N166-S207 PolarHBondContact ND2-OG 3.36Å; N166-S207 CarbonylContact O-C 3.59Å; N166-S207 WeakPolarHBondContact O-CA 3.45Å; N166-Y208 PolarHBondContact O-N 2.81Å
167V98.9Very high97.3Very high9 Ų952.1 Ų52.16%0.05529%0.287CS..EExtended strand (participates in β ladder)trans-74103168.6-177.50000108.3F29 I110 N111 N112 K186 Y208 P210F29-V167 HydrophobicContact CD1-CG1 4.02Å; F29-V167 HydrophobicContact CD1-CG2 4.16Å; F29-V167 HydrophobicContact CE1-CG1 4.15Å; F29-V167 HydrophobicContact CE1-CG2 3.95Å; I110-V167 HydrophobicContact CG2-CG2 4.02Å; N111-V167 PolarHBondContact O-N 3.32Å; N112-V167 HydrophobicContact CB-CB 4.29Å; N112-V167 HydrophobicContact CB-CG2 3.66Å; V167-K186 PolarHBondContact O-NZ 3.49Å; V167-Y208 CarbonylContact C-O 3.6Å; V167-P210 HydrophobicContact CG1-CG 3.97Å
168S98.7Very high97.6Very high2 Ų247.3 Ų47.31%0.01427%0.265CS..  trans-93.6-155.1-175.7-166.10000111.4N166 D190 Y208 P210 H267N166-S168 PolarHBondContact O-N 3.48Å; S168-D190 VanDerWaalsContact CB-OD1 3.25Å; S168-D190 WeakPolarHBondContact CB-OD1 3.03Å; S168-D190 VanDerWaalsContact OG-CG 3.24Å; S168-D190 PolarHBondContact OG-OD1 3.14Å; S168-D190 PolarHBondContact OG-OD2 2.73Å; S168-Y208 PolarHBondContact N-O 2.87Å; S168-P210 WeakPolarHBondContact O-CD 3.1Å; S168-H267 PolarHBondContact OG-CE1 3.2Å
169S98.7Very high98Very high20 Ų2043 Ų4314%0.1423%0.227CC..  trans-168.5155178.3176.70000109.2C171 A172 S209 H267S169-C171 PolarHBondContact O-N 3.39Å; S169-C171 PolarHBondContact OG-N 3.4Å; S169-C171 VanDerWaalsContact OG-N 3.09Å; S169-A172 VanDerWaalsContact O-CB 3.22Å; S169-A172 WeakPolarHBondContact O-CB 3.41Å; S169-A172 PolarHBondContact O-N 3.35Å; S169-S209 WeakPolarHBondContact CA-OG 3.43Å; S169-H267 PolarHBondContact O-CE1 3.09Å
170L98.2Very high98.3Very high68 Ų6840.6 Ų40.636%0.35620%0.202SC..G310 helixtrans-47.6-29.4161.9-17861.8000113.1A172 L173 Q174 F176 S209L170-A172 PolarHBondContact O-N 2.91Å; L170-A172 VanDerWaalsContact O-N 3.16Å; L170-L173 PolarHBondContact O-N 2.69Å; L170-Q174 HydrophobicContact CD1-CG 4.02Å; L170-Q174 HydrophobicContact CG-CB 4.43Å; L170-Q174 HydrophobicContact CG-CG 4.41Å; L170-Q174 PolarHBondContact O-N 3.05Å; L170-F176 HydrophobicContact CD2-CZ 4.29Å; L170-S209 PolarHBondContact N-OG 2.86Å
171C98.1Very high98.4Very high5 Ų540.6 Ų40.63%0.03420%0.202CC..G310 helixtrans-64.8-12.4175.4-67.60000114.3S169 L173 Y182 C183S169-C171 PolarHBondContact O-N 3.39Å; S169-C171 PolarHBondContact OG-N 3.4Å; S169-C171 VanDerWaalsContact OG-N 3.09Å; C171-L173 VanDerWaalsContact C-N 3.26Å; C171-Y182 HydrophobicContact CB-CD1 3.54Å; C171-Y182 HydrophobicContact CB-CE1 3.63Å; C171-C183 VanDerWaalsContact O-CA 3.28Å; C171-C183 WeakPolarHBondContact O-CA 3.35Å; C171-C183 WeakPolarHBondContact O-CB 3.49Å
172A98.5Very high98.5Very high14 Ų1435.7 Ų35.712%0.11618%0.184CC..G310 helixtrans-70.5-25.9168.700000112.3S169 L170 K186 A187 D190S169-A172 VanDerWaalsContact O-CB 3.22Å; S169-A172 WeakPolarHBondContact O-CB 3.41Å; S169-A172 PolarHBondContact O-N 3.35Å; L170-A172 PolarHBondContact O-N 2.91Å; L170-A172 VanDerWaalsContact O-N 3.16Å; A172-K186 HydrophobicContact CB-CB 3.86Å; A172-A187 WeakPolarHBondContact O-CB 3.17Å; A172-D190 HydrophobicContact CB-CB 4.34Å; A172-D190 VanDerWaalsContact CB-OD2 3.24Å; A172-D190 WeakPolarHBondContact CB-OD2 3.43Å
173L98.4Very high98.6Very high100 Ų10035.8 Ų35.852%0.52419%0.187SC..THydrogen-bonded Turntrans-111.1-28-172.3-53.6-178.5000112.5L170 C171L170-L173 PolarHBondContact O-N 2.69Å; C171-L173 VanDerWaalsContact C-N 3.26Å
174Q98.1Very high98.6Very high103 Ų10339.2 Ų39.248%0.48121%0.208SC..SBendtrans-124.7136.7-175.5-65.6-171.8-1600112.1L170 F176L170-Q174 HydrophobicContact CD1-CG 4.02Å; L170-Q174 HydrophobicContact CG-CB 4.43Å; L170-Q174 HydrophobicContact CG-CG 4.41Å; L170-Q174 PolarHBondContact O-N 3.05Å; Q174-F176 HydrophobicContact CB-CD1 4.49Å; Q174-F176 HydrophobicContact CB-CE1 4.07Å; Q174-F176 WeakPolarHBondContact O-CD1 3.33Å
175P98.4Very high98.6Very high122 Ų12239.1 Ų39.179%0.79221%0.207SC*.  trans-78.6132.7178.131.6-34.1000111.5
176F98.3Very high98.6Very high46 Ų4639.4 Ų39.420%0.20221%0.208CC..  trans-113.5129174.5-78.846000108.4L170 Q174 S178 W179 C183 I230 F234L170-F176 HydrophobicContact CD2-CZ 4.29Å; Q174-F176 HydrophobicContact CB-CD1 4.49Å; Q174-F176 HydrophobicContact CB-CE1 4.07Å; Q174-F176 WeakPolarHBondContact O-CD1 3.33Å; F176-S178 PolarHBondContact O-N 3.35Å; F176-W179 HydrophobicContact CB-CB 3.78Å; F176-W179 HydrophobicContact CB-CD2 4.28Å; F176-W179 HydrophobicContact CB-CG 3.94Å; F176-W179 WeakPolarHBondContact O-CB 3.41Å; F176-W179 PolarHBondContact O-N 3.38Å; F176-W179 VanDerWaalsContact O-N 3.07Å; F176-C183 PolarHBondContact N-SG 2.86Å; F176-I230 HydrophobicContact CD2-CD1 4.32Å; F176-I230 HydrophobicContact CD2-CG2 4.11Å; F176-F234 HydrophobicContact CD2-CE2 4.37Å; F176-F234 AromaticContact CD2-CZ 3.97Å; F176-F234 HydrophobicContact CD2-CZ 3.97Å; F176-F234 AromaticContact CE2-CZ 3.81Å; F176-F234 HydrophobicContact CE2-CZ 3.81Å
177R98.4Very high98.5Very high168 Ų16841.4 Ų41.463%0.63422%0.224SC*.THydrogen-bonded Turntrans-61.7139.6-179.7-69.6-177.9-179.3175.12.4110.2Y122 W179 D227 I230Y122-R177 HydrophobicContact CE1-CB 4.46Å; R177-W179 PolarHBondContact O-N 3.42Å; R177-D227 HydrophobicContact CB-CB 3.66Å; R177-D227 WeakPolarHBondContact CB-OD2 3.23Å; R177-D227 WeakPolarHBondContact CD-OD2 3.37Å; R177-D227 IonicContact NH1-OD2 3.69Å; R177-I230 HydrophobicContact CB-CG1 4.16Å
178S98.2Very high98.5Very high5 Ų542.8 Ų42.84%0.03524%0.237CC..THydrogen-bonded Turntrans64.41.2-171.488.30000116.5V119 F176 A226V119-S178 WeakPolarHBondContact O-CB 3.44Å; V119-S178 PolarHBondContact O-OG 3.26Å; F176-S178 PolarHBondContact O-N 3.35Å; S178-A226 PolarHBondContact OG-N 2.57Å
179W98.6Very high98.6Very high12 Ų1242.9 Ų42.95%0.04524%0.237CC..  trans-102.237.7180-73.240.9000112.2L116 V119 F176 R177 L181 Y182 C183 A221 T225 F234L116-W179 HydrophobicContact CD1-CD2 4.34Å; L116-W179 HydrophobicContact CD1-CE3 3.9Å; L116-W179 HydrophobicContact CD1-CH2 3.62Å; L116-W179 HydrophobicContact CD1-CZ2 4.05Å; L116-W179 HydrophobicContact CD1-CZ3 3.53Å; L116-W179 HydrophobicContact CD2-CH2 4.43Å; L116-W179 HydrophobicContact CD2-CZ2 4.25Å; V119-W179 HydrophobicContact CG1-CD2 4.07Å; V119-W179 HydrophobicContact CG1-CG 3.88Å; F176-W179 HydrophobicContact CB-CB 3.78Å; F176-W179 HydrophobicContact CB-CD2 4.28Å; F176-W179 HydrophobicContact CB-CG 3.94Å; F176-W179 WeakPolarHBondContact O-CB 3.41Å; F176-W179 PolarHBondContact O-N 3.38Å; F176-W179 VanDerWaalsContact O-N 3.07Å; R177-W179 PolarHBondContact O-N 3.42Å; W179-L181 PolarHBondContact O-N 3.41Å; W179-Y182 AromaticContact CE3-CD1 3.62Å; W179-Y182 HydrophobicContact CE3-CD1 3.62Å; W179-Y182 HydrophobicContact CE3-CE1 4.26Å; W179-Y182 HydrophobicContact CE3-CG 4.11Å; W179-Y182 AromaticContact CZ3-CD1 3.89Å; W179-Y182 HydrophobicContact CZ3-CD1 3.89Å; W179-Y182 HydrophobicContact CZ3-CE1 4.06Å; W179-Y182 HydrophobicContact CZ3-CG 4.5Å; W179-Y182 PolarHBondContact O-N 2.93Å; W179-C183 WeakPolarHBondContact O-CB 3.45Å; W179-C183 PolarHBondContact O-N 2.86Å; W179-C183 PolarHBondContact O-SG 3.41Å; W179-A221 HydrophobicContact CH2-CB 3.66Å; W179-A221 HydrophobicContact CZ2-CB 3.5Å; W179-T225 PolarHBondContact NE1-OG1 3.01Å; W179-F234 AromaticContact CE2-CE2 3.78Å; W179-F234 HydrophobicContact CH2-CD2 4.44Å; W179-F234 HydrophobicContact CH2-CE1 4.28Å; W179-F234 AromaticContact CH2-CE2 3.47Å; W179-F234 HydrophobicContact CH2-CE2 3.47Å; W179-F234 VanDerWaalsContact CH2-CE2 3.47Å; W179-F234 AromaticContact CH2-CZ 3.36Å; W179-F234 HydrophobicContact CH2-CZ 3.36Å; W179-F234 AromaticContact CZ2-CD2 3.94Å; W179-F234 HydrophobicContact CZ2-CD2 3.94Å; W179-F234 AromaticContact CZ2-CE2 3.12Å; W179-F234 HydrophobicContact CZ2-CE2 3.12Å; W179-F234 AromaticContact CZ2-CZ 3.58Å; W179-F234 HydrophobicContact CZ2-CZ 3.58Å; W179-F234 HydrophobicContact CZ3-CE2 4.38Å; W179-F234 HydrophobicContact CZ3-CZ 4.03Å
180G98.6Very high98.6Very high13 Ų1342.1 Ų42.113%0.13423%0.231CC..Hα-helixtrans-55.1-54.6-172.600000113.8T184G180-T184 VanDerWaalsContact O-CB 3.26Å; G180-T184 WeakPolarHBondContact O-CB 3.43Å; G180-T184 PolarHBondContact O-N 2.84Å; G180-T184 PolarHBondContact O-OG1 2.9Å
181L98.6Very high98.6Very high14 Ų1444.3 Ų44.37%0.07324%0.241CC..Hα-helixtrans-61.1-45.4177.2-70.6-178.6000112.1F126 V132 Y135 W179 T184 G185F126-L181 HydrophobicContact CD1-CD1 3.96Å; F126-L181 HydrophobicContact CD1-CG 4.19Å; F126-L181 HydrophobicContact CE1-CD1 3.23Å; F126-L181 HydrophobicContact CE1-CD2 4.43Å; F126-L181 HydrophobicContact CE1-CG 3.65Å; F126-L181 HydrophobicContact CE2-CG 4.32Å; F126-L181 HydrophobicContact CZ-CD1 3.67Å; F126-L181 HydrophobicContact CZ-CG 3.72Å; V132-L181 HydrophobicContact CB-CD2 4.47Å; V132-L181 HydrophobicContact CG1-CD2 4.08Å; V132-L181 HydrophobicContact CG2-CD2 4.3Å; Y135-L181 HydrophobicContact CD1-CB 3.74Å; Y135-L181 HydrophobicContact CD1-CD1 4.31Å; Y135-L181 HydrophobicContact CD1-CD2 3.92Å; Y135-L181 HydrophobicContact CD1-CG 4.21Å; Y135-L181 HydrophobicContact CD2-CB 4.01Å; Y135-L181 HydrophobicContact CD2-CD1 3.96Å; Y135-L181 HydrophobicContact CE1-CB 3.74Å; Y135-L181 WeakPolarHBondContact CE1-O 3.35Å; Y135-L181 HydrophobicContact CE2-CB 3.99Å; Y135-L181 HydrophobicContact CG-CB 3.9Å; Y135-L181 HydrophobicContact CG-CD1 3.76Å; Y135-L181 HydrophobicContact CG-CD2 4.15Å; Y135-L181 HydrophobicContact CG-CG 4.17Å; Y135-L181 PolarHBondContact OH-O 3.09Å; W179-L181 PolarHBondContact O-N 3.41Å; L181-T184 PolarHBondContact O-N 3.35Å; L181-G185 PolarHBondContact O-N 3.26Å
182Y98.8Very high98.6Very high18 Ų1845.5 Ų45.57%0.07125%0.246CC..Hα-helixtrans-61.3-53.2-178.5-165.2-102.4000113S115 L116 Y135 C171 W179 T184 G185 K186 M217S115-Y182 WeakPolarHBondContact O-CD2 3.42Å; L116-Y182 HydrophobicContact CD1-CD1 4.37Å; L116-Y182 HydrophobicContact CD1-CD2 3.75Å; L116-Y182 HydrophobicContact CD1-CE2 4Å; L116-Y182 HydrophobicContact CD1-CG 3.91Å; Y135-Y182 VanDerWaalsContact OH-CA 3.25Å; Y135-Y182 WeakPolarHBondContact OH-CA 3.37Å; C171-Y182 HydrophobicContact CB-CD1 3.54Å; C171-Y182 HydrophobicContact CB-CE1 3.63Å; W179-Y182 AromaticContact CE3-CD1 3.62Å; W179-Y182 HydrophobicContact CE3-CD1 3.62Å; W179-Y182 HydrophobicContact CE3-CE1 4.26Å; W179-Y182 HydrophobicContact CE3-CG 4.11Å; W179-Y182 AromaticContact CZ3-CD1 3.89Å; W179-Y182 HydrophobicContact CZ3-CD1 3.89Å; W179-Y182 HydrophobicContact CZ3-CE1 4.06Å; W179-Y182 HydrophobicContact CZ3-CG 4.5Å; W179-Y182 PolarHBondContact O-N 2.93Å; Y182-T184 VanDerWaalsContact C-N 3.32Å; Y182-T184 PolarHBondContact O-N 3.05Å; Y182-G185 PolarHBondContact O-N 3.39Å; Y182-K186 HydrophobicContact CD1-CG 4.22Å; Y182-K186 HydrophobicContact CE1-CG 3.9Å; Y182-K186 HydrophobicContact CE2-CG 4.36Å; Y182-K186 WeakPolarHBondContact O-CB 3.28Å; Y182-K186 WeakPolarHBondContact O-CG 3.3Å; Y182-K186 PolarHBondContact O-N 3.01Å; Y182-K186 WeakPolarHBondContact OH-CE 3.39Å; Y182-M217 HydrophobicContact CE2-SD 4.3Å
183C98.8Very high98.6Very high18 Ų1844.8 Ų44.812%0.12224%0.241CC..Hα-helixtrans-59.3-44.2177.3-68.70000111.4C171 F176 W179 K186 A187C171-C183 VanDerWaalsContact O-CA 3.28Å; C171-C183 WeakPolarHBondContact O-CA 3.35Å; C171-C183 WeakPolarHBondContact O-CB 3.49Å; F176-C183 PolarHBondContact N-SG 2.86Å; W179-C183 WeakPolarHBondContact O-CB 3.45Å; W179-C183 PolarHBondContact O-N 2.86Å; W179-C183 PolarHBondContact O-SG 3.41Å; C183-K186 PolarHBondContact O-N 3.47Å; C183-A187 VanDerWaalsContact O-CB 3.3Å; C183-A187 WeakPolarHBondContact O-CB 3.41Å; C183-A187 PolarHBondContact O-N 2.93Å
184T98.8Very high98.6Very high84 Ų8444 Ų4452%0.51523%0.233SC..Hα-helixtrans-61.1-49.1179.1-58.10000111.1G180 L181 Y182 K186 A187 A188G180-T184 VanDerWaalsContact O-CB 3.26Å; G180-T184 WeakPolarHBondContact O-CB 3.43Å; G180-T184 PolarHBondContact O-N 2.84Å; G180-T184 PolarHBondContact O-OG1 2.9Å; L181-T184 PolarHBondContact O-N 3.35Å; Y182-T184 VanDerWaalsContact C-N 3.32Å; Y182-T184 PolarHBondContact O-N 3.05Å; T184-K186 PolarHBondContact O-N 3.07Å; T184-A187 PolarHBondContact O-N 3.25Å; T184-A188 VanDerWaalsContact O-CB 3.29Å; T184-A188 WeakPolarHBondContact O-CB 3.33Å; T184-A188 PolarHBondContact O-N 3.04Å
185G98.8Very high98.7Very high0 Ų042.1 Ų42.10%023%0.229CC..Hα-helixtrans-63.7-41.5-179.800000112.7L181 Y182 R189L181-G185 PolarHBondContact O-N 3.26Å; Y182-G185 PolarHBondContact O-N 3.39Å; G185-R189 WeakPolarHBondContact O-CB 3.3Å; G185-R189 WeakPolarHBondContact O-CD 3.28Å; G185-R189 WeakPolarHBondContact O-CG 3.48Å; G185-R189 PolarHBondContact O-N 3.14Å
186K98.8Very high98.7Very high7 Ų737.6 Ų37.63%0.0320%0.198CC..Hα-helixtrans-69.6-41.6178.5-68.9-60.4-170.9-176.20112.4V167 A172 Y182 C183 T184 R189 D190V167-K186 PolarHBondContact O-NZ 3.49Å; A172-K186 HydrophobicContact CB-CB 3.86Å; Y182-K186 HydrophobicContact CD1-CG 4.22Å; Y182-K186 HydrophobicContact CE1-CG 3.9Å; Y182-K186 HydrophobicContact CE2-CG 4.36Å; Y182-K186 WeakPolarHBondContact O-CB 3.28Å; Y182-K186 WeakPolarHBondContact O-CG 3.3Å; Y182-K186 PolarHBondContact O-N 3.01Å; Y182-K186 WeakPolarHBondContact OH-CE 3.39Å; C183-K186 PolarHBondContact O-N 3.47Å; T184-K186 PolarHBondContact O-N 3.07Å; K186-R189 PolarHBondContact O-N 2.89Å; K186-D190 PolarHBondContact O-N 3.35Å
187A98.9Very high98.7Very high41 Ų4135.8 Ų35.834%0.33919%0.191SC..Hα-helixtrans-63.1-42.8174.400000112A172 C183 T184 R189 D190 M191A172-A187 WeakPolarHBondContact O-CB 3.17Å; C183-A187 VanDerWaalsContact O-CB 3.3Å; C183-A187 WeakPolarHBondContact O-CB 3.41Å; C183-A187 PolarHBondContact O-N 2.93Å; T184-A187 PolarHBondContact O-N 3.25Å; A187-R189 VanDerWaalsContact C-N 3.32Å; A187-R189 PolarHBondContact O-N 3.45Å; A187-D190 PolarHBondContact O-N 2.85Å; A187-M191 PolarHBondContact O-N 3.18Å
188A98.9Very high98.7Very high38 Ų3835.8 Ų35.831%0.31420%0.198SC..Hα-helixtrans-60.5-42.2175.700000111.8V140 T184 M191 M192V140-A188 HydrophobicContact CG1-CB 4.23Å; V140-A188 HydrophobicContact CG2-CB 4.17Å; T184-A188 VanDerWaalsContact O-CB 3.29Å; T184-A188 WeakPolarHBondContact O-CB 3.33Å; T184-A188 PolarHBondContact O-N 3.04Å; A188-M191 PolarHBondContact O-N 2.92Å; A188-M192 WeakPolarHBondContact O-CG 3.37Å; A188-M192 PolarHBondContact O-N 2.82Å
189R98.8Very high98.7Very high4 Ų442.1 Ų42.12%0.01523%0.227CC..Hα-helixtrans-64.6-44.5176.2-72.4169.366.894.75.2112.6N111 N139 N166 G185 K186 A187 M191 M192 F193N111-R189 PolarHBondContact O-NH2 3.41Å; N139-R189 VanDerWaalsContact O-CD 3.26Å; N139-R189 WeakPolarHBondContact O-CD 3.26Å; N139-R189 PolarHBondContact O-NH1 3.35Å; N166-R189 PolarHBondContact OD1-NE 2.55Å; N166-R189 PolarHBondContact OD1-NH2 2.99Å; G185-R189 WeakPolarHBondContact O-CB 3.3Å; G185-R189 WeakPolarHBondContact O-CD 3.28Å; G185-R189 WeakPolarHBondContact O-CG 3.48Å; G185-R189 PolarHBondContact O-N 3.14Å; K186-R189 PolarHBondContact O-N 2.89Å; A187-R189 VanDerWaalsContact C-N 3.32Å; A187-R189 PolarHBondContact O-N 3.45Å; R189-M191 VanDerWaalsContact C-N 3.3Å; R189-M191 PolarHBondContact O-N 3.46Å; R189-M192 HydrophobicContact CG-SD 4.36Å; R189-M192 WeakPolarHBondContact O-CG 3.16Å; R189-M192 PolarHBondContact O-N 3.46Å; R189-F193 WeakPolarHBondContact O-CD2 3.48Å; R189-F193 PolarHBondContact O-N 3.23Å; R189-F193 VanDerWaalsContact O-N 3.08Å
190D98.9Very high98.7Very high5 Ų545 Ų453%0.02724%0.241CC..Hα-helixtrans-61.9-42.4177.2-81.923000111.4N166 S168 A172 K186 A187 F193 K194 H267N166-D190 PolarHBondContact ND2-OD1 2.8Å; S168-D190 VanDerWaalsContact CB-OD1 3.25Å; S168-D190 WeakPolarHBondContact CB-OD1 3.03Å; S168-D190 VanDerWaalsContact OG-CG 3.24Å; S168-D190 PolarHBondContact OG-OD1 3.14Å; S168-D190 PolarHBondContact OG-OD2 2.73Å; A172-D190 HydrophobicContact CB-CB 4.34Å; A172-D190 VanDerWaalsContact CB-OD2 3.24Å; A172-D190 WeakPolarHBondContact CB-OD2 3.43Å; K186-D190 PolarHBondContact O-N 3.35Å; A187-D190 PolarHBondContact O-N 2.85Å; D190-F193 PolarHBondContact O-N 3.18Å; D190-K194 WeakPolarHBondContact O-CG 3.28Å; D190-K194 PolarHBondContact O-N 2.84Å; D190-H267 IonicContact OD2-CE1 3.86Å; D190-H267 IonicContact OD2-CG 3.51Å; D190-H267 IonicContact OD2-ND1 2.73Å; D190-H267 PolarHBondContact OD2-ND1 2.85Å
191M98.9Very high98.5Very high114 Ų11449.7 Ų49.756%0.56227%0.27SS*.Hα-helixtrans-65.7-45.9178.6-1745668.600112.2A187 A188 R189 F193 K194 V195A187-M191 PolarHBondContact O-N 3.18Å; A188-M191 PolarHBondContact O-N 2.92Å; R189-M191 VanDerWaalsContact C-N 3.3Å; R189-M191 PolarHBondContact O-N 3.46Å; M191-F193 VanDerWaalsContact C-N 3.27Å; M191-F193 PolarHBondContact O-N 2.85Å; M191-K194 WeakPolarHBondContact O-CB 3.48Å; M191-K194 PolarHBondContact O-N 2.82Å; M191-V195 WeakPolarHBondContact O-CG2 3.39Å; M191-V195 PolarHBondContact O-N 3Å
192M98.4Very high98.4Very high29 Ų2956.3 Ų56.314%0.14330%0.3CS..Hα-helixtrans-64.4-32.3179.870.1177.5-83.100112.1V140 M144 A188 R189 V195 L196V140-M192 HydrophobicContact CG1-SD 4.37Å; M144-M192 HydrophobicContact CB-CE 3.33Å; M144-M192 HydrophobicContact CB-SD 4.23Å; M144-M192 HydrophobicContact CE-CB 3.74Å; M144-M192 HydrophobicContact CE-CE 3.84Å; M144-M192 HydrophobicContact CE-CG 4.36Å; M144-M192 HydrophobicContact CE-SD 3.96Å; M144-M192 HydrophobicContact CG-CE 3.76Å; A188-M192 WeakPolarHBondContact O-CG 3.37Å; A188-M192 PolarHBondContact O-N 2.82Å; R189-M192 HydrophobicContact CG-SD 4.36Å; R189-M192 WeakPolarHBondContact O-CG 3.16Å; R189-M192 PolarHBondContact O-N 3.46Å; M192-V195 PolarHBondContact O-N 3.15Å; M192-L196 WeakPolarHBondContact O-CB 3.39Å; M192-L196 PolarHBondContact O-N 3.15Å
193F98.8Very high98.3Very high0 Ų055.4 Ų55.40%030%0.297CS..Hα-helixtrans-78.2-28.4177.5-80.9-118.5000111.6N111 V164 N166 R189 D190 M191 A197 V205N111-F193 HydrophobicContact CB-CZ 4.32Å; N111-F193 WeakPolarHBondContact ND2-CZ 3.02Å; V164-F193 HydrophobicContact CG1-CD1 3.73Å; V164-F193 HydrophobicContact CG1-CE1 3.18Å; V164-F193 HydrophobicContact CG1-CZ 4.13Å; N166-F193 HydrophobicContact CB-CD1 3.49Å; N166-F193 VanDerWaalsContact CB-CD1 3.49Å; N166-F193 HydrophobicContact CB-CD2 3.99Å; N166-F193 HydrophobicContact CB-CE1 3.52Å; N166-F193 HydrophobicContact CB-CE2 4.08Å; N166-F193 HydrophobicContact CB-CG 3.77Å; N166-F193 HydrophobicContact CB-CZ 3.89Å; R189-F193 WeakPolarHBondContact O-CD2 3.48Å; R189-F193 PolarHBondContact O-N 3.23Å; R189-F193 VanDerWaalsContact O-N 3.08Å; D190-F193 PolarHBondContact O-N 3.18Å; M191-F193 VanDerWaalsContact C-N 3.27Å; M191-F193 PolarHBondContact O-N 2.85Å; F193-A197 PolarHBondContact O-N 3.43Å; F193-V205 HydrophobicContact CB-CG1 3.77Å; F193-V205 HydrophobicContact CD1-CG1 3.61Å; F193-V205 HydrophobicContact CG-CG1 4.12Å; F193-V205 WeakPolarHBondContact O-CG1 3.45Å
194K98.9Very high98.3Very high83 Ų8357.2 Ų57.236%0.36130%0.301SS..Hα-helixtrans-62.2-48.2166.5-76.5170.9179.9-178.30111.4D190 M191 L196 A197 E198 G265D190-K194 WeakPolarHBondContact O-CG 3.28Å; D190-K194 PolarHBondContact O-N 2.84Å; M191-K194 WeakPolarHBondContact O-CB 3.48Å; M191-K194 PolarHBondContact O-N 2.82Å; K194-L196 VanDerWaalsContact C-N 3.34Å; K194-L196 PolarHBondContact O-N 3.37Å; K194-A197 WeakPolarHBondContact O-CB 3.47Å; K194-A197 PolarHBondContact O-N 3.47Å; K194-E198 PolarHBondContact O-N 3.41Å; K194-G265 WeakPolarHBondContact CG-O 3.15Å
195V98.9Very high98.3Very high64 Ų6453.2 Ų53.239%0.38828%0.276SS..Hα-helixtrans-58.1-47175.7172.30000110.9M191 M192 A197 E198 E199M191-V195 WeakPolarHBondContact O-CG2 3.39Å; M191-V195 PolarHBondContact O-N 3Å; M192-V195 PolarHBondContact O-N 3.15Å; V195-A197 VanDerWaalsContact C-N 3.28Å; V195-A197 PolarHBondContact O-N 3.45Å; V195-E198 PolarHBondContact O-N 3.36Å; V195-E198 VanDerWaalsContact O-N 3.12Å; V195-E199 HydrophobicContact CG1-CG 4.29Å; V195-E199 VanDerWaalsContact CG1-OE1 3.23Å; V195-E199 WeakPolarHBondContact CG1-OE1 3.39Å; V195-E199 WeakPolarHBondContact O-CG 3.02Å; V195-E199 PolarHBondContact O-N 3.25Å
196L98.8Very high98.3Very high27 Ų2753.2 Ų53.214%0.14128%0.276CS..Hα-helixtrans-57.5-39.3176.9177.462.5000112.8T147 L151 V164 M192 K194 E198 E199 E200 L203 V205T147-L196 HydrophobicContact CG2-CD2 3.66Å; L151-L196 HydrophobicContact CD1-CD1 4.09Å; L151-L196 HydrophobicContact CD1-CD2 4.39Å; V164-L196 HydrophobicContact CG1-CD2 4.3Å; M192-L196 WeakPolarHBondContact O-CB 3.39Å; M192-L196 PolarHBondContact O-N 3.15Å; K194-L196 VanDerWaalsContact C-N 3.34Å; K194-L196 PolarHBondContact O-N 3.37Å; L196-E198 VanDerWaalsContact C-N 3.33Å; L196-E199 PolarHBondContact O-N 3.47Å; L196-E200 HydrophobicContact CD1-CB 4.47Å; L196-E200 HydrophobicContact CD1-CG 4.01Å; L196-E200 WeakPolarHBondContact O-CB 3.46Å; L196-E200 PolarHBondContact O-N 3.18Å; L196-L203 HydrophobicContact CD1-CD2 3.97Å; L196-L203 HydrophobicContact CD2-CD2 3.76Å; L196-L203 HydrophobicContact CG-CD2 3.75Å; L196-V205 HydrophobicContact CD2-CG2 4.25Å; L196-V205 HydrophobicContact CG-CG2 4.18Å
197A98.8Very high98.4Very high8 Ų852.9 Ų52.97%0.06628%0.275CS..Hα-helixtrans-66.7-34.3178.700000112.9F193 K194 V195 V205F193-A197 PolarHBondContact O-N 3.43Å; K194-A197 WeakPolarHBondContact O-CB 3.47Å; K194-A197 PolarHBondContact O-N 3.47Å; V195-A197 VanDerWaalsContact C-N 3.28Å; V195-A197 PolarHBondContact O-N 3.45Å; A197-V205 HydrophobicContact CB-CB 3.98Å; A197-V205 HydrophobicContact CB-CG2 4.05Å
198E98.6Very high98.4Very high168 Ų16851 Ų5179%0.78526%0.259SS*.Hα-helixtrans-72.7-36.6174.7-64.7-66.7148.500111.9K194 V195 L196K194-E198 PolarHBondContact O-N 3.41Å; V195-E198 PolarHBondContact O-N 3.36Å; V195-E198 VanDerWaalsContact O-N 3.12Å; L196-E198 VanDerWaalsContact C-N 3.33Å
199E98.4Very high98.3Very high137 Ų13749.2 Ų49.264%0.6424%0.244SC*.Hα-helixtrans-75.2-32.7179.6-70.2176.8-178.700112.9V195 L196 P201V195-E199 HydrophobicContact CG1-CG 4.29Å; V195-E199 VanDerWaalsContact CG1-OE1 3.23Å; V195-E199 WeakPolarHBondContact CG1-OE1 3.39Å; V195-E199 WeakPolarHBondContact O-CG 3.02Å; V195-E199 PolarHBondContact O-N 3.25Å; L196-E199 PolarHBondContact O-N 3.47Å; E199-P201 WeakPolarHBondContact O-CD 3.43Å
200E97.8Very high98.3Very high72 Ų7249.7 Ų49.734%0.33625%0.248SC..  trans-122.977.9-176.1-68-83157.900111R162 L196 E202 L203R162-E200 IonicContact CZ-OE2 2.99Å; R162-E200 IonicContact NH1-OE2 2.64Å; R162-E200 IonicContact NH2-OE2 3.52Å; R162-E200 PolarHBondContact NH2-OE2 2.79Å; L196-E200 HydrophobicContact CD1-CB 4.47Å; L196-E200 HydrophobicContact CD1-CG 4.01Å; L196-E200 WeakPolarHBondContact O-CB 3.46Å; L196-E200 PolarHBondContact O-N 3.18Å; E200-E202 PolarHBondContact O-N 3.46Å; E200-E202 VanDerWaalsContact O-N 3.14Å; E200-L203 HydrophobicContact CB-CB 3.65Å; E200-L203 HydrophobicContact CB-CD2 4.15Å; E200-L203 VanDerWaalsContact O-CB 3.28Å; E200-L203 WeakPolarHBondContact O-CB 3.49Å; E200-L203 PolarHBondContact O-N 3.34Å
201P95.2Very high98.2Very high113 Ų11350.3 Ų50.373%0.73426%0.256SS*.THydrogen-bonded Turntrans-65.7-20.4-173.524.2-34.2000114.4E199E199-P201 WeakPolarHBondContact O-CD 3.43Å
202E95Very high98.2Very high152 Ų15246.4 Ų46.471%0.7124%0.239SC*.THydrogen-bonded Turntrans-83.1-13.2173.6-60.7-171.3126.300113E200E200-E202 PolarHBondContact O-N 3.46Å; E200-E202 VanDerWaalsContact O-N 3.14Å
203L98.2Very high98.1Very high0 Ų045.8 Ų45.80%024%0.236CC..SBendtrans-84.7132.6177.4-17868.8000110.2L151 R162 V164 L196 E200 V205 S264L151-L203 HydrophobicContact CD1-CD2 3.75Å; L151-L203 HydrophobicContact CD2-CD1 3.81Å; L151-L203 HydrophobicContact CD2-CD2 4.3Å; R162-L203 HydrophobicContact CB-CD1 3.43Å; R162-L203 VanDerWaalsContact CB-CD1 3.43Å; R162-L203 WeakPolarHBondContact O-CD1 3.25Å; V164-L203 HydrophobicContact CG2-CD1 4.02Å; V164-L203 HydrophobicContact CG2-CD2 4.24Å; L196-L203 HydrophobicContact CD1-CD2 3.97Å; L196-L203 HydrophobicContact CD2-CD2 3.76Å; L196-L203 HydrophobicContact CG-CD2 3.75Å; E200-L203 HydrophobicContact CB-CB 3.65Å; E200-L203 HydrophobicContact CB-CD2 4.15Å; E200-L203 VanDerWaalsContact O-CB 3.28Å; E200-L203 WeakPolarHBondContact O-CB 3.49Å; E200-L203 PolarHBondContact O-N 3.34Å; L203-V205 HydrophobicContact CB-CG2 4.33Å; L203-V205 HydrophobicContact CD2-CG2 3.59Å; L203-V205 HydrophobicContact CG-CG2 3.68Å; L203-S264 PolarHBondContact O-OG 2.6Å
204R98.6Very high98Very high56 Ų5649.8 Ų49.821%0.21126%0.258CS..EExtended strand (participates in β ladder)trans-86.3113.7171.5-57.6-62.1-68.8137.62.3109.1R162 C163 V164 D260 F262R162-R204 PolarHBondContact O-N 2.99Å; C163-R204 CarbonylContact C-O 3.57Å; C163-R204 VanDerWaalsContact CA-O 3.24Å; C163-R204 WeakPolarHBondContact CA-O 3.42Å; C163-R204 HydrophobicContact CB-CB 4.17Å; V164-R204 PolarHBondContact N-O 3.45Å; R204-D260 IonicContact CZ-OD1 3.33Å; R204-D260 IonicContact NE-OD1 2.81Å; R204-D260 PolarHBondContact NE-OD1 3.27Å; R204-D260 IonicContact NE-OD2 4Å; R204-D260 IonicContact NH2-OD1 2.91Å; R204-D260 PolarHBondContact NH2-OD1 2.86Å; R204-F262 HydrophobicContact CB-CE2 4.37Å; R204-F262 HydrophobicContact CB-CZ 4.1Å; R204-F262 PolarHBondContact NH1-O 3.48Å; R204-F262 VanDerWaalsContact NH1-O 3.11Å; R204-F262 VanDerWaalsContact NH2-CE2 3.34Å; R204-F262 PolarHBondContact NH2-O 2.8Å
205V98.9Very high97.9Very high0 Ų047.3 Ų47.30%025%0.249CC..EExtended strand (participates in β ladder)trans-118.4130.4-178.3-170.70000109.2V164 F193 L196 A197 L203 F262 S264 G265V164-V205 WeakPolarHBondContact O-CA 3.24Å; F193-V205 HydrophobicContact CB-CG1 3.77Å; F193-V205 HydrophobicContact CD1-CG1 3.61Å; F193-V205 HydrophobicContact CG-CG1 4.12Å; F193-V205 WeakPolarHBondContact O-CG1 3.45Å; L196-V205 HydrophobicContact CD2-CG2 4.25Å; L196-V205 HydrophobicContact CG-CG2 4.18Å; A197-V205 HydrophobicContact CB-CB 3.98Å; A197-V205 HydrophobicContact CB-CG2 4.05Å; L203-V205 HydrophobicContact CB-CG2 4.33Å; L203-V205 HydrophobicContact CD2-CG2 3.59Å; L203-V205 HydrophobicContact CG-CG2 3.68Å; V205-F262 WeakPolarHBondContact O-CE2 3.21Å; V205-S264 PolarHBondContact N-OG 2.73Å; V205-S264 CarbonylContact O-C 3.52Å; V205-S264 WeakPolarHBondContact O-CA 3.05Å; V205-G265 PolarHBondContact O-N 3.08Å
206L98.9Very high97.8Very high0 Ų049 Ų490%025%0.253CS..EExtended strand (participates in β ladder)trans-136131.2178170.963.5000110.5V164 I165 N166 L253 L256 F262 E266 V268V164-L206 PolarHBondContact O-N 2.99Å; I165-L206 CarbonylContact C-O 3.51Å; I165-L206 WeakPolarHBondContact CA-O 3.35Å; I165-L206 HydrophobicContact CD1-CB 3.67Å; I165-L206 HydrophobicContact CD1-CD2 4.09Å; I165-L206 HydrophobicContact CD1-CG 4.3Å; N166-L206 PolarHBondContact N-O 3.46Å; L206-L253 HydrophobicContact CD2-CD1 4.05Å; L206-L256 HydrophobicContact CD2-CB 4.45Å; L206-L256 HydrophobicContact CD2-CD1 4.01Å; L206-F262 HydrophobicContact CB-CD2 4.04Å; L206-F262 HydrophobicContact CB-CE2 3.72Å; L206-F262 HydrophobicContact CB-CZ 4.04Å; L206-F262 HydrophobicContact CD1-CD2 4.28Å; L206-F262 HydrophobicContact CD1-CG 4.4Å; L206-F262 HydrophobicContact CD2-CD1 4.33Å; L206-F262 HydrophobicContact CD2-CE1 4.35Å; L206-E266 HydrophobicContact CD1-CG 4.4Å; L206-V268 HydrophobicContact CD1-CB 4.04Å; L206-V268 HydrophobicContact CD1-CG2 3.56Å
207S98.9Very high97.7Very high0 Ų050.6 Ų50.60%026%0.26CS..EExtended strand (participates in β ladder)trans-97.9107.7164.1-65.90000108.9N166 E266 H267 V268N166-S207 WeakPolarHBondContact ND2-CB 3.48Å; N166-S207 PolarHBondContact ND2-OG 3.36Å; N166-S207 CarbonylContact O-C 3.59Å; N166-S207 WeakPolarHBondContact O-CA 3.45Å; S207-E266 PolarHBondContact N-O 2.58Å; S207-H267 CarbonylContact O-C 3.5Å; S207-H267 VanDerWaalsContact O-CA 3.29Å; S207-H267 WeakPolarHBondContact O-CA 3.43Å; S207-V268 PolarHBondContact O-N 3.49Å
208Y98.9Very high97.6Very high0 Ų050.9 Ų50.90%026%0.26CS..EExtended strand (participates in β ladder)trans-105.1118.2-175.9178.2-107.4000110.9F29 N166 V167 S168 P210 S249 L253 L256 V268 V270 V273F29-Y208 HydrophobicContact CE1-CD1 4.36Å; F29-Y208 HydrophobicContact CE1-CE1 4.39Å; F29-Y208 HydrophobicContact CE2-CE1 4.37Å; F29-Y208 HydrophobicContact CZ-CD1 4.05Å; F29-Y208 AromaticContact CZ-CE1 3.66Å; F29-Y208 HydrophobicContact CZ-CE1 3.66Å; N166-Y208 PolarHBondContact O-N 2.81Å; V167-Y208 CarbonylContact C-O 3.6Å; S168-Y208 PolarHBondContact N-O 2.87Å; Y208-P210 HydrophobicContact CD1-CB 4.22Å; Y208-P210 HydrophobicContact CE1-CB 3.77Å; Y208-P210 WeakPolarHBondContact O-CD 3.46Å; Y208-S249 PolarHBondContact OH-O 3.24Å; Y208-S249 PolarHBondContact OH-OG 3.15Å; Y208-S249 VanDerWaalsContact OH-OG 3.12Å; Y208-L253 HydrophobicContact CD1-CB 4.18Å; Y208-L253 HydrophobicContact CD1-CD1 4.15Å; Y208-L253 HydrophobicContact CD1-CD2 4.28Å; Y208-L253 HydrophobicContact CD1-CG 4.43Å; Y208-L253 HydrophobicContact CD2-CD1 4.25Å; Y208-L253 HydrophobicContact CE1-CB 3.89Å; Y208-L253 HydrophobicContact CE2-CB 4.42Å; Y208-L253 HydrophobicContact CG-CD1 3.91Å; Y208-L256 HydrophobicContact CD2-CD1 3.9Å; Y208-L256 HydrophobicContact CE2-CD1 4.05Å; Y208-V268 CarbonylContact C-O 3.49Å; Y208-V268 WeakPolarHBondContact CA-O 3.34Å; Y208-V270 HydrophobicContact CE2-CB 4.44Å; Y208-V270 WeakPolarHBondContact OH-CB 3.18Å; Y208-V270 VanDerWaalsContact OH-CG2 3.25Å; Y208-V270 WeakPolarHBondContact OH-CG2 3.43Å; Y208-V273 HydrophobicContact CE2-CG2 4.45Å
209S98.8Very high97.5Very high2 Ų244.8 Ų44.81%0.01424%0.235CC..EExtended strand (participates in β ladder)trans-89.3111.4172.11710000109.6S169 L170 G211 H267 V268 D269 V270S169-S209 WeakPolarHBondContact CA-OG 3.43Å; L170-S209 PolarHBondContact N-OG 2.86Å; S209-G211 PolarHBondContact O-N 3.32Å; S209-G211 VanDerWaalsContact O-N 3.16Å; S209-H267 WeakPolarHBondContact CB-NE2 3.47Å; S209-V268 PolarHBondContact N-O 2.88Å; S209-D269 WeakPolarHBondContact CB-OD2 3.13Å; S209-D269 PolarHBondContact OG-OD2 3.34Å; S209-V270 PolarHBondContact O-N 2.89Å
210P98.4Very high97.5Very high13 Ų1341.1 Ų41.18%0.08422%0.217CC..  trans-79.72.9-170.434.4-38.2000114F29 V167 S168 Y208 L213 S249F29-P210 HydrophobicContact CD2-CB 4.28Å; F29-P210 HydrophobicContact CE1-CB 4.29Å; F29-P210 HydrophobicContact CE2-CB 4.02Å; F29-P210 HydrophobicContact CZ-CB 4.05Å; V167-P210 HydrophobicContact CG1-CG 3.97Å; S168-P210 WeakPolarHBondContact O-CD 3.1Å; Y208-P210 HydrophobicContact CD1-CB 4.22Å; Y208-P210 HydrophobicContact CE1-CB 3.77Å; Y208-P210 WeakPolarHBondContact O-CD 3.46Å; P210-L213 HydrophobicContact CB-CD1 4.02Å; P210-L213 HydrophobicContact CB-CD2 4.38Å; P210-L213 HydrophobicContact CB-CG 4.32Å; P210-L213 HydrophobicContact CG-CD1 4.17Å; P210-L213 VanDerWaalsContact O-CD2 3.3Å; P210-L213 WeakPolarHBondContact O-CD2 3.34Å; P210-S249 VanDerWaalsContact CA-OG 3.26Å; P210-S249 WeakPolarHBondContact CA-OG 3.23Å; P210-S249 VanDerWaalsContact CB-OG 3.31Å; P210-S249 WeakPolarHBondContact CB-OG 3.49Å; P210-S249 WeakPolarHBondContact O-CB 3.29Å; P210-S249 PolarHBondContact O-OG 3.49Å
211G97.3Very high97.5Very high19 Ų1937.7 Ų37.720%0.19620%0.202CC..  trans71.9-174.7-172.400000114.1S209 L213S209-G211 PolarHBondContact O-N 3.32Å; S209-G211 VanDerWaalsContact O-N 3.16Å; G211-L213 PolarHBondContact O-N 3.16Å; G211-L213 VanDerWaalsContact O-N 3.12Å
212P96.9Very high97.5Very high32 Ų3234.2 Ų34.221%0.20817%0.174CC..SBendtrans-77.596.1-178.731.5-34.1000111M237 L243 L244P212-M237 HydrophobicContact CB-SD 4.29Å; P212-L243 HydrophobicContact CB-CD2 3.98Å; P212-L243 WeakPolarHBondContact O-CA 3.28Å; P212-L244 PolarHBondContact O-N 2.8Å
213L97.9Very high97.6Very high15 Ų1530.5 Ų30.58%0.07916%0.161CC..BIsolated β-bridgetrans-84.9139.2-177.1-55.3-179.2000112.9F29 P210 G211 T215 Q218 L244F29-L213 HydrophobicContact CB-CD1 3.61Å; F29-L213 HydrophobicContact CD2-CD1 3.61Å; F29-L213 HydrophobicContact CG-CD1 3.8Å; P210-L213 HydrophobicContact CB-CD1 4.02Å; P210-L213 HydrophobicContact CB-CD2 4.38Å; P210-L213 HydrophobicContact CB-CG 4.32Å; P210-L213 HydrophobicContact CG-CD1 4.17Å; P210-L213 VanDerWaalsContact O-CD2 3.3Å; P210-L213 WeakPolarHBondContact O-CD2 3.34Å; G211-L213 PolarHBondContact O-N 3.16Å; G211-L213 VanDerWaalsContact O-N 3.12Å; L213-T215 VanDerWaalsContact C-N 3.33Å; L213-T215 HydrophobicContact CB-CG2 3.69Å; L213-T215 HydrophobicContact CD1-CG2 4.49Å; L213-T215 PolarHBondContact O-N 3.38Å; L213-T215 PolarHBondContact O-OG1 2.98Å; L213-Q218 WeakPolarHBondContact O-CB 3.47Å; L213-L244 CarbonylContact C-O 3.57Å; L213-L244 WeakPolarHBondContact CA-O 3.23Å; L213-L244 HydrophobicContact CD2-CB 4.05Å
214D96.8Very high97.6Very high85 Ų8536 Ų3646%0.45519%0.185SC..SBendtrans-72.487170.9-164.412.2000111.3L243 L244D214-L243 HydrophobicContact CB-CB 3.91Å; D214-L243 HydrophobicContact CB-CD1 3.9Å; D214-L244 PolarHBondContact N-O 3.41Å
215T96.9Very high97.6Very high30 Ų3033.4 Ų33.418%0.18418%0.176CC..SBendtrans-139.1170.7-17462.20000111.1L213 M217 Q218 V219 C246L213-T215 VanDerWaalsContact C-N 3.33Å; L213-T215 HydrophobicContact CB-CG2 3.69Å; L213-T215 HydrophobicContact CD1-CG2 4.49Å; L213-T215 PolarHBondContact O-N 3.38Å; L213-T215 PolarHBondContact O-OG1 2.98Å; T215-M217 PolarHBondContact O-N 3.42Å; T215-M217 PolarHBondContact OG1-N 3.38Å; T215-Q218 WeakPolarHBondContact O-CB 3.34Å; T215-Q218 PolarHBondContact O-N 3.5Å; T215-Q218 PolarHBondContact OG1-N 2.67Å; T215-V219 PolarHBondContact O-N 3.16Å; T215-C246 WeakPolarHBondContact CG2-SG 3.49Å
216Q95.9Very high97.6Very high101 Ų10134.8 Ų34.847%0.47219%0.187SC..Hα-helixtrans-57.2-35.7172.1-173.360.327.100113Q218 V219 E220Q216-Q218 VanDerWaalsContact C-N 3.26Å; Q216-Q218 PolarHBondContact O-N 3.39Å; Q216-V219 WeakPolarHBondContact O-CB 3.37Å; Q216-V219 PolarHBondContact O-N 3.2Å; Q216-V219 VanDerWaalsContact O-N 3.15Å; Q216-E220 PolarHBondContact O-N 3.45Å
217M96.3Very high97.6Very high60 Ų6035.1 Ų35.130%0.29619%0.189SC..Hα-helixtrans-62.5-37.7176-175.9175.1-72.300110.9L116 Y182 T215 V219 E220 A221L116-M217 HydrophobicContact CB-CG 4.29Å; L116-M217 HydrophobicContact CD1-CG 4.44Å; Y182-M217 HydrophobicContact CE2-SD 4.3Å; T215-M217 PolarHBondContact O-N 3.42Å; T215-M217 PolarHBondContact OG1-N 3.38Å; M217-V219 VanDerWaalsContact C-N 3.34Å; M217-E220 WeakPolarHBondContact O-CB 3.3Å; M217-E220 PolarHBondContact O-N 2.91Å; M217-A221 PolarHBondContact O-N 3.35Å
218Q97.1Very high97.5Very high14 Ų1439.6 Ų39.67%0.06522%0.218CC..Hα-helixtrans-73.5-26.1176.3-176.658.7-30.300113.3L213 T215 Q216 R222 L243L213-Q218 WeakPolarHBondContact O-CB 3.47Å; T215-Q218 WeakPolarHBondContact O-CB 3.34Å; T215-Q218 PolarHBondContact O-N 3.5Å; T215-Q218 PolarHBondContact OG1-N 2.67Å; Q216-Q218 VanDerWaalsContact C-N 3.26Å; Q216-Q218 PolarHBondContact O-N 3.39Å; Q218-R222 WeakPolarHBondContact O-CG 3.43Å; Q218-R222 PolarHBondContact O-N 2.79Å; Q218-R222 VanDerWaalsContact O-N 3.14Å; Q218-R222 PolarHBondContact O-NH1 2.87Å; Q218-L243 HydrophobicContact CG-CD1 3.75Å; Q218-L243 HydrophobicContact CG-CD2 4.02Å; Q218-L243 VanDerWaalsContact NE2-CD2 3.33Å
219V97.5Very high97.5Very high40 Ų4042.6 Ų42.624%0.24224%0.239CC..Hα-helixtrans-64.1-47.1167.2-179.60000109.9T215 Q216 M217 A221 R222 T223T215-V219 PolarHBondContact O-N 3.16Å; Q216-V219 WeakPolarHBondContact O-CB 3.37Å; Q216-V219 PolarHBondContact O-N 3.2Å; Q216-V219 VanDerWaalsContact O-N 3.15Å; M217-V219 VanDerWaalsContact C-N 3.34Å; V219-A221 PolarHBondContact O-N 2.91Å; V219-R222 WeakPolarHBondContact O-CG 3.46Å; V219-R222 PolarHBondContact O-N 3.21Å; V219-T223 HydrophobicContact CG1-CG2 4.27Å; V219-T223 WeakPolarHBondContact O-CB 3.3Å; V219-T223 VanDerWaalsContact O-CG2 3.27Å; V219-T223 WeakPolarHBondContact O-CG2 3.48Å; V219-T223 PolarHBondContact O-N 2.64Å; V219-T223 PolarHBondContact O-OG1 2.99Å
220E97.6Very high97.4Very high59 Ų5943.8 Ų43.828%0.27625%0.245SC..Hα-helixtrans-61.1-45.1177.5-69.6176.5-152.100111.6L116 Q216 M217 R222 T223 K224L116-E220 HydrophobicContact CD2-CB 4.14Å; Q216-E220 PolarHBondContact O-N 3.45Å; M217-E220 WeakPolarHBondContact O-CB 3.3Å; M217-E220 PolarHBondContact O-N 2.91Å; E220-R222 PolarHBondContact O-N 3.44Å; E220-T223 PolarHBondContact O-N 3.1Å; E220-T223 PolarHBondContact O-OG1 3.02Å; E220-K224 HydrophobicContact CB-CD 4.41Å; E220-K224 HydrophobicContact CG-CD 4.43Å; E220-K224 WeakPolarHBondContact O-CB 3.38Å; E220-K224 PolarHBondContact O-N 3.12Å
221A96.8Very high97.4Very high1 Ų146.7 Ų46.71%0.00826%0.256CS..Hα-helixtrans-54.4-51.2175.500000112.5L116 W179 M217 V219 T223 T225 F234L116-A221 HydrophobicContact CD2-CB 4.16Å; W179-A221 HydrophobicContact CH2-CB 3.66Å; W179-A221 HydrophobicContact CZ2-CB 3.5Å; M217-A221 PolarHBondContact O-N 3.35Å; V219-A221 PolarHBondContact O-N 2.91Å; A221-T223 VanDerWaalsContact C-N 3.33Å; A221-T223 PolarHBondContact O-N 3.44Å; A221-T225 VanDerWaalsContact O-CB 3.23Å; A221-T225 WeakPolarHBondContact O-CB 3.39Å; A221-T225 PolarHBondContact O-OG1 3.2Å; A221-F234 HydrophobicContact CB-CD2 4.07Å; A221-F234 HydrophobicContact CB-CE2 4.32Å; A221-F234 HydrophobicContact CB-CG 4.28Å
222R96.1Very high97.5Very high40 Ų4052.2 Ų52.215%0.15128%0.275CS..Hα-helixtrans-75.4-16.1-178.574-171.5176.7-117.116.3114.5Q218 V219 E220 K231 F234Q218-R222 WeakPolarHBondContact O-CG 3.43Å; Q218-R222 PolarHBondContact O-N 2.79Å; Q218-R222 VanDerWaalsContact O-N 3.14Å; Q218-R222 PolarHBondContact O-NH1 2.87Å; V219-R222 WeakPolarHBondContact O-CG 3.46Å; V219-R222 PolarHBondContact O-N 3.21Å; E220-R222 PolarHBondContact O-N 3.44Å; R222-K231 VanDerWaalsContact O-CE 3.23Å; R222-K231 WeakPolarHBondContact O-CE 3.48Å; R222-K231 VanDerWaalsContact O-CG 3.32Å; R222-K231 WeakPolarHBondContact O-CG 3.47Å; R222-F234 HydrophobicContact CB-CB 3.83Å
223T97.5Very high97.5Very high73 Ų7353.8 Ų53.845%0.44828%0.284SS..Hα-helixtrans-106.6-32.4-176.3570000114.1V219 E220 A221 K231V219-T223 HydrophobicContact CG1-CG2 4.27Å; V219-T223 WeakPolarHBondContact O-CB 3.3Å; V219-T223 VanDerWaalsContact O-CG2 3.27Å; V219-T223 WeakPolarHBondContact O-CG2 3.48Å; V219-T223 PolarHBondContact O-N 2.64Å; V219-T223 PolarHBondContact O-OG1 2.99Å; E220-T223 PolarHBondContact O-N 3.1Å; E220-T223 PolarHBondContact O-OG1 3.02Å; A221-T223 VanDerWaalsContact C-N 3.33Å; A221-T223 PolarHBondContact O-N 3.44Å; T223-K231 WeakPolarHBondContact O-CE 3.24Å; T223-K231 PolarHBondContact O-NZ 3.46Å
224K98.1Very high97.4Very high115 Ų11553.8 Ų53.850%0.528%0.283SS..Hα-helixtrans-108.4-16.5-171.7-61-176.8-179.8175.60115V119 S120 E220 A226V119-K224 HydrophobicContact CG2-CB 3.98Å; S120-K224 VanDerWaalsContact CA-O 3.29Å; S120-K224 WeakPolarHBondContact CA-O 3.46Å; S120-K224 WeakPolarHBondContact CB-O 3Å; E220-K224 HydrophobicContact CB-CD 4.41Å; E220-K224 HydrophobicContact CG-CD 4.43Å; E220-K224 WeakPolarHBondContact O-CB 3.38Å; E220-K224 PolarHBondContact O-N 3.12Å; K224-A226 PolarHBondContact O-N 3.18Å
225T98.5Very high97.5Very high2 Ų251.9 Ų51.91%0.01228%0.277CS..  trans-54.5131178.5-67.60000111.5V119 W179 A221 D227 I230 K231V119-T225 CarbonylContact O-C 3.56Å; V119-T225 WeakPolarHBondContact O-CA 3.29Å; W179-T225 PolarHBondContact NE1-OG1 3.01Å; A221-T225 VanDerWaalsContact O-CB 3.23Å; A221-T225 WeakPolarHBondContact O-CB 3.39Å; A221-T225 PolarHBondContact O-OG1 3.2Å; T225-D227 HydrophobicContact CG2-CB 4.43Å; T225-I230 HydrophobicContact CG2-CB 3.93Å; T225-I230 HydrophobicContact CG2-CG2 3.84Å; T225-K231 HydrophobicContact CG2-CB 4.15Å; T225-K231 WeakPolarHBondContact O-CD 3.19Å
226A98.3Very high97.5Very high29 Ų2953.6 Ų53.624%0.2429%0.285CS..SBendtrans-75.7-39.3-179.300000112.7V119 S120 Y122 S178 K224 P228V119-A226 PolarHBondContact O-N 3.46Å; S120-A226 VanDerWaalsContact C-CB 3.42Å; S120-A226 WeakPolarHBondContact O-CB 3.46Å; Y122-A226 HydrophobicContact CD2-CB 4.4Å; Y122-A226 HydrophobicContact CE2-CB 3.92Å; S178-A226 PolarHBondContact OG-N 2.57Å; K224-A226 PolarHBondContact O-N 3.18Å; A226-P228 VanDerWaalsContact O-CD 3.28Å; A226-P228 WeakPolarHBondContact O-CD 3.18Å
227D98.6Very high97.5Very high7 Ų751.2 Ų51.24%0.03727%0.274CS..SBendtrans-71.5118.6179.5-174.8-78.4000110.8Y122 R177 T225 S229 I230 K231Y122-D227 HydrophobicContact CE1-CB 4.23Å; Y122-D227 WeakPolarHBondContact OH-CA 3.26Å; R177-D227 HydrophobicContact CB-CB 3.66Å; R177-D227 WeakPolarHBondContact CB-OD2 3.23Å; R177-D227 WeakPolarHBondContact CD-OD2 3.37Å; R177-D227 IonicContact NH1-OD2 3.69Å; T225-D227 HydrophobicContact CG2-CB 4.43Å; D227-S229 VanDerWaalsContact C-N 3.27Å; D227-S229 PolarHBondContact O-N 3.08Å; D227-S229 WeakPolarHBondContact OD1-CA 3.37Å; D227-S229 WeakPolarHBondContact OD1-CB 3.49Å; D227-S229 PolarHBondContact OD1-N 2.94Å; D227-S229 PolarHBondContact OD1-OG 2.94Å; D227-I230 HydrophobicContact CB-CB 4.18Å; D227-I230 HydrophobicContact CB-CG1 4.07Å; D227-I230 PolarHBondContact O-N 3.06Å; D227-I230 PolarHBondContact OD1-N 3.03Å; D227-K231 VanDerWaalsContact O-CB 3.28Å; D227-K231 WeakPolarHBondContact O-CB 3.43Å; D227-K231 PolarHBondContact O-N 3.45Å
228P98Very high97.6Very high94 Ų9453 Ų5361%0.6128%0.281SS*.Hα-helixtrans-63.6-30.8-175.6-24.135000113.7A226 K232A226-P228 VanDerWaalsContact O-CD 3.28Å; A226-P228 WeakPolarHBondContact O-CD 3.18Å; P228-K232 WeakPolarHBondContact O-CB 3.3Å; P228-K232 PolarHBondContact O-N 2.93Å
229S98Very high97.6Very high63 Ų6356.2 Ų56.244%0.44131%0.31SS..Hα-helixtrans-73.9-44.1-178.572.50000111.4D227 K232 T233D227-S229 VanDerWaalsContact C-N 3.27Å; D227-S229 PolarHBondContact O-N 3.08Å; D227-S229 WeakPolarHBondContact OD1-CA 3.37Å; D227-S229 WeakPolarHBondContact OD1-CB 3.49Å; D227-S229 PolarHBondContact OD1-N 2.94Å; D227-S229 PolarHBondContact OD1-OG 2.94Å; S229-K232 PolarHBondContact O-N 3.42Å; S229-T233 PolarHBondContact O-N 3.14Å; S229-T233 PolarHBondContact O-OG1 3.22Å
230I97.9Very high97.6Very high28 Ų2860.1 Ų60.114%0.14433%0.325CS..Hα-helixtrans-65.4-44.9174.5-59.9-59.2000109.9F176 R177 T225 D227 K232 T233 F234F176-I230 HydrophobicContact CD2-CD1 4.32Å; F176-I230 HydrophobicContact CD2-CG2 4.11Å; R177-I230 HydrophobicContact CB-CG1 4.16Å; T225-I230 HydrophobicContact CG2-CB 3.93Å; T225-I230 HydrophobicContact CG2-CG2 3.84Å; D227-I230 HydrophobicContact CB-CB 4.18Å; D227-I230 HydrophobicContact CB-CG1 4.07Å; D227-I230 PolarHBondContact O-N 3.06Å; D227-I230 PolarHBondContact OD1-N 3.03Å; I230-K232 PolarHBondContact O-N 3.14Å; I230-T233 WeakPolarHBondContact O-CB 3.35Å; I230-T233 PolarHBondContact O-N 3.16Å; I230-T233 VanDerWaalsContact O-N 3.15Å; I230-F234 HydrophobicContact CG2-CD2 3.89Å; I230-F234 HydrophobicContact CG2-CE2 3.39Å; I230-F234 HydrophobicContact CG2-CZ 4.35Å; I230-F234 VanDerWaalsContact O-CD2 3.29Å; I230-F234 WeakPolarHBondContact O-CD2 3.07Å; I230-F234 PolarHBondContact O-N 3.47Å; I230-F234 VanDerWaalsContact O-N 3.15Å
231K98.1Very high97.5Very high73 Ų7360.4 Ų60.432%0.31734%0.344SS..Hα-helixtrans-57-49.3176.3-167.8-179.5-159159.60111.9R222 T223 T225 D227 T233 F234 S235R222-K231 VanDerWaalsContact O-CE 3.23Å; R222-K231 WeakPolarHBondContact O-CE 3.48Å; R222-K231 VanDerWaalsContact O-CG 3.32Å; R222-K231 WeakPolarHBondContact O-CG 3.47Å; T223-K231 WeakPolarHBondContact O-CE 3.24Å; T223-K231 PolarHBondContact O-NZ 3.46Å; T225-K231 HydrophobicContact CG2-CB 4.15Å; T225-K231 WeakPolarHBondContact O-CD 3.19Å; D227-K231 VanDerWaalsContact O-CB 3.28Å; D227-K231 WeakPolarHBondContact O-CB 3.43Å; D227-K231 PolarHBondContact O-N 3.45Å; K231-T233 VanDerWaalsContact C-N 3.28Å; K231-T233 PolarHBondContact O-N 3.11Å; K231-F234 PolarHBondContact O-N 2.68Å; K231-S235 PolarHBondContact O-N 3.38Å; K231-S235 PolarHBondContact O-OG 3.31Å; K231-S235 VanDerWaalsContact O-OG 3.11Å
232K98Very high97.5Very high136 Ų13665.3 Ų65.359%0.59137%0.367SS*.Hα-helixtrans-60-38.1177.4-175176.9-177.7-179.60111.9P228 S229 I230 S235 N236P228-K232 WeakPolarHBondContact O-CB 3.3Å; P228-K232 PolarHBondContact O-N 2.93Å; S229-K232 PolarHBondContact O-N 3.42Å; I230-K232 PolarHBondContact O-N 3.14Å; K232-S235 PolarHBondContact O-N 3.34Å; K232-N236 WeakPolarHBondContact O-CB 3.39Å; K232-N236 PolarHBondContact O-N 2.88Å; K232-N236 PolarHBondContact O-OD1 2.65Å
233T97.4Very high97.6Very high64 Ų6464.6 Ų64.639%0.39337%0.366SS..Hα-helixtrans-58.4-50.9176.1-59.30000111S229 I230 K231 S235 N236 M237S229-T233 PolarHBondContact O-N 3.14Å; S229-T233 PolarHBondContact O-OG1 3.22Å; I230-T233 WeakPolarHBondContact O-CB 3.35Å; I230-T233 PolarHBondContact O-N 3.16Å; I230-T233 VanDerWaalsContact O-N 3.15Å; K231-T233 VanDerWaalsContact C-N 3.28Å; K231-T233 PolarHBondContact O-N 3.11Å; T233-S235 PolarHBondContact O-N 2.9Å; T233-N236 PolarHBondContact O-N 3.27Å; T233-M237 HydrophobicContact CG2-CE 3.95Å; T233-M237 WeakPolarHBondContact O-CG 3.44Å; T233-M237 PolarHBondContact O-N 3.3Å
234F96.8Very high97.6Very high15 Ų1563.1 Ų63.17%0.06636%0.355CS..Hα-helixtrans-67.3-35.9177.9-65.5-56.3000113.5F176 W179 A221 R222 I230 K231 N236 M237 F238F176-F234 HydrophobicContact CD2-CE2 4.37Å; F176-F234 AromaticContact CD2-CZ 3.97Å; F176-F234 HydrophobicContact CD2-CZ 3.97Å; F176-F234 AromaticContact CE2-CZ 3.81Å; F176-F234 HydrophobicContact CE2-CZ 3.81Å; W179-F234 AromaticContact CE2-CE2 3.78Å; W179-F234 HydrophobicContact CH2-CD2 4.44Å; W179-F234 HydrophobicContact CH2-CE1 4.28Å; W179-F234 AromaticContact CH2-CE2 3.47Å; W179-F234 HydrophobicContact CH2-CE2 3.47Å; W179-F234 VanDerWaalsContact CH2-CE2 3.47Å; W179-F234 AromaticContact CH2-CZ 3.36Å; W179-F234 HydrophobicContact CH2-CZ 3.36Å; W179-F234 AromaticContact CZ2-CD2 3.94Å; W179-F234 HydrophobicContact CZ2-CD2 3.94Å; W179-F234 AromaticContact CZ2-CE2 3.12Å; W179-F234 HydrophobicContact CZ2-CE2 3.12Å; W179-F234 AromaticContact CZ2-CZ 3.58Å; W179-F234 HydrophobicContact CZ2-CZ 3.58Å; W179-F234 HydrophobicContact CZ3-CE2 4.38Å; W179-F234 HydrophobicContact CZ3-CZ 4.03Å; A221-F234 HydrophobicContact CB-CD2 4.07Å; A221-F234 HydrophobicContact CB-CE2 4.32Å; A221-F234 HydrophobicContact CB-CG 4.28Å; R222-F234 HydrophobicContact CB-CB 3.83Å; I230-F234 HydrophobicContact CG2-CD2 3.89Å; I230-F234 HydrophobicContact CG2-CE2 3.39Å; I230-F234 HydrophobicContact CG2-CZ 4.35Å; I230-F234 VanDerWaalsContact O-CD2 3.29Å; I230-F234 WeakPolarHBondContact O-CD2 3.07Å; I230-F234 PolarHBondContact O-N 3.47Å; I230-F234 VanDerWaalsContact O-N 3.15Å; K231-F234 PolarHBondContact O-N 2.68Å; F234-N236 VanDerWaalsContact C-N 3.35Å; F234-M237 HydrophobicContact CD1-SD 4.07Å; F234-F238 PolarHBondContact O-N 2.94Å
235S97.4Very high97.6Very high46 Ų4661.2 Ų61.232%0.32235%0.353SS..Hα-helixtrans-62.4-42172.9-59.20000112K231 K232 T233 F238 A239K231-S235 PolarHBondContact O-N 3.38Å; K231-S235 PolarHBondContact O-OG 3.31Å; K231-S235 VanDerWaalsContact O-OG 3.11Å; K232-S235 PolarHBondContact O-N 3.34Å; T233-S235 PolarHBondContact O-N 2.9Å; S235-F238 PolarHBondContact O-N 3.23Å; S235-A239 WeakPolarHBondContact O-CB 3.48Å; S235-A239 PolarHBondContact O-N 3.34Å
236N97.9Very high97.6Very high66 Ų6661.6 Ų61.635%0.35336%0.356SS..Hα-helixtrans-67-43.7178.4-74-6.2000111.7K232 T233 F234 F238 A239 Q240K232-N236 WeakPolarHBondContact O-CB 3.39Å; K232-N236 PolarHBondContact O-N 2.88Å; K232-N236 PolarHBondContact O-OD1 2.65Å; T233-N236 PolarHBondContact O-N 3.27Å; F234-N236 VanDerWaalsContact C-N 3.35Å; N236-F238 VanDerWaalsContact C-N 3.26Å; N236-F238 PolarHBondContact O-N 3.11Å; N236-A239 PolarHBondContact O-N 2.91Å; N236-A239 VanDerWaalsContact O-N 3.16Å; N236-Q240 VanDerWaalsContact O-CB 3.3Å; N236-Q240 WeakPolarHBondContact O-CB 3.28Å; N236-Q240 VanDerWaalsContact O-CG 3.28Å; N236-Q240 WeakPolarHBondContact O-CG 3.41Å; N236-Q240 PolarHBondContact O-N 2.97Å
237M96.6Very high97.6Very high51 Ų5164.9 Ų64.925%0.25137%0.366SS..Hα-helixtrans-55.2-44176.4-73.8174.8173.200111.6P212 T233 F234 G241 Q242 L243P212-M237 HydrophobicContact CB-SD 4.29Å; T233-M237 HydrophobicContact CG2-CE 3.95Å; T233-M237 WeakPolarHBondContact O-CG 3.44Å; T233-M237 PolarHBondContact O-N 3.3Å; F234-M237 HydrophobicContact CD1-SD 4.07Å; M237-G241 PolarHBondContact O-N 3.44Å; M237-Q242 HydrophobicContact CB-CB 4.34Å; M237-Q242 PolarHBondContact O-N 3.14Å; M237-L243 HydrophobicContact CB-CD2 3.83Å
238F96.9Very high97.6Very high97 Ų9766.7 Ų66.743%0.42538%0.383SS..Hα-helixtrans-64.1-51.6174.8178.1-101.2000111.8F234 S235 N236 Q240 G241 L243F234-F238 PolarHBondContact O-N 2.94Å; S235-F238 PolarHBondContact O-N 3.23Å; N236-F238 VanDerWaalsContact C-N 3.26Å; N236-F238 PolarHBondContact O-N 3.11Å; F238-Q240 PolarHBondContact O-N 2.96Å; F238-G241 PolarHBondContact O-N 3.39Å; F238-G241 VanDerWaalsContact O-N 3.11Å; F238-L243 HydrophobicContact CB-CD1 4.11Å; F238-L243 HydrophobicContact CD2-CD1 3.75Å; F238-L243 HydrophobicContact CG-CD1 4.44Å
239A97.3Very high97.6Very high82 Ų8262.2 Ų62.268%0.67835%0.354SS*.Hα-helixtrans-62.5-26.8-177.300000113.6S235 N236S235-A239 WeakPolarHBondContact O-CB 3.48Å; S235-A239 PolarHBondContact O-N 3.34Å; N236-A239 PolarHBondContact O-N 2.91Å; N236-A239 VanDerWaalsContact O-N 3.16Å
240Q97.6Very high97.7Very high121 Ų12159.2 Ų59.257%0.56533%0.333SS*.THydrogen-bonded Turntrans-95.32.8-179.7-65.4175.81.100113.3N236 F238 Q242N236-Q240 VanDerWaalsContact O-CB 3.3Å; N236-Q240 WeakPolarHBondContact O-CB 3.28Å; N236-Q240 VanDerWaalsContact O-CG 3.28Å; N236-Q240 WeakPolarHBondContact O-CG 3.41Å; N236-Q240 PolarHBondContact O-N 2.97Å; F238-Q240 PolarHBondContact O-N 2.96Å; Q240-Q242 VanDerWaalsContact C-N 3.31Å; Q240-Q242 HydrophobicContact CB-CG 3.96Å; Q240-Q242 PolarHBondContact O-N 3.41Å; Q240-Q242 VanDerWaalsContact OE1-NE2 3.15Å
241G96.3Very high97.7Very high66 Ų6660.5 Ų60.568%0.6835%0.347SS*.THydrogen-bonded Turntrans67.129.1-179.900000114M237 F238M237-G241 PolarHBondContact O-N 3.44Å; F238-G241 PolarHBondContact O-N 3.39Å; F238-G241 VanDerWaalsContact O-N 3.11Å
242Q96.6Very high97.7Very high103 Ų10360.5 Ų60.548%0.48135%0.347SS..  trans-911-177.4-65.3175.2-27.100113.5M237 Q240M237-Q242 HydrophobicContact CB-CB 4.34Å; M237-Q242 PolarHBondContact O-N 3.14Å; Q240-Q242 VanDerWaalsContact C-N 3.31Å; Q240-Q242 HydrophobicContact CB-CG 3.96Å; Q240-Q242 PolarHBondContact O-N 3.41Å; Q240-Q242 VanDerWaalsContact OE1-NE2 3.15Å
243L97.6Very high97.8Very high25 Ų2554 Ų5413%0.13132%0.319CS..PPolyproline II helixtrans-79.8139.3176.4-55.5-174.2000110.5P212 D214 Q218 M237 F238P212-L243 HydrophobicContact CB-CD2 3.98Å; P212-L243 WeakPolarHBondContact O-CA 3.28Å; D214-L243 HydrophobicContact CB-CB 3.91Å; D214-L243 HydrophobicContact CB-CD1 3.9Å; Q218-L243 HydrophobicContact CG-CD1 3.75Å; Q218-L243 HydrophobicContact CG-CD2 4.02Å; Q218-L243 VanDerWaalsContact NE2-CD2 3.33Å; M237-L243 HydrophobicContact CB-CD2 3.83Å; F238-L243 HydrophobicContact CB-CD1 4.11Å; F238-L243 HydrophobicContact CD2-CD1 3.75Å; F238-L243 HydrophobicContact CG-CD1 4.44Å
244L97.8Very high97.8Very high42 Ų4251.4 Ų51.422%0.2230%0.302CS..BIsolated β-bridgetrans-80.8147.8173.3-63.2174.6000110.3P212 L213 D214 V270 F271P212-L244 PolarHBondContact O-N 2.8Å; L213-L244 CarbonylContact C-O 3.57Å; L213-L244 WeakPolarHBondContact CA-O 3.23Å; L213-L244 HydrophobicContact CD2-CB 4.05Å; D214-L244 PolarHBondContact N-O 3.41Å; L244-V270 HydrophobicContact CD1-CG1 3.68Å; L244-V270 HydrophobicContact CD1-CG2 4.04Å; L244-F271 HydrophobicContact CD1-CE1 4.05Å; L244-F271 HydrophobicContact CD1-CZ 3.99Å
245T98.4Very high97.9Very high75 Ų7554.6 Ų54.646%0.4632%0.316SS..PPolyproline II helixtrans-72.2155.816469.80000109.8E247 A248 S249T245-E247 WeakPolarHBondContact CB-OE2 3.24Å; T245-E247 PolarHBondContact O-N 3.24Å; T245-A248 PolarHBondContact O-N 3.49Å; T245-A248 VanDerWaalsContact OG1-CB 3.3Å; T245-A248 WeakPolarHBondContact OG1-CB 3.21Å; T245-A248 PolarHBondContact OG1-N 2.92Å; T245-A248 VanDerWaalsContact OG1-N 3.08Å; T245-S249 PolarHBondContact O-N 3.26Å
246C98.6Very high97.9Very high11 Ų1153.4 Ų53.47%0.07431%0.306CS..Hα-helixtrans-63.1-36.6176.5-69.70000111G28 F29 A32 T215 S249 S250G28-C246 VanDerWaalsContact C-SG 3.52Å; F29-C246 PolarHBondContact N-SG 3.15Å; A32-C246 HydrophobicContact CB-CB 3.59Å; T215-C246 WeakPolarHBondContact CG2-SG 3.49Å; C246-S249 PolarHBondContact O-N 2.99Å; C246-S250 WeakPolarHBondContact O-CB 3.27Å; C246-S250 PolarHBondContact O-N 3.01Å
247E98.3Very high97.9Very high97 Ų9750.8 Ų50.845%0.45329%0.292SS..Hα-helixtrans-64.7-43.2178.6-61.672-158.400111.3T245 S249 S250 A251T245-E247 WeakPolarHBondContact CB-OE2 3.24Å; T245-E247 PolarHBondContact O-N 3.24Å; E247-S249 PolarHBondContact O-N 2.66Å; E247-S250 PolarHBondContact O-N 3.39Å; E247-A251 WeakPolarHBondContact O-CB 3.43Å; E247-A251 PolarHBondContact O-N 3.19Å
248A98.4Very high98Very high46 Ų4651.2 Ų51.238%0.3830%0.295SS..Hα-helixtrans-63.1-43.3179.100000111.7T245T245-A248 PolarHBondContact O-N 3.49Å; T245-A248 VanDerWaalsContact OG1-CB 3.3Å; T245-A248 WeakPolarHBondContact OG1-CB 3.21Å; T245-A248 PolarHBondContact OG1-N 2.92Å; T245-A248 VanDerWaalsContact OG1-N 3.08Å
249S98.7Very high98Very high0 Ų050.8 Ų50.80%029%0.294CS..Hα-helixtrans-72.1-36.7176.1-174.80000112.3Y208 P210 T245 C246 E247 A251 K252 L253Y208-S249 PolarHBondContact OH-O 3.24Å; Y208-S249 PolarHBondContact OH-OG 3.15Å; Y208-S249 VanDerWaalsContact OH-OG 3.12Å; P210-S249 VanDerWaalsContact CA-OG 3.26Å; P210-S249 WeakPolarHBondContact CA-OG 3.23Å; P210-S249 VanDerWaalsContact CB-OG 3.31Å; P210-S249 WeakPolarHBondContact CB-OG 3.49Å; P210-S249 WeakPolarHBondContact O-CB 3.29Å; P210-S249 PolarHBondContact O-OG 3.49Å; T245-S249 PolarHBondContact O-N 3.26Å; C246-S249 PolarHBondContact O-N 2.99Å; E247-S249 PolarHBondContact O-N 2.66Å; S249-A251 PolarHBondContact O-N 3.05Å; S249-K252 WeakPolarHBondContact O-CB 3.32Å; S249-K252 PolarHBondContact O-N 3.04Å; S249-L253 PolarHBondContact O-N 3.43Å; S249-L253 VanDerWaalsContact O-N 3.16Å
250S98.7Very high97.9Very high0 Ų050.2 Ų50.20%028%0.28CS..Hα-helixtrans-64.4-41.2177.9177.20000111.3V33 D36 C246 E247 K252 L253 M254V33-S250 WeakPolarHBondContact CA-OG 3.22Å; D36-S250 WeakPolarHBondContact OD2-CB 3.35Å; D36-S250 PolarHBondContact OD2-OG 3.27Å; C246-S250 WeakPolarHBondContact O-CB 3.27Å; C246-S250 PolarHBondContact O-N 3.01Å; E247-S250 PolarHBondContact O-N 3.39Å; S250-K252 VanDerWaalsContact C-N 3.26Å; S250-K252 PolarHBondContact O-N 3.39Å; S250-L253 WeakPolarHBondContact O-CB 3.35Å; S250-L253 PolarHBondContact O-N 3.09Å; S250-L253 VanDerWaalsContact O-N 3.1Å; S250-M254 WeakPolarHBondContact O-CG 3.4Å; S250-M254 PolarHBondContact O-N 3.23Å
251A98.4Very high97.9Very high54 Ų5452.5 Ų52.545%0.44629%0.288SS..Hα-helixtrans-58.5-36.2175.200000112.9E247 S249 M254 K255E247-A251 WeakPolarHBondContact O-CB 3.43Å; E247-A251 PolarHBondContact O-N 3.19Å; S249-A251 PolarHBondContact O-N 3.05Å; A251-M254 PolarHBondContact O-N 3.15Å; A251-K255 PolarHBondContact O-N 3.14Å
252K98.6Very high98Very high74 Ų7450 Ų5032%0.32226%0.258SS..Hα-helixtrans-68.6-42.7174.8-65.7-69-169.2161.90111.7S249 S250 M254 K255 L256 V270 V273S249-K252 WeakPolarHBondContact O-CB 3.32Å; S249-K252 PolarHBondContact O-N 3.04Å; S250-K252 VanDerWaalsContact C-N 3.26Å; S250-K252 PolarHBondContact O-N 3.39Å; K252-M254 VanDerWaalsContact C-N 3.33Å; K252-M254 PolarHBondContact O-N 2.82Å; K252-K255 WeakPolarHBondContact O-CB 3.36Å; K252-K255 PolarHBondContact O-N 3.03Å; K252-L256 PolarHBondContact O-N 3.09Å; K252-L256 VanDerWaalsContact O-N 3.11Å; K252-V270 HydrophobicContact CB-CG2 4.06Å; K252-V270 HydrophobicContact CG-CG2 3.95Å; K252-V273 HydrophobicContact CB-CB 4.15Å; K252-V273 HydrophobicContact CB-CG1 3.97Å; K252-V273 HydrophobicContact CD-CB 3.99Å; K252-V273 HydrophobicContact CD-CG1 3.86Å; K252-V273 HydrophobicContact CG-CG1 4.5Å; K252-V273 PolarHBondContact NZ-OXT 3.46Å
253L98.8Very high98Very high0 Ų049.7 Ų49.70%026%0.264CS..Hα-helixtrans-59.4-44.3171.917760.4000111.5F29 V33 I165 L206 Y208 S249 S250 K255 L256 L257F29-L253 HydrophobicContact CE1-CD2 4.21Å; F29-L253 HydrophobicContact CZ-CD2 4.02Å; V33-L253 HydrophobicContact CG2-CD2 4.09Å; I165-L253 HydrophobicContact CG2-CD1 4.19Å; I165-L253 HydrophobicContact CG2-CD2 4.48Å; L206-L253 HydrophobicContact CD2-CD1 4.05Å; Y208-L253 HydrophobicContact CD1-CB 4.18Å; Y208-L253 HydrophobicContact CD1-CD1 4.15Å; Y208-L253 HydrophobicContact CD1-CD2 4.28Å; Y208-L253 HydrophobicContact CD1-CG 4.43Å; Y208-L253 HydrophobicContact CD2-CD1 4.25Å; Y208-L253 HydrophobicContact CE1-CB 3.89Å; Y208-L253 HydrophobicContact CE2-CB 4.42Å; Y208-L253 HydrophobicContact CG-CD1 3.91Å; S249-L253 PolarHBondContact O-N 3.43Å; S249-L253 VanDerWaalsContact O-N 3.16Å; S250-L253 WeakPolarHBondContact O-CB 3.35Å; S250-L253 PolarHBondContact O-N 3.09Å; S250-L253 VanDerWaalsContact O-N 3.1Å; L253-K255 VanDerWaalsContact C-N 3.32Å; L253-K255 PolarHBondContact O-N 3.4Å; L253-L256 WeakPolarHBondContact O-CB 3.43Å; L253-L256 PolarHBondContact O-N 2.92Å; L253-L257 HydrophobicContact CD1-CG 4.41Å; L253-L257 HydrophobicContact CG-CD1 4.39Å; L253-L257 WeakPolarHBondContact O-CG 3.49Å; L253-L257 PolarHBondContact O-N 3.24Å
254M98.6Very high98.1Very high8 Ų850 Ų504%0.03927%0.268CS..Hα-helixtrans-61.5-40.2177.7-67.2-52101.400112.1V33 D36 L37 L40 S250 A251 K252 L256 L257 L258V33-M254 HydrophobicContact CG1-CE 4.21Å; D36-M254 HydrophobicContact CB-CG 3.7Å; D36-M254 HydrophobicContact CB-SD 4.16Å; L37-M254 HydrophobicContact CD2-CE 4.06Å; L37-M254 HydrophobicContact CD2-SD 3.65Å; L37-M254 HydrophobicContact CG-CE 4.03Å; L37-M254 HydrophobicContact CG-SD 3.86Å; L40-M254 HydrophobicContact CD1-CB 3.67Å; L40-M254 HydrophobicContact CD1-CG 3.7Å; L40-M254 HydrophobicContact CD1-SD 3.75Å; S250-M254 WeakPolarHBondContact O-CG 3.4Å; S250-M254 PolarHBondContact O-N 3.23Å; A251-M254 PolarHBondContact O-N 3.15Å; K252-M254 VanDerWaalsContact C-N 3.33Å; K252-M254 PolarHBondContact O-N 2.82Å; M254-L256 PolarHBondContact O-N 2.83Å; M254-L257 HydrophobicContact CE-CD1 3.74Å; M254-L257 PolarHBondContact O-N 3.48Å; M254-L257 HydrophobicContact SD-CD1 4.28Å; M254-L258 WeakPolarHBondContact O-CB 3.47Å; M254-L258 WeakPolarHBondContact O-CG 3.43Å; M254-L258 PolarHBondContact O-N 3.14Å
255K98.2Very high98.1Very high83 Ų8348.3 Ų48.336%0.36126%0.26SS..Hα-helixtrans-57.5-47.5173.7-179.6-175.3166.2-162.80111.3A251 K252 L253 L257 L258 E259 V273A251-K255 PolarHBondContact O-N 3.14Å; K252-K255 WeakPolarHBondContact O-CB 3.36Å; K252-K255 PolarHBondContact O-N 3.03Å; L253-K255 VanDerWaalsContact C-N 3.32Å; L253-K255 PolarHBondContact O-N 3.4Å; K255-L257 VanDerWaalsContact C-N 3.31Å; K255-L257 PolarHBondContact O-N 3.28Å; K255-L258 PolarHBondContact O-N 3.47Å; K255-E259 WeakPolarHBondContact CE-OE1 3.39Å; K255-E259 HydrophobicContact CG-CG 4.37Å; K255-E259 WeakPolarHBondContact CG-OE1 3.48Å; K255-E259 WeakPolarHBondContact O-CB 3.31Å; K255-E259 WeakPolarHBondContact O-CG 3.19Å; K255-E259 PolarHBondContact O-N 2.91Å; K255-V273 HydrophobicContact CD-CG1 4.11Å; K255-V273 PolarHBondContact NZ-O 3.38Å
256L98.4Very high98.1Very high20 Ų2047.9 Ų47.911%0.10525%0.253CS..Hα-helixtrans-59.4-41.5176.5-69.3174.9000112.3L206 Y208 K252 L253 M254 D260 V268 V273L206-L256 HydrophobicContact CD2-CB 4.45Å; L206-L256 HydrophobicContact CD2-CD1 4.01Å; Y208-L256 HydrophobicContact CD2-CD1 3.9Å; Y208-L256 HydrophobicContact CE2-CD1 4.05Å; K252-L256 PolarHBondContact O-N 3.09Å; K252-L256 VanDerWaalsContact O-N 3.11Å; L253-L256 WeakPolarHBondContact O-CB 3.43Å; L253-L256 PolarHBondContact O-N 2.92Å; M254-L256 PolarHBondContact O-N 2.83Å; L256-D260 PolarHBondContact O-N 3.49Å; L256-V268 HydrophobicContact CD1-CB 4.31Å; L256-V268 HydrophobicContact CD1-CG1 3.93Å; L256-V273 HydrophobicContact CD1-CG1 4.49Å; L256-V273 HydrophobicContact CD1-CG2 3.71Å; L256-V273 HydrophobicContact CD2-CG1 4.01Å; L256-V273 HydrophobicContact CD2-CG2 4.04Å; L256-V273 HydrophobicContact CG-CG1 3.88Å; L256-V273 HydrophobicContact CG-CG2 3.96Å
257L98Very high98.1Very high12 Ų1249 Ų496%0.06326%0.258CS..Hα-helixtrans-68-36.5178.8-68.8179000113.2L15 L37 I165 L253 M254 K255L15-L257 HydrophobicContact CD2-CB 4.05Å; L37-L257 HydrophobicContact CD2-CD1 4.37Å; I165-L257 HydrophobicContact CD1-CD2 3.81Å; I165-L257 HydrophobicContact CG1-CD2 4.33Å; L253-L257 HydrophobicContact CD1-CG 4.41Å; L253-L257 HydrophobicContact CG-CD1 4.39Å; L253-L257 WeakPolarHBondContact O-CG 3.49Å; L253-L257 PolarHBondContact O-N 3.24Å; M254-L257 HydrophobicContact CE-CD1 3.74Å; M254-L257 PolarHBondContact O-N 3.48Å; M254-L257 HydrophobicContact SD-CD1 4.28Å; K255-L257 VanDerWaalsContact C-N 3.31Å; K255-L257 PolarHBondContact O-N 3.28Å
258L97.6Very high98.1Very high59 Ų5945 Ų4531%0.30924%0.24SC..Hα-helixtrans-74.4-39.1177.8-73.2172.8000112A13 L15 L40 M254 K255A13-L258 HydrophobicContact CB-CD1 4.5Å; A13-L258 HydrophobicContact CB-CD2 4.19Å; L15-L258 HydrophobicContact CD2-CD2 3.91Å; L15-L258 HydrophobicContact CD2-CG 4.45Å; L15-L258 HydrophobicContact CG-CD2 4.07Å; L40-L258 HydrophobicContact CD1-CD1 4.14Å; L40-L258 HydrophobicContact CD1-CG 4.44Å; L40-L258 HydrophobicContact CD2-CD1 4.29Å; M254-L258 WeakPolarHBondContact O-CB 3.47Å; M254-L258 WeakPolarHBondContact O-CG 3.43Å; M254-L258 PolarHBondContact O-N 3.14Å; K255-L258 PolarHBondContact O-N 3.47Å
259E96.8Very high98.1Very high89 Ų8943.9 Ų43.942%0.41623%0.227SC..Hα-helixtrans-74.3-34.3178.7-71179.8-178.900112.1K255 K261K255-E259 WeakPolarHBondContact CE-OE1 3.39Å; K255-E259 HydrophobicContact CG-CG 4.37Å; K255-E259 WeakPolarHBondContact CG-OE1 3.48Å; K255-E259 WeakPolarHBondContact O-CB 3.31Å; K255-E259 WeakPolarHBondContact O-CG 3.19Å; K255-E259 PolarHBondContact O-N 2.91Å; E259-K261 HydrophobicContact CB-CD 4.45Å; E259-K261 WeakPolarHBondContact O-CG 3.37Å; E259-K261 PolarHBondContact O-N 2.95Å
260D96.1Very high98.1Very high70 Ų7044.2 Ų44.237%0.37423%0.229SC..  trans50.638.4179.7-163.218.8000114R204 L256R204-D260 IonicContact CZ-OD1 3.33Å; R204-D260 IonicContact NE-OD1 2.81Å; R204-D260 PolarHBondContact NE-OD1 3.27Å; R204-D260 IonicContact NE-OD2 4Å; R204-D260 IonicContact NH2-OD1 2.91Å; R204-D260 PolarHBondContact NH2-OD1 2.86Å; L256-D260 PolarHBondContact O-N 3.49Å
261K96.9Very high98.1Very high169 Ų16950.5 Ų50.574%0.73526%0.257SS*.  trans-103.9-4.8-177.9-73.4171.1-170.1174.10114.8E259E259-K261 HydrophobicContact CB-CD 4.45Å; E259-K261 WeakPolarHBondContact O-CG 3.37Å; E259-K261 PolarHBondContact O-N 2.95Å
262F97.8Very high98Very high12 Ų1254 Ų545%0.05327%0.268CS..SBendtrans-66.5147-178.962.6-97.6000111.3R204 V205 L206 S264 E266R204-F262 HydrophobicContact CB-CE2 4.37Å; R204-F262 HydrophobicContact CB-CZ 4.1Å; R204-F262 PolarHBondContact NH1-O 3.48Å; R204-F262 VanDerWaalsContact NH1-O 3.11Å; R204-F262 VanDerWaalsContact NH2-CE2 3.34Å; R204-F262 PolarHBondContact NH2-O 2.8Å; V205-F262 WeakPolarHBondContact O-CE2 3.21Å; L206-F262 HydrophobicContact CB-CD2 4.04Å; L206-F262 HydrophobicContact CB-CE2 3.72Å; L206-F262 HydrophobicContact CB-CZ 4.04Å; L206-F262 HydrophobicContact CD1-CD2 4.28Å; L206-F262 HydrophobicContact CD1-CG 4.4Å; L206-F262 HydrophobicContact CD2-CD1 4.33Å; L206-F262 HydrophobicContact CD2-CE1 4.35Å; F262-S264 PolarHBondContact O-N 3.28Å; F262-E266 VanDerWaalsContact C-OE1 3.28Å; F262-E266 WeakPolarHBondContact CA-OE1 3.47Å; F262-E266 WeakPolarHBondContact CB-OE1 3.29Å
263T98.3Very high97.7Very high97 Ų9752.1 Ų52.160%0.59526%0.262SS*.PPolyproline II helixtrans-69.8127.9171-55.80000109.1G265 E266T263-G265 PolarHBondContact O-N 3.34Å; T263-E266 PolarHBondContact N-OE1 2.87Å; T263-E266 WeakPolarHBondContact O-CB 3.23Å; T263-E266 WeakPolarHBondContact O-CG 3.46Å; T263-E266 PolarHBondContact O-N 3.44Å; T263-E266 VanDerWaalsContact O-N 3.11Å
264S98.6Very high97.6Very high33 Ų3354.7 Ų54.723%0.23128%0.276CS..THydrogen-bonded Turntrans-60.7134.2180-152.40000110.2L203 V205 F262 E266L203-S264 PolarHBondContact O-OG 2.6Å; V205-S264 PolarHBondContact N-OG 2.73Å; V205-S264 CarbonylContact O-C 3.52Å; V205-S264 WeakPolarHBondContact O-CA 3.05Å; F262-S264 PolarHBondContact O-N 3.28Å; S264-E266 VanDerWaalsContact C-N 3.32Å
265G98.4Very high97.6Very high5 Ų557.2 Ų57.25%0.05229%0.288CS..THydrogen-bonded Turntrans84.4-3.1-177.400000114.8K194 V205 T263K194-G265 WeakPolarHBondContact CG-O 3.15Å; V205-G265 PolarHBondContact O-N 3.08Å; T263-G265 PolarHBondContact O-N 3.34Å
266E98.1Very high97.5Very high66 Ų6655.7 Ų55.731%0.30828%0.284SS..  trans-74158.4-178.287.1-178.9137.400113.4L206 S207 F262 T263 S264 V268L206-E266 HydrophobicContact CD1-CG 4.4Å; S207-E266 PolarHBondContact N-O 2.58Å; F262-E266 VanDerWaalsContact C-OE1 3.28Å; F262-E266 WeakPolarHBondContact CA-OE1 3.47Å; F262-E266 WeakPolarHBondContact CB-OE1 3.29Å; T263-E266 PolarHBondContact N-OE1 2.87Å; T263-E266 WeakPolarHBondContact O-CB 3.23Å; T263-E266 WeakPolarHBondContact O-CG 3.46Å; T263-E266 PolarHBondContact O-N 3.44Å; T263-E266 VanDerWaalsContact O-N 3.11Å; S264-E266 VanDerWaalsContact C-N 3.32Å; E266-V268 HydrophobicContact CG-CG2 3.52Å
267H98.8Very high97.5Very high36 Ų3657.8 Ų57.817%0.16729%0.294CS..EExtended strand (participates in β ladder)trans-98.7117.3169.4-179109.6000108.5S168 S169 D190 S207 S209S168-H267 PolarHBondContact OG-CE1 3.2Å; S169-H267 PolarHBondContact O-CE1 3.09Å; D190-H267 IonicContact OD2-CE1 3.86Å; D190-H267 IonicContact OD2-CG 3.51Å; D190-H267 IonicContact OD2-ND1 2.73Å; D190-H267 PolarHBondContact OD2-ND1 2.85Å; S207-H267 CarbonylContact O-C 3.5Å; S207-H267 VanDerWaalsContact O-CA 3.29Å; S207-H267 WeakPolarHBondContact O-CA 3.43Å; S209-H267 WeakPolarHBondContact CB-NE2 3.47Å
268V98.8Very high97.5Very high13 Ų1360.7 Ų60.78%0.07931%0.309CS..EExtended strand (participates in β ladder)trans-114.9125.1176.2-173.80000109.1L206 S207 Y208 S209 L256 E266 D272 V273L206-V268 HydrophobicContact CD1-CB 4.04Å; L206-V268 HydrophobicContact CD1-CG2 3.56Å; S207-V268 PolarHBondContact O-N 3.49Å; Y208-V268 CarbonylContact C-O 3.49Å; Y208-V268 WeakPolarHBondContact CA-O 3.34Å; S209-V268 PolarHBondContact N-O 2.88Å; L256-V268 HydrophobicContact CD1-CB 4.31Å; L256-V268 HydrophobicContact CD1-CG1 3.93Å; E266-V268 HydrophobicContact CG-CG2 3.52Å; V268-D272 HydrophobicContact CG1-CB 4.4Å; V268-V273 HydrophobicContact CG1-CG2 3.68Å
269D98.7Very high97.5Very high21 Ų2160.8 Ų60.811%0.11231%0.309CS..EExtended strand (participates in β ladder)trans-88.5147.2171.1-166.3-84000110.9S209 F271 D272S209-D269 WeakPolarHBondContact CB-OD2 3.13Å; S209-D269 PolarHBondContact OG-OD2 3.34Å; D269-F271 PolarHBondContact O-N 3.19Å; D269-F271 WeakPolarHBondContact OD1-CD2 3.37Å; D269-F271 PolarHBondContact OD1-N 2.76Å; D269-F271 VanDerWaalsContact OD1-N 3.08Å; D269-D272 PolarHBondContact N-OD2 3.41Å; D269-D272 WeakPolarHBondContact O-CB 3.41Å; D269-D272 PolarHBondContact O-N 2.81Å
270V98.4Very high97.5Very high8 Ų858.8 Ų58.85%0.04830%0.301CS..G310 helixtrans-51.8-3017864.70000113Y208 S209 L244 K252 D272Y208-V270 HydrophobicContact CE2-CB 4.44Å; Y208-V270 WeakPolarHBondContact OH-CB 3.18Å; Y208-V270 VanDerWaalsContact OH-CG2 3.25Å; Y208-V270 WeakPolarHBondContact OH-CG2 3.43Å; S209-V270 PolarHBondContact O-N 2.89Å; L244-V270 HydrophobicContact CD1-CG1 3.68Å; L244-V270 HydrophobicContact CD1-CG2 4.04Å; K252-V270 HydrophobicContact CB-CG2 4.06Å; K252-V270 HydrophobicContact CG-CG2 3.95Å; V270-D272 VanDerWaalsContact C-N 3.26Å; V270-D272 PolarHBondContact O-N 3.4Å
271F97.5Very high97.6Very high131 Ų13157.9 Ų57.958%0.57530%0.296SS*.G310 helixtrans-77-9.6179.3-60-61.3000114L244 D269L244-F271 HydrophobicContact CD1-CE1 4.05Å; L244-F271 HydrophobicContact CD1-CZ 3.99Å; D269-F271 PolarHBondContact O-N 3.19Å; D269-F271 WeakPolarHBondContact OD1-CD2 3.37Å; D269-F271 PolarHBondContact OD1-N 2.76Å; D269-F271 VanDerWaalsContact OD1-N 3.08Å
272D97Very high97.7Very high129 Ų12948.7 Ų48.769%0.6926%0.259SS*.G310 helixtrans-95.1-1.4177.8-57.6-41.2000113.2V268 D269 V270V268-D272 HydrophobicContact CG1-CB 4.4Å; D269-D272 PolarHBondContact N-OD2 3.41Å; D269-D272 WeakPolarHBondContact O-CB 3.41Å; D269-D272 PolarHBondContact O-N 2.81Å; V270-D272 VanDerWaalsContact C-N 3.26Å; V270-D272 PolarHBondContact O-N 3.4Å
273V91.7Very high97.7Very high33 Ų3352 Ų5220%0.228%0.278CS..  trans-104.40-173-173.40000113.1Y208 K252 K255 L256 V268Y208-V273 HydrophobicContact CE2-CG2 4.45Å; K252-V273 HydrophobicContact CB-CB 4.15Å; K252-V273 HydrophobicContact CB-CG1 3.97Å; K252-V273 HydrophobicContact CD-CB 3.99Å; K252-V273 HydrophobicContact CD-CG1 3.86Å; K252-V273 HydrophobicContact CG-CG1 4.5Å; K252-V273 PolarHBondContact NZ-OXT 3.46Å; K255-V273 HydrophobicContact CD-CG1 4.11Å; K255-V273 PolarHBondContact NZ-O 3.38Å; L256-V273 HydrophobicContact CD1-CG1 4.49Å; L256-V273 HydrophobicContact CD1-CG2 3.71Å; L256-V273 HydrophobicContact CD2-CG1 4.01Å; L256-V273 HydrophobicContact CD2-CG2 4.04Å; L256-V273 HydrophobicContact CG-CG1 3.88Å; L256-V273 HydrophobicContact CG-CG2 3.96Å; V268-V273 HydrophobicContact CG1-CG2 3.68Å

Retrieved 273 of 273 residues in 95 ms (Link to these results)

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