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Histidine--tRNA ligase, cytoplasmic

Catalyzes the ATP-dependent ligation of histidine to the 3'-end of its cognate tRNA, via the formation of an aminoacyl-adenylate intermediate (His-AMP). Plays a role in axon guidance.

AlphaFold DB , UniProt , Accession A0A096ND58, Species PAPAN (Papio anubis, Olive baboon), Gene HARS1, Length 509 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
1M54.5Low77.1Confident213 Ų21388.5 Ų88.5100%1.04949%0.485SS*.  0-50.20-70.1-124.7-76.900112.2E3 R4 A5M1-E3 PolarHBondContact O-N 2.8Å; M1-R4 PolarHBondContact O-N 2.9Å; M1-A5 PolarHBondContact O-N 2.68Å
2A56.8Low78Confident86 Ų8689.5 Ų89.571%0.71148%0.481SS*.Hα-helixtrans-61.6-41.2177.600000114.4A6A2-A6 PolarHBondContact O-N 3.18Å; A2-A6 VanDerWaalsContact O-N 3.17Å
3E70.3Confident79Confident172 Ų17289.6 Ų89.680%0.80448%0.481SS*.Hα-helixtrans-66.7-36.6177.7-75.1177.8148.400113.5M1 A6 L7M1-E3 PolarHBondContact O-N 2.8Å; E3-A6 PolarHBondContact O-N 2.81Å; E3-L7 WeakPolarHBondContact O-CB 3.42Å; E3-L7 PolarHBondContact O-N 3.33Å
4R77.1Confident79.9Confident80 Ų8084.9 Ų84.930%0.30245%0.454SS..Hα-helixtrans-69.1-43.9178.6-175.5178.9175141.20.4111.7M1 A6 L7 E8 L45 P47 D48M1-R4 PolarHBondContact O-N 2.9Å; R4-A6 VanDerWaalsContact C-N 3.3Å; R4-A6 PolarHBondContact O-N 3.48Å; R4-L7 CarbonylContact O-C 3.46Å; R4-L7 WeakPolarHBondContact O-CB 3.44Å; R4-L7 PolarHBondContact O-N 2.95Å; R4-L7 VanDerWaalsContact O-N 3.11Å; R4-E8 IonicContact NE-OE1 3.04Å; R4-E8 PolarHBondContact NE-OE1 3.39Å; R4-E8 WeakPolarHBondContact O-CG 3.48Å; R4-E8 PolarHBondContact O-N 3.03Å; R4-L45 HydrophobicContact CG-CD1 3.86Å; R4-P47 PolarHBondContact NH2-O 2.85Å; R4-D48 VanDerWaalsContact NH2-CA 3.32Å; R4-D48 IonicContact NH2-OD1 3.21Å; R4-D48 PolarHBondContact NH2-OD1 3.4Å
5A77.7Confident80.4Confident53 Ų5380.1 Ų80.144%0.43843%0.433SS..Hα-helixtrans-62-38.5176.400000112M1 L7 E8 E9M1-A5 PolarHBondContact O-N 2.68Å; A5-L7 VanDerWaalsContact C-N 3.35Å; A5-E8 PolarHBondContact O-N 3.43Å; A5-E9 PolarHBondContact O-N 3.47Å; A5-E9 VanDerWaalsContact O-N 3.1Å
6A82.9Confident81.1Confident57 Ų5780.8 Ų80.847%0.47143%0.432SS..Hα-helixtrans-63.6-41.1172.700000111.8A2 E3 R4 E9 L10A2-A6 PolarHBondContact O-N 3.18Å; A2-A6 VanDerWaalsContact O-N 3.17Å; E3-A6 PolarHBondContact O-N 2.81Å; R4-A6 VanDerWaalsContact C-N 3.3Å; R4-A6 PolarHBondContact O-N 3.48Å; A6-E9 PolarHBondContact O-N 3.4Å; A6-L10 WeakPolarHBondContact O-CG 3.45Å; A6-L10 PolarHBondContact O-N 3.33Å; A6-L10 VanDerWaalsContact O-N 3.08Å
7L83.1Confident81.6Confident37 Ų3784.6 Ų84.619%0.19444%0.439CS..Hα-helixtrans-68.2-35.7177.1-145.586.3000112.6E3 R4 A5 L10 V11 Q44 L45E3-L7 WeakPolarHBondContact O-CB 3.42Å; E3-L7 PolarHBondContact O-N 3.33Å; R4-L7 CarbonylContact O-C 3.46Å; R4-L7 WeakPolarHBondContact O-CB 3.44Å; R4-L7 PolarHBondContact O-N 2.95Å; R4-L7 VanDerWaalsContact O-N 3.11Å; A5-L7 VanDerWaalsContact C-N 3.35Å; L7-L10 PolarHBondContact O-N 2.95Å; L7-V11 WeakPolarHBondContact O-CG2 3.39Å; L7-V11 PolarHBondContact O-N 2.96Å; L7-Q44 HydrophobicContact CD2-CB 3.83Å; L7-L45 HydrophobicContact CB-CD1 3.91Å; L7-L45 HydrophobicContact CD2-CB 3.9Å; L7-L45 HydrophobicContact CD2-CD1 3.85Å; L7-L45 HydrophobicContact CG-CD1 4.38Å
8E83.7Confident82Confident78 Ų7880.4 Ų80.436%0.36442%0.418SS..Hα-helixtrans-63-43.4174.1-75170.5-175.700111.8R4 A5 L10 V11 K12 L45R4-E8 IonicContact NE-OE1 3.04Å; R4-E8 PolarHBondContact NE-OE1 3.39Å; R4-E8 WeakPolarHBondContact O-CG 3.48Å; R4-E8 PolarHBondContact O-N 3.03Å; A5-E8 PolarHBondContact O-N 3.43Å; E8-L10 VanDerWaalsContact C-N 3.35Å; E8-V11 PolarHBondContact O-N 3.14Å; E8-K12 WeakPolarHBondContact O-CB 3.45Å; E8-K12 PolarHBondContact O-N 2.93Å; E8-L45 HydrophobicContact CG-CD1 3.6Å; E8-L45 HydrophobicContact CG-CD2 3.89Å; E8-L45 HydrophobicContact CG-CG 4.37Å
9E86.8Confident82.4Confident89 Ų8984 Ų8442%0.41643%0.425SS..Hα-helixtrans-67.2-37.2176.6-164.262.8-161.100111.3A5 A6 K12 L13A5-E9 PolarHBondContact O-N 3.47Å; A5-E9 VanDerWaalsContact O-N 3.1Å; A6-E9 PolarHBondContact O-N 3.4Å; E9-K12 WeakPolarHBondContact O-CB 3.39Å; E9-K12 PolarHBondContact O-N 2.98Å; E9-K12 IonicContact OE1-NZ 3.4Å; E9-K12 PolarHBondContact OE1-NZ 2.98Å; E9-K12 IonicContact OE2-NZ 3.6Å; E9-K12 PolarHBondContact OE2-NZ 3.31Å; E9-L13 HydrophobicContact CG-CD1 4.25Å; E9-L13 WeakPolarHBondContact O-CB 3.41Å; E9-L13 WeakPolarHBondContact O-CG 2.97Å; E9-L13 PolarHBondContact O-N 3.29Å
10L87.8Confident82.8Confident89 Ų8980.8 Ų80.847%0.46641%0.414SS..Hα-helixtrans-63.7-42.4173.2-72.6170.8000112.3A6 L7 E8 K12 Q14A6-L10 WeakPolarHBondContact O-CG 3.45Å; A6-L10 PolarHBondContact O-N 3.33Å; A6-L10 VanDerWaalsContact O-N 3.08Å; L7-L10 PolarHBondContact O-N 2.95Å; E8-L10 VanDerWaalsContact C-N 3.35Å; L10-K12 VanDerWaalsContact C-N 3.3Å; L10-K12 PolarHBondContact O-N 2.79Å; L10-Q14 VanDerWaalsContact O-CB 3.23Å; L10-Q14 WeakPolarHBondContact O-CB 3.42Å; L10-Q14 PolarHBondContact O-N 3.03Å
11V87.1Confident83.1Confident20 Ų2078.2 Ų78.212%0.12140%0.401CS..Hα-helixtrans-61.5-40.9174.5168.50000110.8L7 E8 G15 L38 L41 K42 L45L7-V11 WeakPolarHBondContact O-CG2 3.39Å; L7-V11 PolarHBondContact O-N 2.96Å; E8-V11 PolarHBondContact O-N 3.14Å; V11-G15 PolarHBondContact O-N 3.25Å; V11-L38 HydrophobicContact CG1-CD1 4.04Å; V11-L38 WeakPolarHBondContact O-CD1 3.33Å; V11-L41 HydrophobicContact CG2-CB 3.71Å; V11-K42 HydrophobicContact CG1-CG 3.92Å; V11-K42 HydrophobicContact CG2-CG 4.39Å; V11-L45 HydrophobicContact CG2-CD2 4.49Å
12K88.9Confident84.6Confident100 Ų10074 Ų7444%0.43538%0.377SS..Hα-helixtrans-66.1-50.5179-179.5-175.9158.9-145.90111.8E8 E9 L10 Q14 G15 E16E8-K12 WeakPolarHBondContact O-CB 3.45Å; E8-K12 PolarHBondContact O-N 2.93Å; E9-K12 WeakPolarHBondContact O-CB 3.39Å; E9-K12 PolarHBondContact O-N 2.98Å; E9-K12 IonicContact OE1-NZ 3.4Å; E9-K12 PolarHBondContact OE1-NZ 2.98Å; E9-K12 IonicContact OE2-NZ 3.6Å; E9-K12 PolarHBondContact OE2-NZ 3.31Å; L10-K12 VanDerWaalsContact C-N 3.3Å; L10-K12 PolarHBondContact O-N 2.79Å; K12-Q14 VanDerWaalsContact C-N 3.33Å; K12-Q14 PolarHBondContact O-N 3.36Å; K12-G15 PolarHBondContact O-N 2.94Å; K12-G15 VanDerWaalsContact O-N 3.15Å; K12-E16 WeakPolarHBondContact O-CG 3.2Å; K12-E16 PolarHBondContact O-N 2.94Å
13L90.3Very high86.2Confident91 Ų9177.7 Ų77.748%0.47638%0.38SS..Hα-helixtrans-58.7-44.2176.7-75166.5000111.6E9 G15 E16 R17E9-L13 HydrophobicContact CG-CD1 4.25Å; E9-L13 WeakPolarHBondContact O-CB 3.41Å; E9-L13 WeakPolarHBondContact O-CG 2.97Å; E9-L13 PolarHBondContact O-N 3.29Å; L13-G15 VanDerWaalsContact C-N 3.33Å; L13-G15 PolarHBondContact O-N 3.31Å; L13-E16 PolarHBondContact O-N 2.88Å; L13-R17 PolarHBondContact O-N 2.79Å
14Q91.3Very high87.1Confident24 Ų2476.7 Ų76.711%0.11238%0.375CS..Hα-helixtrans-65.7-37177.4-170.763.121.200111.8L10 K12 R17 V18 E34 L38 L41L10-Q14 VanDerWaalsContact O-CB 3.23Å; L10-Q14 WeakPolarHBondContact O-CB 3.42Å; L10-Q14 PolarHBondContact O-N 3.03Å; K12-Q14 VanDerWaalsContact C-N 3.33Å; K12-Q14 PolarHBondContact O-N 3.36Å; Q14-R17 PolarHBondContact O-N 2.88Å; Q14-V18 WeakPolarHBondContact O-CG2 3.48Å; Q14-V18 PolarHBondContact O-N 3.29Å; Q14-E34 PolarHBondContact NE2-O 3.26Å; Q14-E34 VanDerWaalsContact NE2-O 3.11Å; Q14-E34 PolarHBondContact NE2-OE2 2.84Å; Q14-L38 HydrophobicContact CB-CD1 4.09Å; Q14-L38 HydrophobicContact CG-CB 3.94Å; Q14-L38 HydrophobicContact CG-CD1 4.17Å; Q14-L41 HydrophobicContact CB-CD1 3.92Å; Q14-L41 HydrophobicContact CG-CD1 4.05Å
15G88.6Confident87.6Confident13 Ų1382 Ų8213%0.13440%0.4CS..Hα-helixtrans-68.5-34174.600000113.9V11 K12 L13 R19V11-G15 PolarHBondContact O-N 3.25Å; K12-G15 PolarHBondContact O-N 2.94Å; K12-G15 VanDerWaalsContact O-N 3.15Å; L13-G15 VanDerWaalsContact C-N 3.33Å; L13-G15 PolarHBondContact O-N 3.31Å; G15-R19 WeakPolarHBondContact O-CG 3.34Å; G15-R19 PolarHBondContact O-N 2.79Å; G15-R19 PolarHBondContact O-NE 3.41Å
16E91.4Very high88Confident90 Ų9081 Ų8142%0.42139%0.391SS..Hα-helixtrans-67.3-42171.3-73.3172.9-175.400111.5K12 L13 V18 R19 G20K12-E16 WeakPolarHBondContact O-CG 3.2Å; K12-E16 PolarHBondContact O-N 2.94Å; L13-E16 PolarHBondContact O-N 2.88Å; E16-V18 PolarHBondContact O-N 3.13Å; E16-R19 PolarHBondContact O-N 2.81Å; E16-G20 PolarHBondContact O-N 3Å
17R88.9Confident88.3Confident147 Ų14781.5 Ų81.556%0.55539%0.392SS*.Hα-helixtrans-59.1-47.5175-170.8174.3-176.4175.60.1112.4L13 Q14 R19 G20 L21 E34L13-R17 PolarHBondContact O-N 2.79Å; Q14-R17 PolarHBondContact O-N 2.88Å; R17-R19 VanDerWaalsContact C-N 3.31Å; R17-R19 PolarHBondContact O-N 2.8Å; R17-G20 PolarHBondContact O-N 3.03Å; R17-L21 HydrophobicContact CG-CD1 4.33Å; R17-L21 WeakPolarHBondContact O-CG 3.2Å; R17-L21 PolarHBondContact O-N 3.48Å; R17-E34 WeakPolarHBondContact CD-OE2 3.38Å; R17-E34 IonicContact CZ-OE2 3.75Å; R17-E34 IonicContact NE-OE2 2.71Å; R17-E34 PolarHBondContact NE-OE2 3.11Å; R17-E34 IonicContact NH1-OE2 3.61Å
18V89.4Confident88.3Confident9 Ų983.3 Ų83.36%0.05541%0.412CS..Hα-helixtrans-59.6-41175.4170.30000111.5Q14 E16 K22 E34 V35Q14-V18 WeakPolarHBondContact O-CG2 3.48Å; Q14-V18 PolarHBondContact O-N 3.29Å; E16-V18 PolarHBondContact O-N 3.13Å; V18-K22 HydrophobicContact CG1-CD 4.39Å; V18-K22 WeakPolarHBondContact O-CG 3.46Å; V18-K22 PolarHBondContact O-N 2.97Å; V18-K22 VanDerWaalsContact O-N 3.1Å; V18-E34 HydrophobicContact CG2-CB 3.86Å; V18-V35 HydrophobicContact CG1-CG2 3.66Å; V18-V35 HydrophobicContact CG2-CG2 4.2Å
19R89.6Confident88.5Confident148 Ų14887.2 Ų87.256%0.55843%0.43SS*.Hα-helixtrans-66.8-42.4177.5-78.9-178.7-73.2-165.73.9112.3G15 E16 R17 K22 Q23G15-R19 WeakPolarHBondContact O-CG 3.34Å; G15-R19 PolarHBondContact O-N 2.79Å; G15-R19 PolarHBondContact O-NE 3.41Å; E16-R19 PolarHBondContact O-N 2.81Å; R17-R19 VanDerWaalsContact C-N 3.31Å; R17-R19 PolarHBondContact O-N 2.8Å; R19-K22 PolarHBondContact O-N 3.32Å; R19-Q23 WeakPolarHBondContact O-CG 3.31Å; R19-Q23 PolarHBondContact O-N 3.33Å
20G89.5Confident88.4Confident20 Ų2086.2 Ų86.221%0.20643%0.428CS..Hα-helixtrans-60.6-45.6175.500000112.3E16 R17 K22 Q23 Q24E16-G20 PolarHBondContact O-N 3Å; R17-G20 PolarHBondContact O-N 3.03Å; G20-K22 VanDerWaalsContact C-N 3.34Å; G20-K22 PolarHBondContact O-N 3.48Å; G20-Q23 PolarHBondContact O-N 3.28Å; G20-Q24 WeakPolarHBondContact O-CB 3.44Å; G20-Q24 VanDerWaalsContact O-CG 3.31Å; G20-Q24 WeakPolarHBondContact O-CG 3.27Å; G20-Q24 PolarHBondContact O-N 2.99Å
21L89Confident88.3Confident26 Ų2683.4 Ų83.414%0.13641%0.413CS..Hα-helixtrans-62.8-38.4177.4-70.5173.4000112.7R17 Q24 K25 A26 L30 I31 E34R17-L21 HydrophobicContact CG-CD1 4.33Å; R17-L21 WeakPolarHBondContact O-CG 3.2Å; R17-L21 PolarHBondContact O-N 3.48Å; L21-Q24 PolarHBondContact O-N 3.44Å; L21-K25 PolarHBondContact O-N 2.88Å; L21-A26 HydrophobicContact CB-CB 4.19Å; L21-A26 HydrophobicContact CD2-CB 3.96Å; L21-A26 PolarHBondContact O-N 2.82Å; L21-L30 HydrophobicContact CD1-CD2 4.3Å; L21-L30 HydrophobicContact CD2-CD2 3.89Å; L21-I31 HydrophobicContact CB-CG1 4.17Å; L21-E34 HydrophobicContact CD1-CB 4.24Å; L21-E34 HydrophobicContact CD1-CG 3.78Å
22K86.5Confident88.4Confident124 Ų12489.3 Ų89.354%0.53944%0.439SS..Hα-helixtrans-65.5-40.6173.6-75.6-179.3177.2-171.10112.4V18 R19 G20 K25 I31V18-K22 HydrophobicContact CG1-CD 4.39Å; V18-K22 WeakPolarHBondContact O-CG 3.46Å; V18-K22 PolarHBondContact O-N 2.97Å; V18-K22 VanDerWaalsContact O-N 3.1Å; R19-K22 PolarHBondContact O-N 3.32Å; G20-K22 VanDerWaalsContact C-N 3.34Å; G20-K22 PolarHBondContact O-N 3.48Å; K22-K25 PolarHBondContact O-N 3.36Å; K22-I31 HydrophobicContact CD-CG2 4.46Å; K22-I31 HydrophobicContact CG-CD1 4.06Å; K22-I31 HydrophobicContact CG-CG1 4.46Å; K22-I31 HydrophobicContact CG-CG2 3.99Å
23Q89.8Confident88.4Confident164 Ų16489.5 Ų89.577%0.76644%0.442SS*.Hα-helixtrans-67.9-35.8177.2-75.9177.3-800112.4R19 G20 K25R19-Q23 WeakPolarHBondContact O-CG 3.31Å; R19-Q23 PolarHBondContact O-N 3.33Å; G20-Q23 PolarHBondContact O-N 3.28Å; Q23-K25 PolarHBondContact O-N 3.3Å
24Q89.8Confident88.4Confident152 Ų15285.4 Ų85.471%0.7142%0.42SS*.THydrogen-bonded Turntrans-79.81.1177.3-6717217.800113.4G20 L21 A26G20-Q24 WeakPolarHBondContact O-CB 3.44Å; G20-Q24 VanDerWaalsContact O-CG 3.31Å; G20-Q24 WeakPolarHBondContact O-CG 3.27Å; G20-Q24 PolarHBondContact O-N 2.99Å; L21-Q24 PolarHBondContact O-N 3.44Å; Q24-A26 VanDerWaalsContact C-N 3.26Å; Q24-A26 PolarHBondContact O-N 3.1Å
25K87.8Confident88.2Confident192 Ų19286.4 Ų86.484%0.83543%0.427SS*.THydrogen-bonded Turntrans51.442.8-176.4-59.7-176.2179.3-179.30112.9L21 K22 Q23L21-K25 PolarHBondContact O-N 2.88Å; K22-K25 PolarHBondContact O-N 3.36Å; Q23-K25 PolarHBondContact O-N 3.3Å
26A85.9Confident88.3Confident30 Ų3087.1 Ų87.125%0.24844%0.435CS..  trans-61.1165.5173.400000111.6L21 Q24 L30 I31L21-A26 HydrophobicContact CB-CB 4.19Å; L21-A26 HydrophobicContact CD2-CB 3.96Å; L21-A26 PolarHBondContact O-N 2.82Å; Q24-A26 VanDerWaalsContact C-N 3.26Å; Q24-A26 PolarHBondContact O-N 3.1Å; A26-L30 HydrophobicContact CB-CD2 4.2Å; A26-I31 HydrophobicContact CB-CG1 4.47Å; A26-I31 WeakPolarHBondContact O-CD1 3.48Å
27S88.6Confident88.2Confident68 Ų6886.7 Ų86.748%0.47643%0.432SS..  trans-58.5145.7-179.761.20000112E29 L30 I31S27-E29 VanDerWaalsContact C-N 3.26Å; S27-E29 PolarHBondContact O-N 3.45Å; S27-L30 PolarHBondContact O-N 2.69Å; S27-L30 WeakPolarHBondContact OG-CB 3.13Å; S27-I31 PolarHBondContact O-N 2.78Å
28A83.4Confident88.2Confident76 Ų7680.8 Ų80.863%0.62841%0.411SS*.Hα-helixtrans-58.2-40.1-178.200000112.1L30 I31 E32A28-L30 VanDerWaalsContact C-N 3.34Å; A28-L30 PolarHBondContact O-N 2.73Å; A28-I31 PolarHBondContact O-N 2.83Å; A28-E32 WeakPolarHBondContact O-CB 3.37Å; A28-E32 PolarHBondContact O-N 3.37Å
29E87.4Confident88Confident159 Ų15985.6 Ų85.674%0.74344%0.436SS*.Hα-helixtrans-58.2-43.3177.6-66.5163.5174.800112.2S27 E32 E33S27-E29 VanDerWaalsContact C-N 3.26Å; S27-E29 PolarHBondContact O-N 3.45Å; E29-E32 PolarHBondContact O-N 2.81Å; E29-E33 PolarHBondContact O-N 2.78Å
30L85.5Confident87.9Confident69 Ų6985.7 Ų85.736%0.36144%0.44SS..Hα-helixtrans-70.2-38.2-180-167.378.9000111.7L21 A26 S27 A28 E32 E34L21-L30 HydrophobicContact CD1-CD2 4.3Å; L21-L30 HydrophobicContact CD2-CD2 3.89Å; A26-L30 HydrophobicContact CB-CD2 4.2Å; S27-L30 PolarHBondContact O-N 2.69Å; S27-L30 WeakPolarHBondContact OG-CB 3.13Å; A28-L30 VanDerWaalsContact C-N 3.34Å; A28-L30 PolarHBondContact O-N 2.73Å; L30-E32 VanDerWaalsContact C-N 3.34Å; L30-E34 VanDerWaalsContact O-CG 3.31Å; L30-E34 WeakPolarHBondContact O-CG 3.41Å; L30-E34 PolarHBondContact O-N 2.91Å
31I86.6Confident87.7Confident29 Ų2986.4 Ų86.415%0.14944%0.439CS..Hα-helixtrans-65.9-41.6176.5-66.6168000110L21 K22 A26 S27 A28 E34 V35L21-I31 HydrophobicContact CB-CG1 4.17Å; K22-I31 HydrophobicContact CD-CG2 4.46Å; K22-I31 HydrophobicContact CG-CD1 4.06Å; K22-I31 HydrophobicContact CG-CG1 4.46Å; K22-I31 HydrophobicContact CG-CG2 3.99Å; A26-I31 HydrophobicContact CB-CG1 4.47Å; A26-I31 WeakPolarHBondContact O-CD1 3.48Å; S27-I31 PolarHBondContact O-N 2.78Å; A28-I31 PolarHBondContact O-N 2.83Å; I31-E34 PolarHBondContact O-N 3.31Å; I31-V35 HydrophobicContact CG2-CG2 4.31Å; I31-V35 WeakPolarHBondContact O-CB 3.49Å; I31-V35 WeakPolarHBondContact O-CG2 3.4Å; I31-V35 PolarHBondContact O-N 2.96Å
32E88Confident87.4Confident144 Ų14490.7 Ų90.767%0.67346%0.457SS*.Hα-helixtrans-66.4-41.9-179.9-167166.6-164.300112A28 E29 L30 E34 V35 G36A28-E32 WeakPolarHBondContact O-CB 3.37Å; A28-E32 PolarHBondContact O-N 3.37Å; E29-E32 PolarHBondContact O-N 2.81Å; L30-E32 VanDerWaalsContact C-N 3.34Å; E32-E34 PolarHBondContact O-N 3.24Å; E32-V35 PolarHBondContact O-N 3.17Å; E32-G36 PolarHBondContact O-N 3.06Å
33E89.9Confident87.2Confident105 Ų10588.6 Ų88.649%0.49146%0.463SS..Hα-helixtrans-58.7-47.8174.2-167.4-165.1151.400111.9E29 G36 K37E29-E33 PolarHBondContact O-N 2.78Å; E33-G36 PolarHBondContact O-N 3.28Å; E33-K37 PolarHBondContact O-N 3.37Å; E33-K37 VanDerWaalsContact OE1-CE 3.26Å; E33-K37 WeakPolarHBondContact OE1-CE 3.34Å; E33-K37 IonicContact OE1-NZ 2.72Å; E33-K37 PolarHBondContact OE1-NZ 2.98Å
34E89.6Confident86.8Confident5 Ų587.1 Ų87.12%0.02346%0.456CS..Hα-helixtrans-72.1-29.8-178-65.7-66127.200112.6Q14 R17 V18 L21 L30 I31 E32 K37 L38Q14-E34 PolarHBondContact NE2-O 3.26Å; Q14-E34 VanDerWaalsContact NE2-O 3.11Å; Q14-E34 PolarHBondContact NE2-OE2 2.84Å; R17-E34 WeakPolarHBondContact CD-OE2 3.38Å; R17-E34 IonicContact CZ-OE2 3.75Å; R17-E34 IonicContact NE-OE2 2.71Å; R17-E34 PolarHBondContact NE-OE2 3.11Å; R17-E34 IonicContact NH1-OE2 3.61Å; V18-E34 HydrophobicContact CG2-CB 3.86Å; L21-E34 HydrophobicContact CD1-CB 4.24Å; L21-E34 HydrophobicContact CD1-CG 3.78Å; L30-E34 VanDerWaalsContact O-CG 3.31Å; L30-E34 WeakPolarHBondContact O-CG 3.41Å; L30-E34 PolarHBondContact O-N 2.91Å; I31-E34 PolarHBondContact O-N 3.31Å; E32-E34 PolarHBondContact O-N 3.24Å; E34-K37 PolarHBondContact O-N 3.36Å; E34-K37 IonicContact OE1-NZ 3.83Å; E34-K37 PolarHBondContact OE1-NZ 3.4Å; E34-L38 PolarHBondContact O-N 3.48Å; E34-L38 VanDerWaalsContact O-N 3.08Å
35V87.9Confident86.2Confident44 Ų4481.7 Ų81.727%0.26743%0.431SS..Hα-helixtrans-66.5-41.3168.5168.10000110.7V18 I31 E32 K37 L38 L39V18-V35 HydrophobicContact CG1-CG2 3.66Å; V18-V35 HydrophobicContact CG2-CG2 4.2Å; I31-V35 HydrophobicContact CG2-CG2 4.31Å; I31-V35 WeakPolarHBondContact O-CB 3.49Å; I31-V35 WeakPolarHBondContact O-CG2 3.4Å; I31-V35 PolarHBondContact O-N 2.96Å; E32-V35 PolarHBondContact O-N 3.17Å; V35-K37 VanDerWaalsContact C-N 3.32Å; V35-K37 PolarHBondContact O-N 3.27Å; V35-L38 WeakPolarHBondContact O-CB 3.44Å; V35-L38 PolarHBondContact O-N 2.96Å; V35-L39 HydrophobicContact CG1-CD1 4.14Å; V35-L39 HydrophobicContact CG1-CG 4.47Å; V35-L39 WeakPolarHBondContact O-CG 3.33Å; V35-L39 PolarHBondContact O-N 2.91Å
36G89.1Confident85.1Confident29 Ų2974.2 Ų74.230%0.29941%0.409SS..Hα-helixtrans-58.7-42174.400000112.6E32 E33 L39 K40E32-G36 PolarHBondContact O-N 3.06Å; E33-G36 PolarHBondContact O-N 3.28Å; G36-L39 PolarHBondContact O-N 3.38Å; G36-K40 WeakPolarHBondContact O-CG 3.34Å; G36-K40 PolarHBondContact O-N 3.35Å; G36-K40 VanDerWaalsContact O-N 3.13Å
37K89.6Confident83.9Confident81 Ų8177.7 Ų77.735%0.35243%0.429SS..Hα-helixtrans-63.6-43174-68.4172.4-169.7163.90112E33 E34 V35 L39 K40 L41E33-K37 PolarHBondContact O-N 3.37Å; E33-K37 VanDerWaalsContact OE1-CE 3.26Å; E33-K37 WeakPolarHBondContact OE1-CE 3.34Å; E33-K37 IonicContact OE1-NZ 2.72Å; E33-K37 PolarHBondContact OE1-NZ 2.98Å; E34-K37 PolarHBondContact O-N 3.36Å; E34-K37 IonicContact OE1-NZ 3.83Å; E34-K37 PolarHBondContact OE1-NZ 3.4Å; V35-K37 VanDerWaalsContact C-N 3.32Å; V35-K37 PolarHBondContact O-N 3.27Å; K37-L39 VanDerWaalsContact C-N 3.35Å; K37-L39 PolarHBondContact O-N 3.18Å; K37-K40 PolarHBondContact O-N 2.83Å; K37-L41 WeakPolarHBondContact O-CG 3.48Å; K37-L41 PolarHBondContact O-N 3.5Å
38L88.4Confident82.4Confident23 Ų2377 Ų7712%0.1242%0.42CS..Hα-helixtrans-60.7-42.1176.1-179.362.7000112.3V11 Q14 E34 V35 L41 K42V11-L38 HydrophobicContact CG1-CD1 4.04Å; V11-L38 WeakPolarHBondContact O-CD1 3.33Å; Q14-L38 HydrophobicContact CB-CD1 4.09Å; Q14-L38 HydrophobicContact CG-CB 3.94Å; Q14-L38 HydrophobicContact CG-CD1 4.17Å; E34-L38 PolarHBondContact O-N 3.48Å; E34-L38 VanDerWaalsContact O-N 3.08Å; V35-L38 WeakPolarHBondContact O-CB 3.44Å; V35-L38 PolarHBondContact O-N 2.96Å; L38-L41 PolarHBondContact O-N 3.42Å; L38-K42 WeakPolarHBondContact O-CG 3.4Å; L38-K42 PolarHBondContact O-N 3.48Å
39L85.3Confident81.1Confident109 Ų10980.4 Ų80.457%0.57142%0.423SS*.Hα-helixtrans-65.6-40.2178.5-72171.3000111.9V35 G36 K37 K42 A43V35-L39 HydrophobicContact CG1-CD1 4.14Å; V35-L39 HydrophobicContact CG1-CG 4.47Å; V35-L39 WeakPolarHBondContact O-CG 3.33Å; V35-L39 PolarHBondContact O-N 2.91Å; G36-L39 PolarHBondContact O-N 3.38Å; K37-L39 VanDerWaalsContact C-N 3.35Å; K37-L39 PolarHBondContact O-N 3.18Å; L39-K42 PolarHBondContact O-N 2.89Å; L39-A43 WeakPolarHBondContact O-CB 3.39Å; L39-A43 PolarHBondContact O-N 2.93Å
40K87.9Confident79.5Confident151 Ų15177.5 Ų77.566%0.65742%0.42SS*.Hα-helixtrans-62.5-44.2174.5-73178.3-179.3178.90112.1G36 K37 K42 A43 Q44G36-K40 WeakPolarHBondContact O-CG 3.34Å; G36-K40 PolarHBondContact O-N 3.35Å; G36-K40 VanDerWaalsContact O-N 3.13Å; K37-K40 PolarHBondContact O-N 2.83Å; K40-K42 PolarHBondContact O-N 3Å; K40-A43 PolarHBondContact O-N 3.19Å; K40-Q44 WeakPolarHBondContact O-CG 3.49Å; K40-Q44 PolarHBondContact O-N 3.05Å; K40-Q44 VanDerWaalsContact O-N 3.08Å
41L85.9Confident77.9Confident35 Ų3581.9 Ų81.918%0.18344%0.437CS..Hα-helixtrans-63.2-40.8176.4-73171.4000111.9V11 Q14 K37 L38 Q44 L45V11-L41 HydrophobicContact CG2-CB 3.71Å; Q14-L41 HydrophobicContact CB-CD1 3.92Å; Q14-L41 HydrophobicContact CG-CD1 4.05Å; K37-L41 WeakPolarHBondContact O-CG 3.48Å; K37-L41 PolarHBondContact O-N 3.5Å; L38-L41 PolarHBondContact O-N 3.42Å; L41-Q44 PolarHBondContact O-N 3.33Å; L41-L45 PolarHBondContact O-N 2.88Å; L41-L45 VanDerWaalsContact O-N 3.09Å
42K81.5Confident76.5Confident115 Ų11588.2 Ų88.250%0.547%0.466SS..Hα-helixtrans-65.3-36174.6-77-175.7175.1-174.50113.1V11 L38 L39 K40 Q44 L45V11-K42 HydrophobicContact CG1-CG 3.92Å; V11-K42 HydrophobicContact CG2-CG 4.39Å; L38-K42 WeakPolarHBondContact O-CG 3.4Å; L38-K42 PolarHBondContact O-N 3.48Å; L39-K42 PolarHBondContact O-N 2.89Å; K40-K42 PolarHBondContact O-N 3Å; K42-Q44 VanDerWaalsContact C-N 3.33Å; K42-L45 PolarHBondContact O-N 3.44Å
43A82.8Confident75.5Confident80 Ų8090.3 Ų90.366%0.66147%0.472SS*.Hα-helixtrans-65.8-37.6175.400000111.8L39 K40 G46L39-A43 WeakPolarHBondContact O-CB 3.39Å; L39-A43 PolarHBondContact O-N 2.93Å; K40-A43 PolarHBondContact O-N 3.19Å; A43-G46 PolarHBondContact O-N 2.84Å
44Q82.3Confident75.2Confident134 Ų13493.6 Ų93.663%0.62649%0.485SS*.Hα-helixtrans-70.2-30.2175.8-70.8175.3-3.400113.2L7 K40 L41 K42 G46L7-Q44 HydrophobicContact CD2-CB 3.83Å; K40-Q44 WeakPolarHBondContact O-CG 3.49Å; K40-Q44 PolarHBondContact O-N 3.05Å; K40-Q44 VanDerWaalsContact O-N 3.08Å; L41-Q44 PolarHBondContact O-N 3.33Å; K42-Q44 VanDerWaalsContact C-N 3.33Å; Q44-G46 PolarHBondContact O-N 2.7Å
45L76Confident75.2Confident37 Ų3797.9 Ų97.919%0.19451%0.512CS..Hα-helixtrans-68.5-22.9179-167.766.8000113.1R4 L7 E8 V11 L41 K42R4-L45 HydrophobicContact CG-CD1 3.86Å; L7-L45 HydrophobicContact CB-CD1 3.91Å; L7-L45 HydrophobicContact CD2-CB 3.9Å; L7-L45 HydrophobicContact CD2-CD1 3.85Å; L7-L45 HydrophobicContact CG-CD1 4.38Å; E8-L45 HydrophobicContact CG-CD1 3.6Å; E8-L45 HydrophobicContact CG-CD2 3.89Å; E8-L45 HydrophobicContact CG-CG 4.37Å; V11-L45 HydrophobicContact CG2-CD2 4.49Å; L41-L45 PolarHBondContact O-N 2.88Å; L41-L45 VanDerWaalsContact O-N 3.09Å; K42-L45 PolarHBondContact O-N 3.44Å
46G65.8Low75.5Confident36 Ų36103.3 Ų103.337%0.37154%0.538SS..  trans64.9178-173.200000112.6A43 Q44A43-G46 PolarHBondContact O-N 2.84Å; Q44-G46 PolarHBondContact O-N 2.7Å
47P60.6Low75.7Confident102 Ų102110 Ų11066%0.66256%0.559SS**  trans-63.4142.6176.524.7-31.1000111.5R4 E49R4-P47 PolarHBondContact NH2-O 2.85Å; P47-E49 PolarHBondContact O-N 3.17Å
48D57.3Low75.9Confident55 Ų55108.6 Ų108.629%0.29456%0.557SS.*  trans-72.986.8177.6-163.24.4000111.1R4 S50 K51R4-D48 VanDerWaalsContact NH2-CA 3.32Å; R4-D48 IonicContact NH2-OD1 3.21Å; R4-D48 PolarHBondContact NH2-OD1 3.4Å; D48-S50 VanDerWaalsContact CG-OG 3.31Å; D48-S50 PolarHBondContact O-N 3Å; D48-S50 VanDerWaalsContact O-N 3.13Å; D48-S50 PolarHBondContact OD1-N 3.21Å; D48-S50 PolarHBondContact OD1-OG 3.05Å; D48-S50 PolarHBondContact OD2-OG 2.84Å; D48-K51 HydrophobicContact CB-CB 4.42Å; D48-K51 CarbonylContact O-C 3.58Å; D48-K51 PolarHBondContact O-N 2.86Å
49E55.3Low76.2Confident146 Ų146112 Ų11268%0.68258%0.581SS**G310 helixtrans-55.6-26.9177.7-67.6-169.2163.200112.5P47 K51P47-E49 PolarHBondContact O-N 3.17Å; E49-K51 PolarHBondContact O-N 2.69Å
50S54.7Low76.6Confident99 Ų99113.5 Ų113.569%0.69258%0.583SS**G310 helixtrans-71.9-11.5177.478.70000114.1D48D48-S50 VanDerWaalsContact CG-OG 3.31Å; D48-S50 PolarHBondContact O-N 3Å; D48-S50 VanDerWaalsContact O-N 3.13Å; D48-S50 PolarHBondContact OD1-N 3.21Å; D48-S50 PolarHBondContact OD1-OG 3.05Å; D48-S50 PolarHBondContact OD2-OG 2.84Å
51K51.9Low76.8Confident161 Ų161106.6 Ų106.670%0.755%0.554SS**G310 helixtrans-128.930.7179.9-74-176.4-176.31620113.1D48 E49 K53D48-K51 HydrophobicContact CB-CB 4.42Å; D48-K51 CarbonylContact O-C 3.58Å; D48-K51 PolarHBondContact O-N 2.86Å; E49-K51 PolarHBondContact O-N 2.69Å; K51-K53 PolarHBondContact O-N 3.22Å
52Q55.9Low77.1Confident162 Ų162106.2 Ų106.276%0.75755%0.554SS**  trans-66.290.3157.9-79.4-1664.500108.2F54Q52-F54 PolarHBondContact O-N 3.5Å
53K66.9Low77.7Confident188 Ų188103 Ų10382%0.81754%0.538SS*.  trans-57.2105.4168.4-170.6177.1-176.2-179.80105.8K51 V55K51-K53 PolarHBondContact O-N 3.22Å; K53-V55 WeakPolarHBondContact O-CG2 3.47Å; K53-V55 PolarHBondContact O-N 2.89Å; K53-V55 VanDerWaalsContact O-N 3.12Å
54F84.3Confident78.3Confident173 Ų173105.2 Ų105.276%0.75954%0.539SS*.  trans-50.5121.7177173.7-96.5000108.7Q52 L56Q52-F54 PolarHBondContact O-N 3.5Å; F54-L56 HydrophobicContact CE1-CB 4.35Å; F54-L56 HydrophobicContact CE1-CD1 4.04Å; F54-L56 HydrophobicContact CZ-CD1 4.48Å
55V90.3Very high78.9Confident96 Ų96100.8 Ų100.858%0.58252%0.517SS*.  trans-104.7115.2178.6-178.40000107.4K53 K57K53-V55 WeakPolarHBondContact O-CG2 3.47Å; K53-V55 PolarHBondContact O-N 2.89Å; K53-V55 VanDerWaalsContact O-N 3.12Å; V55-K57 HydrophobicContact CG1-CB 4.43Å; V55-K57 HydrophobicContact CG1-CD 4.17Å; V55-K57 HydrophobicContact CG1-CG 4.28Å; V55-K57 PolarHBondContact O-N 2.91Å; V55-K57 VanDerWaalsContact O-N 3.11Å
56L93.5Very high79.8Confident158 Ų158101.4 Ų101.483%0.82752%0.524SS*.  trans-69105.5172.3-166.696.3000108.8F54F54-L56 HydrophobicContact CE1-CB 4.35Å; F54-L56 HydrophobicContact CE1-CD1 4.04Å; F54-L56 HydrophobicContact CZ-CD1 4.48Å
57K93.6Very high81.2Confident170 Ų170103.8 Ų103.874%0.73953%0.533SS*.  trans-156155.6176.364.5178.4-177.6-177.70110.8V55V55-K57 HydrophobicContact CG1-CB 4.43Å; V55-K57 HydrophobicContact CG1-CD 4.17Å; V55-K57 HydrophobicContact CG1-CG 4.28Å; V55-K57 PolarHBondContact O-N 2.91Å; V55-K57 VanDerWaalsContact O-N 3.11Å
58T94.3Very high82.8Confident50 Ų50103.3 Ų103.331%0.30752%0.518SS..PPolyproline II helixtrans-72.3159165.257.90000110.7T62T58-T62 PolarHBondContact OG1-O 3.08Å
59P95.1Very high84.5Confident94 Ų94102.7 Ų102.761%0.6151%0.514SS*.PPolyproline II helixtrans-52.8145.3168.7-26.634.4000112.4G61 T62P59-G61 PolarHBondContact O-N 2.96Å; P59-T62 HydrophobicContact CB-CG2 4.08Å; P59-T62 VanDerWaalsContact CD-OG1 3.3Å; P59-T62 WeakPolarHBondContact CD-OG1 3.39Å; P59-T62 PolarHBondContact O-N 3.06Å; P59-T62 PolarHBondContact O-OG1 3.01Å
60K92.6Very high86.5Confident142 Ų14299.9 Ų99.962%0.61750%0.501SS*.THydrogen-bonded Turntrans-54.8128.1180-179.8-179.7178.6-178.80110.5T62 P161 R169K60-T62 VanDerWaalsContact C-N 3.35Å; K60-P161 HydrophobicContact CG-CG 4.17Å; K60-R169 WeakPolarHBondContact O-CD 3.1Å
61G91.5Very high88.4Confident6 Ų695.8 Ų95.86%0.06247%0.474CS..THydrogen-bonded Turntrans79.913.5179.900000114.5P59 R169 E170P59-G61 PolarHBondContact O-N 2.96Å; G61-R169 PolarHBondContact O-N 2.88Å; G61-E170 PolarHBondContact O-N 3.39Å
62T93.9Very high90.3Very high27 Ų2788.2 Ų88.217%0.16644%0.441CS..  trans-121.9158.7172.8710000110T58 P59 K60 E170T58-T62 PolarHBondContact OG1-O 3.08Å; P59-T62 HydrophobicContact CB-CG2 4.08Å; P59-T62 VanDerWaalsContact CD-OG1 3.3Å; P59-T62 WeakPolarHBondContact CD-OG1 3.39Å; P59-T62 PolarHBondContact O-N 3.06Å; P59-T62 PolarHBondContact O-OG1 3.01Å; K60-T62 VanDerWaalsContact C-N 3.35Å; T62-E170 HydrophobicContact CG2-CB 3.87Å
63R92.4Very high92.2Very high47 Ų4780.6 Ų80.618%0.17741%0.405CS..  trans-146.7152.5-18063.2177.2172.9170.70.1111.5Y65 Y168 E387R63-Y65 HydrophobicContact CG-CE1 3.87Å; R63-Y65 HydrophobicContact CG-CE2 4.45Å; R63-Y65 PolarHBondContact NE-OH 3.35Å; R63-Y168 PolarHBondContact NH1-OH 3.1Å; R63-E387 IonicContact CZ-OE2 3.18Å; R63-E387 IonicContact NH2-OE2 2.71Å; R63-E387 PolarHBondContact NH2-OE2 2.8Å
64D95.4Very high93.5Very high126 Ų12677.7 Ų77.767%0.67439%0.394SS*.  trans-74.8157.7163.8-57.9-45.2000110
65Y94.6Very high94Very high41 Ų4175 Ų7516%0.16138%0.383CS..  trans-112.2112.3172.9-64.2-70.2000109.1R63 Q69 M70 R73R63-Y65 HydrophobicContact CG-CE1 3.87Å; R63-Y65 HydrophobicContact CG-CE2 4.45Å; R63-Y65 PolarHBondContact NE-OH 3.35Å; Y65-Q69 HydrophobicContact CD1-CB 4.39Å; Y65-M70 VanDerWaalsContact CB-SD 3.55Å; Y65-M70 HydrophobicContact CG-SD 4.23Å; Y65-R73 VanDerWaalsContact CD1-NH1 3.29Å; Y65-R73 VanDerWaalsContact CD2-NH1 3.27Å; Y65-R73 VanDerWaalsContact CE1-NE 3.3Å; Y65-R73 PolarHBondContact OH-NH2 2.66Å
66S95.6Very high94.3Very high50 Ų5070.6 Ų70.635%0.3536%0.356SS..  trans-67.1162.3175.8680000111.4R68 Q69 M70S66-R68 PolarHBondContact O-N 2.76Å; S66-R68 VanDerWaalsContact O-N 3.16Å; S66-Q69 PolarHBondContact O-N 2.91Å; S66-Q69 WeakPolarHBondContact OG-CG 3.36Å; S66-Q69 PolarHBondContact OG-N 2.82Å; S66-Q69 PolarHBondContact OG-OE1 2.97Å; S66-Q69 VanDerWaalsContact OG-OE1 3.12Å; S66-M70 PolarHBondContact O-N 2.75Å
67P96.3Very high94.5Very high86 Ų8664.5 Ų64.556%0.55832%0.322SS*.Hα-helixtrans-53.6-36.8177-28.636.2000113.8M70 A71 T406P67-M70 PolarHBondContact O-N 3.05Å; P67-A71 PolarHBondContact O-N 2.95Å; P67-T406 HydrophobicContact CB-CG2 3.97Å
68R93.5Very high94.7Very high93 Ų9359.8 Ų59.835%0.35131%0.305SS..Hα-helixtrans-63.4-47.7175.3180179.8172.2124.5-6.5111.9S66 M70 A71 V72 E398 T406S66-R68 PolarHBondContact O-N 2.76Å; S66-R68 VanDerWaalsContact O-N 3.16Å; R68-M70 VanDerWaalsContact C-N 3.31Å; R68-M70 PolarHBondContact O-N 2.73Å; R68-A71 PolarHBondContact O-N 2.76Å; R68-V72 PolarHBondContact O-N 2.83Å; R68-E398 IonicContact CZ-OE1 3.49Å; R68-E398 IonicContact NE-OE1 3.37Å; R68-E398 IonicContact NH2-OE1 2.84Å; R68-E398 PolarHBondContact NH2-OE1 3.48Å; R68-T406 HydrophobicContact CB-CG2 4.24Å
69Q93.3Very high94.9Very high42 Ų4258.5 Ų58.520%0.19630%0.297CS..Hα-helixtrans-65.5-37177.8-71.4166.5-3900111.6Y65 S66 V72 R73 E394Y65-Q69 HydrophobicContact CD1-CB 4.39Å; S66-Q69 PolarHBondContact O-N 2.91Å; S66-Q69 WeakPolarHBondContact OG-CG 3.36Å; S66-Q69 PolarHBondContact OG-N 2.82Å; S66-Q69 PolarHBondContact OG-OE1 2.97Å; S66-Q69 VanDerWaalsContact OG-OE1 3.12Å; Q69-V72 PolarHBondContact O-N 3.22Å; Q69-R73 WeakPolarHBondContact O-CB 3.37Å; Q69-R73 WeakPolarHBondContact O-CD 3.4Å; Q69-R73 WeakPolarHBondContact O-CG 3.32Å; Q69-R73 PolarHBondContact O-N 3.43Å; Q69-E394 WeakPolarHBondContact CG-OE1 3.48Å
70M96.8Very high95Very high86 Ų8654 Ų5442%0.42427%0.268SS..Hα-helixtrans-64.5-41.1175.2-72.9-56.1-58.800112.2Y65 S66 P67 R68 V72 R73 E74Y65-M70 VanDerWaalsContact CB-SD 3.55Å; Y65-M70 HydrophobicContact CG-SD 4.23Å; S66-M70 PolarHBondContact O-N 2.75Å; P67-M70 PolarHBondContact O-N 3.05Å; R68-M70 VanDerWaalsContact C-N 3.31Å; R68-M70 PolarHBondContact O-N 2.73Å; M70-V72 VanDerWaalsContact C-N 3.32Å; M70-V72 PolarHBondContact O-N 3.43Å; M70-R73 WeakPolarHBondContact O-CB 3.11Å; M70-R73 PolarHBondContact O-N 2.93Å; M70-E74 WeakPolarHBondContact O-CB 3.36Å; M70-E74 PolarHBondContact O-N 3.42Å
71A93.9Very high95.3Very high14 Ų1449.4 Ų49.412%0.11625%0.25CS..Hα-helixtrans-61-39.7175.200000112.5P67 R68 K75 V404P67-A71 PolarHBondContact O-N 2.95Å; R68-A71 PolarHBondContact O-N 2.76Å; A71-K75 WeakPolarHBondContact O-CG 3.2Å; A71-K75 PolarHBondContact O-N 3.19Å; A71-V404 HydrophobicContact CB-CG1 3.83Å
72V92.9Very high95.7Very high1 Ų155.4 Ų55.41%0.00627%0.271CS..Hα-helixtrans-64.9-45.3174173.70000111R68 Q69 M70 K75 V76 V393 L397R68-V72 PolarHBondContact O-N 2.83Å; Q69-V72 PolarHBondContact O-N 3.22Å; M70-V72 VanDerWaalsContact C-N 3.32Å; M70-V72 PolarHBondContact O-N 3.43Å; V72-K75 PolarHBondContact O-N 2.98Å; V72-V76 WeakPolarHBondContact O-CG2 3.34Å; V72-V76 PolarHBondContact O-N 3.36Å; V72-V76 VanDerWaalsContact O-N 3.07Å; V72-V393 HydrophobicContact CG1-CB 4.06Å; V72-V393 HydrophobicContact CG1-CG1 3.82Å; V72-L397 HydrophobicContact CG2-CD1 3.91Å
73R95.2Very high95.9Very high3 Ų354.2 Ų54.21%0.01126%0.264CS..Hα-helixtrans-61.6-45.4-179.6-75.1168.7159.5-123.1-24.9112.7Y65 Q69 M70 K75 V76 F77 E387 F390Y65-R73 VanDerWaalsContact CD1-NH1 3.29Å; Y65-R73 VanDerWaalsContact CD2-NH1 3.27Å; Y65-R73 VanDerWaalsContact CE1-NE 3.3Å; Y65-R73 PolarHBondContact OH-NH2 2.66Å; Q69-R73 WeakPolarHBondContact O-CB 3.37Å; Q69-R73 WeakPolarHBondContact O-CD 3.4Å; Q69-R73 WeakPolarHBondContact O-CG 3.32Å; Q69-R73 PolarHBondContact O-N 3.43Å; M70-R73 WeakPolarHBondContact O-CB 3.11Å; M70-R73 PolarHBondContact O-N 2.93Å; R73-K75 VanDerWaalsContact C-N 3.34Å; R73-K75 PolarHBondContact O-N 3.08Å; R73-V76 PolarHBondContact O-N 3.02Å; R73-F77 HydrophobicContact CB-CD2 4.45Å; R73-F77 HydrophobicContact CB-CE2 4.34Å; R73-F77 WeakPolarHBondContact O-CB 3.2Å; R73-F77 WeakPolarHBondContact O-CD2 3.49Å; R73-F77 WeakPolarHBondContact O-CG 3.49Å; R73-F77 PolarHBondContact O-N 3.37Å; R73-E387 VanDerWaalsContact NH2-CD 3.27Å; R73-E387 IonicContact NH2-OE1 2.67Å; R73-E387 PolarHBondContact NH2-OE1 2.79Å; R73-E387 IonicContact NH2-OE2 3.72Å; R73-E387 PolarHBondContact NH2-OE2 3.35Å; R73-F390 HydrophobicContact CB-CD1 4.41Å; R73-F390 HydrophobicContact CB-CE1 4.03Å; R73-F390 HydrophobicContact CB-CZ 4.23Å; R73-F390 HydrophobicContact CG-CD1 3.76Å; R73-F390 HydrophobicContact CG-CD2 3.92Å; R73-F390 HydrophobicContact CG-CE1 3.69Å; R73-F390 HydrophobicContact CG-CE2 3.85Å; R73-F390 HydrophobicContact CG-CG 3.89Å; R73-F390 HydrophobicContact CG-CZ 3.73Å
74E95.5Very high96.2Very high126 Ų12652 Ų5259%0.58926%0.255SS*.Hα-helixtrans-59.6-44.9178.2-173.6173.8-175.300111.3M70 V76 F77 D78M70-E74 WeakPolarHBondContact O-CB 3.36Å; M70-E74 PolarHBondContact O-N 3.42Å; E74-V76 PolarHBondContact O-N 3.27Å; E74-F77 PolarHBondContact O-N 3.27Å; E74-D78 VanDerWaalsContact O-CB 3.3Å; E74-D78 WeakPolarHBondContact O-CB 3.3Å; E74-D78 PolarHBondContact O-N 2.94Å
75K93.7Very high96.4Very high118 Ų11852.4 Ų52.451%0.51325%0.251SS..Hα-helixtrans-60.2-43.5175.1-72.5179.8178.9-173.10113A71 V72 R73 V79A71-K75 WeakPolarHBondContact O-CG 3.2Å; A71-K75 PolarHBondContact O-N 3.19Å; V72-K75 PolarHBondContact O-N 2.98Å; R73-K75 VanDerWaalsContact C-N 3.34Å; R73-K75 PolarHBondContact O-N 3.08Å; K75-V79 WeakPolarHBondContact O-CG2 3.28Å; K75-V79 PolarHBondContact O-N 2.64Å
76V96.1Very high96.6Very high3 Ų357.4 Ų57.42%0.01827%0.27CS..Hα-helixtrans-67.3-44.9178.5168.40000110.8V72 R73 E74 D78 V79 I80 L202 I389 F390 V393V72-V76 WeakPolarHBondContact O-CG2 3.34Å; V72-V76 PolarHBondContact O-N 3.36Å; V72-V76 VanDerWaalsContact O-N 3.07Å; R73-V76 PolarHBondContact O-N 3.02Å; E74-V76 PolarHBondContact O-N 3.27Å; V76-D78 VanDerWaalsContact C-N 3.34Å; V76-D78 PolarHBondContact O-N 3.41Å; V76-V79 PolarHBondContact O-N 3.18Å; V76-I80 HydrophobicContact CG1-CD1 3.89Å; V76-I80 WeakPolarHBondContact O-CG1 3.42Å; V76-I80 PolarHBondContact O-N 2.53Å; V76-I80 VanDerWaalsContact O-N 3.15Å; V76-L202 HydrophobicContact CB-CD2 4.26Å; V76-L202 HydrophobicContact CG1-CD2 3.93Å; V76-L202 HydrophobicContact CG2-CD2 4.14Å; V76-I389 HydrophobicContact CG1-CG2 3.77Å; V76-I389 HydrophobicContact CG2-CG2 4.18Å; V76-F390 HydrophobicContact CB-CD1 3.97Å; V76-F390 HydrophobicContact CB-CE1 3.74Å; V76-F390 HydrophobicContact CG1-CD1 3.97Å; V76-F390 HydrophobicContact CG1-CE1 3.59Å; V76-F390 HydrophobicContact CG2-CD1 4.07Å; V76-F390 HydrophobicContact CG2-CE1 4.35Å; V76-V393 HydrophobicContact CG2-CB 4.37Å; V76-V393 HydrophobicContact CG2-CG1 4.42Å; V76-V393 HydrophobicContact CG2-CG2 4Å
77F98.1Very high96.7Very high29 Ų2956.5 Ų56.513%0.12726%0.26CS..Hα-helixtrans-63.7-38.2176.6-72.2-36.4000112.3R73 E74 V79 I80 I81 I152 Y172 C174 V386 F390R73-F77 HydrophobicContact CB-CD2 4.45Å; R73-F77 HydrophobicContact CB-CE2 4.34Å; R73-F77 WeakPolarHBondContact O-CB 3.2Å; R73-F77 WeakPolarHBondContact O-CD2 3.49Å; R73-F77 WeakPolarHBondContact O-CG 3.49Å; R73-F77 PolarHBondContact O-N 3.37Å; E74-F77 PolarHBondContact O-N 3.27Å; F77-V79 PolarHBondContact O-N 3.41Å; F77-I80 PolarHBondContact O-N 2.95Å; F77-I81 HydrophobicContact CB-CD1 4.22Å; F77-I81 VanDerWaalsContact O-CB 3.3Å; F77-I81 WeakPolarHBondContact O-CB 3.49Å; F77-I81 WeakPolarHBondContact O-CG1 3.46Å; F77-I81 PolarHBondContact O-N 3.4Å; F77-I152 HydrophobicContact CD1-CD1 4.46Å; F77-I152 HydrophobicContact CD1-CG2 4.05Å; F77-I152 HydrophobicContact CE1-CG2 3.66Å; F77-I152 HydrophobicContact CZ-CG2 3.97Å; F77-Y172 AromaticContact CZ-CD1 3.89Å; F77-Y172 HydrophobicContact CZ-CD1 3.89Å; F77-Y172 HydrophobicContact CZ-CD2 4.18Å; F77-Y172 HydrophobicContact CZ-CE1 4.22Å; F77-Y172 HydrophobicContact CZ-CE2 4.47Å; F77-Y172 AromaticContact CZ-CG 3.87Å; F77-Y172 HydrophobicContact CZ-CG 3.87Å; F77-C174 VanDerWaalsContact CE1-SG 3.57Å; F77-V386 HydrophobicContact CE1-CB 4.47Å; F77-V386 HydrophobicContact CE1-CG1 4.32Å; F77-V386 HydrophobicContact CE1-CG2 4.15Å; F77-F390 HydrophobicContact CD1-CZ 4.41Å; F77-F390 HydrophobicContact CE1-CE1 4.38Å; F77-F390 AromaticContact CE1-CZ 3.72Å; F77-F390 HydrophobicContact CE1-CZ 3.72Å; F77-F390 HydrophobicContact CE2-CZ 4.18Å; F77-F390 HydrophobicContact CZ-CE1 4.48Å; F77-F390 HydrophobicContact CZ-CE2 4.43Å; F77-F390 AromaticContact CZ-CZ 3.61Å; F77-F390 HydrophobicContact CZ-CZ 3.61Å
78D97.7Very high96.8Very high71 Ų7155 Ų5538%0.3826%0.259SS..Hα-helixtrans-59.2-44.6175.6173.455.6000111.8E74 V76 I80 R82E74-D78 VanDerWaalsContact O-CB 3.3Å; E74-D78 WeakPolarHBondContact O-CB 3.3Å; E74-D78 PolarHBondContact O-N 2.94Å; V76-D78 VanDerWaalsContact C-N 3.34Å; V76-D78 PolarHBondContact O-N 3.41Å; D78-I80 PolarHBondContact O-N 3.49Å; D78-R82 WeakPolarHBondContact O-CB 3.44Å; D78-R82 VanDerWaalsContact O-CG 3.26Å; D78-R82 WeakPolarHBondContact O-CG 3.29Å; D78-R82 PolarHBondContact O-N 2.94Å; D78-R82 IonicContact OD1-CZ 3.21Å; D78-R82 IonicContact OD1-NH1 2.81Å; D78-R82 IonicContact OD2-CZ 3.18Å; D78-R82 IonicContact OD2-NE 2.79Å; D78-R82 IonicContact OD2-NH1 2.8Å; D78-R82 PolarHBondContact OD2-NH1 3.41Å; D78-R82 IonicContact OD2-NH2 3.64Å; D78-R82 PolarHBondContact OD2-NH2 2.78Å
79V98.2Very high97.1Very high23 Ų2351 Ų5114%0.13925%0.247CC..Hα-helixtrans-58.8-48.2173.9173.50000111.6K75 V76 F77 C83 L202K75-V79 WeakPolarHBondContact O-CG2 3.28Å; K75-V79 PolarHBondContact O-N 2.64Å; V76-V79 PolarHBondContact O-N 3.18Å; F77-V79 PolarHBondContact O-N 3.41Å; V79-C83 PolarHBondContact O-N 3.47Å; V79-L202 HydrophobicContact CB-CD2 3.96Å; V79-L202 HydrophobicContact CG1-CD2 3.92Å; V79-L202 HydrophobicContact CG1-CG 4.02Å; V79-L202 HydrophobicContact CG2-CD2 4.33Å
80I98.5Very high97.3Very high0 Ų054.9 Ų54.90%027%0.265CS..Hα-helixtrans-63.6-51-178.8-68168.8000111V76 F77 D78 R82 C83 F84 I152 C174 I198 I384 V386V76-I80 HydrophobicContact CG1-CD1 3.89Å; V76-I80 WeakPolarHBondContact O-CG1 3.42Å; V76-I80 PolarHBondContact O-N 2.53Å; V76-I80 VanDerWaalsContact O-N 3.15Å; F77-I80 PolarHBondContact O-N 2.95Å; D78-I80 PolarHBondContact O-N 3.49Å; I80-R82 VanDerWaalsContact C-N 3.34Å; I80-R82 PolarHBondContact O-N 2.81Å; I80-C83 WeakPolarHBondContact O-CB 3.38Å; I80-C83 PolarHBondContact O-N 3.18Å; I80-C83 VanDerWaalsContact O-N 3.14Å; I80-F84 HydrophobicContact CG2-CD2 3.75Å; I80-F84 HydrophobicContact CG2-CE1 4.23Å; I80-F84 HydrophobicContact CG2-CE2 3.24Å; I80-F84 HydrophobicContact CG2-CG 4.46Å; I80-F84 HydrophobicContact CG2-CZ 3.53Å; I80-F84 WeakPolarHBondContact O-CG 3.34Å; I80-F84 PolarHBondContact O-N 3.02Å; I80-I152 HydrophobicContact CG2-CD1 4.29Å; I80-C174 HydrophobicContact CG2-CB 4.49Å; I80-I198 HydrophobicContact CG1-CG2 3.79Å; I80-I198 HydrophobicContact CG2-CD1 4.23Å; I80-I384 HydrophobicContact CD1-CG2 4.21Å; I80-V386 HydrophobicContact CD1-CG1 3.46Å; I80-V386 VanDerWaalsContact CD1-CG1 3.46Å
81I98.7Very high97.4Very high46 Ų4655 Ų5524%0.23627%0.271CS..Hα-helixtrans-63.4-39.6-177.8-68166000110.7F77 C83 F84 K85 Y150 I152F77-I81 HydrophobicContact CB-CD1 4.22Å; F77-I81 VanDerWaalsContact O-CB 3.3Å; F77-I81 WeakPolarHBondContact O-CB 3.49Å; F77-I81 WeakPolarHBondContact O-CG1 3.46Å; F77-I81 PolarHBondContact O-N 3.4Å; I81-C83 VanDerWaalsContact C-N 3.31Å; I81-C83 PolarHBondContact O-N 2.97Å; I81-F84 PolarHBondContact O-N 3.41Å; I81-K85 HydrophobicContact CG2-CD 3.95Å; I81-K85 HydrophobicContact CG2-CG 4.23Å; I81-K85 WeakPolarHBondContact O-CB 3.46Å; I81-K85 WeakPolarHBondContact O-CG 3.29Å; I81-K85 PolarHBondContact O-N 2.87Å; I81-Y150 HydrophobicContact CG1-CE2 4.34Å; I81-I152 HydrophobicContact CD1-CD1 3.92Å; I81-I152 HydrophobicContact CG1-CD1 3.45Å; I81-I152 VanDerWaalsContact CG1-CD1 3.45Å
82R98.7Very high97.7Very high131 Ų13155.3 Ų55.349%0.49427%0.27SS..Hα-helixtrans-60.7-40.1175-77.8-169.2-56.2-128.1-8.4112.2D78 I80 R86D78-R82 WeakPolarHBondContact O-CB 3.44Å; D78-R82 VanDerWaalsContact O-CG 3.26Å; D78-R82 WeakPolarHBondContact O-CG 3.29Å; D78-R82 PolarHBondContact O-N 2.94Å; D78-R82 IonicContact OD1-CZ 3.21Å; D78-R82 IonicContact OD1-NH1 2.81Å; D78-R82 IonicContact OD2-CZ 3.18Å; D78-R82 IonicContact OD2-NE 2.79Å; D78-R82 IonicContact OD2-NH1 2.8Å; D78-R82 PolarHBondContact OD2-NH1 3.41Å; D78-R82 IonicContact OD2-NH2 3.64Å; D78-R82 PolarHBondContact OD2-NH2 2.78Å; I80-R82 VanDerWaalsContact C-N 3.34Å; I80-R82 PolarHBondContact O-N 2.81Å; R82-R86 VanDerWaalsContact O-CB 3.28Å; R82-R86 WeakPolarHBondContact O-CB 3.48Å; R82-R86 PolarHBondContact O-N 3.39Å
83C98.8Very high97.9Very high2 Ų261 Ų611%0.01430%0.3CS..Hα-helixtrans-66.2-49.1174.9-179.70000111.1V79 I80 I81 K85 R86 H87 E197 I198V79-C83 PolarHBondContact O-N 3.47Å; I80-C83 WeakPolarHBondContact O-CB 3.38Å; I80-C83 PolarHBondContact O-N 3.18Å; I80-C83 VanDerWaalsContact O-N 3.14Å; I81-C83 VanDerWaalsContact C-N 3.31Å; I81-C83 PolarHBondContact O-N 2.97Å; C83-K85 VanDerWaalsContact C-N 3.31Å; C83-K85 PolarHBondContact O-N 3.47Å; C83-R86 WeakPolarHBondContact O-CB 3.41Å; C83-R86 PolarHBondContact O-N 3.07Å; C83-H87 PolarHBondContact O-CD2 2.91Å; C83-H87 PolarHBondContact O-N 3.25Å; C83-H87 VanDerWaalsContact O-N 3.08Å; C83-E197 PolarHBondContact SG-OE2 3.36Å; C83-E197 VanDerWaalsContact SG-OE2 3.41Å; C83-I198 HydrophobicContact CB-CD1 4.28Å; C83-I198 HydrophobicContact CB-CG1 3.71Å
84F98.8Very high98.1Very high0 Ų061.2 Ų61.20%030%0.302CS..Hα-helixtrans-56.9-43.3177.2-65.3-21.6000112.7I80 I81 H87 G88 A89 Y150 I152 F176 I194 I198 L382I80-F84 HydrophobicContact CG2-CD2 3.75Å; I80-F84 HydrophobicContact CG2-CE1 4.23Å; I80-F84 HydrophobicContact CG2-CE2 3.24Å; I80-F84 HydrophobicContact CG2-CG 4.46Å; I80-F84 HydrophobicContact CG2-CZ 3.53Å; I80-F84 WeakPolarHBondContact O-CG 3.34Å; I80-F84 PolarHBondContact O-N 3.02Å; I81-F84 PolarHBondContact O-N 3.41Å; F84-H87 PolarHBondContact O-N 2.92Å; F84-G88 PolarHBondContact O-N 3.22Å; F84-A89 PolarHBondContact O-N 3.1Å; F84-Y150 HydrophobicContact CB-CD1 3.75Å; F84-Y150 HydrophobicContact CB-CE1 4.32Å; F84-Y150 HydrophobicContact CB-CG 3.87Å; F84-Y150 HydrophobicContact CD2-CD1 4.29Å; F84-Y150 AromaticContact CD2-CD2 3.67Å; F84-Y150 HydrophobicContact CD2-CD2 3.67Å; F84-Y150 AromaticContact CD2-CG 3.53Å; F84-Y150 HydrophobicContact CD2-CG 3.53Å; F84-Y150 HydrophobicContact CE2-CD2 4.33Å; F84-Y150 HydrophobicContact CE2-CG 4.35Å; F84-Y150 HydrophobicContact CG-CD1 4.42Å; F84-Y150 HydrophobicContact CG-CG 4.04Å; F84-I152 HydrophobicContact CE2-CD1 4.39Å; F84-I152 HydrophobicContact CE2-CG1 4.47Å; F84-F176 HydrophobicContact CB-CD2 4.23Å; F84-F176 HydrophobicContact CD1-CB 3.99Å; F84-F176 AromaticContact CD1-CD2 3.52Å; F84-F176 HydrophobicContact CD1-CD2 3.52Å; F84-F176 HydrophobicContact CD1-CE2 4.33Å; F84-F176 HydrophobicContact CD1-CG 4.1Å; F84-F176 HydrophobicContact CE1-CB 3.56Å; F84-F176 HydrophobicContact CE1-CD2 4.02Å; F84-F176 HydrophobicContact CE1-CG 4.12Å; F84-F176 AromaticContact CG-CD2 3.98Å; F84-F176 HydrophobicContact CG-CD2 3.98Å; F84-F176 HydrophobicContact CZ-CB 3.88Å; F84-I194 HydrophobicContact CD1-CG2 3.89Å; F84-I194 HydrophobicContact CE1-CG2 3.73Å; F84-I198 HydrophobicContact CD1-CD1 4.1Å; F84-I198 HydrophobicContact CE1-CD1 3.51Å; F84-I198 HydrophobicContact CZ-CD1 4.09Å; F84-L382 HydrophobicContact CE1-CD1 4.31Å; F84-L382 HydrophobicContact CZ-CD1 4.49Å
85K98.8Very high98.3Very high135 Ų13559 Ų5959%0.58730%0.298SS*.Hα-helixtrans-67.1-36.8175.2-73.8-177.7175.9-178.60113I81 C83 H87 G88 Y150I81-K85 HydrophobicContact CG2-CD 3.95Å; I81-K85 HydrophobicContact CG2-CG 4.23Å; I81-K85 WeakPolarHBondContact O-CB 3.46Å; I81-K85 WeakPolarHBondContact O-CG 3.29Å; I81-K85 PolarHBondContact O-N 2.87Å; C83-K85 VanDerWaalsContact C-N 3.31Å; C83-K85 PolarHBondContact O-N 3.47Å; K85-H87 PolarHBondContact O-N 2.87Å; K85-G88 PolarHBondContact O-N 3.35Å; K85-Y150 HydrophobicContact CG-CE1 4.43Å
86R98.8Very high98.5Very high146 Ų14655.7 Ų55.755%0.55129%0.288SS*.Hα-helixtrans-59.9-34.3174.517516759.7-1311.7111.6R82 C83 G88 E197R82-R86 VanDerWaalsContact O-CB 3.28Å; R82-R86 WeakPolarHBondContact O-CB 3.48Å; R82-R86 PolarHBondContact O-N 3.39Å; C83-R86 WeakPolarHBondContact O-CB 3.41Å; C83-R86 PolarHBondContact O-N 3.07Å; R86-G88 PolarHBondContact O-N 3.22Å; R86-E197 IonicContact CZ-OE2 3Å; R86-E197 VanDerWaalsContact CZ-OE2 3.3Å; R86-E197 IonicContact NE-OE2 3.68Å; R86-E197 PolarHBondContact NE-OE2 3.33Å; R86-E197 VanDerWaalsContact NE-OE2 3.12Å; R86-E197 IonicContact NH2-OE2 3.85Å; R86-E197 PolarHBondContact NH2-OE2 3.29Å
87H98.8Very high98.6Very high32 Ų3259.7 Ų59.715%0.14831%0.305CS..THydrogen-bonded Turntrans-83.28.6173.7-76.9-96.7000114C83 F84 K85 A89 K148 F176 E190 I194 E197C83-H87 PolarHBondContact O-CD2 2.91Å; C83-H87 PolarHBondContact O-N 3.25Å; C83-H87 VanDerWaalsContact O-N 3.08Å; F84-H87 PolarHBondContact O-N 2.92Å; K85-H87 PolarHBondContact O-N 2.87Å; H87-A89 VanDerWaalsContact C-N 3.3Å; H87-A89 PolarHBondContact O-N 2.81Å; H87-K148 WeakPolarHBondContact O-CE 3.47Å; H87-K148 PolarHBondContact O-NZ 3.41Å; H87-F176 HydrophobicContact CB-CE2 4.22Å; H87-F176 HydrophobicContact CB-CZ 4.26Å; H87-E190 IonicContact CE1-OE1 3.52Å; H87-E190 IonicContact CG-OE1 2.72Å; H87-E190 IonicContact ND1-OE1 2.93Å; H87-E190 PolarHBondContact ND1-OE1 2.82Å; H87-I194 HydrophobicContact CB-CD1 3.92Å; H87-I194 HydrophobicContact CB-CG1 4.3Å; H87-E197 IonicContact CD2-OE2 2.81Å; H87-E197 IonicContact NE2-OE1 3.41Å; H87-E197 IonicContact NE2-OE2 3.33Å; H87-E197 PolarHBondContact NE2-OE2 2.91Å
88G98.6Very high98.6Very high53 Ų5359 Ų5955%0.54630%0.303SS..THydrogen-bonded Turntrans68.224.717400000114.5F84 K85 R86F84-G88 PolarHBondContact O-N 3.22Å; K85-G88 PolarHBondContact O-N 3.35Å; R86-G88 PolarHBondContact O-N 3.22Å
89A98.7Very high98.6Very high11 Ų1159 Ų599%0.09130%0.302CS..  trans-76.5137.5176.300000112.5F84 H87 K148 Y150 F176F84-A89 PolarHBondContact O-N 3.1Å; H87-A89 VanDerWaalsContact C-N 3.3Å; H87-A89 PolarHBondContact O-N 2.81Å; A89-K148 WeakPolarHBondContact CA-O 3.47Å; A89-K148 HydrophobicContact CB-CG 4.17Å; A89-Y150 HydrophobicContact CB-CD1 3.97Å; A89-F176 HydrophobicContact CB-CD2 3.86Å; A89-F176 HydrophobicContact CB-CE2 3.34Å; A89-F176 HydrophobicContact CB-CZ 4.21Å
90E98.8Very high98.5Very high122 Ų12261.4 Ų61.457%0.5731%0.311SS*.EExtended strand (participates in β ladder)trans-72.6166.6167.4-62.2-178.8118.400110.5I147 K148 R149 Y150E90-I147 WeakPolarHBondContact OE2-CG1 3.19Å; E90-K148 PolarHBondContact N-O 2.89Å; E90-R149 CarbonylContact O-C 3.51Å; E90-R149 WeakPolarHBondContact O-CA 3.19Å; E90-Y150 VanDerWaalsContact O-CD1 3.23Å; E90-Y150 WeakPolarHBondContact O-CD1 3.35Å; E90-Y150 PolarHBondContact O-N 3.2Å
91V98.8Very high98.3Very high90 Ų9069.6 Ų69.655%0.54535%0.349SS..EExtended strand (participates in β ladder)trans-119.1136.6174.165.40000109.8Y150V91-Y150 HydrophobicContact CB-CD1 4.29Å; V91-Y150 HydrophobicContact CB-CE1 3.72Å; V91-Y150 HydrophobicContact CB-CE2 3.99Å; V91-Y150 HydrophobicContact CG2-CD2 4.1Å; V91-Y150 HydrophobicContact CG2-CE1 4.25Å; V91-Y150 HydrophobicContact CG2-CE2 3.57Å
92I98.8Very high98.1Very high19 Ų1968.3 Ų68.310%0.09734%0.343CS..  trans-124164.7171.765.5173.5000109.6F135 Y138 I147 R149 Y150 H151I92-F135 HydrophobicContact CD1-CD2 3.81Å; I92-F135 HydrophobicContact CD1-CE2 4.37Å; I92-Y138 HydrophobicContact CD1-CD1 4.25Å; I92-Y138 HydrophobicContact CD1-CG 4.33Å; I92-Y138 HydrophobicContact CG2-CE1 4.41Å; I92-I147 HydrophobicContact CG2-CD1 4.45Å; I92-R149 HydrophobicContact CD1-CG 4.23Å; I92-R149 HydrophobicContact CG1-CG 4.49Å; I92-Y150 PolarHBondContact N-O 2.85Å; I92-H151 HydrophobicContact CG1-CB 4.5Å; I92-H151 PolarHBondContact O-CD2 2.93Å; I92-H151 VanDerWaalsContact O-CD2 3.25Å
93D98.8Very high97.8Very high121 Ų12162 Ų6265%0.64732%0.32SS*.  trans-136.3152164.7-167.425000110H151D93-H151 IonicContact OD1-CD2 2.92Å; D93-H151 IonicContact OD1-CE1 3.64Å; D93-H151 IonicContact OD1-NE2 2.8Å; D93-H151 PolarHBondContact OD1-NE2 3.42Å
94T98.7Very high97.2Very high8 Ų866 Ų665%0.04934%0.344CS..  trans-126.9157.3177.370.40000110R128 P134T94-R128 PolarHBondContact O-NH1 2.94Å; T94-R128 PolarHBondContact OG1-NH1 3.43Å; T94-P134 HydrophobicContact CG2-CB 4.06Å
95P98.8Very high96.3Very high78 Ų7869 Ų6951%0.50638%0.375SS..  trans-52.9151.2171.6-26.636.7000112.5F97 R128P95-F97 WeakPolarHBondContact CB-O 3.4Å; P95-F97 PolarHBondContact O-N 3.08Å; P95-R128 PolarHBondContact O-NH1 2.8Å; P95-R128 VanDerWaalsContact O-NH1 3.15Å
96V98.6Very high95.5Very high50 Ų5064.2 Ų64.230%0.30335%0.354SS..SBendtrans-69.8-25.1-179.6720000112.8L127 R128 Y156V96-L127 HydrophobicContact CG1-CD2 4.43Å; V96-L127 HydrophobicContact CG2-CD2 4.39Å; V96-R128 WeakPolarHBondContact O-CG 3.26Å; V96-R128 PolarHBondContact O-N 2.87Å; V96-Y156 HydrophobicContact CG2-CD2 4.26Å; V96-Y156 HydrophobicContact CG2-CE2 3.39Å
97F98.1Very high94.5Very high87 Ų8757.4 Ų57.438%0.38233%0.328SS..EExtended strand (participates in β ladder)trans-116.6146.8172.645.9-104.1000110.3P95 L117 L125 S126 L127P95-F97 WeakPolarHBondContact CB-O 3.4Å; P95-F97 PolarHBondContact O-N 3.08Å; F97-L117 HydrophobicContact CB-CD1 4.42Å; F97-L117 HydrophobicContact CD1-CD2 4.15Å; F97-L117 HydrophobicContact CG-CD2 4.44Å; F97-L125 HydrophobicContact CB-CB 4.43Å; F97-L125 HydrophobicContact CD2-CD1 3.82Å; F97-L125 HydrophobicContact CD2-CD2 4.18Å; F97-L125 HydrophobicContact CD2-CG 4.4Å; F97-L125 HydrophobicContact CE2-CD1 3.93Å; F97-L125 HydrophobicContact CG-CD1 4.37Å; F97-S126 CarbonylContact C-O 3.52Å; F97-S126 WeakPolarHBondContact CA-O 3.37Å; F97-S126 WeakPolarHBondContact CB-O 3.35Å; F97-L127 HydrophobicContact CB-CD2 4.24Å
98E98.4Very high93.5Very high15 Ų1557.2 Ų57.27%0.0734%0.335CS..EExtended strand (participates in β ladder)trans-113.5165.2171.4-67-71.8171.600108.6K100 T102 L103 L125 S126 P134 R137E98-K100 PolarHBondContact O-N 3.29Å; E98-T102 HydrophobicContact CB-CG2 4.31Å; E98-L103 HydrophobicContact CB-CD1 4.38Å; E98-L103 HydrophobicContact CB-CD2 4.16Å; E98-L103 HydrophobicContact CB-CG 4.13Å; E98-L103 HydrophobicContact CG-CD2 4.3Å; E98-L125 WeakPolarHBondContact O-CA 3.3Å; E98-S126 PolarHBondContact N-O 3.34Å; E98-S126 PolarHBondContact O-N 3.04Å; E98-P134 HydrophobicContact CG-CG 4.31Å; E98-R137 IonicContact OE1-NE 2.97Å; E98-R137 VanDerWaalsContact OE2-CD 3.31Å; E98-R137 WeakPolarHBondContact OE2-CD 3.19Å; E98-R137 IonicContact OE2-NE 3.08Å
99L98.1Very high92.2Very high70 Ų7062.6 Ų62.637%0.36635%0.346SS..EExtended strand (participates in β ladder)trans-55.5135.6164.8-66.4173.9000108.9E101 T102 E123 L125L99-E101 PolarHBondContact O-N 3.06Å; L99-E101 VanDerWaalsContact O-N 3.15Å; L99-T102 WeakPolarHBondContact O-CB 3.38Å; L99-T102 PolarHBondContact O-N 3.3Å; L99-T102 PolarHBondContact O-OG1 2.96Å; L99-E123 HydrophobicContact CD2-CB 3.78Å; L99-E123 HydrophobicContact CD2-CG 4.17Å; L99-L125 HydrophobicContact CD2-CD2 3.93Å
100K96.3Very high91.1Very high74 Ų7465.1 Ų65.132%0.32236%0.358SS..Hα-helixtrans-55.2-37.1-177.2176.4166.5176.9165.90112.5E98 T102 L103 T104 D116 L124 S126E98-K100 PolarHBondContact O-N 3.29Å; K100-T102 VanDerWaalsContact C-N 3.28Å; K100-T102 PolarHBondContact O-N 2.87Å; K100-L103 PolarHBondContact O-N 3.34Å; K100-T104 PolarHBondContact O-N 3.39Å; K100-T104 PolarHBondContact O-OG1 3.36Å; K100-D116 IonicContact NZ-OD1 2.72Å; K100-D116 IonicContact NZ-OD2 3.86Å; K100-D116 PolarHBondContact NZ-OD2 2.68Å; K100-L124 HydrophobicContact CB-CB 4.09Å; K100-L124 WeakPolarHBondContact CB-O 3.36Å; K100-L124 HydrophobicContact CD-CB 4.43Å; K100-L124 PolarHBondContact N-O 2.66Å; K100-S126 WeakPolarHBondContact CB-OG 3.28Å; K100-S126 WeakPolarHBondContact CG-OG 3.48Å
101E94.4Very high90.1Very high171 Ų17160.9 Ų60.980%0.79934%0.342SS*.Hα-helixtrans-64.1-31.4177.7-64.3-178.8177.700112.7L99 L103 T104L99-E101 PolarHBondContact O-N 3.06Å; L99-E101 VanDerWaalsContact O-N 3.15Å; E101-L103 VanDerWaalsContact C-N 3.26Å; E101-L103 PolarHBondContact O-N 3.44Å; E101-T104 PolarHBondContact O-N 2.92Å
102T94Very high89.4Confident19 Ų1965 Ų6512%0.11735%0.352CS..Hα-helixtrans-60.1-37.4175.9-580000111.7E98 L99 K100 V133 R137 F370E98-T102 HydrophobicContact CB-CG2 4.31Å; L99-T102 WeakPolarHBondContact O-CB 3.38Å; L99-T102 PolarHBondContact O-N 3.3Å; L99-T102 PolarHBondContact O-OG1 2.96Å; K100-T102 VanDerWaalsContact C-N 3.28Å; K100-T102 PolarHBondContact O-N 2.87Å; T102-V133 HydrophobicContact CG2-CG1 4.43Å; T102-R137 HydrophobicContact CG2-CB 4.09Å; T102-R137 HydrophobicContact CG2-CG 4.03Å; T102-F370 HydrophobicContact CG2-CE1 3.68Å; T102-F370 HydrophobicContact CG2-CZ 4.12Å; T102-F370 WeakPolarHBondContact O-CZ 3.1Å
103L91.7Very high88.9Confident0 Ų066.3 Ų66.30%036%0.359CS..Hα-helixtrans-92.3-14.2-175.4-57-173000113.3E98 K100 E101 Y107 I114 L127 V133E98-L103 HydrophobicContact CB-CD1 4.38Å; E98-L103 HydrophobicContact CB-CD2 4.16Å; E98-L103 HydrophobicContact CB-CG 4.13Å; E98-L103 HydrophobicContact CG-CD2 4.3Å; K100-L103 PolarHBondContact O-N 3.34Å; E101-L103 VanDerWaalsContact C-N 3.26Å; E101-L103 PolarHBondContact O-N 3.44Å; L103-Y107 HydrophobicContact CB-CE2 4.12Å; L103-Y107 HydrophobicContact CD2-CE2 4.31Å; L103-Y107 WeakPolarHBondContact O-CD2 3.48Å; L103-I114 HydrophobicContact CB-CD1 4.02Å; L103-I114 HydrophobicContact CD1-CG2 4.35Å; L103-L127 WeakPolarHBondContact CD1-O 3.3Å; L103-V133 HydrophobicContact CD2-CB 4.45Å; L103-V133 HydrophobicContact CD2-CG1 3.87Å
104T87.1Confident88.7Confident85 Ų8561.2 Ų61.252%0.52133%0.332SS..THydrogen-bonded Turntrans-74131.9-174-61.80000111.2K100 E101 K106K100-T104 PolarHBondContact O-N 3.39Å; K100-T104 PolarHBondContact O-OG1 3.36Å; E101-T104 PolarHBondContact O-N 2.92Å; T104-K106 VanDerWaalsContact C-N 3.31Å; T104-K106 PolarHBondContact O-N 3.12Å
105G79.8Confident88.5Confident63 Ų6363.7 Ų63.765%0.64934%0.341SS*.THydrogen-bonded Turntrans75.711.1174.900000115.5
106K81.9Confident88.5Confident34 Ų3463.9 Ų63.915%0.14834%0.337CS..SBendtrans-96.2-21.8-180-53.8-52.6-178.6-170.70114.2T104 V133 L366 M369 F370T104-K106 VanDerWaalsContact C-N 3.31Å; T104-K106 PolarHBondContact O-N 3.12Å; K106-V133 HydrophobicContact CB-CG2 4.05Å; K106-V133 HydrophobicContact CG-CG1 4.31Å; K106-V133 HydrophobicContact CG-CG2 4.48Å; K106-L366 HydrophobicContact CD-CD1 4.48Å; K106-M369 HydrophobicContact CD-SD 3.96Å; K106-M369 VanDerWaalsContact NZ-CB 3.29Å; K106-M369 PolarHBondContact NZ-SD 3.24Å; K106-F370 HydrophobicContact CD-CZ 4.35Å; K106-F370 HydrophobicContact CG-CZ 4.42Å
107Y77.1Confident88.4Confident4 Ų464.7 Ų64.72%0.01634%0.34CS..SBendtrans-116.214.4-168.7-52.6-71.5000113.8L103 E109 D110 I114 Y129 D130 V133 L328L103-Y107 HydrophobicContact CB-CE2 4.12Å; L103-Y107 HydrophobicContact CD2-CE2 4.31Å; L103-Y107 WeakPolarHBondContact O-CD2 3.48Å; Y107-E109 PolarHBondContact O-N 3.14Å; Y107-D110 WeakPolarHBondContact O-CB 3.41Å; Y107-D110 PolarHBondContact O-N 3.46Å; Y107-D110 VanDerWaalsContact O-N 3.1Å; Y107-I114 HydrophobicContact CD2-CD1 3.98Å; Y107-I114 HydrophobicContact CE2-CD1 4.14Å; Y107-Y129 AromaticContact CD1-CD1 3.97Å; Y107-Y129 HydrophobicContact CD1-CD1 3.97Å; Y107-Y129 HydrophobicContact CD1-CE1 4.47Å; Y107-Y129 AromaticContact CE1-CD1 3.91Å; Y107-Y129 HydrophobicContact CE1-CD1 3.91Å; Y107-Y129 HydrophobicContact CG-CD1 4.35Å; Y107-D130 WeakPolarHBondContact CE1-OD2 3.33Å; Y107-D130 PolarHBondContact OH-OD1 3.41Å; Y107-V133 HydrophobicContact CE1-CB 4.43Å; Y107-V133 HydrophobicContact CE1-CG2 3.51Å; Y107-V133 HydrophobicContact CE2-CG2 4.34Å; Y107-V133 VanDerWaalsContact CZ-CG2 3.43Å; Y107-V133 VanDerWaalsContact OH-CB 3.24Å; Y107-V133 WeakPolarHBondContact OH-CB 3.3Å; Y107-V133 VanDerWaalsContact OH-CG2 3.24Å; Y107-V133 WeakPolarHBondContact OH-CG2 3.43Å; Y107-L328 HydrophobicContact CD1-CD2 4.2Å
108G77.2Confident88.3Confident28 Ų2868.9 Ų68.929%0.28936%0.358SS..G310 helixtrans55.6-130.7-177.400000112.5D110 S111 D329G108-D110 VanDerWaalsContact C-N 3.25Å; G108-D110 PolarHBondContact O-N 3.33Å; G108-S111 WeakPolarHBondContact O-CB 3.37Å; G108-S111 PolarHBondContact O-N 2.95Å; G108-S111 PolarHBondContact O-OG 2.95Å; G108-D329 WeakPolarHBondContact CA-OD2 3.46Å
109E72.6Confident88.2Confident165 Ų16573 Ų7377%0.77138%0.38SS*.G310 helixtrans-63.6-27.8179.7-63-166.9166.900113.6Y107 S111 K112Y107-E109 PolarHBondContact O-N 3.14Å; E109-S111 PolarHBondContact O-N 3.06Å; E109-K112 PolarHBondContact O-N 3.27Å
110D76Confident88.1Confident64 Ų6478.1 Ų78.134%0.34240%0.402SS..G310 helixtrans-69.3-14-179-73.7-37.2000113.2Y107 G108 K112 L113 Y129Y107-D110 WeakPolarHBondContact O-CB 3.41Å; Y107-D110 PolarHBondContact O-N 3.46Å; Y107-D110 VanDerWaalsContact O-N 3.1Å; G108-D110 VanDerWaalsContact C-N 3.25Å; G108-D110 PolarHBondContact O-N 3.33Å; D110-K112 PolarHBondContact O-N 3.26Å; D110-L113 WeakPolarHBondContact O-CB 3.46Å; D110-L113 PolarHBondContact O-N 3.38Å; D110-Y129 HydrophobicContact CB-CE2 4.4Å
111S77.6Confident88Confident34 Ų3478.3 Ų78.324%0.23843%0.425CS..G310 helixtrans-56.1-26.1176.3-51.50000112.8G108 E109 L113 I114G108-S111 WeakPolarHBondContact O-CB 3.37Å; G108-S111 PolarHBondContact O-N 2.95Å; G108-S111 PolarHBondContact O-OG 2.95Å; E109-S111 PolarHBondContact O-N 3.06Å; S111-L113 PolarHBondContact O-N 2.92Å; S111-I114 WeakPolarHBondContact O-CG1 3.47Å; S111-I114 PolarHBondContact O-N 3.47Å
112K83.3Confident88Confident177 Ų17773 Ų7377%0.7742%0.417SS*.G310 helixtrans-68.4-14.5177-65175.4-176.1168.40113.4E109 D110E109-K112 PolarHBondContact O-N 3.27Å; D110-K112 PolarHBondContact O-N 3.26Å
113L88.3Confident88.2Confident45 Ų4579 Ų7924%0.23644%0.443CS..G310 helixtrans-96.18.6-175.5-55.8178.3000112.8D110 S111 Y129 R158D110-L113 WeakPolarHBondContact O-CB 3.46Å; D110-L113 PolarHBondContact O-N 3.38Å; S111-L113 PolarHBondContact O-N 2.92Å; L113-Y129 HydrophobicContact CB-CE2 4.03Å; L113-R158 HydrophobicContact CB-CB 4.48Å; L113-R158 VanDerWaalsContact O-CB 3.22Å; L113-R158 WeakPolarHBondContact O-CB 3.43Å; L113-R158 WeakPolarHBondContact O-CG 3.36Å; L113-R158 PolarHBondContact O-N 3.37Å
114I93.8Very high88.5Confident15 Ų1583.5 Ų83.58%0.07747%0.467CS..  trans-78143.8179.9-63.3173.8000111L103 Y107 S111 Y129 R158L103-I114 HydrophobicContact CB-CD1 4.02Å; L103-I114 HydrophobicContact CD1-CG2 4.35Å; Y107-I114 HydrophobicContact CD2-CD1 3.98Å; Y107-I114 HydrophobicContact CE2-CD1 4.14Å; S111-I114 WeakPolarHBondContact O-CG1 3.47Å; S111-I114 PolarHBondContact O-N 3.47Å; I114-Y129 HydrophobicContact CG1-CD2 4.13Å; I114-R158 WeakPolarHBondContact O-CD 3Å
115Y96.4Very high89Confident59 Ų5981.3 Ų81.323%0.23145%0.452CS..  trans-87.3114.1171-81.4-85.7000110.4S126 L127 R158 R169Y115-S126 CarbonylContact O-C 3.54Å; Y115-S126 VanDerWaalsContact O-CA 3.28Å; Y115-S126 WeakPolarHBondContact O-CA 3.39Å; Y115-L127 HydrophobicContact CG-CD1 4.21Å; Y115-L127 PolarHBondContact O-N 2.72Å; Y115-R158 HydrophobicContact CD1-CG 3.73Å; Y115-R158 HydrophobicContact CD2-CG 3.36Å; Y115-R158 HydrophobicContact CE1-CG 3.67Å; Y115-R158 HydrophobicContact CE2-CB 4.17Å; Y115-R158 HydrophobicContact CE2-CG 3.27Å; Y115-R158 HydrophobicContact CG-CG 3.59Å; Y115-R158 VanDerWaalsContact CZ-CG 3.44Å; Y115-R169 HydrophobicContact CE2-CB 4.46Å; Y115-R169 WeakPolarHBondContact OH-CD 3.37Å
116D96.9Very high89.9Confident82 Ų8278.3 Ų78.344%0.43942%0.421SS..BIsolated β-bridgetrans-90141.9172.7-69.6-17.6000111K100 S126K100-D116 IonicContact NZ-OD1 2.72Å; K100-D116 IonicContact NZ-OD2 3.86Å; K100-D116 PolarHBondContact NZ-OD2 2.68Å; D116-S126 PolarHBondContact OD1-OG 3.39Å
117L97.3Very high90.7Very high67 Ų6778.3 Ų78.335%0.35142%0.422SS..PPolyproline II helixtrans-80.6154.9170.7-8067.7000109.7F97 L125 L127F97-L117 HydrophobicContact CB-CD1 4.42Å; F97-L117 HydrophobicContact CD1-CD2 4.15Å; F97-L117 HydrophobicContact CG-CD2 4.44Å; L117-L125 HydrophobicContact CB-CB 4.19Å; L117-L125 HydrophobicContact CD1-CB 4.37Å; L117-L125 HydrophobicContact CD2-CB 4.02Å; L117-L125 HydrophobicContact CD2-CD1 4.18Å; L117-L125 HydrophobicContact CG-CB 4.41Å; L117-L125 PolarHBondContact N-O 3.01Å; L117-L127 HydrophobicContact CD1-CD2 3.99Å; L117-L127 HydrophobicContact CD1-CG 4.03Å
118K96.6Very high91.6Very high176 Ų17678.9 Ų78.977%0.76543%0.425SS*.PPolyproline II helixtrans-66.9136.8176.4-172.3-175174.9-174.90109.4Q120K118-Q120 PolarHBondContact O-N 2.67Å
119D96Very high92.4Very high101 Ų10177.9 Ų77.954%0.5441%0.412SS..PPolyproline II helixtrans-64.9123.5168.1-175.6-1.1000110.1G121 L124D119-G121 PolarHBondContact OD1-N 3.15Å; D119-L124 HydrophobicContact CB-CD2 4.12Å
120Q96.1Very high93.5Very high177 Ų17770.1 Ų70.183%0.82738%0.376SS*.  trans-124.222.6179.2-65-174.4-120.300112K118K118-Q120 PolarHBondContact O-N 2.67Å
121G93.2Very high94.6Very high78 Ų7867 Ų6780%0.80436%0.359SS*.SBendtrans90.220.4177.800000114.6D119D119-G121 PolarHBondContact OD1-N 3.15Å
122G95.3Very high95.5Very high60 Ų6065.9 Ų65.962%0.61935%0.351SS*.SBendtrans-134.2-151.4-178.400000112.3
123E97.7Very high96.1Very high145 Ų14557.5 Ų57.568%0.67831%0.314SS*.  trans-65.9143.3177.8-61.9174.612800111.5L99 L125L99-E123 HydrophobicContact CD2-CB 3.78Å; L99-E123 HydrophobicContact CD2-CG 4.17Å; E123-L125 HydrophobicContact CB-CD2 4.4Å
124L97.8Very high96.6Very high94 Ų9455.3 Ų55.349%0.49230%0.303SS..  trans-79.7123.2174-62.9-180000109.7K100 D119K100-L124 HydrophobicContact CB-CB 4.09Å; K100-L124 WeakPolarHBondContact CB-O 3.36Å; K100-L124 HydrophobicContact CD-CB 4.43Å; K100-L124 PolarHBondContact N-O 2.66Å; D119-L124 HydrophobicContact CB-CD2 4.12Å
125L98.3Very high96.8Very high39 Ų3954.7 Ų54.720%0.20430%0.3CS..EExtended strand (participates in β ladder)trans-120.3149.4-173.1-59174.8000111.4F97 E98 L99 L117 E123F97-L125 HydrophobicContact CB-CB 4.43Å; F97-L125 HydrophobicContact CD2-CD1 3.82Å; F97-L125 HydrophobicContact CD2-CD2 4.18Å; F97-L125 HydrophobicContact CD2-CG 4.4Å; F97-L125 HydrophobicContact CE2-CD1 3.93Å; F97-L125 HydrophobicContact CG-CD1 4.37Å; E98-L125 WeakPolarHBondContact O-CA 3.3Å; L99-L125 HydrophobicContact CD2-CD2 3.93Å; L117-L125 HydrophobicContact CB-CB 4.19Å; L117-L125 HydrophobicContact CD1-CB 4.37Å; L117-L125 HydrophobicContact CD2-CB 4.02Å; L117-L125 HydrophobicContact CD2-CD1 4.18Å; L117-L125 HydrophobicContact CG-CB 4.41Å; L117-L125 PolarHBondContact N-O 3.01Å; E123-L125 HydrophobicContact CB-CD2 4.4Å
126S98.1Very high96.9Very high1 Ų151.9 Ų51.91%0.00729%0.289CS..EExtended strand (participates in β ladder)trans-137.8141.7175.9-59.70000110.1F97 E98 K100 Y115 D116F97-S126 CarbonylContact C-O 3.52Å; F97-S126 WeakPolarHBondContact CA-O 3.37Å; F97-S126 WeakPolarHBondContact CB-O 3.35Å; E98-S126 PolarHBondContact N-O 3.34Å; E98-S126 PolarHBondContact O-N 3.04Å; K100-S126 WeakPolarHBondContact CB-OG 3.28Å; K100-S126 WeakPolarHBondContact CG-OG 3.48Å; Y115-S126 CarbonylContact O-C 3.54Å; Y115-S126 VanDerWaalsContact O-CA 3.28Å; Y115-S126 WeakPolarHBondContact O-CA 3.39Å; D116-S126 PolarHBondContact OD1-OG 3.39Å
127L98.3Very high97Very high34 Ų3449.7 Ų49.718%0.17827%0.274CS..EExtended strand (participates in β ladder)trans-66.9141.5174.4-60.4178.7000110V96 F97 L103 Y115 L117 Y129 Y156V96-L127 HydrophobicContact CG1-CD2 4.43Å; V96-L127 HydrophobicContact CG2-CD2 4.39Å; F97-L127 HydrophobicContact CB-CD2 4.24Å; L103-L127 WeakPolarHBondContact CD1-O 3.3Å; Y115-L127 HydrophobicContact CG-CD1 4.21Å; Y115-L127 PolarHBondContact O-N 2.72Å; L117-L127 HydrophobicContact CD1-CD2 3.99Å; L117-L127 HydrophobicContact CD1-CG 4.03Å; L127-Y129 PolarHBondContact O-N 3.06Å; L127-Y156 HydrophobicContact CB-CD2 3.95Å; L127-Y156 HydrophobicContact CB-CG 3.98Å; L127-Y156 HydrophobicContact CD1-CD1 3.81Å; L127-Y156 HydrophobicContact CD1-CD2 4.18Å; L127-Y156 HydrophobicContact CD1-CE1 4.38Å; L127-Y156 HydrophobicContact CD1-CG 3.69Å; L127-Y156 HydrophobicContact CG-CG 4.4Å
128R97.4Very high97Very high16 Ų1649.3 Ų49.36%0.0627%0.269CS..  trans-60.7128.717967.2-170.6173.9-154.8-6.7111.9T94 P95 V96 P134 K154 V155 Y156T94-R128 PolarHBondContact O-NH1 2.94Å; T94-R128 PolarHBondContact OG1-NH1 3.43Å; P95-R128 PolarHBondContact O-NH1 2.8Å; P95-R128 VanDerWaalsContact O-NH1 3.15Å; V96-R128 WeakPolarHBondContact O-CG 3.26Å; V96-R128 PolarHBondContact O-N 2.87Å; R128-P134 HydrophobicContact CB-CG 4.09Å; R128-K154 PolarHBondContact NE-O 3.48Å; R128-K154 PolarHBondContact NH2-O 2.89Å; R128-V155 HydrophobicContact CG-CG1 4.49Å; R128-Y156 PolarHBondContact O-N 2.99Å
129Y94.1Very high97.1Very high6 Ų640.9 Ų40.92%0.02423%0.232CC..SBendtrans-80.8-31.3178.1-176.1-87.7000112.2Y107 D110 L113 I114 L127 R157Y107-Y129 AromaticContact CD1-CD1 3.97Å; Y107-Y129 HydrophobicContact CD1-CD1 3.97Å; Y107-Y129 HydrophobicContact CD1-CE1 4.47Å; Y107-Y129 AromaticContact CE1-CD1 3.91Å; Y107-Y129 HydrophobicContact CE1-CD1 3.91Å; Y107-Y129 HydrophobicContact CG-CD1 4.35Å; D110-Y129 HydrophobicContact CB-CE2 4.4Å; L113-Y129 HydrophobicContact CB-CE2 4.03Å; I114-Y129 HydrophobicContact CG1-CD2 4.13Å; L127-Y129 PolarHBondContact O-N 3.06Å; Y129-R157 HydrophobicContact CD2-CB 4.34Å; Y129-R157 HydrophobicContact CD2-CG 3.72Å; Y129-R157 HydrophobicContact CE1-CG 4.42Å; Y129-R157 HydrophobicContact CE2-CB 3.96Å; Y129-R157 HydrophobicContact CE2-CG 3.55Å; Y129-R157 HydrophobicContact CG-CG 4.24Å; Y129-R157 VanDerWaalsContact CZ-CD 3.42Å; Y129-R157 PolarHBondContact O-NE 3.36Å; Y129-R157 PolarHBondContact O-NH2 3.08Å
130D95.3Very high97.2Very high2 Ų236.6 Ų36.61%0.01121%0.21CC..  trans-145.3-173.6176.472.1-4000111.4Y107 V133 P134 Q173Y107-D130 WeakPolarHBondContact CE1-OD2 3.33Å; Y107-D130 PolarHBondContact OH-OD1 3.41Å; D130-V133 PolarHBondContact OD1-N 3.45Å; D130-V133 VanDerWaalsContact OD1-N 3.14Å; D130-P134 WeakPolarHBondContact O-CG 3.47Å; D130-Q173 VanDerWaalsContact CA-OE1 3.24Å
131L98.1Very high97.3Very high0 Ų034.1 Ų34.10%020%0.2CC..SBendtrans-104.7-13.4172.9-49.1177.9000112.9F135 H151 A153 V155 Q173 D175L131-F135 WeakPolarHBondContact O-CB 3.21Å; L131-F135 PolarHBondContact O-N 3.27Å; L131-F135 VanDerWaalsContact O-N 3.15Å; L131-H151 HydrophobicContact CD1-CB 4.23Å; L131-H151 WeakPolarHBondContact CD1-O 3.34Å; L131-A153 HydrophobicContact CD1-CB 3.99Å; L131-A153 HydrophobicContact CD2-CB 3.69Å; L131-V155 HydrophobicContact CD2-CG1 3.61Å; L131-V155 HydrophobicContact CG-CG1 3.91Å; L131-Q173 HydrophobicContact CD1-CB 3.87Å; L131-Q173 HydrophobicContact CG-CB 4.2Å; L131-D175 HydrophobicContact CB-CB 4.35Å; L131-D175 WeakPolarHBondContact CB-OD2 3.45Å; L131-D175 HydrophobicContact CD1-CB 4.24Å
132T96.9Very high97.6Very high10 Ų1033.8 Ų33.86%0.06118%0.18CC..Hα-helixtrans-72.5-43.8-177.4-540000112.4F135 A136 Y330 Y363 L366T132-F135 WeakPolarHBondContact O-CB 3.4Å; T132-F135 PolarHBondContact O-N 2.94Å; T132-A136 PolarHBondContact O-N 3.37Å; T132-Y330 HydrophobicContact CG2-CE2 4.28Å; T132-Y363 HydrophobicContact CG2-CD2 4.15Å; T132-Y363 HydrophobicContact CG2-CE1 4.05Å; T132-Y363 HydrophobicContact CG2-CE2 3.59Å; T132-L366 HydrophobicContact CG2-CD2 3.77Å
133V96.4Very high97.7Very high0 Ų038.5 Ų38.50%018%0.184CC..Hα-helixtrans-67.1-45.4176.91750000112.4T102 L103 K106 Y107 D130 F135 A136 R137 L366 F370T102-V133 HydrophobicContact CG2-CG1 4.43Å; L103-V133 HydrophobicContact CD2-CB 4.45Å; L103-V133 HydrophobicContact CD2-CG1 3.87Å; K106-V133 HydrophobicContact CB-CG2 4.05Å; K106-V133 HydrophobicContact CG-CG1 4.31Å; K106-V133 HydrophobicContact CG-CG2 4.48Å; Y107-V133 HydrophobicContact CE1-CB 4.43Å; Y107-V133 HydrophobicContact CE1-CG2 3.51Å; Y107-V133 HydrophobicContact CE2-CG2 4.34Å; Y107-V133 VanDerWaalsContact CZ-CG2 3.43Å; Y107-V133 VanDerWaalsContact OH-CB 3.24Å; Y107-V133 WeakPolarHBondContact OH-CB 3.3Å; Y107-V133 VanDerWaalsContact OH-CG2 3.24Å; Y107-V133 WeakPolarHBondContact OH-CG2 3.43Å; D130-V133 PolarHBondContact OD1-N 3.45Å; D130-V133 VanDerWaalsContact OD1-N 3.14Å; V133-F135 PolarHBondContact O-N 2.93Å; V133-A136 PolarHBondContact O-N 3.48Å; V133-R137 PolarHBondContact O-N 3.22Å; V133-L366 HydrophobicContact CG2-CD2 4.38Å; V133-F370 HydrophobicContact CG1-CE2 4.16Å; V133-F370 HydrophobicContact CG1-CZ 3.67Å
134P98.4Very high97.7Very high0 Ų034.2 Ų34.20%017%0.165CC..Hα-helixtrans-53.2-36.8169.7-29.636.1000113.6T94 E98 R128 D130 Y138T94-P134 HydrophobicContact CG2-CB 4.06Å; E98-P134 HydrophobicContact CG-CG 4.31Å; R128-P134 HydrophobicContact CB-CG 4.09Å; D130-P134 WeakPolarHBondContact O-CG 3.47Å; P134-Y138 WeakPolarHBondContact O-CB 3.38Å; P134-Y138 PolarHBondContact O-N 2.78Å
135F98.6Very high97.7Very high1 Ų132.7 Ų32.70%0.00416%0.16CC..Hα-helixtrans-69.8-43.9176.5175.3-126000113I92 L131 T132 V133 R137 Y138 L139 I147 R149 D177 A179I92-F135 HydrophobicContact CD1-CD2 3.81Å; I92-F135 HydrophobicContact CD1-CE2 4.37Å; L131-F135 WeakPolarHBondContact O-CB 3.21Å; L131-F135 PolarHBondContact O-N 3.27Å; L131-F135 VanDerWaalsContact O-N 3.15Å; T132-F135 WeakPolarHBondContact O-CB 3.4Å; T132-F135 PolarHBondContact O-N 2.94Å; V133-F135 PolarHBondContact O-N 2.93Å; F135-R137 VanDerWaalsContact C-N 3.29Å; F135-R137 PolarHBondContact O-N 3.41Å; F135-Y138 WeakPolarHBondContact O-CA 2.94Å; F135-Y138 WeakPolarHBondContact O-CB 3.19Å; F135-Y138 PolarHBondContact O-N 3.23Å; F135-L139 HydrophobicContact CD1-CD1 4.26Å; F135-L139 HydrophobicContact CD2-CG 4.23Å; F135-L139 HydrophobicContact CE1-CD1 3.8Å; F135-L139 HydrophobicContact CE1-CG 4.46Å; F135-L139 HydrophobicContact CE2-CD1 4.05Å; F135-L139 HydrophobicContact CE2-CD2 3.92Å; F135-L139 HydrophobicContact CE2-CG 3.82Å; F135-L139 HydrophobicContact CZ-CD1 3.69Å; F135-L139 HydrophobicContact CZ-CD2 4.05Å; F135-L139 HydrophobicContact CZ-CG 3.97Å; F135-L139 WeakPolarHBondContact O-CG 3.47Å; F135-L139 PolarHBondContact O-N 3.15Å; F135-I147 HydrophobicContact CE2-CG2 3.65Å; F135-I147 HydrophobicContact CZ-CG2 3.58Å; F135-R149 HydrophobicContact CD2-CG 4.04Å; F135-R149 VanDerWaalsContact CD2-NE 3.28Å; F135-R149 HydrophobicContact CE2-CG 3.49Å; F135-R149 VanDerWaalsContact CE2-CG 3.49Å; F135-R149 VanDerWaalsContact CG-NE 3.33Å; F135-R149 HydrophobicContact CZ-CG 3.78Å; F135-D177 HydrophobicContact CD1-CB 4.11Å; F135-D177 HydrophobicContact CE1-CB 3.62Å; F135-D177 HydrophobicContact CZ-CB 4.28Å; F135-A179 HydrophobicContact CE1-CB 4.27Å; F135-A179 HydrophobicContact CZ-CB 4Å
136A98Very high97.7Very high0 Ų035.7 Ų35.70%018%0.176CC..Hα-helixtrans-59.6-41.4174.800000111.9T132 V133 L139 A140 L366 V367 F370T132-A136 PolarHBondContact O-N 3.37Å; V133-A136 PolarHBondContact O-N 3.48Å; A136-L139 PolarHBondContact O-N 3.47Å; A136-A140 PolarHBondContact O-N 2.83Å; A136-A140 VanDerWaalsContact O-N 3.1Å; A136-L366 HydrophobicContact CB-CB 4.45Å; A136-L366 HydrophobicContact CB-CD2 3.86Å; A136-L366 HydrophobicContact CB-CG 3.69Å; A136-V367 HydrophobicContact CB-CG2 4.15Å; A136-F370 HydrophobicContact CB-CD2 3.83Å; A136-F370 HydrophobicContact CB-CE2 3.88Å
137R98.3Very high97.8Very high36 Ų3636.5 Ų36.514%0.13618%0.18CC..Hα-helixtrans-62.3-41.6171.6-178.2-128.152.674.3-4.7111.5E98 T102 V133 F135 A140 M141 F370E98-R137 IonicContact OE1-NE 2.97Å; E98-R137 VanDerWaalsContact OE2-CD 3.31Å; E98-R137 WeakPolarHBondContact OE2-CD 3.19Å; E98-R137 IonicContact OE2-NE 3.08Å; T102-R137 HydrophobicContact CG2-CB 4.09Å; T102-R137 HydrophobicContact CG2-CG 4.03Å; V133-R137 PolarHBondContact O-N 3.22Å; F135-R137 VanDerWaalsContact C-N 3.29Å; F135-R137 PolarHBondContact O-N 3.41Å; R137-A140 PolarHBondContact O-N 3.35Å; R137-M141 VanDerWaalsContact NH1-CB 3.25Å; R137-M141 PolarHBondContact NH1-SD 3.07Å; R137-M141 VanDerWaalsContact O-CB 3.26Å; R137-M141 WeakPolarHBondContact O-CB 3.38Å; R137-M141 PolarHBondContact O-N 2.82Å; R137-F370 HydrophobicContact CB-CD1 4.28Å; R137-F370 HydrophobicContact CB-CE1 4.36Å
138Y98.8Very high97.8Very high59 Ų5937.7 Ų37.723%0.23118%0.184CC..Hα-helixtrans-59.1-46.7176.6179.2-89.2000112.4I92 P134 F135 N142 L144 I147I92-Y138 HydrophobicContact CD1-CD1 4.25Å; I92-Y138 HydrophobicContact CD1-CG 4.33Å; I92-Y138 HydrophobicContact CG2-CE1 4.41Å; P134-Y138 WeakPolarHBondContact O-CB 3.38Å; P134-Y138 PolarHBondContact O-N 2.78Å; F135-Y138 WeakPolarHBondContact O-CA 2.94Å; F135-Y138 WeakPolarHBondContact O-CB 3.19Å; F135-Y138 PolarHBondContact O-N 3.23Å; Y138-N142 WeakPolarHBondContact CD2-ND2 3.23Å; Y138-N142 WeakPolarHBondContact CE2-ND2 3.43Å; Y138-N142 WeakPolarHBondContact O-CB 3.45Å; Y138-N142 PolarHBondContact O-N 3.44Å; Y138-N142 VanDerWaalsContact O-N 3.11Å; Y138-N142 PolarHBondContact O-ND2 3.3Å; Y138-L144 HydrophobicContact CD1-CD1 4.28Å; Y138-L144 HydrophobicContact CE1-CD1 3.62Å; Y138-I147 HydrophobicContact CE1-CD1 4.33Å
139L98.6Very high97.9Very high0 Ų037 Ų370%018%0.181CC..Hα-helixtrans-59.1-52.1176.7-71.4173.8000111.6F135 A136 N142 K143 L144 I147 A179 V367F135-L139 HydrophobicContact CD1-CD1 4.26Å; F135-L139 HydrophobicContact CD2-CG 4.23Å; F135-L139 HydrophobicContact CE1-CD1 3.8Å; F135-L139 HydrophobicContact CE1-CG 4.46Å; F135-L139 HydrophobicContact CE2-CD1 4.05Å; F135-L139 HydrophobicContact CE2-CD2 3.92Å; F135-L139 HydrophobicContact CE2-CG 3.82Å; F135-L139 HydrophobicContact CZ-CD1 3.69Å; F135-L139 HydrophobicContact CZ-CD2 4.05Å; F135-L139 HydrophobicContact CZ-CG 3.97Å; F135-L139 WeakPolarHBondContact O-CG 3.47Å; F135-L139 PolarHBondContact O-N 3.15Å; A136-L139 PolarHBondContact O-N 3.47Å; L139-N142 PolarHBondContact O-N 3.25Å; L139-K143 WeakPolarHBondContact O-CA 3.14Å; L139-K143 PolarHBondContact O-N 2.87Å; L139-L144 HydrophobicContact CD2-CB 3.87Å; L139-L144 HydrophobicContact CD2-CD1 4.44Å; L139-L144 PolarHBondContact O-N 3.19Å; L139-I147 HydrophobicContact CD2-CG2 3.41Å; L139-I147 VanDerWaalsContact CD2-CG2 3.41Å; L139-A179 HydrophobicContact CD1-CB 3.8Å; L139-A179 HydrophobicContact CD2-CB 4.31Å; L139-V367 HydrophobicContact CB-CG1 3.94Å; L139-V367 HydrophobicContact CB-CG2 4.47Å; L139-V367 HydrophobicContact CD1-CG1 4.45Å; L139-V367 HydrophobicContact CD1-CG2 3.58Å
140A98.2Very high98.1Very high10 Ų1037.6 Ų37.68%0.08318%0.184CC..Hα-helixtrans-62.8-46.4-177.800000112.1A136 R137 N142 K143 V367 F370A136-A140 PolarHBondContact O-N 2.83Å; A136-A140 VanDerWaalsContact O-N 3.1Å; R137-A140 PolarHBondContact O-N 3.35Å; A140-N142 VanDerWaalsContact C-N 3.35Å; A140-N142 PolarHBondContact O-N 3.47Å; A140-K143 PolarHBondContact O-N 2.97Å; A140-K143 VanDerWaalsContact O-N 3.12Å; A140-V367 HydrophobicContact CB-CG1 4.48Å; A140-F370 HydrophobicContact CB-CB 3.5Å
141M98.3Very high98.3Very high125 Ų12537.7 Ų37.762%0.61618%0.184SC*.Hα-helixtrans-62.6-40.9-179.1-172.1-177.580.900112.3R137 K143R137-M141 VanDerWaalsContact NH1-CB 3.25Å; R137-M141 PolarHBondContact NH1-SD 3.07Å; R137-M141 VanDerWaalsContact O-CB 3.26Å; R137-M141 WeakPolarHBondContact O-CB 3.38Å; R137-M141 PolarHBondContact O-N 2.82Å; M141-K143 VanDerWaalsContact C-N 3.3Å
142N98.4Very high98.3Very high72 Ų7239.4 Ų39.439%0.38519%0.193SC..THydrogen-bonded Turntrans-87.81.5178.5-65.9-72.3000113.1Y138 L139 A140 L144Y138-N142 WeakPolarHBondContact CD2-ND2 3.23Å; Y138-N142 WeakPolarHBondContact CE2-ND2 3.43Å; Y138-N142 WeakPolarHBondContact O-CB 3.45Å; Y138-N142 PolarHBondContact O-N 3.44Å; Y138-N142 VanDerWaalsContact O-N 3.11Å; Y138-N142 PolarHBondContact O-ND2 3.3Å; L139-N142 PolarHBondContact O-N 3.25Å; A140-N142 VanDerWaalsContact C-N 3.35Å; A140-N142 PolarHBondContact O-N 3.47Å; N142-L144 HydrophobicContact CB-CD1 4.07Å; N142-L144 HydrophobicContact CB-CG 3.81Å; N142-L144 PolarHBondContact O-N 3.34Å; N142-L144 VanDerWaalsContact O-N 3.15Å
143K97.9Very high98.4Very high159 Ų15939.2 Ų39.269%0.69119%0.192SC*.THydrogen-bonded Turntrans56.724.1-178.6-55.8176.4-178.3171.90114.1L139 A140 M141 R375L139-K143 WeakPolarHBondContact O-CA 3.14Å; L139-K143 PolarHBondContact O-N 2.87Å; A140-K143 PolarHBondContact O-N 2.97Å; A140-K143 VanDerWaalsContact O-N 3.12Å; M141-K143 VanDerWaalsContact C-N 3.3Å; K143-R375 PolarHBondContact O-NH2 2.74Å
144L98.2Very high98.5Very high55 Ų5541.4 Ų41.429%0.28820%0.202SC..  trans-71138.1179.8-60.6176.6000110.3Y138 L139 N142 I147Y138-L144 HydrophobicContact CD1-CD1 4.28Å; Y138-L144 HydrophobicContact CE1-CD1 3.62Å; L139-L144 HydrophobicContact CD2-CB 3.87Å; L139-L144 HydrophobicContact CD2-CD1 4.44Å; L139-L144 PolarHBondContact O-N 3.19Å; N142-L144 HydrophobicContact CB-CD1 4.07Å; N142-L144 HydrophobicContact CB-CG 3.81Å; N142-L144 PolarHBondContact O-N 3.34Å; N142-L144 VanDerWaalsContact O-N 3.15Å; L144-I147 HydrophobicContact CD1-CD1 4.46Å
145T97.9Very high98.4Very high61 Ų6141.4 Ų41.437%0.37420%0.202SC..SBendtrans-110-14.7176.151.60000112.7G180 R375T145-G180 VanDerWaalsContact O-CA 3.29Å; T145-G180 WeakPolarHBondContact O-CA 3.37Å; T145-R375 VanDerWaalsContact CG2-CZ 3.5Å
146N98.4Very high98.4Very high103 Ų10343.1 Ų43.155%0.55121%0.209SC*.  trans-145.6140.2174.170.1-35.7000110.7A179N146-A179 WeakPolarHBondContact CA-O 3.38Å
147I98.8Very high98.2Very high18 Ų1845.3 Ų45.39%0.09222%0.217CC..EExtended strand (participates in β ladder)trans-167.6145.2168.9-174.1173.6000107.8E90 I92 F135 Y138 L139 L144 R149 A179E90-I147 WeakPolarHBondContact OE2-CG1 3.19Å; I92-I147 HydrophobicContact CG2-CD1 4.45Å; F135-I147 HydrophobicContact CE2-CG2 3.65Å; F135-I147 HydrophobicContact CZ-CG2 3.58Å; Y138-I147 HydrophobicContact CE1-CD1 4.33Å; L139-I147 HydrophobicContact CD2-CG2 3.41Å; L139-I147 VanDerWaalsContact CD2-CG2 3.41Å; L144-I147 HydrophobicContact CD1-CD1 4.46Å; I147-R149 HydrophobicContact CD1-CB 4.26Å; I147-R149 HydrophobicContact CG1-CB 4.27Å; I147-A179 HydrophobicContact CG2-CB 4.09Å; I147-A179 PolarHBondContact N-O 3.31Å; I147-A179 PolarHBondContact O-N 2.98Å
148K98.9Very high97.9Very high59 Ų5949.4 Ų49.426%0.25723%0.232SC..EExtended strand (participates in β ladder)trans-117.7113.5169.3-178.9155.574.9164.70107.8H87 A89 E90 F176 D177 I178 E190H87-K148 WeakPolarHBondContact O-CE 3.47Å; H87-K148 PolarHBondContact O-NZ 3.41Å; A89-K148 WeakPolarHBondContact CA-O 3.47Å; A89-K148 HydrophobicContact CB-CG 4.17Å; E90-K148 PolarHBondContact N-O 2.89Å; K148-F176 HydrophobicContact CD-CE1 4.36Å; K148-F176 HydrophobicContact CD-CZ 3.78Å; K148-F176 HydrophobicContact CG-CE1 4.36Å; K148-F176 HydrophobicContact CG-CE2 4.39Å; K148-F176 HydrophobicContact CG-CZ 3.8Å; K148-D177 WeakPolarHBondContact CA-O 3.43Å; K148-I178 HydrophobicContact CD-CD1 3.89Å; K148-I178 HydrophobicContact CD-CG1 3.73Å; K148-I178 HydrophobicContact CD-CG2 4.5Å; K148-I178 HydrophobicContact CG-CG1 4Å; K148-E190 IonicContact NZ-OE1 3.53Å; K148-E190 PolarHBondContact NZ-OE1 3.16Å; K148-E190 IonicContact NZ-OE2 2.79Å; K148-E190 PolarHBondContact NZ-OE2 3.41Å; K148-E190 VanDerWaalsContact NZ-OE2 3.1Å
149R98.8Very high97.1Very high0 Ų047.9 Ų47.90%023%0.228CC..EExtended strand (participates in β ladder)trans-134.4158.8-170.667.883.6177.3146.83.6112.8E90 I92 F135 I147 D175 F176 D177E90-R149 CarbonylContact O-C 3.51Å; E90-R149 WeakPolarHBondContact O-CA 3.19Å; I92-R149 HydrophobicContact CD1-CG 4.23Å; I92-R149 HydrophobicContact CG1-CG 4.49Å; F135-R149 HydrophobicContact CD2-CG 4.04Å; F135-R149 VanDerWaalsContact CD2-NE 3.28Å; F135-R149 HydrophobicContact CE2-CG 3.49Å; F135-R149 VanDerWaalsContact CE2-CG 3.49Å; F135-R149 VanDerWaalsContact CG-NE 3.33Å; F135-R149 HydrophobicContact CZ-CG 3.78Å; I147-R149 HydrophobicContact CD1-CB 4.26Å; I147-R149 HydrophobicContact CG1-CB 4.27Å; R149-D175 VanDerWaalsContact NH1-CB 3.33Å; R149-D175 PolarHBondContact NH1-O 3.27Å; R149-F176 WeakPolarHBondContact O-CA 3.37Å; R149-D177 IonicContact CZ-OD2 3.57Å; R149-D177 PolarHBondContact N-O 3.27Å; R149-D177 IonicContact NE-OD2 3.73Å; R149-D177 IonicContact NH1-OD2 2.68Å; R149-D177 PolarHBondContact NH1-OD2 3.11Å; R149-D177 VanDerWaalsContact NH2-CG 3.29Å; R149-D177 IonicContact NH2-OD2 2.76Å; R149-D177 PolarHBondContact NH2-OD2 3.38Å; R149-D177 PolarHBondContact O-N 2.89Å
150Y98.9Very high96.3Very high20 Ų2053.7 Ų53.78%0.07826%0.259CS..EExtended strand (participates in β ladder)trans-120.6154.6158.974.7-88.6000111.4I81 F84 K85 A89 E90 V91 I92 I152 D175I81-Y150 HydrophobicContact CG1-CE2 4.34Å; F84-Y150 HydrophobicContact CB-CD1 3.75Å; F84-Y150 HydrophobicContact CB-CE1 4.32Å; F84-Y150 HydrophobicContact CB-CG 3.87Å; F84-Y150 HydrophobicContact CD2-CD1 4.29Å; F84-Y150 AromaticContact CD2-CD2 3.67Å; F84-Y150 HydrophobicContact CD2-CD2 3.67Å; F84-Y150 AromaticContact CD2-CG 3.53Å; F84-Y150 HydrophobicContact CD2-CG 3.53Å; F84-Y150 HydrophobicContact CE2-CD2 4.33Å; F84-Y150 HydrophobicContact CE2-CG 4.35Å; F84-Y150 HydrophobicContact CG-CD1 4.42Å; F84-Y150 HydrophobicContact CG-CG 4.04Å; K85-Y150 HydrophobicContact CG-CE1 4.43Å; A89-Y150 HydrophobicContact CB-CD1 3.97Å; E90-Y150 VanDerWaalsContact O-CD1 3.23Å; E90-Y150 WeakPolarHBondContact O-CD1 3.35Å; E90-Y150 PolarHBondContact O-N 3.2Å; V91-Y150 HydrophobicContact CB-CD1 4.29Å; V91-Y150 HydrophobicContact CB-CE1 3.72Å; V91-Y150 HydrophobicContact CB-CE2 3.99Å; V91-Y150 HydrophobicContact CG2-CD2 4.1Å; V91-Y150 HydrophobicContact CG2-CE1 4.25Å; V91-Y150 HydrophobicContact CG2-CE2 3.57Å; I92-Y150 PolarHBondContact N-O 2.85Å; Y150-I152 HydrophobicContact CD2-CD1 4.3Å; Y150-I152 HydrophobicContact CD2-CG1 4.21Å; Y150-I152 HydrophobicContact CE2-CD1 4.39Å; Y150-D175 CarbonylContact C-O 3.52Å; Y150-D175 WeakPolarHBondContact CA-O 3.42Å; Y150-D175 WeakPolarHBondContact CB-O 3.34Å
151H98.9Very high95.2Very high3 Ų354.6 Ų54.61%0.01426%0.264CS..EExtended strand (participates in β ladder)trans-144.4119.6176.5-171.7-171.2000109.3I92 D93 L131 A153 D175I92-H151 HydrophobicContact CG1-CB 4.5Å; I92-H151 PolarHBondContact O-CD2 2.93Å; I92-H151 VanDerWaalsContact O-CD2 3.25Å; D93-H151 IonicContact OD1-CD2 2.92Å; D93-H151 IonicContact OD1-CE1 3.64Å; D93-H151 IonicContact OD1-NE2 2.8Å; D93-H151 PolarHBondContact OD1-NE2 3.42Å; L131-H151 HydrophobicContact CD1-CB 4.23Å; L131-H151 WeakPolarHBondContact CD1-O 3.34Å; H151-A153 WeakPolarHBondContact NE2-CB 3.48Å; H151-D175 PolarHBondContact N-O 3.48Å; H151-D175 PolarHBondContact O-N 3.15Å
152I98.8Very high94.2Very high36 Ų3650.1 Ų50.119%0.18525%0.247CC..EExtended strand (participates in β ladder)trans-113.7109.8178.1-62.3175.4000108F77 I80 I81 F84 Y150 Y172 C174F77-I152 HydrophobicContact CD1-CD1 4.46Å; F77-I152 HydrophobicContact CD1-CG2 4.05Å; F77-I152 HydrophobicContact CE1-CG2 3.66Å; F77-I152 HydrophobicContact CZ-CG2 3.97Å; I80-I152 HydrophobicContact CG2-CD1 4.29Å; I81-I152 HydrophobicContact CD1-CD1 3.92Å; I81-I152 HydrophobicContact CG1-CD1 3.45Å; I81-I152 VanDerWaalsContact CG1-CD1 3.45Å; F84-I152 HydrophobicContact CE2-CD1 4.39Å; F84-I152 HydrophobicContact CE2-CG1 4.47Å; Y150-I152 HydrophobicContact CD2-CD1 4.3Å; Y150-I152 HydrophobicContact CD2-CG1 4.21Å; Y150-I152 HydrophobicContact CE2-CD1 4.39Å; I152-Y172 HydrophobicContact CG2-CD1 4.17Å; I152-C174 HydrophobicContact CG1-CB 4.2Å
153A98.6Very high92.6Very high6 Ų651.2 Ų51.25%0.0525%0.251CS..EExtended strand (participates in β ladder)trans-156.7157.4-170.800000112.1L131 H151 Q173L131-A153 HydrophobicContact CD1-CB 3.99Å; L131-A153 HydrophobicContact CD2-CB 3.69Å; H151-A153 WeakPolarHBondContact NE2-CB 3.48Å; A153-Q173 PolarHBondContact N-O 3.2Å; A153-Q173 VanDerWaalsContact N-O 3.14Å; A153-Q173 PolarHBondContact O-N 3.26Å
154K98.4Very high90.9Very high46 Ų4650.4 Ų50.420%0.226%0.259CS..EExtended strand (participates in β ladder)trans-74.4145.6171.5-66.6-179.8173.2-168.60111.7R128 Y156 E170 F171 Y172R128-K154 PolarHBondContact NE-O 3.48Å; R128-K154 PolarHBondContact NH2-O 2.89Å; K154-Y156 HydrophobicContact CB-CE2 4.29Å; K154-E170 HydrophobicContact CB-CG 4.4Å; K154-E170 HydrophobicContact CD-CG 3.84Å; K154-E170 HydrophobicContact CG-CG 4.46Å; K154-E170 IonicContact NZ-OE1 3.59Å; K154-E170 PolarHBondContact NZ-OE1 2.89Å; K154-E170 IonicContact NZ-OE2 3.01Å; K154-E170 PolarHBondContact NZ-OE2 3.41Å; K154-F171 CarbonylContact C-O 3.55Å; K154-F171 VanDerWaalsContact CA-O 3.26Å; K154-F171 WeakPolarHBondContact CA-O 3.29Å; K154-Y172 HydrophobicContact CD-CE2 4.33Å; K154-Y172 HydrophobicContact CG-CD1 4.08Å; K154-Y172 HydrophobicContact CG-CD2 4Å; K154-Y172 HydrophobicContact CG-CE1 3.83Å; K154-Y172 HydrophobicContact CG-CE2 3.76Å; K154-Y172 HydrophobicContact CG-CG 4.16Å
155V97.6Very high89.2Confident0 Ų057 Ų570%028%0.28CS..EExtended strand (participates in β ladder)trans-129.5161.3173.9-57.50000111R128 L131 E170 F171 Q173R128-V155 HydrophobicContact CG-CG1 4.49Å; L131-V155 HydrophobicContact CD2-CG1 3.61Å; L131-V155 HydrophobicContact CG-CG1 3.91Å; V155-E170 WeakPolarHBondContact O-CA 3.39Å; V155-F171 HydrophobicContact CG2-CD2 3.92Å; V155-F171 HydrophobicContact CG2-CE1 4.24Å; V155-F171 HydrophobicContact CG2-CE2 3.54Å; V155-F171 HydrophobicContact CG2-CG 4.41Å; V155-F171 HydrophobicContact CG2-CZ 3.72Å; V155-F171 PolarHBondContact N-O 3.04Å; V155-F171 PolarHBondContact O-N 3.41Å; V155-Q173 HydrophobicContact CG1-CB 4.32Å; V155-Q173 HydrophobicContact CG1-CG 4.25Å; V155-Q173 HydrophobicContact CG2-CG 3.8Å
156Y97Very high87.7Confident38 Ų3855.2 Ų55.215%0.14927%0.274CS..EExtended strand (participates in β ladder)trans-131116.7-165.9-59.7-90.9000111.7V96 L127 R128 K154 R169 E170V96-Y156 HydrophobicContact CG2-CD2 4.26Å; V96-Y156 HydrophobicContact CG2-CE2 3.39Å; L127-Y156 HydrophobicContact CB-CD2 3.95Å; L127-Y156 HydrophobicContact CB-CG 3.98Å; L127-Y156 HydrophobicContact CD1-CD1 3.81Å; L127-Y156 HydrophobicContact CD1-CD2 4.18Å; L127-Y156 HydrophobicContact CD1-CE1 4.38Å; L127-Y156 HydrophobicContact CD1-CG 3.69Å; L127-Y156 HydrophobicContact CG-CG 4.4Å; R128-Y156 PolarHBondContact O-N 2.99Å; K154-Y156 HydrophobicContact CB-CE2 4.29Å; Y156-R169 CarbonylContact C-O 3.59Å; Y156-R169 VanDerWaalsContact CA-O 3.31Å; Y156-R169 WeakPolarHBondContact CA-O 3.49Å; Y156-E170 HydrophobicContact CD1-CB 4.11Å; Y156-E170 HydrophobicContact CD1-CG 4.12Å; Y156-E170 HydrophobicContact CE1-CB 3.95Å; Y156-E170 HydrophobicContact CE1-CG 3.53Å; Y156-E170 VanDerWaalsContact CE1-OE1 3.29Å; Y156-E170 WeakPolarHBondContact CE1-OE1 3.24Å; Y156-E170 PolarHBondContact OH-OE1 3.32Å
157R94.4Very high86.7Confident45 Ų4556.5 Ų56.517%0.1727%0.272CS..  trans-131.1127.2-179.1-53.2-171.5-178.4175.46.8109.9Y129 D159 R169 F171Y129-R157 HydrophobicContact CD2-CB 4.34Å; Y129-R157 HydrophobicContact CD2-CG 3.72Å; Y129-R157 HydrophobicContact CE1-CG 4.42Å; Y129-R157 HydrophobicContact CE2-CB 3.96Å; Y129-R157 HydrophobicContact CE2-CG 3.55Å; Y129-R157 HydrophobicContact CG-CG 4.24Å; Y129-R157 VanDerWaalsContact CZ-CD 3.42Å; Y129-R157 PolarHBondContact O-NE 3.36Å; Y129-R157 PolarHBondContact O-NH2 3.08Å; R157-D159 HydrophobicContact CB-CB 4.49Å; R157-D159 PolarHBondContact O-N 2.98Å; R157-R169 PolarHBondContact N-O 3.42Å; R157-R169 VanDerWaalsContact O-CA 3.22Å; R157-R169 WeakPolarHBondContact O-CA 3.43Å; R157-R169 VanDerWaalsContact O-CB 3.3Å; R157-R169 WeakPolarHBondContact O-CB 3.4Å; R157-R169 VanDerWaalsContact O-CG 3.28Å; R157-R169 WeakPolarHBondContact O-CG 3.48Å; R157-F171 HydrophobicContact CB-CE1 4.37Å; R157-F171 HydrophobicContact CG-CE1 4.04Å; R157-F171 HydrophobicContact CG-CZ 4.16Å
158R92Very high86.1Confident123 Ų12356.4 Ų56.446%0.46427%0.27SS..  trans-7629.5178.2-65.4-177.865.5-174.2-2.2113.5L113 I114 Y115 R169L113-R158 HydrophobicContact CB-CB 4.48Å; L113-R158 VanDerWaalsContact O-CB 3.22Å; L113-R158 WeakPolarHBondContact O-CB 3.43Å; L113-R158 WeakPolarHBondContact O-CG 3.36Å; L113-R158 PolarHBondContact O-N 3.37Å; I114-R158 WeakPolarHBondContact O-CD 3Å; Y115-R158 HydrophobicContact CD1-CG 3.73Å; Y115-R158 HydrophobicContact CD2-CG 3.36Å; Y115-R158 HydrophobicContact CE1-CG 3.67Å; Y115-R158 HydrophobicContact CE2-CB 4.17Å; Y115-R158 HydrophobicContact CE2-CG 3.27Å; Y115-R158 HydrophobicContact CG-CG 3.59Å; Y115-R158 VanDerWaalsContact CZ-CG 3.44Å; R158-R169 PolarHBondContact O-NH2 3.07Å
159D83Confident85.9Confident26 Ų2655.7 Ų55.714%0.13927%0.266CS..  trans-59.4167.2179.4-148.9-27.2000111.7R157 P161 R167 R169R157-D159 HydrophobicContact CB-CB 4.49Å; R157-D159 PolarHBondContact O-N 2.98Å; D159-P161 WeakPolarHBondContact O-CD 3.47Å; D159-R167 VanDerWaalsContact CG-CZ 3.43Å; D159-R167 IonicContact OD1-CZ 2.8Å; D159-R167 IonicContact OD1-NE 2.86Å; D159-R167 PolarHBondContact OD1-NE 3.37Å; D159-R167 IonicContact OD1-NH1 3.62Å; D159-R167 IonicContact OD1-NH2 2.68Å; D159-R167 PolarHBondContact OD1-NH2 3.36Å; D159-R167 VanDerWaalsContact OD1-NH2 3.08Å; D159-R167 IonicContact OD2-CZ 3.97Å; D159-R167 IonicContact OD2-NE 3.81Å; D159-R167 PolarHBondContact OD2-NE 3.19Å; D159-R167 IonicContact OD2-NH2 3.06Å; D159-R167 PolarHBondContact OD2-NH2 3.49Å; D159-R169 PolarHBondContact O-NE 2.7Å; D159-R169 PolarHBondContact O-NH2 3.04Å
160N80.6Confident85.8Confident122 Ų12257.1 Ų57.165%0.65227%0.273SS*.  trans-81.4105.1170.2-75-38000108.5A162N160-A162 PolarHBondContact O-N 2.94Å
161P76.3Confident85.7Confident29 Ų2958 Ų5819%0.18828%0.277CS..  trans-68.7135.6-171.728.7-34000110.4K60 D159 M163 R167 R169K60-P161 HydrophobicContact CG-CG 4.17Å; D159-P161 WeakPolarHBondContact O-CD 3.47Å; P161-M163 HydrophobicContact CB-SD 4.37Å; P161-R167 CarbonylContact C-O 3.57Å; P161-R167 WeakPolarHBondContact CA-O 3.45Å; P161-R167 WeakPolarHBondContact CB-O 3.47Å; P161-R169 HydrophobicContact CB-CG 4.49Å
162A76.5Confident85.6Confident32 Ų3260.4 Ų60.426%0.26429%0.286SS..BIsolated β-bridgetrans-118.587170.600000107.2N160 T164 R165 G166 R167N160-A162 PolarHBondContact O-N 2.94Å; A162-T164 PolarHBondContact O-N 3.01Å; A162-R165 HydrophobicContact CB-CB 4.14Å; A162-R165 CarbonylContact O-C 3.55Å; A162-R165 PolarHBondContact O-N 3.19Å; A162-G166 PolarHBondContact O-N 3.18Å; A162-R167 HydrophobicContact CB-CB 4.09Å; A162-R167 PolarHBondContact N-O 3.05Å; A162-R167 PolarHBondContact O-N 2.99Å; A162-R167 VanDerWaalsContact O-N 3.1Å
163M65Low85.5Confident95 Ų9559.8 Ų59.847%0.46828%0.282SS..G310 helixtrans-59.4-35.4-171.6-59.3-62.8-77.800112.3P161 R165 G166 Y168P161-M163 HydrophobicContact CB-SD 4.37Å; M163-R165 PolarHBondContact O-N 3.43Å; M163-G166 PolarHBondContact O-N 3.15Å; M163-Y168 HydrophobicContact CE-CD1 3.85Å; M163-Y168 HydrophobicContact CE-CE1 3.59Å; M163-Y168 HydrophobicContact SD-CD1 3.57Å; M163-Y168 VanDerWaalsContact SD-CD1 3.57Å; M163-Y168 HydrophobicContact SD-CE1 3.65Å
164T61.2Low85.5Confident141 Ų14159.5 Ų59.587%0.86528%0.28SS*.G310 helixtrans-69.3-18176.651.60000113.6A162A162-T164 PolarHBondContact O-N 3.01Å
165R63.3Low85.5Confident193 Ų19357.4 Ų57.473%0.72827%0.271SS*.G310 helixtrans-110.59.6-179.5-63.5-173.7177.3176.9-1.6113A162 M163 R167A162-R165 HydrophobicContact CB-CB 4.14Å; A162-R165 CarbonylContact O-C 3.55Å; A162-R165 PolarHBondContact O-N 3.19Å; M163-R165 PolarHBondContact O-N 3.43Å; R165-R167 VanDerWaalsContact C-N 3.29Å; R165-R167 PolarHBondContact O-N 3.2Å
166G67.3Low85.6Confident24 Ų2457.4 Ų57.425%0.24727%0.271CS..THydrogen-bonded Turntrans70.718.1-179.500000114.8A162 M163 Y168A162-G166 PolarHBondContact O-N 3.18Å; M163-G166 PolarHBondContact O-N 3.15Å; G166-Y168 VanDerWaalsContact O-CD2 3.24Å; G166-Y168 WeakPolarHBondContact O-CD2 3.33Å; G166-Y168 WeakPolarHBondContact O-CE2 3.25Å
167R76.2Confident85.7Confident131 Ų13155.7 Ų55.749%0.49426%0.264SS..BIsolated β-bridgetrans-92.9103.3178.2-166.9-179.7-165.7172.64.6109.6D159 P161 A162 R165D159-R167 VanDerWaalsContact CG-CZ 3.43Å; D159-R167 IonicContact OD1-CZ 2.8Å; D159-R167 IonicContact OD1-NE 2.86Å; D159-R167 PolarHBondContact OD1-NE 3.37Å; D159-R167 IonicContact OD1-NH1 3.62Å; D159-R167 IonicContact OD1-NH2 2.68Å; D159-R167 PolarHBondContact OD1-NH2 3.36Å; D159-R167 VanDerWaalsContact OD1-NH2 3.08Å; D159-R167 IonicContact OD2-CZ 3.97Å; D159-R167 IonicContact OD2-NE 3.81Å; D159-R167 PolarHBondContact OD2-NE 3.19Å; D159-R167 IonicContact OD2-NH2 3.06Å; D159-R167 PolarHBondContact OD2-NH2 3.49Å; P161-R167 CarbonylContact C-O 3.57Å; P161-R167 WeakPolarHBondContact CA-O 3.45Å; P161-R167 WeakPolarHBondContact CB-O 3.47Å; A162-R167 HydrophobicContact CB-CB 4.09Å; A162-R167 PolarHBondContact N-O 3.05Å; A162-R167 PolarHBondContact O-N 2.99Å; A162-R167 VanDerWaalsContact O-N 3.1Å; R165-R167 VanDerWaalsContact C-N 3.29Å; R165-R167 PolarHBondContact O-N 3.2Å
168Y87.5Confident85.9Confident15 Ų1554 Ų546%0.05926%0.259CS..  trans-109168.7-177.3-54.7-70.8000111.7R63 M163 G166 E170 F171 E387R63-Y168 PolarHBondContact NH1-OH 3.1Å; M163-Y168 HydrophobicContact CE-CD1 3.85Å; M163-Y168 HydrophobicContact CE-CE1 3.59Å; M163-Y168 HydrophobicContact SD-CD1 3.57Å; M163-Y168 VanDerWaalsContact SD-CD1 3.57Å; M163-Y168 HydrophobicContact SD-CE1 3.65Å; G166-Y168 VanDerWaalsContact O-CD2 3.24Å; G166-Y168 WeakPolarHBondContact O-CD2 3.33Å; G166-Y168 WeakPolarHBondContact O-CE2 3.25Å; Y168-E170 WeakPolarHBondContact CB-O 3.44Å; Y168-F171 WeakPolarHBondContact O-CD1 3.4Å; Y168-E387 HydrophobicContact CD2-CB 4.36Å; Y168-E387 HydrophobicContact CD2-CG 4.14Å; Y168-E387 HydrophobicContact CE2-CB 4.26Å; Y168-E387 HydrophobicContact CE2-CG 4.41Å
169R94.3Very high86.2Confident44 Ų4448.1 Ų48.117%0.16624%0.237CC..SBendtrans-93.9-26172.9-70.5175.8149.3-158.70.9112.7K60 G61 Y115 Y156 R157 R158 D159 P161K60-R169 WeakPolarHBondContact O-CD 3.1Å; G61-R169 PolarHBondContact O-N 2.88Å; Y115-R169 HydrophobicContact CE2-CB 4.46Å; Y115-R169 WeakPolarHBondContact OH-CD 3.37Å; Y156-R169 CarbonylContact C-O 3.59Å; Y156-R169 VanDerWaalsContact CA-O 3.31Å; Y156-R169 WeakPolarHBondContact CA-O 3.49Å; R157-R169 PolarHBondContact N-O 3.42Å; R157-R169 VanDerWaalsContact O-CA 3.22Å; R157-R169 WeakPolarHBondContact O-CA 3.43Å; R157-R169 VanDerWaalsContact O-CB 3.3Å; R157-R169 WeakPolarHBondContact O-CB 3.4Å; R157-R169 VanDerWaalsContact O-CG 3.28Å; R157-R169 WeakPolarHBondContact O-CG 3.48Å; R158-R169 PolarHBondContact O-NH2 3.07Å; D159-R169 PolarHBondContact O-NE 2.7Å; D159-R169 PolarHBondContact O-NH2 3.04Å; P161-R169 HydrophobicContact CB-CG 4.49Å
170E96.3Very high86.9Confident31 Ų3147.1 Ų47.115%0.14523%0.232CC..EExtended strand (participates in β ladder)trans-120125.3166.9178.4-169.4-114.200107.7G61 T62 K154 V155 Y156 Y168G61-E170 PolarHBondContact O-N 3.39Å; T62-E170 HydrophobicContact CG2-CB 3.87Å; K154-E170 HydrophobicContact CB-CG 4.4Å; K154-E170 HydrophobicContact CD-CG 3.84Å; K154-E170 HydrophobicContact CG-CG 4.46Å; K154-E170 IonicContact NZ-OE1 3.59Å; K154-E170 PolarHBondContact NZ-OE1 2.89Å; K154-E170 IonicContact NZ-OE2 3.01Å; K154-E170 PolarHBondContact NZ-OE2 3.41Å; V155-E170 WeakPolarHBondContact O-CA 3.39Å; Y156-E170 HydrophobicContact CD1-CB 4.11Å; Y156-E170 HydrophobicContact CD1-CG 4.12Å; Y156-E170 HydrophobicContact CE1-CB 3.95Å; Y156-E170 HydrophobicContact CE1-CG 3.53Å; Y156-E170 VanDerWaalsContact CE1-OE1 3.29Å; Y156-E170 WeakPolarHBondContact CE1-OE1 3.24Å; Y156-E170 PolarHBondContact OH-OE1 3.32Å; Y168-E170 WeakPolarHBondContact CB-O 3.44Å
171F95.6Very high87.8Confident37 Ų3747.1 Ų47.116%0.16223%0.232CC..EExtended strand (participates in β ladder)trans-156.7162.1178.156.1-86000111.6K154 V155 R157 Y168 Q173 E387K154-F171 CarbonylContact C-O 3.55Å; K154-F171 VanDerWaalsContact CA-O 3.26Å; K154-F171 WeakPolarHBondContact CA-O 3.29Å; V155-F171 HydrophobicContact CG2-CD2 3.92Å; V155-F171 HydrophobicContact CG2-CE1 4.24Å; V155-F171 HydrophobicContact CG2-CE2 3.54Å; V155-F171 HydrophobicContact CG2-CG 4.41Å; V155-F171 HydrophobicContact CG2-CZ 3.72Å; V155-F171 PolarHBondContact N-O 3.04Å; V155-F171 PolarHBondContact O-N 3.41Å; R157-F171 HydrophobicContact CB-CE1 4.37Å; R157-F171 HydrophobicContact CG-CE1 4.04Å; R157-F171 HydrophobicContact CG-CZ 4.16Å; Y168-F171 WeakPolarHBondContact O-CD1 3.4Å; F171-Q173 HydrophobicContact CE2-CG 4.15Å; F171-E387 HydrophobicContact CB-CG 3.48Å; F171-E387 VanDerWaalsContact CB-CG 3.48Å; F171-E387 HydrophobicContact CG-CG 4.49Å
172Y97.2Very high88.8Confident55 Ų5551 Ų5122%0.21625%0.246CC..EExtended strand (participates in β ladder)trans-80139.2175.1-82.3-85.1000112.8F77 I152 K154 V386 E387F77-Y172 AromaticContact CZ-CD1 3.89Å; F77-Y172 HydrophobicContact CZ-CD1 3.89Å; F77-Y172 HydrophobicContact CZ-CD2 4.18Å; F77-Y172 HydrophobicContact CZ-CE1 4.22Å; F77-Y172 HydrophobicContact CZ-CE2 4.47Å; F77-Y172 AromaticContact CZ-CG 3.87Å; F77-Y172 HydrophobicContact CZ-CG 3.87Å; I152-Y172 HydrophobicContact CG2-CD1 4.17Å; K154-Y172 HydrophobicContact CD-CE2 4.33Å; K154-Y172 HydrophobicContact CG-CD1 4.08Å; K154-Y172 HydrophobicContact CG-CD2 4Å; K154-Y172 HydrophobicContact CG-CE1 3.83Å; K154-Y172 HydrophobicContact CG-CE2 3.76Å; K154-Y172 HydrophobicContact CG-CG 4.16Å; Y172-V386 VanDerWaalsContact CB-CG2 3.48Å; Y172-E387 PolarHBondContact N-OE1 3.49Å
173Q97.1Very high89.9Confident22 Ų2255.3 Ų55.310%0.10327%0.265CS..EExtended strand (participates in β ladder)trans-108.6152.8156.6-77-167.4-76.100109.7D130 L131 A153 V155 F171 S383D130-Q173 VanDerWaalsContact CA-OE1 3.24Å; L131-Q173 HydrophobicContact CD1-CB 3.87Å; L131-Q173 HydrophobicContact CG-CB 4.2Å; A153-Q173 PolarHBondContact N-O 3.2Å; A153-Q173 VanDerWaalsContact N-O 3.14Å; A153-Q173 PolarHBondContact O-N 3.26Å; V155-Q173 HydrophobicContact CG1-CB 4.32Å; V155-Q173 HydrophobicContact CG1-CG 4.25Å; V155-Q173 HydrophobicContact CG2-CG 3.8Å; F171-Q173 HydrophobicContact CE2-CG 4.15Å; Q173-S383 PolarHBondContact NE2-OG 3.03Å; Q173-S383 VanDerWaalsContact NE2-OG 3.12Å
174C98.4Very high91.5Very high0 Ų054.3 Ų54.30%027%0.266CS..EExtended strand (participates in β ladder)trans-131.988.7178.9-74.10000107.8F77 I80 I152 S383 I384 V386F77-C174 VanDerWaalsContact CE1-SG 3.57Å; I80-C174 HydrophobicContact CG2-CB 4.49Å; I152-C174 HydrophobicContact CG1-CB 4.2Å; C174-S383 WeakPolarHBondContact O-CA 3.44Å; C174-I384 HydrophobicContact CB-CB 3.98Å; C174-I384 PolarHBondContact O-N 3.14Å; C174-V386 HydrophobicContact CB-CG1 4.05Å; C174-V386 WeakPolarHBondContact SG-CG1 3.43Å
175D98.8Very high93.3Very high2 Ų247.9 Ų47.91%0.01123%0.226CC..EExtended strand (participates in β ladder)trans-98.9141.7-170-72.722.5000110.5L131 R149 Y150 H151 L382 S383L131-D175 HydrophobicContact CB-CB 4.35Å; L131-D175 WeakPolarHBondContact CB-OD2 3.45Å; L131-D175 HydrophobicContact CD1-CB 4.24Å; R149-D175 VanDerWaalsContact NH1-CB 3.33Å; R149-D175 PolarHBondContact NH1-O 3.27Å; Y150-D175 CarbonylContact C-O 3.52Å; Y150-D175 WeakPolarHBondContact CA-O 3.42Å; Y150-D175 WeakPolarHBondContact CB-O 3.34Å; H151-D175 PolarHBondContact N-O 3.48Å; H151-D175 PolarHBondContact O-N 3.15Å; D175-L382 CarbonylContact C-O 3.6Å; D175-L382 VanDerWaalsContact CA-O 3.25Å; D175-L382 WeakPolarHBondContact CA-O 3.41Å; D175-S383 WeakPolarHBondContact OD1-CB 3.42Å; D175-S383 PolarHBondContact OD1-OG 3.07Å
176F98.9Very high95Very high0 Ų042.7 Ų42.70%021%0.212CC..EExtended strand (participates in β ladder)trans-132.6130.9170.5175.2-76000108.5F84 H87 A89 K148 R149 I178 I194 G381 L382F84-F176 HydrophobicContact CB-CD2 4.23Å; F84-F176 HydrophobicContact CD1-CB 3.99Å; F84-F176 AromaticContact CD1-CD2 3.52Å; F84-F176 HydrophobicContact CD1-CD2 3.52Å; F84-F176 HydrophobicContact CD1-CE2 4.33Å; F84-F176 HydrophobicContact CD1-CG 4.1Å; F84-F176 HydrophobicContact CE1-CB 3.56Å; F84-F176 HydrophobicContact CE1-CD2 4.02Å; F84-F176 HydrophobicContact CE1-CG 4.12Å; F84-F176 AromaticContact CG-CD2 3.98Å; F84-F176 HydrophobicContact CG-CD2 3.98Å; F84-F176 HydrophobicContact CZ-CB 3.88Å; H87-F176 HydrophobicContact CB-CE2 4.22Å; H87-F176 HydrophobicContact CB-CZ 4.26Å; A89-F176 HydrophobicContact CB-CD2 3.86Å; A89-F176 HydrophobicContact CB-CE2 3.34Å; A89-F176 HydrophobicContact CB-CZ 4.21Å; K148-F176 HydrophobicContact CD-CE1 4.36Å; K148-F176 HydrophobicContact CD-CZ 3.78Å; K148-F176 HydrophobicContact CG-CE1 4.36Å; K148-F176 HydrophobicContact CG-CE2 4.39Å; K148-F176 HydrophobicContact CG-CZ 3.8Å; R149-F176 WeakPolarHBondContact O-CA 3.37Å; F176-I178 HydrophobicContact CD1-CG1 4.46Å; F176-I178 HydrophobicContact CE1-CD1 3.94Å; F176-I178 HydrophobicContact CE1-CG1 3.62Å; F176-I178 HydrophobicContact CZ-CG1 4.34Å; F176-I194 HydrophobicContact CD1-CD1 3.82Å; F176-I194 HydrophobicContact CD2-CD1 4.15Å; F176-I194 HydrophobicContact CE1-CD1 3.3Å; F176-I194 HydrophobicContact CE2-CD1 3.62Å; F176-I194 HydrophobicContact CG-CD1 4.23Å; F176-I194 HydrophobicContact CZ-CD1 3.18Å; F176-G381 CarbonylContact O-C 3.56Å; F176-G381 WeakPolarHBondContact O-CA 3.2Å; F176-L382 HydrophobicContact CB-CD1 4.18Å; F176-L382 HydrophobicContact CB-CG 4.08Å; F176-L382 PolarHBondContact N-O 3.02Å; F176-L382 PolarHBondContact O-N 3.28Å
177D98.9Very high96.5Very high2 Ų241.9 Ų41.91%0.01120%0.202CC..EExtended strand (participates in β ladder)trans-142139.9-172.8-66.1-95.8000111.6F135 K148 R149 Y363 V380 G381F135-D177 HydrophobicContact CD1-CB 4.11Å; F135-D177 HydrophobicContact CE1-CB 3.62Å; F135-D177 HydrophobicContact CZ-CB 4.28Å; K148-D177 WeakPolarHBondContact CA-O 3.43Å; R149-D177 IonicContact CZ-OD2 3.57Å; R149-D177 PolarHBondContact N-O 3.27Å; R149-D177 IonicContact NE-OD2 3.73Å; R149-D177 IonicContact NH1-OD2 2.68Å; R149-D177 PolarHBondContact NH1-OD2 3.11Å; R149-D177 VanDerWaalsContact NH2-CG 3.29Å; R149-D177 IonicContact NH2-OD2 2.76Å; R149-D177 PolarHBondContact NH2-OD2 3.38Å; R149-D177 PolarHBondContact O-N 2.89Å; D177-Y363 VanDerWaalsContact CG-OH 3.31Å; D177-Y363 WeakPolarHBondContact OD1-CE1 3.4Å; D177-Y363 PolarHBondContact OD1-OH 3.25Å; D177-V380 WeakPolarHBondContact CA-O 3.13Å; D177-G381 WeakPolarHBondContact OD1-CA 3.29Å
178I98.9Very high97.6Very high10 Ų1035.7 Ų35.75%0.05118%0.179CC..EExtended strand (participates in β ladder)trans-113.8111.4173.6-49.8-179.8000107.3K148 F176 F182 P187 E190 C379 V380K148-I178 HydrophobicContact CD-CD1 3.89Å; K148-I178 HydrophobicContact CD-CG1 3.73Å; K148-I178 HydrophobicContact CD-CG2 4.5Å; K148-I178 HydrophobicContact CG-CG1 4Å; F176-I178 HydrophobicContact CD1-CG1 4.46Å; F176-I178 HydrophobicContact CE1-CD1 3.94Å; F176-I178 HydrophobicContact CE1-CG1 3.62Å; F176-I178 HydrophobicContact CZ-CG1 4.34Å; I178-F182 HydrophobicContact CG2-CD2 4.35Å; I178-F182 HydrophobicContact CG2-CE2 3.79Å; I178-P187 HydrophobicContact CB-CB 4.13Å; I178-P187 HydrophobicContact CD1-CB 3.69Å; I178-P187 HydrophobicContact CG1-CB 4.49Å; I178-P187 HydrophobicContact CG2-CB 3.89Å; I178-E190 HydrophobicContact CD1-CB 4.26Å; I178-E190 HydrophobicContact CD1-CG 4.44Å; I178-E190 WeakPolarHBondContact CD1-OE2 3.48Å; I178-C379 WeakPolarHBondContact O-CA 3.46Å; I178-V380 HydrophobicContact CB-CG1 4.24Å; I178-V380 PolarHBondContact N-O 3.02Å; I178-V380 PolarHBondContact O-N 3.12Å
179A98.9Very high98.1Very high0 Ų035 Ų350%018%0.176CC..EExtended strand (participates in β ladder)trans-105.9134.4174.600000109.9F135 L139 N146 I147 V377 P378 C379F135-A179 HydrophobicContact CE1-CB 4.27Å; F135-A179 HydrophobicContact CZ-CB 4Å; L139-A179 HydrophobicContact CD1-CB 3.8Å; L139-A179 HydrophobicContact CD2-CB 4.31Å; N146-A179 WeakPolarHBondContact CA-O 3.38Å; I147-A179 HydrophobicContact CG2-CB 4.09Å; I147-A179 PolarHBondContact N-O 3.31Å; I147-A179 PolarHBondContact O-N 2.98Å; A179-V377 HydrophobicContact CB-CG1 4.15Å; A179-P378 CarbonylContact C-O 3.53Å; A179-P378 WeakPolarHBondContact CA-O 3.46Å; A179-C379 VanDerWaalsContact CB-SG 3.52Å
180G98.4Very high98.3Very high4 Ų434.6 Ų34.64%0.04118%0.176CC..SBendtrans147.9163.1175.300000113.9T145 F182 P378T145-G180 VanDerWaalsContact O-CA 3.29Å; T145-G180 WeakPolarHBondContact O-CA 3.37Å; G180-F182 VanDerWaalsContact CA-CE2 3.48Å; G180-F182 WeakPolarHBondContact O-CD2 3.34Å; G180-P378 PolarHBondContact N-O 2.93Å
181N98.4Very high98.4Very high122 Ų12233.1 Ų33.165%0.65217%0.169SC*.  trans-84.5114.1170.6-64-72.2000108.4P378N181-P378 WeakPolarHBondContact OD1-CD 3.46Å; N181-P378 WeakPolarHBondContact OD1-CG 3.41Å
182F98.6Very high98.6Very high112 Ų11231.4 Ų31.449%0.49116%0.162SC..  trans-133.7170.4-179.8-58.4-69.2000109.8I178 G180 P187I178-F182 HydrophobicContact CG2-CD2 4.35Å; I178-F182 HydrophobicContact CG2-CE2 3.79Å; G180-F182 VanDerWaalsContact CA-CE2 3.48Å; G180-F182 WeakPolarHBondContact O-CD2 3.34Å; F182-P187 HydrophobicContact CB-CG 4.46Å; F182-P187 HydrophobicContact CD2-CG 4.39Å
183D98.6Very high98.7Very high121 Ų12131 Ų3165%0.64716%0.161SC*.SBendtrans-64.4148.2173.7-70.2-4.4000110.9I186D183-I186 HydrophobicContact CB-CD1 3.94Å
184P98.6Very high98.8Very high75 Ų7530 Ų3049%0.48716%0.156SC..THydrogen-bonded Turntrans-56.6140.3-168.3-26.735.3000113.7I186 L304 Y308P184-I186 PolarHBondContact O-N 3.15Å; P184-L304 HydrophobicContact CB-CD2 4.06Å; P184-Y308 WeakPolarHBondContact O-CE2 3.44Å
185M98.8Very high98.8Very high5 Ų530 Ų303%0.02516%0.156CC..THydrogen-bonded Turntrans65.4-8.9167.7-51.6-45.7-64.600117.9D188 A189 D301 L304 L305 Y308 V334M185-D188 WeakPolarHBondContact CA-OD2 3.25Å; M185-D188 HydrophobicContact CE-CB 3.67Å; M185-D188 PolarHBondContact O-N 2.8Å; M185-D188 HydrophobicContact SD-CB 4.49Å; M185-A189 WeakPolarHBondContact O-CB 3.42Å; M185-A189 PolarHBondContact O-N 3.42Å; M185-D301 HydrophobicContact CE-CB 4.36Å; M185-D301 HydrophobicContact CG-CB 4.04Å; M185-D301 WeakPolarHBondContact CG-O 3.37Å; M185-D301 HydrophobicContact SD-CB 3.7Å; M185-L304 HydrophobicContact CB-CD2 4.18Å; M185-L304 HydrophobicContact CB-CG 4.28Å; M185-L304 HydrophobicContact CG-CB 4.38Å; M185-L304 HydrophobicContact CG-CD2 4.11Å; M185-L304 HydrophobicContact CG-CG 4.43Å; M185-L305 HydrophobicContact CB-CB 4.46Å; M185-L305 HydrophobicContact CE-CB 3.87Å; M185-L305 HydrophobicContact CE-CD1 4.14Å; M185-L305 HydrophobicContact CE-CD2 3.94Å; M185-L305 HydrophobicContact CE-CG 4.2Å; M185-Y308 HydrophobicContact CB-CD2 4.1Å; M185-Y308 HydrophobicContact CB-CE2 3.9Å; M185-V334 HydrophobicContact CE-CG1 3.46Å; M185-V334 VanDerWaalsContact CE-CG1 3.46Å
186I98.9Very high98.8Very high85 Ų8530 Ų3044%0.43616%0.157SC..Hα-helixtrans-60.9-55176.2-56.3176.3000111.9D183 P184 D188 A189 E190 Y308D183-I186 HydrophobicContact CB-CD1 3.94Å; P184-I186 PolarHBondContact O-N 3.15Å; I186-D188 VanDerWaalsContact C-N 3.29Å; I186-D188 PolarHBondContact O-N 3.25Å; I186-A189 PolarHBondContact O-N 3.45Å; I186-E190 PolarHBondContact O-N 3.11Å; I186-E190 VanDerWaalsContact O-N 3.08Å; I186-Y308 HydrophobicContact CG1-CD2 4.47Å; I186-Y308 HydrophobicContact CG1-CE2 3.74Å
187P98.8Very high98.8Very high7 Ų732 Ų325%0.04517%0.166CC..Hα-helixtrans-68.1-30.5179.428.1-35.6000112.4I178 F182 E190 C191 V380I178-P187 HydrophobicContact CB-CB 4.13Å; I178-P187 HydrophobicContact CD1-CB 3.69Å; I178-P187 HydrophobicContact CG1-CB 4.49Å; I178-P187 HydrophobicContact CG2-CB 3.89Å; F182-P187 HydrophobicContact CB-CG 4.46Å; F182-P187 HydrophobicContact CD2-CG 4.39Å; P187-E190 PolarHBondContact O-N 2.87Å; P187-C191 PolarHBondContact O-N 3Å; P187-C191 PolarHBondContact O-SG 2.84Å; P187-V380 HydrophobicContact CB-CG1 3.76Å; P187-V380 HydrophobicContact CG-CG1 4.1Å
188D98.9Very high98.8Very high1 Ų131.9 Ų31.91%0.00517%0.165CC..Hα-helixtrans-63.5-43.6176-50.2-106.8000111.1M185 I186 C191 L192 L305 V334 R362 V380M185-D188 WeakPolarHBondContact CA-OD2 3.25Å; M185-D188 HydrophobicContact CE-CB 3.67Å; M185-D188 PolarHBondContact O-N 2.8Å; M185-D188 HydrophobicContact SD-CB 4.49Å; I186-D188 VanDerWaalsContact C-N 3.29Å; I186-D188 PolarHBondContact O-N 3.25Å; D188-C191 PolarHBondContact O-N 3.14Å; D188-L192 PolarHBondContact O-N 3.01Å; D188-L305 HydrophobicContact CB-CD1 4.32Å; D188-V334 HydrophobicContact CB-CG2 4.15Å; D188-V334 WeakPolarHBondContact OD1-CG2 3.06Å; D188-R362 VanDerWaalsContact CG-NH2 3.31Å; D188-R362 IonicContact OD1-CZ 2.66Å; D188-R362 IonicContact OD1-NE 2.94Å; D188-R362 PolarHBondContact OD1-NE 3.1Å; D188-R362 IonicContact OD1-NH2 3.61Å; D188-R362 PolarHBondContact OD1-NH2 3.32Å; D188-R362 IonicContact OD2-CZ 2.97Å; D188-R362 IonicContact OD2-NE 3.2Å; D188-R362 IonicContact OD2-NH2 2.69Å; D188-R362 PolarHBondContact OD2-NH2 3.3Å; D188-V380 HydrophobicContact CB-CG2 4.31Å
189A98.9Very high98.7Very high0 Ų031.4 Ų31.40%016%0.163CC..Hα-helixtrans-64-40.1173.400000111.9M185 I186 C191 L192 K193 L305 Y308 F312M185-A189 WeakPolarHBondContact O-CB 3.42Å; M185-A189 PolarHBondContact O-N 3.42Å; I186-A189 PolarHBondContact O-N 3.45Å; A189-C191 VanDerWaalsContact C-N 3.32Å; A189-C191 PolarHBondContact O-N 2.82Å; A189-L192 PolarHBondContact O-N 2.72Å; A189-K193 PolarHBondContact O-N 2.66Å; A189-L305 HydrophobicContact CB-CD1 3.7Å; A189-Y308 HydrophobicContact CB-CD2 4.21Å; A189-F312 HydrophobicContact CB-CD2 4.21Å; A189-F312 HydrophobicContact CB-CE2 3.79Å
190E98.9Very high98.6Very high36 Ų3634.7 Ų34.717%0.16819%0.186CC..Hα-helixtrans-61.2-40.8176.5-171.1-179.8-177.300111.2H87 K148 I178 I186 P187 L192 K193 I194H87-E190 IonicContact CE1-OE1 3.52Å; H87-E190 IonicContact CG-OE1 2.72Å; H87-E190 IonicContact ND1-OE1 2.93Å; H87-E190 PolarHBondContact ND1-OE1 2.82Å; K148-E190 IonicContact NZ-OE1 3.53Å; K148-E190 PolarHBondContact NZ-OE1 3.16Å; K148-E190 IonicContact NZ-OE2 2.79Å; K148-E190 PolarHBondContact NZ-OE2 3.41Å; K148-E190 VanDerWaalsContact NZ-OE2 3.1Å; I178-E190 HydrophobicContact CD1-CB 4.26Å; I178-E190 HydrophobicContact CD1-CG 4.44Å; I178-E190 WeakPolarHBondContact CD1-OE2 3.48Å; I186-E190 PolarHBondContact O-N 3.11Å; I186-E190 VanDerWaalsContact O-N 3.08Å; P187-E190 PolarHBondContact O-N 2.87Å; E190-L192 PolarHBondContact O-N 3.46Å; E190-K193 WeakPolarHBondContact O-CB 3.41Å; E190-K193 PolarHBondContact O-N 2.91Å; E190-I194 HydrophobicContact CG-CD1 4.1Å; E190-I194 WeakPolarHBondContact O-CG1 3.23Å; E190-I194 PolarHBondContact O-N 3.42Å
191C98.9Very high98.5Very high0 Ų037.4 Ų37.40%020%0.204CC..Hα-helixtrans-59.8-45.4175.1-73.30000112.4P187 D188 A189 K193 I194 M195 Y336 L382P187-C191 PolarHBondContact O-N 3Å; P187-C191 PolarHBondContact O-SG 2.84Å; D188-C191 PolarHBondContact O-N 3.14Å; A189-C191 VanDerWaalsContact C-N 3.32Å; A189-C191 PolarHBondContact O-N 2.82Å; C191-K193 VanDerWaalsContact C-N 3.33Å; C191-K193 PolarHBondContact O-N 2.94Å; C191-I194 PolarHBondContact O-N 3.02Å; C191-M195 PolarHBondContact O-N 3.27Å; C191-Y336 VanDerWaalsContact CB-OH 3.23Å; C191-Y336 WeakPolarHBondContact CB-OH 3.06Å; C191-L382 HydrophobicContact CB-CD2 3.98Å; C191-L382 WeakPolarHBondContact O-CD2 3.45Å
192L98.9Very high98.3Very high1 Ų132 Ų321%0.00518%0.176CC..Hα-helixtrans-64.4-38.2176-70.4174000111.8D188 A189 E190 M195 C196 V209 V211 L305 L309 I314 Y336D188-L192 PolarHBondContact O-N 3.01Å; A189-L192 PolarHBondContact O-N 2.72Å; E190-L192 PolarHBondContact O-N 3.46Å; L192-M195 WeakPolarHBondContact O-CB 3.19Å; L192-M195 PolarHBondContact O-N 3.46Å; L192-C196 PolarHBondContact O-N 2.88Å; L192-C196 PolarHBondContact O-SG 3.37Å; L192-C196 VanDerWaalsContact O-SG 3.4Å; L192-V209 HydrophobicContact CD2-CG1 3.71Å; L192-V211 HydrophobicContact CD1-CG2 4.07Å; L192-V211 HydrophobicContact CD2-CG2 4.16Å; L192-L305 HydrophobicContact CD1-CD1 4.21Å; L192-L305 HydrophobicContact CD1-CD2 3.96Å; L192-L305 HydrophobicContact CD1-CG 4.37Å; L192-L309 HydrophobicContact CB-CD2 3.8Å; L192-L309 HydrophobicContact CD1-CD1 4.04Å; L192-L309 HydrophobicContact CD1-CD2 3.81Å; L192-L309 HydrophobicContact CD1-CG 4.47Å; L192-L309 HydrophobicContact CG-CD2 4.48Å; L192-I314 HydrophobicContact CB-CD1 4.33Å; L192-Y336 HydrophobicContact CD2-CD1 3.9Å; L192-Y336 HydrophobicContact CD2-CD2 4.03Å; L192-Y336 HydrophobicContact CD2-CE1 4.43Å; L192-Y336 HydrophobicContact CD2-CG 3.67Å; L192-Y336 HydrophobicContact CG-CD1 4.39Å
193K98.9Very high98.1Very high46 Ų4633.6 Ų33.620%0.218%0.184CC..Hα-helixtrans-59.7-48.4174-178.456.5171.4-167.80112.5A189 E190 C191 M195 C196 E197 F312 I314A189-K193 PolarHBondContact O-N 2.66Å; E190-K193 WeakPolarHBondContact O-CB 3.41Å; E190-K193 PolarHBondContact O-N 2.91Å; C191-K193 VanDerWaalsContact C-N 3.33Å; C191-K193 PolarHBondContact O-N 2.94Å; K193-M195 VanDerWaalsContact C-N 3.29Å; K193-M195 PolarHBondContact O-N 2.86Å; K193-C196 PolarHBondContact O-N 2.7Å; K193-E197 HydrophobicContact CD-CG 4.16Å; K193-E197 WeakPolarHBondContact CE-OE1 3.17Å; K193-E197 HydrophobicContact CG-CG 4.43Å; K193-E197 WeakPolarHBondContact O-CG 3.43Å; K193-E197 PolarHBondContact O-N 3.21Å; K193-F312 HydrophobicContact CB-CD2 3.91Å; K193-F312 HydrophobicContact CB-CE2 4.33Å; K193-F312 HydrophobicContact CD-CB 4.24Å; K193-F312 HydrophobicContact CG-CD2 4.36Å; K193-F312 PolarHBondContact NZ-O 3.46Å; K193-I314 HydrophobicContact CB-CD1 4.18Å; K193-I314 HydrophobicContact CD-CD1 4.26Å; K193-I314 HydrophobicContact CD-CG2 3.96Å
194I98.9Very high97.6Very high0 Ų028.5 Ų28.50%016%0.157CC..Hα-helixtrans-58.7-43.7177.2-71165.6000110.7F84 H87 F176 E190 C191 E197 I198 L382F84-I194 HydrophobicContact CD1-CG2 3.89Å; F84-I194 HydrophobicContact CE1-CG2 3.73Å; H87-I194 HydrophobicContact CB-CD1 3.92Å; H87-I194 HydrophobicContact CB-CG1 4.3Å; F176-I194 HydrophobicContact CD1-CD1 3.82Å; F176-I194 HydrophobicContact CD2-CD1 4.15Å; F176-I194 HydrophobicContact CE1-CD1 3.3Å; F176-I194 HydrophobicContact CE2-CD1 3.62Å; F176-I194 HydrophobicContact CG-CD1 4.23Å; F176-I194 HydrophobicContact CZ-CD1 3.18Å; E190-I194 HydrophobicContact CG-CD1 4.1Å; E190-I194 WeakPolarHBondContact O-CG1 3.23Å; E190-I194 PolarHBondContact O-N 3.42Å; C191-I194 PolarHBondContact O-N 3.02Å; I194-E197 PolarHBondContact O-N 3.28Å; I194-I198 HydrophobicContact CG2-CD1 3.7Å; I194-I198 HydrophobicContact CG2-CG1 4.45Å; I194-I198 WeakPolarHBondContact O-CB 3.46Å; I194-I198 VanDerWaalsContact O-CG1 3.29Å; I194-I198 WeakPolarHBondContact O-CG1 3.5Å; I194-I198 PolarHBondContact O-N 3.4Å; I194-L382 HydrophobicContact CB-CD2 3.98Å; I194-L382 HydrophobicContact CG2-CD2 3.84Å
195M98.8Very high97.2Very high0 Ų027 Ų270%015%0.154CC..Hα-helixtrans-58.9-49.8177.1-171.9174.3-62.800111.5C191 L192 K193 I198 L199 V209 Y336 A338 A358 L382C191-M195 PolarHBondContact O-N 3.27Å; L192-M195 WeakPolarHBondContact O-CB 3.19Å; L192-M195 PolarHBondContact O-N 3.46Å; K193-M195 VanDerWaalsContact C-N 3.29Å; K193-M195 PolarHBondContact O-N 2.86Å; M195-I198 PolarHBondContact O-N 3.48Å; M195-L199 HydrophobicContact CG-CD1 3.94Å; M195-L199 VanDerWaalsContact O-CG 3.27Å; M195-L199 WeakPolarHBondContact O-CG 3.19Å; M195-L199 PolarHBondContact O-N 3.03Å; M195-V209 HydrophobicContact SD-CG1 3.96Å; M195-V209 HydrophobicContact SD-CG2 4.25Å; M195-Y336 HydrophobicContact CE-CD2 3.51Å; M195-Y336 HydrophobicContact CE-CE2 3.57Å; M195-Y336 HydrophobicContact SD-CD2 4.4Å; M195-A338 HydrophobicContact CG-CB 4.3Å; M195-A338 HydrophobicContact SD-CB 3.68Å; M195-A358 HydrophobicContact CE-CB 3.81Å; M195-A358 HydrophobicContact CG-CB 4.01Å; M195-A358 HydrophobicContact SD-CB 3.81Å; M195-L382 HydrophobicContact CE-CB 3.82Å
196C98.6Very high96.9Very high4 Ų430.5 Ų30.53%0.02717%0.173CC..Hα-helixtrans-61.1-45.8177-68.90000112.2L192 K193 I198 L199 S200 F207 I314L192-C196 PolarHBondContact O-N 2.88Å; L192-C196 PolarHBondContact O-SG 3.37Å; L192-C196 VanDerWaalsContact O-SG 3.4Å; K193-C196 PolarHBondContact O-N 2.7Å; C196-I198 VanDerWaalsContact C-N 3.35Å; C196-I198 PolarHBondContact O-N 3.47Å; C196-L199 PolarHBondContact O-N 3.12Å; C196-S200 WeakPolarHBondContact O-CB 3.15Å; C196-S200 PolarHBondContact O-N 2.91Å; C196-S200 PolarHBondContact O-OG 2.93Å; C196-S200 VanDerWaalsContact O-OG 3.07Å; C196-F207 HydrophobicContact CB-CE2 4.3Å; C196-F207 HydrophobicContact CB-CZ 4.17Å; C196-I314 HydrophobicContact CB-CG2 4.08Å
197E98.8Very high96.7Very high40 Ų4026.7 Ų26.719%0.18715%0.154CC..Hα-helixtrans-59.5-44179.1-75.4-171.2-179.500112.5C83 R86 H87 K193 I194 S201C83-E197 PolarHBondContact SG-OE2 3.36Å; C83-E197 VanDerWaalsContact SG-OE2 3.41Å; R86-E197 IonicContact CZ-OE2 3Å; R86-E197 VanDerWaalsContact CZ-OE2 3.3Å; R86-E197 IonicContact NE-OE2 3.68Å; R86-E197 PolarHBondContact NE-OE2 3.33Å; R86-E197 VanDerWaalsContact NE-OE2 3.12Å; R86-E197 IonicContact NH2-OE2 3.85Å; R86-E197 PolarHBondContact NH2-OE2 3.29Å; H87-E197 IonicContact CD2-OE2 2.81Å; H87-E197 IonicContact NE2-OE1 3.41Å; H87-E197 IonicContact NE2-OE2 3.33Å; H87-E197 PolarHBondContact NE2-OE2 2.91Å; K193-E197 HydrophobicContact CD-CG 4.16Å; K193-E197 WeakPolarHBondContact CE-OE1 3.17Å; K193-E197 HydrophobicContact CG-CG 4.43Å; K193-E197 WeakPolarHBondContact O-CG 3.43Å; K193-E197 PolarHBondContact O-N 3.21Å; I194-E197 PolarHBondContact O-N 3.28Å; E197-S201 WeakPolarHBondContact O-CB 3.46Å; E197-S201 PolarHBondContact O-N 3.04Å; E197-S201 PolarHBondContact O-OG 3.26Å
198I98.6Very high96.6Very high0 Ų028.5 Ų28.50%016%0.163CC..Hα-helixtrans-64.1-52.9178.7-71.9170.3000110.2I80 C83 F84 I194 M195 C196 S200 S201 L202 I384I80-I198 HydrophobicContact CG1-CG2 3.79Å; I80-I198 HydrophobicContact CG2-CD1 4.23Å; C83-I198 HydrophobicContact CB-CD1 4.28Å; C83-I198 HydrophobicContact CB-CG1 3.71Å; F84-I198 HydrophobicContact CD1-CD1 4.1Å; F84-I198 HydrophobicContact CE1-CD1 3.51Å; F84-I198 HydrophobicContact CZ-CD1 4.09Å; I194-I198 HydrophobicContact CG2-CD1 3.7Å; I194-I198 HydrophobicContact CG2-CG1 4.45Å; I194-I198 WeakPolarHBondContact O-CB 3.46Å; I194-I198 VanDerWaalsContact O-CG1 3.29Å; I194-I198 WeakPolarHBondContact O-CG1 3.5Å; I194-I198 PolarHBondContact O-N 3.4Å; M195-I198 PolarHBondContact O-N 3.48Å; C196-I198 VanDerWaalsContact C-N 3.35Å; C196-I198 PolarHBondContact O-N 3.47Å; I198-S200 PolarHBondContact O-N 2.88Å; I198-S201 PolarHBondContact O-N 3.37Å; I198-L202 HydrophobicContact CG2-CD1 3.7Å; I198-L202 HydrophobicContact CG2-CG 4.39Å; I198-L202 VanDerWaalsContact O-CG 3.25Å; I198-L202 WeakPolarHBondContact O-CG 3.27Å; I198-L202 PolarHBondContact O-N 3.42Å; I198-I384 HydrophobicContact CD1-CD1 4.32Å; I198-I384 HydrophobicContact CD1-CG1 4.16Å; I198-I384 HydrophobicContact CG2-CD1 4.37Å; I198-I384 HydrophobicContact CG2-CG1 4.41Å
199L97.4Very high96.5Very high0 Ų028.5 Ų28.50%016%0.163CC..Hα-helixtrans-63.4-41.1-175.7-65174.9000111.7M195 C196 L202 I204 F207 A338 V357 I389M195-L199 HydrophobicContact CG-CD1 3.94Å; M195-L199 VanDerWaalsContact O-CG 3.27Å; M195-L199 WeakPolarHBondContact O-CG 3.19Å; M195-L199 PolarHBondContact O-N 3.03Å; C196-L199 PolarHBondContact O-N 3.12Å; L199-L202 PolarHBondContact O-N 3.2Å; L199-I204 HydrophobicContact CD2-CD1 3.97Å; L199-F207 HydrophobicContact CB-CD1 3.7Å; L199-F207 HydrophobicContact CB-CD2 4.24Å; L199-F207 HydrophobicContact CB-CE1 3.56Å; L199-F207 HydrophobicContact CB-CE2 4.13Å; L199-F207 HydrophobicContact CB-CG 4.04Å; L199-F207 HydrophobicContact CB-CZ 3.8Å; L199-F207 HydrophobicContact CD1-CB 4.48Å; L199-F207 HydrophobicContact CD1-CD1 4.48Å; L199-F207 HydrophobicContact CD1-CD2 3.68Å; L199-F207 HydrophobicContact CD1-CE2 3.97Å; L199-F207 HydrophobicContact CD1-CG 3.96Å; L199-F207 HydrophobicContact CD1-CZ 4.49Å; L199-A338 HydrophobicContact CD1-CB 3.52Å; L199-V357 HydrophobicContact CD1-CG2 4.36Å; L199-V357 HydrophobicContact CD2-CB 4.5Å; L199-V357 HydrophobicContact CD2-CG2 3.85Å; L199-I389 HydrophobicContact CD2-CD1 4.49Å
200S97.2Very high96.5Very high69 Ų6930.2 Ų30.248%0.48317%0.17SC..Hα-helixtrans-63.2-44.4173.1-64.50000112.3C196 I198 L202 Q203 F207C196-S200 WeakPolarHBondContact O-CB 3.15Å; C196-S200 PolarHBondContact O-N 2.91Å; C196-S200 PolarHBondContact O-OG 2.93Å; C196-S200 VanDerWaalsContact O-OG 3.07Å; I198-S200 PolarHBondContact O-N 2.88Å; S200-L202 VanDerWaalsContact C-N 3.28Å; S200-L202 PolarHBondContact O-N 3.38Å; S200-Q203 PolarHBondContact O-N 3.45Å; S200-F207 WeakPolarHBondContact OG-CE1 3.43Å
201S97.1Very high96.4Very high62 Ų6228.5 Ų28.543%0.43416%0.163SC..Hα-helixtrans-68.6-26-177.5-60.80000113.3E197 I198 Q203E197-S201 WeakPolarHBondContact O-CB 3.46Å; E197-S201 PolarHBondContact O-N 3.04Å; E197-S201 PolarHBondContact O-OG 3.26Å; I198-S201 PolarHBondContact O-N 3.37Å; S201-Q203 VanDerWaalsContact C-N 3.28Å
202L94.2Very high96.4Very high9 Ų928.6 Ų28.65%0.04716%0.163CC..Hα-helixtrans-75.6-16.8176.4-71167.5000113.1V76 V79 I198 L199 S200 I204 I389 R396V76-L202 HydrophobicContact CB-CD2 4.26Å; V76-L202 HydrophobicContact CG1-CD2 3.93Å; V76-L202 HydrophobicContact CG2-CD2 4.14Å; V79-L202 HydrophobicContact CB-CD2 3.96Å; V79-L202 HydrophobicContact CG1-CD2 3.92Å; V79-L202 HydrophobicContact CG1-CG 4.02Å; V79-L202 HydrophobicContact CG2-CD2 4.33Å; I198-L202 HydrophobicContact CG2-CD1 3.7Å; I198-L202 HydrophobicContact CG2-CG 4.39Å; I198-L202 VanDerWaalsContact O-CG 3.25Å; I198-L202 WeakPolarHBondContact O-CG 3.27Å; I198-L202 PolarHBondContact O-N 3.42Å; L199-L202 PolarHBondContact O-N 3.2Å; S200-L202 VanDerWaalsContact C-N 3.28Å; S200-L202 PolarHBondContact O-N 3.38Å; L202-I204 VanDerWaalsContact C-N 3.31Å; L202-I204 HydrophobicContact CB-CD1 4.37Å; L202-I204 HydrophobicContact CB-CG1 4.23Å; L202-I204 HydrophobicContact CB-CG2 3.98Å; L202-I204 HydrophobicContact CD1-CD1 4.42Å; L202-I204 PolarHBondContact O-N 3.08Å; L202-I389 HydrophobicContact CD1-CD1 3.89Å; L202-I389 HydrophobicContact CD1-CG2 3.81Å; L202-I389 HydrophobicContact CD2-CG2 4.31Å; L202-R396 PolarHBondContact O-NH1 3.35Å
203Q92.8Very high96.3Very high145 Ų14528.5 Ų28.568%0.67816%0.163SC*.THydrogen-bonded Turntrans56.939.5178.3-58.4177.7-26.800113.4S200 S201 G205 R396S200-Q203 PolarHBondContact O-N 3.45Å; S201-Q203 VanDerWaalsContact C-N 3.28Å; Q203-G205 VanDerWaalsContact C-N 3.3Å; Q203-G205 PolarHBondContact O-N 3.26Å; Q203-R396 VanDerWaalsContact C-NH1 3.27Å; Q203-R396 PolarHBondContact O-NH1 2.94Å
204I89.1Confident96Very high14 Ų1429.2 Ų29.27%0.07216%0.164CC..  trans-92.823.3-172.553.3175.3000113.8L199 L202 L340 I389 I392 V393L199-I204 HydrophobicContact CD2-CD1 3.97Å; L202-I204 VanDerWaalsContact C-N 3.31Å; L202-I204 HydrophobicContact CB-CD1 4.37Å; L202-I204 HydrophobicContact CB-CG1 4.23Å; L202-I204 HydrophobicContact CB-CG2 3.98Å; L202-I204 HydrophobicContact CD1-CD1 4.42Å; L202-I204 PolarHBondContact O-N 3.08Å; I204-L340 HydrophobicContact CD1-CD2 3.89Å; I204-L340 HydrophobicContact CG1-CD2 4Å; I204-I389 HydrophobicContact CD1-CD1 4.42Å; I204-I389 HydrophobicContact CD1-CG1 4.03Å; I204-I389 HydrophobicContact CG2-CG2 4.47Å; I204-I392 HydrophobicContact CB-CG2 4.01Å; I204-I392 HydrophobicContact CG2-CG2 3.94Å; I204-V393 HydrophobicContact CG2-CG2 3.85Å
205G89.9Confident95.9Very high42 Ų4231.3 Ų31.343%0.43317%0.172SC..SBendtrans96.7-176-171.700000112.3Q203Q203-G205 VanDerWaalsContact C-N 3.3Å; Q203-G205 PolarHBondContact O-N 3.26Å
206D92.3Very high95.8Very high79 Ų7931.3 Ų31.342%0.42217%0.172SC..  trans-79.2158.3175.9-158.212.5000110.9K317 L341D206-K317 IonicContact OD1-NZ 2.78Å; D206-K317 PolarHBondContact OD1-NZ 3.04Å; D206-K317 IonicContact OD2-NZ 3.17Å; D206-L341 HydrophobicContact CB-CB 4.31Å; D206-L341 HydrophobicContact CB-CD1 4.42Å; D206-L341 PolarHBondContact O-N 3.27Å
207F95.6Very high95.5Very high5 Ų531.2 Ų31.22%0.02217%0.171CC..EExtended strand (participates in β ladder)trans-147.5159.3-176.966.2-89.8000111.3C196 L199 S200 V209 K317 V339 L340C196-F207 HydrophobicContact CB-CE2 4.3Å; C196-F207 HydrophobicContact CB-CZ 4.17Å; L199-F207 HydrophobicContact CB-CD1 3.7Å; L199-F207 HydrophobicContact CB-CD2 4.24Å; L199-F207 HydrophobicContact CB-CE1 3.56Å; L199-F207 HydrophobicContact CB-CE2 4.13Å; L199-F207 HydrophobicContact CB-CG 4.04Å; L199-F207 HydrophobicContact CB-CZ 3.8Å; L199-F207 HydrophobicContact CD1-CB 4.48Å; L199-F207 HydrophobicContact CD1-CD1 4.48Å; L199-F207 HydrophobicContact CD1-CD2 3.68Å; L199-F207 HydrophobicContact CD1-CE2 3.97Å; L199-F207 HydrophobicContact CD1-CG 3.96Å; L199-F207 HydrophobicContact CD1-CZ 4.49Å; S200-F207 WeakPolarHBondContact OG-CE1 3.43Å; F207-V209 HydrophobicContact CD2-CG2 4.13Å; F207-V209 HydrophobicContact CE2-CG2 4.15Å; F207-K317 HydrophobicContact CE2-CB 4.44Å; F207-K317 HydrophobicContact CE2-CG 4.49Å; F207-V339 CarbonylContact C-O 3.57Å; F207-V339 VanDerWaalsContact CA-O 3.29Å; F207-V339 WeakPolarHBondContact CA-O 3.47Å; F207-V339 WeakPolarHBondContact CB-O 3.32Å; F207-L340 HydrophobicContact CB-CD2 4.01Å
208L96.1Very high95.2Very high46 Ų4631 Ų3124%0.24117%0.171CC..EExtended strand (participates in β ladder)trans-130137.9174.3-176.174.1000108.7A338 V339 L341L208-A338 WeakPolarHBondContact O-CA 3.22Å; L208-V339 HydrophobicContact CB-CG2 4.17Å; L208-V339 PolarHBondContact N-O 3.14Å; L208-V339 PolarHBondContact O-N 2.92Å; L208-L341 HydrophobicContact CB-CD1 4.26Å; L208-L341 HydrophobicContact CB-CD2 3.9Å; L208-L341 HydrophobicContact CB-CG 4.19Å
209V97.8Very high95Very high0 Ų031 Ų310%017%0.171CC..EExtended strand (participates in β ladder)trans-104111173.2-170.20000108.8L192 M195 F207 V211 K317 I318 S319 A338L192-V209 HydrophobicContact CD2-CG1 3.71Å; M195-V209 HydrophobicContact SD-CG1 3.96Å; M195-V209 HydrophobicContact SD-CG2 4.25Å; F207-V209 HydrophobicContact CD2-CG2 4.13Å; F207-V209 HydrophobicContact CE2-CG2 4.15Å; V209-V211 HydrophobicContact CG1-CG2 4.36Å; V209-K317 PolarHBondContact N-O 3.27Å; V209-I318 HydrophobicContact CB-CD1 3.69Å; V209-I318 HydrophobicContact CG1-CD1 4.27Å; V209-I318 HydrophobicContact CG2-CD1 4.17Å; V209-I318 WeakPolarHBondContact O-CA 3.36Å; V209-S319 PolarHBondContact O-N 3.08Å; V209-A338 HydrophobicContact CG2-CB 4.17Å
210K97Very high94.9Very high36 Ų3631 Ų3116%0.15717%0.171CC..EExtended strand (participates in β ladder)trans-74.8134.8170.1-61.8-177.5173.3-141.10108.6S319 D321 L324 Y336 E337K210-S319 CarbonylContact C-O 3.54Å; K210-S319 VanDerWaalsContact CA-O 3.28Å; K210-S319 WeakPolarHBondContact CA-O 3.15Å; K210-D321 HydrophobicContact CB-CB 4.28Å; K210-D321 HydrophobicContact CD-CB 4.45Å; K210-D321 WeakPolarHBondContact CD-OD2 3.39Å; K210-D321 WeakPolarHBondContact CE-OD2 3.44Å; K210-D321 HydrophobicContact CG-CB 4.36Å; K210-D321 IonicContact NZ-OD2 3.96Å; K210-D321 PolarHBondContact NZ-OD2 3.1Å; K210-L324 HydrophobicContact CB-CD2 3.98Å; K210-L324 WeakPolarHBondContact O-CD2 3.25Å; K210-Y336 CarbonylContact O-C 3.54Å; K210-Y336 WeakPolarHBondContact O-CA 3.4Å; K210-Y336 WeakPolarHBondContact O-CB 3.28Å; K210-E337 PolarHBondContact N-O 3.21Å; K210-E337 PolarHBondContact O-N 3.4Å
211V98.1Very high94.8Very high1 Ų127.8 Ų27.81%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-128.1144.1176.8177.90000108.7L192 V209 L302 L305 I318 S319 F320 D321 I335L192-V211 HydrophobicContact CD1-CG2 4.07Å; L192-V211 HydrophobicContact CD2-CG2 4.16Å; V209-V211 HydrophobicContact CG1-CG2 4.36Å; V211-L302 HydrophobicContact CG1-CD2 3.78Å; V211-L305 HydrophobicContact CG1-CD2 4.24Å; V211-I318 HydrophobicContact CB-CG2 4.15Å; V211-I318 HydrophobicContact CG2-CG2 3.54Å; V211-S319 PolarHBondContact N-O 2.99Å; V211-F320 WeakPolarHBondContact O-CA 3.46Å; V211-F320 WeakPolarHBondContact O-CD2 3.43Å; V211-D321 PolarHBondContact O-N 3.45Å; V211-I335 CarbonylContact C-O 3.51Å; V211-I335 WeakPolarHBondContact CA-O 3.3Å
212N97.5Very high94.7Very high1 Ų127.4 Ų27.41%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-149.5179169.1-162.61.6000109L217 L322 L324 V334 I335N212-L217 WeakPolarHBondContact ND2-CD2 3.33Å; N212-L217 WeakPolarHBondContact ND2-CG 3.4Å; N212-L322 PolarHBondContact ND2-O 3.48Å; N212-L324 HydrophobicContact CB-CB 4.03Å; N212-L324 HydrophobicContact CB-CD2 4.29Å; N212-L324 HydrophobicContact CB-CG 4.41Å; N212-L324 WeakPolarHBondContact CB-O 3.39Å; N212-L324 PolarHBondContact ND2-O 3.31Å; N212-V334 CarbonylContact O-C 3.58Å; N212-V334 WeakPolarHBondContact O-CA 3.33Å; N212-I335 PolarHBondContact N-O 3.24Å; N212-I335 PolarHBondContact O-N 2.93Å; N212-I335 VanDerWaalsContact O-O 3.13Å
213D97.2Very high94.8Very high0 Ų029.1 Ų29.10%016%0.158CC..EExtended strand (participates in β ladder)trans-131.3137.6172.1-170.4-71.8000111R215 I216 L217 L302 G333 V334D213-R215 VanDerWaalsContact C-N 3.26Å; D213-R215 PolarHBondContact O-N 2.89Å; D213-R215 VanDerWaalsContact OD1-CB 3.23Å; D213-R215 WeakPolarHBondContact OD1-CB 3.41Å; D213-R215 IonicContact OD1-CZ 2.64Å; D213-R215 PolarHBondContact OD1-N 3.4Å; D213-R215 IonicContact OD1-NE 3.1Å; D213-R215 PolarHBondContact OD1-NE 2.64Å; D213-R215 IonicContact OD1-NH2 3.97Å; D213-R215 IonicContact OD2-CZ 3.85Å; D213-R215 IonicContact OD2-NE 3.6Å; D213-R215 IonicContact OD2-NH2 2.81Å; D213-R215 PolarHBondContact OD2-NH2 3.2Å; D213-I216 HydrophobicContact CB-CB 4.43Å; D213-I216 HydrophobicContact CB-CD1 3.78Å; D213-I216 HydrophobicContact CB-CG1 3.94Å; D213-I216 WeakPolarHBondContact O-CB 3.41Å; D213-I216 PolarHBondContact O-N 3.27Å; D213-I216 VanDerWaalsContact O-N 3.1Å; D213-L217 PolarHBondContact O-N 2.86Å; D213-L302 HydrophobicContact CB-CD1 4.45Å; D213-L302 HydrophobicContact CB-CG 4.37Å; D213-G333 VanDerWaalsContact CG-C 3.47Å; D213-G333 WeakPolarHBondContact OD2-CA 3.31Å; D213-V334 PolarHBondContact OD2-N 3.36Å; D213-V334 VanDerWaalsContact OD2-N 3.12Å
214R94.1Very high94.9Very high61 Ų6122.3 Ų22.323%0.2313%0.126CC..Hα-helixtrans-54.6-41.4179.6175.761.7-157.2-167.9-5.9112.9I216 L217 D218 F231 G333 I335R214-I216 VanDerWaalsContact C-N 3.3Å; R214-I216 PolarHBondContact O-N 3.05Å; R214-L217 WeakPolarHBondContact O-CB 3.26Å; R214-L217 PolarHBondContact O-N 3.44Å; R214-D218 IonicContact CZ-OD1 2.55Å; R214-D218 IonicContact CZ-OD2 2.8Å; R214-D218 IonicContact NE-OD1 3.59Å; R214-D218 PolarHBondContact NE-OD1 2.93Å; R214-D218 IonicContact NE-OD2 2.85Å; R214-D218 PolarHBondContact NE-OD2 3.5Å; R214-D218 IonicContact NH2-OD1 2.96Å; R214-D218 PolarHBondContact NH2-OD1 3.01Å; R214-D218 IonicContact NH2-OD2 3.04Å; R214-D218 PolarHBondContact O-N 3.25Å; R214-F231 VanDerWaalsContact CZ-CZ 3.41Å; R214-G333 WeakPolarHBondContact CB-O 3.5Å; R214-G333 PolarHBondContact N-O 3.1Å; R214-I335 HydrophobicContact CB-CD1 4.27Å
215R95.3Very high95.2Very high44 Ų4423.8 Ų23.817%0.16615%0.145CC..Hα-helixtrans-70-29.2-178.3-61.4165.8-72.1-180-6.3111.8D213 G219 Q294 D301D213-R215 VanDerWaalsContact C-N 3.26Å; D213-R215 PolarHBondContact O-N 2.89Å; D213-R215 VanDerWaalsContact OD1-CB 3.23Å; D213-R215 WeakPolarHBondContact OD1-CB 3.41Å; D213-R215 IonicContact OD1-CZ 2.64Å; D213-R215 PolarHBondContact OD1-N 3.4Å; D213-R215 IonicContact OD1-NE 3.1Å; D213-R215 PolarHBondContact OD1-NE 2.64Å; D213-R215 IonicContact OD1-NH2 3.97Å; D213-R215 IonicContact OD2-CZ 3.85Å; D213-R215 IonicContact OD2-NE 3.6Å; D213-R215 IonicContact OD2-NH2 2.81Å; D213-R215 PolarHBondContact OD2-NH2 3.2Å; R215-G219 PolarHBondContact O-N 3.43Å; R215-Q294 HydrophobicContact CB-CB 4.12Å; R215-Q294 VanDerWaalsContact CB-O 3.31Å; R215-Q294 WeakPolarHBondContact CB-O 3.33Å; R215-D301 IonicContact CZ-OD2 2.75Å; R215-D301 IonicContact NH1-OD2 3.48Å; R215-D301 PolarHBondContact NH1-OD2 3.49Å; R215-D301 IonicContact NH2-OD2 3.63Å; R215-D301 PolarHBondContact NH2-OD2 2.94Å
216I96.6Very high95.4Very high0 Ų022.3 Ų22.30%013%0.128CC..Hα-helixtrans-67.7-45.8172.6-61.7173.6000109.6D213 R214 G219 M220 L299 L302 F320D213-I216 HydrophobicContact CB-CB 4.43Å; D213-I216 HydrophobicContact CB-CD1 3.78Å; D213-I216 HydrophobicContact CB-CG1 3.94Å; D213-I216 WeakPolarHBondContact O-CB 3.41Å; D213-I216 PolarHBondContact O-N 3.27Å; D213-I216 VanDerWaalsContact O-N 3.1Å; R214-I216 VanDerWaalsContact C-N 3.3Å; R214-I216 PolarHBondContact O-N 3.05Å; I216-G219 PolarHBondContact O-N 2.94Å; I216-M220 WeakPolarHBondContact O-CB 3.46Å; I216-M220 PolarHBondContact O-N 3.28Å; I216-L299 HydrophobicContact CD1-CD2 3.8Å; I216-L299 HydrophobicContact CD1-CG 3.94Å; I216-L299 HydrophobicContact CG1-CD2 4.48Å; I216-L299 HydrophobicContact CG1-CG 4.16Å; I216-L302 HydrophobicContact CD1-CD1 3.43Å; I216-L302 VanDerWaalsContact CD1-CD1 3.43Å; I216-L302 HydrophobicContact CD1-CG 4.12Å; I216-F320 HydrophobicContact CD1-CE2 4.2Å; I216-F320 HydrophobicContact CD1-CZ 3.96Å
217L93.5Very high95.4Very high1 Ų121.2 Ų21.21%0.00513%0.126CC..Hα-helixtrans-60.2-47.6175.4-69.6166.7000112N212 D213 R214 M220 F221 F231 A325N212-L217 WeakPolarHBondContact ND2-CD2 3.33Å; N212-L217 WeakPolarHBondContact ND2-CG 3.4Å; D213-L217 PolarHBondContact O-N 2.86Å; R214-L217 WeakPolarHBondContact O-CB 3.26Å; R214-L217 PolarHBondContact O-N 3.44Å; L217-M220 HydrophobicContact CD2-CE 4.11Å; L217-M220 PolarHBondContact O-N 2.97Å; L217-F221 WeakPolarHBondContact O-CB 3.41Å; L217-F221 PolarHBondContact O-N 3.47Å; L217-F231 HydrophobicContact CB-CZ 4.46Å; L217-A325 HydrophobicContact CD1-CB 4.02Å; L217-A325 HydrophobicContact CD2-CB 4.27Å
218D91.7Very high95Very high36 Ų3628 Ų2819%0.19316%0.162CC..Hα-helixtrans-57.1-50.8176.7-72.7-34.1000111.1R214 A222 F231R214-D218 IonicContact CZ-OD1 2.55Å; R214-D218 IonicContact CZ-OD2 2.8Å; R214-D218 IonicContact NE-OD1 3.59Å; R214-D218 PolarHBondContact NE-OD1 2.93Å; R214-D218 IonicContact NE-OD2 2.85Å; R214-D218 PolarHBondContact NE-OD2 3.5Å; R214-D218 IonicContact NH2-OD1 2.96Å; R214-D218 PolarHBondContact NH2-OD1 3.01Å; R214-D218 IonicContact NH2-OD2 3.04Å; R214-D218 PolarHBondContact O-N 3.25Å; D218-A222 WeakPolarHBondContact O-CB 3.45Å; D218-A222 PolarHBondContact O-N 3.4Å; D218-A222 VanDerWaalsContact O-N 3.12Å; D218-F231 HydrophobicContact CB-CE2 4.34Å; D218-F231 WeakPolarHBondContact OD1-CE2 3.42Å; D218-F231 WeakPolarHBondContact OD1-CZ 3.43Å
219G94.6Very high94.6Very high0 Ų030.8 Ų30.80%019%0.186CC..Hα-helixtrans-67.3-40.6-18000000113.8R215 I216 A222 I223 N292R215-G219 PolarHBondContact O-N 3.43Å; I216-G219 PolarHBondContact O-N 2.94Å; G219-A222 PolarHBondContact O-N 2.84Å; G219-I223 WeakPolarHBondContact O-CG1 3.14Å; G219-I223 PolarHBondContact O-N 2.98Å; G219-N292 VanDerWaalsContact CA-CG 3.47Å; G219-N292 WeakPolarHBondContact CA-ND2 3.46Å; G219-N292 WeakPolarHBondContact CA-OD1 3.39Å
220M95.9Very high94.2Very high1 Ų133.9 Ų33.91%0.00520%0.199CC..Hα-helixtrans-61.2-49.6177.3179.9-169.275.900111.2I216 L217 A222 I223 C224 Y270 V271 L289 L322I216-M220 WeakPolarHBondContact O-CB 3.46Å; I216-M220 PolarHBondContact O-N 3.28Å; L217-M220 HydrophobicContact CD2-CE 4.11Å; L217-M220 PolarHBondContact O-N 2.97Å; M220-A222 VanDerWaalsContact C-N 3.31Å; M220-A222 PolarHBondContact O-N 2.93Å; M220-I223 WeakPolarHBondContact O-CG1 3.47Å; M220-I223 PolarHBondContact O-N 3.46Å; M220-C224 WeakPolarHBondContact O-CB 3.38Å; M220-C224 PolarHBondContact O-N 3.3Å; M220-C224 PolarHBondContact O-SG 2.88Å; M220-Y270 HydrophobicContact CG-CD2 3.92Å; M220-Y270 HydrophobicContact CG-CG 3.89Å; M220-Y270 WeakPolarHBondContact SD-CB 3.21Å; M220-Y270 HydrophobicContact SD-CG 4.04Å; M220-V271 HydrophobicContact CE-CG1 3.58Å; M220-V271 HydrophobicContact SD-CG1 4.11Å; M220-L289 HydrophobicContact CB-CD1 4.14Å; M220-L322 HydrophobicContact SD-CD2 3.91Å
221F94.9Very high93.7Very high1 Ų133.1 Ų33.10%0.00420%0.196CC..Hα-helixtrans-63.5-37.6178-76.1-2.9000112.4L217 C224 G225 V226 F231 I234 C235 V238 I267L217-F221 WeakPolarHBondContact O-CB 3.41Å; L217-F221 PolarHBondContact O-N 3.47Å; F221-C224 PolarHBondContact O-N 3.11Å; F221-G225 PolarHBondContact O-N 3.44Å; F221-G225 VanDerWaalsContact O-N 3.13Å; F221-V226 HydrophobicContact CB-CB 3.96Å; F221-V226 HydrophobicContact CB-CG2 3.94Å; F221-V226 HydrophobicContact CD1-CG2 4.5Å; F221-V226 HydrophobicContact CG-CG2 4.19Å; F221-V226 WeakPolarHBondContact O-CB 3.35Å; F221-V226 PolarHBondContact O-N 2.68Å; F221-F231 HydrophobicContact CB-CD2 4.17Å; F221-F231 HydrophobicContact CB-CE2 4.05Å; F221-F231 AromaticContact CD2-CD2 3.62Å; F221-F231 HydrophobicContact CD2-CD2 3.62Å; F221-F231 AromaticContact CD2-CE2 3.25Å; F221-F231 HydrophobicContact CD2-CE2 3.25Å; F221-F231 HydrophobicContact CD2-CG 4.47Å; F221-F231 AromaticContact CD2-CZ 3.84Å; F221-F231 HydrophobicContact CD2-CZ 3.84Å; F221-F231 AromaticContact CE2-CE2 3.98Å; F221-F231 HydrophobicContact CE2-CE2 3.98Å; F221-F231 HydrophobicContact CE2-CZ 4.09Å; F221-F231 HydrophobicContact CG-CD2 4.4Å; F221-F231 HydrophobicContact CG-CE2 4.03Å; F221-I234 HydrophobicContact CD2-CG2 4.22Å; F221-I234 HydrophobicContact CE1-CG2 4.12Å; F221-I234 HydrophobicContact CE2-CB 4.14Å; F221-I234 HydrophobicContact CE2-CG2 3.72Å; F221-I234 HydrophobicContact CZ-CG2 3.7Å; F221-C235 HydrophobicContact CE2-CB 4.32Å; F221-C235 WeakPolarHBondContact CE2-SG 3.36Å; F221-V238 HydrophobicContact CE1-CG2 4.17Å; F221-V238 HydrophobicContact CZ-CB 4.4Å; F221-V238 HydrophobicContact CZ-CG2 3.81Å; F221-I267 HydrophobicContact CD1-CD1 4.38Å; F221-I267 HydrophobicContact CD1-CG1 4.31Å; F221-I267 HydrophobicContact CE1-CD1 4.43Å; F221-I267 HydrophobicContact CE1-CG1 4.47Å; F221-I267 HydrophobicContact CE1-CG2 4.03Å
222A94.3Very high93.1Very high53 Ų5340.7 Ų40.744%0.43822%0.224SC..Hα-helixtrans-61-47.2175.200000112D218 G219 M220 C224 G225D218-A222 WeakPolarHBondContact O-CB 3.45Å; D218-A222 PolarHBondContact O-N 3.4Å; D218-A222 VanDerWaalsContact O-N 3.12Å; G219-A222 PolarHBondContact O-N 2.84Å; M220-A222 VanDerWaalsContact C-N 3.31Å; M220-A222 PolarHBondContact O-N 2.93Å; A222-C224 VanDerWaalsContact C-N 3.31Å; A222-C224 PolarHBondContact O-N 3.33Å; A222-G225 PolarHBondContact O-N 2.91Å; A222-G225 VanDerWaalsContact O-N 3.16Å
223I95.9Very high92.6Very high46 Ų4643.4 Ų43.424%0.23624%0.241CC..Hα-helixtrans-70.7-25.917964.7159.5000113.1G219 M220 G225 Y270 K288 L289 N292G219-I223 WeakPolarHBondContact O-CG1 3.14Å; G219-I223 PolarHBondContact O-N 2.98Å; M220-I223 WeakPolarHBondContact O-CG1 3.47Å; M220-I223 PolarHBondContact O-N 3.46Å; I223-G225 VanDerWaalsContact C-N 3.28Å; I223-Y270 HydrophobicContact CD1-CE2 3.95Å; I223-K288 HydrophobicContact CD1-CB 3.8Å; I223-L289 HydrophobicContact CD1-CB 3.98Å; I223-L289 HydrophobicContact CD1-CD1 3.62Å; I223-L289 HydrophobicContact CD1-CG 4.41Å; I223-L289 HydrophobicContact CG1-CD1 4.25Å; I223-N292 HydrophobicContact CG2-CB 4.17Å
224C95.9Very high92.4Very high1 Ų143.4 Ų43.41%0.00724%0.241CC..Hα-helixtrans-74.9-20174.1-67.20000112M220 F221 A222 V263 R266 I267M220-C224 WeakPolarHBondContact O-CB 3.38Å; M220-C224 PolarHBondContact O-N 3.3Å; M220-C224 PolarHBondContact O-SG 2.88Å; F221-C224 PolarHBondContact O-N 3.11Å; A222-C224 VanDerWaalsContact C-N 3.31Å; A222-C224 PolarHBondContact O-N 3.33Å; C224-V263 WeakPolarHBondContact O-CG1 3.34Å; C224-R266 HydrophobicContact CB-CB 4.17Å; C224-R266 VanDerWaalsContact O-CZ 3.29Å; C224-R266 PolarHBondContact O-NE 3.1Å; C224-R266 PolarHBondContact O-NH2 3.43Å; C224-R266 PolarHBondContact SG-O 3.07Å; C224-I267 HydrophobicContact CB-CG1 3.77Å
225G94.7Very high92.1Very high46 Ų4641 Ų4147%0.47423%0.233SC..THydrogen-bonded Turntrans98.524.8178.300000114.4F221 A222 I223F221-G225 PolarHBondContact O-N 3.44Å; F221-G225 VanDerWaalsContact O-N 3.13Å; A222-G225 PolarHBondContact O-N 2.91Å; A222-G225 VanDerWaalsContact O-N 3.16Å; I223-G225 VanDerWaalsContact C-N 3.28Å
226V93.9Very high91.7Very high11 Ų1141.9 Ų41.97%0.06725%0.246CC..  trans-76.9132.3171.1-175.90000109F221 K230 I234 L259 V263 I267F221-V226 HydrophobicContact CB-CB 3.96Å; F221-V226 HydrophobicContact CB-CG2 3.94Å; F221-V226 HydrophobicContact CD1-CG2 4.5Å; F221-V226 HydrophobicContact CG-CG2 4.19Å; F221-V226 WeakPolarHBondContact O-CB 3.35Å; F221-V226 PolarHBondContact O-N 2.68Å; V226-K230 HydrophobicContact CG1-CB 4.22Å; V226-I234 HydrophobicContact CG1-CB 4.36Å; V226-I234 HydrophobicContact CG1-CG1 3.91Å; V226-L259 HydrophobicContact CG2-CD1 4.38Å; V226-V263 HydrophobicContact CG2-CG1 3.92Å; V226-I267 HydrophobicContact CG2-CD1 3.65Å; V226-I267 HydrophobicContact CG2-CG1 4.44Å
227S91.7Very high91.5Very high56 Ų5641.9 Ų41.939%0.39225%0.246SC..  trans-75.7146174.162.80000111.7S229 K230 F231S227-S229 PolarHBondContact O-N 3.04Å; S227-S229 PolarHBondContact OG-OG 3.01Å; S227-S229 VanDerWaalsContact OG-OG 3.12Å; S227-K230 PolarHBondContact O-N 3.38Å; S227-F231 PolarHBondContact O-N 3.24Å
228D87.3Confident91.3Very high147 Ų14741.9 Ų41.979%0.78625%0.246SC*.G310 helixtrans-51.3-37.2179.4-60.1-8.9000113.3K230 F231D228-K230 PolarHBondContact O-N 2.91Å; D228-F231 VanDerWaalsContact O-CB 3.26Å; D228-F231 WeakPolarHBondContact O-CB 3.44Å; D228-F231 PolarHBondContact O-N 2.9Å
229S88.9Confident91.1Very high105 Ų10541.8 Ų41.873%0.73425%0.246SC*.G310 helixtrans-63.4-25.5177.858.90000114.4S227S227-S229 PolarHBondContact O-N 3.04Å; S227-S229 PolarHBondContact OG-OG 3.01Å; S227-S229 VanDerWaalsContact OG-OG 3.12Å
230K89Confident90.8Very high64 Ų6445.4 Ų45.428%0.27826%0.262SS..G310 helixtrans-100.6-5.9179.2-65.9-169.4-179-161.30112.5V226 S227 D228 R232 T233 I234 K257 G258V226-K230 HydrophobicContact CG1-CB 4.22Å; S227-K230 PolarHBondContact O-N 3.38Å; D228-K230 PolarHBondContact O-N 2.91Å; K230-R232 VanDerWaalsContact C-N 3.31Å; K230-R232 PolarHBondContact O-N 3.24Å; K230-T233 PolarHBondContact O-N 3.15Å; K230-T233 VanDerWaalsContact O-N 3.16Å; K230-T233 PolarHBondContact O-OG1 3.19Å; K230-I234 HydrophobicContact CB-CG1 4.26Å; K230-I234 WeakPolarHBondContact O-CG1 3.48Å; K230-I234 PolarHBondContact O-N 2.79Å; K230-K257 PolarHBondContact NZ-O 3.45Å; K230-G258 PolarHBondContact NZ-O 2.94Å
231F87.2Confident90.3Very high20 Ų2047 Ų479%0.08827%0.27CS..Hα-helixtrans-49.5-51.8-175.1179.6-77.2000112.2R214 L217 D218 F221 S227 D228 T233 I234 C235R214-F231 VanDerWaalsContact CZ-CZ 3.41Å; L217-F231 HydrophobicContact CB-CZ 4.46Å; D218-F231 HydrophobicContact CB-CE2 4.34Å; D218-F231 WeakPolarHBondContact OD1-CE2 3.42Å; D218-F231 WeakPolarHBondContact OD1-CZ 3.43Å; F221-F231 HydrophobicContact CB-CD2 4.17Å; F221-F231 HydrophobicContact CB-CE2 4.05Å; F221-F231 AromaticContact CD2-CD2 3.62Å; F221-F231 HydrophobicContact CD2-CD2 3.62Å; F221-F231 AromaticContact CD2-CE2 3.25Å; F221-F231 HydrophobicContact CD2-CE2 3.25Å; F221-F231 HydrophobicContact CD2-CG 4.47Å; F221-F231 AromaticContact CD2-CZ 3.84Å; F221-F231 HydrophobicContact CD2-CZ 3.84Å; F221-F231 AromaticContact CE2-CE2 3.98Å; F221-F231 HydrophobicContact CE2-CE2 3.98Å; F221-F231 HydrophobicContact CE2-CZ 4.09Å; F221-F231 HydrophobicContact CG-CD2 4.4Å; F221-F231 HydrophobicContact CG-CE2 4.03Å; S227-F231 PolarHBondContact O-N 3.24Å; D228-F231 VanDerWaalsContact O-CB 3.26Å; D228-F231 WeakPolarHBondContact O-CB 3.44Å; D228-F231 PolarHBondContact O-N 2.9Å; F231-T233 PolarHBondContact O-N 3.28Å; F231-I234 PolarHBondContact O-N 2.9Å; F231-C235 HydrophobicContact CE1-CB 4.17Å; F231-C235 WeakPolarHBondContact CE1-SG 2.98Å; F231-C235 WeakPolarHBondContact CZ-SG 3.39Å; F231-C235 PolarHBondContact O-N 2.5Å
232R84.3Confident89.7Confident160 Ų16049.8 Ų49.860%0.60429%0.285SS*.Hα-helixtrans-64.7-43.2-176.4-65.6-174.9-178.7-152.8-7.4112.2K230 I234 C235 S236 D329K230-R232 VanDerWaalsContact C-N 3.31Å; K230-R232 PolarHBondContact O-N 3.24Å; R232-I234 VanDerWaalsContact C-N 3.32Å; R232-I234 PolarHBondContact O-N 2.86Å; R232-C235 PolarHBondContact O-N 2.9Å; R232-S236 PolarHBondContact O-N 2.76Å; R232-D329 IonicContact CZ-OD2 2.81Å; R232-D329 IonicContact NH1-OD1 3.81Å; R232-D329 IonicContact NH1-OD2 2.65Å; R232-D329 PolarHBondContact NH1-OD2 3.17Å; R232-D329 IonicContact NH2-OD2 3.79Å
233T88.1Confident89.1Confident59 Ų5954.1 Ų54.136%0.36229%0.294SS..Hα-helixtrans-68.2-36.5-178.859.80000110.6K230 F231 S236 S237 K257K230-T233 PolarHBondContact O-N 3.15Å; K230-T233 VanDerWaalsContact O-N 3.16Å; K230-T233 PolarHBondContact O-OG1 3.19Å; F231-T233 PolarHBondContact O-N 3.28Å; T233-S236 WeakPolarHBondContact O-CB 3.46Å; T233-S236 PolarHBondContact O-N 2.68Å; T233-S237 PolarHBondContact O-N 3.22Å; T233-K257 PolarHBondContact O-NZ 3.15Å
234I91.7Very high88.8Confident0 Ų054.2 Ų54.20%030%0.297CS..Hα-helixtrans-69.7-41.8174.9-61.3-48.4000111.9F221 V226 K230 F231 R232 S236 S237 V238 M253 K257 L259 I267F221-I234 HydrophobicContact CD2-CG2 4.22Å; F221-I234 HydrophobicContact CE1-CG2 4.12Å; F221-I234 HydrophobicContact CE2-CB 4.14Å; F221-I234 HydrophobicContact CE2-CG2 3.72Å; F221-I234 HydrophobicContact CZ-CG2 3.7Å; V226-I234 HydrophobicContact CG1-CB 4.36Å; V226-I234 HydrophobicContact CG1-CG1 3.91Å; K230-I234 HydrophobicContact CB-CG1 4.26Å; K230-I234 WeakPolarHBondContact O-CG1 3.48Å; K230-I234 PolarHBondContact O-N 2.79Å; F231-I234 PolarHBondContact O-N 2.9Å; R232-I234 VanDerWaalsContact C-N 3.32Å; R232-I234 PolarHBondContact O-N 2.86Å; I234-S236 VanDerWaalsContact C-N 3.25Å; I234-S236 PolarHBondContact O-N 2.78Å; I234-S237 WeakPolarHBondContact O-CA 3.46Å; I234-S237 WeakPolarHBondContact O-CB 3.26Å; I234-S237 PolarHBondContact O-N 3.04Å; I234-V238 HydrophobicContact CG2-CG2 4.48Å; I234-V238 PolarHBondContact O-N 2.82Å; I234-M253 HydrophobicContact CD1-CB 4.35Å; I234-M253 HydrophobicContact CD1-CG 4.04Å; I234-M253 HydrophobicContact CD1-SD 4.3Å; I234-M253 HydrophobicContact CG2-SD 3.86Å; I234-K257 HydrophobicContact CD1-CB 4.15Å; I234-K257 HydrophobicContact CD1-CD 4.13Å; I234-L259 HydrophobicContact CD1-CB 4.39Å; I234-L259 HydrophobicContact CD1-CD1 4.31Å; I234-L259 HydrophobicContact CD1-CD2 3.92Å; I234-L259 HydrophobicContact CD1-CG 4.45Å; I234-L259 HydrophobicContact CG1-CD1 4.44Å; I234-L259 HydrophobicContact CG1-CD2 4.4Å; I234-I267 HydrophobicContact CG2-CD1 4.01Å
235C89.1Confident88.6Confident9 Ų956.6 Ų56.66%0.06131%0.313CS..Hα-helixtrans-54.1-44.1171-92.80000111.9F221 F231 R232 S237 V238 D239 A325F221-C235 HydrophobicContact CE2-CB 4.32Å; F221-C235 WeakPolarHBondContact CE2-SG 3.36Å; F231-C235 HydrophobicContact CE1-CB 4.17Å; F231-C235 WeakPolarHBondContact CE1-SG 2.98Å; F231-C235 WeakPolarHBondContact CZ-SG 3.39Å; F231-C235 PolarHBondContact O-N 2.5Å; R232-C235 PolarHBondContact O-N 2.9Å; C235-S237 VanDerWaalsContact C-N 3.26Å; C235-S237 PolarHBondContact O-N 2.78Å; C235-V238 PolarHBondContact O-N 3.3Å; C235-D239 PolarHBondContact O-N 2.91Å; C235-A325 HydrophobicContact CB-CB 4.31Å
236S87.4Confident88.6Confident63 Ų6355.5 Ų55.544%0.44130%0.295SS..Hα-helixtrans-63.6-28.3176.9171.90000113.5R232 T233 I234R232-S236 PolarHBondContact O-N 2.76Å; T233-S236 WeakPolarHBondContact O-CB 3.46Å; T233-S236 PolarHBondContact O-N 2.68Å; I234-S236 VanDerWaalsContact C-N 3.25Å; I234-S236 PolarHBondContact O-N 2.78Å
237S90.8Very high88.7Confident0 Ų060.4 Ų60.40%032%0.317CS..Hα-helixtrans-71.4-49.1169.7-78.60000111.2T233 I234 C235 D239 K240 V249 E252 K257T233-S237 PolarHBondContact O-N 3.22Å; I234-S237 WeakPolarHBondContact O-CA 3.46Å; I234-S237 WeakPolarHBondContact O-CB 3.26Å; I234-S237 PolarHBondContact O-N 3.04Å; C235-S237 VanDerWaalsContact C-N 3.26Å; C235-S237 PolarHBondContact O-N 2.78Å; S237-D239 VanDerWaalsContact C-N 3.3Å; S237-D239 PolarHBondContact O-N 2.81Å; S237-K240 WeakPolarHBondContact O-CB 3.2Å; S237-K240 PolarHBondContact O-N 3.12Å; S237-V249 WeakPolarHBondContact O-CG1 3.15Å; S237-E252 PolarHBondContact OG-OE1 2.85Å; S237-K257 WeakPolarHBondContact OG-CD 3.31Å; S237-K257 VanDerWaalsContact OG-CE 3.29Å; S237-K257 WeakPolarHBondContact OG-CE 3.26Å; S237-K257 PolarHBondContact OG-NZ 3.11Å
238V91.1Very high88.8Confident1 Ų163.2 Ų63.21%0.00632%0.324CS..Hα-helixtrans-62.6-36.2-176.7174.20000111.8F221 I234 C235 K240 L241 M253 I267 V271 A325F221-V238 HydrophobicContact CE1-CG2 4.17Å; F221-V238 HydrophobicContact CZ-CB 4.4Å; F221-V238 HydrophobicContact CZ-CG2 3.81Å; I234-V238 HydrophobicContact CG2-CG2 4.48Å; I234-V238 PolarHBondContact O-N 2.82Å; C235-V238 PolarHBondContact O-N 3.3Å; V238-K240 PolarHBondContact O-N 3.2Å; V238-K240 VanDerWaalsContact O-N 3.07Å; V238-L241 WeakPolarHBondContact O-CB 3.49Å; V238-L241 PolarHBondContact O-N 2.84Å; V238-M253 HydrophobicContact CG2-SD 4.49Å; V238-I267 HydrophobicContact CG2-CG2 4.26Å; V238-V271 HydrophobicContact CG1-CB 4.15Å; V238-V271 HydrophobicContact CG1-CG1 3.82Å; V238-V271 HydrophobicContact CG2-CG1 4.27Å; V238-A325 HydrophobicContact CB-CB 4.45Å; V238-A325 HydrophobicContact CG1-CB 4.32Å
239D86.3Confident89.2Confident34 Ų3456.3 Ų56.318%0.18229%0.287CS..G310 helixtrans-58.5-23.3175.5-172.363.9000113.4C235 S237 L241 R326C235-D239 PolarHBondContact O-N 2.91Å; S237-D239 VanDerWaalsContact C-N 3.3Å; S237-D239 PolarHBondContact O-N 2.81Å; D239-L241 PolarHBondContact O-N 2.55Å; D239-R326 VanDerWaalsContact OD1-CA 3.24Å; D239-R326 WeakPolarHBondContact OD1-CA 3.44Å; D239-R326 WeakPolarHBondContact OD1-CB 3.45Å; D239-R326 WeakPolarHBondContact OD1-CG 3.28Å; D239-R326 PolarHBondContact OD1-N 2.64Å; D239-R326 IonicContact OD2-NE 3.12Å; D239-R326 IonicContact OD2-NH2 3.39Å; D239-R326 PolarHBondContact OD2-NH2 2.82Å
240K87.8Confident89.5Confident76 Ų7653.6 Ų53.633%0.3326%0.262SS..G310 helixtrans-75.8-12.6178.9-60.9172.8-178176.70112.8S237 V238 D242 K243 V244 V249 E252S237-K240 WeakPolarHBondContact O-CB 3.2Å; S237-K240 PolarHBondContact O-N 3.12Å; V238-K240 PolarHBondContact O-N 3.2Å; V238-K240 VanDerWaalsContact O-N 3.07Å; K240-D242 PolarHBondContact O-N 3.36Å; K240-K243 PolarHBondContact O-N 3.41Å; K240-V244 HydrophobicContact CB-CG2 3.89Å; K240-V244 WeakPolarHBondContact O-CG2 3.23Å; K240-V244 PolarHBondContact O-N 2.97Å; K240-V249 HydrophobicContact CB-CG2 4.42Å; K240-E252 WeakPolarHBondContact CD-OE2 3.35Å; K240-E252 IonicContact NZ-OE1 2.7Å; K240-E252 PolarHBondContact NZ-OE1 3.38Å; K240-E252 IonicContact NZ-OE2 2.66Å; K240-E252 PolarHBondContact NZ-OE2 3.49Å
241L86.9Confident89.8Confident35 Ų3555.9 Ų55.918%0.18328%0.277CS..G310 helixtrans-63.2-14.4-178.8-156.168.6000112.4V238 D239 K243 W246 V249 V271V238-L241 WeakPolarHBondContact O-CB 3.49Å; V238-L241 PolarHBondContact O-N 2.84Å; D239-L241 PolarHBondContact O-N 2.55Å; L241-K243 PolarHBondContact O-N 2.96Å; L241-W246 VanDerWaalsContact CD1-CA 3.47Å; L241-W246 HydrophobicContact CD1-CB 3.97Å; L241-W246 HydrophobicContact CD1-CE3 4.16Å; L241-V249 HydrophobicContact CB-CG2 4.42Å; L241-V249 HydrophobicContact CD1-CB 4.32Å; L241-V249 HydrophobicContact CD1-CG2 3.74Å; L241-V271 HydrophobicContact CD2-CB 4.49Å; L241-V271 HydrophobicContact CD2-CG2 4.15Å
242D80.9Confident90.2Very high59 Ų5956.1 Ų56.132%0.31628%0.278SS..G310 helixtrans-68.2-17.8169.275.2-19000113.9K240 R326K240-D242 PolarHBondContact O-N 3.36Å; D242-R326 IonicContact OD2-CZ 3.78Å; D242-R326 IonicContact OD2-NH1 3.3Å; D242-R326 PolarHBondContact OD2-NH1 3Å; D242-R326 IonicContact OD2-NH2 3.98Å; D242-R326 PolarHBondContact OD2-NH2 2.85Å
243K83Confident90.7Very high145 Ų14548.5 Ų48.563%0.6325%0.25SC*.THydrogen-bonded Turntrans-129.5-27.4-172.7-72.9176.5-153.977.70114.4K240 L241K240-K243 PolarHBondContact O-N 3.41Å; L241-K243 PolarHBondContact O-N 2.96Å
244V88.3Confident91.1Very high48 Ų4847.8 Ų47.829%0.29125%0.245SC..SBendtrans-125.5158.2-175.7-51.20000110.8K240 E248 V249K240-V244 HydrophobicContact CB-CG2 3.89Å; K240-V244 WeakPolarHBondContact O-CG2 3.23Å; K240-V244 PolarHBondContact O-N 2.97Å; V244-E248 HydrophobicContact CB-CB 4.28Å; V244-E248 WeakPolarHBondContact CB-OE2 3.27Å; V244-E248 HydrophobicContact CG2-CB 4.19Å; V244-V249 HydrophobicContact CG2-CG2 3.48Å; V244-V249 VanDerWaalsContact CG2-CG2 3.48Å
245S92.8Very high91.3Very high50 Ų5050.9 Ų50.935%0.3528%0.278SS..  trans-70.1160.1-178.5800000112.2E247 E248 V249S245-E247 VanDerWaalsContact CB-OE2 3.27Å; S245-E247 WeakPolarHBondContact CB-OE2 3.47Å; S245-E247 PolarHBondContact O-N 2.94Å; S245-E247 PolarHBondContact OG-N 3.21Å; S245-E247 PolarHBondContact OG-OE2 3.01Å; S245-E248 PolarHBondContact O-N 2.92Å; S245-E248 PolarHBondContact OG-N 2.75Å; S245-V249 WeakPolarHBondContact O-CG2 3.39Å; S245-V249 PolarHBondContact O-N 3.17Å; S245-V249 VanDerWaalsContact O-N 3.11Å
246W94Very high91.6Very high24 Ų2458 Ų589%0.09131%0.31CS..Hα-helixtrans-57.4-37.5175.1169.3-118000112.4L241 E248 V249 K250 M253 A264 I267 G268 V271 Q272L241-W246 VanDerWaalsContact CD1-CA 3.47Å; L241-W246 HydrophobicContact CD1-CB 3.97Å; L241-W246 HydrophobicContact CD1-CE3 4.16Å; W246-E248 VanDerWaalsContact C-N 3.34Å; W246-E248 PolarHBondContact O-N 2.77Å; W246-V249 HydrophobicContact CE3-CB 4.32Å; W246-V249 HydrophobicContact CE3-CG1 4.41Å; W246-V249 HydrophobicContact CZ3-CG1 4.27Å; W246-V249 PolarHBondContact O-N 3.35Å; W246-K250 HydrophobicContact CZ2-CB 4.17Å; W246-K250 HydrophobicContact CZ2-CD 4.42Å; W246-K250 HydrophobicContact CZ2-CG 4.42Å; W246-K250 VanDerWaalsContact O-CB 3.27Å; W246-K250 WeakPolarHBondContact O-CB 3.43Å; W246-K250 PolarHBondContact O-N 2.85Å; W246-M253 HydrophobicContact CH2-CE 3.48Å; W246-M253 VanDerWaalsContact CH2-CE 3.48Å; W246-M253 HydrophobicContact CZ2-CE 4.46Å; W246-M253 HydrophobicContact CZ3-CE 3.66Å; W246-A264 VanDerWaalsContact CH2-O 3.23Å; W246-A264 WeakPolarHBondContact CH2-O 3.41Å; W246-A264 WeakPolarHBondContact CZ2-O 3.48Å; W246-I267 HydrophobicContact CH2-CB 4.28Å; W246-I267 HydrophobicContact CH2-CG2 4.13Å; W246-I267 HydrophobicContact CZ3-CG2 4.43Å; W246-G268 VanDerWaalsContact CH2-N 3.26Å; W246-V271 HydrophobicContact CE3-CG2 3.92Å; W246-V271 HydrophobicContact CH2-CG2 4.17Å; W246-V271 HydrophobicContact CZ3-CG2 3.53Å; W246-Q272 HydrophobicContact CB-CG 4.45Å; W246-Q272 HydrophobicContact CD2-CG 4.37Å; W246-Q272 HydrophobicContact CG-CG 4.23Å
247E95.4Very high91.8Very high113 Ų11357 Ų5753%0.52830%0.297SS..Hα-helixtrans-62.5-41.5179-6372.9-159.300111.5S245 K250 N251S245-E247 VanDerWaalsContact CB-OE2 3.27Å; S245-E247 WeakPolarHBondContact CB-OE2 3.47Å; S245-E247 PolarHBondContact O-N 2.94Å; S245-E247 PolarHBondContact OG-N 3.21Å; S245-E247 PolarHBondContact OG-OE2 3.01Å; E247-K250 PolarHBondContact O-N 2.93Å; E247-N251 VanDerWaalsContact O-CB 3.32Å; E247-N251 WeakPolarHBondContact O-CB 3.12Å; E247-N251 PolarHBondContact O-N 2.88Å; E247-N251 PolarHBondContact O-ND2 2.79Å; E247-N251 VanDerWaalsContact O-ND2 3.1Å
248E94.9Very high92Very high116 Ų11659.3 Ų59.354%0.54232%0.321SS..Hα-helixtrans-65.8-45175.7-70.1-178.7-165.100111.2V244 S245 W246 K250 N251 E252V244-E248 HydrophobicContact CB-CB 4.28Å; V244-E248 WeakPolarHBondContact CB-OE2 3.27Å; V244-E248 HydrophobicContact CG2-CB 4.19Å; S245-E248 PolarHBondContact O-N 2.92Å; S245-E248 PolarHBondContact OG-N 2.75Å; W246-E248 VanDerWaalsContact C-N 3.34Å; W246-E248 PolarHBondContact O-N 2.77Å; E248-K250 PolarHBondContact O-N 2.71Å; E248-N251 PolarHBondContact O-N 3.38Å; E248-E252 PolarHBondContact O-N 2.89Å
249V94.6Very high92.2Very high1 Ų159.8 Ų59.81%0.00632%0.324CS..Hα-helixtrans-60.6-45.7175.5179.40000111.2S237 K240 L241 V244 S245 W246 E252 M253S237-V249 WeakPolarHBondContact O-CG1 3.15Å; K240-V249 HydrophobicContact CB-CG2 4.42Å; L241-V249 HydrophobicContact CB-CG2 4.42Å; L241-V249 HydrophobicContact CD1-CB 4.32Å; L241-V249 HydrophobicContact CD1-CG2 3.74Å; V244-V249 HydrophobicContact CG2-CG2 3.48Å; V244-V249 VanDerWaalsContact CG2-CG2 3.48Å; S245-V249 WeakPolarHBondContact O-CG2 3.39Å; S245-V249 PolarHBondContact O-N 3.17Å; S245-V249 VanDerWaalsContact O-N 3.11Å; W246-V249 HydrophobicContact CE3-CB 4.32Å; W246-V249 HydrophobicContact CE3-CG1 4.41Å; W246-V249 HydrophobicContact CZ3-CG1 4.27Å; W246-V249 PolarHBondContact O-N 3.35Å; V249-E252 PolarHBondContact O-N 2.8Å; V249-M253 HydrophobicContact CG1-CE 4.08Å; V249-M253 HydrophobicContact CG1-SD 4.42Å; V249-M253 WeakPolarHBondContact O-CG 3.47Å; V249-M253 PolarHBondContact O-N 3.23Å
250K96.6Very high92.7Very high49 Ų4960.2 Ų60.221%0.21333%0.332CS..Hα-helixtrans-60.5-46.1177.7-178.5-179.8177.3-176.50111.1W246 E247 E248 E252 M253 V254 A264 D265W246-K250 HydrophobicContact CZ2-CB 4.17Å; W246-K250 HydrophobicContact CZ2-CD 4.42Å; W246-K250 HydrophobicContact CZ2-CG 4.42Å; W246-K250 VanDerWaalsContact O-CB 3.27Å; W246-K250 WeakPolarHBondContact O-CB 3.43Å; W246-K250 PolarHBondContact O-N 2.85Å; E247-K250 PolarHBondContact O-N 2.93Å; E248-K250 PolarHBondContact O-N 2.71Å; K250-E252 VanDerWaalsContact C-N 3.34Å; K250-E252 PolarHBondContact O-N 2.87Å; K250-M253 PolarHBondContact O-N 3.42Å; K250-V254 WeakPolarHBondContact O-CG2 3.33Å; K250-V254 PolarHBondContact O-N 3.36Å; K250-A264 HydrophobicContact CG-CB 4.03Å; K250-D265 VanDerWaalsContact CE-OD1 3.25Å; K250-D265 WeakPolarHBondContact CE-OD1 3.46Å; K250-D265 IonicContact NZ-OD1 3.43Å; K250-D265 PolarHBondContact NZ-OD1 3.25Å; K250-D265 IonicContact NZ-OD2 3.32Å; K250-D265 PolarHBondContact NZ-OD2 2.9Å
251N95.9Very high93.1Very high112 Ų11259.2 Ų59.260%0.59933%0.333SS*.Hα-helixtrans-62.1-40.3178.4-72.7-25.5000112E247 E248 G255E247-N251 VanDerWaalsContact O-CB 3.32Å; E247-N251 WeakPolarHBondContact O-CB 3.12Å; E247-N251 PolarHBondContact O-N 2.88Å; E247-N251 PolarHBondContact O-ND2 2.79Å; E247-N251 VanDerWaalsContact O-ND2 3.1Å; E248-N251 PolarHBondContact O-N 3.38Å; N251-G255 WeakPolarHBondContact O-CA 3.4Å; N251-G255 PolarHBondContact O-N 3.07Å
252E95.3Very high93.6Very high24 Ų2462.9 Ų62.911%0.11235%0.35CS..Hα-helixtrans-62.3-47.7173.5-178.7-173.4141.900111.5S237 K240 E248 V249 K250 V254 E256 K257S237-E252 PolarHBondContact OG-OE1 2.85Å; K240-E252 WeakPolarHBondContact CD-OE2 3.35Å; K240-E252 IonicContact NZ-OE1 2.7Å; K240-E252 PolarHBondContact NZ-OE1 3.38Å; K240-E252 IonicContact NZ-OE2 2.66Å; K240-E252 PolarHBondContact NZ-OE2 3.49Å; E248-E252 PolarHBondContact O-N 2.89Å; V249-E252 PolarHBondContact O-N 2.8Å; K250-E252 VanDerWaalsContact C-N 3.34Å; K250-E252 PolarHBondContact O-N 2.87Å; E252-V254 VanDerWaalsContact C-N 3.31Å; E252-V254 PolarHBondContact O-N 2.83Å; E252-E256 HydrophobicContact CG-CB 4.44Å; E252-E256 WeakPolarHBondContact O-CA 3.47Å; E252-E256 WeakPolarHBondContact O-CB 3.4Å; E252-E256 PolarHBondContact O-N 3.5Å; E252-K257 PolarHBondContact O-N 3.06Å; E252-K257 WeakPolarHBondContact OE1-CE 3.38Å; E252-K257 IonicContact OE1-NZ 3.57Å; E252-K257 PolarHBondContact OE1-NZ 3.28Å
253M95.1Very high94.4Very high0 Ų060.8 Ų60.80%034%0.339CS..Hα-helixtrans-60.6-41.7-179.1-71.8-170.2-62.500112.1I234 V238 W246 V249 K250 K257 G258 L259 A264 I267I234-M253 HydrophobicContact CD1-CB 4.35Å; I234-M253 HydrophobicContact CD1-CG 4.04Å; I234-M253 HydrophobicContact CD1-SD 4.3Å; I234-M253 HydrophobicContact CG2-SD 3.86Å; V238-M253 HydrophobicContact CG2-SD 4.49Å; W246-M253 HydrophobicContact CH2-CE 3.48Å; W246-M253 VanDerWaalsContact CH2-CE 3.48Å; W246-M253 HydrophobicContact CZ2-CE 4.46Å; W246-M253 HydrophobicContact CZ3-CE 3.66Å; V249-M253 HydrophobicContact CG1-CE 4.08Å; V249-M253 HydrophobicContact CG1-SD 4.42Å; V249-M253 WeakPolarHBondContact O-CG 3.47Å; V249-M253 PolarHBondContact O-N 3.23Å; K250-M253 PolarHBondContact O-N 3.42Å; M253-K257 CarbonylContact O-C 3.45Å; M253-K257 WeakPolarHBondContact O-CB 3.31Å; M253-G258 PolarHBondContact O-N 3.36Å; M253-L259 HydrophobicContact CB-CB 4.3Å; M253-L259 HydrophobicContact CB-CD2 4.12Å; M253-L259 WeakPolarHBondContact O-CB 3.49Å; M253-L259 PolarHBondContact O-N 3.4Å; M253-L259 HydrophobicContact SD-CD2 4.18Å; M253-A264 HydrophobicContact CE-CB 4.13Å; M253-I267 HydrophobicContact SD-CD1 4.41Å
254V96.4Very high95Very high44 Ų4453.9 Ų53.927%0.26731%0.309SS..Hα-helixtrans-77.5-54.3-179.5176.30000111.2K250 E252 G258 L259 P261 A264K250-V254 WeakPolarHBondContact O-CG2 3.33Å; K250-V254 PolarHBondContact O-N 3.36Å; E252-V254 VanDerWaalsContact C-N 3.31Å; E252-V254 PolarHBondContact O-N 2.83Å; V254-G258 WeakPolarHBondContact O-CA 3.33Å; V254-G258 PolarHBondContact O-N 2.74Å; V254-L259 WeakPolarHBondContact CA-O 3.42Å; V254-P261 HydrophobicContact CG1-CG 4.04Å; V254-P261 HydrophobicContact CG2-CB 4.48Å; V254-P261 HydrophobicContact CG2-CG 4.43Å; V254-A264 HydrophobicContact CG2-CB 3.97Å
255G94.9Very high95.4Very high66 Ų6654.9 Ų54.968%0.6831%0.312SS*.Hα-helixtrans-75.3-39.1-170.700000114.3N251N251-G255 WeakPolarHBondContact O-CA 3.4Å; N251-G255 PolarHBondContact O-N 3.07Å
256E94.7Very high95.6Very high158 Ų15856.4 Ų56.474%0.73831%0.31SS*.THydrogen-bonded Turntrans-102.3-36.1-174-57.3-175.6-170.600112.5E252E252-E256 HydrophobicContact CG-CB 4.44Å; E252-E256 WeakPolarHBondContact O-CA 3.47Å; E252-E256 WeakPolarHBondContact O-CB 3.4Å; E252-E256 PolarHBondContact O-N 3.5Å
257K92.8Very high95.7Very high41 Ų4155.2 Ų55.218%0.17831%0.306CS..THydrogen-bonded Turntrans-99.1-2.7-176.3-56.6-177.4179.5176.80113.2K230 T233 I234 S237 E252 M253 L259K230-K257 PolarHBondContact NZ-O 3.45Å; T233-K257 PolarHBondContact O-NZ 3.15Å; I234-K257 HydrophobicContact CD1-CB 4.15Å; I234-K257 HydrophobicContact CD1-CD 4.13Å; S237-K257 WeakPolarHBondContact OG-CD 3.31Å; S237-K257 VanDerWaalsContact OG-CE 3.29Å; S237-K257 WeakPolarHBondContact OG-CE 3.26Å; S237-K257 PolarHBondContact OG-NZ 3.11Å; E252-K257 PolarHBondContact O-N 3.06Å; E252-K257 WeakPolarHBondContact OE1-CE 3.38Å; E252-K257 IonicContact OE1-NZ 3.57Å; E252-K257 PolarHBondContact OE1-NZ 3.28Å; M253-K257 CarbonylContact O-C 3.45Å; M253-K257 WeakPolarHBondContact O-CB 3.31Å; K257-L259 VanDerWaalsContact C-N 3.3Å; K257-L259 PolarHBondContact O-N 3.04Å
258G93.9Very high95.8Very high49 Ų4949.9 Ų49.951%0.50528%0.282SS..  trans61.536.1175.600000113.1K230 M253 V254K230-G258 PolarHBondContact NZ-O 2.94Å; M253-G258 PolarHBondContact O-N 3.36Å; V254-G258 WeakPolarHBondContact O-CA 3.33Å; V254-G258 PolarHBondContact O-N 2.74Å
259L95.4Very high95.9Very high12 Ų1249.6 Ų49.66%0.06328%0.284CS..  trans-81.3141.6172.9-160.768.2000109.5V226 I234 M253 V254 K257 V263 A264 I267V226-L259 HydrophobicContact CG2-CD1 4.38Å; I234-L259 HydrophobicContact CD1-CB 4.39Å; I234-L259 HydrophobicContact CD1-CD1 4.31Å; I234-L259 HydrophobicContact CD1-CD2 3.92Å; I234-L259 HydrophobicContact CD1-CG 4.45Å; I234-L259 HydrophobicContact CG1-CD1 4.44Å; I234-L259 HydrophobicContact CG1-CD2 4.4Å; M253-L259 HydrophobicContact CB-CB 4.3Å; M253-L259 HydrophobicContact CB-CD2 4.12Å; M253-L259 WeakPolarHBondContact O-CB 3.49Å; M253-L259 PolarHBondContact O-N 3.4Å; M253-L259 HydrophobicContact SD-CD2 4.18Å; V254-L259 WeakPolarHBondContact CA-O 3.42Å; K257-L259 VanDerWaalsContact C-N 3.3Å; K257-L259 PolarHBondContact O-N 3.04Å; L259-V263 HydrophobicContact CD1-CB 4.42Å; L259-V263 HydrophobicContact CD1-CG1 3.86Å; L259-V263 HydrophobicContact CD2-CB 4.44Å; L259-V263 HydrophobicContact CD2-CG1 3.93Å; L259-V263 HydrophobicContact CG-CB 4.11Å; L259-V263 HydrophobicContact CG-CG1 3.88Å; L259-A264 HydrophobicContact CD2-CB 4.24Å; L259-I267 HydrophobicContact CD2-CD1 3.75Å
260A97.1Very high96Very high42 Ų4250.4 Ų50.435%0.34729%0.287SS..  trans-65.4137.7176.400000110.3E262 V263 A264A260-E262 PolarHBondContact O-N 2.88Å; A260-V263 HydrophobicContact CB-CB 4.41Å; A260-V263 HydrophobicContact CB-CG2 3.97Å; A260-V263 WeakPolarHBondContact O-CB 3.29Å; A260-V263 PolarHBondContact O-N 2.87Å; A260-A264 PolarHBondContact O-N 3.13Å
261P96.6Very high95.9Very high56 Ų5648.2 Ų48.236%0.36428%0.277SS..Hα-helixtrans-54-38.1-178.7-26.534.4000113.5V254 V263 A264 D265V254-P261 HydrophobicContact CG1-CG 4.04Å; V254-P261 HydrophobicContact CG2-CB 4.48Å; V254-P261 HydrophobicContact CG2-CG 4.43Å; P261-V263 VanDerWaalsContact C-N 3.31Å; P261-V263 PolarHBondContact O-N 2.9Å; P261-A264 WeakPolarHBondContact O-CB 3.25Å; P261-A264 PolarHBondContact O-N 3.05Å; P261-D265 PolarHBondContact O-N 3.43Å
262E97.3Very high95.9Very high112 Ų11247.7 Ų47.752%0.52327%0.271SS..Hα-helixtrans-70-30.5-179.1-50.774-161.500111.9A260 R266A260-E262 PolarHBondContact O-N 2.88Å; E262-R266 WeakPolarHBondContact O-CG 3.41Å; E262-R266 VanDerWaalsContact O-CZ 3.3Å; E262-R266 PolarHBondContact O-N 3.32Å; E262-R266 PolarHBondContact O-NH1 3.17Å
263V96.6Very high95.9Very high14 Ų1448.8 Ų48.89%0.08528%0.277CS..Hα-helixtrans-70.2-44.3172.2175.40000109.3C224 V226 L259 A260 P261 D265 R266 I267C224-V263 WeakPolarHBondContact O-CG1 3.34Å; V226-V263 HydrophobicContact CG2-CG1 3.92Å; L259-V263 HydrophobicContact CD1-CB 4.42Å; L259-V263 HydrophobicContact CD1-CG1 3.86Å; L259-V263 HydrophobicContact CD2-CB 4.44Å; L259-V263 HydrophobicContact CD2-CG1 3.93Å; L259-V263 HydrophobicContact CG-CB 4.11Å; L259-V263 HydrophobicContact CG-CG1 3.88Å; A260-V263 HydrophobicContact CB-CB 4.41Å; A260-V263 HydrophobicContact CB-CG2 3.97Å; A260-V263 WeakPolarHBondContact O-CB 3.29Å; A260-V263 PolarHBondContact O-N 2.87Å; P261-V263 VanDerWaalsContact C-N 3.31Å; P261-V263 PolarHBondContact O-N 2.9Å; V263-D265 VanDerWaalsContact C-N 3.34Å; V263-D265 PolarHBondContact O-N 2.83Å; V263-R266 PolarHBondContact O-N 2.88Å; V263-I267 HydrophobicContact CG1-CD1 4.22Å; V263-I267 WeakPolarHBondContact O-CG1 3.49Å; V263-I267 PolarHBondContact O-N 3.12Å
264A96.8Very high96Very high0 Ų054.8 Ų54.80%030%0.304CS..Hα-helixtrans-61.2-42.9177.600000111.6W246 K250 M253 V254 L259 A260 P261 R266 I267 G268W246-A264 VanDerWaalsContact CH2-O 3.23Å; W246-A264 WeakPolarHBondContact CH2-O 3.41Å; W246-A264 WeakPolarHBondContact CZ2-O 3.48Å; K250-A264 HydrophobicContact CG-CB 4.03Å; M253-A264 HydrophobicContact CE-CB 4.13Å; V254-A264 HydrophobicContact CG2-CB 3.97Å; L259-A264 HydrophobicContact CD2-CB 4.24Å; A260-A264 PolarHBondContact O-N 3.13Å; P261-A264 WeakPolarHBondContact O-CB 3.25Å; P261-A264 PolarHBondContact O-N 3.05Å; A264-R266 PolarHBondContact O-N 3.05Å; A264-I267 WeakPolarHBondContact O-CB 3.37Å; A264-I267 PolarHBondContact O-N 3.14Å; A264-I267 VanDerWaalsContact O-N 3.13Å; A264-G268 PolarHBondContact O-N 3.36Å
265D96.8Very high95.9Very high69 Ų6953.8 Ų53.837%0.36930%0.303SS..Hα-helixtrans-59.8-45.8175.7-79.6-41.2000112.6K250 P261 V263 I267 G268 D269K250-D265 VanDerWaalsContact CE-OD1 3.25Å; K250-D265 WeakPolarHBondContact CE-OD1 3.46Å; K250-D265 IonicContact NZ-OD1 3.43Å; K250-D265 PolarHBondContact NZ-OD1 3.25Å; K250-D265 IonicContact NZ-OD2 3.32Å; K250-D265 PolarHBondContact NZ-OD2 2.9Å; P261-D265 PolarHBondContact O-N 3.43Å; V263-D265 VanDerWaalsContact C-N 3.34Å; V263-D265 PolarHBondContact O-N 2.83Å; D265-I267 VanDerWaalsContact C-N 3.26Å; D265-I267 PolarHBondContact O-N 3.5Å; D265-G268 WeakPolarHBondContact O-CA 3.42Å; D265-G268 PolarHBondContact O-N 3.4Å; D265-D269 PolarHBondContact O-N 2.9Å; D265-D269 VanDerWaalsContact O-N 3.08Å
266R97.6Very high95.9Very high82 Ų8252 Ų5231%0.30928%0.284SS..Hα-helixtrans-61.7-33.3174.5-72.8-172.1-62.7-86.77.9113.1C224 E262 V263 A264 G268 Y270C224-R266 HydrophobicContact CB-CB 4.17Å; C224-R266 VanDerWaalsContact O-CZ 3.29Å; C224-R266 PolarHBondContact O-NE 3.1Å; C224-R266 PolarHBondContact O-NH2 3.43Å; C224-R266 PolarHBondContact SG-O 3.07Å; E262-R266 WeakPolarHBondContact O-CG 3.41Å; E262-R266 VanDerWaalsContact O-CZ 3.3Å; E262-R266 PolarHBondContact O-N 3.32Å; E262-R266 PolarHBondContact O-NH1 3.17Å; V263-R266 PolarHBondContact O-N 2.88Å; A264-R266 PolarHBondContact O-N 3.05Å; R266-G268 VanDerWaalsContact C-N 3.34Å; R266-Y270 VanDerWaalsContact O-CD2 3.22Å; R266-Y270 WeakPolarHBondContact O-CD2 3.22Å
267I96.2Very high96Very high0 Ų047.6 Ų47.60%027%0.268CS..Hα-helixtrans-65.5-44173.4-68.1168.2000109.2F221 C224 V226 I234 V238 W246 M253 L259 V263 A264 D265 D269 Y270 V271F221-I267 HydrophobicContact CD1-CD1 4.38Å; F221-I267 HydrophobicContact CD1-CG1 4.31Å; F221-I267 HydrophobicContact CE1-CD1 4.43Å; F221-I267 HydrophobicContact CE1-CG1 4.47Å; F221-I267 HydrophobicContact CE1-CG2 4.03Å; C224-I267 HydrophobicContact CB-CG1 3.77Å; V226-I267 HydrophobicContact CG2-CD1 3.65Å; V226-I267 HydrophobicContact CG2-CG1 4.44Å; I234-I267 HydrophobicContact CG2-CD1 4.01Å; V238-I267 HydrophobicContact CG2-CG2 4.26Å; W246-I267 HydrophobicContact CH2-CB 4.28Å; W246-I267 HydrophobicContact CH2-CG2 4.13Å; W246-I267 HydrophobicContact CZ3-CG2 4.43Å; M253-I267 HydrophobicContact SD-CD1 4.41Å; L259-I267 HydrophobicContact CD2-CD1 3.75Å; V263-I267 HydrophobicContact CG1-CD1 4.22Å; V263-I267 WeakPolarHBondContact O-CG1 3.49Å; V263-I267 PolarHBondContact O-N 3.12Å; A264-I267 WeakPolarHBondContact O-CB 3.37Å; A264-I267 PolarHBondContact O-N 3.14Å; A264-I267 VanDerWaalsContact O-N 3.13Å; D265-I267 VanDerWaalsContact C-N 3.26Å; D265-I267 PolarHBondContact O-N 3.5Å; I267-D269 VanDerWaalsContact C-N 3.3Å; I267-D269 PolarHBondContact O-N 3.13Å; I267-Y270 PolarHBondContact O-N 3.49Å; I267-V271 HydrophobicContact CG2-CB 4.44Å; I267-V271 HydrophobicContact CG2-CG1 3.57Å; I267-V271 HydrophobicContact CG2-CG2 4.01Å; I267-V271 WeakPolarHBondContact O-CG2 3.42Å; I267-V271 PolarHBondContact O-N 3.05Å
268G96.2Very high96.3Very high1 Ų149.7 Ų49.71%0.0129%0.288CS..Hα-helixtrans-53-45.3177.700000113.2W246 A264 D265 R266 Y270 V271 Q272W246-G268 VanDerWaalsContact CH2-N 3.26Å; A264-G268 PolarHBondContact O-N 3.36Å; D265-G268 WeakPolarHBondContact O-CA 3.42Å; D265-G268 PolarHBondContact O-N 3.4Å; R266-G268 VanDerWaalsContact C-N 3.34Å; G268-Y270 PolarHBondContact O-N 3.4Å; G268-V271 PolarHBondContact O-N 2.97Å; G268-Q272 WeakPolarHBondContact O-CB 3.46Å; G268-Q272 VanDerWaalsContact O-CG 3.3Å; G268-Q272 WeakPolarHBondContact O-CG 3.31Å; G268-Q272 PolarHBondContact O-N 2.96Å; G268-Q272 PolarHBondContact O-OE1 3.39Å
269D96.9Very high96.5Very high110 Ų11047.9 Ų47.959%0.58827%0.266SS*.Hα-helixtrans-52.7-31.4176.8-65.5-26.6000112.5D265 I267 Q273D265-D269 PolarHBondContact O-N 2.9Å; D265-D269 VanDerWaalsContact O-N 3.08Å; I267-D269 VanDerWaalsContact C-N 3.3Å; I267-D269 PolarHBondContact O-N 3.13Å; D269-Q273 PolarHBondContact O-NE2 3.07Å
270Y97.2Very high96.6Very high18 Ų1847.3 Ų47.37%0.07126%0.263CS..Hα-helixtrans-96-52.8178.2-67.4-72.8000113.5M220 I223 R266 I267 G268 Q272 Q273 L283 D286M220-Y270 HydrophobicContact CG-CD2 3.92Å; M220-Y270 HydrophobicContact CG-CG 3.89Å; M220-Y270 WeakPolarHBondContact SD-CB 3.21Å; M220-Y270 HydrophobicContact SD-CG 4.04Å; I223-Y270 HydrophobicContact CD1-CE2 3.95Å; R266-Y270 VanDerWaalsContact O-CD2 3.22Å; R266-Y270 WeakPolarHBondContact O-CD2 3.22Å; I267-Y270 PolarHBondContact O-N 3.49Å; G268-Y270 PolarHBondContact O-N 3.4Å; Y270-Q272 PolarHBondContact O-N 3.35Å; Y270-Q272 VanDerWaalsContact O-N 3.14Å; Y270-Q273 WeakPolarHBondContact O-CB 3.41Å; Y270-Q273 PolarHBondContact O-N 3.14Å; Y270-L283 HydrophobicContact CD1-CD2 4.14Å; Y270-L283 HydrophobicContact CE1-CD2 4.14Å; Y270-D286 VanDerWaalsContact CE1-OD2 3.27Å; Y270-D286 WeakPolarHBondContact CE1-OD2 3.49Å; Y270-D286 PolarHBondContact OH-OD1 3.12Å; Y270-D286 PolarHBondContact OH-OD2 2.86Å
271V95.3Very high96.7Very high2 Ų248.4 Ų48.41%0.01226%0.262CS..Hα-helixtrans-68.6-17.1-169.2-600000113.6M220 V238 L241 W246 I267 G268 Q273 S323M220-V271 HydrophobicContact CE-CG1 3.58Å; M220-V271 HydrophobicContact SD-CG1 4.11Å; V238-V271 HydrophobicContact CG1-CB 4.15Å; V238-V271 HydrophobicContact CG1-CG1 3.82Å; V238-V271 HydrophobicContact CG2-CG1 4.27Å; L241-V271 HydrophobicContact CD2-CB 4.49Å; L241-V271 HydrophobicContact CD2-CG2 4.15Å; W246-V271 HydrophobicContact CE3-CG2 3.92Å; W246-V271 HydrophobicContact CH2-CG2 4.17Å; W246-V271 HydrophobicContact CZ3-CG2 3.53Å; I267-V271 HydrophobicContact CG2-CB 4.44Å; I267-V271 HydrophobicContact CG2-CG1 3.57Å; I267-V271 HydrophobicContact CG2-CG2 4.01Å; I267-V271 WeakPolarHBondContact O-CG2 3.42Å; I267-V271 PolarHBondContact O-N 3.05Å; G268-V271 PolarHBondContact O-N 2.97Å; V271-Q273 VanDerWaalsContact C-N 3.3Å; V271-S323 WeakPolarHBondContact O-CB 3.44Å
272Q94.3Very high96.7Very high101 Ų10151.1 Ų51.147%0.47227%0.269SS..THydrogen-bonded Turntrans-82.5-8173.6-62.2-176.6-94.800112.8W246 G268 Y270W246-Q272 HydrophobicContact CB-CG 4.45Å; W246-Q272 HydrophobicContact CD2-CG 4.37Å; W246-Q272 HydrophobicContact CG-CG 4.23Å; G268-Q272 WeakPolarHBondContact O-CB 3.46Å; G268-Q272 VanDerWaalsContact O-CG 3.3Å; G268-Q272 WeakPolarHBondContact O-CG 3.31Å; G268-Q272 PolarHBondContact O-N 2.96Å; G268-Q272 PolarHBondContact O-OE1 3.39Å; Y270-Q272 PolarHBondContact O-N 3.35Å; Y270-Q272 VanDerWaalsContact O-N 3.14Å
273Q95.9Very high96.8Very high48 Ų4845.9 Ų45.922%0.22425%0.245CC..  trans-85.4132.6177.9-60.4-177.364.900111.1D269 Y270 V271 L279 L322D269-Q273 PolarHBondContact O-NE2 3.07Å; Y270-Q273 WeakPolarHBondContact O-CB 3.41Å; Y270-Q273 PolarHBondContact O-N 3.14Å; V271-Q273 VanDerWaalsContact C-N 3.3Å; Q273-L279 HydrophobicContact CB-CD1 4.15Å; Q273-L279 HydrophobicContact CB-CD2 4.2Å; Q273-L322 HydrophobicContact CB-CD1 4.36Å; Q273-L322 WeakPolarHBondContact O-CD1 3.35Å; Q273-L322 PolarHBondContact O-N 2.97Å
274H96.4Very high96.8Very high125 Ų12546.7 Ų46.758%0.57925%0.249SC*.EExtended strand (participates in β ladder)trans-146.4150169.76078000110.2F320 D321H274-F320 CarbonylContact C-O 3.43Å; H274-F320 WeakPolarHBondContact CA-O 3.34Å; H274-D321 HydrophobicContact CB-CB 4.05Å
275G95.6Very high96.8Very high24 Ų2453.9 Ų53.925%0.24728%0.282CS..EExtended strand (participates in β ladder)trans177.8-165.1-175.800000113.5S319 F320G275-S319 CarbonylContact O-C 3.47Å; G275-S319 WeakPolarHBondContact O-CA 3.49Å; G275-F320 PolarHBondContact N-O 3.28Å; G275-F320 WeakPolarHBondContact O-CB 3.28Å; G275-F320 PolarHBondContact O-N 2.95Å
276G94.9Very high96.9Very high27 Ų2752 Ų5228%0.27827%0.272SS..SBendtrans-94.6-153174.400000112.5S278 L279G276-S278 PolarHBondContact O-N 3.25Å; G276-S278 VanDerWaalsContact O-N 3.13Å; G276-L279 WeakPolarHBondContact O-CB 3.24Å; G276-L279 PolarHBondContact O-N 2.97Å
277V97.3Very high96.8Very high66 Ų6653 Ų5340%0.429%0.289SS..Hα-helixtrans-55.6-29.9177.4680000113.6L279 V280 E281 F306V277-L279 PolarHBondContact O-N 3.42Å; V277-V280 WeakPolarHBondContact O-CB 3.49Å; V277-V280 PolarHBondContact O-N 3Å; V277-E281 PolarHBondContact O-N 2.93Å; V277-F306 HydrophobicContact CB-CB 4.03Å; V277-F306 HydrophobicContact CB-CD1 3.98Å; V277-F306 HydrophobicContact CB-CD2 4.33Å; V277-F306 HydrophobicContact CB-CG 3.86Å; V277-F306 HydrophobicContact CG2-CB 3.85Å; V277-F306 HydrophobicContact CG2-CD2 4.48Å; V277-F306 HydrophobicContact CG2-CG 4.12Å
278S97.9Very high96.7Very high86 Ų8658.5 Ų58.560%0.60131%0.313SS*.Hα-helixtrans-60.4-33.2177.254.40000113.1G276 E281 Q282G276-S278 PolarHBondContact O-N 3.25Å; G276-S278 VanDerWaalsContact O-N 3.13Å; S278-E281 PolarHBondContact O-N 3.47Å; S278-Q282 WeakPolarHBondContact O-CB 3.45Å; S278-Q282 PolarHBondContact O-N 2.8Å
279L98.2Very high96.6Very high10 Ų1058.4 Ų58.45%0.05231%0.312CS..Hα-helixtrans-70-36.2175.3179.359.4000111.2Q273 G276 V277 Q282 L283 F320 L322Q273-L279 HydrophobicContact CB-CD1 4.15Å; Q273-L279 HydrophobicContact CB-CD2 4.2Å; G276-L279 WeakPolarHBondContact O-CB 3.24Å; G276-L279 PolarHBondContact O-N 2.97Å; V277-L279 PolarHBondContact O-N 3.42Å; L279-Q282 PolarHBondContact O-N 2.84Å; L279-L283 HydrophobicContact CD1-CD1 4.16Å; L279-L283 HydrophobicContact CD1-CG 4.08Å; L279-L283 HydrophobicContact CG-CD1 4.21Å; L279-L283 WeakPolarHBondContact O-CB 3.24Å; L279-L283 WeakPolarHBondContact O-CG 3.47Å; L279-L283 PolarHBondContact O-N 3.47Å; L279-F320 HydrophobicContact CB-CD1 4.12Å; L279-F320 HydrophobicContact CD2-CD1 3.89Å; L279-F320 HydrophobicContact CD2-CE1 4.34Å; L279-F320 HydrophobicContact CD2-CG 4.42Å; L279-F320 HydrophobicContact CG-CD1 3.85Å; L279-F320 HydrophobicContact CG-CE1 4.1Å; L279-L322 HydrophobicContact CD2-CD1 3.81Å; L279-L322 HydrophobicContact CG-CD1 4.49Å
280V98.2Very high96.4Very high0 Ų054.6 Ų54.60%029%0.294CS..Hα-helixtrans-60.4-48.7173.3-177.50000109.9V277 Q282 L283 L284 L299 L302 K303 F306 F320V277-V280 WeakPolarHBondContact O-CB 3.49Å; V277-V280 PolarHBondContact O-N 3Å; V280-Q282 VanDerWaalsContact C-N 3.35Å; V280-Q282 PolarHBondContact O-N 2.99Å; V280-L283 PolarHBondContact O-N 2.69Å; V280-L284 HydrophobicContact CG1-CD1 4.29Å; V280-L284 WeakPolarHBondContact O-CG 3.09Å; V280-L284 PolarHBondContact O-N 3.03Å; V280-L299 HydrophobicContact CG1-CD2 4.14Å; V280-L299 WeakPolarHBondContact CG1-O 3.37Å; V280-L302 HydrophobicContact CG1-CB 4.4Å; V280-L302 HydrophobicContact CG2-CB 4.27Å; V280-K303 HydrophobicContact CG1-CB 4.02Å; V280-F306 HydrophobicContact CG2-CD2 4.01Å; V280-F306 HydrophobicContact CG2-CE2 3.86Å; V280-F320 HydrophobicContact CB-CD1 4.5Å; V280-F320 HydrophobicContact CG2-CD1 3.48Å; V280-F320 VanDerWaalsContact CG2-CD1 3.48Å; V280-F320 HydrophobicContact CG2-CE1 3.85Å; V280-F320 HydrophobicContact CG2-CG 4.25Å
281E97.8Very high96.2Very high66 Ų6661.3 Ų61.331%0.30833%0.326SS..Hα-helixtrans-61.5-41.4177.4-62.7-59.8157.100112.4V277 S278 L283 L284 Q285 K303V277-E281 PolarHBondContact O-N 2.93Å; S278-E281 PolarHBondContact O-N 3.47Å; E281-L283 PolarHBondContact O-N 2.96Å; E281-L284 PolarHBondContact O-N 3.36Å; E281-Q285 WeakPolarHBondContact O-CG 3.28Å; E281-Q285 PolarHBondContact O-N 2.93Å; E281-K303 WeakPolarHBondContact OE1-CD 3.5Å; E281-K303 IonicContact OE1-NZ 2.73Å; E281-K303 PolarHBondContact OE1-NZ 2.87Å
282Q98.3Very high96.3Very high113 Ų11362.7 Ų62.753%0.52833%0.334SS..Hα-helixtrans-60.4-46.1176.1-174.3-169.9-60.800111.4S278 L279 V280 Q285 D286S278-Q282 WeakPolarHBondContact O-CB 3.45Å; S278-Q282 PolarHBondContact O-N 2.8Å; L279-Q282 PolarHBondContact O-N 2.84Å; V280-Q282 VanDerWaalsContact C-N 3.35Å; V280-Q282 PolarHBondContact O-N 2.99Å; Q282-Q285 CarbonylContact O-C 3.44Å; Q282-Q285 PolarHBondContact O-N 2.94Å; Q282-Q285 VanDerWaalsContact O-N 3.12Å; Q282-D286 PolarHBondContact O-N 3.33Å
283L97.9Very high96.4Very high2 Ų265.2 Ų65.21%0.0134%0.343CS..Hα-helixtrans-73.5-25.7-178.5-70.1-178.7000113.2Y270 L279 V280 E281 Q285 D286 L289 L299 F320 L322Y270-L283 HydrophobicContact CD1-CD2 4.14Å; Y270-L283 HydrophobicContact CE1-CD2 4.14Å; L279-L283 HydrophobicContact CD1-CD1 4.16Å; L279-L283 HydrophobicContact CD1-CG 4.08Å; L279-L283 HydrophobicContact CG-CD1 4.21Å; L279-L283 WeakPolarHBondContact O-CB 3.24Å; L279-L283 WeakPolarHBondContact O-CG 3.47Å; L279-L283 PolarHBondContact O-N 3.47Å; V280-L283 PolarHBondContact O-N 2.69Å; E281-L283 PolarHBondContact O-N 2.96Å; L283-Q285 PolarHBondContact O-N 2.97Å; L283-D286 WeakPolarHBondContact O-CB 3.38Å; L283-D286 PolarHBondContact O-N 3.31Å; L283-L289 HydrophobicContact CB-CD2 4.12Å; L283-L289 HydrophobicContact CD1-CD2 4.47Å; L283-L289 HydrophobicContact CD2-CD2 4.25Å; L283-L299 HydrophobicContact CB-CD1 4.04Å; L283-L299 HydrophobicContact CB-CD2 3.9Å; L283-L299 HydrophobicContact CD1-CD2 4.45Å; L283-F320 HydrophobicContact CD1-CE1 3.78Å; L283-F320 HydrophobicContact CD1-CZ 4.03Å; L283-L322 HydrophobicContact CD1-CD1 3.9Å; L283-L322 HydrophobicContact CD1-CD2 3.85Å; L283-L322 HydrophobicContact CD1-CG 4.43Å
284L97.3Very high96.4Very high31 Ų3167.4 Ų67.416%0.16235%0.353CS..Hα-helixtrans-63.4-28.1167.8-76.8170.6000112.3V280 E281 L296 L299 K303V280-L284 HydrophobicContact CG1-CD1 4.29Å; V280-L284 WeakPolarHBondContact O-CG 3.09Å; V280-L284 PolarHBondContact O-N 3.03Å; E281-L284 PolarHBondContact O-N 3.36Å; L284-L296 HydrophobicContact CD2-CD1 3.78Å; L284-L299 HydrophobicContact CD2-CB 3.56Å; L284-L299 HydrophobicContact CD2-CD1 4.21Å; L284-L299 HydrophobicContact CG-CB 4.03Å; L284-L299 HydrophobicContact CG-CD1 4.46Å; L284-K303 HydrophobicContact CD1-CD 4.1Å
285Q97.3Very high96.3Very high151 Ų15161.5 Ų61.571%0.70633%0.326SS*.THydrogen-bonded Turntrans-91.6-2.2175.2-56-55.3-48.600113.4E281 Q282 L283E281-Q285 WeakPolarHBondContact O-CG 3.28Å; E281-Q285 PolarHBondContact O-N 2.93Å; Q282-Q285 CarbonylContact O-C 3.44Å; Q282-Q285 PolarHBondContact O-N 2.94Å; Q282-Q285 VanDerWaalsContact O-N 3.12Å; L283-Q285 PolarHBondContact O-N 2.97Å
286D97.6Very high96.5Very high29 Ų2964 Ų6416%0.15533%0.333CS..  trans-65.7123.9178.3179.1-59.8000109.8Y270 Q282 L283 K288 L289 S290Y270-D286 VanDerWaalsContact CE1-OD2 3.27Å; Y270-D286 WeakPolarHBondContact CE1-OD2 3.49Å; Y270-D286 PolarHBondContact OH-OD1 3.12Å; Y270-D286 PolarHBondContact OH-OD2 2.86Å; Q282-D286 PolarHBondContact O-N 3.33Å; L283-D286 WeakPolarHBondContact O-CB 3.38Å; L283-D286 PolarHBondContact O-N 3.31Å; D286-K288 PolarHBondContact O-N 2.72Å; D286-K288 WeakPolarHBondContact OD1-CA 3.29Å; D286-K288 WeakPolarHBondContact OD1-CB 2.87Å; D286-K288 PolarHBondContact OD1-N 2.78Å; D286-L289 HydrophobicContact CB-CB 3.93Å; D286-L289 PolarHBondContact O-N 2.81Å; D286-L289 PolarHBondContact OD1-N 2.91Å; D286-S290 WeakPolarHBondContact O-CB 3.38Å; D286-S290 PolarHBondContact O-N 2.85Å; D286-S290 PolarHBondContact O-OG 2.85Å
287P95.5Very high96.6Very high102 Ų10266.7 Ų66.766%0.66234%0.339SS*.THydrogen-bonded Turntrans-68.4-19.9-171.527.2-35.6000114.1Q291P287-Q291 WeakPolarHBondContact O-CG 3.39Å
288K95Very high96.6Very high116 Ų11663.6 Ų63.650%0.50432%0.32SS..THydrogen-bonded Turntrans-93.8-47.5176.9-64.8179.2-177.1171.10110.8I223 D286 Q291I223-K288 HydrophobicContact CD1-CB 3.8Å; D286-K288 PolarHBondContact O-N 2.72Å; D286-K288 WeakPolarHBondContact OD1-CA 3.29Å; D286-K288 WeakPolarHBondContact OD1-CB 2.87Å; D286-K288 PolarHBondContact OD1-N 2.78Å; K288-Q291 PolarHBondContact O-N 2.95Å
289L93.4Very high96.7Very high0 Ų059.5 Ų59.50%029%0.291CS..G310 helixtrans-70-36.7-174.3-161.866.6000111.7M220 I223 L283 D286 Q291 N292 A295 L299M220-L289 HydrophobicContact CB-CD1 4.14Å; I223-L289 HydrophobicContact CD1-CB 3.98Å; I223-L289 HydrophobicContact CD1-CD1 3.62Å; I223-L289 HydrophobicContact CD1-CG 4.41Å; I223-L289 HydrophobicContact CG1-CD1 4.25Å; L283-L289 HydrophobicContact CB-CD2 4.12Å; L283-L289 HydrophobicContact CD1-CD2 4.47Å; L283-L289 HydrophobicContact CD2-CD2 4.25Å; D286-L289 HydrophobicContact CB-CB 3.93Å; D286-L289 PolarHBondContact O-N 2.81Å; D286-L289 PolarHBondContact OD1-N 2.91Å; L289-Q291 PolarHBondContact O-N 2.84Å; L289-N292 WeakPolarHBondContact O-CB 3.28Å; L289-N292 PolarHBondContact O-N 2.67Å; L289-A295 HydrophobicContact CD1-CB 3.61Å; L289-A295 HydrophobicContact CG-CB 3.79Å; L289-L299 HydrophobicContact CD2-CD1 3.96Å; L289-L299 HydrophobicContact CG-CD1 4.42Å
290S93.1Very high96.7Very high30 Ų3060.5 Ų60.521%0.2130%0.304CS..G310 helixtrans-62.9-20.7175.960.10000114.4D286 N292D286-S290 WeakPolarHBondContact O-CB 3.38Å; D286-S290 PolarHBondContact O-N 2.85Å; D286-S290 PolarHBondContact O-OG 2.85Å; S290-N292 VanDerWaalsContact C-N 3.34Å
291Q93.7Very high96.7Very high158 Ų15862.3 Ų62.374%0.73831%0.314SS*.G310 helixtrans-82.3-14.8175.8-58.4-62.9-33.700112.4P287 K288 L289P287-Q291 WeakPolarHBondContact O-CG 3.39Å; K288-Q291 PolarHBondContact O-N 2.95Å; L289-Q291 PolarHBondContact O-N 2.84Å
292N96.8Very high96.8Very high32 Ų3259.2 Ų59.217%0.17130%0.299CS..  trans-88.4112.7176.3-172.9-67.4000110.1G219 I223 L289 S290 Q294 A295 L296G219-N292 VanDerWaalsContact CA-CG 3.47Å; G219-N292 WeakPolarHBondContact CA-ND2 3.46Å; G219-N292 WeakPolarHBondContact CA-OD1 3.39Å; I223-N292 HydrophobicContact CG2-CB 4.17Å; L289-N292 WeakPolarHBondContact O-CB 3.28Å; L289-N292 PolarHBondContact O-N 2.67Å; S290-N292 VanDerWaalsContact C-N 3.34Å; N292-Q294 VanDerWaalsContact C-N 3.31Å; N292-Q294 PolarHBondContact O-N 2.68Å; N292-Q294 WeakPolarHBondContact OD1-CB 3.49Å; N292-Q294 PolarHBondContact OD1-N 2.66Å; N292-A295 HydrophobicContact CB-CB 4.09Å; N292-A295 PolarHBondContact O-N 2.92Å; N292-A295 PolarHBondContact OD1-N 2.82Å; N292-A295 VanDerWaalsContact OD1-N 3.08Å; N292-L296 WeakPolarHBondContact O-CB 3.46Å; N292-L296 PolarHBondContact O-N 3.39Å
293K96.9Very high96.8Very high153 Ų15357.1 Ų57.167%0.66529%0.288SS*.Hα-helixtrans-55.4-42-177.9-179.1178.1171.3179.80113.4L296 E297K293-L296 PolarHBondContact O-N 3.43Å; K293-E297 WeakPolarHBondContact CE-OE1 3.23Å; K293-E297 IonicContact NZ-OE1 3.08Å; K293-E297 WeakPolarHBondContact O-CG 3.46Å; K293-E297 PolarHBondContact O-N 3.39Å
294Q94.5Very high96.8Very high95 Ų9559.1 Ų59.144%0.44430%0.299SS..Hα-helixtrans-67.2-46.1-179-72.2-174.4-2000111.3R215 N292 L296 E297 G298R215-Q294 HydrophobicContact CB-CB 4.12Å; R215-Q294 VanDerWaalsContact CB-O 3.31Å; R215-Q294 WeakPolarHBondContact CB-O 3.33Å; N292-Q294 VanDerWaalsContact C-N 3.31Å; N292-Q294 PolarHBondContact O-N 2.68Å; N292-Q294 WeakPolarHBondContact OD1-CB 3.49Å; N292-Q294 PolarHBondContact OD1-N 2.66Å; Q294-L296 VanDerWaalsContact C-N 3.3Å; Q294-L296 PolarHBondContact O-N 3.24Å; Q294-E297 PolarHBondContact O-N 3.12Å; Q294-G298 PolarHBondContact O-N 2.93Å
295A96.3Very high96.9Very high0 Ų057.7 Ų57.70%029%0.291CS..Hα-helixtrans-62.5-39.7176.700000111.7L289 N292 G298 L299L289-A295 HydrophobicContact CD1-CB 3.61Å; L289-A295 HydrophobicContact CG-CB 3.79Å; N292-A295 HydrophobicContact CB-CB 4.09Å; N292-A295 PolarHBondContact O-N 2.92Å; N292-A295 PolarHBondContact OD1-N 2.82Å; N292-A295 VanDerWaalsContact OD1-N 3.08Å; A295-G298 PolarHBondContact O-N 3.49Å; A295-L299 WeakPolarHBondContact O-CB 3.11Å; A295-L299 VanDerWaalsContact O-CG 3.32Å; A295-L299 WeakPolarHBondContact O-CG 3.24Å; A295-L299 PolarHBondContact O-N 2.96Å
296L97.8Very high97Very high76 Ų7650.9 Ų50.940%0.39826%0.259SS..Hα-helixtrans-64.2-42.5178.3-169.767000112.3L284 N292 K293 Q294 G300L284-L296 HydrophobicContact CD2-CD1 3.78Å; N292-L296 WeakPolarHBondContact O-CB 3.46Å; N292-L296 PolarHBondContact O-N 3.39Å; K293-L296 PolarHBondContact O-N 3.43Å; Q294-L296 VanDerWaalsContact C-N 3.3Å; Q294-L296 PolarHBondContact O-N 3.24Å; L296-G300 PolarHBondContact O-N 3.34Å
297E98Very high97Very high85 Ų8554 Ų5440%0.39727%0.273SS..Hα-helixtrans-62.2-46.3173.4-74172.5-175.100111.4K293 Q294 G300 D301K293-E297 WeakPolarHBondContact CE-OE1 3.23Å; K293-E297 IonicContact NZ-OE1 3.08Å; K293-E297 WeakPolarHBondContact O-CG 3.46Å; K293-E297 PolarHBondContact O-N 3.39Å; Q294-E297 PolarHBondContact O-N 3.12Å; E297-G300 PolarHBondContact O-N 3.39Å; E297-D301 PolarHBondContact O-N 3.44Å
298G98.2Very high97.2Very high0 Ų051.9 Ų51.90%025%0.252CS..Hα-helixtrans-62.5-42.3177.600000113.2Q294 A295 D301 L302Q294-G298 PolarHBondContact O-N 2.93Å; A295-G298 PolarHBondContact O-N 3.49Å; G298-D301 PolarHBondContact O-N 3.37Å; G298-L302 WeakPolarHBondContact O-CG 3.33Å; G298-L302 PolarHBondContact O-N 3.26Å
299L98.5Very high97.4Very high0 Ų046.3 Ų46.30%023%0.228CC..Hα-helixtrans-67-38175.7-74.1166.8000112I216 V280 L283 L284 L289 A295 L302 K303 F320I216-L299 HydrophobicContact CD1-CD2 3.8Å; I216-L299 HydrophobicContact CD1-CG 3.94Å; I216-L299 HydrophobicContact CG1-CD2 4.48Å; I216-L299 HydrophobicContact CG1-CG 4.16Å; V280-L299 HydrophobicContact CG1-CD2 4.14Å; V280-L299 WeakPolarHBondContact CG1-O 3.37Å; L283-L299 HydrophobicContact CB-CD1 4.04Å; L283-L299 HydrophobicContact CB-CD2 3.9Å; L283-L299 HydrophobicContact CD1-CD2 4.45Å; L284-L299 HydrophobicContact CD2-CB 3.56Å; L284-L299 HydrophobicContact CD2-CD1 4.21Å; L284-L299 HydrophobicContact CG-CB 4.03Å; L284-L299 HydrophobicContact CG-CD1 4.46Å; L289-L299 HydrophobicContact CD2-CD1 3.96Å; L289-L299 HydrophobicContact CG-CD1 4.42Å; A295-L299 WeakPolarHBondContact O-CB 3.11Å; A295-L299 VanDerWaalsContact O-CG 3.32Å; A295-L299 WeakPolarHBondContact O-CG 3.24Å; A295-L299 PolarHBondContact O-N 2.96Å; L299-L302 PolarHBondContact O-N 2.94Å; L299-K303 WeakPolarHBondContact O-CB 3.39Å; L299-K303 PolarHBondContact O-N 2.95Å; L299-F320 HydrophobicContact CD2-CE1 4.09Å; L299-F320 HydrophobicContact CD2-CZ 4.12Å
300G98.6Very high97.6Very high32 Ų3250 Ų5033%0.3325%0.251SS..Hα-helixtrans-61.8-43.5174.100000112.3L296 E297 K303 L304L296-G300 PolarHBondContact O-N 3.34Å; E297-G300 PolarHBondContact O-N 3.39Å; G300-K303 WeakPolarHBondContact O-CB 3.37Å; G300-K303 PolarHBondContact O-N 2.92Å; G300-L304 PolarHBondContact O-N 3.45Å; G300-L304 VanDerWaalsContact O-N 3.08Å
301D98.8Very high97.9Very high38 Ų3855.5 Ų55.520%0.20328%0.277CS..Hα-helixtrans-66.2-41175.2-79.4-13.2000111.9M185 R215 E297 G298 K303 L304 L305M185-D301 HydrophobicContact CE-CB 4.36Å; M185-D301 HydrophobicContact CG-CB 4.04Å; M185-D301 WeakPolarHBondContact CG-O 3.37Å; M185-D301 HydrophobicContact SD-CB 3.7Å; R215-D301 IonicContact CZ-OD2 2.75Å; R215-D301 IonicContact NH1-OD2 3.48Å; R215-D301 PolarHBondContact NH1-OD2 3.49Å; R215-D301 IonicContact NH2-OD2 3.63Å; R215-D301 PolarHBondContact NH2-OD2 2.94Å; E297-D301 PolarHBondContact O-N 3.44Å; G298-D301 PolarHBondContact O-N 3.37Å; D301-K303 PolarHBondContact O-N 3.25Å; D301-L304 PolarHBondContact O-N 2.87Å; D301-L305 VanDerWaalsContact O-CB 3.31Å; D301-L305 WeakPolarHBondContact O-CB 3.38Å; D301-L305 PolarHBondContact O-N 2.76Å
302L98.7Very high98.1Very high0 Ų051.9 Ų51.90%026%0.259CS..Hα-helixtrans-64.5-38.7174.2-72.7-170.3000112.3V211 D213 I216 V280 G298 L299 L305 F306 F320 V334V211-L302 HydrophobicContact CG1-CD2 3.78Å; D213-L302 HydrophobicContact CB-CD1 4.45Å; D213-L302 HydrophobicContact CB-CG 4.37Å; I216-L302 HydrophobicContact CD1-CD1 3.43Å; I216-L302 VanDerWaalsContact CD1-CD1 3.43Å; I216-L302 HydrophobicContact CD1-CG 4.12Å; V280-L302 HydrophobicContact CG1-CB 4.4Å; V280-L302 HydrophobicContact CG2-CB 4.27Å; G298-L302 WeakPolarHBondContact O-CG 3.33Å; G298-L302 PolarHBondContact O-N 3.26Å; L299-L302 PolarHBondContact O-N 2.94Å; L302-L305 HydrophobicContact CD2-CD2 3.97Å; L302-L305 WeakPolarHBondContact O-CB 3.44Å; L302-L305 PolarHBondContact O-N 3.34Å; L302-F306 VanDerWaalsContact O-CD2 3.27Å; L302-F306 WeakPolarHBondContact O-CD2 3.32Å; L302-F306 PolarHBondContact O-N 3.4Å; L302-F320 HydrophobicContact CD1-CD2 3.75Å; L302-F320 HydrophobicContact CD1-CE1 4.39Å; L302-F320 HydrophobicContact CD1-CE2 3.56Å; L302-F320 HydrophobicContact CD1-CG 4.29Å; L302-F320 HydrophobicContact CD1-CZ 3.9Å; L302-V334 HydrophobicContact CD2-CG1 3.87Å
303K98.8Very high98.2Very high69 Ų6952.8 Ų52.830%0.328%0.276SS..Hα-helixtrans-57.4-50.7174.2177.5-179.3169.558.80110.7V280 E281 L284 L299 G300 D301 L305 F306 E307V280-K303 HydrophobicContact CG1-CB 4.02Å; E281-K303 WeakPolarHBondContact OE1-CD 3.5Å; E281-K303 IonicContact OE1-NZ 2.73Å; E281-K303 PolarHBondContact OE1-NZ 2.87Å; L284-K303 HydrophobicContact CD1-CD 4.1Å; L299-K303 WeakPolarHBondContact O-CB 3.39Å; L299-K303 PolarHBondContact O-N 2.95Å; G300-K303 WeakPolarHBondContact O-CB 3.37Å; G300-K303 PolarHBondContact O-N 2.92Å; D301-K303 PolarHBondContact O-N 3.25Å; K303-L305 VanDerWaalsContact C-N 3.32Å; K303-L305 PolarHBondContact O-N 3.24Å; K303-F306 PolarHBondContact O-N 3.1Å; K303-E307 IonicContact NZ-OE1 3.54Å; K303-E307 PolarHBondContact O-N 2.92Å
304L98.9Very high98.3Very high44 Ų4446 Ų4623%0.2325%0.247CC..Hα-helixtrans-62.6-39177.4-175.762.7000112P184 M185 G300 D301 E307 Y308P184-L304 HydrophobicContact CB-CD2 4.06Å; M185-L304 HydrophobicContact CB-CD2 4.18Å; M185-L304 HydrophobicContact CB-CG 4.28Å; M185-L304 HydrophobicContact CG-CB 4.38Å; M185-L304 HydrophobicContact CG-CD2 4.11Å; M185-L304 HydrophobicContact CG-CG 4.43Å; G300-L304 PolarHBondContact O-N 3.45Å; G300-L304 VanDerWaalsContact O-N 3.08Å; D301-L304 PolarHBondContact O-N 2.87Å; L304-E307 WeakPolarHBondContact O-CB 3.36Å; L304-E307 PolarHBondContact O-N 3.37Å; L304-Y308 HydrophobicContact CD1-CE1 3.88Å; L304-Y308 HydrophobicContact CD1-CE2 4.24Å; L304-Y308 HydrophobicContact CD2-CE2 4.22Å; L304-Y308 HydrophobicContact CG-CE1 4.38Å; L304-Y308 HydrophobicContact CG-CE2 3.85Å; L304-Y308 PolarHBondContact O-N 2.64Å
305L98.9Very high98.4Very high1 Ų144.4 Ų44.41%0.00524%0.241CC..Hα-helixtrans-59.6-46.8175.3-179.260.5000111.3M185 D188 A189 L192 V211 D301 L302 K303 E307 Y308 L309 V334M185-L305 HydrophobicContact CB-CB 4.46Å; M185-L305 HydrophobicContact CE-CB 3.87Å; M185-L305 HydrophobicContact CE-CD1 4.14Å; M185-L305 HydrophobicContact CE-CD2 3.94Å; M185-L305 HydrophobicContact CE-CG 4.2Å; D188-L305 HydrophobicContact CB-CD1 4.32Å; A189-L305 HydrophobicContact CB-CD1 3.7Å; L192-L305 HydrophobicContact CD1-CD1 4.21Å; L192-L305 HydrophobicContact CD1-CD2 3.96Å; L192-L305 HydrophobicContact CD1-CG 4.37Å; V211-L305 HydrophobicContact CG1-CD2 4.24Å; D301-L305 VanDerWaalsContact O-CB 3.31Å; D301-L305 WeakPolarHBondContact O-CB 3.38Å; D301-L305 PolarHBondContact O-N 2.76Å; L302-L305 HydrophobicContact CD2-CD2 3.97Å; L302-L305 WeakPolarHBondContact O-CB 3.44Å; L302-L305 PolarHBondContact O-N 3.34Å; K303-L305 VanDerWaalsContact C-N 3.32Å; K303-L305 PolarHBondContact O-N 3.24Å; L305-E307 VanDerWaalsContact C-N 3.3Å; L305-E307 PolarHBondContact O-N 3.15Å; L305-Y308 PolarHBondContact O-N 2.97Å; L305-Y308 VanDerWaalsContact O-N 3.15Å; L305-L309 HydrophobicContact CD1-CD1 4.25Å; L305-L309 HydrophobicContact CD1-CG 4.22Å; L305-L309 HydrophobicContact CD2-CD1 4.43Å; L305-L309 HydrophobicContact CG-CD1 3.76Å; L305-L309 HydrophobicContact CG-CG 4.23Å; L305-L309 WeakPolarHBondContact O-CG 3.34Å; L305-L309 PolarHBondContact O-N 2.85Å; L305-V334 HydrophobicContact CD2-CG1 4.14Å
306F98.8Very high98.4Very high8 Ų849.7 Ų49.74%0.03527%0.269CS..Hα-helixtrans-60.2-38176.7-88.7-78.5000112.4V277 V280 L302 K303 Y308 L309 T310 I318 F320V277-F306 HydrophobicContact CB-CB 4.03Å; V277-F306 HydrophobicContact CB-CD1 3.98Å; V277-F306 HydrophobicContact CB-CD2 4.33Å; V277-F306 HydrophobicContact CB-CG 3.86Å; V277-F306 HydrophobicContact CG2-CB 3.85Å; V277-F306 HydrophobicContact CG2-CD2 4.48Å; V277-F306 HydrophobicContact CG2-CG 4.12Å; V280-F306 HydrophobicContact CG2-CD2 4.01Å; V280-F306 HydrophobicContact CG2-CE2 3.86Å; L302-F306 VanDerWaalsContact O-CD2 3.27Å; L302-F306 WeakPolarHBondContact O-CD2 3.32Å; L302-F306 PolarHBondContact O-N 3.4Å; K303-F306 PolarHBondContact O-N 3.1Å; F306-Y308 VanDerWaalsContact C-N 3.33Å; F306-Y308 PolarHBondContact O-N 2.91Å; F306-L309 HydrophobicContact CD1-CD1 4.49Å; F306-L309 PolarHBondContact O-N 2.68Å; F306-T310 PolarHBondContact O-N 3.11Å; F306-T310 PolarHBondContact O-OG1 3.2Å; F306-I318 HydrophobicContact CE1-CB 4.17Å; F306-I318 HydrophobicContact CE1-CG2 3.97Å; F306-I318 HydrophobicContact CZ-CG2 3.88Å; F306-F320 HydrophobicContact CE2-CB 4.14Å; F306-F320 HydrophobicContact CZ-CB 4.14Å
307E98.8Very high98.4Very high94 Ų9448.3 Ų48.344%0.43926%0.26SS..Hα-helixtrans-57.9-45.1174-66.4173-170.100111.4K303 L304 L305 L311K303-E307 IonicContact NZ-OE1 3.54Å; K303-E307 PolarHBondContact O-N 2.92Å; L304-E307 WeakPolarHBondContact O-CB 3.36Å; L304-E307 PolarHBondContact O-N 3.37Å; L305-E307 VanDerWaalsContact C-N 3.3Å; L305-E307 PolarHBondContact O-N 3.15Å; E307-L311 WeakPolarHBondContact O-CG 3.22Å; E307-L311 PolarHBondContact O-N 3.39Å
308Y98.9Very high98.4Very high58 Ų5844.7 Ų44.723%0.22724%0.244CC..Hα-helixtrans-70.2-36.9177.2-60.2-20.7000113.2P184 M185 I186 A189 L304 L305 F306 T310 L311 F312P184-Y308 WeakPolarHBondContact O-CE2 3.44Å; M185-Y308 HydrophobicContact CB-CD2 4.1Å; M185-Y308 HydrophobicContact CB-CE2 3.9Å; I186-Y308 HydrophobicContact CG1-CD2 4.47Å; I186-Y308 HydrophobicContact CG1-CE2 3.74Å; A189-Y308 HydrophobicContact CB-CD2 4.21Å; L304-Y308 HydrophobicContact CD1-CE1 3.88Å; L304-Y308 HydrophobicContact CD1-CE2 4.24Å; L304-Y308 HydrophobicContact CD2-CE2 4.22Å; L304-Y308 HydrophobicContact CG-CE1 4.38Å; L304-Y308 HydrophobicContact CG-CE2 3.85Å; L304-Y308 PolarHBondContact O-N 2.64Å; L305-Y308 PolarHBondContact O-N 2.97Å; L305-Y308 VanDerWaalsContact O-N 3.15Å; F306-Y308 VanDerWaalsContact C-N 3.33Å; F306-Y308 PolarHBondContact O-N 2.91Å; Y308-T310 VanDerWaalsContact C-N 3.33Å; Y308-T310 PolarHBondContact O-N 2.7Å; Y308-L311 HydrophobicContact CD1-CD1 4.48Å; Y308-L311 WeakPolarHBondContact O-CB 2.97Å; Y308-L311 PolarHBondContact O-N 3.37Å; Y308-F312 PolarHBondContact O-N 2.91Å
309L98.8Very high98.4Very high0 Ų045.2 Ų45.20%025%0.247CC..Hα-helixtrans-64.9-37.1177.8-67.9166.5000112L192 L305 F306 F312 G313 I314 D315 I318L192-L309 HydrophobicContact CB-CD2 3.8Å; L192-L309 HydrophobicContact CD1-CD1 4.04Å; L192-L309 HydrophobicContact CD1-CD2 3.81Å; L192-L309 HydrophobicContact CD1-CG 4.47Å; L192-L309 HydrophobicContact CG-CD2 4.48Å; L305-L309 HydrophobicContact CD1-CD1 4.25Å; L305-L309 HydrophobicContact CD1-CG 4.22Å; L305-L309 HydrophobicContact CD2-CD1 4.43Å; L305-L309 HydrophobicContact CG-CD1 3.76Å; L305-L309 HydrophobicContact CG-CG 4.23Å; L305-L309 WeakPolarHBondContact O-CG 3.34Å; L305-L309 PolarHBondContact O-N 2.85Å; F306-L309 HydrophobicContact CD1-CD1 4.49Å; F306-L309 PolarHBondContact O-N 2.68Å; L309-F312 CarbonylContact O-C 3.56Å; L309-F312 PolarHBondContact O-N 2.84Å; L309-G313 PolarHBondContact O-N 3.24Å; L309-I314 HydrophobicContact CB-CG1 4.3Å; L309-I314 HydrophobicContact CD2-CD1 3.43Å; L309-I314 VanDerWaalsContact CD2-CD1 3.43Å; L309-I314 HydrophobicContact CD2-CG1 3.82Å; L309-I314 PolarHBondContact O-N 2.91Å; L309-D315 HydrophobicContact CB-CB 4.3Å; L309-I318 HydrophobicContact CD1-CB 4.43Å; L309-I318 HydrophobicContact CD1-CG1 3.91Å; L309-I318 HydrophobicContact CD1-CG2 4.21Å; L309-I318 HydrophobicContact CD2-CG1 4.43Å
310T98.7Very high98.4Very high77 Ų7745.2 Ų45.247%0.47225%0.247SC..Hα-helixtrans-64.4-41.5172-610000111.3F306 Y308 F312 G313 D315F306-T310 PolarHBondContact O-N 3.11Å; F306-T310 PolarHBondContact O-OG1 3.2Å; Y308-T310 VanDerWaalsContact C-N 3.33Å; Y308-T310 PolarHBondContact O-N 2.7Å; T310-F312 VanDerWaalsContact C-N 3.27Å; T310-F312 PolarHBondContact O-N 3.01Å; T310-G313 PolarHBondContact O-N 2.97Å; T310-D315 WeakPolarHBondContact CA-OD1 3.46Å; T310-D315 VanDerWaalsContact OG1-CG 3.29Å; T310-D315 PolarHBondContact OG1-OD2 3.3Å
311L98.8Very high98.3Very high145 Ų14544 Ų4476%0.75923%0.233SC*.Hα-helixtrans-63.7-33174.5-66.5173.5000112.6E307 Y308 G313E307-L311 WeakPolarHBondContact O-CG 3.22Å; E307-L311 PolarHBondContact O-N 3.39Å; Y308-L311 HydrophobicContact CD1-CD1 4.48Å; Y308-L311 WeakPolarHBondContact O-CB 2.97Å; Y308-L311 PolarHBondContact O-N 3.37Å; L311-G313 VanDerWaalsContact C-N 3.26Å
312F98.8Very high98.2Very high82 Ų8242.2 Ų42.236%0.3622%0.224SC..THydrogen-bonded Turntrans-79.8-5.1173.2-71.8-16.5000114.3A189 K193 Y308 L309 T310 I314A189-F312 HydrophobicContact CB-CD2 4.21Å; A189-F312 HydrophobicContact CB-CE2 3.79Å; K193-F312 HydrophobicContact CB-CD2 3.91Å; K193-F312 HydrophobicContact CB-CE2 4.33Å; K193-F312 HydrophobicContact CD-CB 4.24Å; K193-F312 HydrophobicContact CG-CD2 4.36Å; K193-F312 PolarHBondContact NZ-O 3.46Å; Y308-F312 PolarHBondContact O-N 2.91Å; L309-F312 CarbonylContact O-C 3.56Å; L309-F312 PolarHBondContact O-N 2.84Å; T310-F312 VanDerWaalsContact C-N 3.27Å; T310-F312 PolarHBondContact O-N 3.01Å; F312-I314 HydrophobicContact CB-CG1 4.04Å
313G98.6Very high97.9Very high51 Ų5142.7 Ų42.753%0.52623%0.227SC..THydrogen-bonded Turntrans62.442.7179.200000113L309 T310 L311L309-G313 PolarHBondContact O-N 3.24Å; T310-G313 PolarHBondContact O-N 2.97Å; L311-G313 VanDerWaalsContact C-N 3.26Å
314I98.6Very high97.6Very high10 Ų1039.7 Ų39.75%0.05121%0.214CC..  trans-133.56.1-179.958.8161.5000113.6L192 K193 C196 L309 F312 D316 K317 I318L192-I314 HydrophobicContact CB-CD1 4.33Å; K193-I314 HydrophobicContact CB-CD1 4.18Å; K193-I314 HydrophobicContact CD-CD1 4.26Å; K193-I314 HydrophobicContact CD-CG2 3.96Å; C196-I314 HydrophobicContact CB-CG2 4.08Å; L309-I314 HydrophobicContact CB-CG1 4.3Å; L309-I314 HydrophobicContact CD2-CD1 3.43Å; L309-I314 VanDerWaalsContact CD2-CD1 3.43Å; L309-I314 HydrophobicContact CD2-CG1 3.82Å; L309-I314 PolarHBondContact O-N 2.91Å; F312-I314 HydrophobicContact CB-CG1 4.04Å; I314-D316 PolarHBondContact O-N 3.44Å; I314-K317 PolarHBondContact O-N 2.94Å; I314-I318 WeakPolarHBondContact O-CG1 3.45Å
315D97Very high97Very high62 Ų6238.2 Ų38.233%0.33221%0.208SC..G310 helixtrans-62-27-179.256.7-52.8000113.2L309 T310 K317 I318L309-D315 HydrophobicContact CB-CB 4.3Å; T310-D315 WeakPolarHBondContact CA-OD1 3.46Å; T310-D315 VanDerWaalsContact OG1-CG 3.29Å; T310-D315 PolarHBondContact OG1-OD2 3.3Å; D315-K317 PolarHBondContact O-N 3.43Å; D315-I318 PolarHBondContact O-N 3.25Å
316D95.9Very high95.8Very high111 Ų11141.3 Ų41.359%0.59422%0.22SC*.G310 helixtrans-64.7-21.2173.770.2-60.2000113.6I314I314-D316 PolarHBondContact O-N 3.44Å
317K97.3Very high94.1Very high47 Ų4743 Ų4320%0.20424%0.239CC..G310 helixtrans-93.3-2.1178.6-61.4-61.6179.8-177.10113.5D206 F207 V209 I314 D315D206-K317 IonicContact OD1-NZ 2.78Å; D206-K317 PolarHBondContact OD1-NZ 3.04Å; D206-K317 IonicContact OD2-NZ 3.17Å; F207-K317 HydrophobicContact CE2-CB 4.44Å; F207-K317 HydrophobicContact CE2-CG 4.49Å; V209-K317 PolarHBondContact N-O 3.27Å; I314-K317 PolarHBondContact O-N 2.94Å; D315-K317 PolarHBondContact O-N 3.43Å
318I98.3Very high92.3Very high9 Ų940.1 Ų40.15%0.04623%0.227CC..EExtended strand (participates in β ladder)trans-107.9127.8-172.6-52.5-53.7000110.5V209 V211 F306 L309 I314 D315V209-I318 HydrophobicContact CB-CD1 3.69Å; V209-I318 HydrophobicContact CG1-CD1 4.27Å; V209-I318 HydrophobicContact CG2-CD1 4.17Å; V209-I318 WeakPolarHBondContact O-CA 3.36Å; V211-I318 HydrophobicContact CB-CG2 4.15Å; V211-I318 HydrophobicContact CG2-CG2 3.54Å; F306-I318 HydrophobicContact CE1-CB 4.17Å; F306-I318 HydrophobicContact CE1-CG2 3.97Å; F306-I318 HydrophobicContact CZ-CG2 3.88Å; L309-I318 HydrophobicContact CD1-CB 4.43Å; L309-I318 HydrophobicContact CD1-CG1 3.91Å; L309-I318 HydrophobicContact CD1-CG2 4.21Å; L309-I318 HydrophobicContact CD2-CG1 4.43Å; I314-I318 WeakPolarHBondContact O-CG1 3.45Å; D315-I318 PolarHBondContact O-N 3.25Å
319S97.9Very high91.1Very high11 Ų1141.1 Ų41.18%0.07724%0.236CC..EExtended strand (participates in β ladder)trans-117.1114.6171.2179.50000109.3V209 K210 V211 G275 D321V209-S319 PolarHBondContact O-N 3.08Å; K210-S319 CarbonylContact C-O 3.54Å; K210-S319 VanDerWaalsContact CA-O 3.28Å; K210-S319 WeakPolarHBondContact CA-O 3.15Å; V211-S319 PolarHBondContact N-O 2.99Å; G275-S319 CarbonylContact O-C 3.47Å; G275-S319 WeakPolarHBondContact O-CA 3.49Å; S319-D321 PolarHBondContact O-N 3.2Å
320F98.4Very high90.2Very high0 Ų041.8 Ų41.80%024%0.239CC..EExtended strand (participates in β ladder)trans-66.5115.4163.1176.6-153000108.6V211 I216 H274 G275 L279 V280 L283 L299 L302 F306 L322V211-F320 WeakPolarHBondContact O-CA 3.46Å; V211-F320 WeakPolarHBondContact O-CD2 3.43Å; I216-F320 HydrophobicContact CD1-CE2 4.2Å; I216-F320 HydrophobicContact CD1-CZ 3.96Å; H274-F320 CarbonylContact C-O 3.43Å; H274-F320 WeakPolarHBondContact CA-O 3.34Å; G275-F320 PolarHBondContact N-O 3.28Å; G275-F320 WeakPolarHBondContact O-CB 3.28Å; G275-F320 PolarHBondContact O-N 2.95Å; L279-F320 HydrophobicContact CB-CD1 4.12Å; L279-F320 HydrophobicContact CD2-CD1 3.89Å; L279-F320 HydrophobicContact CD2-CE1 4.34Å; L279-F320 HydrophobicContact CD2-CG 4.42Å; L279-F320 HydrophobicContact CG-CD1 3.85Å; L279-F320 HydrophobicContact CG-CE1 4.1Å; V280-F320 HydrophobicContact CB-CD1 4.5Å; V280-F320 HydrophobicContact CG2-CD1 3.48Å; V280-F320 VanDerWaalsContact CG2-CD1 3.48Å; V280-F320 HydrophobicContact CG2-CE1 3.85Å; V280-F320 HydrophobicContact CG2-CG 4.25Å; L283-F320 HydrophobicContact CD1-CE1 3.78Å; L283-F320 HydrophobicContact CD1-CZ 4.03Å; L299-F320 HydrophobicContact CD2-CE1 4.09Å; L299-F320 HydrophobicContact CD2-CZ 4.12Å; L302-F320 HydrophobicContact CD1-CD2 3.75Å; L302-F320 HydrophobicContact CD1-CE1 4.39Å; L302-F320 HydrophobicContact CD1-CE2 3.56Å; L302-F320 HydrophobicContact CD1-CG 4.29Å; L302-F320 HydrophobicContact CD1-CZ 3.9Å; F306-F320 HydrophobicContact CE2-CB 4.14Å; F306-F320 HydrophobicContact CZ-CB 4.14Å; F320-L322 HydrophobicContact CD2-CD1 4.44Å; F320-L322 HydrophobicContact CE1-CD1 4.06Å; F320-L322 HydrophobicContact CE2-CD1 3.94Å; F320-L322 HydrophobicContact CE2-CG 4.16Å; F320-L322 HydrophobicContact CZ-CD1 3.73Å; F320-L322 HydrophobicContact CZ-CG 4.09Å
321D96.6Very high89.8Confident7 Ų739.9 Ų39.94%0.03722%0.223CC..EExtended strand (participates in β ladder)trans-132.5110.2-172.6-174.7-21.2000109.5K210 V211 H274 S319 S323 L324K210-D321 HydrophobicContact CB-CB 4.28Å; K210-D321 HydrophobicContact CD-CB 4.45Å; K210-D321 WeakPolarHBondContact CD-OD2 3.39Å; K210-D321 WeakPolarHBondContact CE-OD2 3.44Å; K210-D321 HydrophobicContact CG-CB 4.36Å; K210-D321 IonicContact NZ-OD2 3.96Å; K210-D321 PolarHBondContact NZ-OD2 3.1Å; V211-D321 PolarHBondContact O-N 3.45Å; H274-D321 HydrophobicContact CB-CB 4.05Å; S319-D321 PolarHBondContact O-N 3.2Å; D321-S323 PolarHBondContact O-N 3.25Å; D321-S323 VanDerWaalsContact OD1-CB 3.29Å; D321-S323 WeakPolarHBondContact OD1-CB 3.38Å; D321-S323 PolarHBondContact OD1-N 2.99Å; D321-S323 PolarHBondContact OD1-OG 3.47Å; D321-S323 PolarHBondContact OD2-OG 3.27Å; D321-L324 WeakPolarHBondContact O-CB 3.15Å; D321-L324 PolarHBondContact O-N 3.43Å; D321-L324 VanDerWaalsContact O-N 3.17Å
322L96Very high89.6Confident0 Ų035.4 Ų35.40%020%0.202CC..THydrogen-bonded Turntrans-71.7-14.4-175.2-76.185.8000112.9N212 M220 Q273 L279 L283 F320 L324N212-L322 PolarHBondContact ND2-O 3.48Å; M220-L322 HydrophobicContact SD-CD2 3.91Å; Q273-L322 HydrophobicContact CB-CD1 4.36Å; Q273-L322 WeakPolarHBondContact O-CD1 3.35Å; Q273-L322 PolarHBondContact O-N 2.97Å; L279-L322 HydrophobicContact CD2-CD1 3.81Å; L279-L322 HydrophobicContact CG-CD1 4.49Å; L283-L322 HydrophobicContact CD1-CD1 3.9Å; L283-L322 HydrophobicContact CD1-CD2 3.85Å; L283-L322 HydrophobicContact CD1-CG 4.43Å; F320-L322 HydrophobicContact CD2-CD1 4.44Å; F320-L322 HydrophobicContact CE1-CD1 4.06Å; F320-L322 HydrophobicContact CE2-CD1 3.94Å; F320-L322 HydrophobicContact CE2-CG 4.16Å; F320-L322 HydrophobicContact CZ-CD1 3.73Å; F320-L322 HydrophobicContact CZ-CG 4.09Å; L322-L324 VanDerWaalsContact C-N 3.27Å
323S92.9Very high89.4Confident11 Ų1131.6 Ų31.68%0.07719%0.185CC..THydrogen-bonded Turntrans-75-17.5174.1760000113V271 D321 A325V271-S323 WeakPolarHBondContact O-CB 3.44Å; D321-S323 PolarHBondContact O-N 3.25Å; D321-S323 VanDerWaalsContact OD1-CB 3.29Å; D321-S323 WeakPolarHBondContact OD1-CB 3.38Å; D321-S323 PolarHBondContact OD1-N 2.99Å; D321-S323 PolarHBondContact OD1-OG 3.47Å; D321-S323 PolarHBondContact OD2-OG 3.27Å; S323-A325 VanDerWaalsContact C-N 3.34Å; S323-A325 PolarHBondContact O-N 3.19Å
324L92.7Very high89.4Confident5 Ų529.2 Ų29.23%0.02616%0.161CC..  trans-71.790.5178.5-179.166.5000109.9K210 N212 D321 L322 R326 I335 E337K210-L324 HydrophobicContact CB-CD2 3.98Å; K210-L324 WeakPolarHBondContact O-CD2 3.25Å; N212-L324 HydrophobicContact CB-CB 4.03Å; N212-L324 HydrophobicContact CB-CD2 4.29Å; N212-L324 HydrophobicContact CB-CG 4.41Å; N212-L324 WeakPolarHBondContact CB-O 3.39Å; N212-L324 PolarHBondContact ND2-O 3.31Å; D321-L324 WeakPolarHBondContact O-CB 3.15Å; D321-L324 PolarHBondContact O-N 3.43Å; D321-L324 VanDerWaalsContact O-N 3.17Å; L322-L324 VanDerWaalsContact C-N 3.27Å; L324-R326 HydrophobicContact CD1-CB 3.86Å; L324-I335 HydrophobicContact CD2-CG2 4.18Å; L324-I335 HydrophobicContact CG-CG2 4.24Å; L324-E337 HydrophobicContact CD1-CB 3.84Å; L324-E337 HydrophobicContact CD2-CB 4.36Å
325A86.1Confident89.3Confident13 Ų1329 Ų2911%0.10716%0.16CC..  trans-109.114.9174.600000112.3L217 C235 V238 S323 G327L217-A325 HydrophobicContact CD1-CB 4.02Å; L217-A325 HydrophobicContact CD2-CB 4.27Å; C235-A325 HydrophobicContact CB-CB 4.31Å; V238-A325 HydrophobicContact CB-CB 4.45Å; V238-A325 HydrophobicContact CG1-CB 4.32Å; S323-A325 VanDerWaalsContact C-N 3.34Å; S323-A325 PolarHBondContact O-N 3.19Å; A325-G327 PolarHBondContact O-N 2.88Å
326R74.3Confident89.3Confident67 Ų6726.1 Ų26.125%0.25314%0.144SC..  trans-68.9127.5-177.1-148.4173.2-136.5134.439.9110.4D239 D242 L324 I335 E337D239-R326 VanDerWaalsContact OD1-CA 3.24Å; D239-R326 WeakPolarHBondContact OD1-CA 3.44Å; D239-R326 WeakPolarHBondContact OD1-CB 3.45Å; D239-R326 WeakPolarHBondContact OD1-CG 3.28Å; D239-R326 PolarHBondContact OD1-N 2.64Å; D239-R326 IonicContact OD2-NE 3.12Å; D239-R326 IonicContact OD2-NH2 3.39Å; D239-R326 PolarHBondContact OD2-NH2 2.82Å; D242-R326 IonicContact OD2-CZ 3.78Å; D242-R326 IonicContact OD2-NH1 3.3Å; D242-R326 PolarHBondContact OD2-NH1 3Å; D242-R326 IonicContact OD2-NH2 3.98Å; D242-R326 PolarHBondContact OD2-NH2 2.85Å; L324-R326 HydrophobicContact CD1-CB 3.86Å; R326-I335 WeakPolarHBondContact O-CG2 3.45Å; R326-E337 VanDerWaalsContact CD-OE1 3.22Å; R326-E337 WeakPolarHBondContact CD-OE1 3.3Å; R326-E337 IonicContact CZ-OE1 3.93Å; R326-E337 IonicContact CZ-OE2 3.04Å; R326-E337 IonicContact NE-OE1 3.33Å; R326-E337 IonicContact NH1-OE1 2.74Å; R326-E337 PolarHBondContact NH1-OE1 3.18Å; R326-E337 IonicContact NH1-OE2 3.21Å; R326-E337 PolarHBondContact NH1-OE2 3.26Å
327G63.3Low89.3Confident42 Ų4221.2 Ų21.243%0.43312%0.118SC..  trans179.1140.3175.400000113.5A325A325-G327 PolarHBondContact O-N 2.88Å
328L60.8Low89.2Confident34 Ų3419 Ų1918%0.17811%0.108CC..  trans-61.4146.1157.8-66.8164.5000107Y107 Y330 Y331Y107-L328 HydrophobicContact CD1-CD2 4.2Å; L328-Y330 HydrophobicContact CB-CD1 3.57Å; L328-Y330 HydrophobicContact CB-CD2 4.38Å; L328-Y330 HydrophobicContact CB-CE1 3.25Å; L328-Y330 HydrophobicContact CB-CE2 4.11Å; L328-Y330 HydrophobicContact CB-CG 4.16Å; L328-Y330 HydrophobicContact CD1-CE1 3.47Å; L328-Y330 VanDerWaalsContact CD1-CE1 3.47Å; L328-Y330 VanDerWaalsContact CD1-CZ 3.48Å; L328-Y330 WeakPolarHBondContact CD1-OH 3.47Å; L328-Y330 HydrophobicContact CG-CE1 3.91Å; L328-Y330 PolarHBondContact O-N 3.47Å; L328-Y331 PolarHBondContact O-N 3.49Å
329D72.6Confident89Confident80 Ų8019.7 Ų19.743%0.42811%0.113SC..THydrogen-bonded Turntrans-53.3-3.1-172.9-84.8-7.5000115.2G108 R232G108-D329 WeakPolarHBondContact CA-OD2 3.46Å; R232-D329 IonicContact CZ-OD2 2.81Å; R232-D329 IonicContact NH1-OD1 3.81Å; R232-D329 IonicContact NH1-OD2 2.65Å; R232-D329 PolarHBondContact NH1-OD2 3.17Å; R232-D329 IonicContact NH2-OD2 3.79Å
330Y79.8Confident88.6Confident14 Ų1419.7 Ų19.76%0.05511%0.112CC..THydrogen-bonded Turntrans-98.2-7.8-174.358.8-120.1000116.1T132 L328 Y363 L366T132-Y330 HydrophobicContact CG2-CE2 4.28Å; L328-Y330 HydrophobicContact CB-CD1 3.57Å; L328-Y330 HydrophobicContact CB-CD2 4.38Å; L328-Y330 HydrophobicContact CB-CE1 3.25Å; L328-Y330 HydrophobicContact CB-CE2 4.11Å; L328-Y330 HydrophobicContact CB-CG 4.16Å; L328-Y330 HydrophobicContact CD1-CE1 3.47Å; L328-Y330 VanDerWaalsContact CD1-CE1 3.47Å; L328-Y330 VanDerWaalsContact CD1-CZ 3.48Å; L328-Y330 WeakPolarHBondContact CD1-OH 3.47Å; L328-Y330 HydrophobicContact CG-CE1 3.91Å; L328-Y330 PolarHBondContact O-N 3.47Å; Y330-Y363 HydrophobicContact CD2-CG 4.06Å; Y330-Y363 HydrophobicContact CE2-CD1 4.36Å; Y330-Y363 HydrophobicContact CE2-CG 4.22Å; Y330-Y363 WeakPolarHBondContact O-CA 3.42Å; Y330-Y363 VanDerWaalsContact O-CB 3.28Å; Y330-Y363 WeakPolarHBondContact O-CB 3.45Å; Y330-L366 HydrophobicContact CD1-CD2 4.36Å; Y330-L366 HydrophobicContact CG-CD2 4.37Å
331Y90.9Very high88.1Confident36 Ų3623 Ų2314%0.14113%0.129CC..  trans-69.4139.2177.3-68.9-48.2000112L328 I335 G360 G361 R362 Y363L328-Y331 PolarHBondContact O-N 3.49Å; Y331-I335 HydrophobicContact CD2-CD1 4.2Å; Y331-I335 HydrophobicContact CD2-CG1 3.98Å; Y331-I335 HydrophobicContact CD2-CG2 4.42Å; Y331-I335 HydrophobicContact CE2-CG2 4.47Å; Y331-I335 HydrophobicContact CG-CG1 4.12Å; Y331-G360 WeakPolarHBondContact OH-CA 3.46Å; Y331-G361 VanDerWaalsContact CE1-CA 3.5Å; Y331-R362 CarbonylContact C-O 3.54Å; Y331-R362 VanDerWaalsContact CA-O 3.28Å; Y331-R362 WeakPolarHBondContact CA-O 3.11Å; Y331-R362 WeakPolarHBondContact CD1-O 3.48Å; Y331-Y363 HydrophobicContact CD1-CD1 4.42Å; Y331-Y363 HydrophobicContact CE1-CD1 4.24Å
332T94.1Very high86.9Confident52 Ų5227.5 Ų27.532%0.31915%0.15SC..  trans-127.5-9.8-174.259.20000114.2R362 D364T332-R362 PolarHBondContact N-O 3.34Å; T332-D364 PolarHBondContact OG1-N 2.84Å
333G96.3Very high85Confident1 Ų133 Ų331%0.0118%0.184CC..SBendtrans-143.4-128.6179.600000110.4D213 R214 R362D213-G333 VanDerWaalsContact CG-C 3.47Å; D213-G333 WeakPolarHBondContact OD2-CA 3.31Å; R214-G333 WeakPolarHBondContact CB-O 3.5Å; R214-G333 PolarHBondContact N-O 3.1Å; G333-R362 PolarHBondContact N-O 3.37Å
334V97.8Very high82.5Confident1 Ų138.5 Ų38.51%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-58.2146.7-180-640000112.8M185 D188 N212 D213 L302 L305 Y336 G361 R362M185-V334 HydrophobicContact CE-CG1 3.46Å; M185-V334 VanDerWaalsContact CE-CG1 3.46Å; D188-V334 HydrophobicContact CB-CG2 4.15Å; D188-V334 WeakPolarHBondContact OD1-CG2 3.06Å; N212-V334 CarbonylContact O-C 3.58Å; N212-V334 WeakPolarHBondContact O-CA 3.33Å; D213-V334 PolarHBondContact OD2-N 3.36Å; D213-V334 VanDerWaalsContact OD2-N 3.12Å; L302-V334 HydrophobicContact CD2-CG1 3.87Å; L305-V334 HydrophobicContact CD2-CG1 4.14Å; V334-Y336 HydrophobicContact CG2-CD1 4.35Å; V334-Y336 HydrophobicContact CG2-CE1 4.1Å; V334-G361 CarbonylContact O-C 3.51Å; V334-G361 WeakPolarHBondContact O-CA 3.15Å; V334-R362 HydrophobicContact CG2-CB 4.04Å; V334-R362 PolarHBondContact O-N 2.83Å
335I96.7Very high79.9Confident6 Ų641.8 Ų41.83%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-134.2139.1175.4-58.9174000106.3V211 N212 R214 L324 R326 Y331V211-I335 CarbonylContact C-O 3.51Å; V211-I335 WeakPolarHBondContact CA-O 3.3Å; N212-I335 PolarHBondContact N-O 3.24Å; N212-I335 PolarHBondContact O-N 2.93Å; N212-I335 VanDerWaalsContact O-O 3.13Å; R214-I335 HydrophobicContact CB-CD1 4.27Å; L324-I335 HydrophobicContact CD2-CG2 4.18Å; L324-I335 HydrophobicContact CG-CG2 4.24Å; R326-I335 WeakPolarHBondContact O-CG2 3.45Å; Y331-I335 HydrophobicContact CD2-CD1 4.2Å; Y331-I335 HydrophobicContact CD2-CG1 3.98Å; Y331-I335 HydrophobicContact CD2-CG2 4.42Å; Y331-I335 HydrophobicContact CE2-CG2 4.47Å; Y331-I335 HydrophobicContact CG-CG1 4.12Å
336Y96.9Very high77.6Confident2 Ų249.9 Ų49.91%0.00828%0.283CS..EExtended strand (participates in β ladder)trans-146.6152.3178.843.4-99.8000113.3C191 L192 M195 K210 V334 A359 G360 G381 L382C191-Y336 VanDerWaalsContact CB-OH 3.23Å; C191-Y336 WeakPolarHBondContact CB-OH 3.06Å; L192-Y336 HydrophobicContact CD2-CD1 3.9Å; L192-Y336 HydrophobicContact CD2-CD2 4.03Å; L192-Y336 HydrophobicContact CD2-CE1 4.43Å; L192-Y336 HydrophobicContact CD2-CG 3.67Å; L192-Y336 HydrophobicContact CG-CD1 4.39Å; M195-Y336 HydrophobicContact CE-CD2 3.51Å; M195-Y336 HydrophobicContact CE-CE2 3.57Å; M195-Y336 HydrophobicContact SD-CD2 4.4Å; K210-Y336 CarbonylContact O-C 3.54Å; K210-Y336 WeakPolarHBondContact O-CA 3.4Å; K210-Y336 WeakPolarHBondContact O-CB 3.28Å; V334-Y336 HydrophobicContact CG2-CD1 4.35Å; V334-Y336 HydrophobicContact CG2-CE1 4.1Å; Y336-A359 CarbonylContact O-C 3.56Å; Y336-A359 VanDerWaalsContact O-CA 3.23Å; Y336-A359 WeakPolarHBondContact O-CA 3.22Å; Y336-G360 VanDerWaalsContact CE2-C 3.45Å; Y336-G360 PolarHBondContact N-O 3.39Å; Y336-G360 PolarHBondContact O-N 2.73Å; Y336-G381 VanDerWaalsContact OH-C 3.26Å; Y336-G381 PolarHBondContact OH-O 3.49Å; Y336-L382 HydrophobicContact CE2-CB 3.92Å
337E95.6Very high75.6Confident8 Ų852.1 Ų52.14%0.03732%0.316CS..EExtended strand (participates in β ladder)trans-145.1123.7-179.5176.4160.4-108.400110.6K210 L324 R326 V339 S356 A358K210-E337 PolarHBondContact N-O 3.21Å; K210-E337 PolarHBondContact O-N 3.4Å; L324-E337 HydrophobicContact CD1-CB 3.84Å; L324-E337 HydrophobicContact CD2-CB 4.36Å; R326-E337 VanDerWaalsContact CD-OE1 3.22Å; R326-E337 WeakPolarHBondContact CD-OE1 3.3Å; R326-E337 IonicContact CZ-OE1 3.93Å; R326-E337 IonicContact CZ-OE2 3.04Å; R326-E337 IonicContact NE-OE1 3.33Å; R326-E337 IonicContact NH1-OE1 2.74Å; R326-E337 PolarHBondContact NH1-OE1 3.18Å; R326-E337 IonicContact NH1-OE2 3.21Å; R326-E337 PolarHBondContact NH1-OE2 3.26Å; E337-V339 HydrophobicContact CG-CG1 4.27Å; E337-S356 VanDerWaalsContact CD-OG 3.31Å; E337-S356 WeakPolarHBondContact CG-OG 3.32Å; E337-S356 WeakPolarHBondContact OE1-CB 3.24Å; E337-S356 PolarHBondContact OE1-OG 3.33Å; E337-A358 CarbonylContact C-O 3.51Å; E337-A358 WeakPolarHBondContact CA-O 3.42Å
338A95.8Very high74.3Confident0 Ų054 Ų540%034%0.335CS..EExtended strand (participates in β ladder)trans-88.8127.1171.400000110.7M195 L199 L208 V209 S356 V357 A358M195-A338 HydrophobicContact CG-CB 4.3Å; M195-A338 HydrophobicContact SD-CB 3.68Å; L199-A338 HydrophobicContact CD1-CB 3.52Å; L208-A338 WeakPolarHBondContact O-CA 3.22Å; V209-A338 HydrophobicContact CG2-CB 4.17Å; A338-S356 CarbonylContact O-C 3.51Å; A338-S356 VanDerWaalsContact O-CA 3.31Å; A338-S356 WeakPolarHBondContact O-CA 3.15Å; A338-V357 HydrophobicContact CB-CG2 4.1Å; A338-V357 WeakPolarHBondContact O-CG2 3.31Å; A338-V357 PolarHBondContact O-N 2.93Å; A338-A358 HydrophobicContact CB-CB 4Å; A338-A358 PolarHBondContact N-O 3.22Å
339V93.3Very high73Confident24 Ų2460.1 Ų60.115%0.14536%0.363CS..EExtended strand (participates in β ladder)trans-114.7142.9172-62.80000108.9F207 L208 E337F207-V339 CarbonylContact C-O 3.57Å; F207-V339 VanDerWaalsContact CA-O 3.29Å; F207-V339 WeakPolarHBondContact CA-O 3.47Å; F207-V339 WeakPolarHBondContact CB-O 3.32Å; L208-V339 HydrophobicContact CB-CG2 4.17Å; L208-V339 PolarHBondContact N-O 3.14Å; L208-V339 PolarHBondContact O-N 2.92Å; E337-V339 HydrophobicContact CG-CG1 4.27Å
340L90.9Very high71.1Confident11 Ų1164.9 Ų64.96%0.05838%0.382CS..EExtended strand (participates in β ladder)trans-78.2143.3170.8-65177.8000108.9I204 F207 V354 V357 I392I204-L340 HydrophobicContact CD1-CD2 3.89Å; I204-L340 HydrophobicContact CG1-CD2 4Å; F207-L340 HydrophobicContact CB-CD2 4.01Å; L340-V354 HydrophobicContact CB-CB 4.17Å; L340-V354 HydrophobicContact CB-CG1 3.47Å; L340-V354 VanDerWaalsContact CB-CG1 3.47Å; L340-V354 HydrophobicContact CD1-CG1 4.06Å; L340-V354 HydrophobicContact CG-CG1 4.33Å; L340-V354 WeakPolarHBondContact O-CB 3.43Å; L340-V357 HydrophobicContact CD1-CG1 3.73Å; L340-V357 HydrophobicContact CD2-CG1 4.41Å; L340-V357 HydrophobicContact CD2-CG2 4.02Å; L340-V357 HydrophobicContact CG-CB 4.49Å; L340-V357 HydrophobicContact CG-CG1 3.72Å; L340-V357 HydrophobicContact CG-CG2 3.97Å; L340-I392 HydrophobicContact CD1-CD1 3.27Å
341L86Confident69.1Low70 Ų7068.9 Ų68.937%0.36641%0.41SS..PPolyproline II helixtrans-91.2141.3173.7-60.5178.6000108.6D206 L208 T343D206-L341 HydrophobicContact CB-CB 4.31Å; D206-L341 HydrophobicContact CB-CD1 4.42Å; D206-L341 PolarHBondContact O-N 3.27Å; L208-L341 HydrophobicContact CB-CD1 4.26Å; L208-L341 HydrophobicContact CB-CD2 3.9Å; L208-L341 HydrophobicContact CB-CG 4.19Å; L341-T343 PolarHBondContact O-N 2.99Å
342Q72.6Confident66.7Low101 Ų10174 Ų7447%0.47244%0.439SS..PPolyproline II helixtrans-69130.5170.9-71.4-174.1-12.800109.5L352 V354Q342-L352 PolarHBondContact NE2-O 2.74Å; Q342-V354 HydrophobicContact CB-CG2 4.44Å; Q342-V354 HydrophobicContact CG-CG2 3.23Å
343T56.1Low64.4Low115 Ų11575 Ų7571%0.70646%0.46SS*.PPolyproline II helixtrans-68131.4148.5-20.10000106.3L341 A345L341-T343 PolarHBondContact O-N 2.99Å; T343-A345 PolarHBondContact O-N 3.26Å
344P39.2Very low62.6Low126 Ų12677.2 Ų77.282%0.81847%0.473SS*.  trans-59104.3177.320.8-30.2000109.5
345A38.7Very low61.3Low75 Ų7578.5 Ų78.562%0.6249%0.487SS*.  trans-78150.3170.100000108.9T343T343-A345 PolarHBondContact O-N 3.26Å
346Q37.6Very low60.8Low182 Ų18279.8 Ų79.885%0.8550%0.496SS*.  trans-49.3147.8-173.5-69.2164.3-14.300113.1G348Q346-G348 PolarHBondContact O-N 3.38Å; Q346-G348 VanDerWaalsContact O-N 3.1Å
347A32Very low60.6Low115 Ų11579.7 Ų79.795%0.9550%0.496SS*.THydrogen-bonded Turntrans-50.7114.4-178.400000112.2
348G37.4Very low60.6Low82 Ų8279.5 Ų79.585%0.84550%0.495SS*.THydrogen-bonded Turntrans139.7-12.4170.200000116.6Q346Q346-G348 PolarHBondContact O-N 3.38Å; Q346-G348 VanDerWaalsContact O-N 3.1Å
349E33.9Very low60.6Low161 Ų16181 Ų8175%0.75251%0.508SS*.SBendtrans-96.3130.4173.4-67.7-171.6171.800110.9
350E32.1Very low60.8Low180 Ų18080 Ų8084%0.84150%0.502SS*.  trans-61.4137.6171.9-77.7-150.4163.100110.1L352E350-L352 PolarHBondContact O-N 2.58Å
351P38.1Very low61.1Low98 Ų9879.5 Ų79.564%0.63650%0.5SS*.  trans-63.1104.218023.2-29.9000109.7G353P351-G353 PolarHBondContact O-N 2.95Å
352L40.8Very low61.7Low143 Ų14377.8 Ų77.875%0.74949%0.489SS*.  trans-60.7103.8159.4-86.3153.1000106.5Q342 E350 V354Q342-L352 PolarHBondContact NE2-O 2.74Å; E350-L352 PolarHBondContact O-N 2.58Å; L352-V354 WeakPolarHBondContact O-CG2 3.11Å; L352-V354 PolarHBondContact O-N 2.88Å
353G44.4Very low62.8Low73 Ų7373.1 Ų73.175%0.75347%0.467SS*.  trans-49.2112.4172.300000109.1P351 G355P351-G353 PolarHBondContact O-N 2.95Å; G353-G355 PolarHBondContact O-N 2.83Å
354V58.3Low64.8Low49 Ų4969.7 Ų69.730%0.29744%0.444SS..  trans-8191.3-169.6-155.30000107.5L340 Q342 L352L340-V354 HydrophobicContact CB-CB 4.17Å; L340-V354 HydrophobicContact CB-CG1 3.47Å; L340-V354 VanDerWaalsContact CB-CG1 3.47Å; L340-V354 HydrophobicContact CD1-CG1 4.06Å; L340-V354 HydrophobicContact CG-CG1 4.33Å; L340-V354 WeakPolarHBondContact O-CB 3.43Å; Q342-V354 HydrophobicContact CB-CG2 4.44Å; Q342-V354 HydrophobicContact CG-CG2 3.23Å; L352-V354 WeakPolarHBondContact O-CG2 3.11Å; L352-V354 PolarHBondContact O-N 2.88Å
355G70.9Confident67.4Low28 Ų2864.8 Ų64.829%0.28942%0.417SS..  trans-65.8169.6-167.900000114.2G353 V357 R388G353-G355 PolarHBondContact O-N 2.83Å; G355-V357 PolarHBondContact O-N 2.81Å; G355-R388 PolarHBondContact O-NH1 3Å
356S86.1Confident70.1Confident32 Ų3261.3 Ų61.322%0.22439%0.387CS..EExtended strand (participates in β ladder)trans-41126.2172.4-1780000116.2E337 A338 R388E337-S356 VanDerWaalsContact CD-OG 3.31Å; E337-S356 WeakPolarHBondContact CG-OG 3.32Å; E337-S356 WeakPolarHBondContact OE1-CB 3.24Å; E337-S356 PolarHBondContact OE1-OG 3.33Å; A338-S356 CarbonylContact O-C 3.51Å; A338-S356 VanDerWaalsContact O-CA 3.31Å; A338-S356 WeakPolarHBondContact O-CA 3.15Å; S356-R388 PolarHBondContact O-NH1 3.06Å
357V93Very high73Confident1 Ų152.7 Ų52.71%0.00635%0.347CS..EExtended strand (participates in β ladder)trans-113.1-13.6177.8-720000113.6L199 A338 L340 G355 G385 R388L199-V357 HydrophobicContact CD1-CG2 4.36Å; L199-V357 HydrophobicContact CD2-CB 4.5Å; L199-V357 HydrophobicContact CD2-CG2 3.85Å; A338-V357 HydrophobicContact CB-CG2 4.1Å; A338-V357 WeakPolarHBondContact O-CG2 3.31Å; A338-V357 PolarHBondContact O-N 2.93Å; L340-V357 HydrophobicContact CD1-CG1 3.73Å; L340-V357 HydrophobicContact CD2-CG1 4.41Å; L340-V357 HydrophobicContact CD2-CG2 4.02Å; L340-V357 HydrophobicContact CG-CB 4.49Å; L340-V357 HydrophobicContact CG-CG1 3.72Å; L340-V357 HydrophobicContact CG-CG2 3.97Å; G355-V357 PolarHBondContact O-N 2.81Å; V357-G385 WeakPolarHBondContact O-CA 3.44Å; V357-G385 PolarHBondContact O-N 3.4Å; V357-R388 HydrophobicContact CG1-CG 4.16Å
358A95.7Very high76Confident3 Ų347.9 Ų47.93%0.02531%0.308CS..EExtended strand (participates in β ladder)trans-154.5152.7170.300000109.5M195 E337 A338 S383 I384M195-A358 HydrophobicContact CE-CB 3.81Å; M195-A358 HydrophobicContact CG-CB 4.01Å; M195-A358 HydrophobicContact SD-CB 3.81Å; E337-A358 CarbonylContact C-O 3.51Å; E337-A358 WeakPolarHBondContact CA-O 3.42Å; A338-A358 HydrophobicContact CB-CB 4Å; A338-A358 PolarHBondContact N-O 3.22Å; A358-S383 VanDerWaalsContact CA-O 3.26Å; A358-S383 WeakPolarHBondContact CA-O 3.48Å; A358-I384 HydrophobicContact CB-CD1 3.62Å
359A95.6Very high78.7Confident33 Ų3349.1 Ų49.127%0.27329%0.294SS..EExtended strand (participates in β ladder)trans-149.5163175.200000110.5Y336 L382 S383Y336-A359 CarbonylContact O-C 3.56Å; Y336-A359 VanDerWaalsContact O-CA 3.23Å; Y336-A359 WeakPolarHBondContact O-CA 3.22Å; A359-L382 CarbonylContact O-C 3.55Å; A359-L382 WeakPolarHBondContact O-CA 3.19Å; A359-S383 PolarHBondContact N-O 3.2Å; A359-S383 PolarHBondContact O-N 3.3Å
360G96.6Very high81.6Confident2 Ų243.5 Ų43.52%0.02127%0.267CS..EExtended strand (participates in β ladder)trans177.8-170.3176.900000112.7Y331 Y336 G381Y331-G360 WeakPolarHBondContact OH-CA 3.46Å; Y336-G360 VanDerWaalsContact CE2-C 3.45Å; Y336-G360 PolarHBondContact N-O 3.39Å; Y336-G360 PolarHBondContact O-N 2.73Å; G360-G381 CarbonylContact C-O 3.59Å; G360-G381 WeakPolarHBondContact CA-O 2.98Å
361G97.5Very high84.6Confident0 Ų035.9 Ų35.90%023%0.232CC..EExtended strand (participates in β ladder)trans164.6-177.8-179.500000113.6Y331 V334 Y363 G381Y331-G361 VanDerWaalsContact CE1-CA 3.5Å; V334-G361 CarbonylContact O-C 3.51Å; V334-G361 WeakPolarHBondContact O-CA 3.15Å; G361-Y363 WeakPolarHBondContact O-CD1 3.36Å; G361-G381 PolarHBondContact N-O 2.99Å; G361-G381 PolarHBondContact O-N 2.75Å; G361-G381 VanDerWaalsContact O-N 3.11Å
362R98.3Very high87.2Confident35 Ų3537.4 Ų37.413%0.13224%0.242CC..EExtended strand (participates in β ladder)trans-95.4134.2178.1172.3166.8-70.2-78.64.5111.5D188 Y331 T332 G333 V334 D364 C379 V380D188-R362 VanDerWaalsContact CG-NH2 3.31Å; D188-R362 IonicContact OD1-CZ 2.66Å; D188-R362 IonicContact OD1-NE 2.94Å; D188-R362 PolarHBondContact OD1-NE 3.1Å; D188-R362 IonicContact OD1-NH2 3.61Å; D188-R362 PolarHBondContact OD1-NH2 3.32Å; D188-R362 IonicContact OD2-CZ 2.97Å; D188-R362 IonicContact OD2-NE 3.2Å; D188-R362 IonicContact OD2-NH2 2.69Å; D188-R362 PolarHBondContact OD2-NH2 3.3Å; Y331-R362 CarbonylContact C-O 3.54Å; Y331-R362 VanDerWaalsContact CA-O 3.28Å; Y331-R362 WeakPolarHBondContact CA-O 3.11Å; Y331-R362 WeakPolarHBondContact CD1-O 3.48Å; T332-R362 PolarHBondContact N-O 3.34Å; G333-R362 PolarHBondContact N-O 3.37Å; V334-R362 HydrophobicContact CG2-CB 4.04Å; V334-R362 PolarHBondContact O-N 2.83Å; R362-D364 WeakPolarHBondContact CD-OD2 3.29Å; R362-D364 WeakPolarHBondContact CG-OD1 3.32Å; R362-D364 IonicContact CZ-OD1 3.79Å; R362-D364 IonicContact NH1-OD1 2.73Å; R362-D364 PolarHBondContact NH1-OD1 2.91Å; R362-D364 IonicContact NH1-OD2 3.82Å; R362-C379 CarbonylContact C-O 3.54Å; R362-C379 WeakPolarHBondContact CA-O 2.97Å; R362-V380 HydrophobicContact CB-CB 4.32Å; R362-V380 HydrophobicContact CB-CG2 4.32Å
363Y96.9Very high89.8Confident3 Ų339.9 Ų39.91%0.01225%0.246CC..  trans-142.963-171.657.6-89.7000113.7T132 D177 Y330 Y331 G361 G365 L366 C379T132-Y363 HydrophobicContact CG2-CD2 4.15Å; T132-Y363 HydrophobicContact CG2-CE1 4.05Å; T132-Y363 HydrophobicContact CG2-CE2 3.59Å; D177-Y363 VanDerWaalsContact CG-OH 3.31Å; D177-Y363 WeakPolarHBondContact OD1-CE1 3.4Å; D177-Y363 PolarHBondContact OD1-OH 3.25Å; Y330-Y363 HydrophobicContact CD2-CG 4.06Å; Y330-Y363 HydrophobicContact CE2-CD1 4.36Å; Y330-Y363 HydrophobicContact CE2-CG 4.22Å; Y330-Y363 WeakPolarHBondContact O-CA 3.42Å; Y330-Y363 VanDerWaalsContact O-CB 3.28Å; Y330-Y363 WeakPolarHBondContact O-CB 3.45Å; Y331-Y363 HydrophobicContact CD1-CD1 4.42Å; Y331-Y363 HydrophobicContact CE1-CD1 4.24Å; G361-Y363 WeakPolarHBondContact O-CD1 3.36Å; Y363-G365 PolarHBondContact O-N 3.2Å; Y363-G365 VanDerWaalsContact O-N 3.07Å; Y363-L366 HydrophobicContact CD2-CB 3.86Å; Y363-L366 HydrophobicContact CD2-CD2 3.9Å; Y363-L366 HydrophobicContact CE2-CD2 4.14Å; Y363-L366 PolarHBondContact O-N 3.04Å; Y363-C379 HydrophobicContact CD1-CB 4.36Å; Y363-C379 HydrophobicContact CD2-CB 3.71Å; Y363-C379 HydrophobicContact CE1-CB 4.01Å; Y363-C379 HydrophobicContact CE2-CB 3.26Å; Y363-C379 HydrophobicContact CG-CB 4.21Å; Y363-C379 VanDerWaalsContact CZ-CB 3.43Å; Y363-C379 PolarHBondContact N-O 2.86Å
364D97.1Very high92.2Very high42 Ų4238.4 Ų38.423%0.22523%0.231CC..THydrogen-bonded Turntrans-70.3-13.2-168-56.8-29.8000114.9T332 R362 P378 C379T332-D364 PolarHBondContact OG1-N 2.84Å; R362-D364 WeakPolarHBondContact CD-OD2 3.29Å; R362-D364 WeakPolarHBondContact CG-OD1 3.32Å; R362-D364 IonicContact CZ-OD1 3.79Å; R362-D364 IonicContact NH1-OD1 2.73Å; R362-D364 PolarHBondContact NH1-OD1 2.91Å; R362-D364 IonicContact NH1-OD2 3.82Å; D364-P378 HydrophobicContact CB-CB 4.23Å; D364-P378 WeakPolarHBondContact OD1-CA 3.33Å; D364-P378 WeakPolarHBondContact OD1-CB 3.34Å; D364-C379 PolarHBondContact OD1-N 3.48Å
365G95.3Very high94Very high24 Ų2440.8 Ų40.825%0.24724%0.235CC..THydrogen-bonded Turntrans-86.5-21.6-178.800000114.7Y363 G368 M369Y363-G365 PolarHBondContact O-N 3.2Å; Y363-G365 VanDerWaalsContact O-N 3.07Å; G365-G368 PolarHBondContact O-N 3.12Å; G365-M369 PolarHBondContact O-N 3.31Å
366L95.2Very high95.2Very high1 Ų146.7 Ų46.71%0.00525%0.253CS..THydrogen-bonded Turntrans-68.9-44.7-163.7-173.461.1000112.9K106 T132 V133 A136 Y330 Y363 G368 M369 F370K106-L366 HydrophobicContact CD-CD1 4.48Å; T132-L366 HydrophobicContact CG2-CD2 3.77Å; V133-L366 HydrophobicContact CG2-CD2 4.38Å; A136-L366 HydrophobicContact CB-CB 4.45Å; A136-L366 HydrophobicContact CB-CD2 3.86Å; A136-L366 HydrophobicContact CB-CG 3.69Å; Y330-L366 HydrophobicContact CD1-CD2 4.36Å; Y330-L366 HydrophobicContact CG-CD2 4.37Å; Y363-L366 HydrophobicContact CD2-CB 3.86Å; Y363-L366 HydrophobicContact CD2-CD2 3.9Å; Y363-L366 HydrophobicContact CE2-CD2 4.14Å; Y363-L366 PolarHBondContact O-N 3.04Å; L366-G368 VanDerWaalsContact C-N 3.29Å; L366-G368 PolarHBondContact O-N 2.87Å; L366-M369 HydrophobicContact CD1-SD 4.31Å; L366-M369 WeakPolarHBondContact O-CB 3.49Å; L366-M369 PolarHBondContact O-N 3.29Å; L366-M369 VanDerWaalsContact O-N 3.13Å; L366-F370 HydrophobicContact CD1-CE2 4.38Å; L366-F370 WeakPolarHBondContact O-CD2 3.46Å
367V97.1Very high95.8Very high2 Ų245.3 Ų45.31%0.01224%0.243CC..G310 helixtrans-63.2-38.2179.5-175.30000111.3A136 L139 A140 M369 F370 D371 V377A136-V367 HydrophobicContact CB-CG2 4.15Å; L139-V367 HydrophobicContact CB-CG1 3.94Å; L139-V367 HydrophobicContact CB-CG2 4.47Å; L139-V367 HydrophobicContact CD1-CG1 4.45Å; L139-V367 HydrophobicContact CD1-CG2 3.58Å; A140-V367 HydrophobicContact CB-CG1 4.48Å; V367-M369 PolarHBondContact O-N 2.81Å; V367-M369 VanDerWaalsContact O-N 3.14Å; V367-F370 PolarHBondContact O-N 2.76Å; V367-D371 PolarHBondContact O-N 3Å; V367-D371 VanDerWaalsContact O-N 3.12Å; V367-V377 HydrophobicContact CB-CB 3.94Å; V367-V377 HydrophobicContact CB-CG2 4.4Å; V367-V377 HydrophobicContact CG1-CB 3.87Å; V367-V377 HydrophobicContact CG1-CG2 3.84Å; V367-V377 HydrophobicContact CG2-CB 4.09Å
368G96.3Very high96.1Very high13 Ų1346.2 Ų46.213%0.13425%0.249CC..G310 helixtrans-62.2-20.7177.600000113.5G365 L366 F370 G374 R375G365-G368 PolarHBondContact O-N 3.12Å; L366-G368 VanDerWaalsContact C-N 3.29Å; L366-G368 PolarHBondContact O-N 2.87Å; G368-F370 VanDerWaalsContact C-N 3.28Å; G368-F370 PolarHBondContact O-N 2.71Å; G368-G374 WeakPolarHBondContact O-CA 3.33Å; G368-R375 WeakPolarHBondContact CA-O 3.22Å
369M94.6Very high96.2Very high108 Ų10846.1 Ų46.153%0.53225%0.248SC..G310 helixtrans-75.7-15.4174.1-54.7-174.5-17900113.9K106 G365 L366 V367K106-M369 HydrophobicContact CD-SD 3.96Å; K106-M369 VanDerWaalsContact NZ-CB 3.29Å; K106-M369 PolarHBondContact NZ-SD 3.24Å; G365-M369 PolarHBondContact O-N 3.31Å; L366-M369 HydrophobicContact CD1-SD 4.31Å; L366-M369 WeakPolarHBondContact O-CB 3.49Å; L366-M369 PolarHBondContact O-N 3.29Å; L366-M369 VanDerWaalsContact O-N 3.13Å; V367-M369 PolarHBondContact O-N 2.81Å; V367-M369 VanDerWaalsContact O-N 3.14Å
370F94.7Very high96.3Very high43 Ų4344.5 Ų44.519%0.18924%0.235CC..THydrogen-bonded Turntrans-106.2-23.3178.3-68-76.8000112.6T102 K106 V133 A136 R137 A140 L366 V367 G368T102-F370 HydrophobicContact CG2-CE1 3.68Å; T102-F370 HydrophobicContact CG2-CZ 4.12Å; T102-F370 WeakPolarHBondContact O-CZ 3.1Å; K106-F370 HydrophobicContact CD-CZ 4.35Å; K106-F370 HydrophobicContact CG-CZ 4.42Å; V133-F370 HydrophobicContact CG1-CE2 4.16Å; V133-F370 HydrophobicContact CG1-CZ 3.67Å; A136-F370 HydrophobicContact CB-CD2 3.83Å; A136-F370 HydrophobicContact CB-CE2 3.88Å; R137-F370 HydrophobicContact CB-CD1 4.28Å; R137-F370 HydrophobicContact CB-CE1 4.36Å; A140-F370 HydrophobicContact CB-CB 3.5Å; L366-F370 HydrophobicContact CD1-CE2 4.38Å; L366-F370 WeakPolarHBondContact O-CD2 3.46Å; V367-F370 PolarHBondContact O-N 2.76Å; G368-F370 VanDerWaalsContact C-N 3.28Å; G368-F370 PolarHBondContact O-N 2.71Å
371D94.8Very high96.4Very high20 Ų2044.6 Ų44.611%0.10724%0.236CC..SBendtrans-72.2126.1177.4-174.1-83.6000110.6V367 K373 G374 R375V367-D371 PolarHBondContact O-N 3Å; V367-D371 VanDerWaalsContact O-N 3.12Å; D371-K373 PolarHBondContact O-N 3.12Å; D371-K373 WeakPolarHBondContact OD1-CA 3.4Å; D371-K373 WeakPolarHBondContact OD1-CB 3.42Å; D371-K373 PolarHBondContact OD1-N 3Å; D371-G374 PolarHBondContact O-N 2.67Å; D371-G374 PolarHBondContact OD1-N 3.08Å; D371-R375 HydrophobicContact CB-CB 4.36Å; D371-R375 WeakPolarHBondContact OD1-CB 3.18Å; D371-R375 PolarHBondContact OD1-N 3.41Å; D371-R375 IonicContact OD2-NE 2.78Å; D371-R375 IonicContact OD2-NH2 3.9Å
372P92.8Very high96.5Very high130 Ų13044.8 Ų44.884%0.84424%0.236SC*.THydrogen-bonded Turntrans-60-21-178.1-26.334.6000115
373K95.3Very high96.4Very high195 Ų19544.1 Ų44.185%0.84824%0.237SC*.THydrogen-bonded Turntrans-102.25.4177.5-61.3-176178.1-176.50112.3D371 R375D371-K373 PolarHBondContact O-N 3.12Å; D371-K373 WeakPolarHBondContact OD1-CA 3.4Å; D371-K373 WeakPolarHBondContact OD1-CB 3.42Å; D371-K373 PolarHBondContact OD1-N 3Å; K373-R375 PolarHBondContact O-N 3.46Å
374G94.5Very high96.5Very high42 Ų4244 Ų4443%0.43324%0.236SC..  trans65.622.4-176.300000113.5G368 D371 K376G368-G374 WeakPolarHBondContact O-CA 3.33Å; D371-G374 PolarHBondContact O-N 2.67Å; D371-G374 PolarHBondContact OD1-N 3.08Å; G374-K376 PolarHBondContact O-N 3.33Å
375R95.6Very high96.3Very high100 Ų10043.5 Ų43.538%0.37724%0.242SC..  trans-63.9119.1179.8-177.4177.160.6161.67.5109.6K143 T145 G368 D371 K373K143-R375 PolarHBondContact O-NH2 2.74Å; T145-R375 VanDerWaalsContact CG2-CZ 3.5Å; G368-R375 WeakPolarHBondContact CA-O 3.22Å; D371-R375 HydrophobicContact CB-CB 4.36Å; D371-R375 WeakPolarHBondContact OD1-CB 3.18Å; D371-R375 PolarHBondContact OD1-N 3.41Å; D371-R375 IonicContact OD2-NE 2.78Å; D371-R375 IonicContact OD2-NH2 3.9Å; K373-R375 PolarHBondContact O-N 3.46Å
376K96.6Very high96.1Very high152 Ų15242.4 Ų42.466%0.66123%0.23SC*.  trans-74138.5175.4-63.8-173179-175.60110.6G374G374-K376 PolarHBondContact O-N 3.33Å
377V98.3Very high95.9Very high3 Ų342.8 Ų42.82%0.01823%0.232CC..  trans-126.8108.1168.4179.50000105.3A179 V367A179-V377 HydrophobicContact CB-CG1 4.15Å; V367-V377 HydrophobicContact CB-CB 3.94Å; V367-V377 HydrophobicContact CB-CG2 4.4Å; V367-V377 HydrophobicContact CG1-CB 3.87Å; V367-V377 HydrophobicContact CG1-CG2 3.84Å; V367-V377 HydrophobicContact CG2-CB 4.09Å
378P98.5Very high95.5Very high20 Ų2046.8 Ų46.813%0.1325%0.247CC..  trans-59.7140.6177.5-24.735.5000110.8A179 G180 N181 D364A179-P378 CarbonylContact C-O 3.53Å; A179-P378 WeakPolarHBondContact CA-O 3.46Å; G180-P378 PolarHBondContact N-O 2.93Å; N181-P378 WeakPolarHBondContact OD1-CD 3.46Å; N181-P378 WeakPolarHBondContact OD1-CG 3.41Å; D364-P378 HydrophobicContact CB-CB 4.23Å; D364-P378 WeakPolarHBondContact OD1-CA 3.33Å; D364-P378 WeakPolarHBondContact OD1-CB 3.34Å
379C98.7Very high95.2Very high0 Ų046.2 Ų46.20%024%0.241CC..EExtended strand (participates in β ladder)trans-141139.1-178-68.40000109.9I178 A179 R362 Y363 D364I178-C379 WeakPolarHBondContact O-CA 3.46Å; A179-C379 VanDerWaalsContact CB-SG 3.52Å; R362-C379 CarbonylContact C-O 3.54Å; R362-C379 WeakPolarHBondContact CA-O 2.97Å; Y363-C379 HydrophobicContact CD1-CB 4.36Å; Y363-C379 HydrophobicContact CD2-CB 3.71Å; Y363-C379 HydrophobicContact CE1-CB 4.01Å; Y363-C379 HydrophobicContact CE2-CB 3.26Å; Y363-C379 HydrophobicContact CG-CB 4.21Å; Y363-C379 VanDerWaalsContact CZ-CB 3.43Å; Y363-C379 PolarHBondContact N-O 2.86Å; D364-C379 PolarHBondContact OD1-N 3.48Å
380V98.8Very high95.1Very high0 Ų041.3 Ų41.30%022%0.217CC..EExtended strand (participates in β ladder)trans-134.5141.8167.460.80000108.9D177 I178 P187 D188 R362D177-V380 WeakPolarHBondContact CA-O 3.13Å; I178-V380 HydrophobicContact CB-CG1 4.24Å; I178-V380 PolarHBondContact N-O 3.02Å; I178-V380 PolarHBondContact O-N 3.12Å; P187-V380 HydrophobicContact CB-CG1 3.76Å; P187-V380 HydrophobicContact CG-CG1 4.1Å; D188-V380 HydrophobicContact CB-CG2 4.31Å; R362-V380 HydrophobicContact CB-CB 4.32Å; R362-V380 HydrophobicContact CB-CG2 4.32Å
381G98.3Very high94.7Very high4 Ų440.9 Ų40.94%0.04122%0.219CC..EExtended strand (participates in β ladder)trans-168.3171.6-179.600000114.3F176 D177 Y336 G360 G361F176-G381 CarbonylContact O-C 3.56Å; F176-G381 WeakPolarHBondContact O-CA 3.2Å; D177-G381 WeakPolarHBondContact OD1-CA 3.29Å; Y336-G381 VanDerWaalsContact OH-C 3.26Å; Y336-G381 PolarHBondContact OH-O 3.49Å; G360-G381 CarbonylContact C-O 3.59Å; G360-G381 WeakPolarHBondContact CA-O 2.98Å; G361-G381 PolarHBondContact N-O 2.99Å; G361-G381 PolarHBondContact O-N 2.75Å; G361-G381 VanDerWaalsContact O-N 3.11Å
382L98.3Very high94.4Very high3 Ų341.8 Ų41.82%0.01622%0.223CC..EExtended strand (participates in β ladder)trans-131.9154.9-175.166.791.7000110.7F84 D175 F176 C191 I194 M195 Y336 A359 I384F84-L382 HydrophobicContact CE1-CD1 4.31Å; F84-L382 HydrophobicContact CZ-CD1 4.49Å; D175-L382 CarbonylContact C-O 3.6Å; D175-L382 VanDerWaalsContact CA-O 3.25Å; D175-L382 WeakPolarHBondContact CA-O 3.41Å; F176-L382 HydrophobicContact CB-CD1 4.18Å; F176-L382 HydrophobicContact CB-CG 4.08Å; F176-L382 PolarHBondContact N-O 3.02Å; F176-L382 PolarHBondContact O-N 3.28Å; C191-L382 HydrophobicContact CB-CD2 3.98Å; C191-L382 WeakPolarHBondContact O-CD2 3.45Å; I194-L382 HydrophobicContact CB-CD2 3.98Å; I194-L382 HydrophobicContact CG2-CD2 3.84Å; M195-L382 HydrophobicContact CE-CB 3.82Å; Y336-L382 HydrophobicContact CE2-CB 3.92Å; A359-L382 CarbonylContact O-C 3.55Å; A359-L382 WeakPolarHBondContact O-CA 3.19Å; L382-I384 HydrophobicContact CD1-CD1 3.77Å; L382-I384 HydrophobicContact CD1-CG1 3.95Å
383S97.8Very high94.2Very high21 Ų2136 Ų3615%0.14719%0.185CC..EExtended strand (participates in β ladder)trans-129.6123.9173.4-168.80000109.3Q173 C174 D175 A358 A359Q173-S383 PolarHBondContact NE2-OG 3.03Å; Q173-S383 VanDerWaalsContact NE2-OG 3.12Å; C174-S383 WeakPolarHBondContact O-CA 3.44Å; D175-S383 WeakPolarHBondContact OD1-CB 3.42Å; D175-S383 PolarHBondContact OD1-OG 3.07Å; A358-S383 VanDerWaalsContact CA-O 3.26Å; A358-S383 WeakPolarHBondContact CA-O 3.48Å; A359-S383 PolarHBondContact N-O 3.2Å; A359-S383 PolarHBondContact O-N 3.3Å
384I97.7Very high93.8Very high0 Ų028.3 Ų28.30%015%0.153CC..EExtended strand (participates in β ladder)trans-87.6122.9173.9-52.7-59.9000109.5I80 C174 I198 A358 L382 V386 I389I80-I384 HydrophobicContact CD1-CG2 4.21Å; C174-I384 HydrophobicContact CB-CB 3.98Å; C174-I384 PolarHBondContact O-N 3.14Å; I198-I384 HydrophobicContact CD1-CD1 4.32Å; I198-I384 HydrophobicContact CD1-CG1 4.16Å; I198-I384 HydrophobicContact CG2-CD1 4.37Å; I198-I384 HydrophobicContact CG2-CG1 4.41Å; A358-I384 HydrophobicContact CB-CD1 3.62Å; L382-I384 HydrophobicContact CD1-CD1 3.77Å; L382-I384 HydrophobicContact CD1-CG1 3.95Å; I384-V386 VanDerWaalsContact C-N 3.27Å; I384-V386 HydrophobicContact CB-CG1 4.31Å; I384-V386 HydrophobicContact CG2-CG1 3.87Å; I384-V386 PolarHBondContact O-N 3.07Å; I384-I389 HydrophobicContact CG2-CD1 3.4Å; I384-I389 VanDerWaalsContact CG2-CD1 3.4Å
385G92.3Very high93.4Very high33 Ų3332.3 Ų32.334%0.3416%0.16SC..  trans-76.169.5176.700000112.5V357 E387 R388V357-G385 WeakPolarHBondContact O-CA 3.44Å; V357-G385 PolarHBondContact O-N 3.4Å; G385-E387 VanDerWaalsContact C-N 3.29Å; G385-E387 PolarHBondContact O-N 3.33Å; G385-R388 PolarHBondContact O-N 2.88Å
386V92.5Very high93Very high0 Ų031.3 Ų31.30%016%0.156CC..Hα-helixtrans-64.3-24.3-169.8-68.70000115.3F77 I80 Y172 C174 I384 R388 I389 F390F77-V386 HydrophobicContact CE1-CB 4.47Å; F77-V386 HydrophobicContact CE1-CG1 4.32Å; F77-V386 HydrophobicContact CE1-CG2 4.15Å; I80-V386 HydrophobicContact CD1-CG1 3.46Å; I80-V386 VanDerWaalsContact CD1-CG1 3.46Å; Y172-V386 VanDerWaalsContact CB-CG2 3.48Å; C174-V386 HydrophobicContact CB-CG1 4.05Å; C174-V386 WeakPolarHBondContact SG-CG1 3.43Å; I384-V386 VanDerWaalsContact C-N 3.27Å; I384-V386 HydrophobicContact CB-CG1 4.31Å; I384-V386 HydrophobicContact CG2-CG1 3.87Å; I384-V386 PolarHBondContact O-N 3.07Å; V386-R388 VanDerWaalsContact C-N 3.31Å; V386-R388 PolarHBondContact O-N 2.91Å; V386-I389 PolarHBondContact O-N 3.37Å; V386-I389 VanDerWaalsContact O-N 3.17Å; V386-F390 HydrophobicContact CB-CE1 4.04Å; V386-F390 HydrophobicContact CB-CE2 3.88Å; V386-F390 HydrophobicContact CB-CZ 3.58Å; V386-F390 HydrophobicContact CG1-CZ 4.5Å; V386-F390 HydrophobicContact CG2-CE2 3.74Å; V386-F390 HydrophobicContact CG2-CZ 3.7Å; V386-F390 WeakPolarHBondContact O-CD2 3.32Å; V386-F390 WeakPolarHBondContact O-CG 3.48Å; V386-F390 PolarHBondContact O-N 3.17Å
387E90.8Very high92.4Very high9 Ų924.6 Ų24.64%0.04213%0.128CC..Hα-helixtrans-61.4-39179.3-68.8-59.1153.200112.9R63 R73 Y168 F171 Y172 G385 S391R63-E387 IonicContact CZ-OE2 3.18Å; R63-E387 IonicContact NH2-OE2 2.71Å; R63-E387 PolarHBondContact NH2-OE2 2.8Å; R73-E387 VanDerWaalsContact NH2-CD 3.27Å; R73-E387 IonicContact NH2-OE1 2.67Å; R73-E387 PolarHBondContact NH2-OE1 2.79Å; R73-E387 IonicContact NH2-OE2 3.72Å; R73-E387 PolarHBondContact NH2-OE2 3.35Å; Y168-E387 HydrophobicContact CD2-CB 4.36Å; Y168-E387 HydrophobicContact CD2-CG 4.14Å; Y168-E387 HydrophobicContact CE2-CB 4.26Å; Y168-E387 HydrophobicContact CE2-CG 4.41Å; F171-E387 HydrophobicContact CB-CG 3.48Å; F171-E387 VanDerWaalsContact CB-CG 3.48Å; F171-E387 HydrophobicContact CG-CG 4.49Å; Y172-E387 PolarHBondContact N-OE1 3.49Å; G385-E387 VanDerWaalsContact C-N 3.29Å; G385-E387 PolarHBondContact O-N 3.33Å; E387-S391 PolarHBondContact O-N 3.28Å
388R88Confident91.9Very high87 Ų8729 Ų2933%0.32815%0.148SC..Hα-helixtrans-70.2-40.4175.6-179.5168.3-67.7141.39.2111G355 S356 V357 G385 V386 F390 S391 I392G355-R388 PolarHBondContact O-NH1 3Å; S356-R388 PolarHBondContact O-NH1 3.06Å; V357-R388 HydrophobicContact CG1-CG 4.16Å; G385-R388 PolarHBondContact O-N 2.88Å; V386-R388 VanDerWaalsContact C-N 3.31Å; V386-R388 PolarHBondContact O-N 2.91Å; R388-F390 VanDerWaalsContact C-N 3.32Å; R388-F390 PolarHBondContact O-N 2.92Å; R388-S391 PolarHBondContact O-N 3.48Å; R388-I392 HydrophobicContact CG-CD1 3.88Å; R388-I392 HydrophobicContact CG-CG1 4.48Å; R388-I392 WeakPolarHBondContact O-CG1 3.22Å; R388-I392 PolarHBondContact O-N 3.36Å
389I91.2Very high91.4Very high0 Ų032.1 Ų32.10%018%0.175CC..Hα-helixtrans-60.8-42.5177.8-63.9172.3000110.5V76 L199 L202 I204 I384 V386 S391 I392 V393V76-I389 HydrophobicContact CG1-CG2 3.77Å; V76-I389 HydrophobicContact CG2-CG2 4.18Å; L199-I389 HydrophobicContact CD2-CD1 4.49Å; L202-I389 HydrophobicContact CD1-CD1 3.89Å; L202-I389 HydrophobicContact CD1-CG2 3.81Å; L202-I389 HydrophobicContact CD2-CG2 4.31Å; I204-I389 HydrophobicContact CD1-CD1 4.42Å; I204-I389 HydrophobicContact CD1-CG1 4.03Å; I204-I389 HydrophobicContact CG2-CG2 4.47Å; I384-I389 HydrophobicContact CG2-CD1 3.4Å; I384-I389 VanDerWaalsContact CG2-CD1 3.4Å; V386-I389 PolarHBondContact O-N 3.37Å; V386-I389 VanDerWaalsContact O-N 3.17Å; I389-S391 VanDerWaalsContact C-N 3.33Å; I389-S391 PolarHBondContact O-N 3Å; I389-I392 PolarHBondContact O-N 2.86Å; I389-V393 HydrophobicContact CG2-CG2 4.23Å; I389-V393 WeakPolarHBondContact O-CG2 3.46Å; I389-V393 PolarHBondContact O-N 3.4Å
390F91Very high90.8Very high6 Ų636.9 Ų36.93%0.02620%0.2CC..Hα-helixtrans-58-45.8176.2-59.7-35.9000111.8R73 V76 F77 V386 R388 I392 V393 E394R73-F390 HydrophobicContact CB-CD1 4.41Å; R73-F390 HydrophobicContact CB-CE1 4.03Å; R73-F390 HydrophobicContact CB-CZ 4.23Å; R73-F390 HydrophobicContact CG-CD1 3.76Å; R73-F390 HydrophobicContact CG-CD2 3.92Å; R73-F390 HydrophobicContact CG-CE1 3.69Å; R73-F390 HydrophobicContact CG-CE2 3.85Å; R73-F390 HydrophobicContact CG-CG 3.89Å; R73-F390 HydrophobicContact CG-CZ 3.73Å; V76-F390 HydrophobicContact CB-CD1 3.97Å; V76-F390 HydrophobicContact CB-CE1 3.74Å; V76-F390 HydrophobicContact CG1-CD1 3.97Å; V76-F390 HydrophobicContact CG1-CE1 3.59Å; V76-F390 HydrophobicContact CG2-CD1 4.07Å; V76-F390 HydrophobicContact CG2-CE1 4.35Å; F77-F390 HydrophobicContact CD1-CZ 4.41Å; F77-F390 HydrophobicContact CE1-CE1 4.38Å; F77-F390 AromaticContact CE1-CZ 3.72Å; F77-F390 HydrophobicContact CE1-CZ 3.72Å; F77-F390 HydrophobicContact CE2-CZ 4.18Å; F77-F390 HydrophobicContact CZ-CE1 4.48Å; F77-F390 HydrophobicContact CZ-CE2 4.43Å; F77-F390 AromaticContact CZ-CZ 3.61Å; F77-F390 HydrophobicContact CZ-CZ 3.61Å; V386-F390 HydrophobicContact CB-CE1 4.04Å; V386-F390 HydrophobicContact CB-CE2 3.88Å; V386-F390 HydrophobicContact CB-CZ 3.58Å; V386-F390 HydrophobicContact CG1-CZ 4.5Å; V386-F390 HydrophobicContact CG2-CE2 3.74Å; V386-F390 HydrophobicContact CG2-CZ 3.7Å; V386-F390 WeakPolarHBondContact O-CD2 3.32Å; V386-F390 WeakPolarHBondContact O-CG 3.48Å; V386-F390 PolarHBondContact O-N 3.17Å; R388-F390 VanDerWaalsContact C-N 3.32Å; R388-F390 PolarHBondContact O-N 2.92Å; F390-I392 PolarHBondContact O-N 3.05Å; F390-V393 PolarHBondContact O-N 3.35Å; F390-E394 VanDerWaalsContact O-CB 3.25Å; F390-E394 WeakPolarHBondContact O-CB 3.16Å; F390-E394 PolarHBondContact O-N 3.26Å
391S87.8Confident90.2Very high34 Ų3445.7 Ų45.724%0.23824%0.241CC..Hα-helixtrans-63-41.5178.2-670000112.5E387 R388 I389 E394 Q395E387-S391 PolarHBondContact O-N 3.28Å; R388-S391 PolarHBondContact O-N 3.48Å; I389-S391 VanDerWaalsContact C-N 3.33Å; I389-S391 PolarHBondContact O-N 3Å; S391-E394 PolarHBondContact O-N 3.27Å; S391-Q395 WeakPolarHBondContact O-CB 3.09Å; S391-Q395 VanDerWaalsContact O-CG 3.25Å; S391-Q395 WeakPolarHBondContact O-CG 3.48Å; S391-Q395 PolarHBondContact O-N 3.43Å
392I87.9Confident89.3Confident38 Ų3850.9 Ų50.920%0.19526%0.264CS..Hα-helixtrans-65.7-44.9178.5-66.2165.9000110.9I204 L340 R388 I389 F390 Q395 R396I204-I392 HydrophobicContact CB-CG2 4.01Å; I204-I392 HydrophobicContact CG2-CG2 3.94Å; L340-I392 HydrophobicContact CD1-CD1 3.27Å; R388-I392 HydrophobicContact CG-CD1 3.88Å; R388-I392 HydrophobicContact CG-CG1 4.48Å; R388-I392 WeakPolarHBondContact O-CG1 3.22Å; R388-I392 PolarHBondContact O-N 3.36Å; I389-I392 PolarHBondContact O-N 2.86Å; F390-I392 PolarHBondContact O-N 3.05Å; I392-Q395 PolarHBondContact O-N 3.39Å; I392-R396 WeakPolarHBondContact O-CB 3.5Å; I392-R396 PolarHBondContact O-N 2.97Å
393V88.3Confident88.7Confident8 Ų856.6 Ų56.65%0.04829%0.289CS..Hα-helixtrans-66.7-39.9179.1176.10000111V72 V76 I204 I389 F390 R396 L397V72-V393 HydrophobicContact CG1-CB 4.06Å; V72-V393 HydrophobicContact CG1-CG1 3.82Å; V76-V393 HydrophobicContact CG2-CB 4.37Å; V76-V393 HydrophobicContact CG2-CG1 4.42Å; V76-V393 HydrophobicContact CG2-CG2 4Å; I204-V393 HydrophobicContact CG2-CG2 3.85Å; I389-V393 HydrophobicContact CG2-CG2 4.23Å; I389-V393 WeakPolarHBondContact O-CG2 3.46Å; I389-V393 PolarHBondContact O-N 3.4Å; F390-V393 PolarHBondContact O-N 3.35Å; V393-R396 PolarHBondContact O-N 3.44Å; V393-L397 HydrophobicContact CG1-CD1 3.93Å; V393-L397 HydrophobicContact CG1-CG 4.45Å; V393-L397 VanDerWaalsContact O-CG 3.24Å; V393-L397 WeakPolarHBondContact O-CG 3.43Å; V393-L397 PolarHBondContact O-N 2.78Å
394E87.4Confident88.4Confident35 Ų3556.3 Ų56.316%0.16429%0.287CS..Hα-helixtrans-61.8-47.2175.6-173.4167.4-144.800111.4Q69 F390 S391 R396 L397 E398Q69-E394 WeakPolarHBondContact CG-OE1 3.48Å; F390-E394 VanDerWaalsContact O-CB 3.25Å; F390-E394 WeakPolarHBondContact O-CB 3.16Å; F390-E394 PolarHBondContact O-N 3.26Å; S391-E394 PolarHBondContact O-N 3.27Å; E394-R396 PolarHBondContact O-N 3.21Å; E394-L397 PolarHBondContact O-N 3.21Å; E394-E398 WeakPolarHBondContact O-CG 3.22Å; E394-E398 PolarHBondContact O-N 3.16Å
395Q86.6Confident88.2Confident125 Ų12560.3 Ų60.358%0.58430%0.301SS*.Hα-helixtrans-62.3-40.4176.1-74.1171.9-400112.7S391 I392 E398 A399S391-Q395 WeakPolarHBondContact O-CB 3.09Å; S391-Q395 VanDerWaalsContact O-CG 3.25Å; S391-Q395 WeakPolarHBondContact O-CG 3.48Å; S391-Q395 PolarHBondContact O-N 3.43Å; I392-Q395 PolarHBondContact O-N 3.39Å; Q395-E398 WeakPolarHBondContact O-CB 3.27Å; Q395-E398 PolarHBondContact O-N 3.49Å; Q395-A399 WeakPolarHBondContact O-CB 3.35Å; Q395-A399 PolarHBondContact O-N 3.16Å
396R86Confident88.3Confident79 Ų7962.1 Ų62.130%0.29831%0.306SS..Hα-helixtrans-63-44176.4-172.6-176.371.5-157.90111.6L202 Q203 I392 V393 E394 E398 A399 L400L202-R396 PolarHBondContact O-NH1 3.35Å; Q203-R396 VanDerWaalsContact C-NH1 3.27Å; Q203-R396 PolarHBondContact O-NH1 2.94Å; I392-R396 WeakPolarHBondContact O-CB 3.5Å; I392-R396 PolarHBondContact O-N 2.97Å; V393-R396 PolarHBondContact O-N 3.44Å; E394-R396 PolarHBondContact O-N 3.21Å; R396-E398 VanDerWaalsContact C-N 3.3Å; R396-E398 PolarHBondContact O-N 3.35Å; R396-A399 PolarHBondContact O-N 2.93Å; R396-L400 HydrophobicContact CG-CD1 4.41Å; R396-L400 WeakPolarHBondContact O-CG 3.4Å; R396-L400 PolarHBondContact O-N 3.4Å; R396-L400 VanDerWaalsContact O-N 3.14Å
397L84.4Confident88.4Confident12 Ų1264.5 Ų64.56%0.06332%0.321CS..Hα-helixtrans-65.9-34.8177.9-69.4167.6000111.7V72 V393 E394 E402 V404V72-L397 HydrophobicContact CG2-CD1 3.91Å; V393-L397 HydrophobicContact CG1-CD1 3.93Å; V393-L397 HydrophobicContact CG1-CG 4.45Å; V393-L397 VanDerWaalsContact O-CG 3.24Å; V393-L397 WeakPolarHBondContact O-CG 3.43Å; V393-L397 PolarHBondContact O-N 2.78Å; E394-L397 PolarHBondContact O-N 3.21Å; L397-E402 PolarHBondContact O-N 3.38Å; L397-V404 HydrophobicContact CB-CG2 4.04Å; L397-V404 HydrophobicContact CD1-CG2 3.79Å; L397-V404 HydrophobicContact CG-CG2 4.35Å
398E86.8Confident88.7Confident96 Ų9669.6 Ų69.645%0.44934%0.344SS..Hα-helixtrans-65.1-44.4172.4-77.7172.6-17500112.5R68 E394 Q395 R396 L400 E401R68-E398 IonicContact CZ-OE1 3.49Å; R68-E398 IonicContact NE-OE1 3.37Å; R68-E398 IonicContact NH2-OE1 2.84Å; R68-E398 PolarHBondContact NH2-OE1 3.48Å; E394-E398 WeakPolarHBondContact O-CG 3.22Å; E394-E398 PolarHBondContact O-N 3.16Å; Q395-E398 WeakPolarHBondContact O-CB 3.27Å; Q395-E398 PolarHBondContact O-N 3.49Å; R396-E398 VanDerWaalsContact C-N 3.3Å; R396-E398 PolarHBondContact O-N 3.35Å; E398-L400 VanDerWaalsContact C-N 3.28Å; E398-L400 PolarHBondContact O-N 3.24Å; E398-E401 PolarHBondContact O-N 2.93Å; E398-E401 VanDerWaalsContact O-N 3.11Å
399A88.3Confident89.2Confident84 Ų8466 Ų6669%0.69433%0.332SS*.Hα-helixtrans-65.7-28.7179.500000113.5Q395 R396 E401Q395-A399 WeakPolarHBondContact O-CB 3.35Å; Q395-A399 PolarHBondContact O-N 3.16Å; R396-A399 PolarHBondContact O-N 2.93Å; A399-E401 VanDerWaalsContact C-N 3.27Å
400L86.6Confident89.5Confident100 Ų10066.5 Ų66.552%0.52434%0.335SS..THydrogen-bonded Turntrans-82.2-2.5175.8-67.2172.3000113.4R396 E398 E402R396-L400 HydrophobicContact CG-CD1 4.41Å; R396-L400 WeakPolarHBondContact O-CG 3.4Å; R396-L400 PolarHBondContact O-N 3.4Å; R396-L400 VanDerWaalsContact O-N 3.14Å; E398-L400 VanDerWaalsContact C-N 3.28Å; E398-L400 PolarHBondContact O-N 3.24Å; L400-E402 HydrophobicContact CB-CB 4.3Å; L400-E402 HydrophobicContact CB-CG 3.91Å; L400-E402 PolarHBondContact O-N 3.04Å
401E85.5Confident89.9Confident186 Ų18666.2 Ų66.287%0.86933%0.333SS*.THydrogen-bonded Turntrans51.823.5-170.1-59.3-173.5176.700113.1E398 A399 K403E398-E401 PolarHBondContact O-N 2.93Å; E398-E401 VanDerWaalsContact O-N 3.11Å; A399-E401 VanDerWaalsContact C-N 3.27Å; E401-K403 PolarHBondContact O-N 3.3Å
402E80.6Confident90.4Very high113 Ų11364.6 Ų64.653%0.52832%0.322SS..  trans-77.3122.2-179.3-82.3-173.4-173.100110.1L397 L400 V404L397-E402 PolarHBondContact O-N 3.38Å; L400-E402 HydrophobicContact CB-CB 4.3Å; L400-E402 HydrophobicContact CB-CG 3.91Å; L400-E402 PolarHBondContact O-N 3.04Å; E402-V404 PolarHBondContact O-N 2.67Å
403K85.8Confident90.9Very high122 Ų12262.8 Ų62.853%0.5331%0.313SS..  trans-70.6107.2176.9-170.9172.2-174.5164.40110.8E401 R405 E456 E457E401-K403 PolarHBondContact O-N 3.3Å; K403-R405 PolarHBondContact O-N 3.19Å; K403-R405 VanDerWaalsContact O-N 3.15Å; K403-E456 PolarHBondContact NZ-O 3.43Å; K403-E457 WeakPolarHBondContact CE-O 3.46Å; K403-E457 PolarHBondContact NZ-O 3.49Å
404V90.3Very high91.4Very high16 Ų1662.4 Ų62.410%0.09731%0.311CS..  trans-70.7108.5171.7-173.50000109.4A71 L397 E402A71-V404 HydrophobicContact CB-CG1 3.83Å; L397-V404 HydrophobicContact CB-CG2 4.04Å; L397-V404 HydrophobicContact CD1-CG2 3.79Å; L397-V404 HydrophobicContact CG-CG2 4.35Å; E402-V404 PolarHBondContact O-N 2.67Å
405R93.4Very high91.9Very high83 Ų8360.8 Ų60.831%0.31330%0.303SS..  trans-65.1135.6171.1-66-169.663.1-167.1-2.7110.3K403 T407 T409 G459K403-R405 PolarHBondContact O-N 3.19Å; K403-R405 VanDerWaalsContact O-N 3.15Å; R405-T407 PolarHBondContact NE-O 3.13Å; R405-T407 PolarHBondContact NH2-O 3.34Å; R405-T409 PolarHBondContact NH2-O 2.94Å; R405-G459 WeakPolarHBondContact CD-O 3.47Å; R405-G459 PolarHBondContact NE-O 3.08Å; R405-G459 PolarHBondContact NH1-O 3.31Å
406T95.7Very high92.5Very high72 Ų7257.8 Ų57.844%0.44230%0.299SS..SBendtrans-104.80.8177.460.30000112.9P67 R68P67-T406 HydrophobicContact CB-CG2 3.97Å; R68-T406 HydrophobicContact CB-CG2 4.24Å
407T95.1Very high93Very high49 Ų4957.8 Ų57.830%0.30130%0.303SS..  trans-138.9158.5175.469.70000109.3R405R405-T407 PolarHBondContact NE-O 3.13Å; R405-T407 PolarHBondContact NH2-O 3.34Å
408E96.2Very high93.6Very high116 Ų11664.4 Ų64.454%0.54233%0.331SS..  trans-103.513.9-179.9-61.7-168148.300113.3Q410 K437E408-Q410 PolarHBondContact O-N 2.97Å; E408-K437 HydrophobicContact CB-CD 3.65Å; E408-K437 WeakPolarHBondContact O-CD 3.27Å; E408-K437 WeakPolarHBondContact OE2-CE 3.39Å; E408-K437 IonicContact OE2-NZ 3.79Å; E408-K437 PolarHBondContact OE2-NZ 3.48Å
409T98.1Very high94.1Very high11 Ų1168.6 Ų68.67%0.06735%0.348CS..  trans-57.6122.5-175.4-54.70000111.4R405 K437 E439 I460 P461R405-T409 PolarHBondContact NH2-O 2.94Å; T409-K437 CarbonylContact C-O 3.41Å; T409-K437 WeakPolarHBondContact CA-O 3.27Å; T409-E439 WeakPolarHBondContact CB-OE1 3.21Å; T409-E439 HydrophobicContact CG2-CB 3.93Å; T409-E439 HydrophobicContact CG2-CG 3.65Å; T409-E439 PolarHBondContact OG1-OE1 3.44Å; T409-I460 HydrophobicContact CG2-CD1 3.76Å; T409-I460 HydrophobicContact CG2-CG1 4.02Å; T409-I460 HydrophobicContact CG2-CG2 4.24Å; T409-P461 WeakPolarHBondContact O-CD 3.2Å
410Q98.3Very high94.6Very high12 Ų1265 Ų656%0.05632%0.317CS..  trans-85.5-36.1-177.3-71.4166.9-76.800111.3E408 I436 K437 P461 L462 I498 T502E408-Q410 PolarHBondContact O-N 2.97Å; Q410-I436 HydrophobicContact CB-CG2 4.35Å; Q410-K437 HydrophobicContact CG-CB 4.29Å; Q410-K437 PolarHBondContact N-O 2.98Å; Q410-P461 WeakPolarHBondContact O-CD 3.43Å; Q410-P461 WeakPolarHBondContact O-CG 3.44Å; Q410-L462 WeakPolarHBondContact O-CB 3.43Å; Q410-L462 PolarHBondContact O-N 3.09Å; Q410-I498 HydrophobicContact CB-CG2 4.17Å; Q410-T502 HydrophobicContact CB-CG2 4.09Å; Q410-T502 HydrophobicContact CG-CG2 4.18Å; Q410-T502 PolarHBondContact NE2-OG1 2.71Å
411V98.7Very high95.1Very high0 Ų062 Ų620%030%0.301CS..EExtended strand (participates in β ladder)trans-147.6140.1-174.4650000112.3L431 I436 K437 A438 E439 L462 A464 L478 I498V411-L431 HydrophobicContact CG1-CD1 3.93Å; V411-I436 HydrophobicContact CG1-CG2 3.87Å; V411-K437 PolarHBondContact N-O 3.03Å; V411-A438 HydrophobicContact CG1-CB 3.78Å; V411-A438 VanDerWaalsContact O-CA 3.28Å; V411-A438 WeakPolarHBondContact O-CA 3.46Å; V411-E439 PolarHBondContact O-N 3.19Å; V411-L462 CarbonylContact C-O 3.53Å; V411-L462 VanDerWaalsContact CA-O 3.3Å; V411-L462 WeakPolarHBondContact CA-O 3.44Å; V411-L462 HydrophobicContact CB-CB 4.13Å; V411-L462 HydrophobicContact CG2-CB 3.97Å; V411-A464 HydrophobicContact CG2-CB 3.75Å; V411-L478 HydrophobicContact CG2-CD1 4.36Å; V411-I498 HydrophobicContact CB-CD1 4.36Å; V411-I498 HydrophobicContact CG1-CD1 3.96Å; V411-I498 HydrophobicContact CG2-CD1 4.41Å
412L98.9Very high95.7Very high0 Ų059.3 Ų59.30%029%0.288CS..EExtended strand (participates in β ladder)trans-98.2126.5166.6-173.180.9000109.9E439 Q451 Y454 C455 I460 L462 V463 A464L412-E439 CarbonylContact C-O 3.4Å; L412-E439 WeakPolarHBondContact CA-O 3.4Å; L412-E439 HydrophobicContact CD1-CB 3.91Å; L412-Q451 HydrophobicContact CD2-CB 3.82Å; L412-Q451 HydrophobicContact CD2-CG 4.31Å; L412-Q451 WeakPolarHBondContact CD2-O 3.26Å; L412-Y454 HydrophobicContact CD1-CD1 4.09Å; L412-Y454 HydrophobicContact CD1-CE1 4.11Å; L412-Y454 HydrophobicContact CD2-CD1 4.33Å; L412-C455 VanDerWaalsContact CB-SG 3.5Å; L412-C455 WeakPolarHBondContact CD2-SG 3.43Å; L412-I460 HydrophobicContact CB-CG2 4.48Å; L412-L462 PolarHBondContact N-O 2.7Å; L412-V463 HydrophobicContact CB-CG2 4.41Å; L412-V463 CarbonylContact O-C 3.59Å; L412-V463 VanDerWaalsContact O-CA 3.29Å; L412-V463 WeakPolarHBondContact O-CA 3.3Å; L412-V463 WeakPolarHBondContact O-CG1 3.41Å; L412-A464 PolarHBondContact O-N 2.9Å
413V98.8Very high96.6Very high0 Ų056.8 Ų56.80%028%0.277CS..EExtended strand (participates in β ladder)trans-80.4120169.8178.90000109.2R424 L427 V428 L431 E439 L440 I466V413-R424 HydrophobicContact CG1-CB 3.79Å; V413-R424 HydrophobicContact CG1-CG 3.84Å; V413-L427 HydrophobicContact CG1-CB 4.28Å; V413-L427 HydrophobicContact CG1-CD2 4.03Å; V413-L427 HydrophobicContact CG1-CG 4.45Å; V413-L427 HydrophobicContact CG2-CD2 4.31Å; V413-L427 HydrophobicContact CG2-CG 4.33Å; V413-V428 HydrophobicContact CB-CB 4.37Å; V413-V428 HydrophobicContact CG2-CB 3.93Å; V413-V428 HydrophobicContact CG2-CG2 4.13Å; V413-L431 HydrophobicContact CG2-CD1 3.71Å; V413-E439 PolarHBondContact N-O 3.05Å; V413-L440 HydrophobicContact CB-CB 4.37Å; V413-I466 HydrophobicContact CG1-CD1 3.97Å; V413-I466 HydrophobicContact CG1-CG1 4.45Å
414A98.7Very high97.2Very high0 Ų051 Ų510%025%0.252CS..EExtended strand (participates in β ladder)trans-131.7163-171.400000112.7L448 Q451 V463 A464 I465 I466A414-L448 HydrophobicContact CB-CD1 4.34Å; A414-Q451 HydrophobicContact CB-CB 4.32Å; A414-Q451 HydrophobicContact CB-CG 4.46Å; A414-V463 HydrophobicContact CB-CG1 3.41Å; A414-V463 VanDerWaalsContact CB-CG1 3.41Å; A414-A464 PolarHBondContact N-O 2.94Å; A414-I465 HydrophobicContact CB-CG1 4.49Å; A414-I465 CarbonylContact O-C 3.54Å; A414-I465 WeakPolarHBondContact O-CA 3.35Å; A414-I466 PolarHBondContact O-N 3.36Å
415S98.3Very high97.6Very high0 Ų054.4 Ų54.40%027%0.269CS..EExtended strand (participates in β ladder)trans-149.7150.5163.3750000110.6Q417 R424 Q451 I466S415-Q417 PolarHBondContact OG-O 3.45Å; S415-R424 PolarHBondContact OG-NH1 2.81Å; S415-Q451 PolarHBondContact O-NE2 2.65Å; S415-I466 WeakPolarHBondContact CA-O 3.48Å; S415-I466 WeakPolarHBondContact CB-O 3.48Å
416A97.2Very high97.9Very high62 Ų6255.7 Ų55.751%0.51228%0.277SS..SBendtrans-89.7-31.8173.100000112.4L448A416-L448 HydrophobicContact CB-CB 4.06Å; A416-L448 HydrophobicContact CB-CD2 4.21Å
417Q97.1Very high98Very high80 Ų8052.4 Ų52.437%0.37426%0.257SS..SBendtrans-80.3159.9-179.8-65.3167.6-12.800111.5S415 L420S415-Q417 PolarHBondContact OG-O 3.45Å; Q417-L420 HydrophobicContact CB-CD1 3.82Å
418K96.9Very high98.2Very high151 Ų15150.1 Ų50.166%0.65724%0.243SC*.SBendtrans-83.7165.7177.6-61.1-177.3-178.6175.10110.5L420 N445K418-L420 VanDerWaalsContact C-N 3.27Å; K418-L420 PolarHBondContact O-N 3.02Å; K418-N445 WeakPolarHBondContact CA-OD1 3.35Å; K418-N445 WeakPolarHBondContact CB-OD1 3.44Å; K418-N445 HydrophobicContact CG-CB 4.17Å
419K97.4Very high98.3Very high184 Ų18447 Ų4780%0.823%0.233SC*.SBendtrans60.329.7175.2-54.9-178.5177.3-179.90114.9N445K419-N445 PolarHBondContact N-OD1 2.97Å
420L98.1Very high98.3Very high9 Ų949.7 Ų49.75%0.04725%0.245CC..  trans-114.220.5176.8-66.1178.4000112.5Q417 K418 E422 E423 R424 I466 E468 L471Q417-L420 HydrophobicContact CB-CD1 3.82Å; K418-L420 VanDerWaalsContact C-N 3.27Å; K418-L420 PolarHBondContact O-N 3.02Å; L420-E422 VanDerWaalsContact C-N 3.34Å; L420-E423 HydrophobicContact CD2-CG 4.36Å; L420-E423 PolarHBondContact O-N 3.13Å; L420-R424 WeakPolarHBondContact O-CG 3.37Å; L420-R424 PolarHBondContact O-N 3.31Å; L420-I466 HydrophobicContact CD1-CG2 4.45Å; L420-E468 HydrophobicContact CD2-CG 4.34Å; L420-L471 HydrophobicContact CD2-CD1 3.96Å
421L98.5Very high98.3Very high36 Ų3649.2 Ų49.219%0.18824%0.243CC..Hα-helixtrans-64.4-44.2-179.7173.362.2000110.6E423 R424 L425 L440 K444L421-E423 VanDerWaalsContact C-N 3.31Å; L421-E423 PolarHBondContact O-N 3.03Å; L421-R424 PolarHBondContact O-N 3.49Å; L421-L425 HydrophobicContact CD1-CD1 4.14Å; L421-L425 HydrophobicContact CD1-CG 4.03Å; L421-L425 HydrophobicContact CD2-CD1 4.44Å; L421-L425 HydrophobicContact CG-CD1 3.88Å; L421-L425 HydrophobicContact CG-CG 4.24Å; L421-L425 WeakPolarHBondContact O-CB 3.49Å; L421-L425 VanDerWaalsContact O-CG 3.32Å; L421-L425 WeakPolarHBondContact O-CG 3.4Å; L421-L425 PolarHBondContact O-N 3.33Å; L421-L440 HydrophobicContact CD1-CD1 4.34Å; L421-K444 HydrophobicContact CD2-CB 4.49Å; L421-K444 HydrophobicContact CD2-CG 3.95Å
422E98.5Very high98.3Very high129 Ų12955.1 Ų55.160%0.60327%0.265SS*.Hα-helixtrans-59.4-42.6-179.4-65.777.5-17600111L420 L425 K426L420-E422 VanDerWaalsContact C-N 3.34Å; E422-L425 PolarHBondContact O-N 3.25Å; E422-K426 WeakPolarHBondContact O-CB 3.4Å; E422-K426 PolarHBondContact O-N 3.28Å
423E98.4Very high98.3Very high61 Ų6161.5 Ų61.529%0.28530%0.299SS..Hα-helixtrans-69.6-37.9176.3-65.8-6114900112.5L420 L421 K426 L427 I466 L471L420-E423 HydrophobicContact CD2-CG 4.36Å; L420-E423 PolarHBondContact O-N 3.13Å; L421-E423 VanDerWaalsContact C-N 3.31Å; L421-E423 PolarHBondContact O-N 3.03Å; E423-K426 PolarHBondContact O-N 3.11Å; E423-L427 PolarHBondContact O-N 3.08Å; E423-I466 HydrophobicContact CB-CD1 4.32Å; E423-I466 HydrophobicContact CB-CG2 4.33Å; E423-L471 HydrophobicContact CB-CD1 4.21Å; E423-L471 HydrophobicContact CG-CD1 3.72Å; E423-L471 HydrophobicContact CG-CD2 4.46Å
424R98.6Very high98.2Very high0 Ų063.2 Ų63.20%031%0.314CS..Hα-helixtrans-64.4-40.4172.4-69.3-166.5-51.6-93.3-4.9111.8V413 S415 L420 L421 L427 V428 L440 K443 K444 I466V413-R424 HydrophobicContact CG1-CB 3.79Å; V413-R424 HydrophobicContact CG1-CG 3.84Å; S415-R424 PolarHBondContact OG-NH1 2.81Å; L420-R424 WeakPolarHBondContact O-CG 3.37Å; L420-R424 PolarHBondContact O-N 3.31Å; L421-R424 PolarHBondContact O-N 3.49Å; R424-L427 PolarHBondContact O-N 3.49Å; R424-V428 WeakPolarHBondContact O-CB 3.5Å; R424-V428 WeakPolarHBondContact O-CG1 3.34Å; R424-V428 PolarHBondContact O-N 3.3Å; R424-L440 HydrophobicContact CB-CD1 4.02Å; R424-K443 PolarHBondContact NH2-O 3.46Å; R424-K444 PolarHBondContact NH2-O 2.98Å; R424-I466 HydrophobicContact CB-CD1 4.42Å; R424-I466 HydrophobicContact CG-CD1 3.95Å
425L98.8Very high98.1Very high88 Ų8865.6 Ų65.646%0.46134%0.338SS..Hα-helixtrans-64.3-40.5175.9-73.6171000111.5L421 E422 V428 S429 L440L421-L425 HydrophobicContact CD1-CD1 4.14Å; L421-L425 HydrophobicContact CD1-CG 4.03Å; L421-L425 HydrophobicContact CD2-CD1 4.44Å; L421-L425 HydrophobicContact CG-CD1 3.88Å; L421-L425 HydrophobicContact CG-CG 4.24Å; L421-L425 WeakPolarHBondContact O-CB 3.49Å; L421-L425 VanDerWaalsContact O-CG 3.32Å; L421-L425 WeakPolarHBondContact O-CG 3.4Å; L421-L425 PolarHBondContact O-N 3.33Å; E422-L425 PolarHBondContact O-N 3.25Å; L425-V428 WeakPolarHBondContact O-CG1 3.29Å; L425-S429 WeakPolarHBondContact O-CB 3.39Å; L425-S429 PolarHBondContact O-N 3.42Å; L425-L440 HydrophobicContact CD2-CD1 3.86Å; L425-L440 HydrophobicContact CG-CD1 4.28Å
426K98.6Very high98.1Very high110 Ų11065.7 Ų65.748%0.47834%0.338SS..Hα-helixtrans-62.5-51.4175-174.5-179.3176.4-177.30111.3E422 E423 S429 E430E422-K426 WeakPolarHBondContact O-CB 3.4Å; E422-K426 PolarHBondContact O-N 3.28Å; E423-K426 PolarHBondContact O-N 3.11Å; K426-S429 PolarHBondContact O-N 2.95Å; K426-E430 WeakPolarHBondContact CE-OE1 3.41Å; K426-E430 WeakPolarHBondContact CG-OE1 3.36Å; K426-E430 WeakPolarHBondContact O-CG 3.4Å; K426-E430 PolarHBondContact O-N 3.39Å
427L98.6Very high98.2Very high3 Ų366.7 Ų66.72%0.01633%0.331CS..Hα-helixtrans-65.1-42.9-178.1-175.662.7000112.6V413 E423 R424 S429 E430 L431 A464 I466 I476 L494V413-L427 HydrophobicContact CG1-CB 4.28Å; V413-L427 HydrophobicContact CG1-CD2 4.03Å; V413-L427 HydrophobicContact CG1-CG 4.45Å; V413-L427 HydrophobicContact CG2-CD2 4.31Å; V413-L427 HydrophobicContact CG2-CG 4.33Å; E423-L427 PolarHBondContact O-N 3.08Å; R424-L427 PolarHBondContact O-N 3.49Å; L427-S429 VanDerWaalsContact C-N 3.28Å; L427-S429 PolarHBondContact O-N 3.19Å; L427-E430 PolarHBondContact O-N 3.04Å; L427-L431 HydrophobicContact CG-CD1 4.29Å; L427-L431 WeakPolarHBondContact O-CG 3.17Å; L427-L431 PolarHBondContact O-N 2.86Å; L427-A464 HydrophobicContact CD2-CB 4.36Å; L427-I466 HydrophobicContact CB-CD1 3.95Å; L427-I466 HydrophobicContact CD2-CD1 3.72Å; L427-I466 HydrophobicContact CD2-CG1 3.93Å; L427-I466 HydrophobicContact CG-CD1 4.5Å; L427-I476 HydrophobicContact CD2-CD1 3.87Å; L427-I476 HydrophobicContact CD2-CG1 4.26Å; L427-I476 HydrophobicContact CD2-CG2 4.42Å; L427-L494 HydrophobicContact CD1-CD2 3.82Å; L427-L494 HydrophobicContact CD2-CD2 4.25Å; L427-L494 HydrophobicContact CG-CD2 4.46Å
428V98.8Very high98.3Very high1 Ų163.1 Ų63.11%0.00632%0.315CS..Hα-helixtrans-64.7-35.5179.976.90000111.4V413 R424 L425 L431 W432 A438 L440V413-V428 HydrophobicContact CB-CB 4.37Å; V413-V428 HydrophobicContact CG2-CB 3.93Å; V413-V428 HydrophobicContact CG2-CG2 4.13Å; R424-V428 WeakPolarHBondContact O-CB 3.5Å; R424-V428 WeakPolarHBondContact O-CG1 3.34Å; R424-V428 PolarHBondContact O-N 3.3Å; L425-V428 WeakPolarHBondContact O-CG1 3.29Å; V428-L431 PolarHBondContact O-N 3.44Å; V428-W432 HydrophobicContact CG1-CE3 4.44Å; V428-W432 HydrophobicContact CG1-CH2 3.95Å; V428-W432 HydrophobicContact CG1-CZ2 4.32Å; V428-W432 HydrophobicContact CG1-CZ3 4.01Å; V428-W432 HydrophobicContact CG2-CD2 4.21Å; V428-W432 HydrophobicContact CG2-CH2 4.07Å; V428-W432 HydrophobicContact CG2-CZ2 3.57Å; V428-W432 VanDerWaalsContact O-CG 3.29Å; V428-W432 PolarHBondContact O-N 3.12Å; V428-A438 HydrophobicContact CG2-CB 3.8Å; V428-L440 HydrophobicContact CB-CD2 4.48Å; V428-L440 HydrophobicContact CG1-CD1 4.33Å; V428-L440 HydrophobicContact CG1-CD2 3.95Å; V428-L440 HydrophobicContact CG2-CD2 4.29Å
429S98.8Very high98.4Very high49 Ų4958 Ų5834%0.34329%0.294SS..Hα-helixtrans-64.5-46.9173.3-166.20000111.5L425 K426 L427 L431 W432 D433L425-S429 WeakPolarHBondContact O-CB 3.39Å; L425-S429 PolarHBondContact O-N 3.42Å; K426-S429 PolarHBondContact O-N 2.95Å; L427-S429 VanDerWaalsContact C-N 3.28Å; L427-S429 PolarHBondContact O-N 3.19Å; S429-L431 PolarHBondContact O-N 2.9Å; S429-W432 PolarHBondContact O-N 3.06Å; S429-W432 VanDerWaalsContact O-N 3.11Å; S429-D433 WeakPolarHBondContact O-CB 3.23Å; S429-D433 VanDerWaalsContact O-CG 3.22Å; S429-D433 PolarHBondContact O-N 2.79Å
430E98.4Very high98.4Very high69 Ų6949.6 Ų49.632%0.32226%0.258SS..Hα-helixtrans-56.9-39.2175.9-72.6167.4-165.500111.8K426 L427 A434 R491K426-E430 WeakPolarHBondContact CE-OE1 3.41Å; K426-E430 WeakPolarHBondContact CG-OE1 3.36Å; K426-E430 WeakPolarHBondContact O-CG 3.4Å; K426-E430 PolarHBondContact O-N 3.39Å; L427-E430 PolarHBondContact O-N 3.04Å; E430-A434 WeakPolarHBondContact O-CB 3.48Å; E430-A434 PolarHBondContact O-N 2.65Å; E430-A434 VanDerWaalsContact O-N 3.13Å; E430-R491 IonicContact OE1-CZ 3.17Å; E430-R491 IonicContact OE1-NE 2.68Å; E430-R491 IonicContact OE1-NH2 2.76Å; E430-R491 PolarHBondContact OE1-NH2 3.43Å; E430-R491 IonicContact OE2-CZ 3.92Å; E430-R491 IonicContact OE2-NE 3.3Å; E430-R491 PolarHBondContact OE2-NE 3.42Å; E430-R491 IonicContact OE2-NH2 2.78Å; E430-R491 PolarHBondContact OE2-NH2 3.13Å
431L98.4Very high98.4Very high2 Ų250.8 Ų50.81%0.0126%0.264CS..Hα-helixtrans-68.4-42.1176.2-68.9174.2000112.1V411 V413 L427 V428 S429 A434 G435 I436 A438 L494 V495 I498V411-L431 HydrophobicContact CG1-CD1 3.93Å; V413-L431 HydrophobicContact CG2-CD1 3.71Å; L427-L431 HydrophobicContact CG-CD1 4.29Å; L427-L431 WeakPolarHBondContact O-CG 3.17Å; L427-L431 PolarHBondContact O-N 2.86Å; V428-L431 PolarHBondContact O-N 3.44Å; S429-L431 PolarHBondContact O-N 2.9Å; L431-A434 CarbonylContact O-C 3.53Å; L431-A434 PolarHBondContact O-N 2.96Å; L431-G435 PolarHBondContact O-N 3.25Å; L431-I436 HydrophobicContact CB-CB 4.16Å; L431-I436 HydrophobicContact CB-CG2 4.45Å; L431-I436 HydrophobicContact CD2-CB 4.45Å; L431-I436 HydrophobicContact CD2-CG1 4.4Å; L431-I436 WeakPolarHBondContact O-CB 3.41Å; L431-I436 PolarHBondContact O-N 3.18Å; L431-A438 HydrophobicContact CB-CB 3.84Å; L431-A438 HydrophobicContact CD1-CB 3.9Å; L431-L494 HydrophobicContact CD2-CD2 4.18Å; L431-L494 HydrophobicContact CD2-CG 4.46Å; L431-V495 HydrophobicContact CD2-CG2 4.2Å; L431-I498 HydrophobicContact CD1-CD1 4.46Å; L431-I498 HydrophobicContact CD2-CD1 3.7Å
432W98.6Very high98.4Very high124 Ų12458.5 Ų58.547%0.4729%0.292SS..Hα-helixtrans-63.5-43.8174.6-67.8-29000112.3V428 S429 A434 G435 A438 L440V428-W432 HydrophobicContact CG1-CE3 4.44Å; V428-W432 HydrophobicContact CG1-CH2 3.95Å; V428-W432 HydrophobicContact CG1-CZ2 4.32Å; V428-W432 HydrophobicContact CG1-CZ3 4.01Å; V428-W432 HydrophobicContact CG2-CD2 4.21Å; V428-W432 HydrophobicContact CG2-CH2 4.07Å; V428-W432 HydrophobicContact CG2-CZ2 3.57Å; V428-W432 VanDerWaalsContact O-CG 3.29Å; V428-W432 PolarHBondContact O-N 3.12Å; S429-W432 PolarHBondContact O-N 3.06Å; S429-W432 VanDerWaalsContact O-N 3.11Å; W432-A434 PolarHBondContact O-N 2.93Å; W432-G435 PolarHBondContact O-N 2.8Å; W432-A438 PolarHBondContact NE1-O 2.87Å; W432-L440 HydrophobicContact CH2-CD2 4.5Å
433D98.3Very high98.4Very high134 Ų13459.1 Ų59.172%0.71729%0.292SS*.Hα-helixtrans-61.1-28.7176.5-66.3-27.8000111.5S429 G435S429-D433 WeakPolarHBondContact O-CB 3.23Å; S429-D433 VanDerWaalsContact O-CG 3.22Å; S429-D433 PolarHBondContact O-N 2.79Å; D433-G435 VanDerWaalsContact C-N 3.33Å
434A97.6Very high98.3Very high36 Ų3663.7 Ų63.730%0.29831%0.311SS..THydrogen-bonded Turntrans-85.84.1174.100000114.6E430 L431 W432 I436 V495E430-A434 WeakPolarHBondContact O-CB 3.48Å; E430-A434 PolarHBondContact O-N 2.65Å; E430-A434 VanDerWaalsContact O-N 3.13Å; L431-A434 CarbonylContact O-C 3.53Å; L431-A434 PolarHBondContact O-N 2.96Å; W432-A434 PolarHBondContact O-N 2.93Å; A434-I436 VanDerWaalsContact C-N 3.33Å; A434-I436 PolarHBondContact O-N 2.95Å; A434-V495 HydrophobicContact CB-CB 4.43Å; A434-V495 HydrophobicContact CB-CG1 3.81Å; A434-V495 HydrophobicContact CB-CG2 3.69Å
435G97.1Very high98.3Very high49 Ų4967.5 Ų67.551%0.50533%0.332SS..THydrogen-bonded Turntrans76.912.8179.700000115L431 W432 D433L431-G435 PolarHBondContact O-N 3.25Å; W432-G435 PolarHBondContact O-N 2.8Å; D433-G435 VanDerWaalsContact C-N 3.33Å
436I98.1Very high98.2Very high2 Ų263.9 Ų63.91%0.0131%0.313CS..  trans-83133.5175.3-59.3-61.6000109.8Q410 V411 L431 A434 A438 V495 I498 K499Q410-I436 HydrophobicContact CB-CG2 4.35Å; V411-I436 HydrophobicContact CG1-CG2 3.87Å; L431-I436 HydrophobicContact CB-CB 4.16Å; L431-I436 HydrophobicContact CB-CG2 4.45Å; L431-I436 HydrophobicContact CD2-CB 4.45Å; L431-I436 HydrophobicContact CD2-CG1 4.4Å; L431-I436 WeakPolarHBondContact O-CB 3.41Å; L431-I436 PolarHBondContact O-N 3.18Å; A434-I436 VanDerWaalsContact C-N 3.33Å; A434-I436 PolarHBondContact O-N 2.95Å; I436-A438 HydrophobicContact CG2-CB 4.49Å; I436-A438 PolarHBondContact O-N 3.38Å; I436-V495 HydrophobicContact CD1-CG1 4.45Å; I436-V495 HydrophobicContact CG1-CG1 4.26Å; I436-I498 HydrophobicContact CD1-CB 4.45Å; I436-I498 HydrophobicContact CD1-CG2 4.09Å; I436-I498 HydrophobicContact CG2-CD1 4.46Å; I436-I498 HydrophobicContact CG2-CG2 3.85Å; I436-K499 HydrophobicContact CD1-CG 3.71Å
437K98.5Very high98.2Very high83 Ų8366 Ų6636%0.36132%0.322SS..  trans-77.686.6175.9-58.6169.2-168166.40109E408 T409 Q410 V411E408-K437 HydrophobicContact CB-CD 3.65Å; E408-K437 WeakPolarHBondContact O-CD 3.27Å; E408-K437 WeakPolarHBondContact OE2-CE 3.39Å; E408-K437 IonicContact OE2-NZ 3.79Å; E408-K437 PolarHBondContact OE2-NZ 3.48Å; T409-K437 CarbonylContact C-O 3.41Å; T409-K437 WeakPolarHBondContact CA-O 3.27Å; Q410-K437 HydrophobicContact CG-CB 4.29Å; Q410-K437 PolarHBondContact N-O 2.98Å; V411-K437 PolarHBondContact N-O 3.03Å
438A98.6Very high98.1Very high5 Ų567.8 Ų67.84%0.04133%0.332CS..EExtended strand (participates in β ladder)trans-107.3155.2-178.300000112.4V411 V428 L431 W432 I436V411-A438 HydrophobicContact CG1-CB 3.78Å; V411-A438 VanDerWaalsContact O-CA 3.28Å; V411-A438 WeakPolarHBondContact O-CA 3.46Å; V428-A438 HydrophobicContact CG2-CB 3.8Å; L431-A438 HydrophobicContact CB-CB 3.84Å; L431-A438 HydrophobicContact CD1-CB 3.9Å; W432-A438 PolarHBondContact NE1-O 2.87Å; I436-A438 HydrophobicContact CG2-CB 4.49Å; I436-A438 PolarHBondContact O-N 3.38Å
439E98.7Very high98.1Very high44 Ų4473 Ų7321%0.20636%0.36CS..EExtended strand (participates in β ladder)trans-135.8165.9171.4-74.4-174.6-131.300111.2T409 V411 L412 V413 Y454T409-E439 WeakPolarHBondContact CB-OE1 3.21Å; T409-E439 HydrophobicContact CG2-CB 3.93Å; T409-E439 HydrophobicContact CG2-CG 3.65Å; T409-E439 PolarHBondContact OG1-OE1 3.44Å; V411-E439 PolarHBondContact O-N 3.19Å; L412-E439 CarbonylContact C-O 3.4Å; L412-E439 WeakPolarHBondContact CA-O 3.4Å; L412-E439 HydrophobicContact CD1-CB 3.91Å; V413-E439 PolarHBondContact N-O 3.05Å; E439-Y454 PolarHBondContact OE2-OH 3.01Å
440L98.7Very high98.1Very high8 Ų874.6 Ų74.64%0.04236%0.364CS..EExtended strand (participates in β ladder)trans-142152.5164.577171000109.8V413 L421 R424 L425 V428 W432 Y442V413-L440 HydrophobicContact CB-CB 4.37Å; L421-L440 HydrophobicContact CD1-CD1 4.34Å; R424-L440 HydrophobicContact CB-CD1 4.02Å; L425-L440 HydrophobicContact CD2-CD1 3.86Å; L425-L440 HydrophobicContact CG-CD1 4.28Å; V428-L440 HydrophobicContact CB-CD2 4.48Å; V428-L440 HydrophobicContact CG1-CD1 4.33Å; V428-L440 HydrophobicContact CG1-CD2 3.95Å; V428-L440 HydrophobicContact CG2-CD2 4.29Å; W432-L440 HydrophobicContact CH2-CD2 4.5Å; L440-Y442 HydrophobicContact CD2-CE1 4.16Å; L440-Y442 PolarHBondContact O-N 3Å
441L98.4Very high98.1Very high34 Ų3471.3 Ų71.318%0.17835%0.349CS..  trans-70.6133.5171.7-63.8-168.5000110.9K443 P446 Q451 Y454L441-K443 PolarHBondContact O-N 3.26Å; L441-P446 HydrophobicContact CB-CB 4.46Å; L441-P446 HydrophobicContact CD1-CB 4.3Å; L441-Q451 HydrophobicContact CD1-CB 4.35Å; L441-Q451 HydrophobicContact CD1-CG 3.52Å; L441-Q451 HydrophobicContact CG-CG 4.01Å; L441-Y454 HydrophobicContact CD2-CD1 3.93Å; L441-Y454 HydrophobicContact CD2-CD2 4.15Å; L441-Y454 HydrophobicContact CD2-CE1 4.31Å; L441-Y454 HydrophobicContact CD2-CG 3.84Å
442Y98.3Very high98Very high197 Ų19772.6 Ų72.677%0.77336%0.355SS*.SBendtrans-74.959.3177.2-53.2-50.4000112.9L440L440-Y442 HydrophobicContact CD2-CE1 4.16Å; L440-Y442 PolarHBondContact O-N 3Å
443K97.6Very high98Very high142 Ų14270.5 Ų70.562%0.61735%0.351SS*.  trans-135.9141.6177.3-62.9-66.1179.3-175.10108.6R424 L441 P446R424-K443 PolarHBondContact NH2-O 3.46Å; L441-K443 PolarHBondContact O-N 3.26Å; K443-P446 HydrophobicContact CB-CB 4.14Å
444K97.2Very high98Very high157 Ų15767.6 Ų67.668%0.68333%0.33SS*.SBendtrans-61.4-47.8174.5-65.6-175177-174.40111.2L421 R424L421-K444 HydrophobicContact CD2-CB 4.49Å; L421-K444 HydrophobicContact CD2-CG 3.95Å; R424-K444 PolarHBondContact NH2-O 2.98Å
445N97.9Very high98Very high81 Ų8165.9 Ų65.943%0.43332%0.316SS..SBendtrans-131.370.8-175-55.7-58.5000111.4K418 K419K418-N445 WeakPolarHBondContact CA-OD1 3.35Å; K418-N445 WeakPolarHBondContact CB-OD1 3.44Å; K418-N445 HydrophobicContact CG-CB 4.17Å; K419-N445 PolarHBondContact N-OD1 2.97Å
446P97.5Very high98Very high11 Ų1168 Ų687%0.07131%0.313CS..  trans-67.6145.6177.129.9-33.7000111.1L441 K443 Q451L441-P446 HydrophobicContact CB-CB 4.46Å; L441-P446 HydrophobicContact CD1-CB 4.3Å; K443-P446 HydrophobicContact CB-CB 4.14Å; P446-Q451 HydrophobicContact CB-CG 3.91Å; P446-Q451 HydrophobicContact CG-CG 4.26Å; P446-Q451 PolarHBondContact O-NE2 3.32Å
447K98.1Very high97.8Very high154 Ų15474.6 Ų74.667%0.6734%0.344SS*.  trans-73.7140.9168.7-70.7-173.6177.7-1780109.3L449 N450 Q451K447-L449 VanDerWaalsContact C-N 3.29Å; K447-L449 PolarHBondContact O-N 3Å; K447-N450 PolarHBondContact O-N 3.34Å; K447-Q451 VanDerWaalsContact C-NE2 3.28Å; K447-Q451 PolarHBondContact O-N 2.92Å; K447-Q451 PolarHBondContact O-NE2 2.55Å
448L97.6Very high97.6Very high42 Ų4271.5 Ų71.522%0.2233%0.333CS..Hα-helixtrans-59.3-40.8178.7-174.163.3000112A414 A416 N450 Q451 L452 I465A414-L448 HydrophobicContact CB-CD1 4.34Å; A416-L448 HydrophobicContact CB-CB 4.06Å; A416-L448 HydrophobicContact CB-CD2 4.21Å; L448-N450 VanDerWaalsContact C-N 3.35Å; L448-N450 PolarHBondContact O-N 3.49Å; L448-Q451 WeakPolarHBondContact O-CB 3.37Å; L448-Q451 PolarHBondContact O-N 3.49Å; L448-Q451 VanDerWaalsContact O-N 3.08Å; L448-L452 HydrophobicContact CD1-CG 4.5Å; L448-L452 HydrophobicContact CG-CD1 4.2Å; L448-L452 HydrophobicContact CG-CG 4.38Å; L448-L452 WeakPolarHBondContact O-CG 3.13Å; L448-L452 PolarHBondContact O-N 2.78Å; L448-I465 HydrophobicContact CD1-CD1 4.22Å; L448-I465 HydrophobicContact CD1-CG1 4.41Å
449L97.7Very high97.5Very high111 Ų11172.4 Ų72.458%0.58134%0.344SS*.Hα-helixtrans-54.7-48.6177.1-178.561.9000112.3K447 Q451 L452 Q453K447-L449 VanDerWaalsContact C-N 3.29Å; K447-L449 PolarHBondContact O-N 3Å; L449-Q451 VanDerWaalsContact C-N 3.26Å; L449-Q451 PolarHBondContact O-N 2.96Å; L449-L452 PolarHBondContact O-N 3.1Å; L449-Q453 HydrophobicContact CD1-CG 4.41Å; L449-Q453 WeakPolarHBondContact O-CG 3.46Å; L449-Q453 PolarHBondContact O-N 3.2Å
450N98Very high97.4Very high82 Ų8270.4 Ų70.444%0.43933%0.334SS..Hα-helixtrans-65.1-30.9179.6-62.635.5000112.4K447 L448 Y454K447-N450 PolarHBondContact O-N 3.34Å; L448-N450 VanDerWaalsContact C-N 3.35Å; L448-N450 PolarHBondContact O-N 3.49Å; N450-Y454 WeakPolarHBondContact O-CB 3.38Å; N450-Y454 PolarHBondContact O-N 3.36Å; N450-Y454 VanDerWaalsContact O-N 3.07Å
451Q98.4Very high97.4Very high0 Ų072 Ų720%035%0.345CS..Hα-helixtrans-70.2-42175.8-70.9164.5104.600111.2L412 A414 S415 L441 P446 K447 L448 L449 Y454 C455L412-Q451 HydrophobicContact CD2-CB 3.82Å; L412-Q451 HydrophobicContact CD2-CG 4.31Å; L412-Q451 WeakPolarHBondContact CD2-O 3.26Å; A414-Q451 HydrophobicContact CB-CB 4.32Å; A414-Q451 HydrophobicContact CB-CG 4.46Å; S415-Q451 PolarHBondContact O-NE2 2.65Å; L441-Q451 HydrophobicContact CD1-CB 4.35Å; L441-Q451 HydrophobicContact CD1-CG 3.52Å; L441-Q451 HydrophobicContact CG-CG 4.01Å; P446-Q451 HydrophobicContact CB-CG 3.91Å; P446-Q451 HydrophobicContact CG-CG 4.26Å; P446-Q451 PolarHBondContact O-NE2 3.32Å; K447-Q451 VanDerWaalsContact C-NE2 3.28Å; K447-Q451 PolarHBondContact O-N 2.92Å; K447-Q451 PolarHBondContact O-NE2 2.55Å; L448-Q451 WeakPolarHBondContact O-CB 3.37Å; L448-Q451 PolarHBondContact O-N 3.49Å; L448-Q451 VanDerWaalsContact O-N 3.08Å; L449-Q451 VanDerWaalsContact C-N 3.26Å; L449-Q451 PolarHBondContact O-N 2.96Å; Q451-Y454 PolarHBondContact O-N 3.5Å; Q451-C455 PolarHBondContact O-N 2.75Å; Q451-C455 PolarHBondContact O-SG 3.11Å
452L98Very high97.4Very high28 Ų2870.7 Ų70.715%0.14734%0.338CS..Hα-helixtrans-66.4-44.7175.7-64.6173.9000111.4L448 L449 Y454 C455 E456 V463L448-L452 HydrophobicContact CD1-CG 4.5Å; L448-L452 HydrophobicContact CG-CD1 4.2Å; L448-L452 HydrophobicContact CG-CG 4.38Å; L448-L452 WeakPolarHBondContact O-CG 3.13Å; L448-L452 PolarHBondContact O-N 2.78Å; L449-L452 PolarHBondContact O-N 3.1Å; L452-Y454 VanDerWaalsContact C-N 3.31Å; L452-Y454 PolarHBondContact O-N 3.32Å; L452-C455 WeakPolarHBondContact O-CA 3.32Å; L452-C455 WeakPolarHBondContact O-CB 3.45Å; L452-C455 PolarHBondContact O-N 3.34Å; L452-E456 WeakPolarHBondContact O-CG 3.4Å; L452-E456 PolarHBondContact O-N 3.03Å; L452-V463 HydrophobicContact CD2-CG2 4.02Å
453Q97.9Very high97.4Very high81 Ų8161.3 Ų61.338%0.37930%0.301SS..Hα-helixtrans-58.2-43175.5-74.5174.1-30.300111.8L449 C455 E456 E457L449-Q453 HydrophobicContact CD1-CG 4.41Å; L449-Q453 WeakPolarHBondContact O-CG 3.46Å; L449-Q453 PolarHBondContact O-N 3.2Å; Q453-C455 VanDerWaalsContact C-N 3.28Å; Q453-C455 PolarHBondContact O-N 3.19Å; Q453-E456 PolarHBondContact O-N 2.83Å; Q453-E457 WeakPolarHBondContact O-CB 3.46Å; Q453-E457 WeakPolarHBondContact O-CG 3.5Å; Q453-E457 PolarHBondContact O-N 3.4Å
454Y98.3Very high97.5Very high73 Ų7354.5 Ų54.529%0.28627%0.272SS..Hα-helixtrans-58.1-41173.7177.5-97.9000112.2L412 E439 L441 N450 Q451 L452 E457 A458 I460L412-Y454 HydrophobicContact CD1-CD1 4.09Å; L412-Y454 HydrophobicContact CD1-CE1 4.11Å; L412-Y454 HydrophobicContact CD2-CD1 4.33Å; E439-Y454 PolarHBondContact OE2-OH 3.01Å; L441-Y454 HydrophobicContact CD2-CD1 3.93Å; L441-Y454 HydrophobicContact CD2-CD2 4.15Å; L441-Y454 HydrophobicContact CD2-CE1 4.31Å; L441-Y454 HydrophobicContact CD2-CG 3.84Å; N450-Y454 WeakPolarHBondContact O-CB 3.38Å; N450-Y454 PolarHBondContact O-N 3.36Å; N450-Y454 VanDerWaalsContact O-N 3.07Å; Q451-Y454 PolarHBondContact O-N 3.5Å; L452-Y454 VanDerWaalsContact C-N 3.31Å; L452-Y454 PolarHBondContact O-N 3.32Å; Y454-E457 PolarHBondContact O-N 2.86Å; Y454-A458 HydrophobicContact CE1-CB 4.48Å; Y454-A458 VanDerWaalsContact O-CB 3.3Å; Y454-A458 WeakPolarHBondContact O-CB 3.25Å; Y454-A458 PolarHBondContact O-N 3.39Å; Y454-I460 HydrophobicContact CD1-CD1 4.1Å; Y454-I460 HydrophobicContact CE1-CD1 3.66Å
455C97.6Very high97.5Very high0 Ų047.7 Ų47.70%024%0.243CC..Hα-helixtrans-67.6-42.3177-61.50000112.4L412 Q451 L452 Q453 E457 A458 G459 I460 V463 V481L412-C455 VanDerWaalsContact CB-SG 3.5Å; L412-C455 WeakPolarHBondContact CD2-SG 3.43Å; Q451-C455 PolarHBondContact O-N 2.75Å; Q451-C455 PolarHBondContact O-SG 3.11Å; L452-C455 WeakPolarHBondContact O-CA 3.32Å; L452-C455 WeakPolarHBondContact O-CB 3.45Å; L452-C455 PolarHBondContact O-N 3.34Å; Q453-C455 VanDerWaalsContact C-N 3.28Å; Q453-C455 PolarHBondContact O-N 3.19Å; C455-E457 VanDerWaalsContact C-N 3.31Å; C455-E457 PolarHBondContact O-N 2.81Å; C455-A458 PolarHBondContact O-N 3.5Å; C455-G459 CarbonylContact O-C 3.51Å; C455-G459 WeakPolarHBondContact O-CA 3.36Å; C455-G459 PolarHBondContact O-N 3.17Å; C455-I460 HydrophobicContact CB-CB 3.97Å; C455-I460 PolarHBondContact O-N 3.38Å; C455-V463 HydrophobicContact CB-CG2 4.34Å; C455-V463 VanDerWaalsContact SG-CG2 3.54Å; C455-V481 HydrophobicContact CB-CG1 4.04Å; C455-V481 HydrophobicContact CB-CG2 3.71Å
456E96Very high97.5Very high92 Ų9244 Ų4443%0.4322%0.223SC..Hα-helixtrans-60-42.8174.7-68.5172.3167.900110.6K403 L452 Q453 V481K403-E456 PolarHBondContact NZ-O 3.43Å; L452-E456 WeakPolarHBondContact O-CG 3.4Å; L452-E456 PolarHBondContact O-N 3.03Å; Q453-E456 PolarHBondContact O-N 2.83Å; E456-V481 HydrophobicContact CG-CG1 3.74Å
457E94.9Very high97.5Very high141 Ų14143.6 Ų43.666%0.65922%0.221SC*.Hα-helixtrans-69.1-38.1177.7-75.8177.6-166.400113.7K403 Q453 Y454 C455K403-E457 WeakPolarHBondContact CE-O 3.46Å; K403-E457 PolarHBondContact NZ-O 3.49Å; Q453-E457 WeakPolarHBondContact O-CB 3.46Å; Q453-E457 WeakPolarHBondContact O-CG 3.5Å; Q453-E457 PolarHBondContact O-N 3.4Å; Y454-E457 PolarHBondContact O-N 2.86Å; C455-E457 VanDerWaalsContact C-N 3.31Å; C455-E457 PolarHBondContact O-N 2.81Å
458A94.8Very high97.5Very high18 Ų1841.3 Ų41.315%0.14921%0.213CC..Hα-helixtrans-88.7-11178.800000113.7Y454 C455 I460Y454-A458 HydrophobicContact CE1-CB 4.48Å; Y454-A458 VanDerWaalsContact O-CB 3.3Å; Y454-A458 WeakPolarHBondContact O-CB 3.25Å; Y454-A458 PolarHBondContact O-N 3.39Å; C455-A458 PolarHBondContact O-N 3.5Å; A458-I460 HydrophobicContact CB-CD1 4.03Å; A458-I460 HydrophobicContact CB-CG1 3.9Å
459G95.5Very high97.4Very high25 Ų2544 Ų4426%0.25822%0.224SC..THydrogen-bonded Turntrans71.726.6-173.800000113.7R405 C455R405-G459 WeakPolarHBondContact CD-O 3.47Å; R405-G459 PolarHBondContact NE-O 3.08Å; R405-G459 PolarHBondContact NH1-O 3.31Å; C455-G459 CarbonylContact O-C 3.51Å; C455-G459 WeakPolarHBondContact O-CA 3.36Å; C455-G459 PolarHBondContact O-N 3.17Å
460I97.7Very high97.3Very high2 Ų240.3 Ų40.31%0.0120%0.204CC..  trans-72.6125.7177.1-60.5171.8000108.2T409 L412 Y454 C455 A458 L462 V481T409-I460 HydrophobicContact CG2-CD1 3.76Å; T409-I460 HydrophobicContact CG2-CG1 4.02Å; T409-I460 HydrophobicContact CG2-CG2 4.24Å; L412-I460 HydrophobicContact CB-CG2 4.48Å; Y454-I460 HydrophobicContact CD1-CD1 4.1Å; Y454-I460 HydrophobicContact CE1-CD1 3.66Å; C455-I460 HydrophobicContact CB-CB 3.97Å; C455-I460 PolarHBondContact O-N 3.38Å; A458-I460 HydrophobicContact CB-CD1 4.03Å; A458-I460 HydrophobicContact CB-CG1 3.9Å; I460-L462 WeakPolarHBondContact CG2-O 3.33Å; I460-V481 WeakPolarHBondContact O-CB 3.33Å; I460-V481 VanDerWaalsContact O-CG2 3.29Å; I460-V481 WeakPolarHBondContact O-CG2 3.48Å
461P97.6Very high97.1Very high40 Ų4038.7 Ų38.726%0.2620%0.195SC..  trans-80-26.3-170.429-33.8000114T409 Q410 V481 T502T409-P461 WeakPolarHBondContact O-CD 3.2Å; Q410-P461 WeakPolarHBondContact O-CD 3.43Å; Q410-P461 WeakPolarHBondContact O-CG 3.44Å; P461-V481 PolarHBondContact O-N 3.2Å; P461-T502 HydrophobicContact CG-CG2 4.06Å
462L98.6Very high97Very high7 Ų746.3 Ų46.34%0.03723%0.228CC..EExtended strand (participates in β ladder)trans-128.8151.4-172.1-59.4171.5000112.8Q410 V411 L412 I460 L478 R479 I498 R501 T502Q410-L462 WeakPolarHBondContact O-CB 3.43Å; Q410-L462 PolarHBondContact O-N 3.09Å; V411-L462 CarbonylContact C-O 3.53Å; V411-L462 VanDerWaalsContact CA-O 3.3Å; V411-L462 WeakPolarHBondContact CA-O 3.44Å; V411-L462 HydrophobicContact CB-CB 4.13Å; V411-L462 HydrophobicContact CG2-CB 3.97Å; L412-L462 PolarHBondContact N-O 2.7Å; I460-L462 WeakPolarHBondContact CG2-O 3.33Å; L462-L478 HydrophobicContact CB-CD1 4.14Å; L462-R479 CarbonylContact C-O 3.55Å; L462-R479 WeakPolarHBondContact CA-O 3.5Å; L462-I498 HydrophobicContact CD1-CG1 4.33Å; L462-I498 HydrophobicContact CD1-CG2 4.22Å; L462-R501 HydrophobicContact CD1-CB 4.03Å; L462-T502 HydrophobicContact CD1-CG2 3.88Å
463V98.8Very high96.9Very high0 Ų049.6 Ų49.60%025%0.246CC..EExtended strand (participates in β ladder)trans-129.8121.9170.6-175.30000109.7L412 A414 L452 C455 I465 R479 V481L412-V463 HydrophobicContact CB-CG2 4.41Å; L412-V463 CarbonylContact O-C 3.59Å; L412-V463 VanDerWaalsContact O-CA 3.29Å; L412-V463 WeakPolarHBondContact O-CA 3.3Å; L412-V463 WeakPolarHBondContact O-CG1 3.41Å; A414-V463 HydrophobicContact CB-CG1 3.41Å; A414-V463 VanDerWaalsContact CB-CG1 3.41Å; L452-V463 HydrophobicContact CD2-CG2 4.02Å; C455-V463 HydrophobicContact CB-CG2 4.34Å; C455-V463 VanDerWaalsContact SG-CG2 3.54Å; V463-I465 HydrophobicContact CB-CG1 4.44Å; V463-I465 HydrophobicContact CG1-CD1 4.47Å; V463-I465 HydrophobicContact CG1-CG1 3.74Å; V463-R479 HydrophobicContact CB-CB 4.43Å; V463-R479 PolarHBondContact N-O 3.4Å; V463-R479 PolarHBondContact O-N 3.43Å; V463-V481 HydrophobicContact CG2-CG2 3.59Å
464A98.7Very high96.9Very high0 Ų047.6 Ų47.60%025%0.247CC..EExtended strand (participates in β ladder)trans-92101.4174.200000109.2V411 L412 A414 L427 I476 L478V411-A464 HydrophobicContact CG2-CB 3.75Å; L412-A464 PolarHBondContact O-N 2.9Å; A414-A464 PolarHBondContact N-O 2.94Å; L427-A464 HydrophobicContact CD2-CB 4.36Å; A464-I476 HydrophobicContact CB-CG2 3.86Å; A464-L478 HydrophobicContact CB-CD1 4.42Å
465I98.6Very high96.9Very high13 Ų1345.4 Ų45.47%0.06724%0.241CC..EExtended strand (participates in β ladder)trans-93.9121.3-173.6-52.7171.7000109.9A414 L448 V463 K477 R479A414-I465 HydrophobicContact CB-CG1 4.49Å; A414-I465 CarbonylContact O-C 3.54Å; A414-I465 WeakPolarHBondContact O-CA 3.35Å; L448-I465 HydrophobicContact CD1-CD1 4.22Å; L448-I465 HydrophobicContact CD1-CG1 4.41Å; V463-I465 HydrophobicContact CB-CG1 4.44Å; V463-I465 HydrophobicContact CG1-CD1 4.47Å; V463-I465 HydrophobicContact CG1-CG1 3.74Å; I465-K477 HydrophobicContact CB-CB 4.26Å; I465-K477 PolarHBondContact N-O 3.13Å; I465-K477 PolarHBondContact O-N 3.33Å; I465-R479 HydrophobicContact CD1-CB 4.06Å
466I98.2Very high96.9Very high3 Ų345.5 Ų45.52%0.01524%0.242CC..EExtended strand (participates in β ladder)trans-95.2137.5173.7-50-176.2000109.6V413 A414 S415 L420 E423 R424 L427 L471 I476V413-I466 HydrophobicContact CG1-CD1 3.97Å; V413-I466 HydrophobicContact CG1-CG1 4.45Å; A414-I466 PolarHBondContact O-N 3.36Å; S415-I466 WeakPolarHBondContact CA-O 3.48Å; S415-I466 WeakPolarHBondContact CB-O 3.48Å; L420-I466 HydrophobicContact CD1-CG2 4.45Å; E423-I466 HydrophobicContact CB-CD1 4.32Å; E423-I466 HydrophobicContact CB-CG2 4.33Å; R424-I466 HydrophobicContact CB-CD1 4.42Å; R424-I466 HydrophobicContact CG-CD1 3.95Å; L427-I466 HydrophobicContact CB-CD1 3.95Å; L427-I466 HydrophobicContact CD2-CD1 3.72Å; L427-I466 HydrophobicContact CD2-CG1 3.93Å; L427-I466 HydrophobicContact CG-CD1 4.5Å; I466-L471 HydrophobicContact CG2-CD1 3.73Å; I466-L471 HydrophobicContact CG2-CD2 3.79Å; I466-L471 HydrophobicContact CG2-CG 3.65Å; I466-I476 HydrophobicContact CG1-CD1 4.07Å
467G97.3Very high97Very high4 Ų443.6 Ų43.64%0.04123%0.232CC..  trans-141.4161.8166.700000111Q469 E470 L471G467-Q469 VanDerWaalsContact C-N 3.26Å; G467-Q469 PolarHBondContact O-N 3.1Å; G467-E470 WeakPolarHBondContact CA-OE2 3.23Å; G467-E470 PolarHBondContact O-N 3.44Å; G467-L471 WeakPolarHBondContact O-CG 3.48Å; G467-L471 PolarHBondContact O-N 3.04Å
468E96.8Very high97.2Very high106 Ų10636.9 Ų36.950%0.49520%0.201SC..Hα-helixtrans-59.3-35-177.8-75177.7-161.900113L420 K472L420-E468 HydrophobicContact CD2-CG 4.34Å; E468-K472 WeakPolarHBondContact O-CG 3.34Å; E468-K472 PolarHBondContact O-N 3.5Å
469Q95.7Very high97.4Very high98 Ų9838.7 Ų38.746%0.45820%0.204SC..Hα-helixtrans-76-44178-173.456.744.800110.7G467 L471 K472 D473G467-Q469 VanDerWaalsContact C-N 3.26Å; G467-Q469 PolarHBondContact O-N 3.1Å; Q469-L471 VanDerWaalsContact C-N 3.25Å; Q469-L471 PolarHBondContact O-N 3.26Å; Q469-K472 WeakPolarHBondContact O-CB 3.36Å; Q469-K472 PolarHBondContact O-N 3.36Å; Q469-D473 WeakPolarHBondContact CG-OD2 3.41Å; Q469-D473 VanDerWaalsContact NE2-CG 3.28Å; Q469-D473 PolarHBondContact NE2-OD1 3.28Å; Q469-D473 PolarHBondContact NE2-OD2 3.33Å; Q469-D473 VanDerWaalsContact O-CG 3.31Å; Q469-D473 PolarHBondContact O-N 2.99Å
470E95.4Very high97.5Very high34 Ų3438.2 Ų38.216%0.15920%0.196CC..Hα-helixtrans-57.8-38.4175.6-6982.9175.500112G467 D473 G474 V475 K477G467-E470 WeakPolarHBondContact CA-OE2 3.23Å; G467-E470 PolarHBondContact O-N 3.44Å; E470-D473 CarbonylContact O-C 3.54Å; E470-D473 PolarHBondContact O-N 2.98Å; E470-G474 PolarHBondContact O-N 3.08Å; E470-V475 CarbonylContact C-O 3.52Å; E470-V475 HydrophobicContact CB-CG2 4.02Å; E470-V475 WeakPolarHBondContact CB-O 3.43Å; E470-V475 HydrophobicContact CG-CG2 4.17Å; E470-V475 PolarHBondContact O-N 3.42Å; E470-K477 WeakPolarHBondContact OE1-CE 3.43Å; E470-K477 IonicContact OE1-NZ 2.87Å; E470-K477 PolarHBondContact OE1-NZ 3.43Å
471L94.7Very high97.4Very high48 Ų4838.8 Ų38.825%0.25120%0.2SC..Hα-helixtrans-63.8-40.1173.6-73.1169.6000113.1L420 E423 I466 G467 Q469 D473 G474L420-L471 HydrophobicContact CD2-CD1 3.96Å; E423-L471 HydrophobicContact CB-CD1 4.21Å; E423-L471 HydrophobicContact CG-CD1 3.72Å; E423-L471 HydrophobicContact CG-CD2 4.46Å; I466-L471 HydrophobicContact CG2-CD1 3.73Å; I466-L471 HydrophobicContact CG2-CD2 3.79Å; I466-L471 HydrophobicContact CG2-CG 3.65Å; G467-L471 WeakPolarHBondContact O-CG 3.48Å; G467-L471 PolarHBondContact O-N 3.04Å; Q469-L471 VanDerWaalsContact C-N 3.25Å; Q469-L471 PolarHBondContact O-N 3.26Å; L471-D473 VanDerWaalsContact C-N 3.32Å; L471-G474 PolarHBondContact O-N 2.94Å
472K96.4Very high97.2Very high159 Ų15942.8 Ų42.869%0.69122%0.224SC*.Hα-helixtrans-66.7-36.9175.9-71.2173.3-174.1173.50111.8E468 Q469 G474E468-K472 WeakPolarHBondContact O-CG 3.34Å; E468-K472 PolarHBondContact O-N 3.5Å; Q469-K472 WeakPolarHBondContact O-CB 3.36Å; Q469-K472 PolarHBondContact O-N 3.36Å; K472-G474 VanDerWaalsContact C-N 3.26Å; K472-G474 PolarHBondContact O-N 3.06Å
473D96.2Very high97.1Very high98 Ų9845.2 Ų45.252%0.52424%0.241SC..THydrogen-bonded Turntrans-83.3-3.9-178.4-61.1-23.9000112.4Q469 E470 L471 V475Q469-D473 WeakPolarHBondContact CG-OD2 3.41Å; Q469-D473 VanDerWaalsContact NE2-CG 3.28Å; Q469-D473 PolarHBondContact NE2-OD1 3.28Å; Q469-D473 PolarHBondContact NE2-OD2 3.33Å; Q469-D473 VanDerWaalsContact O-CG 3.31Å; Q469-D473 PolarHBondContact O-N 2.99Å; E470-D473 CarbonylContact O-C 3.54Å; E470-D473 PolarHBondContact O-N 2.98Å; L471-D473 VanDerWaalsContact C-N 3.32Å; D473-V475 VanDerWaalsContact C-N 3.27Å; D473-V475 HydrophobicContact CB-CG2 4Å; D473-V475 PolarHBondContact O-N 3.46Å
474G96.4Very high97Very high39 Ų3953.1 Ų53.140%0.40227%0.271SS..THydrogen-bonded Turntrans68.823.718000000113.8E470 L471 K472 R491E470-G474 PolarHBondContact O-N 3.08Å; L471-G474 PolarHBondContact O-N 2.94Å; K472-G474 VanDerWaalsContact C-N 3.26Å; K472-G474 PolarHBondContact O-N 3.06Å; G474-R491 PolarHBondContact O-N 3.45Å
475V98Very high96.9Very high27 Ų2759.3 Ų59.316%0.16430%0.3CS..EExtended strand (participates in β ladder)trans-117.4161.2-177.1-59.90000111.5E470 D473 V489E470-V475 CarbonylContact C-O 3.52Å; E470-V475 HydrophobicContact CB-CG2 4.02Å; E470-V475 WeakPolarHBondContact CB-O 3.43Å; E470-V475 HydrophobicContact CG-CG2 4.17Å; E470-V475 PolarHBondContact O-N 3.42Å; D473-V475 VanDerWaalsContact C-N 3.27Å; D473-V475 HydrophobicContact CB-CG2 4Å; D473-V475 PolarHBondContact O-N 3.46Å; V475-V489 CarbonylContact C-O 3.59Å; V475-V489 WeakPolarHBondContact CA-O 3.43Å
476I98.4Very high96.8Very high2 Ų262.7 Ų62.71%0.0132%0.316CS..EExtended strand (participates in β ladder)trans-126.5135.2171.2-62.6-64.2000107.6L427 A464 I466 L478 V489 L494L427-I476 HydrophobicContact CD2-CD1 3.87Å; L427-I476 HydrophobicContact CD2-CG1 4.26Å; L427-I476 HydrophobicContact CD2-CG2 4.42Å; A464-I476 HydrophobicContact CB-CG2 3.86Å; I466-I476 HydrophobicContact CG1-CD1 4.07Å; I476-L478 PolarHBondContact O-N 3.45Å; I476-V489 PolarHBondContact N-O 3.23Å; I476-V489 PolarHBondContact O-N 3.18Å; I476-L494 HydrophobicContact CB-CD1 4.36Å; I476-L494 HydrophobicContact CB-CD2 4.26Å; I476-L494 HydrophobicContact CG1-CD2 4.12Å; I476-L494 HydrophobicContact CG2-CD1 4.16Å; I476-L494 HydrophobicContact CG2-CD2 4.13Å
477K98.4Very high96.8Very high51 Ų5165.8 Ų65.822%0.22233%0.334CS..EExtended strand (participates in β ladder)trans-86.3107.3177.2-169.3174.4-64.5156.30109.1I465 E470 E486I465-K477 HydrophobicContact CB-CB 4.26Å; I465-K477 PolarHBondContact N-O 3.13Å; I465-K477 PolarHBondContact O-N 3.33Å; E470-K477 WeakPolarHBondContact OE1-CE 3.43Å; E470-K477 IonicContact OE1-NZ 2.87Å; E470-K477 PolarHBondContact OE1-NZ 3.43Å; K477-E486 HydrophobicContact CD-CB 4.32Å; K477-E486 WeakPolarHBondContact CD-OE2 3.39Å; K477-E486 HydrophobicContact CG-CB 4.13Å
478L98.5Very high96.8Very high0 Ų070.4 Ų70.40%036%0.358CS..EExtended strand (participates in β ladder)trans-93.4114.1-179.6-170.464.3000109.5V411 L462 A464 I476 V487 V489 L494 E497 I498V411-L478 HydrophobicContact CG2-CD1 4.36Å; L462-L478 HydrophobicContact CB-CD1 4.14Å; A464-L478 HydrophobicContact CB-CD1 4.42Å; I476-L478 PolarHBondContact O-N 3.45Å; L478-V487 PolarHBondContact N-O 3.29Å; L478-V487 PolarHBondContact O-N 2.96Å; L478-V489 HydrophobicContact CB-CG2 3.84Å; L478-V489 HydrophobicContact CD2-CG2 4.2Å; L478-L494 HydrophobicContact CD1-CD1 4.32Å; L478-E497 HydrophobicContact CD2-CG 3.81Å; L478-I498 HydrophobicContact CD1-CG1 4.45Å
479R98.4Very high96.9Very high57 Ų5765.9 Ų65.922%0.21534%0.338CS..EExtended strand (participates in β ladder)trans-103.8132.8179-171171.6-149.6165.87111.3L462 V463 I465 R484 E485 E486L462-R479 CarbonylContact C-O 3.55Å; L462-R479 WeakPolarHBondContact CA-O 3.5Å; V463-R479 HydrophobicContact CB-CB 4.43Å; V463-R479 PolarHBondContact N-O 3.4Å; V463-R479 PolarHBondContact O-N 3.43Å; I465-R479 HydrophobicContact CD1-CB 4.06Å; R479-R484 PolarHBondContact NE-O 2.95Å; R479-R484 PolarHBondContact NH2-O 3.43Å; R479-E485 WeakPolarHBondContact CA-O 3.17Å; R479-E486 HydrophobicContact CB-CG 3.84Å; R479-E486 WeakPolarHBondContact CD-OE1 3.43Å; R479-E486 HydrophobicContact CG-CG 3.59Å; R479-E486 IonicContact CZ-OE1 3.86Å; R479-E486 IonicContact NE-OE1 2.68Å; R479-E486 PolarHBondContact NE-OE1 2.89Å; R479-E486 VanDerWaalsContact NE-OE1 3.08Å; R479-E486 IonicContact NH1-OE1 3.54Å; R479-E486 PolarHBondContact NH1-OE1 3.4Å; R479-E486 IonicContact NH2-OE1 3.71Å
480S98.1Very high97Very high15 Ų1567.4 Ų67.411%0.10534%0.34CS..EExtended strand (participates in β ladder)trans-78128.1164.6173.10000110T482 S483 R484 E485S480-T482 PolarHBondContact OG-OG1 2.95Å; S480-S483 WeakPolarHBondContact CB-OG 3.41Å; S480-S483 PolarHBondContact OG-N 2.95Å; S480-S483 PolarHBondContact OG-OG 3.4Å; S480-R484 WeakPolarHBondContact O-CA 3.39Å; S480-R484 PolarHBondContact O-N 3.15Å; S480-E485 PolarHBondContact N-O 2.92Å
481V96.6Very high97Very high14 Ų1468.7 Ų68.79%0.08534%0.343CS..THydrogen-bonded Turntrans-71.6-39.5-178.4176.50000111C455 E456 I460 P461 V463C455-V481 HydrophobicContact CB-CG1 4.04Å; C455-V481 HydrophobicContact CB-CG2 3.71Å; E456-V481 HydrophobicContact CG-CG1 3.74Å; I460-V481 WeakPolarHBondContact O-CB 3.33Å; I460-V481 VanDerWaalsContact O-CG2 3.29Å; I460-V481 WeakPolarHBondContact O-CG2 3.48Å; P461-V481 PolarHBondContact O-N 3.2Å; V463-V481 HydrophobicContact CG2-CG2 3.59Å
482T93.3Very high97.1Very high124 Ų12473 Ų7376%0.76136%0.362SS*.THydrogen-bonded Turntrans-77.5-51.9-177.951.70000112.2S480 R484S480-T482 PolarHBondContact OG-OG1 2.95Å; T482-R484 VanDerWaalsContact C-N 3.35Å
483S95.9Very high97.2Very high58 Ų5868.5 Ų68.541%0.40635%0.345SS..THydrogen-bonded Turntrans-80.6-15.8-179.3710000113.5S480 E485S480-S483 WeakPolarHBondContact CB-OG 3.41Å; S480-S483 PolarHBondContact OG-N 2.95Å; S480-S483 PolarHBondContact OG-OG 3.4Å; S483-E485 PolarHBondContact O-N 3.08Å; S483-E485 VanDerWaalsContact O-N 3.1Å
484R96.1Very high97.2Very high165 Ų16564 Ų6462%0.62332%0.321SS*.  trans65.6-0.3-177.1-55-178.4170.3-175.5-3.7115.6R479 S480 T482R479-R484 PolarHBondContact NE-O 2.95Å; R479-R484 PolarHBondContact NH2-O 3.43Å; S480-R484 WeakPolarHBondContact O-CA 3.39Å; S480-R484 PolarHBondContact O-N 3.15Å; T482-R484 VanDerWaalsContact C-N 3.35Å
485E96.6Very high97.3Very high130 Ų13063.6 Ų63.661%0.60731%0.311SS*.  trans-67.6142.1177.4-65.4174.5165.900111.6R479 S480 S483R479-E485 WeakPolarHBondContact CA-O 3.17Å; S480-E485 PolarHBondContact N-O 2.92Å; S483-E485 PolarHBondContact O-N 3.08Å; S483-E485 VanDerWaalsContact O-N 3.1Å
486E97Very high97.3Very high84 Ų8466.1 Ų66.139%0.39332%0.321SS..EExtended strand (participates in β ladder)trans-120.6134.5-179.2-66.9-177.7167.600109.6K477 R479K477-E486 HydrophobicContact CD-CB 4.32Å; K477-E486 WeakPolarHBondContact CD-OE2 3.39Å; K477-E486 HydrophobicContact CG-CB 4.13Å; R479-E486 HydrophobicContact CB-CG 3.84Å; R479-E486 WeakPolarHBondContact CD-OE1 3.43Å; R479-E486 HydrophobicContact CG-CG 3.59Å; R479-E486 IonicContact CZ-OE1 3.86Å; R479-E486 IonicContact NE-OE1 2.68Å; R479-E486 PolarHBondContact NE-OE1 2.89Å; R479-E486 VanDerWaalsContact NE-OE1 3.08Å; R479-E486 IonicContact NH1-OE1 3.54Å; R479-E486 PolarHBondContact NH1-OE1 3.4Å; R479-E486 IonicContact NH2-OE1 3.71Å
487V97.6Very high97.2Very high68 Ų6867.7 Ų67.741%0.41233%0.328SS..EExtended strand (participates in β ladder)trans-132.1138.3175.4-177.20000108.8L478L478-V487 PolarHBondContact N-O 3.29Å; L478-V487 PolarHBondContact O-N 2.96Å
488N98Very high97.2Very high101 Ų10165.2 Ų65.254%0.5432%0.318SS..EExtended strand (participates in β ladder)trans-79.9125.5170.7-70.3-19.7000109.2
489V98.1Very high97Very high12 Ų1266.9 Ų66.97%0.07333%0.325CS..EExtended strand (participates in β ladder)trans-118.7133.2179.1-173.60000107.5V475 I476 L478 D493 L494 E497V475-V489 CarbonylContact C-O 3.59Å; V475-V489 WeakPolarHBondContact CA-O 3.43Å; I476-V489 PolarHBondContact N-O 3.23Å; I476-V489 PolarHBondContact O-N 3.18Å; L478-V489 HydrophobicContact CB-CG2 3.84Å; L478-V489 HydrophobicContact CD2-CG2 4.2Å; V489-D493 HydrophobicContact CG1-CB 4.06Å; V489-L494 HydrophobicContact CB-CD1 4.46Å; V489-L494 HydrophobicContact CG1-CD1 4.47Å; V489-E497 HydrophobicContact CG1-CB 4.01Å; V489-E497 HydrophobicContact CG1-CG 4.23Å; V489-E497 HydrophobicContact CG2-CG 4.05Å
490R98.1Very high96.9Very high130 Ų13071.8 Ų71.849%0.49134%0.343SS..EExtended strand (participates in β ladder)trans-62.3141.4174-59.4-174-62.2148.712.5108.7E492 D493 L494R490-E492 HydrophobicContact CB-CG 4.06Å; R490-E492 IonicContact CZ-OE1 2.64Å; R490-E492 IonicContact NE-OE1 3.87Å; R490-E492 IonicContact NH1-OE1 2.88Å; R490-E492 PolarHBondContact NH1-OE1 3.17Å; R490-E492 IonicContact NH2-OE1 3.72Å; R490-E492 PolarHBondContact NH2-OE1 3.39Å; R490-E492 PolarHBondContact O-N 3.49Å; R490-E492 VanDerWaalsContact O-N 3.14Å; R490-D493 IonicContact CZ-OD2 2.68Å; R490-D493 IonicContact NE-OD2 3.67Å; R490-D493 PolarHBondContact NE-OD2 3.5Å; R490-D493 IonicContact NH2-OD1 3.68Å; R490-D493 PolarHBondContact NH2-OD1 3.06Å; R490-D493 IonicContact NH2-OD2 3.67Å; R490-D493 PolarHBondContact NH2-OD2 3.19Å; R490-D493 PolarHBondContact O-N 3.1Å; R490-L494 PolarHBondContact O-N 2.89Å
491R96.4Very high96.8Very high60 Ų6074.8 Ų74.823%0.22635%0.352CS..G310 helixtrans-56.4-35.6-174.9-172.8175.8-177.9150.40.8112.5E430 G474 D493 L494E430-R491 IonicContact OE1-CZ 3.17Å; E430-R491 IonicContact OE1-NE 2.68Å; E430-R491 IonicContact OE1-NH2 2.76Å; E430-R491 PolarHBondContact OE1-NH2 3.43Å; E430-R491 IonicContact OE2-CZ 3.92Å; E430-R491 IonicContact OE2-NE 3.3Å; E430-R491 PolarHBondContact OE2-NE 3.42Å; E430-R491 IonicContact OE2-NH2 2.78Å; E430-R491 PolarHBondContact OE2-NH2 3.13Å; G474-R491 PolarHBondContact O-N 3.45Å; R491-D493 VanDerWaalsContact C-N 3.33Å; R491-D493 PolarHBondContact O-N 3.06Å; R491-L494 WeakPolarHBondContact O-CB 3.38Å; R491-L494 PolarHBondContact O-N 2.86Å
492E96.4Very high96.6Very high140 Ų14076.3 Ų76.365%0.65436%0.361SS*.G310 helixtrans-64.5-30.8175.959.3-173.9-148.200114.1R490R490-E492 HydrophobicContact CB-CG 4.06Å; R490-E492 IonicContact CZ-OE1 2.64Å; R490-E492 IonicContact NE-OE1 3.87Å; R490-E492 IonicContact NH1-OE1 2.88Å; R490-E492 PolarHBondContact NH1-OE1 3.17Å; R490-E492 IonicContact NH2-OE1 3.72Å; R490-E492 PolarHBondContact NH2-OE1 3.39Å; R490-E492 PolarHBondContact O-N 3.49Å; R490-E492 VanDerWaalsContact O-N 3.14Å
493D97.8Very high95.8Very high63 Ų6373.4 Ų73.434%0.33736%0.357SS..G310 helixtrans-91.6-7.7-178.4-58.2-38.3000112.4V489 R490 R491 V495 E496 E497V489-D493 HydrophobicContact CG1-CB 4.06Å; R490-D493 IonicContact CZ-OD2 2.68Å; R490-D493 IonicContact NE-OD2 3.67Å; R490-D493 PolarHBondContact NE-OD2 3.5Å; R490-D493 IonicContact NH2-OD1 3.68Å; R490-D493 PolarHBondContact NH2-OD1 3.06Å; R490-D493 IonicContact NH2-OD2 3.67Å; R490-D493 PolarHBondContact NH2-OD2 3.19Å; R490-D493 PolarHBondContact O-N 3.1Å; R491-D493 VanDerWaalsContact C-N 3.33Å; R491-D493 PolarHBondContact O-N 3.06Å; D493-V495 PolarHBondContact O-N 3.28Å; D493-E496 PolarHBondContact O-N 3Å; D493-E497 WeakPolarHBondContact O-CB 3.31Å; D493-E497 PolarHBondContact O-N 3.35Å
494L97.9Very high93.9Very high3 Ų373.9 Ų73.92%0.01635%0.352CS..Hα-helixtrans-60.7-42.1-169.1-178.666.6000112.8L427 L431 I476 L478 V489 R490 R491 E497 I498L427-L494 HydrophobicContact CD1-CD2 3.82Å; L427-L494 HydrophobicContact CD2-CD2 4.25Å; L427-L494 HydrophobicContact CG-CD2 4.46Å; L431-L494 HydrophobicContact CD2-CD2 4.18Å; L431-L494 HydrophobicContact CD2-CG 4.46Å; I476-L494 HydrophobicContact CB-CD1 4.36Å; I476-L494 HydrophobicContact CB-CD2 4.26Å; I476-L494 HydrophobicContact CG1-CD2 4.12Å; I476-L494 HydrophobicContact CG2-CD1 4.16Å; I476-L494 HydrophobicContact CG2-CD2 4.13Å; L478-L494 HydrophobicContact CD1-CD1 4.32Å; V489-L494 HydrophobicContact CB-CD1 4.46Å; V489-L494 HydrophobicContact CG1-CD1 4.47Å; R490-L494 PolarHBondContact O-N 2.89Å; R491-L494 WeakPolarHBondContact O-CB 3.38Å; R491-L494 PolarHBondContact O-N 2.86Å; L494-E497 PolarHBondContact O-N 3.4Å; L494-I498 HydrophobicContact CD1-CD1 4.03Å; L494-I498 HydrophobicContact CD1-CG1 4.34Å; L494-I498 HydrophobicContact CD2-CD1 4.47Å; L494-I498 HydrophobicContact CG-CD1 3.82Å; L494-I498 WeakPolarHBondContact O-CD1 3.34Å; L494-I498 VanDerWaalsContact O-CG1 3.27Å; L494-I498 WeakPolarHBondContact O-CG1 3.42Å; L494-I498 PolarHBondContact O-N 2.94Å
495V97.7Very high91.2Very high32 Ų3271.2 Ų71.219%0.19436%0.357CS..Hα-helixtrans-60.1-50.8-179.8170.80000110.4L431 A434 I436 D493 E497 I498 K499L431-V495 HydrophobicContact CD2-CG2 4.2Å; A434-V495 HydrophobicContact CB-CB 4.43Å; A434-V495 HydrophobicContact CB-CG1 3.81Å; A434-V495 HydrophobicContact CB-CG2 3.69Å; I436-V495 HydrophobicContact CD1-CG1 4.45Å; I436-V495 HydrophobicContact CG1-CG1 4.26Å; D493-V495 PolarHBondContact O-N 3.28Å; V495-E497 VanDerWaalsContact C-N 3.35Å; V495-E497 PolarHBondContact O-N 3.11Å; V495-I498 PolarHBondContact O-N 2.94Å; V495-K499 HydrophobicContact CG1-CD 4.46Å; V495-K499 WeakPolarHBondContact O-CG 3.31Å; V495-K499 PolarHBondContact O-N 2.97Å
496E97.1Very high88.4Confident79 Ų7970.9 Ų70.937%0.36936%0.358SS..Hα-helixtrans-67.9-36.4-177.8-65.3-50.9129.400111.9D493 I498 K499 R500 L506D493-E496 PolarHBondContact O-N 3Å; E496-I498 PolarHBondContact O-N 3.4Å; E496-K499 PolarHBondContact O-N 2.92Å; E496-K499 IonicContact OE1-NZ 2.91Å; E496-K499 PolarHBondContact OE1-NZ 3.19Å; E496-R500 VanDerWaalsContact O-CB 3.31Å; E496-R500 WeakPolarHBondContact O-CB 3.46Å; E496-R500 PolarHBondContact O-N 2.7Å; E496-L506 WeakPolarHBondContact OE2-CD2 3.44Å
497E97.8Very high85.2Confident35 Ų3572.1 Ų72.116%0.16438%0.375CS..Hα-helixtrans-66.2-36.6175.3-176.161.1-172.800112.4L478 V489 D493 L494 V495 R500 R501L478-E497 HydrophobicContact CD2-CG 3.81Å; V489-E497 HydrophobicContact CG1-CB 4.01Å; V489-E497 HydrophobicContact CG1-CG 4.23Å; V489-E497 HydrophobicContact CG2-CG 4.05Å; D493-E497 WeakPolarHBondContact O-CB 3.31Å; D493-E497 PolarHBondContact O-N 3.35Å; L494-E497 PolarHBondContact O-N 3.4Å; V495-E497 VanDerWaalsContact C-N 3.35Å; V495-E497 PolarHBondContact O-N 3.11Å; E497-R500 IonicContact OE1-CZ 2.78Å; E497-R500 IonicContact OE1-NE 2.9Å; E497-R500 IonicContact OE1-NH2 2.93Å; E497-R500 PolarHBondContact OE1-NH2 3.18Å; E497-R500 IonicContact OE2-CZ 3.8Å; E497-R500 IonicContact OE2-NE 3.82Å; E497-R500 PolarHBondContact OE2-NE 3.01Å; E497-R500 IonicContact OE2-NH2 2.86Å; E497-R500 PolarHBondContact OE2-NH2 3.36Å; E497-R501 WeakPolarHBondContact O-CG 3.48Å; E497-R501 PolarHBondContact O-N 3.31Å; E497-R501 VanDerWaalsContact O-N 3.1Å; E497-R501 IonicContact OE1-CZ 2.71Å; E497-R501 IonicContact OE1-NE 3.39Å; E497-R501 PolarHBondContact OE1-NE 3.45Å; E497-R501 IonicContact OE1-NH2 3.78Å; E497-R501 PolarHBondContact OE1-NH2 3.47Å
498I97.3Very high82Confident0 Ų076.6 Ų76.60%040%0.395CS..Hα-helixtrans-66.3-46173.4-67.7160.6000110.6Q410 V411 L431 I436 L462 L478 L494 V495 E496 R500 R501 T502Q410-I498 HydrophobicContact CB-CG2 4.17Å; V411-I498 HydrophobicContact CB-CD1 4.36Å; V411-I498 HydrophobicContact CG1-CD1 3.96Å; V411-I498 HydrophobicContact CG2-CD1 4.41Å; L431-I498 HydrophobicContact CD1-CD1 4.46Å; L431-I498 HydrophobicContact CD2-CD1 3.7Å; I436-I498 HydrophobicContact CD1-CB 4.45Å; I436-I498 HydrophobicContact CD1-CG2 4.09Å; I436-I498 HydrophobicContact CG2-CD1 4.46Å; I436-I498 HydrophobicContact CG2-CG2 3.85Å; L462-I498 HydrophobicContact CD1-CG1 4.33Å; L462-I498 HydrophobicContact CD1-CG2 4.22Å; L478-I498 HydrophobicContact CD1-CG1 4.45Å; L494-I498 HydrophobicContact CD1-CD1 4.03Å; L494-I498 HydrophobicContact CD1-CG1 4.34Å; L494-I498 HydrophobicContact CD2-CD1 4.47Å; L494-I498 HydrophobicContact CG-CD1 3.82Å; L494-I498 WeakPolarHBondContact O-CD1 3.34Å; L494-I498 VanDerWaalsContact O-CG1 3.27Å; L494-I498 WeakPolarHBondContact O-CG1 3.42Å; L494-I498 PolarHBondContact O-N 2.94Å; V495-I498 PolarHBondContact O-N 2.94Å; E496-I498 PolarHBondContact O-N 3.4Å; I498-R500 VanDerWaalsContact C-N 3.34Å; I498-R500 PolarHBondContact O-N 3.42Å; I498-R501 PolarHBondContact O-N 3.07Å; I498-T502 WeakPolarHBondContact O-CB 3.26Å; I498-T502 PolarHBondContact O-N 3.46Å; I498-T502 PolarHBondContact O-OG1 2.72Å
499K95.8Very high78.8Confident34 Ų3480.9 Ų80.915%0.14843%0.431CS..Hα-helixtrans-57.5-47.8176.4-69.3178-173.51620111.1I436 V495 E496 R501 T502 G503 Q504I436-K499 HydrophobicContact CD1-CG 3.71Å; V495-K499 HydrophobicContact CG1-CD 4.46Å; V495-K499 WeakPolarHBondContact O-CG 3.31Å; V495-K499 PolarHBondContact O-N 2.97Å; E496-K499 PolarHBondContact O-N 2.92Å; E496-K499 IonicContact OE1-NZ 2.91Å; E496-K499 PolarHBondContact OE1-NZ 3.19Å; K499-R501 VanDerWaalsContact C-N 3.33Å; K499-R501 PolarHBondContact O-N 3.25Å; K499-T502 PolarHBondContact O-N 3.37Å; K499-G503 PolarHBondContact O-N 3.25Å; K499-Q504 PolarHBondContact O-N 3.19Å
500R95.9Very high77.8Confident161 Ų16184.4 Ų84.461%0.60845%0.449SS*.Hα-helixtrans-57.1-43.4178.7-168.7-169.37077-1.4112.3E496 E497 I498E496-R500 VanDerWaalsContact O-CB 3.31Å; E496-R500 WeakPolarHBondContact O-CB 3.46Å; E496-R500 PolarHBondContact O-N 2.7Å; E497-R500 IonicContact OE1-CZ 2.78Å; E497-R500 IonicContact OE1-NE 2.9Å; E497-R500 IonicContact OE1-NH2 2.93Å; E497-R500 PolarHBondContact OE1-NH2 3.18Å; E497-R500 IonicContact OE2-CZ 3.8Å; E497-R500 IonicContact OE2-NE 3.82Å; E497-R500 PolarHBondContact OE2-NE 3.01Å; E497-R500 IonicContact OE2-NH2 2.86Å; E497-R500 PolarHBondContact OE2-NH2 3.36Å; I498-R500 VanDerWaalsContact C-N 3.34Å; I498-R500 PolarHBondContact O-N 3.42Å
501R94.7Very high76.8Confident78 Ų7881.9 Ų81.929%0.29445%0.446SS..Hα-helixtrans-78.6-19.1-178.8-70.8-173.5-169.5-146.82.1114.5L462 E497 I498 K499L462-R501 HydrophobicContact CD1-CB 4.03Å; E497-R501 WeakPolarHBondContact O-CG 3.48Å; E497-R501 PolarHBondContact O-N 3.31Å; E497-R501 VanDerWaalsContact O-N 3.1Å; E497-R501 IonicContact OE1-CZ 2.71Å; E497-R501 IonicContact OE1-NE 3.39Å; E497-R501 PolarHBondContact OE1-NE 3.45Å; E497-R501 IonicContact OE1-NH2 3.78Å; E497-R501 PolarHBondContact OE1-NH2 3.47Å; I498-R501 PolarHBondContact O-N 3.07Å; K499-R501 VanDerWaalsContact C-N 3.33Å; K499-R501 PolarHBondContact O-N 3.25Å
502T92.1Very high75.7Confident45 Ų4583.2 Ų83.228%0.27646%0.459SS..Hα-helixtrans-111.42.7-175.957.60000114.1Q410 P461 L462 I498 K499Q410-T502 HydrophobicContact CB-CG2 4.09Å; Q410-T502 HydrophobicContact CG-CG2 4.18Å; Q410-T502 PolarHBondContact NE2-OG1 2.71Å; P461-T502 HydrophobicContact CG-CG2 4.06Å; L462-T502 HydrophobicContact CD1-CG2 3.88Å; I498-T502 WeakPolarHBondContact O-CB 3.26Å; I498-T502 PolarHBondContact O-N 3.46Å; I498-T502 PolarHBondContact O-OG1 2.72Å; K499-T502 PolarHBondContact O-N 3.37Å
503G77.1Confident74.5Confident64 Ų6479.8 Ų79.866%0.6645%0.447SS*.THydrogen-bonded Turntrans77.921167.400000115.2K499K499-G503 PolarHBondContact O-N 3.25Å
504Q57.2Low73Confident68 Ų6880.9 Ų80.932%0.31845%0.454SS..  trans-72.9130.6164.6-89.4-177.5-26.300108.9K499 L506K499-Q504 PolarHBondContact O-N 3.19Å; Q504-L506 PolarHBondContact O-N 3.41Å
505P39.1Very low71.3Confident109 Ų10986.1 Ų86.171%0.70848%0.483SS*.  trans-57.8133.1168.923-29000108.4C507P505-C507 PolarHBondContact O-N 3.18Å
506L37Very low69.5Low122 Ų12289.9 Ų89.964%0.63950%0.504SS*.  trans-51111167.4-82.9147.7000107.2E496 Q504 I508E496-L506 WeakPolarHBondContact OE2-CD2 3.44Å; Q504-L506 PolarHBondContact O-N 3.41Å; L506-I508 VanDerWaalsContact C-N 3.35Å; L506-I508 PolarHBondContact O-N 3.32Å
507C30.2Very low67.3Low111 Ų11190.8 Ų90.875%0.7551%0.514SS*.  trans-58.6103.2168.9-70.40000107P505 C509P505-C507 PolarHBondContact O-N 3.18Å; C507-C509 PolarHBondContact O-N 3.31Å
508I30.6Very low64.8Low162 Ų16295.4 Ų95.483%0.83154%0.543SS*.  trans-78.2115.6163.9-55.6176.7000104.6L506L506-I508 VanDerWaalsContact C-N 3.35Å; L506-I508 PolarHBondContact O-N 3.32Å
509C30.6Very low61.8Low191 Ų191104.1 Ų104.1100%1.29159%0.593SS**  trans-52.10179.1-56.30000113.5C507C507-C509 PolarHBondContact O-N 3.31Å

Retrieved 509 of 509 residues in 107.3 ms (Link to these results)

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