A0A077ZJA9_TRITR Loading...

Arabinose 5-phosphate isomerase GutQ

AlphaFold DB , UniProt , Accession A0A077ZJA9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 308 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
1M84.2Confident93.9Very high150 Ų15065.6 Ų65.674%0.73935%0.348SS*.  0123.60-165.8162.173.500106.9E3 L4M1-E3 HydrophobicContact CG-CB 4.27Å; M1-E3 WeakPolarHBondContact CG-OE2 3.27Å; M1-E3 PolarHBondContact O-N 3.06Å; M1-L4 HydrophobicContact CB-CD1 4.05Å; M1-L4 HydrophobicContact CB-CG 4.24Å; M1-L4 HydrophobicContact CE-CD1 3.99Å; M1-L4 HydrophobicContact CE-CD2 4.33Å; M1-L4 HydrophobicContact CE-CG 3.71Å; M1-L4 PolarHBondContact O-N 3.3Å
2L92.3Very high94Very high58 Ų5874.7 Ų74.730%0.30439%0.387SS..Hα-helixtrans-62.3-35-173.8-81.6164.6000111.1L4 Q5 E6 A133L2-L4 VanDerWaalsContact C-N 3.3Å; L2-L4 PolarHBondContact O-N 3.04Å; L2-Q5 WeakPolarHBondContact O-CB 3.37Å; L2-Q5 PolarHBondContact O-N 3.02Å; L2-E6 PolarHBondContact O-N 3.4Å; L2-A133 HydrophobicContact CB-CB 4.31Å; L2-A133 HydrophobicContact CD1-CB 4.45Å
3E94.6Very high93.9Very high40 Ų4073.1 Ų73.119%0.18737%0.373CS..Hα-helixtrans-57.8-39.4177-58.690.7141.900112.2M1 Q5 E6 A7 A133 V145M1-E3 HydrophobicContact CG-CB 4.27Å; M1-E3 WeakPolarHBondContact CG-OE2 3.27Å; M1-E3 PolarHBondContact O-N 3.06Å; E3-Q5 VanDerWaalsContact C-N 3.33Å; E3-Q5 PolarHBondContact O-N 2.97Å; E3-E6 PolarHBondContact O-N 3.38Å; E3-A7 WeakPolarHBondContact O-CB 3.39Å; E3-A7 PolarHBondContact O-N 3.18Å; E3-A133 HydrophobicContact CG-CB 4.36Å; E3-A133 WeakPolarHBondContact OE1-CB 3.48Å; E3-V145 HydrophobicContact CB-CG2 4.26Å; E3-V145 HydrophobicContact CG-CG2 4.33Å
4L95.6Very high94Very high113 Ų11372.9 Ų72.959%0.59237%0.372SS*.Hα-helixtrans-67.2-35.1175.7-73.5171.3000112.1M1 L2 S8M1-L4 HydrophobicContact CB-CD1 4.05Å; M1-L4 HydrophobicContact CB-CG 4.24Å; M1-L4 HydrophobicContact CE-CD1 3.99Å; M1-L4 HydrophobicContact CE-CD2 4.33Å; M1-L4 HydrophobicContact CE-CG 3.71Å; M1-L4 PolarHBondContact O-N 3.3Å; L2-L4 VanDerWaalsContact C-N 3.3Å; L2-L4 PolarHBondContact O-N 3.04Å; L4-S8 PolarHBondContact O-N 3.18Å
5Q95.3Very high94.1Very high107 Ų10770.4 Ų70.450%0.537%0.372SS..Hα-helixtrans-69.3-45.9177.9-64.3177.1-18.800110.2L2 E3 A7 S8L2-Q5 WeakPolarHBondContact O-CB 3.37Å; L2-Q5 PolarHBondContact O-N 3.02Å; E3-Q5 VanDerWaalsContact C-N 3.33Å; E3-Q5 PolarHBondContact O-N 2.97Å; Q5-A7 PolarHBondContact O-N 2.97Å; Q5-S8 PolarHBondContact O-N 2.83Å; Q5-S8 PolarHBondContact O-OG 3.36Å
6E95.1Very high94.3Very high1 Ų174.2 Ų74.21%0.00539%0.392CS..Hα-helixtrans-63.5-40.8175.2-65.5-59.3152.500112.2L2 E3 S8 R9 V129 E130 R131L2-E6 PolarHBondContact O-N 3.4Å; E3-E6 PolarHBondContact O-N 3.38Å; E6-S8 VanDerWaalsContact C-N 3.28Å; E6-S8 PolarHBondContact O-N 3.33Å; E6-R9 VanDerWaalsContact CD-NH1 3.27Å; E6-R9 PolarHBondContact O-N 3.06Å; E6-R9 IonicContact OE1-NH1 2.75Å; E6-R9 PolarHBondContact OE1-NH1 3.36Å; E6-R9 IonicContact OE2-NH1 3.08Å; E6-R9 PolarHBondContact OE2-NH1 3.42Å; E6-V129 HydrophobicContact CB-CB 4.39Å; E6-V129 HydrophobicContact CB-CG1 3.97Å; E6-V129 HydrophobicContact CG-CB 4.02Å; E6-V129 HydrophobicContact CG-CG1 4.13Å; E6-V129 WeakPolarHBondContact OE2-CA 3.3Å; E6-E130 WeakPolarHBondContact OE1-CB 3.39Å; E6-E130 PolarHBondContact OE1-N 2.87Å; E6-E130 PolarHBondContact OE2-N 3.48Å; E6-R131 PolarHBondContact OE1-N 3.18Å; E6-R131 VanDerWaalsContact OE1-N 3.15Å
7A95.6Very high94.5Very high9 Ų972.8 Ų72.87%0.07439%0.385CS..Hα-helixtrans-62.5-33.5176.300000113E3 Q5 R9 L10 N146 M149E3-A7 WeakPolarHBondContact O-CB 3.39Å; E3-A7 PolarHBondContact O-N 3.18Å; Q5-A7 PolarHBondContact O-N 2.97Å; A7-R9 PolarHBondContact O-N 3.29Å; A7-R9 VanDerWaalsContact O-N 3.15Å; A7-L10 VanDerWaalsContact O-CB 3.25Å; A7-L10 WeakPolarHBondContact O-CB 3.48Å; A7-L10 PolarHBondContact O-N 3.19Å; A7-N146 WeakPolarHBondContact CA-OD1 3.34Å; A7-M149 HydrophobicContact CB-CE 4.01Å; A7-M149 HydrophobicContact CB-SD 3.52Å; A7-M149 VanDerWaalsContact CB-SD 3.52Å
8S96.3Very high94.7Very high82 Ų8270.1 Ų70.157%0.57337%0.369SS*.Hα-helixtrans-63.5-19.2179.674.10000113.9L4 Q5 E6 P11L4-S8 PolarHBondContact O-N 3.18Å; Q5-S8 PolarHBondContact O-N 2.83Å; Q5-S8 PolarHBondContact O-OG 3.36Å; E6-S8 VanDerWaalsContact C-N 3.28Å; E6-S8 PolarHBondContact O-N 3.33Å; S8-P11 WeakPolarHBondContact O-CD 3.47Å
9R94.6Very high94.9Very high70 Ų7070.5 Ų70.526%0.26438%0.375SS..THydrogen-bonded Turntrans-87.6-16.1176.8-59.6174.6176.4154.5-12.9113.3E6 A7 P11 E12 E130E6-R9 VanDerWaalsContact CD-NH1 3.27Å; E6-R9 PolarHBondContact O-N 3.06Å; E6-R9 IonicContact OE1-NH1 2.75Å; E6-R9 PolarHBondContact OE1-NH1 3.36Å; E6-R9 IonicContact OE2-NH1 3.08Å; E6-R9 PolarHBondContact OE2-NH1 3.42Å; A7-R9 PolarHBondContact O-N 3.29Å; A7-R9 VanDerWaalsContact O-N 3.15Å; R9-P11 VanDerWaalsContact C-CD 3.43Å; R9-E12 PolarHBondContact O-N 2.63Å; R9-E130 IonicContact CZ-OE1 3.52Å; R9-E130 VanDerWaalsContact CZ-OE1 3.27Å; R9-E130 IonicContact CZ-OE2 3.32Å; R9-E130 IonicContact NH1-OE1 2.94Å; R9-E130 PolarHBondContact NH1-OE1 2.96Å; R9-E130 IonicContact NH1-OE2 3.97Å; R9-E130 PolarHBondContact NH1-OE2 2.95Å; R9-E130 IonicContact NH2-OE1 3.24Å; R9-E130 PolarHBondContact NH2-OE1 3.34Å; R9-E130 VanDerWaalsContact NH2-OE1 3.08Å; R9-E130 IonicContact NH2-OE2 2.92Å; R9-E130 PolarHBondContact NH2-OE2 2.96Å
10L94.5Very high95.1Very high7 Ų772.7 Ų72.74%0.03738%0.378CS..G310 helixtrans-60-38-175.6-160.567.3000113.8A7 E12 R13 N146 M149 M150A7-L10 VanDerWaalsContact O-CB 3.25Å; A7-L10 WeakPolarHBondContact O-CB 3.48Å; A7-L10 PolarHBondContact O-N 3.19Å; L10-E12 PolarHBondContact O-N 2.67Å; L10-R13 WeakPolarHBondContact O-CB 3.3Å; L10-R13 PolarHBondContact O-N 2.89Å; L10-N146 HydrophobicContact CD1-CB 4.18Å; L10-M149 HydrophobicContact CD2-CB 3.5Å; L10-M149 VanDerWaalsContact CD2-CB 3.5Å; L10-M150 HydrophobicContact CD1-CE 3.72Å; L10-M150 HydrophobicContact CD2-CB 4.42Å; L10-M150 HydrophobicContact CG-CE 4.11Å
11P95.3Very high95.3Very high85 Ų8569.2 Ų69.255%0.55236%0.36SS*.G310 helixtrans-56.6-34.5177.3-27.837000114.2S8 R9 R13 L14S8-P11 WeakPolarHBondContact O-CD 3.47Å; R9-P11 VanDerWaalsContact C-CD 3.43Å; P11-R13 PolarHBondContact O-N 3.03Å; P11-R13 VanDerWaalsContact O-N 3.16Å; P11-L14 WeakPolarHBondContact O-CB 3.33Å; P11-L14 PolarHBondContact O-N 3.16Å; P11-L14 VanDerWaalsContact O-N 3.13Å
12E94.5Very high96Very high174 Ų17462.6 Ų62.681%0.81333%0.329SS*.G310 helixtrans-66-16.4178.2-61.3178.6176.400112.6R9 L10R9-E12 PolarHBondContact O-N 2.63Å; L10-E12 PolarHBondContact O-N 2.67Å
13R93Very high96.3Very high54 Ų5463.3 Ų63.320%0.20433%0.333CS..G310 helixtrans-97.5-0.8179.1-55.3-177.6-173.7161.90.6113.4L10 P11 G15 D126 S128L10-R13 WeakPolarHBondContact O-CB 3.3Å; L10-R13 PolarHBondContact O-N 2.89Å; P11-R13 PolarHBondContact O-N 3.03Å; P11-R13 VanDerWaalsContact O-N 3.16Å; R13-G15 PolarHBondContact O-N 2.78Å; R13-D126 WeakPolarHBondContact CD-O 3.45Å; R13-D126 IonicContact NE-OD2 3.11Å; R13-D126 PolarHBondContact NH1-O 3.07Å; R13-D126 IonicContact NH1-OD1 2.68Å; R13-S128 PolarHBondContact NH1-O 3.11Å; R13-S128 PolarHBondContact NH1-OG 3.13Å; R13-S128 PolarHBondContact NH2-O 3Å; R13-S128 PolarHBondContact NH2-OG 2.88Å
14L94.4Very high96.5Very high71 Ų7163.1 Ų63.137%0.37233%0.333SS..  trans-80.456.6173.3-56.8179.8000110.6P11 F18 M150P11-L14 WeakPolarHBondContact O-CB 3.33Å; P11-L14 PolarHBondContact O-N 3.16Å; P11-L14 VanDerWaalsContact O-N 3.13Å; L14-F18 HydrophobicContact CB-CD1 4.43Å; L14-F18 HydrophobicContact CB-CG 4.34Å; L14-F18 HydrophobicContact CD2-CB 4.44Å; L14-F18 HydrophobicContact CD2-CD1 4.34Å; L14-F18 HydrophobicContact CD2-CD2 3.46Å; L14-F18 VanDerWaalsContact CD2-CD2 3.46Å; L14-F18 HydrophobicContact CD2-CE2 3.67Å; L14-F18 HydrophobicContact CD2-CG 3.82Å; L14-F18 HydrophobicContact CD2-CZ 4.21Å; L14-M150 HydrophobicContact CD2-CE 4Å; L14-M150 HydrophobicContact CD2-SD 3.86Å
15G95.5Very high96.6Very high35 Ų3557.7 Ų57.736%0.36131%0.305SS..SBendtrans-92.6-155.8-179.200000113.8R13 D17 F18 V19R13-G15 PolarHBondContact O-N 2.78Å; G15-D17 VanDerWaalsContact C-N 3.25Å; G15-D17 PolarHBondContact O-N 3.23Å; G15-F18 WeakPolarHBondContact O-CB 3.37Å; G15-F18 PolarHBondContact O-N 2.89Å; G15-V19 PolarHBondContact O-N 3.33Å
16D97.8Very high96.7Very high131 Ų13154.5 Ų54.570%0.70129%0.291SS*.Hα-helixtrans-56.6-37.1-176.7-69.3-13.6000113.4F18 V19 R20D16-F18 VanDerWaalsContact C-N 3.33Å; D16-F18 PolarHBondContact O-N 3.14Å; D16-V19 PolarHBondContact O-N 2.91Å; D16-R20 VanDerWaalsContact O-CB 3.29Å; D16-R20 WeakPolarHBondContact O-CB 3.11Å; D16-R20 PolarHBondContact O-N 3.47Å
17D98.1Very high96.9Very high51 Ų5161 Ų6127%0.27332%0.321SS..Hα-helixtrans-68.4-31.8178.1-92.716.3000113G15 R20 A21 A123 V124G15-D17 VanDerWaalsContact C-N 3.25Å; G15-D17 PolarHBondContact O-N 3.23Å; D17-R20 PolarHBondContact O-N 3.15Å; D17-R20 IonicContact OD1-CZ 2.74Å; D17-R20 VanDerWaalsContact OD1-CZ 3.32Å; D17-R20 IonicContact OD1-NE 2.89Å; D17-R20 PolarHBondContact OD1-NE 3.43Å; D17-R20 IonicContact OD1-NH2 2.62Å; D17-R20 PolarHBondContact OD1-NH2 2.98Å; D17-A21 VanDerWaalsContact O-CB 3.29Å; D17-A21 WeakPolarHBondContact O-CB 3.38Å; D17-A21 PolarHBondContact O-N 3.33Å; D17-A123 HydrophobicContact CB-CB 4.37Å; D17-V124 WeakPolarHBondContact CB-O 3.43Å; D17-V124 PolarHBondContact OD2-N 3.11Å
18F98.6Very high97Very high23 Ų2361.6 Ų61.610%0.10132%0.324CS..Hα-helixtrans-64.3-47.3171.6177.3-92.2000110.8L14 G15 D16 R20 A21 A22 L125 M150 A153 L154 A157L14-F18 HydrophobicContact CB-CD1 4.43Å; L14-F18 HydrophobicContact CB-CG 4.34Å; L14-F18 HydrophobicContact CD2-CB 4.44Å; L14-F18 HydrophobicContact CD2-CD1 4.34Å; L14-F18 HydrophobicContact CD2-CD2 3.46Å; L14-F18 VanDerWaalsContact CD2-CD2 3.46Å; L14-F18 HydrophobicContact CD2-CE2 3.67Å; L14-F18 HydrophobicContact CD2-CG 3.82Å; L14-F18 HydrophobicContact CD2-CZ 4.21Å; G15-F18 WeakPolarHBondContact O-CB 3.37Å; G15-F18 PolarHBondContact O-N 2.89Å; D16-F18 VanDerWaalsContact C-N 3.33Å; D16-F18 PolarHBondContact O-N 3.14Å; F18-R20 VanDerWaalsContact C-N 3.32Å; F18-R20 PolarHBondContact O-N 3.09Å; F18-A21 PolarHBondContact O-N 3.48Å; F18-A22 WeakPolarHBondContact O-CB 3.39Å; F18-A22 PolarHBondContact O-N 2.94Å; F18-L125 HydrophobicContact CB-CD2 4.17Å; F18-L125 HydrophobicContact CD2-CD2 3.94Å; F18-L125 HydrophobicContact CG-CD2 4.5Å; F18-M150 HydrophobicContact CD2-SD 3.74Å; F18-M150 HydrophobicContact CE2-SD 4.04Å; F18-A153 HydrophobicContact CE2-CB 4.02Å; F18-A153 HydrophobicContact CZ-CB 4.07Å; F18-L154 HydrophobicContact CE2-CB 4.1Å; F18-L154 HydrophobicContact CE2-CD1 4.26Å; F18-A157 HydrophobicContact CE1-CB 4Å; F18-A157 HydrophobicContact CZ-CB 3.96Å
19V98.4Very high97Very high78 Ų7865.8 Ų65.847%0.47334%0.335SS..Hα-helixtrans-62.6-41.1177177.40000111G15 D16 A22 N23G15-V19 PolarHBondContact O-N 3.33Å; D16-V19 PolarHBondContact O-N 2.91Å; V19-A22 PolarHBondContact O-N 2.67Å; V19-N23 WeakPolarHBondContact O-CB 3.46Å; V19-N23 PolarHBondContact O-N 2.88Å; V19-N23 PolarHBondContact O-ND2 3.29Å
20R98.6Very high97.2Very high114 Ų11463 Ų6343%0.4333%0.328SS..Hα-helixtrans-62.9-46.2176.9-160.8-166.9-36.8-84.8-4.5111.4D16 D17 F18 N23 I24 K122 A123D16-R20 VanDerWaalsContact O-CB 3.29Å; D16-R20 WeakPolarHBondContact O-CB 3.11Å; D16-R20 PolarHBondContact O-N 3.47Å; D17-R20 PolarHBondContact O-N 3.15Å; D17-R20 IonicContact OD1-CZ 2.74Å; D17-R20 VanDerWaalsContact OD1-CZ 3.32Å; D17-R20 IonicContact OD1-NE 2.89Å; D17-R20 PolarHBondContact OD1-NE 3.43Å; D17-R20 IonicContact OD1-NH2 2.62Å; D17-R20 PolarHBondContact OD1-NH2 2.98Å; F18-R20 VanDerWaalsContact C-N 3.32Å; F18-R20 PolarHBondContact O-N 3.09Å; R20-N23 PolarHBondContact O-N 3.38Å; R20-I24 HydrophobicContact CG-CD1 4.23Å; R20-I24 VanDerWaalsContact O-CG1 3.29Å; R20-I24 WeakPolarHBondContact O-CG1 3.48Å; R20-I24 PolarHBondContact O-N 3.25Å; R20-K122 WeakPolarHBondContact CD-O 3.48Å; R20-A123 HydrophobicContact CB-CB 4.12Å; R20-A123 HydrophobicContact CG-CB 4.34Å
21A98.8Very high97.4Very high0 Ų067.7 Ų67.70%035%0.348CS..Hα-helixtrans-60.7-46175.800000111.5D17 F18 N23 I24 I25 L107 A123 L125 L154D17-A21 VanDerWaalsContact O-CB 3.29Å; D17-A21 WeakPolarHBondContact O-CB 3.38Å; D17-A21 PolarHBondContact O-N 3.33Å; F18-A21 PolarHBondContact O-N 3.48Å; A21-N23 VanDerWaalsContact C-N 3.34Å; A21-N23 PolarHBondContact O-N 2.92Å; A21-I24 PolarHBondContact O-N 2.9Å; A21-I25 WeakPolarHBondContact O-CG1 3.47Å; A21-I25 PolarHBondContact O-N 3.1Å; A21-L107 HydrophobicContact CB-CD1 4.19Å; A21-L107 HydrophobicContact CB-CD2 4.09Å; A21-A123 HydrophobicContact CB-CB 4.06Å; A21-L125 HydrophobicContact CB-CD1 4.32Å; A21-L125 HydrophobicContact CB-CD2 3.87Å; A21-L125 HydrophobicContact CB-CG 4.25Å; A21-L154 HydrophobicContact CB-CD1 4.17Å
22A98.7Very high97.5Very high12 Ų1263.7 Ų63.710%0.09932%0.322CS..Hα-helixtrans-60-43.6176.500000111.6F18 V19 I25 L26 L154 V158F18-A22 WeakPolarHBondContact O-CB 3.39Å; F18-A22 PolarHBondContact O-N 2.94Å; V19-A22 PolarHBondContact O-N 2.67Å; A22-I25 PolarHBondContact O-N 3.17Å; A22-L26 VanDerWaalsContact O-CB 3.27Å; A22-L26 WeakPolarHBondContact O-CB 3.4Å; A22-L26 PolarHBondContact O-N 3.45Å; A22-L154 HydrophobicContact CB-CD1 3.95Å; A22-V158 HydrophobicContact CB-CG2 4.2Å
23N98.5Very high97.7Very high73 Ų7355.4 Ų55.439%0.3928%0.284SS..Hα-helixtrans-65.6-40.9176.8-80.5-39.9000113V19 R20 A21 I25 L26 H27V19-N23 WeakPolarHBondContact O-CB 3.46Å; V19-N23 PolarHBondContact O-N 2.88Å; V19-N23 PolarHBondContact O-ND2 3.29Å; R20-N23 PolarHBondContact O-N 3.38Å; A21-N23 VanDerWaalsContact C-N 3.34Å; A21-N23 PolarHBondContact O-N 2.92Å; N23-I25 VanDerWaalsContact C-N 3.31Å; N23-I25 PolarHBondContact O-N 2.93Å; N23-L26 PolarHBondContact O-N 3.45Å; N23-H27 PolarHBondContact O-N 3.01Å; N23-H27 PolarHBondContact O-ND1 3Å
24I98.7Very high98Very high35 Ų3552.8 Ų52.818%0.17927%0.274CS..Hα-helixtrans-60.8-43.4175.9-73.1165.4000110.2R20 A21 C28 V79 A105 L107 K122R20-I24 HydrophobicContact CG-CD1 4.23Å; R20-I24 VanDerWaalsContact O-CG1 3.29Å; R20-I24 WeakPolarHBondContact O-CG1 3.48Å; R20-I24 PolarHBondContact O-N 3.25Å; A21-I24 PolarHBondContact O-N 2.9Å; I24-C28 PolarHBondContact O-N 2.87Å; I24-V79 HydrophobicContact CG2-CG1 3.9Å; I24-V79 HydrophobicContact CG2-CG2 3.73Å; I24-A105 HydrophobicContact CG2-CB 3.97Å; I24-L107 HydrophobicContact CB-CD2 4.3Å; I24-L107 HydrophobicContact CD1-CD2 3.71Å; I24-L107 HydrophobicContact CG2-CD1 4.29Å; I24-L107 HydrophobicContact CG2-CD2 4.17Å; I24-L107 HydrophobicContact CG2-CG 4.42Å; I24-K122 HydrophobicContact CD1-CB 3.93Å; I24-K122 HydrophobicContact CD1-CD 4.5Å
25I98.7Very high98.1Very high0 Ų049.4 Ų49.40%026%0.256CS..Hα-helixtrans-68.1-42.2176.4-69.2172.8000111.4A21 A22 N23 H27 C28 V32 T56 V79 L107 L154 V158A21-I25 WeakPolarHBondContact O-CG1 3.47Å; A21-I25 PolarHBondContact O-N 3.1Å; A22-I25 PolarHBondContact O-N 3.17Å; N23-I25 VanDerWaalsContact C-N 3.31Å; N23-I25 PolarHBondContact O-N 2.93Å; I25-H27 VanDerWaalsContact C-N 3.28Å; I25-H27 PolarHBondContact O-N 3.36Å; I25-C28 WeakPolarHBondContact O-CB 3.44Å; I25-C28 PolarHBondContact O-N 2.93Å; I25-C28 VanDerWaalsContact O-N 3.17Å; I25-V32 HydrophobicContact CB-CG2 4.43Å; I25-V32 HydrophobicContact CG1-CG2 4.11Å; I25-V32 HydrophobicContact CG2-CG2 3.77Å; I25-T56 HydrophobicContact CG2-CG2 3.64Å; I25-V79 HydrophobicContact CG1-CG1 4.41Å; I25-L107 HydrophobicContact CD1-CD1 3.88Å; I25-L107 HydrophobicContact CG1-CD1 3.74Å; I25-L154 HydrophobicContact CD1-CD1 4.19Å; I25-L154 HydrophobicContact CD1-CD2 3.52Å; I25-L154 HydrophobicContact CD1-CG 3.9Å; I25-V158 HydrophobicContact CB-CG2 4.02Å; I25-V158 HydrophobicContact CG2-CB 4.41Å; I25-V158 HydrophobicContact CG2-CG1 3.88Å; I25-V158 HydrophobicContact CG2-CG2 3.77Å
26L98.1Very high98.2Very high40 Ų4047.8 Ų47.821%0.20924%0.239CC..Hα-helixtrans-59.4-40.4-178.9-177.564.3000111.9A22 N23 V158 A161 R162A22-L26 VanDerWaalsContact O-CB 3.27Å; A22-L26 WeakPolarHBondContact O-CB 3.4Å; A22-L26 PolarHBondContact O-N 3.45Å; N23-L26 PolarHBondContact O-N 3.45Å; L26-V158 HydrophobicContact CD1-CG1 4.44Å; L26-A161 HydrophobicContact CD1-CB 4.17Å; L26-A161 HydrophobicContact CD2-CB 3.8Å; L26-R162 HydrophobicContact CD1-CB 3.92Å; L26-R162 PolarHBondContact O-NH2 3.15Å
27H97.8Very high98Very high137 Ų13744.4 Ų44.463%0.63422%0.221SC*.THydrogen-bonded Turntrans-93.58.5180-5990.4000113.7N23 I25 E29N23-H27 PolarHBondContact O-N 3.01Å; N23-H27 PolarHBondContact O-ND1 3Å; I25-H27 VanDerWaalsContact C-N 3.28Å; I25-H27 PolarHBondContact O-N 3.36Å; H27-E29 PolarHBondContact O-N 2.98Å
28C98.2Very high97.8Very high21 Ų2144.1 Ų44.114%0.14223%0.23CC..  trans-64.7118.71741790000110I24 I25 G30 V79I24-C28 PolarHBondContact O-N 2.87Å; I25-C28 WeakPolarHBondContact O-CB 3.44Å; I25-C28 PolarHBondContact O-N 2.93Å; I25-C28 VanDerWaalsContact O-N 3.17Å; C28-G30 VanDerWaalsContact SG-C 3.51Å; C28-V79 HydrophobicContact CB-CG2 3.75Å
29E97.3Very high97.6Very high170 Ų17048.7 Ų48.779%0.79425%0.249SC*.SBendtrans-82.6-22.5176-64.3-176.5177.900112.7H27 R77H27-E29 PolarHBondContact O-N 2.98Å; E29-R77 HydrophobicContact CB-CB 4.36Å
30G97.8Very high97.5Very high13 Ų1346 Ų4613%0.13423%0.234CC..SBendtrans-95.4-128.7174.500000112.6C28 R77 D78C28-G30 VanDerWaalsContact SG-C 3.51Å; G30-R77 WeakPolarHBondContact CA-O 3.48Å; G30-R77 PolarHBondContact N-O 2.97Å; G30-D78 VanDerWaalsContact CA-OD1 3.27Å; G30-D78 WeakPolarHBondContact CA-OD1 3.5Å
31K98Very high97.4Very high104 Ų10440.8 Ų40.845%0.45222%0.216SC..  trans-122.5153.5-177.2-58.9163-169.1-98.60110.7P57 F59 D78 V79K31-P57 CarbonylContact C-O 3.52Å; K31-P57 VanDerWaalsContact CA-O 3.29Å; K31-P57 WeakPolarHBondContact CA-O 3.37Å; K31-P57 HydrophobicContact CG-CB 4.13Å; K31-F59 HydrophobicContact CB-CD1 4.3Å; K31-F59 HydrophobicContact CB-CE1 3.96Å; K31-F59 HydrophobicContact CD-CD1 4.12Å; K31-F59 HydrophobicContact CD-CE1 3.63Å; K31-F59 HydrophobicContact CG-CE1 4.42Å; K31-D78 PolarHBondContact N-OD1 3.1Å; K31-D78 WeakPolarHBondContact O-CA 3.48Å; K31-D78 VanDerWaalsContact O-CB 3.3Å; K31-D78 WeakPolarHBondContact O-CB 3.42Å; K31-V79 PolarHBondContact O-N 2.79Å
32V98.7Very high97.3Very high1 Ų146.1 Ų46.11%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-87.5113.4166.4-175.20000109.3I25 V34 L51 T56 P57 A58 F59 V79 L81I25-V32 HydrophobicContact CB-CG2 4.43Å; I25-V32 HydrophobicContact CG1-CG2 4.11Å; I25-V32 HydrophobicContact CG2-CG2 3.77Å; V32-V34 HydrophobicContact CG1-CG2 4.17Å; V32-L51 HydrophobicContact CB-CD1 4.32Å; V32-L51 HydrophobicContact CG1-CD1 3.97Å; V32-T56 HydrophobicContact CG2-CG2 3.68Å; V32-P57 PolarHBondContact N-O 3.08Å; V32-A58 HydrophobicContact CB-CB 4Å; V32-A58 WeakPolarHBondContact O-CA 3.35Å; V32-A58 WeakPolarHBondContact O-CB 3.39Å; V32-F59 PolarHBondContact O-N 3.07Å; V32-F59 VanDerWaalsContact O-N 3.12Å; V32-V79 CarbonylContact C-O 3.57Å; V32-V79 WeakPolarHBondContact CA-O 3.45Å; V32-L81 HydrophobicContact CG1-CB 4.24Å
33V98.4Very high97.3Very high0 Ų047 Ų470%024%0.243CC..EExtended strand (participates in β ladder)trans-93.7110.4175.5-171.90000108.7F59 V61 I74 D78 V79 M80 L81V33-F59 HydrophobicContact CG1-CE2 4.33Å; V33-F59 HydrophobicContact CG1-CZ 4.29Å; V33-F59 HydrophobicContact CG2-CE1 3.7Å; V33-F59 HydrophobicContact CG2-CE2 4.5Å; V33-F59 HydrophobicContact CG2-CZ 3.68Å; V33-V61 HydrophobicContact CG1-CB 3.94Å; V33-V61 HydrophobicContact CG1-CG2 3.58Å; V33-I74 HydrophobicContact CB-CD1 4.29Å; V33-I74 HydrophobicContact CG1-CD1 3.85Å; V33-I74 HydrophobicContact CG1-CG1 4.35Å; V33-I74 HydrophobicContact CG2-CD1 4.28Å; V33-I74 HydrophobicContact CG2-CG1 4.14Å; V33-I74 HydrophobicContact CG2-CG2 4.07Å; V33-D78 HydrophobicContact CG2-CB 4.49Å; V33-V79 PolarHBondContact N-O 3.49Å; V33-M80 HydrophobicContact CB-SD 3.93Å; V33-M80 HydrophobicContact CG1-SD 3.9Å; V33-M80 WeakPolarHBondContact O-CA 3.49Å; V33-L81 PolarHBondContact O-N 2.82Å
34V98.6Very high97.3Very high0 Ų043.5 Ų43.50%022%0.224CC..EExtended strand (participates in β ladder)trans-93.9136.1178.5-1700000109.5V32 G44 A48 L51 F59 F60 V61 L81 I83V32-V34 HydrophobicContact CG1-CG2 4.17Å; V34-G44 WeakPolarHBondContact CG1-O 3.23Å; V34-A48 HydrophobicContact CB-CB 4.05Å; V34-A48 HydrophobicContact CG2-CB 3.76Å; V34-L51 HydrophobicContact CG2-CD1 4.35Å; V34-F59 PolarHBondContact N-O 3.3Å; V34-F60 CarbonylContact O-C 3.49Å; V34-F60 VanDerWaalsContact O-CA 3.25Å; V34-F60 WeakPolarHBondContact O-CA 3.4Å; V34-F60 VanDerWaalsContact O-CD2 3.25Å; V34-F60 WeakPolarHBondContact O-CD2 3.41Å; V34-V61 PolarHBondContact O-N 2.86Å; V34-L81 CarbonylContact C-O 3.51Å; V34-L81 WeakPolarHBondContact CA-O 3.35Å; V34-L81 HydrophobicContact CG1-CD2 4.3Å; V34-L81 HydrophobicContact CG1-CG 4.47Å; V34-L81 HydrophobicContact CG2-CB 4.45Å; V34-L81 HydrophobicContact CG2-CD2 4.25Å; V34-I83 HydrophobicContact CG1-CD1 3.93Å; V34-I83 HydrophobicContact CG1-CG1 4.42Å
35S98Very high97.3Very high0 Ų047.3 Ų47.30%024%0.24CC..EExtended strand (participates in β ladder)trans-143.2152.9-178.7-159.10000112.7V61 P63 L81 I83S35-V61 WeakPolarHBondContact CA-O 3.49Å; S35-V61 VanDerWaalsContact CB-O 3.3Å; S35-V61 WeakPolarHBondContact CB-O 3.17Å; S35-V61 PolarHBondContact OG-O 3.33Å; S35-P63 VanDerWaalsContact OG-CD 3.29Å; S35-P63 WeakPolarHBondContact OG-CD 3.39Å; S35-P63 VanDerWaalsContact OG-CG 3.24Å; S35-P63 WeakPolarHBondContact OG-CG 3.5Å; S35-L81 PolarHBondContact N-O 3.13Å; S35-I83 PolarHBondContact O-N 3.3Å
36G97.2Very high97.3Very high0 Ų051.1 Ų51.10%026%0.256CS..EExtended strand (participates in β ladder)trans173.7160.5178.900000111.7G41 F60 P63 I83G36-G41 VanDerWaalsContact O-CA 3.32Å; G36-G41 WeakPolarHBondContact O-CA 3.5Å; G36-F60 WeakPolarHBondContact O-CZ 3.46Å; G36-P63 WeakPolarHBondContact O-CD 3.44Å; G36-I83 WeakPolarHBondContact CA-O 3.04Å
37I93.2Very high97.3Very high61 Ų6149.2 Ų49.231%0.31325%0.246SC..SBendtrans-107.6145.8-176.1-54.4-177.4000110.3K39 S40 G41 P63 A89 E91I37-K39 PolarHBondContact O-N 3.42Å; I37-S40 WeakPolarHBondContact O-CB 3.24Å; I37-S40 PolarHBondContact O-N 3.19Å; I37-G41 PolarHBondContact O-N 3.25Å; I37-P63 HydrophobicContact CD1-CB 4.12Å; I37-P63 HydrophobicContact CD1-CG 4.18Å; I37-P63 HydrophobicContact CG1-CB 4.05Å; I37-P63 HydrophobicContact CG1-CG 3.58Å; I37-A89 HydrophobicContact CD1-CB 4.22Å; I37-E91 HydrophobicContact CD1-CG 4.1Å; I37-E91 WeakPolarHBondContact CD1-OE1 3.2Å; I37-E91 WeakPolarHBondContact CD1-OE2 3.37Å
38G93.4Very high97.4Very high45 Ų4542.9 Ų42.946%0.46422%0.217SC..Hα-helixtrans58.6-124.6173.800000112.4S40 G41 H42G38-S40 PolarHBondContact O-N 3.13Å; G38-G41 WeakPolarHBondContact O-CA 3.08Å; G38-G41 PolarHBondContact O-N 3.17Å; G38-G41 VanDerWaalsContact O-N 3.09Å; G38-H42 PolarHBondContact O-N 3.34Å
39K94.6Very high97.4Very high118 Ų11844.7 Ų44.751%0.51323%0.234SC..Hα-helixtrans-64.8-38.9-179.3-58.9-53.4-178.3-144.60112.6I37 G41 H42 I43 P140 T144I37-K39 PolarHBondContact O-N 3.42Å; K39-G41 PolarHBondContact O-N 2.97Å; K39-H42 PolarHBondContact O-N 3.04Å; K39-H42 VanDerWaalsContact O-N 3.15Å; K39-I43 PolarHBondContact O-N 3.38Å; K39-P140 HydrophobicContact CB-CB 4.41Å; K39-P140 HydrophobicContact CB-CG 4.49Å; K39-P140 HydrophobicContact CG-CG 4.36Å; K39-T144 HydrophobicContact CB-CG2 3.87Å
40S95.5Very high97.4Very high22 Ų2237.6 Ų37.615%0.15420%0.202CC..Hα-helixtrans-58.5-36.8171.8-61.80000111.6I37 G38 I43 G44I37-S40 WeakPolarHBondContact O-CB 3.24Å; I37-S40 PolarHBondContact O-N 3.19Å; G38-S40 PolarHBondContact O-N 3.13Å; S40-I43 PolarHBondContact O-N 2.94Å; S40-G44 PolarHBondContact O-N 2.86Å
41G96.8Very high97.4Very high4 Ų437 Ų374%0.04120%0.196CC..Hα-helixtrans-64.8-40.2175.100000113.7G36 I37 G38 K39 G44 K45 F60G36-G41 VanDerWaalsContact O-CA 3.32Å; G36-G41 WeakPolarHBondContact O-CA 3.5Å; I37-G41 PolarHBondContact O-N 3.25Å; G38-G41 WeakPolarHBondContact O-CA 3.08Å; G38-G41 PolarHBondContact O-N 3.17Å; G38-G41 VanDerWaalsContact O-N 3.09Å; K39-G41 PolarHBondContact O-N 2.97Å; G41-G44 PolarHBondContact O-N 3.05Å; G41-K45 WeakPolarHBondContact O-CG 3.13Å; G41-K45 PolarHBondContact O-N 2.86Å; G41-F60 WeakPolarHBondContact O-CE2 3.26Å
42H97.7Very high97.3Very high113 Ų11334 Ų3452%0.52319%0.191SC..Hα-helixtrans-62.2-45174.9-67.9-38.6000112.3G38 K39 K45 K46G38-H42 PolarHBondContact O-N 3.34Å; K39-H42 PolarHBondContact O-N 3.04Å; K39-H42 VanDerWaalsContact O-N 3.15Å; H42-K45 PolarHBondContact O-N 3.05Å; H42-K46 PolarHBondContact O-N 2.91Å
43I98.4Very high97Very high30 Ų3035.3 Ų35.315%0.15420%0.2CC..Hα-helixtrans-66.9-40.4176.6-54-54.4000110.4K39 S40 K45 K46 I47 T144 T147 L148K39-I43 PolarHBondContact O-N 3.38Å; S40-I43 PolarHBondContact O-N 2.94Å; I43-K45 VanDerWaalsContact C-N 3.32Å; I43-K45 PolarHBondContact O-N 3.34Å; I43-K46 WeakPolarHBondContact O-CA 3.43Å; I43-K46 WeakPolarHBondContact O-CB 3.39Å; I43-K46 PolarHBondContact O-N 3.34Å; I43-I47 HydrophobicContact CG2-CD1 3.88Å; I43-I47 HydrophobicContact CG2-CG1 4.26Å; I43-I47 WeakPolarHBondContact O-CG1 3.48Å; I43-I47 PolarHBondContact O-N 2.86Å; I43-T144 HydrophobicContact CG1-CG2 4.45Å; I43-T147 HydrophobicContact CB-CG2 4.17Å; I43-T147 HydrophobicContact CG2-CG2 3.64Å; I43-L148 HydrophobicContact CG2-CB 3.93Å; I43-L148 HydrophobicContact CG2-CD1 4.38Å
44G98.6Very high96.9Very high0 Ų035.5 Ų35.50%020%0.201CC..Hα-helixtrans-57.5-39.9175.600000113.7V34 S40 G41 K46 I47 A48V34-G44 WeakPolarHBondContact CG1-O 3.23Å; S40-G44 PolarHBondContact O-N 2.86Å; G41-G44 PolarHBondContact O-N 3.05Å; G44-K46 VanDerWaalsContact C-N 3.34Å; G44-K46 PolarHBondContact O-N 2.86Å; G44-I47 PolarHBondContact O-N 2.96Å; G44-A48 WeakPolarHBondContact O-CB 3.21Å; G44-A48 PolarHBondContact O-N 3.1Å
45K98.6Very high96.6Very high115 Ų11536.5 Ų36.550%0.521%0.212SC..Hα-helixtrans-59.8-43.2172.6-73.2179.2-177.8-171.80112.2G41 H42 I43 A49 F60G41-K45 WeakPolarHBondContact O-CG 3.13Å; G41-K45 PolarHBondContact O-N 2.86Å; H42-K45 PolarHBondContact O-N 3.05Å; I43-K45 VanDerWaalsContact C-N 3.32Å; I43-K45 PolarHBondContact O-N 3.34Å; K45-A49 WeakPolarHBondContact O-CB 3.45Å; K45-A49 PolarHBondContact O-N 3.33Å; K45-F60 HydrophobicContact CB-CG 4.5Å; K45-F60 HydrophobicContact CD-CD1 4.31Å; K45-F60 HydrophobicContact CG-CB 3.87Å; K45-F60 HydrophobicContact CG-CD1 3.65Å; K45-F60 HydrophobicContact CG-CD2 3.91Å; K45-F60 HydrophobicContact CG-CE1 4.15Å; K45-F60 HydrophobicContact CG-CE2 4.38Å; K45-F60 HydrophobicContact CG-CG 3.51Å; K45-F60 HydrophobicContact CG-CZ 4.48Å
46K98.5Very high96.6Very high79 Ų7936.7 Ų36.734%0.34321%0.213SC..Hα-helixtrans-63.4-48176.4-168.8-77.3-172.2-175.80110.4H42 I43 G44 A48 A49 T50 L148 D152H42-K46 PolarHBondContact O-N 2.91Å; I43-K46 WeakPolarHBondContact O-CA 3.43Å; I43-K46 WeakPolarHBondContact O-CB 3.39Å; I43-K46 PolarHBondContact O-N 3.34Å; G44-K46 VanDerWaalsContact C-N 3.34Å; G44-K46 PolarHBondContact O-N 2.86Å; K46-A48 PolarHBondContact O-N 3.31Å; K46-A49 CarbonylContact O-C 3.46Å; K46-A49 WeakPolarHBondContact O-CB 3.42Å; K46-A49 PolarHBondContact O-N 2.91Å; K46-A49 VanDerWaalsContact O-N 3.13Å; K46-T50 PolarHBondContact NZ-OG1 2.93Å; K46-T50 VanDerWaalsContact NZ-OG1 3.12Å; K46-T50 PolarHBondContact O-N 3.07Å; K46-T50 PolarHBondContact O-OG1 3Å; K46-L148 HydrophobicContact CD-CD1 3.48Å; K46-L148 VanDerWaalsContact CD-CD1 3.48Å; K46-L148 HydrophobicContact CG-CD1 4.13Å; K46-D152 IonicContact NZ-OD1 2.67Å; K46-D152 PolarHBondContact NZ-OD1 2.93Å; K46-D152 IonicContact NZ-OD2 3.14Å; K46-D152 PolarHBondContact NZ-OD2 3.26Å
47I98.8Very high96.6Very high0 Ų040 Ų400%024%0.235CC..Hα-helixtrans-58.7-46.9179.7-66.5170.9000111I43 G44 A49 T50 L51 L81 I83 M109 T147I43-I47 HydrophobicContact CG2-CD1 3.88Å; I43-I47 HydrophobicContact CG2-CG1 4.26Å; I43-I47 WeakPolarHBondContact O-CG1 3.48Å; I43-I47 PolarHBondContact O-N 2.86Å; G44-I47 PolarHBondContact O-N 2.96Å; I47-A49 VanDerWaalsContact C-N 3.32Å; I47-A49 PolarHBondContact O-N 2.82Å; I47-T50 PolarHBondContact O-N 3.47Å; I47-L51 HydrophobicContact CG2-CD1 4.1Å; I47-L51 WeakPolarHBondContact O-CG 3.5Å; I47-L51 PolarHBondContact O-N 3.11Å; I47-L81 HydrophobicContact CG2-CD2 4.21Å; I47-I83 HydrophobicContact CD1-CD1 3.87Å; I47-M109 HydrophobicContact CD1-CE 4.22Å; I47-M109 HydrophobicContact CD1-SD 3.97Å; I47-T147 HydrophobicContact CD1-CG2 4.27Å
48A98.6Very high96.9Very high4 Ų438 Ų383%0.03323%0.227CC..Hα-helixtrans-58.4-44.2175.600000111.8V34 G44 K46 L51 A52 F60V34-A48 HydrophobicContact CB-CB 4.05Å; V34-A48 HydrophobicContact CG2-CB 3.76Å; G44-A48 WeakPolarHBondContact O-CB 3.21Å; G44-A48 PolarHBondContact O-N 3.1Å; K46-A48 PolarHBondContact O-N 3.31Å; A48-L51 PolarHBondContact O-N 2.93Å; A48-A52 WeakPolarHBondContact O-CB 3.16Å; A48-A52 PolarHBondContact O-N 3.15Å; A48-F60 HydrophobicContact CB-CB 4.35Å
49A97.8Very high97.1Very high60 Ų6038.6 Ų38.650%0.49622%0.217SC..Hα-helixtrans-63.1-41.3176.200000112K45 K46 I47 A52 S53K45-A49 WeakPolarHBondContact O-CB 3.45Å; K45-A49 PolarHBondContact O-N 3.33Å; K46-A49 CarbonylContact O-C 3.46Å; K46-A49 WeakPolarHBondContact O-CB 3.42Å; K46-A49 PolarHBondContact O-N 2.91Å; K46-A49 VanDerWaalsContact O-N 3.13Å; I47-A49 VanDerWaalsContact C-N 3.32Å; I47-A49 PolarHBondContact O-N 2.82Å; A49-A52 PolarHBondContact O-N 3.16Å; A49-S53 WeakPolarHBondContact O-CB 3.35Å; A49-S53 PolarHBondContact O-N 3.01Å; A49-S53 PolarHBondContact O-OG 3.4Å
50T97.9Very high97.2Very high20 Ų2035 Ų3512%0.12320%0.201CC..Hα-helixtrans-63.3-49.6176.5-620000111K46 I47 A52 S53 T54 A155 M156K46-T50 PolarHBondContact NZ-OG1 2.93Å; K46-T50 VanDerWaalsContact NZ-OG1 3.12Å; K46-T50 PolarHBondContact O-N 3.07Å; K46-T50 PolarHBondContact O-OG1 3Å; I47-T50 PolarHBondContact O-N 3.47Å; T50-A52 VanDerWaalsContact C-N 3.34Å; T50-A52 PolarHBondContact O-N 2.67Å; T50-S53 WeakPolarHBondContact CA-OG 3.21Å; T50-S53 PolarHBondContact O-N 3.32Å; T50-S53 VanDerWaalsContact O-N 3.16Å; T50-S53 PolarHBondContact O-OG 3.29Å; T50-T54 WeakPolarHBondContact O-CG2 3Å; T50-T54 PolarHBondContact O-N 3.23Å; T50-T54 PolarHBondContact O-OG1 3.09Å; T50-A155 HydrophobicContact CG2-CB 3.67Å; T50-M156 HydrophobicContact CG2-CE 4.08Å
51L98.2Very high97.3Very high1 Ų134.1 Ų34.11%0.00520%0.195CC..Hα-helixtrans-54.8-48.3175-73.9168.2000112.1V32 V34 I47 A48 S53 T54 G55 T56 A58 A155V32-L51 HydrophobicContact CB-CD1 4.32Å; V32-L51 HydrophobicContact CG1-CD1 3.97Å; V34-L51 HydrophobicContact CG2-CD1 4.35Å; I47-L51 HydrophobicContact CG2-CD1 4.1Å; I47-L51 WeakPolarHBondContact O-CG 3.5Å; I47-L51 PolarHBondContact O-N 3.11Å; A48-L51 PolarHBondContact O-N 2.93Å; L51-S53 VanDerWaalsContact C-N 3.33Å; L51-S53 PolarHBondContact O-N 2.92Å; L51-T54 CarbonylContact O-C 3.58Å; L51-T54 PolarHBondContact O-N 2.88Å; L51-T54 VanDerWaalsContact O-N 3.15Å; L51-T54 PolarHBondContact O-OG1 3.38Å; L51-G55 PolarHBondContact O-N 2.84Å; L51-T56 CarbonylContact C-O 3.56Å; L51-T56 HydrophobicContact CB-CG2 4.37Å; L51-T56 HydrophobicContact CD2-CG2 4.2Å; L51-T56 WeakPolarHBondContact O-CA 3.42Å; L51-T56 WeakPolarHBondContact O-CB 3.35Å; L51-T56 PolarHBondContact O-N 2.85Å; L51-A58 HydrophobicContact CB-CB 3.61Å; L51-A58 HydrophobicContact CD1-CB 4.16Å; L51-A155 HydrophobicContact CD2-CB 3.8Å; L51-A155 HydrophobicContact CG-CB 4.2Å
52A96.2Very high97.3Very high42 Ų4237.2 Ų37.235%0.34721%0.208SC..Hα-helixtrans-62-40.5178.700000112.2A48 A49 T50 T54 T56A48-A52 WeakPolarHBondContact O-CB 3.16Å; A48-A52 PolarHBondContact O-N 3.15Å; A49-A52 PolarHBondContact O-N 3.16Å; T50-A52 VanDerWaalsContact C-N 3.34Å; T50-A52 PolarHBondContact O-N 2.67Å; A52-T54 PolarHBondContact O-N 3.4Å; A52-T56 WeakPolarHBondContact CA-O 3.36Å; A52-T56 PolarHBondContact N-O 2.9Å; A52-T56 VanDerWaalsContact N-O 3.17Å
53S93.1Very high97.2Very high27 Ų2731.8 Ų31.819%0.18918%0.183CC..Hα-helixtrans-67.6-22177.974.70000113.1A49 T50 L51 F164 H173A49-S53 WeakPolarHBondContact O-CB 3.35Å; A49-S53 PolarHBondContact O-N 3.01Å; A49-S53 PolarHBondContact O-OG 3.4Å; T50-S53 WeakPolarHBondContact CA-OG 3.21Å; T50-S53 PolarHBondContact O-N 3.32Å; T50-S53 VanDerWaalsContact O-N 3.16Å; T50-S53 PolarHBondContact O-OG 3.29Å; L51-S53 VanDerWaalsContact C-N 3.33Å; L51-S53 PolarHBondContact O-N 2.92Å; S53-F164 WeakPolarHBondContact O-CZ 3.34Å; S53-H173 VanDerWaalsContact CB-CE1 3.48Å; S53-H173 WeakPolarHBondContact CB-CE1 3.34Å; S53-H173 WeakPolarHBondContact CB-NE2 3.34Å; S53-H173 PolarHBondContact O-CE1 3.13Å
54T94.9Very high97Very high5 Ų531.9 Ų31.93%0.03119%0.188CC..THydrogen-bonded Turntrans-112.931.7-177.663.50000112.9T50 L51 A52 T56 M156 M159T50-T54 WeakPolarHBondContact O-CG2 3Å; T50-T54 PolarHBondContact O-N 3.23Å; T50-T54 PolarHBondContact O-OG1 3.09Å; L51-T54 CarbonylContact O-C 3.58Å; L51-T54 PolarHBondContact O-N 2.88Å; L51-T54 VanDerWaalsContact O-N 3.15Å; L51-T54 PolarHBondContact O-OG1 3.38Å; A52-T54 PolarHBondContact O-N 3.4Å; T54-T56 PolarHBondContact O-N 2.93Å; T54-M156 HydrophobicContact CG2-CE 3.82Å; T54-M159 HydrophobicContact CG2-CG 4.29Å; T54-M159 HydrophobicContact CG2-SD 3.5Å; T54-M159 VanDerWaalsContact CG2-SD 3.5Å
55G93.6Very high96.7Very high21 Ų2136.8 Ų36.822%0.21621%0.211CC..THydrogen-bonded Turntrans81.910.1168.800000116.2L51 F164L51-G55 PolarHBondContact O-N 2.84Å; G55-F164 VanDerWaalsContact N-CE2 3.27Å
56T97.3Very high96.4Very high3 Ų331.4 Ų31.42%0.01819%0.188CC..  trans-108.9105.9173.7-59.60000109.2I25 V32 L51 A52 T54 A58 V158I25-T56 HydrophobicContact CG2-CG2 3.64Å; V32-T56 HydrophobicContact CG2-CG2 3.68Å; L51-T56 CarbonylContact C-O 3.56Å; L51-T56 HydrophobicContact CB-CG2 4.37Å; L51-T56 HydrophobicContact CD2-CG2 4.2Å; L51-T56 WeakPolarHBondContact O-CA 3.42Å; L51-T56 WeakPolarHBondContact O-CB 3.35Å; L51-T56 PolarHBondContact O-N 2.85Å; A52-T56 WeakPolarHBondContact CA-O 3.36Å; A52-T56 PolarHBondContact N-O 2.9Å; A52-T56 VanDerWaalsContact N-O 3.17Å; T54-T56 PolarHBondContact O-N 2.93Å; T56-A58 WeakPolarHBondContact O-CB 3.21Å; T56-A58 PolarHBondContact O-N 2.89Å; T56-V158 WeakPolarHBondContact OG1-CG1 3.43Å
57P97.3Very high96.1Very high71 Ų7130.4 Ų30.446%0.46119%0.186SC..  trans-53.6114.7179.2-26.335.2000110.9K31 V32K31-P57 CarbonylContact C-O 3.52Å; K31-P57 VanDerWaalsContact CA-O 3.29Å; K31-P57 WeakPolarHBondContact CA-O 3.37Å; K31-P57 HydrophobicContact CG-CB 4.13Å; V32-P57 PolarHBondContact N-O 3.08Å
58A98.2Very high95.8Very high19 Ų1938 Ų3816%0.15722%0.221CC..EExtended strand (participates in β ladder)trans-147.9149.7-174.200000111.5V32 L51 T56V32-A58 HydrophobicContact CB-CB 4Å; V32-A58 WeakPolarHBondContact O-CA 3.35Å; V32-A58 WeakPolarHBondContact O-CB 3.39Å; L51-A58 HydrophobicContact CB-CB 3.61Å; L51-A58 HydrophobicContact CD1-CB 4.16Å; T56-A58 WeakPolarHBondContact O-CB 3.21Å; T56-A58 PolarHBondContact O-N 2.89Å
59F97.7Very high95.3Very high56 Ų5640.1 Ų40.125%0.24624%0.244CC..EExtended strand (participates in β ladder)trans-152.1165175.165.9-77.5000110.5K31 V32 V33 V34 V61 M73K31-F59 HydrophobicContact CB-CD1 4.3Å; K31-F59 HydrophobicContact CB-CE1 3.96Å; K31-F59 HydrophobicContact CD-CD1 4.12Å; K31-F59 HydrophobicContact CD-CE1 3.63Å; K31-F59 HydrophobicContact CG-CE1 4.42Å; V32-F59 PolarHBondContact O-N 3.07Å; V32-F59 VanDerWaalsContact O-N 3.12Å; V33-F59 HydrophobicContact CG1-CE2 4.33Å; V33-F59 HydrophobicContact CG1-CZ 4.29Å; V33-F59 HydrophobicContact CG2-CE1 3.7Å; V33-F59 HydrophobicContact CG2-CE2 4.5Å; V33-F59 HydrophobicContact CG2-CZ 3.68Å; V34-F59 PolarHBondContact N-O 3.3Å; F59-V61 HydrophobicContact CD2-CG2 3.75Å; F59-V61 HydrophobicContact CE2-CG2 3.3Å; F59-V61 HydrophobicContact CZ-CG2 4.27Å; F59-M73 HydrophobicContact CE2-CE 4.42Å
60F98.2Very high95.1Very high43 Ų4340 Ų4019%0.18923%0.234CC..EExtended strand (participates in β ladder)trans-101134.4179.5177.2-91.7000111V34 G36 G41 K45 A48 H62V34-F60 CarbonylContact O-C 3.49Å; V34-F60 VanDerWaalsContact O-CA 3.25Å; V34-F60 WeakPolarHBondContact O-CA 3.4Å; V34-F60 VanDerWaalsContact O-CD2 3.25Å; V34-F60 WeakPolarHBondContact O-CD2 3.41Å; G36-F60 WeakPolarHBondContact O-CZ 3.46Å; G41-F60 WeakPolarHBondContact O-CE2 3.26Å; K45-F60 HydrophobicContact CB-CG 4.5Å; K45-F60 HydrophobicContact CD-CD1 4.31Å; K45-F60 HydrophobicContact CG-CB 3.87Å; K45-F60 HydrophobicContact CG-CD1 3.65Å; K45-F60 HydrophobicContact CG-CD2 3.91Å; K45-F60 HydrophobicContact CG-CE1 4.15Å; K45-F60 HydrophobicContact CG-CE2 4.38Å; K45-F60 HydrophobicContact CG-CG 3.51Å; K45-F60 HydrophobicContact CG-CZ 4.48Å; A48-F60 HydrophobicContact CB-CB 4.35Å; F60-H62 HydrophobicContact CE1-CB 3.98Å
61V97.4Very high94.6Very high3 Ų340.3 Ų40.32%0.01824%0.235CC..  trans-120.8129.2169.5177.50000108.7V33 V34 S35 F59 A66 D70 M73V33-V61 HydrophobicContact CG1-CB 3.94Å; V33-V61 HydrophobicContact CG1-CG2 3.58Å; V34-V61 PolarHBondContact O-N 2.86Å; S35-V61 WeakPolarHBondContact CA-O 3.49Å; S35-V61 VanDerWaalsContact CB-O 3.3Å; S35-V61 WeakPolarHBondContact CB-O 3.17Å; S35-V61 PolarHBondContact OG-O 3.33Å; F59-V61 HydrophobicContact CD2-CG2 3.75Å; F59-V61 HydrophobicContact CE2-CG2 3.3Å; F59-V61 HydrophobicContact CZ-CG2 4.27Å; V61-A66 HydrophobicContact CG1-CB 3.81Å; V61-D70 HydrophobicContact CG1-CB 3.8Å; V61-M73 HydrophobicContact CG2-CE 4.31Å
62H96.6Very high94.2Very high69 Ų6943.1 Ų43.132%0.31927%0.265SS..  trans-74.8133.1175.1-171.6-90000110F60 A64 E65 A66F60-H62 HydrophobicContact CE1-CB 3.98Å; H62-A64 VanDerWaalsContact C-N 3.27Å; H62-A64 WeakPolarHBondContact ND1-CB 3.36Å; H62-A64 PolarHBondContact ND1-N 3.19Å; H62-A64 PolarHBondContact O-N 3.23Å; H62-A64 VanDerWaalsContact O-N 3.16Å; H62-E65 HydrophobicContact CB-CB 4.34Å; H62-E65 HydrophobicContact CB-CG 3.97Å; H62-E65 PolarHBondContact O-N 2.94Å; H62-A66 PolarHBondContact O-N 2.79Å
63P95.1Very high94Very high0 Ų045.7 Ų45.70%027%0.271CS..Hα-helixtrans-55.1-37.1-176-31.538000114.9S35 G36 I37 A66 L67 F82 E91 I95S35-P63 VanDerWaalsContact OG-CD 3.29Å; S35-P63 WeakPolarHBondContact OG-CD 3.39Å; S35-P63 VanDerWaalsContact OG-CG 3.24Å; S35-P63 WeakPolarHBondContact OG-CG 3.5Å; G36-P63 WeakPolarHBondContact O-CD 3.44Å; I37-P63 HydrophobicContact CD1-CB 4.12Å; I37-P63 HydrophobicContact CD1-CG 4.18Å; I37-P63 HydrophobicContact CG1-CB 4.05Å; I37-P63 HydrophobicContact CG1-CG 3.58Å; P63-A66 WeakPolarHBondContact O-CB 3.33Å; P63-A66 PolarHBondContact O-N 2.92Å; P63-L67 PolarHBondContact O-N 2.77Å; P63-F82 HydrophobicContact CB-CE2 4.32Å; P63-F82 HydrophobicContact CB-CZ 4.03Å; P63-F82 HydrophobicContact CG-CE1 4.48Å; P63-F82 HydrophobicContact CG-CE2 3.97Å; P63-F82 HydrophobicContact CG-CZ 3.56Å; P63-E91 HydrophobicContact CB-CB 3.91Å; P63-E91 HydrophobicContact CB-CG 3.97Å; P63-I95 HydrophobicContact CB-CD1 3.99Å
64A93.6Very high94Very high31 Ų3144.5 Ų44.526%0.25626%0.262SS..Hα-helixtrans-65-43.5175.700000111.8H62 A66 L67 H68H62-A64 VanDerWaalsContact C-N 3.27Å; H62-A64 WeakPolarHBondContact ND1-CB 3.36Å; H62-A64 PolarHBondContact ND1-N 3.19Å; H62-A64 PolarHBondContact O-N 3.23Å; H62-A64 VanDerWaalsContact O-N 3.16Å; A64-A66 VanDerWaalsContact C-N 3.32Å; A64-A66 PolarHBondContact O-N 3.13Å; A64-L67 PolarHBondContact O-N 3.2Å; A64-H68 PolarHBondContact O-N 3.03Å; A64-H68 PolarHBondContact O-ND1 2.59Å
65E93.6Very high94Very high104 Ų10448.7 Ų48.749%0.48628%0.281SS..Hα-helixtrans-67.7-35.5178.1-58-57.6142.300111.2H62 L67 H68 G69 D70H62-E65 HydrophobicContact CB-CB 4.34Å; H62-E65 HydrophobicContact CB-CG 3.97Å; H62-E65 PolarHBondContact O-N 2.94Å; E65-L67 PolarHBondContact O-N 2.91Å; E65-H68 CarbonylContact O-C 3.06Å; E65-H68 PolarHBondContact O-N 3.28Å; E65-G69 PolarHBondContact O-N 3.19Å; E65-G69 VanDerWaalsContact O-N 3.16Å; E65-D70 HydrophobicContact CB-CB 4.42Å; E65-D70 WeakPolarHBondContact CB-OD2 3.46Å; E65-D70 WeakPolarHBondContact O-CB 3.44Å; E65-D70 PolarHBondContact O-N 3.02Å; E65-D70 VanDerWaalsContact O-N 3.1Å
66A92.5Very high94.1Very high2 Ų251.8 Ų51.82%0.01730%0.3CS..Hα-helixtrans-51.4-47.8172.900000110.7V61 H62 P63 A64 H68 G69 L71 I95V61-A66 HydrophobicContact CG1-CB 3.81Å; H62-A66 PolarHBondContact O-N 2.79Å; P63-A66 WeakPolarHBondContact O-CB 3.33Å; P63-A66 PolarHBondContact O-N 2.92Å; A64-A66 VanDerWaalsContact C-N 3.32Å; A64-A66 PolarHBondContact O-N 3.13Å; A66-H68 VanDerWaalsContact C-N 3.27Å; A66-H68 PolarHBondContact O-N 3.2Å; A66-G69 PolarHBondContact O-N 2.89Å; A66-L71 HydrophobicContact CB-CD2 4.16Å; A66-L71 HydrophobicContact CB-CG 3.88Å; A66-L71 WeakPolarHBondContact O-CB 3.39Å; A66-L71 WeakPolarHBondContact O-CG 3.32Å; A66-L71 PolarHBondContact O-N 2.81Å; A66-L71 VanDerWaalsContact O-N 3.07Å; A66-I95 HydrophobicContact CB-CD1 4.39Å
67L91.3Very high94.1Very high57 Ų5758.1 Ų58.130%0.29832%0.324SS..Hα-helixtrans-72.2-15.9179.1-66174.8000114.4P63 A64 E65 L71 E91 L94 I95P63-L67 PolarHBondContact O-N 2.77Å; A64-L67 PolarHBondContact O-N 3.2Å; E65-L67 PolarHBondContact O-N 2.91Å; L67-L71 HydrophobicContact CD2-CD1 4.29Å; L67-E91 HydrophobicContact CD1-CB 3.94Å; L67-E91 HydrophobicContact CD1-CG 3.93Å; L67-L94 HydrophobicContact CD1-CB 4.27Å; L67-L94 HydrophobicContact CD1-CD1 4.01Å; L67-L94 HydrophobicContact CD2-CB 3.47Å; L67-L94 VanDerWaalsContact CD2-CB 3.47Å; L67-L94 HydrophobicContact CD2-CD1 4.2Å; L67-I95 HydrophobicContact CD2-CG1 3.83Å; L67-I95 HydrophobicContact CG-CG1 4.18Å
68H92.2Very high94.1Very high160 Ų16054.9 Ų54.974%0.74130%0.303SS*.THydrogen-bonded Turntrans-104.710.4179.5-67.388000113.7A64 E65 A66A64-H68 PolarHBondContact O-N 3.03Å; A64-H68 PolarHBondContact O-ND1 2.59Å; E65-H68 CarbonylContact O-C 3.06Å; E65-H68 PolarHBondContact O-N 3.28Å; A66-H68 VanDerWaalsContact C-N 3.27Å; A66-H68 PolarHBondContact O-N 3.2Å
69G88.7Confident94.2Very high49 Ų4954.2 Ų54.251%0.50530%0.297SS..THydrogen-bonded Turntrans144.4-27.1170.600000114.3E65 A66 L71 G72E65-G69 PolarHBondContact O-N 3.19Å; E65-G69 VanDerWaalsContact O-N 3.16Å; A66-G69 PolarHBondContact O-N 2.89Å; G69-L71 PolarHBondContact O-N 3.21Å; G69-L71 VanDerWaalsContact O-N 3.16Å; G69-G72 PolarHBondContact O-N 3.42Å
70D92.8Very high94.2Very high56 Ų5651.6 Ų51.630%0.29929%0.285SS..G310 helixtrans-68.3-18.5-172.5-76.65.1000113.4V61 E65 G72 M73V61-D70 HydrophobicContact CG1-CB 3.8Å; E65-D70 HydrophobicContact CB-CB 4.42Å; E65-D70 WeakPolarHBondContact CB-OD2 3.46Å; E65-D70 WeakPolarHBondContact O-CB 3.44Å; E65-D70 PolarHBondContact O-N 3.02Å; E65-D70 VanDerWaalsContact O-N 3.1Å; D70-G72 PolarHBondContact O-N 3.35Å; D70-G72 VanDerWaalsContact O-N 3.12Å; D70-M73 HydrophobicContact CB-CE 3.43Å; D70-M73 VanDerWaalsContact CB-CE 3.43Å; D70-M73 WeakPolarHBondContact O-CB 3.5Å; D70-M73 PolarHBondContact O-N 3.23Å
71L88.8Confident94.2Very high27 Ų2749.6 Ų49.614%0.14128%0.276CS..G310 helixtrans-58.8-19.5167.9-80.6175.5000112.9A66 L67 G69 M73 I74 R98 K102A66-L71 HydrophobicContact CB-CD2 4.16Å; A66-L71 HydrophobicContact CB-CG 3.88Å; A66-L71 WeakPolarHBondContact O-CB 3.39Å; A66-L71 WeakPolarHBondContact O-CG 3.32Å; A66-L71 PolarHBondContact O-N 2.81Å; A66-L71 VanDerWaalsContact O-N 3.07Å; L67-L71 HydrophobicContact CD2-CD1 4.29Å; G69-L71 PolarHBondContact O-N 3.21Å; G69-L71 VanDerWaalsContact O-N 3.16Å; L71-M73 PolarHBondContact O-N 2.98Å; L71-I74 HydrophobicContact CD2-CD1 3.87Å; L71-I74 PolarHBondContact O-N 3.4Å; L71-R98 HydrophobicContact CD1-CB 4.27Å; L71-R98 HydrophobicContact CD1-CG 4.23Å; L71-K102 PolarHBondContact O-NZ 2.92Å
72G89.9Confident94.3Very high61 Ų6149.5 Ų49.563%0.62928%0.275SS*.G310 helixtrans-66.4-24171.600000113.6G69 D70 I74G69-G72 PolarHBondContact O-N 3.42Å; D70-G72 PolarHBondContact O-N 3.35Å; D70-G72 VanDerWaalsContact O-N 3.12Å; G72-I74 VanDerWaalsContact C-N 3.29Å
73M90.8Very high94.4Very high96 Ų9646.2 Ų46.247%0.47326%0.26SS..G310 helixtrans-78.5-13.2176.4-61.7-171.2-73.800113.4F59 V61 D70 L71F59-M73 HydrophobicContact CE2-CE 4.42Å; V61-M73 HydrophobicContact CG2-CE 4.31Å; D70-M73 HydrophobicContact CB-CE 3.43Å; D70-M73 VanDerWaalsContact CB-CE 3.43Å; D70-M73 WeakPolarHBondContact O-CB 3.5Å; D70-M73 PolarHBondContact O-N 3.23Å; L71-M73 PolarHBondContact O-N 2.98Å
74I94Very high94.5Very high2 Ų246.8 Ų46.81%0.0126%0.264CS..  trans-95.7120.4-177.7-41.4-175.5000109.7V33 L71 G72 D78 M80 K102 I104V33-I74 HydrophobicContact CB-CD1 4.29Å; V33-I74 HydrophobicContact CG1-CD1 3.85Å; V33-I74 HydrophobicContact CG1-CG1 4.35Å; V33-I74 HydrophobicContact CG2-CD1 4.28Å; V33-I74 HydrophobicContact CG2-CG1 4.14Å; V33-I74 HydrophobicContact CG2-CG2 4.07Å; L71-I74 HydrophobicContact CD2-CD1 3.87Å; L71-I74 PolarHBondContact O-N 3.4Å; G72-I74 VanDerWaalsContact C-N 3.29Å; I74-D78 WeakPolarHBondContact CA-OD2 3.12Å; I74-D78 HydrophobicContact CG2-CB 3.82Å; I74-M80 HydrophobicContact CD1-SD 4.18Å; I74-K102 PolarHBondContact O-NZ 3.24Å; I74-I104 HydrophobicContact CB-CD1 4.18Å; I74-I104 HydrophobicContact CG2-CD1 3.56Å; I74-I104 HydrophobicContact CG2-CG1 4.39Å; I74-I104 HydrophobicContact CG2-CG2 4.39Å
75E94.6Very high94.6Very high92 Ų9248.6 Ų48.643%0.4327%0.265SS..  trans-101.4161.5-178.9-61.8-179.8158.400111.1R77 D78 I104E75-R77 HydrophobicContact CB-CG 4.14Å; E75-R77 PolarHBondContact O-N 3.25Å; E75-R77 VanDerWaalsContact O-N 3.13Å; E75-R77 IonicContact OE1-NH2 3.92Å; E75-R77 IonicContact OE2-CZ 2.78Å; E75-R77 IonicContact OE2-NE 3.62Å; E75-R77 PolarHBondContact OE2-NE 3.04Å; E75-R77 IonicContact OE2-NH2 2.55Å; E75-R77 PolarHBondContact OE2-NH2 3.38Å; E75-D78 PolarHBondContact N-OD2 2.82Å; E75-D78 VanDerWaalsContact O-CB 3.28Å; E75-D78 WeakPolarHBondContact O-CB 3.33Å; E75-D78 PolarHBondContact O-N 3.01Å; E75-I104 WeakPolarHBondContact O-CG1 3.48Å
76S95.7Very high94.7Very high87 Ų8746.4 Ų46.461%0.60826%0.261SS*.THydrogen-bonded Turntrans-62.5-20.7-178.253.10000114.6D78 K102S76-D78 VanDerWaalsContact C-N 3.33Å; S76-K102 WeakPolarHBondContact CB-O 3.36Å
77R97.3Very high94.9Very high135 Ų13546.3 Ų46.351%0.50926%0.26SS..THydrogen-bonded Turntrans-84.1-5.1175.460.9171172.9-172.3-4.5114.2E29 G30 E75E29-R77 HydrophobicContact CB-CB 4.36Å; G30-R77 WeakPolarHBondContact CA-O 3.48Å; G30-R77 PolarHBondContact N-O 2.97Å; E75-R77 HydrophobicContact CB-CG 4.14Å; E75-R77 PolarHBondContact O-N 3.25Å; E75-R77 VanDerWaalsContact O-N 3.13Å; E75-R77 IonicContact OE1-NH2 3.92Å; E75-R77 IonicContact OE2-CZ 2.78Å; E75-R77 IonicContact OE2-NE 3.62Å; E75-R77 PolarHBondContact OE2-NE 3.04Å; E75-R77 IonicContact OE2-NH2 2.55Å; E75-R77 PolarHBondContact OE2-NH2 3.38Å
78D98.2Very high95Very high4 Ų445.6 Ų45.62%0.02127%0.267CS..  trans-83.9165.2178.9-63.9-26.7000111.5G30 K31 V33 I74 E75 S76G30-D78 VanDerWaalsContact CA-OD1 3.27Å; G30-D78 WeakPolarHBondContact CA-OD1 3.5Å; K31-D78 PolarHBondContact N-OD1 3.1Å; K31-D78 WeakPolarHBondContact O-CA 3.48Å; K31-D78 VanDerWaalsContact O-CB 3.3Å; K31-D78 WeakPolarHBondContact O-CB 3.42Å; V33-D78 HydrophobicContact CG2-CB 4.49Å; I74-D78 WeakPolarHBondContact CA-OD2 3.12Å; I74-D78 HydrophobicContact CG2-CB 3.82Å; E75-D78 PolarHBondContact N-OD2 2.82Å; E75-D78 VanDerWaalsContact O-CB 3.28Å; E75-D78 WeakPolarHBondContact O-CB 3.33Å; E75-D78 PolarHBondContact O-N 3.01Å; S76-D78 VanDerWaalsContact C-N 3.33Å
79V98.6Very high95Very high5 Ų538.8 Ų38.83%0.0324%0.238CC..EExtended strand (participates in β ladder)trans-118.7128172.3174.50000108.4I24 I25 C28 K31 V32 V33 A105 L107I24-V79 HydrophobicContact CG2-CG1 3.9Å; I24-V79 HydrophobicContact CG2-CG2 3.73Å; I25-V79 HydrophobicContact CG1-CG1 4.41Å; C28-V79 HydrophobicContact CB-CG2 3.75Å; K31-V79 PolarHBondContact O-N 2.79Å; V32-V79 CarbonylContact C-O 3.57Å; V32-V79 WeakPolarHBondContact CA-O 3.45Å; V33-V79 PolarHBondContact N-O 3.49Å; V79-A105 HydrophobicContact CG2-CB 4.24Å; V79-L107 HydrophobicContact CG1-CD1 3.62Å; V79-L107 HydrophobicContact CG1-CG 3.91Å
80M98.3Very high95.2Very high1 Ų144.7 Ų44.71%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-92.6124172.9-175.270.4168.400109.9V33 I74 F82 L99 I104 A105 L106 L107V33-M80 HydrophobicContact CB-SD 3.93Å; V33-M80 HydrophobicContact CG1-SD 3.9Å; V33-M80 WeakPolarHBondContact O-CA 3.49Å; I74-M80 HydrophobicContact CD1-SD 4.18Å; M80-F82 HydrophobicContact CE-CD2 3.5Å; M80-F82 HydrophobicContact CE-CE2 4.07Å; M80-F82 HydrophobicContact CE-CG 4.48Å; M80-L99 HydrophobicContact CB-CD1 3.99Å; M80-L99 HydrophobicContact CB-CD2 4.39Å; M80-L99 HydrophobicContact CG-CD1 3.78Å; M80-I104 HydrophobicContact CB-CG2 4.09Å; M80-A105 PolarHBondContact N-O 3.33Å; M80-L106 HydrophobicContact CB-CD1 4.08Å; M80-L106 HydrophobicContact CG-CD1 3.83Å; M80-L106 CarbonylContact O-C 3.52Å; M80-L106 WeakPolarHBondContact O-CA 3.44Å; M80-L107 PolarHBondContact O-N 2.96Å
81L98.7Very high95.2Very high0 Ų044.5 Ų44.50%025%0.247CC..EExtended strand (participates in β ladder)trans-108.8105.4168.3175.362.2000109.2V32 V33 V34 S35 I47 L107 M109 L125 L154V32-L81 HydrophobicContact CG1-CB 4.24Å; V33-L81 PolarHBondContact O-N 2.82Å; V34-L81 CarbonylContact C-O 3.51Å; V34-L81 WeakPolarHBondContact CA-O 3.35Å; V34-L81 HydrophobicContact CG1-CD2 4.3Å; V34-L81 HydrophobicContact CG1-CG 4.47Å; V34-L81 HydrophobicContact CG2-CB 4.45Å; V34-L81 HydrophobicContact CG2-CD2 4.25Å; S35-L81 PolarHBondContact N-O 3.13Å; I47-L81 HydrophobicContact CG2-CD2 4.21Å; L81-L107 HydrophobicContact CD1-CB 3.77Å; L81-M109 HydrophobicContact CD1-CE 4.05Å; L81-M109 HydrophobicContact CD1-CG 4.04Å; L81-M109 HydrophobicContact CD1-SD 4.33Å; L81-M109 HydrophobicContact CD2-CE 3.66Å; L81-M109 HydrophobicContact CD2-SD 4.33Å; L81-M109 HydrophobicContact CG-CE 4.35Å; L81-L125 HydrophobicContact CD1-CD1 4.44Å; L81-L154 HydrophobicContact CD2-CD2 4.4Å
82F98.4Very high95.5Very high1 Ų143.3 Ų43.30%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-101.6128.5-179.1-153.5-68.6000111.3P63 M80 L92 I95 L106 L107 M109 L117P63-F82 HydrophobicContact CB-CE2 4.32Å; P63-F82 HydrophobicContact CB-CZ 4.03Å; P63-F82 HydrophobicContact CG-CE1 4.48Å; P63-F82 HydrophobicContact CG-CE2 3.97Å; P63-F82 HydrophobicContact CG-CZ 3.56Å; M80-F82 HydrophobicContact CE-CD2 3.5Å; M80-F82 HydrophobicContact CE-CE2 4.07Å; M80-F82 HydrophobicContact CE-CG 4.48Å; F82-L92 HydrophobicContact CD1-CD2 3.81Å; F82-L92 HydrophobicContact CD2-CD2 3.84Å; F82-L92 HydrophobicContact CE1-CD2 3.75Å; F82-L92 HydrophobicContact CE1-CG 4.27Å; F82-L92 HydrophobicContact CE2-CD2 3.8Å; F82-L92 HydrophobicContact CG-CD2 3.87Å; F82-L92 HydrophobicContact CZ-CD2 3.75Å; F82-L92 HydrophobicContact CZ-CG 4.29Å; F82-I95 HydrophobicContact CE2-CD1 3.79Å; F82-I95 HydrophobicContact CZ-CD1 4.47Å; F82-L106 HydrophobicContact CB-CD1 4Å; F82-L107 PolarHBondContact N-O 3.18Å; F82-M109 PolarHBondContact O-N 3.43Å; F82-L117 HydrophobicContact CB-CD1 3.82Å; F82-L117 HydrophobicContact CB-CD2 4.34Å; F82-L117 HydrophobicContact CD1-CD2 4.05Å; F82-L117 HydrophobicContact CG-CD1 4.33Å
83I98.5Very high95.7Very high1 Ų145.7 Ų45.71%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-107.9112.7-179.8-47.6177.6000109.2V34 S35 G36 I47 M109 T147V34-I83 HydrophobicContact CG1-CD1 3.93Å; V34-I83 HydrophobicContact CG1-CG1 4.42Å; S35-I83 PolarHBondContact O-N 3.3Å; G36-I83 WeakPolarHBondContact CA-O 3.04Å; I47-I83 HydrophobicContact CD1-CD1 3.87Å; I83-M109 WeakPolarHBondContact CA-O 3.31Å; I83-M109 HydrophobicContact CB-CB 4.37Å; I83-M109 HydrophobicContact CD1-SD 4.1Å; I83-M109 HydrophobicContact CG1-CB 4.14Å; I83-M109 HydrophobicContact CG1-SD 4Å; I83-M109 HydrophobicContact CG2-CB 4.11Å; I83-T147 HydrophobicContact CD1-CG2 4.18Å; I83-T147 HydrophobicContact CG2-CG2 3.62Å
84S97.7Very high95.9Very high11 Ų1145.7 Ų45.78%0.07724%0.241CC..  trans-150.9113.7173.5179.10000109.8S86 G87 M109 T110S84-S86 VanDerWaalsContact C-N 3.33Å; S84-S86 PolarHBondContact O-N 2.91Å; S84-G87 PolarHBondContact O-N 3.14Å; S84-G87 PolarHBondContact OG-N 3.49Å; S84-G87 VanDerWaalsContact OG-N 3.14Å; S84-M109 PolarHBondContact N-O 2.69Å; S84-T110 WeakPolarHBondContact O-CA 3.32Å; S84-T110 VanDerWaalsContact O-CB 3.24Å; S84-T110 WeakPolarHBondContact O-CB 3.38Å; S84-T110 PolarHBondContact O-OG1 3.05Å; S84-T110 VanDerWaalsContact O-OG1 3.1Å
85Y96.8Very high96Very high70 Ų7045.7 Ų45.728%0.27524%0.241SC..SBendtrans-62-40.2-177.4-173.8-98.8000112.7G87 T110 G111 I127 V129Y85-G87 VanDerWaalsContact C-N 3.32Å; Y85-T110 PolarHBondContact O-OG1 2.95Å; Y85-G111 PolarHBondContact O-N 3.4Å; Y85-I127 HydrophobicContact CD2-CD1 4.3Å; Y85-I127 HydrophobicContact CD2-CG1 4.45Å; Y85-V129 HydrophobicContact CE2-CG2 4.29Å; Y85-V129 WeakPolarHBondContact OH-CG2 3.47Å; Y85-V129 PolarHBondContact OH-N 3.27Å; Y85-V129 VanDerWaalsContact OH-N 3.07Å; Y85-V129 PolarHBondContact OH-O 2.62Å
86S95.5Very high96.1Very high57 Ų5742.2 Ų42.240%0.39923%0.225SC..SBendtrans-76.7-23.3174.4660000112.8S84 G88 S115S84-S86 VanDerWaalsContact C-N 3.33Å; S84-S86 PolarHBondContact O-N 2.91Å; S86-G88 PolarHBondContact O-N 3.35Å; S86-G88 PolarHBondContact OG-N 3.01Å; S86-S115 WeakPolarHBondContact O-CB 3.42Å
87G95.8Very high96.2Very high0 Ų040 Ų400%021%0.209CC..SBendtrans60.221-175.400000115S84 Y85 S115 P116 L117S84-G87 PolarHBondContact O-N 3.14Å; S84-G87 PolarHBondContact OG-N 3.49Å; S84-G87 VanDerWaalsContact OG-N 3.14Å; Y85-G87 VanDerWaalsContact C-N 3.32Å; G87-S115 VanDerWaalsContact CA-OG 3.23Å; G87-S115 WeakPolarHBondContact CA-OG 3.19Å; G87-S115 WeakPolarHBondContact O-CB 3.44Å; G87-S115 PolarHBondContact O-OG 3.01Å; G87-P116 WeakPolarHBondContact O-CD 3.35Å; G87-L117 WeakPolarHBondContact O-CB 3.38Å; G87-L117 PolarHBondContact O-N 2.75Å
88G94.1Very high96Very high43 Ų4339 Ų3944%0.44321%0.205SC..  trans-138.638.7-179.600000112.8S86S86-G88 PolarHBondContact O-N 3.35Å; S86-G88 PolarHBondContact OG-N 3.01Å
89A91.5Very high95.9Very high17 Ų1739 Ų3914%0.1421%0.205CC..  trans-63.2139.6169.700000109.8I37 E91 L92I37-A89 HydrophobicContact CD1-CB 4.22Å; A89-E91 PolarHBondContact O-N 3.29Å; A89-E91 VanDerWaalsContact O-N 3.17Å; A89-L92 HydrophobicContact CB-CD1 4.21Å; A89-L92 HydrophobicContact CB-CG 4.28Å; A89-L92 VanDerWaalsContact O-CB 3.22Å; A89-L92 WeakPolarHBondContact O-CB 3.35Å; A89-L92 WeakPolarHBondContact O-CG 3.49Å; A89-L92 PolarHBondContact O-N 2.86Å
90K92.6Very high95.8Very high173 Ų17344.5 Ų44.575%0.75223%0.23SC*.THydrogen-bonded Turntrans-60.1-30.7-174.6-66.9-176.4177.7-177.70112.8L92 D93K90-L92 PolarHBondContact O-N 3.16Å; K90-D93 WeakPolarHBondContact O-CB 3.39Å; K90-D93 PolarHBondContact O-N 3.34Å
91E94Very high95.6Very high52 Ų5250 Ų5024%0.24326%0.259CS..THydrogen-bonded Turntrans-62.6-27.1178-6378.9179.400111.7I37 P63 L67 A89 D93 L94 I95I37-E91 HydrophobicContact CD1-CG 4.1Å; I37-E91 WeakPolarHBondContact CD1-OE1 3.2Å; I37-E91 WeakPolarHBondContact CD1-OE2 3.37Å; P63-E91 HydrophobicContact CB-CB 3.91Å; P63-E91 HydrophobicContact CB-CG 3.97Å; L67-E91 HydrophobicContact CD1-CB 3.94Å; L67-E91 HydrophobicContact CD1-CG 3.93Å; A89-E91 PolarHBondContact O-N 3.29Å; A89-E91 VanDerWaalsContact O-N 3.17Å; E91-D93 VanDerWaalsContact C-N 3.28Å; E91-D93 PolarHBondContact O-N 2.84Å; E91-L94 PolarHBondContact O-N 3.35Å; E91-I95 HydrophobicContact CB-CD1 4.01Å; E91-I95 WeakPolarHBondContact O-CB 3.4Å; E91-I95 VanDerWaalsContact O-CG1 3.23Å; E91-I95 WeakPolarHBondContact O-CG1 3.38Å; E91-I95 PolarHBondContact O-N 3.45Å
92L94.6Very high95.4Very high1 Ų153.8 Ų53.81%0.00528%0.276CS..Hα-helixtrans-63.7-33.8178.4-67.8168.6000112.5F82 A89 K90 L94 I95 I96 L117F82-L92 HydrophobicContact CD1-CD2 3.81Å; F82-L92 HydrophobicContact CD2-CD2 3.84Å; F82-L92 HydrophobicContact CE1-CD2 3.75Å; F82-L92 HydrophobicContact CE1-CG 4.27Å; F82-L92 HydrophobicContact CE2-CD2 3.8Å; F82-L92 HydrophobicContact CG-CD2 3.87Å; F82-L92 HydrophobicContact CZ-CD2 3.75Å; F82-L92 HydrophobicContact CZ-CG 4.29Å; A89-L92 HydrophobicContact CB-CD1 4.21Å; A89-L92 HydrophobicContact CB-CG 4.28Å; A89-L92 VanDerWaalsContact O-CB 3.22Å; A89-L92 WeakPolarHBondContact O-CB 3.35Å; A89-L92 WeakPolarHBondContact O-CG 3.49Å; A89-L92 PolarHBondContact O-N 2.86Å; K90-L92 PolarHBondContact O-N 3.16Å; L92-L94 PolarHBondContact O-N 3.06Å; L92-I95 PolarHBondContact O-N 2.83Å; L92-I96 HydrophobicContact CB-CD1 3.96Å; L92-I96 HydrophobicContact CB-CG1 4.39Å; L92-I96 HydrophobicContact CD2-CD1 4.28Å; L92-I96 HydrophobicContact CD2-CG1 4.36Å; L92-I96 WeakPolarHBondContact O-CB 3.47Å; L92-I96 WeakPolarHBondContact O-CG1 3.41Å; L92-I96 PolarHBondContact O-N 3.2Å; L92-L117 HydrophobicContact CD1-CB 3.8Å; L92-L117 HydrophobicContact CD2-CD1 4.08Å
93D95Very high95.3Very high112 Ų11258.2 Ų58.260%0.59931%0.307SS*.Hα-helixtrans-60.8-28.3179.4-61.4-25.1000111.6K90 E91 P97K90-D93 WeakPolarHBondContact O-CB 3.39Å; K90-D93 PolarHBondContact O-N 3.34Å; E91-D93 VanDerWaalsContact C-N 3.28Å; E91-D93 PolarHBondContact O-N 2.84Å; D93-P97 WeakPolarHBondContact O-CD 3.43Å; D93-P97 WeakPolarHBondContact O-CG 3.05Å
94L95.1Very high95.3Very high96 Ų9658.6 Ų58.650%0.50331%0.309SS..Hα-helixtrans-98.2-32.3177.8-64176.9000112.7L67 E91 L92 R98L67-L94 HydrophobicContact CD1-CB 4.27Å; L67-L94 HydrophobicContact CD1-CD1 4.01Å; L67-L94 HydrophobicContact CD2-CB 3.47Å; L67-L94 VanDerWaalsContact CD2-CB 3.47Å; L67-L94 HydrophobicContact CD2-CD1 4.2Å; E91-L94 PolarHBondContact O-N 3.35Å; L92-L94 PolarHBondContact O-N 3.06Å; L94-R98 WeakPolarHBondContact O-CG 3.49Å
95I95.7Very high95.3Very high1 Ų158.7 Ų58.71%0.00531%0.31CS..Hα-helixtrans-75.8-48.7-177.9-70.3170.9000111.5P63 A66 L67 F82 E91 L92 R98 L99P63-I95 HydrophobicContact CB-CD1 3.99Å; A66-I95 HydrophobicContact CB-CD1 4.39Å; L67-I95 HydrophobicContact CD2-CG1 3.83Å; L67-I95 HydrophobicContact CG-CG1 4.18Å; F82-I95 HydrophobicContact CE2-CD1 3.79Å; F82-I95 HydrophobicContact CZ-CD1 4.47Å; E91-I95 HydrophobicContact CB-CD1 4.01Å; E91-I95 WeakPolarHBondContact O-CB 3.4Å; E91-I95 VanDerWaalsContact O-CG1 3.23Å; E91-I95 WeakPolarHBondContact O-CG1 3.38Å; E91-I95 PolarHBondContact O-N 3.45Å; L92-I95 PolarHBondContact O-N 2.83Å; I95-R98 WeakPolarHBondContact O-CB 3.48Å; I95-R98 PolarHBondContact O-N 3.13Å; I95-R98 VanDerWaalsContact O-N 3.07Å; I95-L99 HydrophobicContact CG2-CD1 3.75Å; I95-L99 HydrophobicContact CG2-CG 4Å; I95-L99 WeakPolarHBondContact O-CG 3.27Å; I95-L99 PolarHBondContact O-N 2.96Å; I95-L99 VanDerWaalsContact O-N 3.08Å
96I96.9Very high95.4Very high20 Ų2055.8 Ų55.810%0.10330%0.299CS..Hα-helixtrans-56-50.3-173.5-70.3169.3000111.7L92 R98 L99 E100 L106 A120L92-I96 HydrophobicContact CB-CD1 3.96Å; L92-I96 HydrophobicContact CB-CG1 4.39Å; L92-I96 HydrophobicContact CD2-CD1 4.28Å; L92-I96 HydrophobicContact CD2-CG1 4.36Å; L92-I96 WeakPolarHBondContact O-CB 3.47Å; L92-I96 WeakPolarHBondContact O-CG1 3.41Å; L92-I96 PolarHBondContact O-N 3.2Å; I96-R98 PolarHBondContact O-N 3Å; I96-L99 WeakPolarHBondContact O-CB 3.48Å; I96-L99 PolarHBondContact O-N 3.18Å; I96-E100 HydrophobicContact CG2-CG 4.37Å; I96-E100 WeakPolarHBondContact O-CG 3.4Å; I96-E100 PolarHBondContact O-N 3.36Å; I96-L106 HydrophobicContact CG1-CD2 4.12Å; I96-A120 HydrophobicContact CD1-CB 3.8Å; I96-A120 HydrophobicContact CG1-CB 4.28Å; I96-A120 HydrophobicContact CG2-CB 3.77Å
97P96.2Very high95.5Very high41 Ų4153 Ų5327%0.26628%0.28SS..Hα-helixtrans-58.8-35.5179-26.236.1000113.1D93 E100 D101D93-P97 WeakPolarHBondContact O-CD 3.43Å; D93-P97 WeakPolarHBondContact O-CG 3.05Å; P97-E100 PolarHBondContact O-N 3.32Å; P97-D101 WeakPolarHBondContact O-CB 3.12Å; P97-D101 PolarHBondContact O-N 2.9Å
98R94.6Very high95.6Very high113 Ų11353 Ų5343%0.42628%0.28SS..Hα-helixtrans-69.9-34.2178-62.4-61.988.673-2.6112.7L71 L94 I95 I96 D101 K102L71-R98 HydrophobicContact CD1-CB 4.27Å; L71-R98 HydrophobicContact CD1-CG 4.23Å; L94-R98 WeakPolarHBondContact O-CG 3.49Å; I95-R98 WeakPolarHBondContact O-CB 3.48Å; I95-R98 PolarHBondContact O-N 3.13Å; I95-R98 VanDerWaalsContact O-N 3.07Å; I96-R98 PolarHBondContact O-N 3Å; R98-D101 IonicContact CZ-OD2 3.43Å; R98-D101 IonicContact NE-OD2 3.21Å; R98-D101 PolarHBondContact NE-OD2 3.47Å; R98-D101 IonicContact NH2-OD2 3.05Å; R98-D101 PolarHBondContact NH2-OD2 3.19Å; R98-K102 PolarHBondContact O-N 3.08Å
99L96Very high95.9Very high4 Ų451 Ų512%0.02126%0.259CS..Hα-helixtrans-68.9-41.2174.9-62178.8000110.6M80 I95 I96 K102 S103 I104 L106M80-L99 HydrophobicContact CB-CD1 3.99Å; M80-L99 HydrophobicContact CB-CD2 4.39Å; M80-L99 HydrophobicContact CG-CD1 3.78Å; I95-L99 HydrophobicContact CG2-CD1 3.75Å; I95-L99 HydrophobicContact CG2-CG 4Å; I95-L99 WeakPolarHBondContact O-CG 3.27Å; I95-L99 PolarHBondContact O-N 2.96Å; I95-L99 VanDerWaalsContact O-N 3.08Å; I96-L99 WeakPolarHBondContact O-CB 3.48Å; I96-L99 PolarHBondContact O-N 3.18Å; L99-K102 CarbonylContact O-C 3.49Å; L99-K102 PolarHBondContact O-N 2.81Å; L99-S103 PolarHBondContact O-N 2.9Å; L99-I104 HydrophobicContact CB-CB 4.28Å; L99-I104 HydrophobicContact CD2-CB 4.08Å; L99-I104 HydrophobicContact CD2-CD1 3.71Å; L99-I104 HydrophobicContact CD2-CG2 4.03Å; L99-I104 PolarHBondContact O-N 2.96Å; L99-L106 HydrophobicContact CD1-CB 4.5Å; L99-L106 HydrophobicContact CD1-CD1 4Å; L99-L106 HydrophobicContact CD1-CD2 4.44Å
100E95.9Very high96.2Very high121 Ų12150.2 Ų50.257%0.56525%0.253SS*.Hα-helixtrans-62.4-47.6174.7-69.2174.8170.900111.6I96 P97 K102 S103I96-E100 HydrophobicContact CG2-CG 4.37Å; I96-E100 WeakPolarHBondContact O-CG 3.4Å; I96-E100 PolarHBondContact O-N 3.36Å; P97-E100 PolarHBondContact O-N 3.32Å; E100-K102 PolarHBondContact O-N 3.49Å; E100-K102 VanDerWaalsContact O-N 3.17Å; E100-S103 PolarHBondContact O-N 2.99Å
101D95Very high96.4Very high115 Ų11542.5 Ų42.562%0.61522%0.222SC*.Hα-helixtrans-53.6-37.4176.2-69.8-29000111.6P97 R98P97-D101 WeakPolarHBondContact O-CB 3.12Å; P97-D101 PolarHBondContact O-N 2.9Å; R98-D101 IonicContact CZ-OD2 3.43Å; R98-D101 IonicContact NE-OD2 3.21Å; R98-D101 PolarHBondContact NE-OD2 3.47Å; R98-D101 IonicContact NH2-OD2 3.05Å; R98-D101 PolarHBondContact NH2-OD2 3.19Å
102K94.5Very high96.5Very high81 Ų8145.5 Ų45.535%0.35223%0.234SC..THydrogen-bonded Turntrans-92-0178.4-70.2-176.7171.4-171.50114.1L71 I74 S76 R98 L99 E100 I104L71-K102 PolarHBondContact O-NZ 2.92Å; I74-K102 PolarHBondContact O-NZ 3.24Å; S76-K102 WeakPolarHBondContact CB-O 3.36Å; R98-K102 PolarHBondContact O-N 3.08Å; L99-K102 CarbonylContact O-C 3.49Å; L99-K102 PolarHBondContact O-N 2.81Å; E100-K102 PolarHBondContact O-N 3.49Å; E100-K102 VanDerWaalsContact O-N 3.17Å; K102-I104 HydrophobicContact CB-CD1 3.62Å; K102-I104 HydrophobicContact CB-CG1 3.77Å; K102-I104 HydrophobicContact CD-CD1 3.7Å; K102-I104 HydrophobicContact CG-CD1 4.33Å; K102-I104 PolarHBondContact O-N 3.31Å
103S95.5Very high96.6Very high94 Ų9448 Ų4866%0.65725%0.251SS*.THydrogen-bonded Turntrans55.128.6-174.4-60.90000114.7L99 E100L99-S103 PolarHBondContact O-N 2.9Å; E100-S103 PolarHBondContact O-N 2.99Å
104I97.4Very high96.7Very high9 Ų948.3 Ų48.35%0.04626%0.257CS..PPolyproline II helixtrans-70.9133.3178.4-65.6162.8000109.1I74 E75 M80 L99 K102 L106I74-I104 HydrophobicContact CB-CD1 4.18Å; I74-I104 HydrophobicContact CG2-CD1 3.56Å; I74-I104 HydrophobicContact CG2-CG1 4.39Å; I74-I104 HydrophobicContact CG2-CG2 4.39Å; E75-I104 WeakPolarHBondContact O-CG1 3.48Å; M80-I104 HydrophobicContact CB-CG2 4.09Å; L99-I104 HydrophobicContact CB-CB 4.28Å; L99-I104 HydrophobicContact CD2-CB 4.08Å; L99-I104 HydrophobicContact CD2-CD1 3.71Å; L99-I104 HydrophobicContact CD2-CG2 4.03Å; L99-I104 PolarHBondContact O-N 2.96Å; K102-I104 HydrophobicContact CB-CD1 3.62Å; K102-I104 HydrophobicContact CB-CG1 3.77Å; K102-I104 HydrophobicContact CD-CD1 3.7Å; K102-I104 HydrophobicContact CG-CD1 4.33Å; K102-I104 PolarHBondContact O-N 3.31Å; I104-L106 PolarHBondContact O-N 3.27Å
105A98Very high96.9Very high12 Ų1244.1 Ų44.110%0.09924%0.236CC..EExtended strand (participates in β ladder)trans-70119.617600000110.6I24 V79 M80 K122I24-A105 HydrophobicContact CG2-CB 3.97Å; V79-A105 HydrophobicContact CG2-CB 4.24Å; M80-A105 PolarHBondContact N-O 3.33Å; A105-K122 HydrophobicContact CB-CD 3.96Å
106L98.6Very high97Very high9 Ų947.4 Ų47.45%0.04726%0.257CS..EExtended strand (participates in β ladder)trans-97.3127.4174.9178.260.4000110.9M80 F82 I96 L99 I104 L117 A120 A121 K122M80-L106 HydrophobicContact CB-CD1 4.08Å; M80-L106 HydrophobicContact CG-CD1 3.83Å; M80-L106 CarbonylContact O-C 3.52Å; M80-L106 WeakPolarHBondContact O-CA 3.44Å; F82-L106 HydrophobicContact CB-CD1 4Å; I96-L106 HydrophobicContact CG1-CD2 4.12Å; L99-L106 HydrophobicContact CD1-CB 4.5Å; L99-L106 HydrophobicContact CD1-CD1 4Å; L99-L106 HydrophobicContact CD1-CD2 4.44Å; I104-L106 PolarHBondContact O-N 3.27Å; L106-L117 HydrophobicContact CD1-CD1 4.26Å; L106-L117 HydrophobicContact CD2-CD1 4.14Å; L106-L117 HydrophobicContact CG-CD1 4.44Å; L106-A120 HydrophobicContact CD2-CB 4.03Å; L106-A121 HydrophobicContact CG-CB 4.27Å; L106-A121 CarbonylContact O-C 3.53Å; L106-A121 WeakPolarHBondContact O-CA 3.39Å; L106-K122 PolarHBondContact O-N 3.27Å
107L98.8Very high97Very high0 Ų046.5 Ų46.50%025%0.252CS..EExtended strand (participates in β ladder)trans-112.2139.9169-57.4177.7000108.8A21 I24 I25 V79 M80 L81 F82 A123A21-L107 HydrophobicContact CB-CD1 4.19Å; A21-L107 HydrophobicContact CB-CD2 4.09Å; I24-L107 HydrophobicContact CB-CD2 4.3Å; I24-L107 HydrophobicContact CD1-CD2 3.71Å; I24-L107 HydrophobicContact CG2-CD1 4.29Å; I24-L107 HydrophobicContact CG2-CD2 4.17Å; I24-L107 HydrophobicContact CG2-CG 4.42Å; I25-L107 HydrophobicContact CD1-CD1 3.88Å; I25-L107 HydrophobicContact CG1-CD1 3.74Å; V79-L107 HydrophobicContact CG1-CD1 3.62Å; V79-L107 HydrophobicContact CG1-CG 3.91Å; M80-L107 PolarHBondContact O-N 2.96Å; L81-L107 HydrophobicContact CD1-CB 3.77Å; F82-L107 PolarHBondContact N-O 3.18Å; L107-A123 HydrophobicContact CD2-CB 3.86Å
108A98.6Very high97.1Very high0 Ų044.8 Ų44.80%024%0.243CC..EExtended strand (participates in β ladder)trans-111.5132.5179.900000111.5T110 L117 A121 A123 V124 L125A108-T110 HydrophobicContact CB-CG2 4.29Å; A108-L117 HydrophobicContact CB-CD1 3.94Å; A108-L117 HydrophobicContact CB-CD2 4.12Å; A108-L117 HydrophobicContact CB-CG 3.63Å; A108-A121 HydrophobicContact CB-CB 3.53Å; A108-A123 PolarHBondContact N-O 2.86Å; A108-V124 HydrophobicContact CB-CG2 4.41Å; A108-L125 WeakPolarHBondContact O-CB 3.39Å; A108-L125 PolarHBondContact O-N 3.16Å
109M98.5Very high97.3Very high0 Ų045.9 Ų45.90%026%0.256CS..EExtended strand (participates in β ladder)trans-106.5108.6155.5-75.9173.8-172.500108.3I47 L81 F82 I83 S84 L125 I127 T147 M150 L154I47-M109 HydrophobicContact CD1-CE 4.22Å; I47-M109 HydrophobicContact CD1-SD 3.97Å; L81-M109 HydrophobicContact CD1-CE 4.05Å; L81-M109 HydrophobicContact CD1-CG 4.04Å; L81-M109 HydrophobicContact CD1-SD 4.33Å; L81-M109 HydrophobicContact CD2-CE 3.66Å; L81-M109 HydrophobicContact CD2-SD 4.33Å; L81-M109 HydrophobicContact CG-CE 4.35Å; F82-M109 PolarHBondContact O-N 3.43Å; I83-M109 WeakPolarHBondContact CA-O 3.31Å; I83-M109 HydrophobicContact CB-CB 4.37Å; I83-M109 HydrophobicContact CD1-SD 4.1Å; I83-M109 HydrophobicContact CG1-CB 4.14Å; I83-M109 HydrophobicContact CG1-SD 4Å; I83-M109 HydrophobicContact CG2-CB 4.11Å; S84-M109 PolarHBondContact N-O 2.69Å; M109-L125 WeakPolarHBondContact CA-O 3.47Å; M109-L125 HydrophobicContact CE-CD1 3.56Å; M109-L125 HydrophobicContact CG-CB 3.77Å; M109-L125 HydrophobicContact CG-CD1 3.8Å; M109-L125 HydrophobicContact CG-CG 4.37Å; M109-I127 HydrophobicContact CB-CD1 4.29Å; M109-T147 HydrophobicContact SD-CG2 4.28Å; M109-M150 HydrophobicContact CE-CG 4.3Å; M109-L154 HydrophobicContact CE-CD2 4Å
110T98.2Very high97.4Very high0 Ų047.1 Ų47.10%027%0.267CS..EExtended strand (participates in β ladder)trans-144.3151.7-174.91780000111.7S84 Y85 A108 K112 V124 L125 I127S84-T110 WeakPolarHBondContact O-CA 3.32Å; S84-T110 VanDerWaalsContact O-CB 3.24Å; S84-T110 WeakPolarHBondContact O-CB 3.38Å; S84-T110 PolarHBondContact O-OG1 3.05Å; S84-T110 VanDerWaalsContact O-OG1 3.1Å; Y85-T110 PolarHBondContact O-OG1 2.95Å; A108-T110 HydrophobicContact CB-CG2 4.29Å; T110-K112 VanDerWaalsContact C-N 3.3Å; T110-K112 PolarHBondContact OG1-N 3.44Å; T110-K112 PolarHBondContact OG1-O 3.23Å; T110-V124 HydrophobicContact CG2-CG1 3.69Å; T110-L125 PolarHBondContact N-O 3.19Å; T110-I127 WeakPolarHBondContact O-CG1 3.42Å; T110-I127 PolarHBondContact O-N 3.38Å
111G97.1Very high97.5Very high11 Ų1142.2 Ų42.211%0.11325%0.247CC..SBendtrans-88.4-0169.600000113Y85 S128Y85-G111 PolarHBondContact O-N 3.4Å; G111-S128 WeakPolarHBondContact O-CB 3.33Å
112K96.9Very high97.7Very high115 Ų11542.5 Ų42.550%0.524%0.243SC..  trans-132.187179.1-63.7-170-175.4-174.10109.7T110 T114 S115T110-K112 VanDerWaalsContact C-N 3.3Å; T110-K112 PolarHBondContact OG1-N 3.44Å; T110-K112 PolarHBondContact OG1-O 3.23Å; K112-T114 PolarHBondContact O-N 3.31Å; K112-T114 VanDerWaalsContact O-N 3.1Å; K112-S115 WeakPolarHBondContact O-CB 3.43Å; K112-S115 PolarHBondContact O-N 2.93Å; K112-S115 PolarHBondContact O-OG 3.48Å
113P96.7Very high97.9Very high55 Ų5538.7 Ų38.736%0.35723%0.226SC..THydrogen-bonded Turntrans-58.1-25-177.4-28.636.8000114.9G118 V124 D126P113-G118 CarbonylContact O-C 3.45Å; P113-G118 WeakPolarHBondContact O-CA 3.44Å; P113-V124 HydrophobicContact CB-CG1 4.04Å; P113-V124 HydrophobicContact CG-CG1 4.35Å; P113-D126 HydrophobicContact CG-CB 4.37Å
114T97.6Very high98Very high117 Ų11735.3 Ų35.372%0.71820%0.202SC*.THydrogen-bonded Turntrans-92.811.6177.863.80000113.7K112K112-T114 PolarHBondContact O-N 3.31Å; K112-T114 VanDerWaalsContact O-N 3.1Å
115S97.8Very high98.1Very high9 Ų935 Ų356%0.06320%0.2CC..SBendtrans-73.6167.8175.675.40000111.6S86 G87 K112 L117 G118 L119S86-S115 WeakPolarHBondContact O-CB 3.42Å; G87-S115 VanDerWaalsContact CA-OG 3.23Å; G87-S115 WeakPolarHBondContact CA-OG 3.19Å; G87-S115 WeakPolarHBondContact O-CB 3.44Å; G87-S115 PolarHBondContact O-OG 3.01Å; K112-S115 WeakPolarHBondContact O-CB 3.43Å; K112-S115 PolarHBondContact O-N 2.93Å; K112-S115 PolarHBondContact O-OG 3.48Å; S115-L117 VanDerWaalsContact C-N 3.27Å; S115-L117 PolarHBondContact O-N 2.93Å; S115-L117 PolarHBondContact OG-N 2.92Å; S115-G118 PolarHBondContact O-N 2.94Å; S115-G118 PolarHBondContact OG-N 2.68Å; S115-L119 WeakPolarHBondContact O-CG 3.27Å; S115-L119 PolarHBondContact O-N 2.85Å
116P97.7Very high98.1Very high70 Ų7036.2 Ų36.246%0.45521%0.205SC..Hα-helixtrans-49.3-45.4172.7-29.736000113.8G87 A120G87-P116 WeakPolarHBondContact O-CD 3.35Å; P116-A120 WeakPolarHBondContact O-CB 3.26Å; P116-A120 PolarHBondContact O-N 3.43Å; P116-A120 VanDerWaalsContact O-N 3.12Å
117L98.3Very high98Very high0 Ų035.8 Ų35.80%020%0.203CC..Hα-helixtrans-59.4-47.6174.1175.457.2000113.3F82 G87 L92 L106 A108 S115 A120 A121F82-L117 HydrophobicContact CB-CD1 3.82Å; F82-L117 HydrophobicContact CB-CD2 4.34Å; F82-L117 HydrophobicContact CD1-CD2 4.05Å; F82-L117 HydrophobicContact CG-CD1 4.33Å; G87-L117 WeakPolarHBondContact O-CB 3.38Å; G87-L117 PolarHBondContact O-N 2.75Å; L92-L117 HydrophobicContact CD1-CB 3.8Å; L92-L117 HydrophobicContact CD2-CD1 4.08Å; L106-L117 HydrophobicContact CD1-CD1 4.26Å; L106-L117 HydrophobicContact CD2-CD1 4.14Å; L106-L117 HydrophobicContact CG-CD1 4.44Å; A108-L117 HydrophobicContact CB-CD1 3.94Å; A108-L117 HydrophobicContact CB-CD2 4.12Å; A108-L117 HydrophobicContact CB-CG 3.63Å; S115-L117 VanDerWaalsContact C-N 3.27Å; S115-L117 PolarHBondContact O-N 2.93Å; S115-L117 PolarHBondContact OG-N 2.92Å; L117-A120 PolarHBondContact O-N 3.41Å; L117-A121 WeakPolarHBondContact O-CB 3.46Å; L117-A121 PolarHBondContact O-N 3.28Å
118G98.1Very high97.9Very high6 Ų637 Ų376%0.06221%0.211CC..Hα-helixtrans-67.2-38.3-177.200000112.5P113 S115 A121 V124P113-G118 CarbonylContact O-C 3.45Å; P113-G118 WeakPolarHBondContact O-CA 3.44Å; S115-G118 PolarHBondContact O-N 2.94Å; S115-G118 PolarHBondContact OG-N 2.68Å; G118-A121 PolarHBondContact O-N 3.42Å; G118-V124 WeakPolarHBondContact O-CG2 3.35Å
119L98.1Very high97.7Very high135 Ų13537.8 Ų37.871%0.70722%0.216SC*.Hα-helixtrans-69.3-30.9177.5-66.3174.5000113.3S115S115-L119 WeakPolarHBondContact O-CG 3.27Å; S115-L119 PolarHBondContact O-N 2.85Å
120A97.9Very high97.5Very high31 Ų3143.8 Ų43.826%0.25624%0.244SC..Hα-helixtrans-84.1-16.3178.100000113.6I96 L106 P116 L117I96-A120 HydrophobicContact CD1-CB 3.8Å; I96-A120 HydrophobicContact CG1-CB 4.28Å; I96-A120 HydrophobicContact CG2-CB 3.77Å; L106-A120 HydrophobicContact CD2-CB 4.03Å; P116-A120 WeakPolarHBondContact O-CB 3.26Å; P116-A120 PolarHBondContact O-N 3.43Å; P116-A120 VanDerWaalsContact O-N 3.12Å; L117-A120 PolarHBondContact O-N 3.41Å
121A98.4Very high97.2Very high17 Ų1749.6 Ų49.614%0.1427%0.266CS..  trans-81.3145.4-175.500000112.5L106 A108 L117 G118 A123 V124L106-A121 HydrophobicContact CG-CB 4.27Å; L106-A121 CarbonylContact O-C 3.53Å; L106-A121 WeakPolarHBondContact O-CA 3.39Å; A108-A121 HydrophobicContact CB-CB 3.53Å; L117-A121 WeakPolarHBondContact O-CB 3.46Å; L117-A121 PolarHBondContact O-N 3.28Å; G118-A121 PolarHBondContact O-N 3.42Å; A121-A123 VanDerWaalsContact C-N 3.28Å; A121-V124 HydrophobicContact CB-CG2 4.35Å
122K98.4Very high97.1Very high121 Ų12150 Ų5053%0.52627%0.265SS..SBendtrans-70.2-26.2171.6-67.8-172.2178.5177.60112.5R20 I24 A105 L106R20-K122 WeakPolarHBondContact CD-O 3.48Å; I24-K122 HydrophobicContact CD1-CB 3.93Å; I24-K122 HydrophobicContact CD1-CD 4.5Å; A105-K122 HydrophobicContact CB-CD 3.96Å; L106-K122 PolarHBondContact O-N 3.27Å
123A98.5Very high96.8Very high1 Ų146 Ų461%0.00825%0.253CS..EExtended strand (participates in β ladder)trans-150.5143173.200000110.4D17 R20 A21 L107 A108 A121D17-A123 HydrophobicContact CB-CB 4.37Å; R20-A123 HydrophobicContact CB-CB 4.12Å; R20-A123 HydrophobicContact CG-CB 4.34Å; A21-A123 HydrophobicContact CB-CB 4.06Å; L107-A123 HydrophobicContact CD2-CB 3.86Å; A108-A123 PolarHBondContact N-O 2.86Å; A121-A123 VanDerWaalsContact C-N 3.28Å
124V98.7Very high96.4Very high23 Ų2344.7 Ų44.714%0.13925%0.245CC..EExtended strand (participates in β ladder)trans-113.7119.5-179-176.50000111.1D17 A108 T110 P113 G118 A121D17-V124 WeakPolarHBondContact CB-O 3.43Å; D17-V124 PolarHBondContact OD2-N 3.11Å; A108-V124 HydrophobicContact CB-CG2 4.41Å; T110-V124 HydrophobicContact CG2-CG1 3.69Å; P113-V124 HydrophobicContact CB-CG1 4.04Å; P113-V124 HydrophobicContact CG-CG1 4.35Å; G118-V124 WeakPolarHBondContact O-CG2 3.35Å; A121-V124 HydrophobicContact CB-CG2 4.35Å
125L98.6Very high95.7Very high2 Ų244.8 Ų44.81%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-92.5102.4171.3-58.4178.2000108.8F18 A21 L81 A108 M109 T110 I127 M150 L154F18-L125 HydrophobicContact CB-CD2 4.17Å; F18-L125 HydrophobicContact CD2-CD2 3.94Å; F18-L125 HydrophobicContact CG-CD2 4.5Å; A21-L125 HydrophobicContact CB-CD1 4.32Å; A21-L125 HydrophobicContact CB-CD2 3.87Å; A21-L125 HydrophobicContact CB-CG 4.25Å; L81-L125 HydrophobicContact CD1-CD1 4.44Å; A108-L125 WeakPolarHBondContact O-CB 3.39Å; A108-L125 PolarHBondContact O-N 3.16Å; M109-L125 WeakPolarHBondContact CA-O 3.47Å; M109-L125 HydrophobicContact CE-CD1 3.56Å; M109-L125 HydrophobicContact CG-CB 3.77Å; M109-L125 HydrophobicContact CG-CD1 3.8Å; M109-L125 HydrophobicContact CG-CG 4.37Å; T110-L125 PolarHBondContact N-O 3.19Å; L125-I127 PolarHBondContact O-N 3.02Å; L125-M150 HydrophobicContact CB-CG 3.92Å; L125-M150 HydrophobicContact CB-SD 4.15Å; L125-M150 HydrophobicContact CD1-CG 4.24Å; L125-M150 HydrophobicContact CD2-SD 4.12Å; L125-L154 HydrophobicContact CD1-CD2 3.75Å
126D98Very high95.1Very high39 Ų3950.9 Ų50.921%0.20928%0.277CS..EExtended strand (participates in β ladder)trans-76.6108.9-175.4-179.88.2000112.4R13 P113 S128R13-D126 WeakPolarHBondContact CD-O 3.45Å; R13-D126 IonicContact NE-OD2 3.11Å; R13-D126 PolarHBondContact NH1-O 3.07Å; R13-D126 IonicContact NH1-OD1 2.68Å; P113-D126 HydrophobicContact CG-CB 4.37Å; D126-S128 WeakPolarHBondContact OD1-CB 3.22Å; D126-S128 PolarHBondContact OD1-N 2.9Å; D126-S128 PolarHBondContact OD1-OG 2.9Å; D126-S128 PolarHBondContact OD2-OG 3.46Å
127I97.6Very high94.1Very high0 Ų053.1 Ų53.10%028%0.281CS..  trans-10717.6178.857.2162.3000112.5Y85 M109 T110 L125 N146 T147 M150Y85-I127 HydrophobicContact CD2-CD1 4.3Å; Y85-I127 HydrophobicContact CD2-CG1 4.45Å; M109-I127 HydrophobicContact CB-CD1 4.29Å; T110-I127 WeakPolarHBondContact O-CG1 3.42Å; T110-I127 PolarHBondContact O-N 3.38Å; L125-I127 PolarHBondContact O-N 3.02Å; I127-N146 HydrophobicContact CB-CB 4.39Å; I127-T147 HydrophobicContact CD1-CG2 4.41Å; I127-T147 WeakPolarHBondContact CD1-OG1 3.3Å; I127-M150 HydrophobicContact CG2-CB 3.92Å; I127-M150 HydrophobicContact CG2-CG 4.08Å
128S96.3Very high93.4Very high25 Ų2559.7 Ų59.718%0.17532%0.315CS..  trans-55.4151.2-179.558.40000112.6R13 G111 D126 N146R13-S128 PolarHBondContact NH1-O 3.11Å; R13-S128 PolarHBondContact NH1-OG 3.13Å; R13-S128 PolarHBondContact NH2-O 3Å; R13-S128 PolarHBondContact NH2-OG 2.88Å; G111-S128 WeakPolarHBondContact O-CB 3.33Å; D126-S128 WeakPolarHBondContact OD1-CB 3.22Å; D126-S128 PolarHBondContact OD1-N 2.9Å; D126-S128 PolarHBondContact OD1-OG 2.9Å; D126-S128 PolarHBondContact OD2-OG 3.46Å; S128-N146 PolarHBondContact O-ND2 3.34Å
129V95.1Very high92.9Very high17 Ų1761.5 Ų61.510%0.10333%0.33CS..  trans-131.5146.7171.5-64.90000108.5E6 Y85 E132 N146E6-V129 HydrophobicContact CB-CB 4.39Å; E6-V129 HydrophobicContact CB-CG1 3.97Å; E6-V129 HydrophobicContact CG-CB 4.02Å; E6-V129 HydrophobicContact CG-CG1 4.13Å; E6-V129 WeakPolarHBondContact OE2-CA 3.3Å; Y85-V129 HydrophobicContact CE2-CG2 4.29Å; Y85-V129 WeakPolarHBondContact OH-CG2 3.47Å; Y85-V129 PolarHBondContact OH-N 3.27Å; Y85-V129 VanDerWaalsContact OH-N 3.07Å; Y85-V129 PolarHBondContact OH-O 2.62Å; V129-E132 HydrophobicContact CG2-CG 4.47Å; V129-N146 WeakPolarHBondContact CG1-ND2 3.5Å
130E93.6Very high92.6Very high125 Ų12558 Ų5858%0.58432%0.315SS*.SBendtrans-71.7-40.2170.8-70.9178.6-174.200110.2E6 R9E6-E130 WeakPolarHBondContact OE1-CB 3.39Å; E6-E130 PolarHBondContact OE1-N 2.87Å; E6-E130 PolarHBondContact OE2-N 3.48Å; R9-E130 IonicContact CZ-OE1 3.52Å; R9-E130 VanDerWaalsContact CZ-OE1 3.27Å; R9-E130 IonicContact CZ-OE2 3.32Å; R9-E130 IonicContact NH1-OE1 2.94Å; R9-E130 PolarHBondContact NH1-OE1 2.96Å; R9-E130 IonicContact NH1-OE2 3.97Å; R9-E130 PolarHBondContact NH1-OE2 2.95Å; R9-E130 IonicContact NH2-OE1 3.24Å; R9-E130 PolarHBondContact NH2-OE1 3.34Å; R9-E130 VanDerWaalsContact NH2-OE1 3.08Å; R9-E130 IonicContact NH2-OE2 2.92Å; R9-E130 PolarHBondContact NH2-OE2 2.96Å
131R91.8Very high92.5Very high122 Ų12258.1 Ų58.146%0.4631%0.313SS..  trans-139.2141.3-177.5-72.8179.1-78.6-171.8-5.1113.1E6 S142E6-R131 PolarHBondContact OE1-N 3.18Å; E6-R131 VanDerWaalsContact OE1-N 3.15Å; R131-S142 WeakPolarHBondContact O-CB 3.42Å; R131-S142 PolarHBondContact O-OG 2.98Å
132E94.8Very high92.4Very high21 Ų2157.3 Ų57.310%0.09831%0.306CS..  trans-84.6150.6163.5-65.9-66.1176.900109.7V129 C134 T141 S142 S143V129-E132 HydrophobicContact CG2-CG 4.47Å; E132-C134 PolarHBondContact O-N 3.2Å; E132-T141 WeakPolarHBondContact OE2-CA 3.29Å; E132-T141 PolarHBondContact OE2-N 2.66Å; E132-T141 PolarHBondContact OE2-OG1 3.21Å; E132-S142 PolarHBondContact OE2-N 3.46Å; E132-S143 WeakPolarHBondContact OE1-CB 3.26Å; E132-S143 PolarHBondContact OE1-OG 3.22Å; E132-S143 PolarHBondContact OE2-N 3.32Å
133A91.5Very high92.3Very high30 Ų3051.8 Ų51.825%0.24828%0.283CS..SBendtrans-68.9-24.5174.500000112.5L2 E3 P135 T141L2-A133 HydrophobicContact CB-CB 4.31Å; L2-A133 HydrophobicContact CD1-CB 4.45Å; E3-A133 HydrophobicContact CG-CB 4.36Å; E3-A133 WeakPolarHBondContact OE1-CB 3.48Å; A133-P135 WeakPolarHBondContact O-CD 3.43Å; A133-T141 HydrophobicContact CB-CG2 4.37Å; A133-T141 WeakPolarHBondContact CB-OG1 3.49Å; A133-T141 PolarHBondContact N-OG1 2.97Å
134C86.9Confident92.2Very high28 Ų2852.9 Ų52.919%0.18929%0.289CS..SBendtrans-63.2120.7172.2-176.50000110.3E132 M136 H137 A139E132-C134 PolarHBondContact O-N 3.2Å; C134-M136 PolarHBondContact O-N 3.47Å; C134-M136 VanDerWaalsContact O-N 3.09Å; C134-H137 WeakPolarHBondContact O-CA 2.98Å; C134-H137 PolarHBondContact O-N 3.04Å; C134-A139 HydrophobicContact CB-CB 3.94Å
135P83.7Confident92.2Very high118 Ų11854.2 Ų54.277%0.76630%0.297SS*.THydrogen-bonded Turntrans-58-29.2179.1-25.934.8000113.6A133 H137A133-P135 WeakPolarHBondContact O-CD 3.43Å; P135-H137 VanDerWaalsContact C-N 3.33Å; P135-H137 PolarHBondContact O-CE1 2.99Å; P135-H137 VanDerWaalsContact O-CE1 3.29Å; P135-H137 PolarHBondContact O-ND1 3.21Å
136M84.7Confident92.1Very high138 Ų13854.1 Ų54.168%0.6830%0.297SS*.THydrogen-bonded Turntrans-84-6.8177.2-62.2-69-70.600113.2C134 L138C134-M136 PolarHBondContact O-N 3.47Å; C134-M136 VanDerWaalsContact O-N 3.09Å; M136-L138 HydrophobicContact CB-CB 4.39Å; M136-L138 HydrophobicContact CB-CD1 3.88Å; M136-L138 HydrophobicContact CB-CG 3.86Å; M136-L138 HydrophobicContact CE-CD1 4.42Å; M136-L138 WeakPolarHBondContact O-CG 3.44Å; M136-L138 PolarHBondContact O-N 2.64Å; M136-L138 VanDerWaalsContact O-N 3.1Å
137H78.2Confident92.1Very high117 Ų11752.4 Ų52.454%0.54229%0.288SS..SBendtrans59.319.4-177.7-52.654.1000113.6C134 P135C134-H137 WeakPolarHBondContact O-CA 2.98Å; C134-H137 PolarHBondContact O-N 3.04Å; P135-H137 VanDerWaalsContact C-N 3.33Å; P135-H137 PolarHBondContact O-CE1 2.99Å; P135-H137 VanDerWaalsContact O-CE1 3.29Å; P135-H137 PolarHBondContact O-ND1 3.21Å
138L82.1Confident92.2Very high137 Ų13755.1 Ų55.172%0.71730%0.302SS*.  trans-92.7-33.9-176.3-65.6176.4000112.9M136 P140M136-L138 HydrophobicContact CB-CB 4.39Å; M136-L138 HydrophobicContact CB-CD1 3.88Å; M136-L138 HydrophobicContact CB-CG 3.86Å; M136-L138 HydrophobicContact CE-CD1 4.42Å; M136-L138 WeakPolarHBondContact O-CG 3.44Å; M136-L138 PolarHBondContact O-N 2.64Å; M136-L138 VanDerWaalsContact O-N 3.1Å; L138-P140 WeakPolarHBondContact O-CD 3.43Å
139A87.4Confident92.3Very high44 Ų4457.9 Ų57.936%0.36431%0.313SS..SBendtrans-95.5121.5-176.500000110.1C134 T141C134-A139 HydrophobicContact CB-CB 3.94Å; A139-T141 PolarHBondContact O-N 3.26Å
140P93.5Very high92.4Very high61 Ų6157.1 Ų57.140%0.39631%0.308SS..  trans-59.6122.8170.3-23.534.7000110.4K39 L138 T144K39-P140 HydrophobicContact CB-CB 4.41Å; K39-P140 HydrophobicContact CB-CG 4.49Å; K39-P140 HydrophobicContact CG-CG 4.36Å; L138-P140 WeakPolarHBondContact O-CD 3.43Å; P140-T144 HydrophobicContact CB-CG2 3.61Å
141T95.2Very high92.7Very high34 Ų3451.1 Ų51.121%0.20928%0.281CS..SBendtrans-136.6-75.7-177.947.40000109E132 A133 A139 S143 T144 V145E132-T141 WeakPolarHBondContact OE2-CA 3.29Å; E132-T141 PolarHBondContact OE2-N 2.66Å; E132-T141 PolarHBondContact OE2-OG1 3.21Å; A133-T141 HydrophobicContact CB-CG2 4.37Å; A133-T141 WeakPolarHBondContact CB-OG1 3.49Å; A133-T141 PolarHBondContact N-OG1 2.97Å; A139-T141 PolarHBondContact O-N 3.26Å; T141-S143 VanDerWaalsContact C-N 3.33Å; T141-S143 PolarHBondContact O-N 3.36Å; T141-T144 PolarHBondContact O-N 3.38Å; T141-T144 PolarHBondContact O-OG1 2.9Å; T141-V145 WeakPolarHBondContact O-CG2 3.47Å; T141-V145 PolarHBondContact O-N 2.99Å
142S96.2Very high93Very high0 Ų047.5 Ų47.50%027%0.27CS..Hα-helixtrans-59.4-43.3175.6-51.20000111.2R131 E132 T144 V145 N146R131-S142 WeakPolarHBondContact O-CB 3.42Å; R131-S142 PolarHBondContact O-OG 2.98Å; E132-S142 PolarHBondContact OE2-N 3.46Å; S142-T144 VanDerWaalsContact C-N 3.31Å; S142-T144 PolarHBondContact O-N 3.02Å; S142-V145 PolarHBondContact O-N 3.5Å; S142-N146 PolarHBondContact O-N 2.55Å
143S96.3Very high93.1Very high5 Ų548.1 Ų48.14%0.03528%0.279CS..Hα-helixtrans-62.4-37.4178.153.40000112.5E132 T141 N146 T147E132-S143 WeakPolarHBondContact OE1-CB 3.26Å; E132-S143 PolarHBondContact OE1-OG 3.22Å; E132-S143 PolarHBondContact OE2-N 3.32Å; T141-S143 VanDerWaalsContact C-N 3.33Å; T141-S143 PolarHBondContact O-N 3.36Å; S143-N146 PolarHBondContact O-N 3.12Å; S143-T147 WeakPolarHBondContact O-CB 3.37Å; S143-T147 PolarHBondContact O-N 2.97Å; S143-T147 PolarHBondContact O-OG1 3.44Å
144T97Very high93.5Very high25 Ų2546.7 Ų46.715%0.15327%0.267CS..Hα-helixtrans-70-35.5176.253.10000112.6K39 I43 P140 T141 S142 T147 L148K39-T144 HydrophobicContact CB-CG2 3.87Å; I43-T144 HydrophobicContact CG1-CG2 4.45Å; P140-T144 HydrophobicContact CB-CG2 3.61Å; T141-T144 PolarHBondContact O-N 3.38Å; T141-T144 PolarHBondContact O-OG1 2.9Å; S142-T144 VanDerWaalsContact C-N 3.31Å; S142-T144 PolarHBondContact O-N 3.02Å; T144-T147 PolarHBondContact O-N 3.34Å; T144-L148 WeakPolarHBondContact O-CB 3.48Å; T144-L148 PolarHBondContact O-N 2.91Å
145V97.1Very high94Very high51 Ų5145.3 Ų45.331%0.30926%0.258SS..Hα-helixtrans-65.1-47.8173.2171.90000110.4E3 T141 S142 T147 L148 M149E3-V145 HydrophobicContact CB-CG2 4.26Å; E3-V145 HydrophobicContact CG-CG2 4.33Å; T141-V145 WeakPolarHBondContact O-CG2 3.47Å; T141-V145 PolarHBondContact O-N 2.99Å; S142-V145 PolarHBondContact O-N 3.5Å; V145-T147 VanDerWaalsContact C-N 3.31Å; V145-T147 PolarHBondContact O-N 2.88Å; V145-L148 PolarHBondContact O-N 3.49Å; V145-L148 VanDerWaalsContact O-N 3.16Å; V145-M149 HydrophobicContact CG1-CG 4.43Å; V145-M149 HydrophobicContact CG1-SD 3.91Å; V145-M149 WeakPolarHBondContact O-CG 3.39Å; V145-M149 PolarHBondContact O-N 2.78Å
146N97.7Very high94.7Very high0 Ų043.3 Ų43.30%024%0.239CC..Hα-helixtrans-60.5-40.5176.2-79.310.8000112A7 L10 I127 S128 V129 S142 S143 L148 M149 M150A7-N146 WeakPolarHBondContact CA-OD1 3.34Å; L10-N146 HydrophobicContact CD1-CB 4.18Å; I127-N146 HydrophobicContact CB-CB 4.39Å; S128-N146 PolarHBondContact O-ND2 3.34Å; V129-N146 WeakPolarHBondContact CG1-ND2 3.5Å; S142-N146 PolarHBondContact O-N 2.55Å; S143-N146 PolarHBondContact O-N 3.12Å; N146-L148 PolarHBondContact O-N 3.09Å; N146-M149 PolarHBondContact O-N 3.31Å; N146-M150 WeakPolarHBondContact O-CB 3.17Å; N146-M150 PolarHBondContact O-N 3.43Å
147T98.4Very high95.4Very high3 Ų338.1 Ų38.12%0.01822%0.218CC..Hα-helixtrans-59.9-46.1175.1-54.20000111.4I43 I47 I83 M109 I127 S143 T144 V145 M150 G151I43-T147 HydrophobicContact CB-CG2 4.17Å; I43-T147 HydrophobicContact CG2-CG2 3.64Å; I47-T147 HydrophobicContact CD1-CG2 4.27Å; I83-T147 HydrophobicContact CD1-CG2 4.18Å; I83-T147 HydrophobicContact CG2-CG2 3.62Å; M109-T147 HydrophobicContact SD-CG2 4.28Å; I127-T147 HydrophobicContact CD1-CG2 4.41Å; I127-T147 WeakPolarHBondContact CD1-OG1 3.3Å; S143-T147 WeakPolarHBondContact O-CB 3.37Å; S143-T147 PolarHBondContact O-N 2.97Å; S143-T147 PolarHBondContact O-OG1 3.44Å; T144-T147 PolarHBondContact O-N 3.34Å; V145-T147 VanDerWaalsContact C-N 3.31Å; V145-T147 PolarHBondContact O-N 2.88Å; T147-M150 PolarHBondContact O-N 3.14Å; T147-G151 PolarHBondContact O-N 3.44Å
148L98.4Very high96.3Very high56 Ų5632.6 Ų32.629%0.29319%0.193SC..Hα-helixtrans-63-49179.2176.160.1000111.3I43 K46 T144 V145 N146 M150 G151 D152I43-L148 HydrophobicContact CG2-CB 3.93Å; I43-L148 HydrophobicContact CG2-CD1 4.38Å; K46-L148 HydrophobicContact CD-CD1 3.48Å; K46-L148 VanDerWaalsContact CD-CD1 3.48Å; K46-L148 HydrophobicContact CG-CD1 4.13Å; T144-L148 WeakPolarHBondContact O-CB 3.48Å; T144-L148 PolarHBondContact O-N 2.91Å; V145-L148 PolarHBondContact O-N 3.49Å; V145-L148 VanDerWaalsContact O-N 3.16Å; N146-L148 PolarHBondContact O-N 3.09Å; L148-M150 VanDerWaalsContact C-N 3.35Å; L148-M150 PolarHBondContact O-N 2.91Å; L148-G151 PolarHBondContact O-N 3.38Å; L148-D152 PolarHBondContact O-N 2.86Å
149M98.2Very high97Very high84 Ų8428.3 Ų28.341%0.41417%0.17SC..Hα-helixtrans-62.5-41179.3-70.617967.300112.2A7 L10 V145 N146 D152 A153A7-M149 HydrophobicContact CB-CE 4.01Å; A7-M149 HydrophobicContact CB-SD 3.52Å; A7-M149 VanDerWaalsContact CB-SD 3.52Å; L10-M149 HydrophobicContact CD2-CB 3.5Å; L10-M149 VanDerWaalsContact CD2-CB 3.5Å; V145-M149 HydrophobicContact CG1-CG 4.43Å; V145-M149 HydrophobicContact CG1-SD 3.91Å; V145-M149 WeakPolarHBondContact O-CG 3.39Å; V145-M149 PolarHBondContact O-N 2.78Å; N146-M149 PolarHBondContact O-N 3.31Å; M149-D152 PolarHBondContact O-N 3.46Å; M149-A153 WeakPolarHBondContact O-CB 3.49Å; M149-A153 PolarHBondContact O-N 3.15Å
150M98.5Very high97.5Very high0 Ų033.9 Ų33.90%019%0.188CC..Hα-helixtrans-64-43.9176.5-178.262.47300111.4L10 L14 F18 M109 L125 I127 N146 T147 L148 A153 L154L10-M150 HydrophobicContact CD1-CE 3.72Å; L10-M150 HydrophobicContact CD2-CB 4.42Å; L10-M150 HydrophobicContact CG-CE 4.11Å; L14-M150 HydrophobicContact CD2-CE 4Å; L14-M150 HydrophobicContact CD2-SD 3.86Å; F18-M150 HydrophobicContact CD2-SD 3.74Å; F18-M150 HydrophobicContact CE2-SD 4.04Å; M109-M150 HydrophobicContact CE-CG 4.3Å; L125-M150 HydrophobicContact CB-CG 3.92Å; L125-M150 HydrophobicContact CB-SD 4.15Å; L125-M150 HydrophobicContact CD1-CG 4.24Å; L125-M150 HydrophobicContact CD2-SD 4.12Å; I127-M150 HydrophobicContact CG2-CB 3.92Å; I127-M150 HydrophobicContact CG2-CG 4.08Å; N146-M150 WeakPolarHBondContact O-CB 3.17Å; N146-M150 PolarHBondContact O-N 3.43Å; T147-M150 PolarHBondContact O-N 3.14Å; L148-M150 VanDerWaalsContact C-N 3.35Å; L148-M150 PolarHBondContact O-N 2.91Å; M150-A153 PolarHBondContact O-N 3.06Å; M150-L154 WeakPolarHBondContact O-CB 3.36Å; M150-L154 PolarHBondContact O-N 3.05Å
151G98.6Very high97.7Very high0 Ų034.2 Ų34.20%020%0.196CC..Hα-helixtrans-64-38.7176.500000113.4T147 L148 L154 A155T147-G151 PolarHBondContact O-N 3.44Å; L148-G151 PolarHBondContact O-N 3.38Å; G151-L154 PolarHBondContact O-N 3.37Å; G151-A155 WeakPolarHBondContact O-CB 3.49Å; G151-A155 PolarHBondContact O-N 3.49Å
152D98.4Very high97.7Very high46 Ų4637.4 Ų37.425%0.24620%0.204CC..Hα-helixtrans-69.2-44.5175.6-75.4-7.8000112K46 L148 M149 L154 A155 M156K46-D152 IonicContact NZ-OD1 2.67Å; K46-D152 PolarHBondContact NZ-OD1 2.93Å; K46-D152 IonicContact NZ-OD2 3.14Å; K46-D152 PolarHBondContact NZ-OD2 3.26Å; L148-D152 PolarHBondContact O-N 2.86Å; M149-D152 PolarHBondContact O-N 3.46Å; D152-L154 VanDerWaalsContact C-N 3.28Å; D152-L154 PolarHBondContact O-N 2.86Å; D152-A155 PolarHBondContact O-N 3.45Å; D152-M156 WeakPolarHBondContact O-CB 3.5Å; D152-M156 VanDerWaalsContact O-CG 3.26Å; D152-M156 WeakPolarHBondContact O-CG 3.36Å; D152-M156 PolarHBondContact O-N 3.46Å
153A98.3Very high97.6Very high33 Ų3339.8 Ų39.827%0.27323%0.229SC..Hα-helixtrans-56.9-44.7174.400000111.1F18 M149 M150 M156 A157F18-A153 HydrophobicContact CE2-CB 4.02Å; F18-A153 HydrophobicContact CZ-CB 4.07Å; M149-A153 WeakPolarHBondContact O-CB 3.49Å; M149-A153 PolarHBondContact O-N 3.15Å; M150-A153 PolarHBondContact O-N 3.06Å; A153-M156 PolarHBondContact O-N 3.37Å; A153-A157 VanDerWaalsContact O-CB 3.31Å; A153-A157 WeakPolarHBondContact O-CB 3.22Å; A153-A157 PolarHBondContact O-N 3.27Å
154L98.7Very high97.4Very high0 Ų041 Ų410%023%0.233CC..Hα-helixtrans-62.2-47.5177.3-174.965.3000111.7F18 A21 A22 I25 L81 M109 L125 M150 G151 D152 M156 A157 V158F18-L154 HydrophobicContact CE2-CB 4.1Å; F18-L154 HydrophobicContact CE2-CD1 4.26Å; A21-L154 HydrophobicContact CB-CD1 4.17Å; A22-L154 HydrophobicContact CB-CD1 3.95Å; I25-L154 HydrophobicContact CD1-CD1 4.19Å; I25-L154 HydrophobicContact CD1-CD2 3.52Å; I25-L154 HydrophobicContact CD1-CG 3.9Å; L81-L154 HydrophobicContact CD2-CD2 4.4Å; M109-L154 HydrophobicContact CE-CD2 4Å; L125-L154 HydrophobicContact CD1-CD2 3.75Å; M150-L154 WeakPolarHBondContact O-CB 3.36Å; M150-L154 PolarHBondContact O-N 3.05Å; G151-L154 PolarHBondContact O-N 3.37Å; D152-L154 VanDerWaalsContact C-N 3.28Å; D152-L154 PolarHBondContact O-N 2.86Å; L154-M156 PolarHBondContact O-N 2.89Å; L154-A157 PolarHBondContact O-N 3.41Å; L154-V158 VanDerWaalsContact O-CG2 3.3Å; L154-V158 WeakPolarHBondContact O-CG2 3.31Å; L154-V158 PolarHBondContact O-N 2.95Å
155A98.5Very high96.9Very high0 Ų043.5 Ų43.50%025%0.246CC..Hα-helixtrans-63.2-42178.700000112.1T50 L51 G151 D152 V158 M159T50-A155 HydrophobicContact CG2-CB 3.67Å; L51-A155 HydrophobicContact CD2-CB 3.8Å; L51-A155 HydrophobicContact CG-CB 4.2Å; G151-A155 WeakPolarHBondContact O-CB 3.49Å; G151-A155 PolarHBondContact O-N 3.49Å; D152-A155 PolarHBondContact O-N 3.45Å; A155-V158 PolarHBondContact O-N 2.88Å; A155-M159 WeakPolarHBondContact O-CB 3.35Å; A155-M159 PolarHBondContact O-N 3.5Å
156M98Very high96.4Very high76 Ų7646.6 Ų46.637%0.37426%0.257SS..Hα-helixtrans-66.4-41.1177.1-66.1-53.192.700112.1T50 T54 D152 A153 L154 M159 Q160T50-M156 HydrophobicContact CG2-CE 4.08Å; T54-M156 HydrophobicContact CG2-CE 3.82Å; D152-M156 WeakPolarHBondContact O-CB 3.5Å; D152-M156 VanDerWaalsContact O-CG 3.26Å; D152-M156 WeakPolarHBondContact O-CG 3.36Å; D152-M156 PolarHBondContact O-N 3.46Å; A153-M156 PolarHBondContact O-N 3.37Å; L154-M156 PolarHBondContact O-N 2.89Å; M156-M159 HydrophobicContact CE-CE 4.38Å; M156-M159 HydrophobicContact CE-SD 4.21Å; M156-M159 PolarHBondContact O-N 3.45Å; M156-M159 HydrophobicContact SD-CE 3.75Å; M156-M159 HydrophobicContact SD-SD 4.33Å; M156-Q160 WeakPolarHBondContact O-CB 3.47Å; M156-Q160 PolarHBondContact O-N 2.97Å
157A98.2Very high95.6Very high29 Ų2950.1 Ų50.124%0.2427%0.273CS..Hα-helixtrans-61.7-45.1176.700000111.5F18 A153 L154 A161F18-A157 HydrophobicContact CE1-CB 4Å; F18-A157 HydrophobicContact CZ-CB 3.96Å; A153-A157 VanDerWaalsContact O-CB 3.31Å; A153-A157 WeakPolarHBondContact O-CB 3.22Å; A153-A157 PolarHBondContact O-N 3.27Å; L154-A157 PolarHBondContact O-N 3.41Å; A157-A161 WeakPolarHBondContact O-CB 3.21Å; A157-A161 PolarHBondContact O-N 3.01Å
158V98.4Very high95.1Very high1 Ų151.5 Ų51.51%0.00628%0.281CS..Hα-helixtrans-66-44.3176.3173.80000111.3A22 I25 L26 T56 L154 A155 Q160 A161 R162A22-V158 HydrophobicContact CB-CG2 4.2Å; I25-V158 HydrophobicContact CB-CG2 4.02Å; I25-V158 HydrophobicContact CG2-CB 4.41Å; I25-V158 HydrophobicContact CG2-CG1 3.88Å; I25-V158 HydrophobicContact CG2-CG2 3.77Å; L26-V158 HydrophobicContact CD1-CG1 4.44Å; T56-V158 WeakPolarHBondContact OG1-CG1 3.43Å; L154-V158 VanDerWaalsContact O-CG2 3.3Å; L154-V158 WeakPolarHBondContact O-CG2 3.31Å; L154-V158 PolarHBondContact O-N 2.95Å; A155-V158 PolarHBondContact O-N 2.88Å; V158-Q160 VanDerWaalsContact C-N 3.33Å; V158-Q160 PolarHBondContact O-N 3.49Å; V158-A161 PolarHBondContact O-N 2.9Å; V158-R162 VanDerWaalsContact O-CB 3.3Å; V158-R162 WeakPolarHBondContact O-CB 3.25Å; V158-R162 PolarHBondContact O-N 3.39Å
159M97.3Very high94.5Very high47 Ų4752.1 Ų52.123%0.23228%0.281CS..Hα-helixtrans-55.8-48.7177.1-177-17577.100111T54 A155 M156 R162 G163 F164T54-M159 HydrophobicContact CG2-CG 4.29Å; T54-M159 HydrophobicContact CG2-SD 3.5Å; T54-M159 VanDerWaalsContact CG2-SD 3.5Å; A155-M159 WeakPolarHBondContact O-CB 3.35Å; A155-M159 PolarHBondContact O-N 3.5Å; M156-M159 HydrophobicContact CE-CE 4.38Å; M156-M159 HydrophobicContact CE-SD 4.21Å; M156-M159 PolarHBondContact O-N 3.45Å; M156-M159 HydrophobicContact SD-CE 3.75Å; M156-M159 HydrophobicContact SD-SD 4.33Å; M159-R162 PolarHBondContact O-N 3.24Å; M159-G163 PolarHBondContact O-N 3.44Å; M159-F164 HydrophobicContact CG-CB 3.68Å; M159-F164 HydrophobicContact CG-CD1 3.78Å; M159-F164 HydrophobicContact CG-CG 4.04Å; M159-F164 PolarHBondContact O-N 3.37Å; M159-F164 VanDerWaalsContact O-N 3.14Å; M159-F164 HydrophobicContact SD-CD1 4.1Å
160Q97.3Very high93.8Very high161 Ų16148.1 Ų48.175%0.75226%0.262SS*.Hα-helixtrans-65.1-46.3179.2-175.4177.1-700111.7M156 V158 R162 G163M156-Q160 WeakPolarHBondContact O-CB 3.47Å; M156-Q160 PolarHBondContact O-N 2.97Å; V158-Q160 VanDerWaalsContact C-N 3.33Å; V158-Q160 PolarHBondContact O-N 3.49Å; Q160-R162 VanDerWaalsContact C-N 3.26Å; Q160-R162 PolarHBondContact O-N 3.28Å; Q160-G163 PolarHBondContact O-N 3.46Å; Q160-G163 VanDerWaalsContact O-N 3.09Å
161A97.3Very high93.1Very high68 Ų6855.5 Ų55.556%0.56229%0.289SS*.Hα-helixtrans-64.5-30.3179.800000113L26 A157 V158 G163L26-A161 HydrophobicContact CD1-CB 4.17Å; L26-A161 HydrophobicContact CD2-CB 3.8Å; A157-A161 WeakPolarHBondContact O-CB 3.21Å; A157-A161 PolarHBondContact O-N 3.01Å; V158-A161 PolarHBondContact O-N 2.9Å; A161-G163 VanDerWaalsContact C-N 3.3Å
162R95Very high92.4Very high100 Ų10058.3 Ų58.338%0.37731%0.309SS..Hα-helixtrans-76.4-15.6175.6-170.1175.8-69.1-104.5-2.8113.2L26 V158 M159 Q160 F164L26-R162 HydrophobicContact CD1-CB 3.92Å; L26-R162 PolarHBondContact O-NH2 3.15Å; V158-R162 VanDerWaalsContact O-CB 3.3Å; V158-R162 WeakPolarHBondContact O-CB 3.25Å; V158-R162 PolarHBondContact O-N 3.39Å; M159-R162 PolarHBondContact O-N 3.24Å; Q160-R162 VanDerWaalsContact C-N 3.26Å; Q160-R162 PolarHBondContact O-N 3.28Å; R162-F164 VanDerWaalsContact C-N 3.33Å
163G94.1Very high91.6Very high50 Ų5059 Ų5952%0.51531%0.311SS..THydrogen-bonded Turntrans72.724.8-173.200000113.7M159 Q160 A161 N165M159-G163 PolarHBondContact O-N 3.44Å; Q160-G163 PolarHBondContact O-N 3.46Å; Q160-G163 VanDerWaalsContact O-N 3.09Å; A161-G163 VanDerWaalsContact C-N 3.3Å; G163-N165 PolarHBondContact O-N 2.91Å
164F91.9Very high90.6Very high30 Ų3061.4 Ų61.413%0.13232%0.323CS..  trans-66.2118.3179.3-173.3-87.3000110S53 G55 M159 R162 D168 F169S53-F164 WeakPolarHBondContact O-CZ 3.34Å; G55-F164 VanDerWaalsContact N-CE2 3.27Å; M159-F164 HydrophobicContact CG-CB 3.68Å; M159-F164 HydrophobicContact CG-CD1 3.78Å; M159-F164 HydrophobicContact CG-CG 4.04Å; M159-F164 PolarHBondContact O-N 3.37Å; M159-F164 VanDerWaalsContact O-N 3.14Å; M159-F164 HydrophobicContact SD-CD1 4.1Å; R162-F164 VanDerWaalsContact C-N 3.33Å; F164-D168 WeakPolarHBondContact CA-OD2 3.38Å; F164-D168 HydrophobicContact CD1-CB 4.12Å; F164-D168 HydrophobicContact CD2-CB 3.43Å; F164-D168 VanDerWaalsContact CD2-CB 3.43Å; F164-D168 HydrophobicContact CE1-CB 4Å; F164-D168 HydrophobicContact CE2-CB 3.31Å; F164-D168 HydrophobicContact CG-CB 3.86Å; F164-D168 VanDerWaalsContact CZ-C 3.43Å; F164-D168 HydrophobicContact CZ-CB 3.63Å; F164-F169 HydrophobicContact CE1-CB 3.64Å; F164-F169 AromaticContact CE1-CD2 3.95Å; F164-F169 HydrophobicContact CE1-CD2 3.95Å; F164-F169 HydrophobicContact CE1-CG 4.28Å; F164-F169 HydrophobicContact CZ-CB 4.21Å
165N87.8Confident89.7Confident78 Ų7866.5 Ų66.542%0.41737%0.366SS..  trans-111.5-178.5-171.262.658.3000112.5G163 E167 D168 F169G163-N165 PolarHBondContact O-N 2.91Å; N165-E167 VanDerWaalsContact C-N 3.26Å; N165-E167 PolarHBondContact O-N 3.08Å; N165-E167 WeakPolarHBondContact OD1-CA 3.44Å; N165-E167 VanDerWaalsContact OD1-CB 3.29Å; N165-E167 WeakPolarHBondContact OD1-CB 3.47Å; N165-E167 PolarHBondContact OD1-N 3.06Å; N165-D168 PolarHBondContact N-OD2 3.15Å; N165-D168 PolarHBondContact ND2-OD2 3.49Å; N165-D168 WeakPolarHBondContact O-CB 3.48Å; N165-D168 PolarHBondContact O-N 3.37Å; N165-D168 PolarHBondContact OD1-N 3.16Å; N165-D168 VanDerWaalsContact OD1-N 3.11Å; N165-D168 PolarHBondContact OD1-OD2 3.45Å; N165-F169 PolarHBondContact O-N 3.49Å
166E85.3Confident88.6Confident116 Ų11668.1 Ų68.154%0.54238%0.382SS..Hα-helixtrans-60.1-32.8-179.1-62.8-170-174.700113.5F169 A170 R181 L182E166-F169 PolarHBondContact O-N 3.34Å; E166-A170 VanDerWaalsContact O-CB 3.3Å; E166-A170 WeakPolarHBondContact O-CB 3.46Å; E166-A170 PolarHBondContact O-N 2.86Å; E166-R181 IonicContact OE2-NH2 3.61Å; E166-R181 PolarHBondContact OE2-NH2 2.71Å; E166-R181 VanDerWaalsContact OE2-NH2 3.08Å; E166-L182 HydrophobicContact CB-CD1 3.67Å; E166-L182 WeakPolarHBondContact O-CD1 3.47Å
167E82Confident87.5Confident74 Ų7468.4 Ų68.435%0.34640%0.396SS..Hα-helixtrans-71.7-38.5178.1-57.3-178.2-171.800111.2N165 F169 A170 R171 R268N165-E167 VanDerWaalsContact C-N 3.26Å; N165-E167 PolarHBondContact O-N 3.08Å; N165-E167 WeakPolarHBondContact OD1-CA 3.44Å; N165-E167 VanDerWaalsContact OD1-CB 3.29Å; N165-E167 WeakPolarHBondContact OD1-CB 3.47Å; N165-E167 PolarHBondContact OD1-N 3.06Å; E167-F169 VanDerWaalsContact C-N 3.34Å; E167-A170 PolarHBondContact O-N 2.92Å; E167-R171 WeakPolarHBondContact O-CG 3.39Å; E167-R171 PolarHBondContact O-N 2.98Å; E167-R268 IonicContact OE1-CZ 3.32Å; E167-R268 IonicContact OE1-NH1 2.82Å; E167-R268 PolarHBondContact OE1-NH1 3.33Å; E167-R268 IonicContact OE1-NH2 3.03Å; E167-R268 PolarHBondContact OE1-NH2 3.03Å; E167-R268 IonicContact OE2-CZ 3.71Å; E167-R268 IonicContact OE2-NH2 2.75Å; E167-R268 PolarHBondContact OE2-NH2 2.95Å
168D87.4Confident86.5Confident32 Ų3269.4 Ų69.417%0.17140%0.398CS..Hα-helixtrans-61.4-46.1171.2-57.7-46.1000110.7F164 N165 A170 R171 S172F164-D168 WeakPolarHBondContact CA-OD2 3.38Å; F164-D168 HydrophobicContact CD1-CB 4.12Å; F164-D168 HydrophobicContact CD2-CB 3.43Å; F164-D168 VanDerWaalsContact CD2-CB 3.43Å; F164-D168 HydrophobicContact CE1-CB 4Å; F164-D168 HydrophobicContact CE2-CB 3.31Å; F164-D168 HydrophobicContact CG-CB 3.86Å; F164-D168 VanDerWaalsContact CZ-C 3.43Å; F164-D168 HydrophobicContact CZ-CB 3.63Å; N165-D168 PolarHBondContact N-OD2 3.15Å; N165-D168 PolarHBondContact ND2-OD2 3.49Å; N165-D168 WeakPolarHBondContact O-CB 3.48Å; N165-D168 PolarHBondContact O-N 3.37Å; N165-D168 PolarHBondContact OD1-N 3.16Å; N165-D168 VanDerWaalsContact OD1-N 3.11Å; N165-D168 PolarHBondContact OD1-OD2 3.45Å; D168-A170 VanDerWaalsContact C-N 3.34Å; D168-A170 PolarHBondContact O-N 3.16Å; D168-R171 PolarHBondContact O-N 3.38Å; D168-R171 IonicContact OD1-CZ 3.89Å; D168-R171 IonicContact OD1-NE 2.72Å; D168-R171 IonicContact OD1-NH2 3.39Å; D168-R171 PolarHBondContact OD1-NH2 3.33Å; D168-S172 PolarHBondContact O-N 2.92Å; D168-S172 PolarHBondContact O-OG 3.48Å
169F85.2Confident85.6Confident70 Ų7069.4 Ų69.431%0.30740%0.397SS..Hα-helixtrans-60.6-44.3177.3-168.3-84.7000111.7F164 N165 E166 E167 R171 S172 H173 L178F164-F169 HydrophobicContact CE1-CB 3.64Å; F164-F169 AromaticContact CE1-CD2 3.95Å; F164-F169 HydrophobicContact CE1-CD2 3.95Å; F164-F169 HydrophobicContact CE1-CG 4.28Å; F164-F169 HydrophobicContact CZ-CB 4.21Å; N165-F169 PolarHBondContact O-N 3.49Å; E166-F169 PolarHBondContact O-N 3.34Å; E167-F169 VanDerWaalsContact C-N 3.34Å; F169-R171 VanDerWaalsContact C-N 3.33Å; F169-R171 PolarHBondContact O-N 3.49Å; F169-S172 PolarHBondContact O-N 2.91Å; F169-H173 AromaticContact CD1-ND1 3.6Å; F169-H173 AromaticContact CD2-CE1 3.98Å; F169-H173 HydrophobicContact CE1-CB 4.24Å; F169-H173 AromaticContact CE1-CE1 3.88Å; F169-H173 AromaticContact CE1-CG 3.82Å; F169-H173 AromaticContact CE1-ND1 3.42Å; F169-H173 WeakPolarHBondContact CE1-ND1 3.41Å; F169-H173 AromaticContact CE2-CE1 3.52Å; F169-H173 AromaticContact CE2-ND1 3.81Å; F169-H173 AromaticContact CG-ND1 3.92Å; F169-H173 AromaticContact CZ-CE1 3.47Å; F169-H173 VanDerWaalsContact CZ-CE1 3.47Å; F169-H173 WeakPolarHBondContact CZ-CE1 3.48Å; F169-H173 AromaticContact CZ-ND1 3.52Å; F169-H173 PolarHBondContact O-N 3.38Å; F169-H173 PolarHBondContact O-ND1 2.83Å; F169-L178 HydrophobicContact CD1-CD2 3.5Å; F169-L178 HydrophobicContact CE1-CD2 4.05Å; F169-L178 HydrophobicContact CG-CD2 4.37Å
170A83.3Confident84.6Confident0 Ų068.2 Ų68.20%040%0.395CS..Hα-helixtrans-60.1-42176.600000111.9E166 E167 D168 S172 H173 P174 L182 L183E166-A170 VanDerWaalsContact O-CB 3.3Å; E166-A170 WeakPolarHBondContact O-CB 3.46Å; E166-A170 PolarHBondContact O-N 2.86Å; E167-A170 PolarHBondContact O-N 2.92Å; D168-A170 VanDerWaalsContact C-N 3.34Å; D168-A170 PolarHBondContact O-N 3.16Å; A170-S172 VanDerWaalsContact C-N 3.32Å; A170-S172 PolarHBondContact O-N 3.01Å; A170-H173 CarbonylContact O-C 3.57Å; A170-H173 PolarHBondContact O-N 3.25Å; A170-P174 WeakPolarHBondContact O-CA 3.37Å; A170-L182 HydrophobicContact CB-CB 3.81Å; A170-L182 HydrophobicContact CB-CD1 3.98Å; A170-L182 HydrophobicContact CB-CG 4.43Å; A170-L183 HydrophobicContact CB-CD2 4.07Å; A170-L183 HydrophobicContact CB-CG 4.09Å; A170-L183 WeakPolarHBondContact O-CD1 3.43Å
171R83.7Confident83.6Confident154 Ų15464.9 Ų64.958%0.58138%0.376SS*.Hα-helixtrans-63-36.7175.4-74.5-173.9-74.3-165.1-2.3112.8E167 D168 F169 H173 L183E167-R171 WeakPolarHBondContact O-CG 3.39Å; E167-R171 PolarHBondContact O-N 2.98Å; D168-R171 PolarHBondContact O-N 3.38Å; D168-R171 IonicContact OD1-CZ 3.89Å; D168-R171 IonicContact OD1-NE 2.72Å; D168-R171 IonicContact OD1-NH2 3.39Å; D168-R171 PolarHBondContact OD1-NH2 3.33Å; F169-R171 VanDerWaalsContact C-N 3.33Å; F169-R171 PolarHBondContact O-N 3.49Å; R171-H173 VanDerWaalsContact C-N 3.29Å; R171-L183 HydrophobicContact CG-CD2 3.69Å
172S83.4Confident82.8Confident59 Ų5962.8 Ų62.841%0.41336%0.355SS..Hα-helixtrans-74.3-18.1173.4-65.20000113.5D168 F169 A170D168-S172 PolarHBondContact O-N 2.92Å; D168-S172 PolarHBondContact O-OG 3.48Å; F169-S172 PolarHBondContact O-N 2.91Å; A170-S172 VanDerWaalsContact C-N 3.32Å; A170-S172 PolarHBondContact O-N 3.01Å
173H83Confident82.3Confident62 Ų6261 Ų6129%0.28735%0.353SS..  trans-132.760.9-178.1-55.586.1000112.4S53 F169 A170 R171 A175 G176S53-H173 VanDerWaalsContact CB-CE1 3.48Å; S53-H173 WeakPolarHBondContact CB-CE1 3.34Å; S53-H173 WeakPolarHBondContact CB-NE2 3.34Å; S53-H173 PolarHBondContact O-CE1 3.13Å; F169-H173 AromaticContact CD1-ND1 3.6Å; F169-H173 AromaticContact CD2-CE1 3.98Å; F169-H173 HydrophobicContact CE1-CB 4.24Å; F169-H173 AromaticContact CE1-CE1 3.88Å; F169-H173 AromaticContact CE1-CG 3.82Å; F169-H173 AromaticContact CE1-ND1 3.42Å; F169-H173 WeakPolarHBondContact CE1-ND1 3.41Å; F169-H173 AromaticContact CE2-CE1 3.52Å; F169-H173 AromaticContact CE2-ND1 3.81Å; F169-H173 AromaticContact CG-ND1 3.92Å; F169-H173 AromaticContact CZ-CE1 3.47Å; F169-H173 VanDerWaalsContact CZ-CE1 3.47Å; F169-H173 WeakPolarHBondContact CZ-CE1 3.48Å; F169-H173 AromaticContact CZ-ND1 3.52Å; F169-H173 PolarHBondContact O-N 3.38Å; F169-H173 PolarHBondContact O-ND1 2.83Å; A170-H173 CarbonylContact O-C 3.57Å; A170-H173 PolarHBondContact O-N 3.25Å; R171-H173 VanDerWaalsContact C-N 3.29Å; H173-A175 PolarHBondContact O-N 2.9Å; H173-G176 PolarHBondContact O-N 3.44Å; H173-G176 VanDerWaalsContact O-N 3.16Å
174P77.7Confident82.1Confident82 Ų8260.2 Ų60.253%0.53234%0.337SS..THydrogen-bonded Turntrans-65.5-27.1-171.326.3-35000113.2A170 L183A170-P174 WeakPolarHBondContact O-CA 3.37Å; P174-L183 HydrophobicContact CB-CD1 3.91Å
175A78.4Confident82.2Confident108 Ų10862.4 Ų62.489%0.89335%0.346SS*.THydrogen-bonded Turntrans-81-10.7-178.900000114.2H173H173-A175 PolarHBondContact O-N 2.9Å
176G75.3Confident82.6Confident34 Ų3458.7 Ų58.735%0.35133%0.326SS..SBendtrans-81.5164.4179.600000112.7H173 L178 G179 A180H173-G176 PolarHBondContact O-N 3.44Å; H173-G176 VanDerWaalsContact O-N 3.16Å; G176-L178 PolarHBondContact O-N 2.96Å; G176-G179 WeakPolarHBondContact O-CA 3.49Å; G176-G179 PolarHBondContact O-N 3.43Å; G176-A180 PolarHBondContact O-N 3.42Å
177A75.5Confident83.1Confident81 Ų8155 Ų5567%0.66931%0.309SS*.Hα-helixtrans-55.9-37.4175.200000112.5A180 R181A177-A180 PolarHBondContact O-N 3.05Å; A177-R181 VanDerWaalsContact O-CB 3.27Å; A177-R181 WeakPolarHBondContact O-CB 3.47Å; A177-R181 PolarHBondContact O-N 2.95Å
178L76.5Confident83.7Confident51 Ų5156.1 Ų56.127%0.26731%0.314SS..Hα-helixtrans-65.9-41.1175.5-175.159.4000112.1F169 G176 R181 L182F169-L178 HydrophobicContact CD1-CD2 3.5Å; F169-L178 HydrophobicContact CE1-CD2 4.05Å; F169-L178 HydrophobicContact CG-CD2 4.37Å; G176-L178 PolarHBondContact O-N 2.96Å; L178-R181 VanDerWaalsContact CD1-NH2 3.35Å; L178-R181 PolarHBondContact O-N 3.19Å; L178-L182 HydrophobicContact CD1-CD1 3.5Å; L178-L182 HydrophobicContact CD1-CG 3.95Å; L178-L182 HydrophobicContact CG-CD1 4.01Å; L178-L182 WeakPolarHBondContact O-CB 3.46Å; L178-L182 PolarHBondContact O-N 3.47Å
179G80.4Confident84.1Confident0 Ų056 Ų560%031%0.313CS..Hα-helixtrans-59.3-51.8173.200000111.8G176 R181 L182 L183G176-G179 WeakPolarHBondContact O-CA 3.49Å; G176-G179 PolarHBondContact O-N 3.43Å; G179-R181 VanDerWaalsContact C-N 3.27Å; G179-R181 PolarHBondContact O-N 3.4Å; G179-L182 PolarHBondContact O-N 3.2Å; G179-L183 WeakPolarHBondContact O-CB 3.4Å; G179-L183 WeakPolarHBondContact O-CG 3.34Å; G179-L183 PolarHBondContact O-N 3.38Å
180A75.2Confident84.6Confident22 Ų2253.7 Ų53.718%0.18230%0.303CS..Hα-helixtrans-58.3-38.5176.200000112.6G176 A177 N184G176-A180 PolarHBondContact O-N 3.42Å; A177-A180 PolarHBondContact O-N 3.05Å; A180-N184 WeakPolarHBondContact O-CB 3.3Å; A180-N184 PolarHBondContact O-ND2 2.85Å
181R76.8Confident85.2Confident91 Ų9157.5 Ų57.534%0.34332%0.318SS..Hα-helixtrans-68.2-43.5178.7-171.1-179.974153.43113E166 A177 L178 G179 I270E166-R181 IonicContact OE2-NH2 3.61Å; E166-R181 PolarHBondContact OE2-NH2 2.71Å; E166-R181 VanDerWaalsContact OE2-NH2 3.08Å; A177-R181 VanDerWaalsContact O-CB 3.27Å; A177-R181 WeakPolarHBondContact O-CB 3.47Å; A177-R181 PolarHBondContact O-N 2.95Å; L178-R181 VanDerWaalsContact CD1-NH2 3.35Å; L178-R181 PolarHBondContact O-N 3.19Å; G179-R181 VanDerWaalsContact C-N 3.27Å; G179-R181 PolarHBondContact O-N 3.4Å; R181-I270 HydrophobicContact CG-CD1 3.6Å
182L80.3Confident85.8Confident25 Ų2555.8 Ų55.813%0.13131%0.311CS..Hα-helixtrans-97.4-26.6-169.8-65.5-178.2000114.3E166 A170 L178 G179E166-L182 HydrophobicContact CB-CD1 3.67Å; E166-L182 WeakPolarHBondContact O-CD1 3.47Å; A170-L182 HydrophobicContact CB-CB 3.81Å; A170-L182 HydrophobicContact CB-CD1 3.98Å; A170-L182 HydrophobicContact CB-CG 4.43Å; L178-L182 HydrophobicContact CD1-CD1 3.5Å; L178-L182 HydrophobicContact CD1-CG 3.95Å; L178-L182 HydrophobicContact CG-CD1 4.01Å; L178-L182 WeakPolarHBondContact O-CB 3.46Å; L178-L182 PolarHBondContact O-N 3.47Å; G179-L182 PolarHBondContact O-N 3.2Å
183L84.7Confident86.3Confident62 Ų6259.2 Ų59.233%0.32533%0.325SS..Hα-helixtrans-94.4-21.8-175.5-57.1-179000113.6A170 R171 P174 G179 K185A170-L183 HydrophobicContact CB-CD2 4.07Å; A170-L183 HydrophobicContact CB-CG 4.09Å; A170-L183 WeakPolarHBondContact O-CD1 3.43Å; R171-L183 HydrophobicContact CG-CD2 3.69Å; P174-L183 HydrophobicContact CB-CD1 3.91Å; G179-L183 WeakPolarHBondContact O-CB 3.4Å; G179-L183 WeakPolarHBondContact O-CG 3.34Å; G179-L183 PolarHBondContact O-N 3.38Å; L183-K185 PolarHBondContact O-N 3.07Å
184N90.1Very high86.8Confident34 Ų3463 Ų6318%0.18235%0.348CS..  trans-73.5129.4-178.2-80.5-40.7000111.6A180 H188 L189 A269 I307A180-N184 WeakPolarHBondContact O-CB 3.3Å; A180-N184 PolarHBondContact O-ND2 2.85Å; N184-H188 PolarHBondContact OD1-ND1 3.34Å; N184-L189 HydrophobicContact CB-CD1 4.47Å; N184-L189 HydrophobicContact CB-CD2 4.49Å; N184-A269 HydrophobicContact CB-CB 4.08Å; N184-A269 VanDerWaalsContact O-CB 3.31Å; N184-A269 WeakPolarHBondContact O-CB 3.41Å; N184-A269 PolarHBondContact O-N 2.99Å; N184-I307 HydrophobicContact CB-CD1 4.05Å
185K93.9Very high87.6Confident76 Ų7661 Ų6133%0.3334%0.338SS..BIsolated β-bridgetrans-99.8160.2167.5-71.1177.5163.8-172.60109.7L183 H187 H188 Q266 S267L183-K185 PolarHBondContact O-N 3.07Å; K185-H187 WeakPolarHBondContact CB-ND1 3.44Å; K185-H187 PolarHBondContact O-N 2.69Å; K185-H188 PolarHBondContact N-ND1 3.42Å; K185-H188 WeakPolarHBondContact O-CB 3.3Å; K185-H188 PolarHBondContact O-N 3.18Å; K185-Q266 WeakPolarHBondContact CD-O 3.36Å; K185-Q266 VanDerWaalsContact CE-O 3.26Å; K185-Q266 WeakPolarHBondContact CE-O 3.17Å; K185-S267 CarbonylContact C-O 3.53Å; K185-S267 WeakPolarHBondContact CA-O 3.29Å; K185-S267 WeakPolarHBondContact CB-O 3.37Å
186V96.8Very high88.5Confident0 Ų056.6 Ų56.60%030%0.299CS..Hα-helixtrans-52.3-42.4-179.8176.60000111.6H188 L189 M190 S267 A272 V286 I297V186-H188 PolarHBondContact O-N 3.44Å; V186-L189 PolarHBondContact O-N 3.18Å; V186-M190 HydrophobicContact CG1-CB 4.48Å; V186-M190 PolarHBondContact O-N 2.83Å; V186-S267 PolarHBondContact N-O 2.98Å; V186-A272 HydrophobicContact CG2-CB 3.27Å; V186-V286 HydrophobicContact CG1-CB 4.21Å; V186-V286 HydrophobicContact CG1-CG1 3.57Å; V186-V286 HydrophobicContact CG1-CG2 3.51Å; V186-I297 HydrophobicContact CG1-CD1 4.11Å; V186-I297 HydrophobicContact CG1-CG2 4.24Å
187H96.3Very high89.5Confident37 Ų3755 Ų5517%0.17128%0.283CS..Hα-helixtrans-63.2-23.8-179.672.3-88.5000114.3K185 L189 M190 R192 S265K185-H187 WeakPolarHBondContact CB-ND1 3.44Å; K185-H187 PolarHBondContact O-N 2.69Å; H187-L189 PolarHBondContact O-N 3.04Å; H187-M190 HydrophobicContact CB-CE 3.74Å; H187-M190 HydrophobicContact CB-SD 4.12Å; H187-R192 PolarHBondContact O-NE 3.38Å; H187-R192 PolarHBondContact O-NH2 3.47Å; H187-S265 WeakPolarHBondContact CB-O 3.43Å; H187-S265 PolarHBondContact N-O 2.98Å; H187-S265 PolarHBondContact ND1-O 3.1Å
188H94.1Very high90.5Very high99 Ų9954.2 Ų54.246%0.45827%0.265SS..Hα-helixtrans-68.3-24175.1-60.3161.3000112.4N184 K185 V186N184-H188 PolarHBondContact OD1-ND1 3.34Å; K185-H188 PolarHBondContact N-ND1 3.42Å; K185-H188 WeakPolarHBondContact O-CB 3.3Å; K185-H188 PolarHBondContact O-N 3.18Å; V186-H188 PolarHBondContact O-N 3.44Å
189L94.4Very high91.5Very high30 Ų3052.9 Ų52.916%0.15726%0.259CS..Hα-helixtrans-113.8-25.3-168.5-49.4-174.6000113.4N184 V186 H187 A269 I297 F302 A305 I307N184-L189 HydrophobicContact CB-CD1 4.47Å; N184-L189 HydrophobicContact CB-CD2 4.49Å; V186-L189 PolarHBondContact O-N 3.18Å; H187-L189 PolarHBondContact O-N 3.04Å; L189-A269 HydrophobicContact CD1-CB 3.64Å; L189-I297 HydrophobicContact CB-CD1 3.72Å; L189-F302 HydrophobicContact CD1-CD1 4.02Å; L189-F302 HydrophobicContact CD1-CE1 4.45Å; L189-A305 HydrophobicContact CD1-CB 3.77Å; L189-A305 HydrophobicContact CD2-CB 3.49Å; L189-A305 VanDerWaalsContact CD2-CB 3.49Å; L189-A305 HydrophobicContact CG-CB 4.26Å; L189-I307 HydrophobicContact CD1-CD1 3.51Å
190M96.9Very high92.3Very high20 Ų2055.3 Ų55.310%0.09928%0.279CS..SBendtrans-64.9151.6-175.973.1-172-17500112.6V186 H187 R192 V286 T294 I297V186-M190 HydrophobicContact CG1-CB 4.48Å; V186-M190 PolarHBondContact O-N 2.83Å; H187-M190 HydrophobicContact CB-CE 3.74Å; H187-M190 HydrophobicContact CB-SD 4.12Å; M190-R192 HydrophobicContact CE-CG 4.07Å; M190-R192 HydrophobicContact CG-CG 4.17Å; M190-V286 HydrophobicContact CB-CG2 4.02Å; M190-V286 HydrophobicContact SD-CB 3.73Å; M190-V286 HydrophobicContact SD-CG1 3.48Å; M190-V286 WeakPolarHBondContact SD-CG1 3.4Å; M190-V286 HydrophobicContact SD-CG2 4.12Å; M190-T294 VanDerWaalsContact CE-O 3.32Å; M190-T294 WeakPolarHBondContact CE-O 3.22Å; M190-I297 HydrophobicContact CB-CB 4.13Å; M190-I297 HydrophobicContact CB-CD1 4.45Å
191R96.6Very high93.3Very high80 Ų8056.5 Ų56.530%0.30228%0.282SS..BIsolated β-bridgetrans-65.4144.9163.2-55.6-59.4170.6825.9109.9A195 L217 G295 A296 D301R191-A195 HydrophobicContact CB-CB 3.9Å; R191-A195 WeakPolarHBondContact CB-O 3.42Å; R191-A195 HydrophobicContact CG-CB 4.46Å; R191-L217 HydrophobicContact CG-CD1 4.4Å; R191-G295 WeakPolarHBondContact O-CA 3.34Å; R191-A296 WeakPolarHBondContact CB-O 3.41Å; R191-A296 PolarHBondContact N-O 3.26Å; R191-A296 PolarHBondContact O-N 2.9Å; R191-D301 IonicContact CZ-OD1 3.69Å; R191-D301 IonicContact NE-OD1 3.38Å; R191-D301 PolarHBondContact NE-OD1 3.07Å; R191-D301 IonicContact NH2-OD1 3.72Å; R191-D301 PolarHBondContact NH2-OD1 3.09Å
192R96Very high94.2Very high118 Ų11858.1 Ų58.145%0.44530%0.302SS..  trans-131.8162.6-177.7-61.8-176.9-175.9179.9-0.3110.6H187 M190 D194 A195H187-R192 PolarHBondContact O-NE 3.38Å; H187-R192 PolarHBondContact O-NH2 3.47Å; M190-R192 HydrophobicContact CE-CG 4.07Å; M190-R192 HydrophobicContact CG-CG 4.17Å; R192-D194 PolarHBondContact O-N 3.42Å; R192-A195 WeakPolarHBondContact O-CB 3.13Å; R192-A195 PolarHBondContact O-N 2.86Å
193D94.1Very high95Very high131 Ų13157.7 Ų57.770%0.70130%0.302SS*.G310 helixtrans52.1-128.6173.1-47.9-51.7000111.8A195 I196D193-A195 PolarHBondContact O-N 2.75Å; D193-I196 WeakPolarHBondContact O-CB 3.21Å; D193-I196 WeakPolarHBondContact O-CG1 3.34Å; D193-I196 PolarHBondContact O-N 3.27Å
194D93.1Very high95.7Very high143 Ų14355.9 Ų55.977%0.76530%0.295SS*.G310 helixtrans-63-12.5-177.6-62.6-27.3000114.1R192 I196 R214R192-D194 PolarHBondContact O-N 3.42Å; D194-I196 VanDerWaalsContact C-N 3.34Å; D194-R214 PolarHBondContact O-NH1 2.88Å; D194-R214 PolarHBondContact O-NH2 3.32Å
195A94.4Very high96Very high40 Ų4054.2 Ų54.233%0.33129%0.286SS..G310 helixtrans-86.7-2.8175.300000113.4R191 R192 D193 P197R191-A195 HydrophobicContact CB-CB 3.9Å; R191-A195 WeakPolarHBondContact CB-O 3.42Å; R191-A195 HydrophobicContact CG-CB 4.46Å; R192-A195 WeakPolarHBondContact O-CB 3.13Å; R192-A195 PolarHBondContact O-N 2.86Å; D193-A195 PolarHBondContact O-N 2.75Å; A195-P197 WeakPolarHBondContact O-CD 3.49Å
196I96.6Very high96.2Very high15 Ų1554 Ų548%0.07729%0.287CS..SBendtrans-83.2117.6174.5-54.8171.9000109.2D193 D194 Q198 L293 A296D193-I196 WeakPolarHBondContact O-CB 3.21Å; D193-I196 WeakPolarHBondContact O-CG1 3.34Å; D193-I196 PolarHBondContact O-N 3.27Å; D194-I196 VanDerWaalsContact C-N 3.34Å; I196-Q198 HydrophobicContact CG2-CB 4.46Å; I196-Q198 PolarHBondContact O-N 2.76Å; I196-L293 HydrophobicContact CG2-CD1 4.49Å; I196-L293 HydrophobicContact CG2-CD2 3.55Å; I196-L293 HydrophobicContact CG2-CG 4.13Å; I196-A296 HydrophobicContact CG2-CB 4.3Å
197P96.2Very high96.3Very high0 Ų057.7 Ų57.70%031%0.307CS..  trans-72.8111.3170.926.3-29.2000110.3A195 E211 T215 L217 L219 V220 A221 A296A195-P197 WeakPolarHBondContact O-CD 3.49Å; P197-E211 WeakPolarHBondContact CA-OE1 3.49Å; P197-E211 HydrophobicContact CB-CG 4.2Å; P197-T215 HydrophobicContact CB-CG2 3.7Å; P197-T215 WeakPolarHBondContact CB-OG1 3.2Å; P197-T215 HydrophobicContact CG-CG2 4.27Å; P197-L217 HydrophobicContact CG-CB 4.1Å; P197-L217 HydrophobicContact CG-CD2 3.79Å; P197-L219 VanDerWaalsContact CB-O 3.24Å; P197-L219 WeakPolarHBondContact CB-O 3.32Å; P197-L219 HydrophobicContact CG-CD1 4.36Å; P197-L219 WeakPolarHBondContact CG-O 3.47Å; P197-V220 HydrophobicContact CB-CB 4.44Å; P197-V220 HydrophobicContact CB-CG2 3.95Å; P197-A221 PolarHBondContact O-N 3.2Å; P197-A296 HydrophobicContact CG-CB 4.32Å
198Q97Very high96.3Very high65 Ų6556 Ų5630%0.30430%0.299SS..EExtended strand (participates in β ladder)trans-146.4150179.162168.1-5.200113.8I196 E211 A221 L293I196-Q198 HydrophobicContact CG2-CB 4.46Å; I196-Q198 PolarHBondContact O-N 2.76Å; Q198-E211 PolarHBondContact N-OE1 2.7Å; Q198-A221 CarbonylContact C-O 3.54Å; Q198-A221 WeakPolarHBondContact CA-O 3.34Å; Q198-A221 HydrophobicContact CB-CB 4.37Å; Q198-L293 HydrophobicContact CB-CD2 3.84Å; Q198-L293 HydrophobicContact CG-CD2 4.39Å
199V97.6Very high96.4Very high22 Ų2253.5 Ų53.513%0.13329%0.288CS..EExtended strand (participates in β ladder)trans-140.8159.6172.3-64.20000111.2A203 A208 E211 V220 A221 V222 C223 V252V199-A203 HydrophobicContact CB-CB 3.79Å; V199-A203 HydrophobicContact CG1-CB 4.4Å; V199-A203 HydrophobicContact CG2-CB 4.23Å; V199-A208 HydrophobicContact CG2-CB 4.24Å; V199-E211 HydrophobicContact CG1-CB 4.15Å; V199-E211 HydrophobicContact CG1-CG 4.29Å; V199-V220 HydrophobicContact CB-CG1 4.25Å; V199-V220 HydrophobicContact CG1-CG1 3.93Å; V199-V220 HydrophobicContact CG2-CG1 3.72Å; V199-A221 PolarHBondContact N-O 3.15Å; V199-V222 HydrophobicContact CG2-CG2 4.13Å; V199-V222 WeakPolarHBondContact O-CA 3.4Å; V199-C223 PolarHBondContact O-N 3.27Å; V199-V252 HydrophobicContact CG2-CG1 4.05Å
200A97.7Very high96.5Very high51 Ų5157 Ų5742%0.42131%0.306SS..EExtended strand (participates in β ladder)trans-74.6155.8171.600000111.6T202 A203 C223A200-T202 PolarHBondContact O-N 2.94Å; A200-T202 VanDerWaalsContact O-N 3.1Å; A200-A203 WeakPolarHBondContact O-CB 3.37Å; A200-A203 PolarHBondContact O-N 3.16Å; A200-C223 WeakPolarHBondContact CA-O 3.27Å
201L95.9Very high96.4Very high48 Ų4857.6 Ų57.625%0.25131%0.309SS..THydrogen-bonded Turntrans-51.3-32.3173.7-77.8167.8000114.6V222 C223 D224 Q230 N253 M256L201-V222 HydrophobicContact CD2-CG1 3.85Å; L201-V222 HydrophobicContact CG-CG1 4.29Å; L201-C223 PolarHBondContact N-O 3.17Å; L201-D224 HydrophobicContact CD1-CB 4.06Å; L201-Q230 HydrophobicContact CD1-CG 4.19Å; L201-Q230 HydrophobicContact CD2-CB 3.95Å; L201-Q230 HydrophobicContact CD2-CG 4.32Å; L201-Q230 HydrophobicContact CG-CG 4.45Å; L201-N253 HydrophobicContact CD2-CB 3.81Å; L201-M256 HydrophobicContact CD2-CE 3.83Å; L201-M256 HydrophobicContact CD2-SD 4.34Å
202T95.4Very high96.3Very high125 Ų12554.1 Ų54.177%0.76730%0.296SS*.THydrogen-bonded Turntrans-90.4-3.9-17854.30000113.5A200A200-T202 PolarHBondContact O-N 2.94Å; A200-T202 VanDerWaalsContact O-N 3.1Å
203A97.6Very high96.1Very high15 Ų1552.9 Ų52.912%0.12431%0.305CS..SBendtrans-62.8150.1174.700000110V199 A200 D207 P251 V252V199-A203 HydrophobicContact CB-CB 3.79Å; V199-A203 HydrophobicContact CG1-CB 4.4Å; V199-A203 HydrophobicContact CG2-CB 4.23Å; A200-A203 WeakPolarHBondContact O-CB 3.37Å; A200-A203 PolarHBondContact O-N 3.16Å; A203-D207 HydrophobicContact CB-CB 4.11Å; A203-P251 CarbonylContact O-C 3.6Å; A203-P251 WeakPolarHBondContact O-CA 3.49Å; A203-V252 HydrophobicContact CB-CG1 4.44Å; A203-V252 WeakPolarHBondContact O-CB 3.38Å; A203-V252 WeakPolarHBondContact O-CG1 3.41Å; A203-V252 PolarHBondContact O-N 2.79Å
204S98.2Very high96Very high24 Ų2452.9 Ų52.917%0.16830%0.296CS..BIsolated β-bridgetrans-75.9161.4177.267.50000111.5M206 D207 A208 T250S204-M206 PolarHBondContact O-N 3.13Å; S204-D207 WeakPolarHBondContact CB-OD2 3.37Å; S204-D207 PolarHBondContact N-OD2 3.02Å; S204-D207 PolarHBondContact O-N 2.97Å; S204-D207 VanDerWaalsContact O-N 3.09Å; S204-D207 PolarHBondContact OG-N 3.24Å; S204-D207 VanDerWaalsContact OG-N 3.15Å; S204-D207 PolarHBondContact OG-OD2 3.28Å; S204-A208 PolarHBondContact O-N 3.17Å; S204-A208 VanDerWaalsContact O-N 3.11Å; S204-T250 CarbonylContact C-O 3.56Å; S204-T250 WeakPolarHBondContact CA-O 3.37Å
205V98Very high95.9Very high0 Ų047.2 Ų47.20%027%0.266CS..Hα-helixtrans-57.2-33.8169.6171.40000111.3A208 M209 F233 L238 L248 T250 A255V205-A208 PolarHBondContact O-N 2.95Å; V205-M209 WeakPolarHBondContact O-CB 3.45Å; V205-M209 PolarHBondContact O-N 3.25Å; V205-F233 HydrophobicContact CG1-CZ 3.89Å; V205-L238 HydrophobicContact CG1-CD1 3.9Å; V205-L248 HydrophobicContact CG1-CD2 3.8Å; V205-L248 PolarHBondContact N-O 2.81Å; V205-T250 WeakPolarHBondContact CG2-O 3.15Å; V205-T250 PolarHBondContact N-O 3.38Å; V205-A255 HydrophobicContact CG2-CB 3.73Å
206M97.8Very high95.5Very high72 Ų7248.3 Ų48.336%0.35528%0.281SS..Hα-helixtrans-59.8-48172.2179.966.381.400112S204 A208 M209 L210 L248S204-M206 PolarHBondContact O-N 3.13Å; M206-A208 VanDerWaalsContact C-N 3.32Å; M206-A208 PolarHBondContact O-N 2.98Å; M206-M209 HydrophobicContact CE-CE 4.35Å; M206-M209 WeakPolarHBondContact O-CB 3.25Å; M206-M209 PolarHBondContact O-N 3.17Å; M206-M209 HydrophobicContact SD-CE 3.37Å; M206-M209 WeakPolarHBondContact SD-CE 3.47Å; M206-L210 HydrophobicContact CG-CD1 4.37Å; M206-L210 WeakPolarHBondContact O-CG 3.13Å; M206-L210 PolarHBondContact O-N 2.65Å; M206-L248 HydrophobicContact CB-CB 4.3Å; M206-L248 HydrophobicContact CE-CB 4.29Å; M206-L248 HydrophobicContact CE-CD1 3.62Å; M206-L248 PolarHBondContact N-O 2.79Å
207D97.6Very high95.2Very high77 Ų7747.9 Ų47.941%0.41228%0.279SS..Hα-helixtrans-61.1-43.8179.9-59.2-44.7000110.8A203 S204 M209 L210 E211A203-D207 HydrophobicContact CB-CB 4.11Å; S204-D207 WeakPolarHBondContact CB-OD2 3.37Å; S204-D207 PolarHBondContact N-OD2 3.02Å; S204-D207 PolarHBondContact O-N 2.97Å; S204-D207 VanDerWaalsContact O-N 3.09Å; S204-D207 PolarHBondContact OG-N 3.24Å; S204-D207 VanDerWaalsContact OG-N 3.15Å; S204-D207 PolarHBondContact OG-OD2 3.28Å; D207-M209 VanDerWaalsContact C-N 3.34Å; D207-M209 PolarHBondContact O-N 2.95Å; D207-L210 PolarHBondContact O-N 3.24Å; D207-E211 WeakPolarHBondContact O-CB 3.49Å; D207-E211 PolarHBondContact O-N 3.45Å
208A97Very high94.9Very high0 Ų049 Ų490%029%0.291CS..Hα-helixtrans-63.8-37.4176.200000112.5V199 S204 V205 M206 E211 L212 F233 V252V199-A208 HydrophobicContact CG2-CB 4.24Å; S204-A208 PolarHBondContact O-N 3.17Å; S204-A208 VanDerWaalsContact O-N 3.11Å; V205-A208 PolarHBondContact O-N 2.95Å; M206-A208 VanDerWaalsContact C-N 3.32Å; M206-A208 PolarHBondContact O-N 2.98Å; A208-E211 PolarHBondContact O-N 3.3Å; A208-L212 WeakPolarHBondContact O-CG 3.43Å; A208-L212 PolarHBondContact O-N 3Å; A208-F233 HydrophobicContact CB-CD1 3.59Å; A208-F233 HydrophobicContact CB-CE1 3.92Å; A208-F233 HydrophobicContact CB-CG 4.23Å; A208-V252 HydrophobicContact CB-CB 4.38Å; A208-V252 HydrophobicContact CB-CG2 3.69Å
209M95.8Very high94.8Very high48 Ų4846.1 Ų46.124%0.23628%0.277CS..Hα-helixtrans-66.2-40.6175.6-179.8-177.274.200112.6V205 M206 D207 E211 L212 S213 L238V205-M209 WeakPolarHBondContact O-CB 3.45Å; V205-M209 PolarHBondContact O-N 3.25Å; M206-M209 HydrophobicContact CE-CE 4.35Å; M206-M209 WeakPolarHBondContact O-CB 3.25Å; M206-M209 PolarHBondContact O-N 3.17Å; M206-M209 HydrophobicContact SD-CE 3.37Å; M206-M209 WeakPolarHBondContact SD-CE 3.47Å; D207-M209 VanDerWaalsContact C-N 3.34Å; D207-M209 PolarHBondContact O-N 2.95Å; M209-E211 VanDerWaalsContact C-N 3.3Å; M209-L212 WeakPolarHBondContact O-CB 3.48Å; M209-L212 PolarHBondContact O-N 2.85Å; M209-S213 PolarHBondContact O-N 3.38Å; M209-S213 VanDerWaalsContact O-N 3.1Å; M209-S213 PolarHBondContact O-OG 3.07Å; M209-L238 HydrophobicContact CB-CD2 4.2Å; M209-L238 HydrophobicContact CG-CD2 3.66Å; M209-L238 HydrophobicContact SD-CD1 4.38Å; M209-L238 HydrophobicContact SD-CD2 3.9Å
210L96.1Very high94.8Very high104 Ų10445.1 Ų45.155%0.54527%0.271SS..Hα-helixtrans-63.7-40.5175-69.4173.6000110.8M206 D207 S213 R214M206-L210 HydrophobicContact CG-CD1 4.37Å; M206-L210 WeakPolarHBondContact O-CG 3.13Å; M206-L210 PolarHBondContact O-N 2.65Å; D207-L210 PolarHBondContact O-N 3.24Å; L210-S213 WeakPolarHBondContact O-CB 3.45Å; L210-S213 PolarHBondContact O-N 3.29Å; L210-R214 WeakPolarHBondContact O-CB 3.25Å; L210-R214 PolarHBondContact O-N 2.91Å
211E95.8Very high94.7Very high31 Ų3142.7 Ų42.715%0.14525%0.251CS..Hα-helixtrans-68.8-38.7178.4-170.863.3-173.100113.1P197 Q198 V199 D207 A208 M209 S213 R214 T215 V220P197-E211 WeakPolarHBondContact CA-OE1 3.49Å; P197-E211 HydrophobicContact CB-CG 4.2Å; Q198-E211 PolarHBondContact N-OE1 2.7Å; V199-E211 HydrophobicContact CG1-CB 4.15Å; V199-E211 HydrophobicContact CG1-CG 4.29Å; D207-E211 WeakPolarHBondContact O-CB 3.49Å; D207-E211 PolarHBondContact O-N 3.45Å; A208-E211 PolarHBondContact O-N 3.3Å; M209-E211 VanDerWaalsContact C-N 3.3Å; E211-S213 VanDerWaalsContact C-N 3.28Å; E211-S213 PolarHBondContact O-N 2.92Å; E211-R214 PolarHBondContact O-N 3.12Å; E211-R214 IonicContact OE1-CZ 2.98Å; E211-R214 IonicContact OE1-NE 2.95Å; E211-R214 PolarHBondContact OE1-NE 2.83Å; E211-R214 IonicContact OE1-NH2 3.03Å; E211-R214 PolarHBondContact OE1-NH2 2.99Å; E211-R214 IonicContact OE2-CZ 3.27Å; E211-R214 IonicContact OE2-NE 3.08Å; E211-R214 PolarHBondContact OE2-NE 3.34Å; E211-R214 IonicContact OE2-NH2 2.71Å; E211-T215 PolarHBondContact O-N 3.34Å; E211-T215 PolarHBondContact O-OG1 2.56Å; E211-V220 HydrophobicContact CB-CG2 3.91Å; E211-V220 HydrophobicContact CG-CG1 4.16Å; E211-V220 HydrophobicContact CG-CG2 3.86Å
212L93.6Very high94.8Very high7 Ų740.4 Ų40.44%0.03724%0.239CC..Hα-helixtrans-54.6-47.5169.3-82.6172000110.9A208 M209 G216 L219 V220 F233A208-L212 WeakPolarHBondContact O-CG 3.43Å; A208-L212 PolarHBondContact O-N 3Å; M209-L212 WeakPolarHBondContact O-CB 3.48Å; M209-L212 PolarHBondContact O-N 2.85Å; L212-G216 PolarHBondContact O-N 3.09Å; L212-G216 VanDerWaalsContact O-N 3.13Å; L212-L219 VanDerWaalsContact CD2-C 3.41Å; L212-L219 VanDerWaalsContact CD2-CA 3.44Å; L212-V220 HydrophobicContact CB-CG2 4.25Å; L212-V220 HydrophobicContact CD2-CG2 3.77Å; L212-V220 HydrophobicContact CG-CG2 3.58Å; L212-F233 HydrophobicContact CD1-CD1 3.67Å; L212-F233 HydrophobicContact CD1-CE1 3.7Å; L212-F233 HydrophobicContact CG-CD1 4.42Å
213S92.3Very high94.9Very high92 Ų9234.5 Ų34.564%0.64320%0.203SC*.Hα-helixtrans-68.1-36.7-177.8-56.70000112.4M209 L210 E211M209-S213 PolarHBondContact O-N 3.38Å; M209-S213 VanDerWaalsContact O-N 3.1Å; M209-S213 PolarHBondContact O-OG 3.07Å; L210-S213 WeakPolarHBondContact O-CB 3.45Å; L210-S213 PolarHBondContact O-N 3.29Å; E211-S213 VanDerWaalsContact C-N 3.28Å; E211-S213 PolarHBondContact O-N 2.92Å
214R93.3Very high94.9Very high131 Ų13135.3 Ų35.349%0.49421%0.205SC..Hα-helixtrans-63.8-42.7-178.5-173.6-174.270.981.7-3.8112.6D194 L210 E211D194-R214 PolarHBondContact O-NH1 2.88Å; D194-R214 PolarHBondContact O-NH2 3.32Å; L210-R214 WeakPolarHBondContact O-CB 3.25Å; L210-R214 PolarHBondContact O-N 2.91Å; E211-R214 PolarHBondContact O-N 3.12Å; E211-R214 IonicContact OE1-CZ 2.98Å; E211-R214 IonicContact OE1-NE 2.95Å; E211-R214 PolarHBondContact OE1-NE 2.83Å; E211-R214 IonicContact OE1-NH2 3.03Å; E211-R214 PolarHBondContact OE1-NH2 2.99Å; E211-R214 IonicContact OE2-CZ 3.27Å; E211-R214 IonicContact OE2-NE 3.08Å; E211-R214 PolarHBondContact OE2-NE 3.34Å; E211-R214 IonicContact OE2-NH2 2.71Å
215T89.3Confident94.8Very high25 Ų2538.7 Ų38.715%0.15323%0.234CC..Hα-helixtrans-95.5-26.4-171.762.60000113.8P197 E211 L217P197-T215 HydrophobicContact CB-CG2 3.7Å; P197-T215 WeakPolarHBondContact CB-OG1 3.2Å; P197-T215 HydrophobicContact CG-CG2 4.27Å; E211-T215 PolarHBondContact O-N 3.34Å; E211-T215 PolarHBondContact O-OG1 2.56Å; T215-L217 PolarHBondContact O-N 3.34Å
216G86.8Confident94.7Very high62 Ų6244.8 Ų44.864%0.63926%0.263SS*.  trans64.814.4-177.600000114.4L212 G218L212-G216 PolarHBondContact O-N 3.09Å; L212-G216 VanDerWaalsContact O-N 3.13Å; G216-G218 VanDerWaalsContact C-N 3.29Å; G216-G218 PolarHBondContact O-N 3.5Å
217L90.5Very high94.6Very high7 Ų744.8 Ų44.84%0.03726%0.262CS..SBendtrans-77.9-15.5-178.5-157.773.9000112.8R191 P197 T215 L219 A283 A296 N298R191-L217 HydrophobicContact CG-CD1 4.4Å; P197-L217 HydrophobicContact CG-CB 4.1Å; P197-L217 HydrophobicContact CG-CD2 3.79Å; T215-L217 PolarHBondContact O-N 3.34Å; L217-L219 VanDerWaalsContact C-N 3.3Å; L217-L219 HydrophobicContact CD2-CG 4.41Å; L217-A283 HydrophobicContact CG-CB 4.35Å; L217-A296 HydrophobicContact CD2-CB 3.34Å; L217-N298 HydrophobicContact CD1-CB 3.77Å; L217-N298 HydrophobicContact CG-CB 4.2Å
218G89.5Confident94.6Very high23 Ų2343.5 Ų43.524%0.23725%0.253CS..SBendtrans81.43.4-178.200000114.8G216G216-G218 VanDerWaalsContact C-N 3.29Å; G216-G218 PolarHBondContact O-N 3.5Å
219L94.8Very high94.6Very high5 Ų544.8 Ų44.83%0.02626%0.261CS..EExtended strand (participates in β ladder)trans-145.3161.5170.874.983.2000111.5P197 L212 L217 F233 T234 A283 A284 P285P197-L219 VanDerWaalsContact CB-O 3.24Å; P197-L219 WeakPolarHBondContact CB-O 3.32Å; P197-L219 HydrophobicContact CG-CD1 4.36Å; P197-L219 WeakPolarHBondContact CG-O 3.47Å; L212-L219 VanDerWaalsContact CD2-C 3.41Å; L212-L219 VanDerWaalsContact CD2-CA 3.44Å; L217-L219 VanDerWaalsContact C-N 3.3Å; L217-L219 HydrophobicContact CD2-CG 4.41Å; L219-F233 CarbonylContact C-O 3.58Å; L219-F233 WeakPolarHBondContact CA-O 3.45Å; L219-T234 HydrophobicContact CB-CG2 3.97Å; L219-A283 HydrophobicContact CD2-CB 3.36Å; L219-A283 WeakPolarHBondContact CD2-O 3.19Å; L219-A283 HydrophobicContact CG-CB 4.08Å; L219-A284 VanDerWaalsContact CD2-CA 3.44Å; L219-A284 VanDerWaalsContact CD2-N 3.28Å; L219-P285 HydrophobicContact CD1-CG 4.19Å
220V96.9Very high94.7Very high0 Ų046 Ų460%027%0.267CS..EExtended strand (participates in β ladder)trans-127.9132.9166.6174.80000108.6P197 V199 E211 L212 V232 F233P197-V220 HydrophobicContact CB-CB 4.44Å; P197-V220 HydrophobicContact CB-CG2 3.95Å; V199-V220 HydrophobicContact CB-CG1 4.25Å; V199-V220 HydrophobicContact CG1-CG1 3.93Å; V199-V220 HydrophobicContact CG2-CG1 3.72Å; E211-V220 HydrophobicContact CB-CG2 3.91Å; E211-V220 HydrophobicContact CG-CG1 4.16Å; E211-V220 HydrophobicContact CG-CG2 3.86Å; L212-V220 HydrophobicContact CB-CG2 4.25Å; L212-V220 HydrophobicContact CD2-CG2 3.77Å; L212-V220 HydrophobicContact CG-CG2 3.58Å; V220-V232 WeakPolarHBondContact O-CA 3.4Å; V220-F233 PolarHBondContact N-O 3.45Å; V220-F233 PolarHBondContact O-N 3.44Å
221A97.6Very high94.7Very high0 Ų041.1 Ų41.10%024%0.241CC..EExtended strand (participates in β ladder)trans-77.5126.2171.400000109.8P197 Q198 V199 P285 L293P197-A221 PolarHBondContact O-N 3.2Å; Q198-A221 CarbonylContact C-O 3.54Å; Q198-A221 WeakPolarHBondContact CA-O 3.34Å; Q198-A221 HydrophobicContact CB-CB 4.37Å; V199-A221 PolarHBondContact N-O 3.15Å; A221-P285 HydrophobicContact CB-CB 4.02Å; A221-P285 HydrophobicContact CB-CG 3.91Å; A221-L293 HydrophobicContact CB-CD1 3.9Å; A221-L293 HydrophobicContact CB-CD2 3.84Å
222V97.7Very high94.8Very high0 Ų040.5 Ų40.50%024%0.239CC..EExtended strand (participates in β ladder)trans-97.8117175-172.60000108.3V199 L201 Q230 G231 F233 V252 M256V199-V222 HydrophobicContact CG2-CG2 4.13Å; V199-V222 WeakPolarHBondContact O-CA 3.4Å; L201-V222 HydrophobicContact CD2-CG1 3.85Å; L201-V222 HydrophobicContact CG-CG1 4.29Å; V222-Q230 PolarHBondContact O-N 3.48Å; V222-G231 PolarHBondContact N-O 2.87Å; V222-G231 PolarHBondContact O-N 3.33Å; V222-F233 HydrophobicContact CG2-CB 4.22Å; V222-V252 HydrophobicContact CG1-CG1 3.84Å; V222-V252 HydrophobicContact CG2-CG1 4.23Å; V222-V252 HydrophobicContact CG2-CG2 4.17Å; V222-M256 HydrophobicContact CB-SD 3.64Å; V222-M256 HydrophobicContact CG1-SD 3.64Å; V222-M256 HydrophobicContact CG2-CB 4.2Å; V222-M256 HydrophobicContact CG2-SD 3.89Å
223C97.5Very high94.9Very high2 Ų240.1 Ų40.11%0.01424%0.237CC..EExtended strand (participates in β ladder)trans-117.8155.4-172.8-59.10000113V199 A200 L201 Q228V199-C223 PolarHBondContact O-N 3.27Å; A200-C223 WeakPolarHBondContact CA-O 3.27Å; L201-C223 PolarHBondContact N-O 3.17Å; C223-Q228 WeakPolarHBondContact CA-O 3.29Å
224D96.7Very high95Very high32 Ų3237.5 Ų37.517%0.17122%0.217CC..  trans-84.3-176168.166.820.7000112.7L201 Q226 Q227 Q228 Q230L201-D224 HydrophobicContact CD1-CB 4.06Å; D224-Q226 PolarHBondContact O-N 3.1Å; D224-Q226 VanDerWaalsContact OD1-CA 3.32Å; D224-Q226 WeakPolarHBondContact OD1-CA 3.29Å; D224-Q226 WeakPolarHBondContact OD1-CB 3.45Å; D224-Q226 PolarHBondContact OD1-N 3Å; D224-Q227 PolarHBondContact O-N 3.2Å; D224-Q227 VanDerWaalsContact O-N 3.07Å; D224-Q227 PolarHBondContact OD1-N 3.23Å; D224-Q227 VanDerWaalsContact OD1-N 3.08Å; D224-Q228 PolarHBondContact N-O 2.8Å; D224-Q228 VanDerWaalsContact N-O 3.09Å; D224-Q228 PolarHBondContact OD1-N 3.39Å; D224-Q228 WeakPolarHBondContact OD2-CB 3.45Å; D224-Q230 HydrophobicContact CB-CG 4.09Å; D224-Q230 PolarHBondContact OD2-NE2 2.95Å
225A95.9Very high94.9Very high94 Ų9435.3 Ų35.378%0.77722%0.215SC*.THydrogen-bonded Turntrans-65-19179.300000113.6
226Q96Very high95Very high129 Ų12935.4 Ų35.460%0.60322%0.221SC*.THydrogen-bonded Turntrans-94.67.1176.7-6971.931.900112.3D224 Q228D224-Q226 PolarHBondContact O-N 3.1Å; D224-Q226 VanDerWaalsContact OD1-CA 3.32Å; D224-Q226 WeakPolarHBondContact OD1-CA 3.29Å; D224-Q226 WeakPolarHBondContact OD1-CB 3.45Å; D224-Q226 PolarHBondContact OD1-N 3Å; Q226-Q228 HydrophobicContact CB-CG 4.14Å; Q226-Q228 PolarHBondContact O-N 3.18Å
227Q96.2Very high95.4Very high71 Ų7132.8 Ų32.833%0.33219%0.193SC..  trans63.424.1-176.5-62-76.9-81.400113.4D224 K292 L293D224-Q227 PolarHBondContact O-N 3.2Å; D224-Q227 VanDerWaalsContact O-N 3.07Å; D224-Q227 PolarHBondContact OD1-N 3.23Å; D224-Q227 VanDerWaalsContact OD1-N 3.08Å; Q227-K292 HydrophobicContact CB-CD 4.5Å; Q227-K292 HydrophobicContact CB-CG 3.86Å; Q227-K292 WeakPolarHBondContact O-CA 3.21Å; Q227-L293 PolarHBondContact O-N 2.89Å
228Q97.3Very high95.6Very high50 Ų5033.3 Ų33.323%0.23420%0.196CC..BIsolated β-bridgetrans-81.2136.3171.6-56.3-64.2-50.600109.5C223 D224 Q226 Q230 N290 G291C223-Q228 WeakPolarHBondContact CA-O 3.29Å; D224-Q228 PolarHBondContact N-O 2.8Å; D224-Q228 VanDerWaalsContact N-O 3.09Å; D224-Q228 PolarHBondContact OD1-N 3.39Å; D224-Q228 WeakPolarHBondContact OD2-CB 3.45Å; Q226-Q228 HydrophobicContact CB-CG 4.14Å; Q226-Q228 PolarHBondContact O-N 3.18Å; Q228-Q230 PolarHBondContact O-N 2.79Å; Q228-N290 PolarHBondContact OE1-O 2.85Å; Q228-G291 VanDerWaalsContact OE1-CA 3.3Å; Q228-G291 PolarHBondContact OE1-O 3.28Å; Q228-G291 VanDerWaalsContact OE1-O 3.13Å
229V97.5Very high95.8Very high27 Ų2740.5 Ų40.516%0.16422%0.216CC..EExtended strand (participates in β ladder)trans-76115.3179.4-1780000109.6T262 P285 V287 L293V229-T262 HydrophobicContact CB-CG2 4.19Å; V229-T262 HydrophobicContact CG1-CG2 3.89Å; V229-P285 HydrophobicContact CG1-CB 4.29Å; V229-P285 HydrophobicContact CG1-CG 4.19Å; V229-P285 HydrophobicContact CG2-CB 4.25Å; V229-V287 HydrophobicContact CB-CG1 4.26Å; V229-V287 HydrophobicContact CG2-CG1 3.58Å; V229-L293 HydrophobicContact CG2-CB 3.91Å; V229-L293 HydrophobicContact CG2-CD1 3.66Å; V229-L293 HydrophobicContact CG2-CG 4.34Å
230Q97.2Very high95.9Very high75 Ų7547.7 Ų47.735%0.3524%0.242SC..EExtended strand (participates in β ladder)trans-97.8-22.7179.8-60.7-61.1-2800112.2L201 V222 D224 Q228 M256 G259L201-Q230 HydrophobicContact CD1-CG 4.19Å; L201-Q230 HydrophobicContact CD2-CB 3.95Å; L201-Q230 HydrophobicContact CD2-CG 4.32Å; L201-Q230 HydrophobicContact CG-CG 4.45Å; V222-Q230 PolarHBondContact O-N 3.48Å; D224-Q230 HydrophobicContact CB-CG 4.09Å; D224-Q230 PolarHBondContact OD2-NE2 2.95Å; Q228-Q230 PolarHBondContact O-N 2.79Å; Q230-M256 HydrophobicContact CB-CE 4.4Å; Q230-G259 PolarHBondContact O-N 3.25Å
231G97Very high95.9Very high1 Ų150.4 Ų50.41%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-176.8-175178.300000113V222 T257V222-G231 PolarHBondContact N-O 2.87Å; V222-G231 PolarHBondContact O-N 3.33Å; G231-T257 WeakPolarHBondContact CA-O 3.3Å
232V96.8Very high95.8Very high17 Ų1754.2 Ų54.210%0.10327%0.273CS..EExtended strand (participates in β ladder)trans-130.1146175.6-63.50000110.5V220 M256 T257 P285V220-V232 WeakPolarHBondContact O-CA 3.4Å; V232-M256 WeakPolarHBondContact O-CB 3.29Å; V232-T257 PolarHBondContact N-O 3.03Å; V232-T257 PolarHBondContact O-N 2.85Å; V232-P285 HydrophobicContact CG1-CG 3.42Å; V232-P285 VanDerWaalsContact CG1-CG 3.42Å
233F96.5Very high95.7Very high0 Ų060.2 Ų60.20%031%0.309CS..EExtended strand (participates in β ladder)trans-121.5126.9172.2-174.7-102.4000109.2V205 A208 L212 L219 V220 V222 D237 L238 V252 A255V205-F233 HydrophobicContact CG1-CZ 3.89Å; A208-F233 HydrophobicContact CB-CD1 3.59Å; A208-F233 HydrophobicContact CB-CE1 3.92Å; A208-F233 HydrophobicContact CB-CG 4.23Å; L212-F233 HydrophobicContact CD1-CD1 3.67Å; L212-F233 HydrophobicContact CD1-CE1 3.7Å; L212-F233 HydrophobicContact CG-CD1 4.42Å; L219-F233 CarbonylContact C-O 3.58Å; L219-F233 WeakPolarHBondContact CA-O 3.45Å; V220-F233 PolarHBondContact N-O 3.45Å; V220-F233 PolarHBondContact O-N 3.44Å; V222-F233 HydrophobicContact CG2-CB 4.22Å; F233-D237 HydrophobicContact CD2-CB 3.85Å; F233-D237 HydrophobicContact CE2-CB 3.92Å; F233-L238 HydrophobicContact CE1-CB 3.92Å; F233-L238 HydrophobicContact CE1-CD1 4.38Å; F233-L238 HydrophobicContact CE2-CB 4.48Å; F233-L238 HydrophobicContact CZ-CB 3.58Å; F233-L238 HydrophobicContact CZ-CD1 3.92Å; F233-L238 HydrophobicContact CZ-CG 4.31Å; F233-V252 HydrophobicContact CB-CG2 3.99Å; F233-V252 HydrophobicContact CD1-CG2 4.46Å; F233-V252 HydrophobicContact CD2-CG2 3.91Å; F233-V252 HydrophobicContact CG-CG2 3.87Å; F233-A255 HydrophobicContact CD2-CB 4.4Å; F233-A255 HydrophobicContact CE2-CB 3.89Å
234T94.8Very high95.7Very high36 Ų3663.4 Ų63.422%0.22134%0.342CS..EExtended strand (participates in β ladder)trans-124.7167.2-174.265.90000111.8L219 G236 D237 L238L219-T234 HydrophobicContact CB-CG2 3.97Å; T234-G236 PolarHBondContact O-N 3.45Å; T234-G236 VanDerWaalsContact O-N 3.14Å; T234-G236 PolarHBondContact OG1-N 3.32Å; T234-D237 WeakPolarHBondContact CB-OD2 3.29Å; T234-D237 PolarHBondContact N-OD2 3.17Å; T234-D237 PolarHBondContact O-N 2.82Å; T234-D237 PolarHBondContact OG1-N 3.36Å; T234-D237 VanDerWaalsContact OG1-N 3.13Å; T234-D237 PolarHBondContact OG1-OD2 3.19Å; T234-L238 PolarHBondContact O-N 3.35Å
235D91.2Very high95.7Very high85 Ų8565 Ų6546%0.45537%0.367SS..Hα-helixtrans-54.2-32.2169.2-72.9-64.7000112.5R239D235-R239 VanDerWaalsContact O-CB 3.3Å; D235-R239 WeakPolarHBondContact O-CB 3.36Å; D235-R239 PolarHBondContact O-N 2.92Å
236G91.8Very high95.7Very high27 Ų2761.5 Ų61.528%0.27834%0.339SS..Hα-helixtrans-70.2-38.4176.100000112.9T234 R240T234-G236 PolarHBondContact O-N 3.45Å; T234-G236 VanDerWaalsContact O-N 3.14Å; T234-G236 PolarHBondContact OG1-N 3.32Å; G236-R240 WeakPolarHBondContact O-CB 3.3Å; G236-R240 WeakPolarHBondContact O-CG 3.11Å; G236-R240 PolarHBondContact O-N 3.31Å; G236-R240 PolarHBondContact O-NE 2.75Å
237D94.4Very high95.7Very high8 Ų857.5 Ų57.54%0.04333%0.328CS..Hα-helixtrans-67.6-47.9173.6-59.4-54.6000110.4F233 T234 R239 R240 W241 T257F233-D237 HydrophobicContact CD2-CB 3.85Å; F233-D237 HydrophobicContact CE2-CB 3.92Å; T234-D237 WeakPolarHBondContact CB-OD2 3.29Å; T234-D237 PolarHBondContact N-OD2 3.17Å; T234-D237 PolarHBondContact O-N 2.82Å; T234-D237 PolarHBondContact OG1-N 3.36Å; T234-D237 VanDerWaalsContact OG1-N 3.13Å; T234-D237 PolarHBondContact OG1-OD2 3.19Å; D237-R239 VanDerWaalsContact C-N 3.35Å; D237-R239 PolarHBondContact O-N 3.3Å; D237-R240 PolarHBondContact O-N 3.47Å; D237-R240 IonicContact OD1-CZ 3.41Å; D237-R240 IonicContact OD1-NH1 3.76Å; D237-R240 IonicContact OD1-NH2 2.63Å; D237-R240 PolarHBondContact OD1-NH2 2.84Å; D237-W241 WeakPolarHBondContact O-CB 3.37Å; D237-W241 PolarHBondContact O-N 2.95Å; D237-T257 PolarHBondContact OD1-OG1 3.02Å
238L94.9Very high95.7Very high17 Ų1756.5 Ų56.59%0.08933%0.325CS..Hα-helixtrans-53.9-49.4175.7177.561.9000111.9V205 M209 F233 T234 R240 W241 L242 L248V205-L238 HydrophobicContact CG1-CD1 3.9Å; M209-L238 HydrophobicContact CB-CD2 4.2Å; M209-L238 HydrophobicContact CG-CD2 3.66Å; M209-L238 HydrophobicContact SD-CD1 4.38Å; M209-L238 HydrophobicContact SD-CD2 3.9Å; F233-L238 HydrophobicContact CE1-CB 3.92Å; F233-L238 HydrophobicContact CE1-CD1 4.38Å; F233-L238 HydrophobicContact CE2-CB 4.48Å; F233-L238 HydrophobicContact CZ-CB 3.58Å; F233-L238 HydrophobicContact CZ-CD1 3.92Å; F233-L238 HydrophobicContact CZ-CG 4.31Å; T234-L238 PolarHBondContact O-N 3.35Å; L238-R240 PolarHBondContact O-N 3.3Å; L238-W241 PolarHBondContact O-N 2.75Å; L238-L242 HydrophobicContact CD1-CD1 3.9Å; L238-L242 HydrophobicContact CD1-CG 4.12Å; L238-L242 HydrophobicContact CG-CD1 4.09Å; L238-L242 WeakPolarHBondContact O-CG 3.33Å; L238-L242 PolarHBondContact O-N 3.07Å; L238-L248 HydrophobicContact CD1-CD2 4.28Å
239R94.2Very high95.7Very high175 Ų17560 Ų6066%0.6635%0.35SS*.Hα-helixtrans-59.8-47.5178.5-173.2-171.5-53.41674.8111.7D235 D237 W241 V243D235-R239 VanDerWaalsContact O-CB 3.3Å; D235-R239 WeakPolarHBondContact O-CB 3.36Å; D235-R239 PolarHBondContact O-N 2.92Å; D237-R239 VanDerWaalsContact C-N 3.35Å; D237-R239 PolarHBondContact O-N 3.3Å; R239-W241 VanDerWaalsContact C-N 3.34Å; R239-V243 WeakPolarHBondContact O-CB 3.42Å; R239-V243 VanDerWaalsContact O-CG2 3.27Å; R239-V243 WeakPolarHBondContact O-CG2 3.33Å; R239-V243 PolarHBondContact O-N 3.06Å
240R95.4Very high95.7Very high155 Ų15559.9 Ų59.959%0.58535%0.349SS*.Hα-helixtrans-63.2-41179.1-79.2175.6-76156.9-1.3111.4G236 D237 L238 G244G236-R240 WeakPolarHBondContact O-CB 3.3Å; G236-R240 WeakPolarHBondContact O-CG 3.11Å; G236-R240 PolarHBondContact O-N 3.31Å; G236-R240 PolarHBondContact O-NE 2.75Å; D237-R240 PolarHBondContact O-N 3.47Å; D237-R240 IonicContact OD1-CZ 3.41Å; D237-R240 IonicContact OD1-NH1 3.76Å; D237-R240 IonicContact OD1-NH2 2.63Å; D237-R240 PolarHBondContact OD1-NH2 2.84Å; L238-R240 PolarHBondContact O-N 3.3Å; R240-G244 PolarHBondContact O-N 3.27Å
241W96.6Very high95.8Very high57 Ų5758.6 Ų58.622%0.21635%0.347CS..Hα-helixtrans-60.8-50.3177.5-175.5-105.7000112.2D237 L238 R239 G244 G245 G246 A247 T250 E254 A255D237-W241 WeakPolarHBondContact O-CB 3.37Å; D237-W241 PolarHBondContact O-N 2.95Å; L238-W241 PolarHBondContact O-N 2.75Å; R239-W241 VanDerWaalsContact C-N 3.34Å; W241-G244 PolarHBondContact O-N 2.99Å; W241-G245 PolarHBondContact O-N 2.98Å; W241-G246 PolarHBondContact O-N 2.69Å; W241-A247 PolarHBondContact NE1-O 2.85Å; W241-T250 HydrophobicContact CH2-CG2 4.1Å; W241-T250 HydrophobicContact CZ2-CG2 3.68Å; W241-E254 HydrophobicContact CH2-CB 4.1Å; W241-E254 WeakPolarHBondContact CZ3-O 3.17Å; W241-A255 HydrophobicContact CB-CB 4.43Å; W241-A255 HydrophobicContact CD2-CB 3.52Å; W241-A255 HydrophobicContact CE3-CB 3.57Å; W241-A255 HydrophobicContact CG-CB 3.91Å; W241-A255 HydrophobicContact CH2-CB 4.46Å; W241-A255 HydrophobicContact CZ2-CB 4.43Å; W241-A255 HydrophobicContact CZ3-CB 4.05Å
242L96.4Very high95.8Very high81 Ų8158.6 Ų58.642%0.42435%0.347SS..Hα-helixtrans-64.7-41.8179.7-70.5175.3000112.6L238 G244 G245 L248L238-L242 HydrophobicContact CD1-CD1 3.9Å; L238-L242 HydrophobicContact CD1-CG 4.12Å; L238-L242 HydrophobicContact CG-CD1 4.09Å; L238-L242 WeakPolarHBondContact O-CG 3.33Å; L238-L242 PolarHBondContact O-N 3.07Å; L242-G244 PolarHBondContact O-N 3.21Å; L242-G245 PolarHBondContact O-N 2.89Å; L242-L248 HydrophobicContact CD2-CD2 3.82Å; L242-L248 HydrophobicContact CD2-CG 4.25Å
243V96.2Very high95.7Very high126 Ų12661 Ų6176%0.76436%0.36SS*.Hα-helixtrans-64-32.4175.61710000111.4R239 G245R239-V243 WeakPolarHBondContact O-CB 3.42Å; R239-V243 VanDerWaalsContact O-CG2 3.27Å; R239-V243 WeakPolarHBondContact O-CG2 3.33Å; R239-V243 PolarHBondContact O-N 3.06Å; V243-G245 PolarHBondContact O-N 2.89Å
244G96.3Very high95.7Very high68 Ų6867 Ų6770%0.70139%0.387SS*.THydrogen-bonded Turntrans-72.7-2.1173.500000114.9R240 W241 L242R240-G244 PolarHBondContact O-N 3.27Å; W241-G244 PolarHBondContact O-N 2.99Å; L242-G244 PolarHBondContact O-N 3.21Å
245G96.2Very high95.7Very high67 Ų6765.8 Ų65.869%0.69138%0.381SS*.THydrogen-bonded Turntrans81.115.3-176.500000114.3W241 L242 V243W241-G245 PolarHBondContact O-N 2.98Å; L242-G245 PolarHBondContact O-N 2.89Å; V243-G245 PolarHBondContact O-N 2.89Å
246G96.1Very high95.9Very high19 Ų1963 Ų6320%0.19637%0.366CS..  trans-66.4142.4177.700000112.7W241W241-G246 PolarHBondContact O-N 2.69Å
247A97.1Very high96.1Very high45 Ų4564.4 Ų64.437%0.37237%0.369SS..  trans-83.4147.3178.500000111.4W241 T249 T250W241-A247 PolarHBondContact NE1-O 2.85Å; A247-T249 PolarHBondContact O-N 2.87Å; A247-T250 WeakPolarHBondContact O-CB 3.46Å; A247-T250 PolarHBondContact O-N 3.41Å; A247-T250 PolarHBondContact O-OG1 3.1Å
248L96.7Very high96.1Very high51 Ų5169.3 Ų69.327%0.26740%0.399SS..THydrogen-bonded Turntrans-71.7-19.2174.9-68.4178.5000112.9V205 M206 L238 L242 T250V205-L248 HydrophobicContact CG1-CD2 3.8Å; V205-L248 PolarHBondContact N-O 2.81Å; M206-L248 HydrophobicContact CB-CB 4.3Å; M206-L248 HydrophobicContact CE-CB 4.29Å; M206-L248 HydrophobicContact CE-CD1 3.62Å; M206-L248 PolarHBondContact N-O 2.79Å; L238-L248 HydrophobicContact CD1-CD2 4.28Å; L242-L248 HydrophobicContact CD2-CD2 3.82Å; L242-L248 HydrophobicContact CD2-CG 4.25Å; L248-T250 VanDerWaalsContact C-N 3.32Å
249T97.4Very high95.7Very high123 Ų12371.5 Ų71.576%0.75543%0.426SS*.THydrogen-bonded Turntrans-82-9.1176.9530000113.2A247A247-T249 PolarHBondContact O-N 2.87Å
250T97.3Very high95.2Very high25 Ų2564.1 Ų64.115%0.15340%0.404CS..SBendtrans-67.4144.6178.4-56.30000110.3S204 V205 W241 A247 L248 E254S204-T250 CarbonylContact C-O 3.56Å; S204-T250 WeakPolarHBondContact CA-O 3.37Å; V205-T250 WeakPolarHBondContact CG2-O 3.15Å; V205-T250 PolarHBondContact N-O 3.38Å; W241-T250 HydrophobicContact CH2-CG2 4.1Å; W241-T250 HydrophobicContact CZ2-CG2 3.68Å; A247-T250 WeakPolarHBondContact O-CB 3.46Å; A247-T250 PolarHBondContact O-N 3.41Å; A247-T250 PolarHBondContact O-OG1 3.1Å; L248-T250 VanDerWaalsContact C-N 3.32Å; T250-E254 HydrophobicContact CG2-CB 3.93Å; T250-E254 HydrophobicContact CG2-CG 4.2Å; T250-E254 VanDerWaalsContact CG2-OE2 3.3Å; T250-E254 WeakPolarHBondContact CG2-OE2 3.24Å
251P97.6Very high95.1Very high48 Ų4857.8 Ų57.831%0.31238%0.383SS..BIsolated β-bridgetrans-54.1137.3169-29.639000112.9A203 N253 E254A203-P251 CarbonylContact O-C 3.6Å; A203-P251 WeakPolarHBondContact O-CA 3.49Å; P251-N253 WeakPolarHBondContact CB-OD1 3.42Å; P251-N253 PolarHBondContact O-N 3.03Å; P251-E254 PolarHBondContact O-N 2.62Å; P251-E254 VanDerWaalsContact O-N 3.16Å
252V97.3Very high95.1Very high0 Ų057.7 Ų57.70%039%0.389CS..G310 helixtrans-63.8-27.2-175.869.70000112.5V199 A203 A208 V222 F233 E254 A255 M256V199-V252 HydrophobicContact CG2-CG1 4.05Å; A203-V252 HydrophobicContact CB-CG1 4.44Å; A203-V252 WeakPolarHBondContact O-CB 3.38Å; A203-V252 WeakPolarHBondContact O-CG1 3.41Å; A203-V252 PolarHBondContact O-N 2.79Å; A208-V252 HydrophobicContact CB-CB 4.38Å; A208-V252 HydrophobicContact CB-CG2 3.69Å; V222-V252 HydrophobicContact CG1-CG1 3.84Å; V222-V252 HydrophobicContact CG2-CG1 4.23Å; V222-V252 HydrophobicContact CG2-CG2 4.17Å; F233-V252 HydrophobicContact CB-CG2 3.99Å; F233-V252 HydrophobicContact CD1-CG2 4.46Å; F233-V252 HydrophobicContact CD2-CG2 3.91Å; F233-V252 HydrophobicContact CG-CG2 3.87Å; V252-E254 PolarHBondContact O-N 2.93Å; V252-A255 CarbonylContact O-C 3.08Å; V252-A255 PolarHBondContact O-N 3.27Å; V252-M256 WeakPolarHBondContact O-CB 3.36Å; V252-M256 PolarHBondContact O-N 2.75Å
253N95.6Very high95.2Very high69 Ų6954 Ų5437%0.36937%0.369SS..G310 helixtrans-63.2-20177.767.6-20.5000113.7L201 P251 M256L201-N253 HydrophobicContact CD2-CB 3.81Å; P251-N253 WeakPolarHBondContact CB-OD1 3.42Å; P251-N253 PolarHBondContact O-N 3.03Å; N253-M256 HydrophobicContact CB-CE 4.05Å; N253-M256 HydrophobicContact CB-SD 4.36Å
254E95.7Very high95.2Very high124 Ų12451.5 Ų51.558%0.57935%0.349SS*.G310 helixtrans-82.2-20.7172.5-64.6-177.7-146.200112.9W241 T250 P251 V252W241-E254 HydrophobicContact CH2-CB 4.1Å; W241-E254 WeakPolarHBondContact CZ3-O 3.17Å; T250-E254 HydrophobicContact CG2-CB 3.93Å; T250-E254 HydrophobicContact CG2-CG 4.2Å; T250-E254 VanDerWaalsContact CG2-OE2 3.3Å; T250-E254 WeakPolarHBondContact CG2-OE2 3.24Å; P251-E254 PolarHBondContact O-N 2.62Å; P251-E254 VanDerWaalsContact O-N 3.16Å; V252-E254 PolarHBondContact O-N 2.93Å
255A95.8Very high95.3Very high12 Ų1248.9 Ų48.910%0.09932%0.32CS..THydrogen-bonded Turntrans-109-11.2-17600000113.9V205 F233 W241 V252V205-A255 HydrophobicContact CG2-CB 3.73Å; F233-A255 HydrophobicContact CD2-CB 4.4Å; F233-A255 HydrophobicContact CE2-CB 3.89Å; W241-A255 HydrophobicContact CB-CB 4.43Å; W241-A255 HydrophobicContact CD2-CB 3.52Å; W241-A255 HydrophobicContact CE3-CB 3.57Å; W241-A255 HydrophobicContact CG-CB 3.91Å; W241-A255 HydrophobicContact CH2-CB 4.46Å; W241-A255 HydrophobicContact CZ2-CB 4.43Å; W241-A255 HydrophobicContact CZ3-CB 4.05Å; V252-A255 CarbonylContact O-C 3.08Å; V252-A255 PolarHBondContact O-N 3.27Å
256M95.9Very high95.3Very high26 Ų2650 Ų5013%0.12831%0.307CS..SBendtrans-79.7159.9-176.375178.8-177.400113.3L201 V222 Q230 V232 V252 N253 V258L201-M256 HydrophobicContact CD2-CE 3.83Å; L201-M256 HydrophobicContact CD2-SD 4.34Å; V222-M256 HydrophobicContact CB-SD 3.64Å; V222-M256 HydrophobicContact CG1-SD 3.64Å; V222-M256 HydrophobicContact CG2-CB 4.2Å; V222-M256 HydrophobicContact CG2-SD 3.89Å; Q230-M256 HydrophobicContact CB-CE 4.4Å; V232-M256 WeakPolarHBondContact O-CB 3.29Å; V252-M256 WeakPolarHBondContact O-CB 3.36Å; V252-M256 PolarHBondContact O-N 2.75Å; N253-M256 HydrophobicContact CB-CE 4.05Å; N253-M256 HydrophobicContact CB-SD 4.36Å; M256-V258 HydrophobicContact CE-CG2 4.04Å; M256-V258 PolarHBondContact O-N 2.9Å
257T95.4Very high95.3Very high57 Ų5751 Ų5135%0.3531%0.312SS..EExtended strand (participates in β ladder)trans-82.3110.1163-65.20000109.6G231 V232 D237G231-T257 WeakPolarHBondContact CA-O 3.3Å; V232-T257 PolarHBondContact N-O 3.03Å; V232-T257 PolarHBondContact O-N 2.85Å; D237-T257 PolarHBondContact OD1-OG1 3.02Å
258V94.9Very high95Very high110 Ų11053.2 Ų53.267%0.66731%0.31SS*.EExtended strand (participates in β ladder)trans-67.4137.7178.7-1770000111.2M256 G260M256-V258 HydrophobicContact CE-CG2 4.04Å; M256-V258 PolarHBondContact O-N 2.9Å; V258-G260 PolarHBondContact O-N 3.06Å; V258-G260 VanDerWaalsContact O-N 3.17Å
259G85.1Confident94.9Very high64 Ų6450.8 Ų50.866%0.6630%0.297SS*.THydrogen-bonded Turntrans62.224.1172.800000114.6Q230Q230-G259 PolarHBondContact O-N 3.25Å
260G83.1Confident94.6Very high19 Ų1946.4 Ų46.420%0.19627%0.269CS..  trans-52.8174-178.300000114.5V258 T262V258-G260 PolarHBondContact O-N 3.06Å; V258-G260 VanDerWaalsContact O-N 3.17Å; G260-T262 PolarHBondContact O-N 2.76Å
261T93.8Very high94.4Very high23 Ų2348.6 Ų48.614%0.14128%0.28CS..  trans-67.6123.3-177.6-49.80000110.9I275 R279 I281 A284 P285T261-I275 HydrophobicContact CG2-CG2 3.93Å; T261-R279 WeakPolarHBondContact OG1-CD 3.33Å; T261-R279 PolarHBondContact OG1-NH1 3.42Å; T261-I281 VanDerWaalsContact CB-CD1 3.45Å; T261-I281 HydrophobicContact CG2-CD1 3.78Å; T261-A284 WeakPolarHBondContact O-CB 3.43Å; T261-P285 WeakPolarHBondContact O-CD 3.44Å
262T97Very high94.3Very high55 Ų5546.4 Ų46.434%0.33727%0.265SS..  trans-111156.2167.259.10000110.4V229 G260 P285 V287V229-T262 HydrophobicContact CB-CG2 4.19Å; V229-T262 HydrophobicContact CG1-CG2 3.89Å; G260-T262 PolarHBondContact O-N 2.76Å; T262-P285 WeakPolarHBondContact CA-O 3.35Å; T262-P285 HydrophobicContact CG2-CB 4.37Å; T262-V287 HydrophobicContact CG2-CG1 4.19Å
263L97.8Very high94.2Very high3 Ų347 Ų472%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-113.8145174.5-65.2174.1000110A272 I275 L276 A284 P285 V286 V287 I297 F302L263-A272 HydrophobicContact CD1-CB 3.98Å; L263-A272 HydrophobicContact CD2-CB 3.96Å; L263-A272 HydrophobicContact CG-CB 4.44Å; L263-I275 HydrophobicContact CD2-CB 4.18Å; L263-I275 HydrophobicContact CD2-CD1 4.19Å; L263-I275 HydrophobicContact CD2-CG2 4.06Å; L263-L276 HydrophobicContact CD1-CD1 4.19Å; L263-L276 HydrophobicContact CD1-CD2 3.94Å; L263-L276 HydrophobicContact CD1-CG 4.1Å; L263-L276 HydrophobicContact CD2-CD2 4.49Å; L263-L276 HydrophobicContact CG-CD2 4.37Å; L263-A284 HydrophobicContact CD1-CB 4.05Å; L263-A284 HydrophobicContact CG-CB 3.97Å; L263-P285 PolarHBondContact N-O 2.78Å; L263-V286 HydrophobicContact CB-CG2 4.46Å; L263-V286 CarbonylContact O-C 3.49Å; L263-V286 VanDerWaalsContact O-CA 3.27Å; L263-V286 WeakPolarHBondContact O-CA 3.35Å; L263-V286 WeakPolarHBondContact O-CG1 3.4Å; L263-V287 PolarHBondContact O-N 2.82Å; L263-I297 HydrophobicContact CD1-CG2 3.59Å; L263-F302 HydrophobicContact CD1-CZ 4.4Å
264Q97.9Very high94.2Very high74 Ų7449.6 Ų49.635%0.34628%0.278SS..EExtended strand (participates in β ladder)trans-82132.9175.8-64.4-69.7-46.700109.9Q266 S267 D288Q264-Q266 PolarHBondContact O-N 2.99Å; Q264-Q266 VanDerWaalsContact O-N 3.16Å; Q264-S267 WeakPolarHBondContact CB-OG 3.44Å; Q264-S267 WeakPolarHBondContact O-CB 3.45Å; Q264-S267 PolarHBondContact O-N 2.98Å; Q264-D288 PolarHBondContact OE1-O 2.72Å
265S97.3Very high94.2Very high12 Ų1247 Ų478%0.08427%0.267CS..THydrogen-bonded Turntrans-58.7-29.6-178.864.20000113.3H187 V287H187-S265 WeakPolarHBondContact CB-O 3.43Å; H187-S265 PolarHBondContact N-O 2.98Å; H187-S265 PolarHBondContact ND1-O 3.1Å; S265-V287 WeakPolarHBondContact CB-O 3.5Å; S265-V287 PolarHBondContact N-O 2.74Å; S265-V287 PolarHBondContact OG-O 3Å
266Q96Very high94.2Very high91 Ų9146.4 Ų46.443%0.42526%0.263SS..THydrogen-bonded Turntrans-89.1-10.3179.7-66.1-63.5-17.700114.4K185 Q264K185-Q266 WeakPolarHBondContact CD-O 3.36Å; K185-Q266 VanDerWaalsContact CE-O 3.26Å; K185-Q266 WeakPolarHBondContact CE-O 3.17Å; Q264-Q266 PolarHBondContact O-N 2.99Å; Q264-Q266 VanDerWaalsContact O-N 3.16Å
267S95.6Very high94.1Very high41 Ų4150 Ų5029%0.28728%0.28SS..SBendtrans-63.6151.3177.5-74.60000111.3K185 V186 Q264 A269K185-S267 CarbonylContact C-O 3.53Å; K185-S267 WeakPolarHBondContact CA-O 3.29Å; K185-S267 WeakPolarHBondContact CB-O 3.37Å; V186-S267 PolarHBondContact N-O 2.98Å; Q264-S267 WeakPolarHBondContact CB-OG 3.44Å; Q264-S267 WeakPolarHBondContact O-CB 3.45Å; Q264-S267 PolarHBondContact O-N 2.98Å; S267-A269 PolarHBondContact O-N 2.9Å
268R92.1Very high94.2Very high91 Ų9156.1 Ų56.134%0.34330%0.302SS..BIsolated β-bridgetrans-62.1139.2170-60.8178.1174.5173.6-2.6108.8E167 I270 D271 A272E167-R268 IonicContact OE1-CZ 3.32Å; E167-R268 IonicContact OE1-NH1 2.82Å; E167-R268 PolarHBondContact OE1-NH1 3.33Å; E167-R268 IonicContact OE1-NH2 3.03Å; E167-R268 PolarHBondContact OE1-NH2 3.03Å; E167-R268 IonicContact OE2-CZ 3.71Å; E167-R268 IonicContact OE2-NH2 2.75Å; E167-R268 PolarHBondContact OE2-NH2 2.95Å; R268-I270 HydrophobicContact CB-CG2 4.11Å; R268-I270 PolarHBondContact O-N 2.79Å; R268-D271 HydrophobicContact CB-CB 4.44Å; R268-D271 WeakPolarHBondContact CB-OD2 3.17Å; R268-D271 PolarHBondContact O-N 3.21Å; R268-A272 WeakPolarHBondContact O-CB 3.43Å; R268-A272 PolarHBondContact O-N 3.15Å
269A93.9Very high94.1Very high0 Ų058.2 Ų58.20%030%0.298CS..Hα-helixtrans-64.7-31.6-178.200000111.6N184 L189 S267 A272 K273 F302 I307N184-A269 HydrophobicContact CB-CB 4.08Å; N184-A269 VanDerWaalsContact O-CB 3.31Å; N184-A269 WeakPolarHBondContact O-CB 3.41Å; N184-A269 PolarHBondContact O-N 2.99Å; L189-A269 HydrophobicContact CD1-CB 3.64Å; S267-A269 PolarHBondContact O-N 2.9Å; A269-A272 PolarHBondContact O-N 3.42Å; A269-K273 WeakPolarHBondContact O-CB 3.49Å; A269-K273 PolarHBondContact O-N 3.35Å; A269-F302 HydrophobicContact CB-CD1 4.03Å; A269-F302 HydrophobicContact CB-CE1 3.86Å; A269-F302 WeakPolarHBondContact O-CD1 3.43Å; A269-F302 WeakPolarHBondContact O-CE1 3.27Å; A269-I307 HydrophobicContact CB-CD1 3.28Å
270I91.3Very high94.5Very high31 Ų3164.4 Ų64.416%0.15931%0.307CS..Hα-helixtrans-63.5-49.5173.4-170.4159.4000112.4R181 R268 A272 K273 E274 I307R181-I270 HydrophobicContact CG-CD1 3.6Å; R268-I270 HydrophobicContact CB-CG2 4.11Å; R268-I270 PolarHBondContact O-N 2.79Å; I270-A272 VanDerWaalsContact C-N 3.28Å; I270-A272 PolarHBondContact O-N 3.14Å; I270-K273 WeakPolarHBondContact O-CB 3.44Å; I270-K273 PolarHBondContact O-N 3.47Å; I270-E274 PolarHBondContact O-N 2.93Å; I270-I307 HydrophobicContact CB-CG2 4.37Å
271D93.3Very high95Very high71 Ų7165.9 Ų65.938%0.3831%0.31SS..Hα-helixtrans-61-41.6178.1-54.5-21.4000110.8R268 E274 I275R268-D271 HydrophobicContact CB-CB 4.44Å; R268-D271 WeakPolarHBondContact CB-OD2 3.17Å; R268-D271 PolarHBondContact O-N 3.21Å; D271-E274 PolarHBondContact O-N 3.48Å; D271-I275 WeakPolarHBondContact O-CG1 3.46Å; D271-I275 PolarHBondContact O-N 3.43Å
272A95.7Very high94.9Very high1 Ų169.2 Ų69.21%0.00833%0.33CS..Hα-helixtrans-62.7-44177.400000112.2V186 L263 R268 A269 I270 I275 L276 F302V186-A272 HydrophobicContact CG2-CB 3.27Å; L263-A272 HydrophobicContact CD1-CB 3.98Å; L263-A272 HydrophobicContact CD2-CB 3.96Å; L263-A272 HydrophobicContact CG-CB 4.44Å; R268-A272 WeakPolarHBondContact O-CB 3.43Å; R268-A272 PolarHBondContact O-N 3.15Å; A269-A272 PolarHBondContact O-N 3.42Å; I270-A272 VanDerWaalsContact C-N 3.28Å; I270-A272 PolarHBondContact O-N 3.14Å; A272-I275 WeakPolarHBondContact O-CB 3.28Å; A272-I275 PolarHBondContact O-N 2.94Å; A272-L276 WeakPolarHBondContact O-CG 3.24Å; A272-L276 PolarHBondContact O-N 2.98Å; A272-L276 VanDerWaalsContact O-N 3.16Å; A272-F302 HydrophobicContact CB-CE1 4.16Å; A272-F302 HydrophobicContact CB-CZ 4.07Å
273K94.9Very high94.9Very high14 Ų1467 Ų676%0.06132%0.318CS..Hα-helixtrans-61.9-42.9174.3-178.8-171.2167-167.40111.5A269 I270 I275 L276 M277 L299 F302 I307 I308A269-K273 WeakPolarHBondContact O-CB 3.49Å; A269-K273 PolarHBondContact O-N 3.35Å; I270-K273 WeakPolarHBondContact O-CB 3.44Å; I270-K273 PolarHBondContact O-N 3.47Å; K273-I275 VanDerWaalsContact C-N 3.29Å; K273-I275 PolarHBondContact O-N 3.48Å; K273-L276 WeakPolarHBondContact O-CB 3.36Å; K273-L276 PolarHBondContact O-N 3.16Å; K273-L276 VanDerWaalsContact O-N 3.15Å; K273-M277 HydrophobicContact CG-CG 4.37Å; K273-M277 WeakPolarHBondContact O-CG 3.23Å; K273-M277 PolarHBondContact O-N 3.12Å; K273-L299 HydrophobicContact CG-CD2 4.05Å; K273-F302 HydrophobicContact CB-CD1 3.88Å; K273-F302 HydrophobicContact CB-CD2 4.36Å; K273-F302 HydrophobicContact CB-CE1 4.07Å; K273-F302 HydrophobicContact CB-CG 4.04Å; K273-F302 HydrophobicContact CB-CZ 4.37Å; K273-F302 HydrophobicContact CD-CB 4.15Å; K273-F302 HydrophobicContact CD-CG 4.45Å; K273-F302 HydrophobicContact CG-CB 4.45Å; K273-F302 HydrophobicContact CG-CG 4.28Å; K273-I307 HydrophobicContact CD-CG2 3.99Å; K273-I307 PolarHBondContact NZ-O 3.2Å; K273-I308 PolarHBondContact NZ-O 2.89Å; K273-I308 PolarHBondContact NZ-OXT 3.05Å
274E94.8Very high94.8Very high122 Ų12267 Ų6757%0.5732%0.317SS*.Hα-helixtrans-60.2-39176.6-74.6-175.4-178.700112.2I270 D271 M277 K278I270-E274 PolarHBondContact O-N 2.93Å; D271-E274 PolarHBondContact O-N 3.48Å; E274-M277 PolarHBondContact O-N 3.28Å; E274-K278 VanDerWaalsContact O-CB 3.23Å; E274-K278 WeakPolarHBondContact O-CB 3.35Å; E274-K278 PolarHBondContact O-N 3.16Å
275I96.1Very high94.8Very high70 Ų7063.4 Ų63.436%0.35930%0.301SS..Hα-helixtrans-59.3-47.8173.5-68.5164.7000110.6T261 L263 D271 A272 K273 R279T261-I275 HydrophobicContact CG2-CG2 3.93Å; L263-I275 HydrophobicContact CD2-CB 4.18Å; L263-I275 HydrophobicContact CD2-CD1 4.19Å; L263-I275 HydrophobicContact CD2-CG2 4.06Å; D271-I275 WeakPolarHBondContact O-CG1 3.46Å; D271-I275 PolarHBondContact O-N 3.43Å; A272-I275 WeakPolarHBondContact O-CB 3.28Å; A272-I275 PolarHBondContact O-N 2.94Å; K273-I275 VanDerWaalsContact C-N 3.29Å; K273-I275 PolarHBondContact O-N 3.48Å; I275-R279 WeakPolarHBondContact O-CB 3.1Å; I275-R279 WeakPolarHBondContact O-CG 3.48Å; I275-R279 PolarHBondContact O-N 2.73Å
276L95.6Very high94.9Very high0 Ų062.9 Ų62.90%030%0.297CS..Hα-helixtrans-60.6-47.5178.5-62.6-173.9000111.5L263 A272 K273 R279 K280 I281 A284 L299 F302L263-L276 HydrophobicContact CD1-CD1 4.19Å; L263-L276 HydrophobicContact CD1-CD2 3.94Å; L263-L276 HydrophobicContact CD1-CG 4.1Å; L263-L276 HydrophobicContact CD2-CD2 4.49Å; L263-L276 HydrophobicContact CG-CD2 4.37Å; A272-L276 WeakPolarHBondContact O-CG 3.24Å; A272-L276 PolarHBondContact O-N 2.98Å; A272-L276 VanDerWaalsContact O-N 3.16Å; K273-L276 WeakPolarHBondContact O-CB 3.36Å; K273-L276 PolarHBondContact O-N 3.16Å; K273-L276 VanDerWaalsContact O-N 3.15Å; L276-R279 CarbonylContact O-C 3.54Å; L276-R279 PolarHBondContact O-N 3.31Å; L276-K280 PolarHBondContact O-N 3.28Å; L276-I281 HydrophobicContact CB-CG1 4.21Å; L276-I281 HydrophobicContact CD2-CD1 3.55Å; L276-I281 HydrophobicContact CD2-CG1 3.72Å; L276-I281 PolarHBondContact O-N 2.9Å; L276-A284 HydrophobicContact CD2-CB 3.64Å; L276-L299 HydrophobicContact CB-CD2 4.11Å; L276-L299 HydrophobicContact CD1-CD2 4.12Å; L276-F302 HydrophobicContact CD1-CD2 4.45Å; L276-F302 HydrophobicContact CD1-CE2 3.61Å; L276-F302 HydrophobicContact CD1-CZ 4.32Å
277M95Very high95Very high101 Ų10158.7 Ų58.750%0.49828%0.278SS..Hα-helixtrans-62.4-47.2179.8-70.8-66.6-70.400112.1K273 E274 R279 K280 L299K273-M277 HydrophobicContact CG-CG 4.37Å; K273-M277 WeakPolarHBondContact O-CG 3.23Å; K273-M277 PolarHBondContact O-N 3.12Å; E274-M277 PolarHBondContact O-N 3.28Å; M277-R279 VanDerWaalsContact C-N 3.28Å; M277-R279 PolarHBondContact O-N 3.1Å; M277-K280 PolarHBondContact O-N 2.94Å; M277-L299 HydrophobicContact CG-CD2 4.34Å; M277-L299 HydrophobicContact SD-CD1 4.03Å; M277-L299 HydrophobicContact SD-CD2 4.15Å
278K96Very high95.1Very high186 Ų18658.5 Ų58.581%0.80927%0.273SS*.Hα-helixtrans-62.4-36.7178.9-177.4173.9178176.60112E274 K280E274-K278 VanDerWaalsContact O-CB 3.23Å; E274-K278 WeakPolarHBondContact O-CB 3.35Å; E274-K278 PolarHBondContact O-N 3.16Å; K278-K280 VanDerWaalsContact C-N 3.32Å
279R93.8Very high95.2Very high153 Ų15362 Ų6258%0.57729%0.294SS*.Hα-helixtrans-84.9-2.7176.2-68.1-171.9176-142.1-3.1113.8T261 I275 L276 M277 I281T261-R279 WeakPolarHBondContact OG1-CD 3.33Å; T261-R279 PolarHBondContact OG1-NH1 3.42Å; I275-R279 WeakPolarHBondContact O-CB 3.1Å; I275-R279 WeakPolarHBondContact O-CG 3.48Å; I275-R279 PolarHBondContact O-N 2.73Å; L276-R279 CarbonylContact O-C 3.54Å; L276-R279 PolarHBondContact O-N 3.31Å; M277-R279 VanDerWaalsContact C-N 3.28Å; M277-R279 PolarHBondContact O-N 3.1Å; R279-I281 VanDerWaalsContact C-N 3.26Å; R279-I281 HydrophobicContact CB-CD1 4.26Å; R279-I281 HydrophobicContact CB-CG1 4.03Å; R279-I281 PolarHBondContact O-N 3.22Å
280K93Very high95.3Very high195 Ų19568.3 Ų68.385%0.84833%0.328SS*.THydrogen-bonded Turntrans54.539.6-177.8-57.5-179178.5-179.70113.2L276 M277 K278L276-K280 PolarHBondContact O-N 3.28Å; M277-K280 PolarHBondContact O-N 2.94Å; K278-K280 VanDerWaalsContact C-N 3.32Å
281I93.2Very high95.4Very high50 Ų5068 Ų6826%0.25633%0.331SS..  trans-112146.6174.655.6174000109.7T261 L276 R279T261-I281 VanDerWaalsContact CB-CD1 3.45Å; T261-I281 HydrophobicContact CG2-CD1 3.78Å; L276-I281 HydrophobicContact CB-CG1 4.21Å; L276-I281 HydrophobicContact CD2-CD1 3.55Å; L276-I281 HydrophobicContact CD2-CG1 3.72Å; L276-I281 PolarHBondContact O-N 2.9Å; R279-I281 VanDerWaalsContact C-N 3.26Å; R279-I281 HydrophobicContact CB-CD1 4.26Å; R279-I281 HydrophobicContact CB-CG1 4.03Å; R279-I281 PolarHBondContact O-N 3.22Å
282T93.4Very high95.6Very high92 Ų9269.2 Ų69.256%0.56433%0.333SS*.SBendtrans-94.4-17.1-175.151.60000113.4N298 L299T282-N298 CarbonylContact O-C 3.53Å; T282-N298 WeakPolarHBondContact O-CA 3.23Å; T282-N298 WeakPolarHBondContact O-CB 3.17Å; T282-L299 HydrophobicContact CG2-CD1 4.39Å; T282-L299 PolarHBondContact O-N 3.22Å
283A95.5Very high95.7Very high10 Ų1069.7 Ų69.78%0.08334%0.336CS..EExtended strand (participates in β ladder)trans-153.9158.3-178.400000111L217 L219 I297 N298L217-A283 HydrophobicContact CG-CB 4.35Å; L219-A283 HydrophobicContact CD2-CB 3.36Å; L219-A283 WeakPolarHBondContact CD2-O 3.19Å; L219-A283 HydrophobicContact CG-CB 4.08Å; A283-I297 CarbonylContact C-O 3.57Å; A283-I297 WeakPolarHBondContact CA-O 3.47Å; A283-I297 WeakPolarHBondContact CB-O 3.48Å; A283-N298 HydrophobicContact CB-CB 3.62Å
284A97.2Very high95.9Very high1 Ų171.1 Ų71.11%0.00835%0.346CS..EExtended strand (participates in β ladder)trans-147.3152.2172.100000112L219 T261 L263 L276 I297L219-A284 VanDerWaalsContact CD2-CA 3.44Å; L219-A284 VanDerWaalsContact CD2-N 3.28Å; T261-A284 WeakPolarHBondContact O-CB 3.43Å; L263-A284 HydrophobicContact CD1-CB 4.05Å; L263-A284 HydrophobicContact CG-CB 3.97Å; L276-A284 HydrophobicContact CD2-CB 3.64Å; A284-I297 PolarHBondContact N-O 3.13Å; A284-I297 PolarHBondContact O-N 3.12Å
285P97.8Very high96Very high0 Ų065.3 Ų65.30%032%0.318CS..EExtended strand (participates in β ladder)trans-62.1147.3161.7-1630.2000110.8L219 A221 V229 V232 T261 T262 L263 L293L219-P285 HydrophobicContact CD1-CG 4.19Å; A221-P285 HydrophobicContact CB-CB 4.02Å; A221-P285 HydrophobicContact CB-CG 3.91Å; V229-P285 HydrophobicContact CG1-CB 4.29Å; V229-P285 HydrophobicContact CG1-CG 4.19Å; V229-P285 HydrophobicContact CG2-CB 4.25Å; V232-P285 HydrophobicContact CG1-CG 3.42Å; V232-P285 VanDerWaalsContact CG1-CG 3.42Å; T261-P285 WeakPolarHBondContact O-CD 3.44Å; T262-P285 WeakPolarHBondContact CA-O 3.35Å; T262-P285 HydrophobicContact CG2-CB 4.37Å; L263-P285 PolarHBondContact N-O 2.78Å; P285-L293 HydrophobicContact CB-CD1 3.65Å
286V98.4Very high96.1Very high0 Ų062 Ų620%030%0.301CS..EExtended strand (participates in β ladder)trans-111.7129.7176.1-174.10000109.2V186 M190 L263 T294 G295 I297V186-V286 HydrophobicContact CG1-CB 4.21Å; V186-V286 HydrophobicContact CG1-CG1 3.57Å; V186-V286 HydrophobicContact CG1-CG2 3.51Å; M190-V286 HydrophobicContact CB-CG2 4.02Å; M190-V286 HydrophobicContact SD-CB 3.73Å; M190-V286 HydrophobicContact SD-CG1 3.48Å; M190-V286 WeakPolarHBondContact SD-CG1 3.4Å; M190-V286 HydrophobicContact SD-CG2 4.12Å; L263-V286 HydrophobicContact CB-CG2 4.46Å; L263-V286 CarbonylContact O-C 3.49Å; L263-V286 VanDerWaalsContact O-CA 3.27Å; L263-V286 WeakPolarHBondContact O-CA 3.35Å; L263-V286 WeakPolarHBondContact O-CG1 3.4Å; V286-T294 PolarHBondContact O-N 2.91Å; V286-T294 PolarHBondContact O-OG1 3.08Å; V286-G295 PolarHBondContact N-O 3.43Å; V286-G295 PolarHBondContact O-N 2.92Å; V286-G295 VanDerWaalsContact O-N 3.13Å; V286-I297 HydrophobicContact CG2-CB 4.03Å; V286-I297 HydrophobicContact CG2-CG2 3.61Å
287V98.2Very high96.1Very high3 Ų362 Ų622%0.01830%0.301CS..EExtended strand (participates in β ladder)trans-120.5158.5-176.5-610000112.3V229 T262 L263 S265 G291 K292V229-V287 HydrophobicContact CB-CG1 4.26Å; V229-V287 HydrophobicContact CG2-CG1 3.58Å; T262-V287 HydrophobicContact CG2-CG1 4.19Å; L263-V287 PolarHBondContact O-N 2.82Å; S265-V287 WeakPolarHBondContact CB-O 3.5Å; S265-V287 PolarHBondContact N-O 2.74Å; S265-V287 PolarHBondContact OG-O 3Å; V287-G291 WeakPolarHBondContact CG1-O 3.47Å; V287-K292 CarbonylContact C-O 3.52Å; V287-K292 WeakPolarHBondContact CA-O 3.39Å; V287-K292 WeakPolarHBondContact CB-O 3.45Å
288D97.3Very high96.2Very high37 Ų3757.9 Ų57.920%0.19828%0.282CS..  trans-81.1-177165.170.612.4000112.3Q264 N290 G291 K292 T294Q264-D288 PolarHBondContact OE1-O 2.72Å; D288-N290 PolarHBondContact O-N 3.22Å; D288-N290 WeakPolarHBondContact OD1-CA 3.39Å; D288-N290 WeakPolarHBondContact OD1-CB 3.4Å; D288-N290 PolarHBondContact OD1-N 3.18Å; D288-G291 PolarHBondContact O-N 2.97Å; D288-G291 PolarHBondContact OD1-N 3.18Å; D288-G291 VanDerWaalsContact OD1-N 3.14Å; D288-K292 PolarHBondContact N-O 3.24Å; D288-K292 WeakPolarHBondContact OD1-CB 3.43Å; D288-K292 PolarHBondContact OD1-N 3.27Å; D288-K292 WeakPolarHBondContact OD2-CB 3.49Å; D288-T294 HydrophobicContact CB-CG2 3.9Å
289E95.3Very high96.1Very high165 Ų16550.3 Ų50.377%0.77125%0.25SC*.THydrogen-bonded Turntrans-61.6-22.3179.7-62.1176.8-177.200113.3
290N95Very high96.1Very high133 Ų13348.2 Ų48.271%0.71125%0.247SC*.THydrogen-bonded Turntrans-92.90.8178.8-60.7-56.1000112.7Q228 D288Q228-N290 PolarHBondContact OE1-O 2.85Å; D288-N290 PolarHBondContact O-N 3.22Å; D288-N290 WeakPolarHBondContact OD1-CA 3.39Å; D288-N290 WeakPolarHBondContact OD1-CB 3.4Å; D288-N290 PolarHBondContact OD1-N 3.18Å
291G94.4Very high96.1Very high23 Ų2339.4 Ų39.424%0.23721%0.209CC..SBendtrans84.55.5-176.900000114.7Q228 V287 D288Q228-G291 VanDerWaalsContact OE1-CA 3.3Å; Q228-G291 PolarHBondContact OE1-O 3.28Å; Q228-G291 VanDerWaalsContact OE1-O 3.13Å; V287-G291 WeakPolarHBondContact CG1-O 3.47Å; D288-G291 PolarHBondContact O-N 2.97Å; D288-G291 PolarHBondContact OD1-N 3.18Å; D288-G291 VanDerWaalsContact OD1-N 3.14Å
292K97.4Very high96.1Very high97 Ų9737 Ų3742%0.42220%0.196SC..BIsolated β-bridgetrans-76.3136.8-179.5-167.7-177.6177.5-178.30110.7Q227 V287 D288 T294Q227-K292 HydrophobicContact CB-CD 4.5Å; Q227-K292 HydrophobicContact CB-CG 3.86Å; Q227-K292 WeakPolarHBondContact O-CA 3.21Å; V287-K292 CarbonylContact C-O 3.52Å; V287-K292 WeakPolarHBondContact CA-O 3.39Å; V287-K292 WeakPolarHBondContact CB-O 3.45Å; D288-K292 PolarHBondContact N-O 3.24Å; D288-K292 WeakPolarHBondContact OD1-CB 3.43Å; D288-K292 PolarHBondContact OD1-N 3.27Å; D288-K292 WeakPolarHBondContact OD2-CB 3.49Å; K292-T294 PolarHBondContact O-N 3.07Å
293L97.9Very high96Very high12 Ų1238 Ų386%0.06319%0.191CC..EExtended strand (participates in β ladder)trans-61.8126.8175.3-169.971.1000111.1I196 Q198 A221 Q227 V229 P285 G295I196-L293 HydrophobicContact CG2-CD1 4.49Å; I196-L293 HydrophobicContact CG2-CD2 3.55Å; I196-L293 HydrophobicContact CG2-CG 4.13Å; Q198-L293 HydrophobicContact CB-CD2 3.84Å; Q198-L293 HydrophobicContact CG-CD2 4.39Å; A221-L293 HydrophobicContact CB-CD1 3.9Å; A221-L293 HydrophobicContact CB-CD2 3.84Å; Q227-L293 PolarHBondContact O-N 2.89Å; V229-L293 HydrophobicContact CG2-CB 3.91Å; V229-L293 HydrophobicContact CG2-CD1 3.66Å; V229-L293 HydrophobicContact CG2-CG 4.34Å; P285-L293 HydrophobicContact CB-CD1 3.65Å; L293-G295 WeakPolarHBondContact CD1-O 3.48Å
294T97.8Very high95.7Very high43 Ų4344 Ų4426%0.26422%0.217SC..EExtended strand (participates in β ladder)trans-126.1-15.717854.80000113.2M190 V286 D288 K292M190-T294 VanDerWaalsContact CE-O 3.32Å; M190-T294 WeakPolarHBondContact CE-O 3.22Å; V286-T294 PolarHBondContact O-N 2.91Å; V286-T294 PolarHBondContact O-OG1 3.08Å; D288-T294 HydrophobicContact CB-CG2 3.9Å; K292-T294 PolarHBondContact O-N 3.07Å
295G98Very high95.2Very high0 Ų045.2 Ų45.20%023%0.227CC..EExtended strand (participates in β ladder)trans-172.6-176.217800000113R191 V286 L293R191-G295 WeakPolarHBondContact O-CA 3.34Å; V286-G295 PolarHBondContact N-O 3.43Å; V286-G295 PolarHBondContact O-N 2.92Å; V286-G295 VanDerWaalsContact O-N 3.13Å; L293-G295 WeakPolarHBondContact CD1-O 3.48Å
296A97.5Very high94.5Very high0 Ų046.8 Ų46.80%024%0.243CC..EExtended strand (participates in β ladder)trans-143.2148.3166.400000109.1R191 I196 P197 L217R191-A296 WeakPolarHBondContact CB-O 3.41Å; R191-A296 PolarHBondContact N-O 3.26Å; R191-A296 PolarHBondContact O-N 2.9Å; I196-A296 HydrophobicContact CG2-CB 4.3Å; P197-A296 HydrophobicContact CG-CB 4.32Å; L217-A296 HydrophobicContact CD2-CB 3.34Å
297I97Very high93.8Very high0 Ų046.8 Ų46.80%024%0.243CC..EExtended strand (participates in β ladder)trans-143.8144-173.8-165.3168.3000110.8V186 L189 M190 L263 A283 A284 V286 D301 F302V186-I297 HydrophobicContact CG1-CD1 4.11Å; V186-I297 HydrophobicContact CG1-CG2 4.24Å; L189-I297 HydrophobicContact CB-CD1 3.72Å; M190-I297 HydrophobicContact CB-CB 4.13Å; M190-I297 HydrophobicContact CB-CD1 4.45Å; L263-I297 HydrophobicContact CD1-CG2 3.59Å; A283-I297 CarbonylContact C-O 3.57Å; A283-I297 WeakPolarHBondContact CA-O 3.47Å; A283-I297 WeakPolarHBondContact CB-O 3.48Å; A284-I297 PolarHBondContact N-O 3.13Å; A284-I297 PolarHBondContact O-N 3.12Å; V286-I297 HydrophobicContact CG2-CB 4.03Å; V286-I297 HydrophobicContact CG2-CG2 3.61Å; I297-D301 HydrophobicContact CD1-CB 4.41Å; I297-D301 HydrophobicContact CG1-CB 3.82Å; I297-F302 HydrophobicContact CD1-CD1 4.42Å; I297-F302 HydrophobicContact CD1-CD2 4.3Å; I297-F302 HydrophobicContact CD1-CE1 3.81Å; I297-F302 HydrophobicContact CD1-CE2 3.69Å; I297-F302 HydrophobicContact CD1-CZ 3.43Å; I297-F302 VanDerWaalsContact CD1-CZ 3.43Å; I297-F302 HydrophobicContact CG1-CD2 4.32Å; I297-F302 HydrophobicContact CG1-CE2 3.74Å; I297-F302 HydrophobicContact CG1-CZ 3.99Å; I297-F302 HydrophobicContact CG2-CE2 4.16Å; I297-F302 HydrophobicContact CG2-CZ 4.16Å
298N95.4Very high92.9Very high16 Ų1655 Ų559%0.08629%0.285CS..EExtended strand (participates in β ladder)trans-122.4169.6173.677.97.8000112.6L217 T282 A283 Q300 D301 F302L217-N298 HydrophobicContact CD1-CB 3.77Å; L217-N298 HydrophobicContact CG-CB 4.2Å; T282-N298 CarbonylContact O-C 3.53Å; T282-N298 WeakPolarHBondContact O-CA 3.23Å; T282-N298 WeakPolarHBondContact O-CB 3.17Å; A283-N298 HydrophobicContact CB-CB 3.62Å; N298-Q300 PolarHBondContact O-N 3.27Å; N298-Q300 WeakPolarHBondContact OD1-CA 3.49Å; N298-Q300 VanDerWaalsContact OD1-CB 3.26Å; N298-Q300 WeakPolarHBondContact OD1-CB 3.37Å; N298-Q300 PolarHBondContact OD1-N 3.37Å; N298-D301 PolarHBondContact N-OD2 3.39Å; N298-D301 PolarHBondContact O-N 2.97Å; N298-D301 VanDerWaalsContact O-N 3.13Å; N298-D301 VanDerWaalsContact OD1-CG 3.28Å; N298-D301 PolarHBondContact OD1-N 3.17Å; N298-D301 PolarHBondContact OD1-OD2 2.91Å; N298-D301 VanDerWaalsContact OD1-OD2 3.11Å; N298-F302 WeakPolarHBondContact O-CD2 3.35Å
299L94.7Very high92.6Very high26 Ų2655.9 Ų55.914%0.13629%0.289CS..Hα-helixtrans-56.5-31.8178.1-72.3177.8000113K273 L276 M277 T282 F302 Y303K273-L299 HydrophobicContact CG-CD2 4.05Å; L276-L299 HydrophobicContact CB-CD2 4.11Å; L276-L299 HydrophobicContact CD1-CD2 4.12Å; M277-L299 HydrophobicContact CG-CD2 4.34Å; M277-L299 HydrophobicContact SD-CD1 4.03Å; M277-L299 HydrophobicContact SD-CD2 4.15Å; T282-L299 HydrophobicContact CG2-CD1 4.39Å; T282-L299 PolarHBondContact O-N 3.22Å; L299-F302 PolarHBondContact O-N 3.28Å; L299-Y303 HydrophobicContact CB-CD2 4.48Å; L299-Y303 HydrophobicContact CB-CE2 3.97Å; L299-Y303 WeakPolarHBondContact O-CD2 3.35Å; L299-Y303 PolarHBondContact O-N 3.25Å; L299-Y303 VanDerWaalsContact O-N 3.1Å
300Q93.4Very high92.5Very high110 Ų11050.1 Ų50.151%0.51426%0.264SS..Hα-helixtrans-66.4-38.7178.3-174.2-179.10.200112N298 F302 Y303 Q304N298-Q300 PolarHBondContact O-N 3.27Å; N298-Q300 WeakPolarHBondContact OD1-CA 3.49Å; N298-Q300 VanDerWaalsContact OD1-CB 3.26Å; N298-Q300 WeakPolarHBondContact OD1-CB 3.37Å; N298-Q300 PolarHBondContact OD1-N 3.37Å; Q300-F302 VanDerWaalsContact C-N 3.28Å; Q300-F302 PolarHBondContact O-N 2.9Å; Q300-Y303 PolarHBondContact O-N 2.9Å; Q300-Q304 HydrophobicContact CG-CG 4.41Å; Q300-Q304 WeakPolarHBondContact O-CG 3.44Å; Q300-Q304 PolarHBondContact O-N 3.32Å
301D93.9Very high92.4Very high9 Ų945.5 Ų45.55%0.04824%0.239CC..Hα-helixtrans-61.1-38.9176.5-56.6-48.5000110.7R191 I297 N298 A305R191-D301 IonicContact CZ-OD1 3.69Å; R191-D301 IonicContact NE-OD1 3.38Å; R191-D301 PolarHBondContact NE-OD1 3.07Å; R191-D301 IonicContact NH2-OD1 3.72Å; R191-D301 PolarHBondContact NH2-OD1 3.09Å; I297-D301 HydrophobicContact CD1-CB 4.41Å; I297-D301 HydrophobicContact CG1-CB 3.82Å; N298-D301 PolarHBondContact N-OD2 3.39Å; N298-D301 PolarHBondContact O-N 2.97Å; N298-D301 VanDerWaalsContact O-N 3.13Å; N298-D301 VanDerWaalsContact OD1-CG 3.28Å; N298-D301 PolarHBondContact OD1-N 3.17Å; N298-D301 PolarHBondContact OD1-OD2 2.91Å; N298-D301 VanDerWaalsContact OD1-OD2 3.11Å; D301-A305 PolarHBondContact O-N 3.47Å
302F92.8Very high92.3Very high0 Ų046.8 Ų46.80%024%0.239CC..Hα-helixtrans-65.7-44.2173.6-63.3-82.3000112.5L189 L263 A269 A272 K273 L276 I297 N298 L299 Q300 A305 G306 I307L189-F302 HydrophobicContact CD1-CD1 4.02Å; L189-F302 HydrophobicContact CD1-CE1 4.45Å; L263-F302 HydrophobicContact CD1-CZ 4.4Å; A269-F302 HydrophobicContact CB-CD1 4.03Å; A269-F302 HydrophobicContact CB-CE1 3.86Å; A269-F302 WeakPolarHBondContact O-CD1 3.43Å; A269-F302 WeakPolarHBondContact O-CE1 3.27Å; A272-F302 HydrophobicContact CB-CE1 4.16Å; A272-F302 HydrophobicContact CB-CZ 4.07Å; K273-F302 HydrophobicContact CB-CD1 3.88Å; K273-F302 HydrophobicContact CB-CD2 4.36Å; K273-F302 HydrophobicContact CB-CE1 4.07Å; K273-F302 HydrophobicContact CB-CG 4.04Å; K273-F302 HydrophobicContact CB-CZ 4.37Å; K273-F302 HydrophobicContact CD-CB 4.15Å; K273-F302 HydrophobicContact CD-CG 4.45Å; K273-F302 HydrophobicContact CG-CB 4.45Å; K273-F302 HydrophobicContact CG-CG 4.28Å; L276-F302 HydrophobicContact CD1-CD2 4.45Å; L276-F302 HydrophobicContact CD1-CE2 3.61Å; L276-F302 HydrophobicContact CD1-CZ 4.32Å; I297-F302 HydrophobicContact CD1-CD1 4.42Å; I297-F302 HydrophobicContact CD1-CD2 4.3Å; I297-F302 HydrophobicContact CD1-CE1 3.81Å; I297-F302 HydrophobicContact CD1-CE2 3.69Å; I297-F302 HydrophobicContact CD1-CZ 3.43Å; I297-F302 VanDerWaalsContact CD1-CZ 3.43Å; I297-F302 HydrophobicContact CG1-CD2 4.32Å; I297-F302 HydrophobicContact CG1-CE2 3.74Å; I297-F302 HydrophobicContact CG1-CZ 3.99Å; I297-F302 HydrophobicContact CG2-CE2 4.16Å; I297-F302 HydrophobicContact CG2-CZ 4.16Å; N298-F302 WeakPolarHBondContact O-CD2 3.35Å; L299-F302 PolarHBondContact O-N 3.28Å; Q300-F302 VanDerWaalsContact C-N 3.28Å; Q300-F302 PolarHBondContact O-N 2.9Å; F302-A305 PolarHBondContact O-N 3.16Å; F302-G306 PolarHBondContact O-N 3.39Å; F302-I307 HydrophobicContact CB-CB 4.27Å; F302-I307 HydrophobicContact CD1-CD1 4.24Å; F302-I307 WeakPolarHBondContact O-CB 3.42Å; F302-I307 PolarHBondContact O-N 3Å
303Y91Very high91.9Very high114 Ų11443.7 Ų43.745%0.44723%0.228SC..Hα-helixtrans-65.9-39.7179.7-66.2-50.6000112.6L299 Q300 A305 G306L299-Y303 HydrophobicContact CB-CD2 4.48Å; L299-Y303 HydrophobicContact CB-CE2 3.97Å; L299-Y303 WeakPolarHBondContact O-CD2 3.35Å; L299-Y303 PolarHBondContact O-N 3.25Å; L299-Y303 VanDerWaalsContact O-N 3.1Å; Q300-Y303 PolarHBondContact O-N 2.9Å; Y303-A305 PolarHBondContact O-N 2.97Å; Y303-G306 PolarHBondContact O-N 3.17Å
304Q89Confident91.5Very high136 Ų13645.8 Ų45.864%0.63624%0.239SC*.Hα-helixtrans-62.1-32.1174.9-75.1179.2-13.400112.2Q300 G306Q300-Q304 HydrophobicContact CG-CG 4.41Å; Q300-Q304 WeakPolarHBondContact O-CG 3.44Å; Q300-Q304 PolarHBondContact O-N 3.32Å; Q304-G306 PolarHBondContact O-N 3.26Å
305A87.3Confident91.1Very high26 Ų2646 Ų4622%0.21524%0.237CC..THydrogen-bonded Turntrans-79.12.8174.900000114.2L189 D301 F302 Y303 I307L189-A305 HydrophobicContact CD1-CB 3.77Å; L189-A305 HydrophobicContact CD2-CB 3.49Å; L189-A305 VanDerWaalsContact CD2-CB 3.49Å; L189-A305 HydrophobicContact CG-CB 4.26Å; D301-A305 PolarHBondContact O-N 3.47Å; F302-A305 PolarHBondContact O-N 3.16Å; Y303-A305 PolarHBondContact O-N 2.97Å; A305-I307 VanDerWaalsContact C-N 3.3Å; A305-I307 HydrophobicContact CB-CD1 4.33Å; A305-I307 HydrophobicContact CB-CG1 4.22Å; A305-I307 PolarHBondContact O-N 2.88Å
306G83.1Confident90.6Very high33 Ų3349.5 Ų49.534%0.3426%0.255SS..THydrogen-bonded Turntrans74.816.8-17800000114.2F302 Y303 Q304 I308F302-G306 PolarHBondContact O-N 3.39Å; Y303-G306 PolarHBondContact O-N 3.17Å; Q304-G306 PolarHBondContact O-N 3.26Å; G306-I308 PolarHBondContact O-N 3.05Å
307I84.2Confident90Very high0 Ų053.7 Ų53.70%028%0.276CS..  trans-88.485.8176.6-54179.5000107.8N184 L189 A269 I270 K273 F302 A305N184-I307 HydrophobicContact CB-CD1 4.05Å; L189-I307 HydrophobicContact CD1-CD1 3.51Å; A269-I307 HydrophobicContact CB-CD1 3.28Å; I270-I307 HydrophobicContact CB-CG2 4.37Å; K273-I307 HydrophobicContact CD-CG2 3.99Å; K273-I307 PolarHBondContact NZ-O 3.2Å; F302-I307 HydrophobicContact CB-CB 4.27Å; F302-I307 HydrophobicContact CD1-CD1 4.24Å; F302-I307 WeakPolarHBondContact O-CB 3.42Å; F302-I307 PolarHBondContact O-N 3Å; A305-I307 VanDerWaalsContact C-N 3.3Å; A305-I307 HydrophobicContact CB-CD1 4.33Å; A305-I307 HydrophobicContact CB-CG1 4.22Å; A305-I307 PolarHBondContact O-N 2.88Å
308I78Confident89.3Confident174 Ų17458.5 Ų58.589%0.89230%0.301SS*.  trans-91.30-174.4-56.6172.4000111.8K273 G306K273-I308 PolarHBondContact NZ-O 2.89Å; K273-I308 PolarHBondContact NZ-OXT 3.05Å; G306-I308 PolarHBondContact O-N 3.05Å

Retrieved 308 of 308 residues in 142.1 ms (Link to these results)

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