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D-3-phosphoglycerate dehydrogenase

Catalyzes the reversible oxidation of 3-phospho-D-glycerate to 3-phosphonooxypyruvate, the first step of the phosphorylated L-serine biosynthesis pathway. Also catalyzes the reversible oxidation of 2-hydroxyglutarate to 2-oxoglutarate.

AlphaFold DB , UniProt , Accession P0A9T0, Species ECOLI (Escherichia coli (strain K12)), Gene serA, Length 410 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
1M33.8Very low70.2Confident238 Ų23887.3 Ų87.3100%1.17245%0.454SS*.  0138.60-72.1-179.7-174.200107.1K3M1-K3 PolarHBondContact O-N 3.41Å; M1-K3 VanDerWaalsContact O-N 3.13Å
2A41Very low72.5Confident74 Ų7481.6 Ų81.661%0.61242%0.423SS*.PPolyproline II helixtrans-56.5119169.600000107.6V4A2-V4 PolarHBondContact O-N 3.29Å
3K41.4Very low74.5Confident131 Ų13175.3 Ų75.357%0.5739%0.391SS*.PPolyproline II helixtrans-61.6119168.3-79.5177.1176.9171.90105.9M1 E387 Y410M1-K3 PolarHBondContact O-N 3.41Å; M1-K3 VanDerWaalsContact O-N 3.13Å; K3-E387 VanDerWaalsContact CD-OE1 3.25Å; K3-E387 WeakPolarHBondContact CD-OE1 3.22Å; K3-E387 VanDerWaalsContact NZ-CD 3.31Å; K3-E387 IonicContact NZ-OE1 2.7Å; K3-E387 PolarHBondContact NZ-OE1 2.8Å; K3-E387 IonicContact NZ-OE2 2.6Å; K3-E387 PolarHBondContact NZ-OE2 3.37Å; K3-Y410 WeakPolarHBondContact O-CB 3.42Å; K3-Y410 WeakPolarHBondContact O-CD1 2.76Å
4V51.2Low76.2Confident63 Ų6369.9 Ų69.938%0.38236%0.363SS..PPolyproline II helixtrans-84.4158.4170.1-73.80000109.2A2 L6A2-V4 PolarHBondContact O-N 3.29Å; V4-L6 WeakPolarHBondContact CG2-O 3.02Å; V4-L6 PolarHBondContact O-N 3.35Å
5S64.1Low77.7Confident49 Ų4965.3 Ų65.334%0.34334%0.339SS..SBendtrans-51.3-33.8-177.574.70000114R407 L408S5-R407 PolarHBondContact OG-NH2 3.11Å; S5-L408 WeakPolarHBondContact CB-O 3.38Å
6L80.4Confident79Confident61 Ų6161.2 Ų61.232%0.31932%0.317SS..SBendtrans-150.8132.1172.3-179.862.7000105.6V4 K8 K10 I11 H55V4-L6 WeakPolarHBondContact CG2-O 3.02Å; V4-L6 PolarHBondContact O-N 3.35Å; L6-K8 PolarHBondContact O-N 2.83Å; L6-K10 HydrophobicContact CD1-CB 3.62Å; L6-K10 HydrophobicContact CD1-CG 4.27Å; L6-K10 HydrophobicContact CD2-CB 4.26Å; L6-K10 HydrophobicContact CG-CB 3.83Å; L6-I11 HydrophobicContact CB-CD1 4.46Å; L6-I11 HydrophobicContact CB-CG1 4.25Å; L6-I11 HydrophobicContact CD2-CG1 3.66Å; L6-I11 HydrophobicContact CG-CG1 3.96Å; L6-H55 VanDerWaalsContact CD2-NE2 3.27Å; L6-H55 WeakPolarHBondContact CD2-NE2 3.39Å
7E86.2Confident79.9Confident117 Ų11758.5 Ų58.555%0.54730%0.303SS..  trans-58140.1178.1-59.1-179.3143.600110.5D9 K10 I11E7-D9 WeakPolarHBondContact CB-OD1 3.43Å; E7-D9 PolarHBondContact O-N 2.86Å; E7-D9 VanDerWaalsContact O-N 3.16Å; E7-K10 HydrophobicContact CB-CG 4.24Å; E7-K10 WeakPolarHBondContact O-CA 3.47Å; E7-K10 WeakPolarHBondContact O-CB 3.32Å; E7-K10 PolarHBondContact O-N 2.99Å; E7-I11 PolarHBondContact O-N 3.4Å
8K91.5Very high80.7Confident52 Ų5256.8 Ų56.823%0.22630%0.302CS..THydrogen-bonded Turntrans-62.4-25.5-172.6-69.3-169.9171.6-169.80113.3L6 K10 I11 A30 G31 Y32 D317L6-K8 PolarHBondContact O-N 2.83Å; K8-K10 VanDerWaalsContact C-N 3.27Å; K8-K10 PolarHBondContact O-N 2.84Å; K8-I11 PolarHBondContact O-N 3.08Å; K8-A30 WeakPolarHBondContact CD-O 3.29Å; K8-A30 PolarHBondContact NZ-O 2.78Å; K8-G31 WeakPolarHBondContact CB-O 3.47Å; K8-Y32 HydrophobicContact CB-CD1 3.91Å; K8-Y32 HydrophobicContact CB-CE1 4.06Å; K8-Y32 HydrophobicContact CD-CD1 4.46Å; K8-Y32 HydrophobicContact CD-CE1 4.14Å; K8-Y32 HydrophobicContact CD-CE2 4.27Å; K8-Y32 HydrophobicContact CG-CD1 4.23Å; K8-Y32 HydrophobicContact CG-CE1 3.88Å; K8-D317 WeakPolarHBondContact CE-OD1 3.19Å; K8-D317 VanDerWaalsContact NZ-CG 3.29Å; K8-D317 IonicContact NZ-OD1 3.8Å; K8-D317 PolarHBondContact NZ-OD1 2.82Å; K8-D317 IonicContact NZ-OD2 2.72Å; K8-D317 PolarHBondContact NZ-OD2 3.41Å
9D91.9Very high81.4Confident60 Ų6053.9 Ų53.932%0.32129%0.287SS..THydrogen-bonded Turntrans-74.4-14.3172.968.7-59000113.2E7 T33 N34E7-D9 WeakPolarHBondContact CB-OD1 3.43Å; E7-D9 PolarHBondContact O-N 2.86Å; E7-D9 VanDerWaalsContact O-N 3.16Å; D9-T33 WeakPolarHBondContact CA-OG1 3.28Å; D9-T33 WeakPolarHBondContact CB-OG1 3.24Å; D9-N34 WeakPolarHBondContact O-CB 3.12Å
10K94.2Very high82.1Confident108 Ų10854.4 Ų54.447%0.4729%0.287SS..THydrogen-bonded Turntrans-93.7-15.5173.1-56.7-59.8-177.8-116.90113L6 E7 K8 K12L6-K10 HydrophobicContact CD1-CB 3.62Å; L6-K10 HydrophobicContact CD1-CG 4.27Å; L6-K10 HydrophobicContact CD2-CB 4.26Å; L6-K10 HydrophobicContact CG-CB 3.83Å; E7-K10 HydrophobicContact CB-CG 4.24Å; E7-K10 WeakPolarHBondContact O-CA 3.47Å; E7-K10 WeakPolarHBondContact O-CB 3.32Å; E7-K10 PolarHBondContact O-N 2.99Å; K8-K10 VanDerWaalsContact C-N 3.27Å; K8-K10 PolarHBondContact O-N 2.84Å; K10-K12 PolarHBondContact O-N 3.26Å
11I96.1Very high82.8Confident7 Ų756.1 Ų56.14%0.03629%0.294CS..SBendtrans-78107.3176.2-66.8172.3000109L6 E7 K8 F13 Y32 H55 F56L6-I11 HydrophobicContact CB-CD1 4.46Å; L6-I11 HydrophobicContact CB-CG1 4.25Å; L6-I11 HydrophobicContact CD2-CG1 3.66Å; L6-I11 HydrophobicContact CG-CG1 3.96Å; E7-I11 PolarHBondContact O-N 3.4Å; K8-I11 PolarHBondContact O-N 3.08Å; I11-F13 HydrophobicContact CG2-CD2 4.13Å; I11-F13 HydrophobicContact CG2-CE2 3.71Å; I11-Y32 HydrophobicContact CB-CD1 4.09Å; I11-Y32 HydrophobicContact CB-CE1 4.08Å; I11-Y32 HydrophobicContact CD1-CE1 3.82Å; I11-Y32 HydrophobicContact CG2-CD1 4.06Å; I11-Y32 HydrophobicContact CG2-CE1 3.92Å; I11-H55 HydrophobicContact CG2-CB 3.9Å; I11-F56 HydrophobicContact CG2-CD2 3.58Å; I11-F56 HydrophobicContact CG2-CE2 3.49Å; I11-F56 VanDerWaalsContact CG2-CE2 3.49Å
12K98.1Very high85.8Confident19 Ų1947.8 Ų47.88%0.08325%0.251CS..  trans-80.7122.6179.1-174.8179.7178.1-174.60111.8K10 N34 E36 S50 D53 A54 H55 F56K10-K12 PolarHBondContact O-N 3.26Å; K12-N34 WeakPolarHBondContact CA-O 3.49Å; K12-E36 WeakPolarHBondContact CE-OE2 3.49Å; K12-E36 IonicContact NZ-OE2 2.83Å; K12-E36 PolarHBondContact NZ-OE2 3.41Å; K12-S50 PolarHBondContact NZ-O 3.2Å; K12-D53 WeakPolarHBondContact CD-OD1 3.25Å; K12-D53 WeakPolarHBondContact CD-OD2 3.13Å; K12-D53 IonicContact NZ-OD1 3.55Å; K12-D53 PolarHBondContact NZ-OD1 2.98Å; K12-D53 IonicContact NZ-OD2 3.81Å; K12-A54 HydrophobicContact CD-CB 4.48Å; K12-H55 PolarHBondContact N-ND1 3.01Å; K12-H55 PolarHBondContact O-N 3.43Å; K12-F56 PolarHBondContact O-N 2.88Å; K12-F56 VanDerWaalsContact O-N 3.12Å
13F98.6Very high88.5Confident0 Ų044.3 Ų44.30%022%0.222CC..EExtended strand (participates in β ladder)trans-101.2121.2165.9-79.8-102.7000109.7I11 L27 Y32 N34 I35 E36 F56 L312I11-F13 HydrophobicContact CG2-CD2 4.13Å; I11-F13 HydrophobicContact CG2-CE2 3.71Å; F13-L27 HydrophobicContact CB-CD1 4.49Å; F13-L27 HydrophobicContact CD1-CD1 3.84Å; F13-L27 HydrophobicContact CD1-CD2 3.8Å; F13-L27 HydrophobicContact CD2-CD2 4.44Å; F13-L27 HydrophobicContact CE1-CD1 4.3Å; F13-L27 HydrophobicContact CE1-CD2 3.4Å; F13-L27 HydrophobicContact CE2-CD2 4.1Å; F13-L27 HydrophobicContact CG-CD1 4.16Å; F13-L27 HydrophobicContact CG-CD2 4.31Å; F13-L27 HydrophobicContact CZ-CD2 3.57Å; F13-Y32 HydrophobicContact CD2-CD1 4.23Å; F13-Y32 HydrophobicContact CD2-CG 4.3Å; F13-Y32 AromaticContact CE2-CD1 3.49Å; F13-Y32 HydrophobicContact CE2-CD1 3.49Å; F13-Y32 VanDerWaalsContact CE2-CD1 3.49Å; F13-Y32 HydrophobicContact CE2-CD2 4.21Å; F13-Y32 AromaticContact CE2-CE1 3.85Å; F13-Y32 HydrophobicContact CE2-CE1 3.85Å; F13-Y32 AromaticContact CE2-CG 3.66Å; F13-Y32 HydrophobicContact CE2-CG 3.66Å; F13-Y32 HydrophobicContact CZ-CD1 4.39Å; F13-Y32 HydrophobicContact CZ-CE1 4.46Å; F13-Y32 HydrophobicContact CZ-CG 4.38Å; F13-N34 PolarHBondContact N-O 3.46Å; F13-I35 HydrophobicContact CB-CG1 4.29Å; F13-I35 HydrophobicContact CB-CG2 4.38Å; F13-I35 CarbonylContact O-C 3.49Å; F13-I35 WeakPolarHBondContact O-CA 3.27Å; F13-E36 PolarHBondContact O-N 2.84Å; F13-F56 WeakPolarHBondContact CA-O 3.4Å; F13-F56 HydrophobicContact CD1-CB 3.39Å; F13-F56 HydrophobicContact CD1-CD2 4.35Å; F13-F56 HydrophobicContact CD1-CG 4Å; F13-F56 HydrophobicContact CD2-CB 4.38Å; F13-F56 HydrophobicContact CD2-CD2 4.11Å; F13-F56 HydrophobicContact CE1-CB 3.39Å; F13-F56 HydrophobicContact CE1-CD1 4.11Å; F13-F56 AromaticContact CE1-CD2 3.82Å; F13-F56 HydrophobicContact CE1-CD2 3.82Å; F13-F56 AromaticContact CE1-CG 3.49Å; F13-F56 HydrophobicContact CE1-CG 3.49Å; F13-F56 VanDerWaalsContact CE1-CG 3.49Å; F13-F56 HydrophobicContact CE2-CB 4.38Å; F13-F56 AromaticContact CE2-CD2 3.54Å; F13-F56 HydrophobicContact CE2-CD2 3.54Å; F13-F56 HydrophobicContact CE2-CE2 4.14Å; F13-F56 HydrophobicContact CE2-CG 4.11Å; F13-F56 HydrophobicContact CG-CB 3.9Å; F13-F56 HydrophobicContact CG-CD2 4.47Å; F13-F56 HydrophobicContact CZ-CB 3.92Å; F13-F56 HydrophobicContact CZ-CD1 4.21Å; F13-F56 AromaticContact CZ-CD2 3.37Å; F13-F56 HydrophobicContact CZ-CD2 3.37Å; F13-F56 AromaticContact CZ-CE2 3.94Å; F13-F56 HydrophobicContact CZ-CE2 3.94Å; F13-F56 AromaticContact CZ-CG 3.55Å; F13-F56 HydrophobicContact CZ-CG 3.55Å; F13-L312 HydrophobicContact CE1-CB 4.1Å; F13-L312 HydrophobicContact CE1-CD1 4.07Å
14L98.6Very high91.2Very high0 Ų038.3 Ų38.30%020%0.196CC..EExtended strand (participates in β ladder)trans-97.6115169172.960.5000108.9V16 E36 L42 L47 I51 A54 F56 I57 G58L14-V16 HydrophobicContact CD1-CG1 4.03Å; L14-V16 HydrophobicContact CG-CG1 4.17Å; L14-E36 CarbonylContact C-O 3.59Å; L14-E36 HydrophobicContact CD1-CB 4.14Å; L14-E36 HydrophobicContact CD1-CG 3.97Å; L14-L42 HydrophobicContact CD1-CD1 4.43Å; L14-L47 HydrophobicContact CD2-CD1 4.48Å; L14-I51 HydrophobicContact CD2-CB 4.16Å; L14-I51 HydrophobicContact CD2-CG1 4.49Å; L14-A54 HydrophobicContact CB-CB 3.94Å; L14-F56 PolarHBondContact N-O 2.7Å; L14-I57 HydrophobicContact CB-CG1 4.4Å; L14-I57 HydrophobicContact CD2-CD1 3.96Å; L14-I57 HydrophobicContact CD2-CG1 4.26Å; L14-I57 HydrophobicContact CG-CD1 4.45Å; L14-I57 HydrophobicContact CG-CG1 4.25Å; L14-I57 CarbonylContact O-C 3.08Å; L14-I57 VanDerWaalsContact O-CA 3.24Å; L14-I57 WeakPolarHBondContact O-CA 3.36Å; L14-G58 PolarHBondContact O-N 2.96Å
15L98.5Very high93.4Very high0 Ų039.5 Ų39.50%020%0.198CC..EExtended strand (participates in β ladder)trans-116.6117.1179.6-57.3179.1000109.1V19 L24 L27 I35 E36 F37 H38 G58 F82L15-V19 HydrophobicContact CB-CG1 4.46Å; L15-V19 HydrophobicContact CB-CG2 4.03Å; L15-V19 HydrophobicContact CD1-CG2 3.88Å; L15-V19 HydrophobicContact CG-CG2 4.37Å; L15-L24 HydrophobicContact CD1-CD1 3.9Å; L15-L24 HydrophobicContact CD1-CG 4.08Å; L15-L27 HydrophobicContact CD1-CD1 3.85Å; L15-I35 HydrophobicContact CD1-CG2 3.64Å; L15-I35 HydrophobicContact CG-CG2 4.11Å; L15-E36 PolarHBondContact N-O 2.9Å; L15-F37 HydrophobicContact CB-CD2 3.94Å; L15-F37 CarbonylContact O-C 3.55Å; L15-F37 WeakPolarHBondContact O-CA 3.49Å; L15-H38 PolarHBondContact O-N 3.18Å; L15-G58 CarbonylContact C-O 3.45Å; L15-G58 WeakPolarHBondContact CA-O 3.49Å; L15-F82 HydrophobicContact CD2-CE2 4.12Å; L15-F82 HydrophobicContact CD2-CZ 4.41Å
16V97.8Very high95Very high0 Ų038.5 Ų38.50%019%0.19CC..  trans-113.1168.7-178.7-61.40000111.6L14 G18 V19 H38 L42 G58 L59 T63L14-V16 HydrophobicContact CD1-CG1 4.03Å; L14-V16 HydrophobicContact CG-CG1 4.17Å; V16-G18 PolarHBondContact O-N 3.16Å; V16-V19 WeakPolarHBondContact O-CG1 3.45Å; V16-H38 CarbonylContact C-O 3.49Å; V16-H38 HydrophobicContact CG1-CB 4.36Å; V16-L42 HydrophobicContact CG1-CD1 3.94Å; V16-L42 HydrophobicContact CG1-CG 4.03Å; V16-G58 WeakPolarHBondContact CG2-O 3.31Å; V16-G58 PolarHBondContact N-O 2.96Å; V16-L59 HydrophobicContact CG2-CB 3.65Å; V16-T63 HydrophobicContact CG2-CG2 4.25Å
17E95.2Very high95.8Very high16 Ų1635.6 Ų35.68%0.07518%0.175CC..THydrogen-bonded Turntrans61.925.3176.8-56.3178.7-113.500115.3H38 K39 G40 A41 R60 S61 R62 T63E17-H38 PolarHBondContact N-O 3.11Å; E17-K39 CarbonylContact C-O 3.58Å; E17-K39 VanDerWaalsContact C-O 3.32Å; E17-G40 PolarHBondContact N-O 3.13Å; E17-A41 HydrophobicContact CG-CB 3.94Å; E17-R60 HydrophobicContact CB-CB 3.98Å; E17-R60 HydrophobicContact CB-CG 4.03Å; E17-R60 WeakPolarHBondContact O-CD 3.41Å; E17-R60 VanDerWaalsContact OE1-C 3.3Å; E17-R60 PolarHBondContact OE1-N 3.21Å; E17-R60 WeakPolarHBondContact OE2-CB 3.47Å; E17-S61 PolarHBondContact OE2-N 2.99Å; E17-R62 HydrophobicContact CG-CB 4.38Å; E17-R62 PolarHBondContact OE1-N 3.18Å; E17-R62 WeakPolarHBondContact OE2-CA 3.41Å; E17-R62 WeakPolarHBondContact OE2-CB 3.47Å; E17-R62 WeakPolarHBondContact OE2-CG 3.26Å; E17-R62 PolarHBondContact OE2-N 3.48Å; E17-T63 VanDerWaalsContact OE1-CB 3.22Å; E17-T63 WeakPolarHBondContact OE1-CB 3.4Å; E17-T63 PolarHBondContact OE1-N 3.05Å; E17-T63 PolarHBondContact OE1-OG1 3.23Å
18G93.3Very high96.4Very high28 Ų2836.6 Ų36.629%0.28917%0.174SC..THydrogen-bonded Turntrans63.448.9171.500000112.9V16 H38 K39V16-G18 PolarHBondContact O-N 3.16Å; G18-H38 PolarHBondContact N-O 2.61Å; G18-K39 PolarHBondContact N-O 3.5Å
19V94.5Very high96.7Very high2 Ų238.5 Ų38.51%0.01220%0.2CC..  trans-50.2148.1172.7-45.50000111L15 V16 A23 L24 F37 F82L15-V19 HydrophobicContact CB-CG1 4.46Å; L15-V19 HydrophobicContact CB-CG2 4.03Å; L15-V19 HydrophobicContact CD1-CG2 3.88Å; L15-V19 HydrophobicContact CG-CG2 4.37Å; V16-V19 WeakPolarHBondContact O-CG1 3.45Å; V19-A23 HydrophobicContact CG2-CB 3.96Å; V19-L24 HydrophobicContact CG2-CD1 3.77Å; V19-F37 HydrophobicContact CG2-CD2 4.35Å; V19-F37 HydrophobicContact CG2-CE2 3.96Å; V19-F82 HydrophobicContact CB-CB 4.37Å; V19-F82 HydrophobicContact CB-CD1 4.2Å; V19-F82 HydrophobicContact CB-CG 4.11Å; V19-F82 HydrophobicContact CG1-CB 4.02Å; V19-F82 HydrophobicContact CG1-CD1 4.43Å; V19-F82 HydrophobicContact CG1-CD2 3.9Å; V19-F82 HydrophobicContact CG1-CG 3.85Å
20H95.7Very high96.9Very high63 Ų6336.8 Ų36.829%0.29219%0.194SC..  trans-57.2143.3-174.8-165.3-95.4000112.1K22 A23 Q301H20-K22 PolarHBondContact ND1-N 3.38Å; H20-K22 PolarHBondContact O-N 2.88Å; H20-K22 VanDerWaalsContact O-N 3.09Å; H20-A23 VanDerWaalsContact O-CB 3.28Å; H20-A23 WeakPolarHBondContact O-CB 3.25Å; H20-A23 PolarHBondContact O-N 3.22Å; H20-Q301 WeakPolarHBondContact CB-O 3.47Å
21Q96.6Very high97Very high90 Ų9033.4 Ų33.442%0.42119%0.189SC..Hα-helixtrans-59.2-28.2-175.2-70.9-58.2-52.900113.5A23 L24 E25Q21-A23 PolarHBondContact O-N 3.06Å; Q21-L24 WeakPolarHBondContact O-CB 3.48Å; Q21-L24 PolarHBondContact O-N 3.28Å; Q21-E25 PolarHBondContact O-N 3.33Å
22K96.5Very high97.1Very high64 Ų6433 Ų3328%0.27819%0.187SC..Hα-helixtrans-57.7-28.8172.4-72.2-46.9-174.9-178.90114.4H20 E25 S26 E302 L306H20-K22 PolarHBondContact ND1-N 3.38Å; H20-K22 PolarHBondContact O-N 2.88Å; H20-K22 VanDerWaalsContact O-N 3.09Å; K22-E25 WeakPolarHBondContact CD-OE2 3.47Å; K22-E25 IonicContact NZ-OE2 3.64Å; K22-E25 PolarHBondContact NZ-OE2 3.21Å; K22-S26 VanDerWaalsContact O-CB 3.31Å; K22-S26 WeakPolarHBondContact O-CB 3.44Å; K22-S26 PolarHBondContact O-N 3.41Å; K22-S26 PolarHBondContact O-OG 2.99Å; K22-E302 HydrophobicContact CB-CG 4.29Å; K22-E302 WeakPolarHBondContact CE-OE1 3.19Å; K22-E302 HydrophobicContact CG-CG 3.56Å; K22-E302 WeakPolarHBondContact CG-OE1 3.25Å; K22-L306 HydrophobicContact CB-CD2 3.81Å; K22-L306 HydrophobicContact CB-CG 4Å; K22-L306 HydrophobicContact CG-CD2 4.31Å; K22-L306 HydrophobicContact CG-CG 4.45Å
23A97.6Very high97Very high0 Ų036.7 Ų36.70%021%0.211CC..Hα-helixtrans-64.5-46.217300000110.9V19 H20 Q21 S26 L27 F82 A309V19-A23 HydrophobicContact CG2-CB 3.96Å; H20-A23 VanDerWaalsContact O-CB 3.28Å; H20-A23 WeakPolarHBondContact O-CB 3.25Å; H20-A23 PolarHBondContact O-N 3.22Å; Q21-A23 PolarHBondContact O-N 3.06Å; A23-S26 PolarHBondContact O-N 2.91Å; A23-L27 VanDerWaalsContact O-CG 3.27Å; A23-L27 WeakPolarHBondContact O-CG 3.47Å; A23-L27 PolarHBondContact O-N 2.62Å; A23-F82 HydrophobicContact CB-CD1 4.25Å; A23-F82 HydrophobicContact CB-CE1 3.5Å; A23-F82 VanDerWaalsContact CB-CE1 3.5Å; A23-F82 HydrophobicContact CB-CZ 4.13Å; A23-A309 HydrophobicContact CB-CB 4.18Å
24L97.9Very high97Very high5 Ų539.7 Ų39.73%0.02623%0.227CC..Hα-helixtrans-65.9-42.5178.1-73.275.2000111.4L15 V19 Q21 S26 L27 R28 F37L15-L24 HydrophobicContact CD1-CD1 3.9Å; L15-L24 HydrophobicContact CD1-CG 4.08Å; V19-L24 HydrophobicContact CG2-CD1 3.77Å; Q21-L24 WeakPolarHBondContact O-CB 3.48Å; Q21-L24 PolarHBondContact O-N 3.28Å; L24-S26 VanDerWaalsContact C-N 3.34Å; L24-L27 PolarHBondContact O-N 3.11Å; L24-R28 WeakPolarHBondContact O-CB 3.31Å; L24-R28 VanDerWaalsContact O-CG 3.27Å; L24-R28 WeakPolarHBondContact O-CG 3.46Å; L24-R28 PolarHBondContact O-N 3.41Å; L24-F37 HydrophobicContact CD1-CD2 3.77Å; L24-F37 HydrophobicContact CD1-CE2 3.79Å; L24-F37 HydrophobicContact CD2-CB 4.27Å; L24-F37 HydrophobicContact CD2-CD2 3.99Å; L24-F37 HydrophobicContact CD2-CE2 4.46Å; L24-F37 HydrophobicContact CD2-CG 4Å; L24-F37 HydrophobicContact CG-CD2 4.34Å
25E97.9Very high96.9Very high89 Ų8941.1 Ų41.142%0.41624%0.235SC..Hα-helixtrans-59.7-44.9175.2-70.6173.6-157.400111.4Q21 K22 R28 A29Q21-E25 PolarHBondContact O-N 3.33Å; K22-E25 WeakPolarHBondContact CD-OE2 3.47Å; K22-E25 IonicContact NZ-OE2 3.64Å; K22-E25 PolarHBondContact NZ-OE2 3.21Å; E25-R28 PolarHBondContact O-N 3.19Å; E25-A29 VanDerWaalsContact O-CB 3.26Å; E25-A29 WeakPolarHBondContact O-CB 3.37Å; E25-A29 PolarHBondContact O-N 3.15Å
26S97.9Very high96.9Very high27 Ų2743.4 Ų43.419%0.18925%0.246CC..Hα-helixtrans-64.1-43.9178.9-59.90000112.1K22 A23 L24 A29 A30 L306K22-S26 VanDerWaalsContact O-CB 3.31Å; K22-S26 WeakPolarHBondContact O-CB 3.44Å; K22-S26 PolarHBondContact O-N 3.41Å; K22-S26 PolarHBondContact O-OG 2.99Å; A23-S26 PolarHBondContact O-N 2.91Å; L24-S26 VanDerWaalsContact C-N 3.34Å; S26-A29 PolarHBondContact O-N 2.89Å; S26-A30 WeakPolarHBondContact O-CB 3.46Å; S26-A30 PolarHBondContact O-N 3.29Å; S26-L306 WeakPolarHBondContact OG-CD2 3.18Å
27L98.3Very high96.9Very high1 Ų146.3 Ų46.31%0.00526%0.258CS..Hα-helixtrans-62-46.2176.6-71.3170.1000111.5F13 L15 A23 L24 A30 G31 Y32 I35 A309 I313F13-L27 HydrophobicContact CB-CD1 4.49Å; F13-L27 HydrophobicContact CD1-CD1 3.84Å; F13-L27 HydrophobicContact CD1-CD2 3.8Å; F13-L27 HydrophobicContact CD2-CD2 4.44Å; F13-L27 HydrophobicContact CE1-CD1 4.3Å; F13-L27 HydrophobicContact CE1-CD2 3.4Å; F13-L27 HydrophobicContact CE2-CD2 4.1Å; F13-L27 HydrophobicContact CG-CD1 4.16Å; F13-L27 HydrophobicContact CG-CD2 4.31Å; F13-L27 HydrophobicContact CZ-CD2 3.57Å; L15-L27 HydrophobicContact CD1-CD1 3.85Å; A23-L27 VanDerWaalsContact O-CG 3.27Å; A23-L27 WeakPolarHBondContact O-CG 3.47Å; A23-L27 PolarHBondContact O-N 2.62Å; L24-L27 PolarHBondContact O-N 3.11Å; L27-A30 CarbonylContact O-C 3.54Å; L27-A30 PolarHBondContact O-N 3.29Å; L27-G31 PolarHBondContact O-N 2.64Å; L27-Y32 HydrophobicContact CD2-CD2 4.21Å; L27-Y32 WeakPolarHBondContact O-CB 3.2Å; L27-Y32 PolarHBondContact O-N 2.82Å; L27-I35 HydrophobicContact CB-CD1 3.71Å; L27-I35 HydrophobicContact CD1-CD1 4.07Å; L27-A309 HydrophobicContact CG-CB 4.49Å; L27-I313 HydrophobicContact CD2-CD1 4.1Å; L27-I313 HydrophobicContact CD2-CG1 3.79Å
28R98Very high97.1Very high138 Ų13848.3 Ų48.352%0.52127%0.267SS..Hα-helixtrans-63.8-42.4177-72.4172.9-177.1141.40.6112.1L24 E25 A30 G31 Y32 I35L24-R28 WeakPolarHBondContact O-CB 3.31Å; L24-R28 VanDerWaalsContact O-CG 3.27Å; L24-R28 WeakPolarHBondContact O-CG 3.46Å; L24-R28 PolarHBondContact O-N 3.41Å; E25-R28 PolarHBondContact O-N 3.19Å; R28-A30 PolarHBondContact O-N 3.17Å; R28-G31 WeakPolarHBondContact O-CA 3.46Å; R28-G31 PolarHBondContact O-N 3.03Å; R28-Y32 WeakPolarHBondContact CA-O 3.28Å; R28-I35 HydrophobicContact CG-CD1 4.14Å
29A97.6Very high97.1Very high92 Ų9255.8 Ų55.876%0.7629%0.292SS*.Hα-helixtrans-61.8-31.7175.800000112.1E25 S26 G31E25-A29 VanDerWaalsContact O-CB 3.26Å; E25-A29 WeakPolarHBondContact O-CB 3.37Å; E25-A29 PolarHBondContact O-N 3.15Å; S26-A29 PolarHBondContact O-N 2.89Å; A29-G31 VanDerWaalsContact C-N 3.27Å; A29-G31 PolarHBondContact O-N 2.96Å
30A96.2Very high97.1Very high24 Ų2457.6 Ų57.620%0.19831%0.311CS..THydrogen-bonded Turntrans-80.9-0.1172.800000114.2K8 S26 L27 R28 Y32 I313K8-A30 WeakPolarHBondContact CD-O 3.29Å; K8-A30 PolarHBondContact NZ-O 2.78Å; S26-A30 WeakPolarHBondContact O-CB 3.46Å; S26-A30 PolarHBondContact O-N 3.29Å; L27-A30 CarbonylContact O-C 3.54Å; L27-A30 PolarHBondContact O-N 3.29Å; R28-A30 PolarHBondContact O-N 3.17Å; A30-Y32 HydrophobicContact CB-CD2 3.9Å; A30-Y32 HydrophobicContact CB-CE2 3.99Å; A30-I313 HydrophobicContact CB-CD1 3.81Å; A30-I313 HydrophobicContact CB-CG1 4.01Å; A30-I313 HydrophobicContact CB-CG2 3.76Å
31G96.6Very high97Very high36 Ų3656.6 Ų56.637%0.37131%0.314SS..THydrogen-bonded Turntrans934.6176.500000115.5K8 L27 R28 A29K8-G31 WeakPolarHBondContact CB-O 3.47Å; L27-G31 PolarHBondContact O-N 2.64Å; R28-G31 WeakPolarHBondContact O-CA 3.46Å; R28-G31 PolarHBondContact O-N 3.03Å; A29-G31 VanDerWaalsContact C-N 3.27Å; A29-G31 PolarHBondContact O-N 2.96Å
32Y97.1Very high96.9Very high0 Ų053.3 Ų53.30%030%0.299CS..  trans-82.7116.9175.1-60.1-77.1000110.4K8 I11 F13 L27 R28 A30 I313 S316 D317K8-Y32 HydrophobicContact CB-CD1 3.91Å; K8-Y32 HydrophobicContact CB-CE1 4.06Å; K8-Y32 HydrophobicContact CD-CD1 4.46Å; K8-Y32 HydrophobicContact CD-CE1 4.14Å; K8-Y32 HydrophobicContact CD-CE2 4.27Å; K8-Y32 HydrophobicContact CG-CD1 4.23Å; K8-Y32 HydrophobicContact CG-CE1 3.88Å; I11-Y32 HydrophobicContact CB-CD1 4.09Å; I11-Y32 HydrophobicContact CB-CE1 4.08Å; I11-Y32 HydrophobicContact CD1-CE1 3.82Å; I11-Y32 HydrophobicContact CG2-CD1 4.06Å; I11-Y32 HydrophobicContact CG2-CE1 3.92Å; F13-Y32 HydrophobicContact CD2-CD1 4.23Å; F13-Y32 HydrophobicContact CD2-CG 4.3Å; F13-Y32 AromaticContact CE2-CD1 3.49Å; F13-Y32 HydrophobicContact CE2-CD1 3.49Å; F13-Y32 VanDerWaalsContact CE2-CD1 3.49Å; F13-Y32 HydrophobicContact CE2-CD2 4.21Å; F13-Y32 AromaticContact CE2-CE1 3.85Å; F13-Y32 HydrophobicContact CE2-CE1 3.85Å; F13-Y32 AromaticContact CE2-CG 3.66Å; F13-Y32 HydrophobicContact CE2-CG 3.66Å; F13-Y32 HydrophobicContact CZ-CD1 4.39Å; F13-Y32 HydrophobicContact CZ-CE1 4.46Å; F13-Y32 HydrophobicContact CZ-CG 4.38Å; L27-Y32 HydrophobicContact CD2-CD2 4.21Å; L27-Y32 WeakPolarHBondContact O-CB 3.2Å; L27-Y32 PolarHBondContact O-N 2.82Å; R28-Y32 WeakPolarHBondContact CA-O 3.28Å; A30-Y32 HydrophobicContact CB-CD2 3.9Å; A30-Y32 HydrophobicContact CB-CE2 3.99Å; Y32-I313 HydrophobicContact CD2-CG1 4.28Å; Y32-I313 HydrophobicContact CE2-CB 4.47Å; Y32-I313 HydrophobicContact CE2-CG1 4.01Å; Y32-I313 HydrophobicContact CE2-CG2 4.31Å; Y32-S316 WeakPolarHBondContact OH-CB 3.46Å; Y32-S316 PolarHBondContact OH-OG 3.27Å; Y32-D317 PolarHBondContact OH-OD1 3.47Å
33T96.8Very high96.9Very high95 Ų9554.3 Ų54.358%0.58331%0.308SS*.  trans-114.1-22.1-175.854.50000113.5D9 I35D9-T33 WeakPolarHBondContact CA-OG1 3.28Å; D9-T33 WeakPolarHBondContact CB-OG1 3.24Å; T33-I35 PolarHBondContact O-N 3.47Å
34N97.9Very high96.7Very high63 Ų6359.3 Ų59.334%0.33733%0.334SS..  trans-83.579.8176.2-174.66000110.6D9 K12 F13D9-N34 WeakPolarHBondContact O-CB 3.12Å; K12-N34 WeakPolarHBondContact CA-O 3.49Å; F13-N34 PolarHBondContact N-O 3.46Å
35I98.2Very high96.6Very high31 Ų3165.3 Ų65.316%0.15936%0.362CS..EExtended strand (participates in β ladder)trans-118.4113.9-178.7-53.4174.8000108.6F13 L15 L27 R28 T33F13-I35 HydrophobicContact CB-CG1 4.29Å; F13-I35 HydrophobicContact CB-CG2 4.38Å; F13-I35 CarbonylContact O-C 3.49Å; F13-I35 WeakPolarHBondContact O-CA 3.27Å; L15-I35 HydrophobicContact CD1-CG2 3.64Å; L15-I35 HydrophobicContact CG-CG2 4.11Å; L27-I35 HydrophobicContact CB-CD1 3.71Å; L27-I35 HydrophobicContact CD1-CD1 4.07Å; R28-I35 HydrophobicContact CG-CD1 4.14Å; T33-I35 PolarHBondContact O-N 3.47Å
36E98.1Very high96.6Very high48 Ų4865.3 Ų65.322%0.22436%0.362CS..EExtended strand (participates in β ladder)trans-88.4119.4166.8-172.4-178.8146.800108.3K12 F13 L14 L15 H38 S50K12-E36 WeakPolarHBondContact CE-OE2 3.49Å; K12-E36 IonicContact NZ-OE2 2.83Å; K12-E36 PolarHBondContact NZ-OE2 3.41Å; F13-E36 PolarHBondContact O-N 2.84Å; L14-E36 CarbonylContact C-O 3.59Å; L14-E36 HydrophobicContact CD1-CB 4.14Å; L14-E36 HydrophobicContact CD1-CG 3.97Å; L15-E36 PolarHBondContact N-O 2.9Å; E36-H38 IonicContact OE1-CD2 3.02Å; E36-H38 IonicContact OE1-CE1 2.7Å; E36-H38 IonicContact OE1-NE2 3.66Å; E36-H38 PolarHBondContact OE1-NE2 3.26Å; E36-S50 PolarHBondContact OE1-OG 2.63Å
37F98.1Very high96.6Very high61 Ų6164.1 Ų64.127%0.26835%0.354SS..EExtended strand (participates in β ladder)trans-125.3123.8-174.1174.8-97.6000111.6L15 V19 L24 K39L15-F37 HydrophobicContact CB-CD2 3.94Å; L15-F37 CarbonylContact O-C 3.55Å; L15-F37 WeakPolarHBondContact O-CA 3.49Å; V19-F37 HydrophobicContact CG2-CD2 4.35Å; V19-F37 HydrophobicContact CG2-CE2 3.96Å; L24-F37 HydrophobicContact CD1-CD2 3.77Å; L24-F37 HydrophobicContact CD1-CE2 3.79Å; L24-F37 HydrophobicContact CD2-CB 4.27Å; L24-F37 HydrophobicContact CD2-CD2 3.99Å; L24-F37 HydrophobicContact CD2-CE2 4.46Å; L24-F37 HydrophobicContact CD2-CG 4Å; L24-F37 HydrophobicContact CG-CD2 4.34Å; F37-K39 HydrophobicContact CE1-CG 4.06Å
38H97.7Very high96.6Very high58 Ų5866 Ų6627%0.26936%0.362SS..  trans-117.2133.2177.1-65-80.2000110.7L15 V16 E17 G18 E36 G40 L42L15-H38 PolarHBondContact O-N 3.18Å; V16-H38 CarbonylContact C-O 3.49Å; V16-H38 HydrophobicContact CG1-CB 4.36Å; E17-H38 PolarHBondContact N-O 3.11Å; G18-H38 PolarHBondContact N-O 2.61Å; E36-H38 IonicContact OE1-CD2 3.02Å; E36-H38 IonicContact OE1-CE1 2.7Å; E36-H38 IonicContact OE1-NE2 3.66Å; E36-H38 PolarHBondContact OE1-NE2 3.26Å; H38-G40 VanDerWaalsContact C-N 3.33Å; H38-L42 HydrophobicContact CB-CD2 4.46Å
39K95Very high96.5Very high184 Ų18465.6 Ų65.680%0.837%0.366SS*.SBendtrans-71.3-28.7176.4-69.3-175.8178.8-1800112.8E17 G18 F37E17-K39 CarbonylContact C-O 3.58Å; E17-K39 VanDerWaalsContact C-O 3.32Å; G18-K39 PolarHBondContact N-O 3.5Å; F37-K39 HydrophobicContact CE1-CG 4.06Å
40G93.4Very high96.5Very high41 Ų4162 Ų6242%0.42334%0.335SS..SBendtrans-108.3173.7179.500000112.4E17 H38E17-G40 PolarHBondContact N-O 3.13Å; H38-G40 VanDerWaalsContact C-N 3.33Å
41A93.4Very high96.6Very high42 Ų4260.9 Ų60.935%0.34733%0.326SS..PPolyproline II helixtrans-68.6146.1161.700000109.2E17 R62E17-A41 HydrophobicContact CG-CB 3.94Å; A41-R62 HydrophobicContact CB-CB 4.2Å
42L95.8Very high96.7Very high21 Ų2164.9 Ų64.911%0.1133%0.33CS..PPolyproline II helixtrans-83.7150.4168.2-63.2176.6000109.2L14 V16 H38 Q46 L47L14-L42 HydrophobicContact CD1-CD1 4.43Å; V16-L42 HydrophobicContact CG1-CD1 3.94Å; V16-L42 HydrophobicContact CG1-CG 4.03Å; H38-L42 HydrophobicContact CB-CD2 4.46Å; L42-Q46 HydrophobicContact CB-CB 4.05Å; L42-Q46 HydrophobicContact CD2-CB 4.31Å; L42-L47 HydrophobicContact CB-CB 4.08Å
43D94.8Very high96.7Very high85 Ų8568 Ų6846%0.45535%0.346SS..PPolyproline II helixtrans-68.3164164.565.355.4000110.8E45 Q46 L47D43-E45 VanDerWaalsContact C-N 3.28Å; D43-E45 PolarHBondContact O-N 2.99Å; D43-E45 PolarHBondContact OD1-N 2.94Å; D43-Q46 PolarHBondContact O-N 3.19Å; D43-Q46 WeakPolarHBondContact OD1-CB 3.32Å; D43-Q46 VanDerWaalsContact OD1-CG 3.32Å; D43-Q46 WeakPolarHBondContact OD1-CG 3.12Å; D43-Q46 PolarHBondContact OD1-N 3.4Å; D43-Q46 PolarHBondContact OD2-NE2 3Å; D43-Q46 PolarHBondContact OD2-OE1 2.76Å; D43-L47 WeakPolarHBondContact O-CB 3.18Å; D43-L47 PolarHBondContact O-N 2.97Å
44D93.7Very high96.7Very high104 Ų10463.5 Ų63.556%0.55632%0.319SS*.Hα-helixtrans-58.2-36.9-171.7-73.7-2.1000113.3K48D44-K48 WeakPolarHBondContact O-CB 3.38Å; D44-K48 VanDerWaalsContact O-CG 3.24Å; D44-K48 WeakPolarHBondContact O-CG 3.25Å; D44-K48 PolarHBondContact O-N 3.26Å
45E95.9Very high96.8Very high131 Ų13161.8 Ų61.861%0.61231%0.308SS*.Hα-helixtrans-73.8-45.6-179.3-67.6-57.8126.100111.2D43 L47 K48 E49D43-E45 VanDerWaalsContact C-N 3.28Å; D43-E45 PolarHBondContact O-N 2.99Å; D43-E45 PolarHBondContact OD1-N 2.94Å; E45-L47 VanDerWaalsContact C-N 3.28Å; E45-L47 PolarHBondContact O-N 3.46Å; E45-K48 PolarHBondContact O-N 3.18Å; E45-K48 IonicContact OE1-NZ 2.64Å; E45-E49 WeakPolarHBondContact O-CB 3.11Å; E45-E49 PolarHBondContact O-N 3.46Å
46Q97.2Very high96.8Very high90 Ų9060.4 Ų60.442%0.42130%0.302SS..Hα-helixtrans-61.8-37.5173.6-71.1175-6.500112L42 D43 E49 S50L42-Q46 HydrophobicContact CB-CB 4.05Å; L42-Q46 HydrophobicContact CD2-CB 4.31Å; D43-Q46 PolarHBondContact O-N 3.19Å; D43-Q46 WeakPolarHBondContact OD1-CB 3.32Å; D43-Q46 VanDerWaalsContact OD1-CG 3.32Å; D43-Q46 WeakPolarHBondContact OD1-CG 3.12Å; D43-Q46 PolarHBondContact OD1-N 3.4Å; D43-Q46 PolarHBondContact OD2-NE2 3Å; D43-Q46 PolarHBondContact OD2-OE1 2.76Å; Q46-E49 PolarHBondContact O-N 3.47Å; Q46-S50 VanDerWaalsContact O-CB 3.31Å; Q46-S50 WeakPolarHBondContact O-CB 3.45Å; Q46-S50 PolarHBondContact O-N 3.23Å; Q46-S50 PolarHBondContact O-OG 3.41Å
47L97.9Very high96.8Very high2 Ų258.1 Ų58.11%0.0129%0.291CS..Hα-helixtrans-64.5-48.7177.3-179.560.5000110.6L14 L42 D43 E45 E49 S50 I51 I57 T63 L65 V69L14-L47 HydrophobicContact CD2-CD1 4.48Å; L42-L47 HydrophobicContact CB-CB 4.08Å; D43-L47 WeakPolarHBondContact O-CB 3.18Å; D43-L47 PolarHBondContact O-N 2.97Å; E45-L47 VanDerWaalsContact C-N 3.28Å; E45-L47 PolarHBondContact O-N 3.46Å; L47-E49 VanDerWaalsContact C-N 3.32Å; L47-E49 PolarHBondContact O-N 2.97Å; L47-S50 PolarHBondContact O-N 3.07Å; L47-I51 VanDerWaalsContact O-CB 3.23Å; L47-I51 WeakPolarHBondContact O-CB 3.28Å; L47-I51 WeakPolarHBondContact O-CG2 3.29Å; L47-I51 PolarHBondContact O-N 2.97Å; L47-I57 HydrophobicContact CD1-CD1 3.98Å; L47-T63 HydrophobicContact CD1-CG2 4.08Å; L47-T63 HydrophobicContact CD2-CG2 3.62Å; L47-L65 HydrophobicContact CD2-CD2 4.26Å; L47-V69 HydrophobicContact CD2-CG1 3.69Å; L47-V69 HydrophobicContact CD2-CG2 4.16Å; L47-V69 HydrophobicContact CG-CG1 3.84Å
48K98.1Very high96.8Very high41 Ų4155.2 Ų55.218%0.17828%0.278CS..Hα-helixtrans-61.2-38.6176.1-75.7172.3-179.2175.60112.5D44 E45 R52 D68 A72D44-K48 WeakPolarHBondContact O-CB 3.38Å; D44-K48 VanDerWaalsContact O-CG 3.24Å; D44-K48 WeakPolarHBondContact O-CG 3.25Å; D44-K48 PolarHBondContact O-N 3.26Å; E45-K48 PolarHBondContact O-N 3.18Å; E45-K48 IonicContact OE1-NZ 2.64Å; K48-R52 PolarHBondContact O-N 3.37Å; K48-D68 WeakPolarHBondContact CE-OD2 3.3Å; K48-D68 IonicContact NZ-OD1 2.77Å; K48-D68 IonicContact NZ-OD2 3.31Å; K48-D68 PolarHBondContact NZ-OD2 2.94Å; K48-A72 HydrophobicContact CB-CB 3.98Å; K48-A72 HydrophobicContact CG-CB 3.81Å
49E97.9Very high96.8Very high128 Ų12852.5 Ų52.560%0.59827%0.265SS*.Hα-helixtrans-65.1-50175.6-176.2173.4-163.400111.4E45 Q46 L47 R52E45-E49 WeakPolarHBondContact O-CB 3.11Å; E45-E49 PolarHBondContact O-N 3.46Å; Q46-E49 PolarHBondContact O-N 3.47Å; L47-E49 VanDerWaalsContact C-N 3.32Å; L47-E49 PolarHBondContact O-N 2.97Å; E49-R52 WeakPolarHBondContact O-CB 3.3Å; E49-R52 PolarHBondContact O-N 2.89Å
50S97.5Very high96.8Very high17 Ų1747.7 Ų47.712%0.11924%0.242CC..Hα-helixtrans-72.2-33.6-174.1-53.30000112.9K12 E36 Q46 L47 R52K12-S50 PolarHBondContact NZ-O 3.2Å; E36-S50 PolarHBondContact OE1-OG 2.63Å; Q46-S50 VanDerWaalsContact O-CB 3.31Å; Q46-S50 WeakPolarHBondContact O-CB 3.45Å; Q46-S50 PolarHBondContact O-N 3.23Å; Q46-S50 PolarHBondContact O-OG 3.41Å; L47-S50 PolarHBondContact O-N 3.07Å; S50-R52 VanDerWaalsContact C-N 3.34Å
51I97.8Very high96.7Very high0 Ų049.3 Ų49.30%025%0.247CC..Hα-helixtrans-77.7-19.2-179.7-154.4177.4000112.6L14 L47 D53 A54 I57 L65 V69 A73 L76L14-I51 HydrophobicContact CD2-CB 4.16Å; L14-I51 HydrophobicContact CD2-CG1 4.49Å; L47-I51 VanDerWaalsContact O-CB 3.23Å; L47-I51 WeakPolarHBondContact O-CB 3.28Å; L47-I51 WeakPolarHBondContact O-CG2 3.29Å; L47-I51 PolarHBondContact O-N 2.97Å; I51-D53 VanDerWaalsContact C-N 3.29Å; I51-D53 PolarHBondContact O-N 2.8Å; I51-A54 HydrophobicContact CG1-CB 4.43Å; I51-A54 PolarHBondContact O-N 2.6Å; I51-A54 VanDerWaalsContact O-N 3.15Å; I51-I57 HydrophobicContact CD1-CB 4.47Å; I51-I57 HydrophobicContact CD1-CD1 3.59Å; I51-I57 HydrophobicContact CD1-CG2 4.35Å; I51-I57 HydrophobicContact CG1-CD1 4.03Å; I51-L65 HydrophobicContact CD1-CD2 4.26Å; I51-V69 HydrophobicContact CD1-CG1 4.2Å; I51-A73 HydrophobicContact CB-CB 4.43Å; I51-A73 HydrophobicContact CD1-CB 4Å; I51-A73 HydrophobicContact CG1-CB 3.81Å; I51-A73 HydrophobicContact CG2-CB 3.99Å; I51-L76 HydrophobicContact CD1-CD2 4.11Å
52R97.9Very high96.6Very high121 Ų12156.9 Ų56.946%0.45727%0.267SS..THydrogen-bonded Turntrans-51.6-47.3-175.5-170.5-176.6-65.1147.72.6112.2K48 E49 S50 A72 E74 K75K48-R52 PolarHBondContact O-N 3.37Å; E49-R52 WeakPolarHBondContact O-CB 3.3Å; E49-R52 PolarHBondContact O-N 2.89Å; S50-R52 VanDerWaalsContact C-N 3.34Å; R52-A72 WeakPolarHBondContact CA-O 3.35Å; R52-E74 WeakPolarHBondContact CD-OE1 3.44Å; R52-E74 HydrophobicContact CG-CG 3.82Å; R52-E74 WeakPolarHBondContact CG-OE1 3.4Å; R52-E74 WeakPolarHBondContact O-CB 3.44Å; R52-E74 PolarHBondContact O-N 3.44Å; R52-K75 PolarHBondContact O-N 3.41Å
53D96.9Very high96.6Very high65 Ų6556.1 Ų56.135%0.34826%0.263SS..THydrogen-bonded Turntrans-104.73.5-179.173.9-31.9000114.1K12 I51 K75K12-D53 WeakPolarHBondContact CD-OD1 3.25Å; K12-D53 WeakPolarHBondContact CD-OD2 3.13Å; K12-D53 IonicContact NZ-OD1 3.55Å; K12-D53 PolarHBondContact NZ-OD1 2.98Å; K12-D53 IonicContact NZ-OD2 3.81Å; I51-D53 VanDerWaalsContact C-N 3.29Å; I51-D53 PolarHBondContact O-N 2.8Å; D53-K75 HydrophobicContact CB-CD 4.41Å
54A98.3Very high96.7Very high0 Ų057.2 Ų57.20%027%0.265CS..  trans-71.7136.2176.600000111.1K12 L14 I51 K75 L76K12-A54 HydrophobicContact CD-CB 4.48Å; L14-A54 HydrophobicContact CB-CB 3.94Å; I51-A54 HydrophobicContact CG1-CB 4.43Å; I51-A54 PolarHBondContact O-N 2.6Å; I51-A54 VanDerWaalsContact O-N 3.15Å; A54-K75 CarbonylContact O-C 3.59Å; A54-K75 VanDerWaalsContact O-C 3.23Å; A54-L76 WeakPolarHBondContact O-CA 3.39Å; A54-L76 PolarHBondContact O-N 2.95Å
55H98.2Very high96.9Very high27 Ų2752.3 Ų52.313%0.12524%0.239CC..SBendtrans-90.1-30.4172.3-6373.7000110.8L6 I11 K12 V77 A78L6-H55 VanDerWaalsContact CD2-NE2 3.27Å; L6-H55 WeakPolarHBondContact CD2-NE2 3.39Å; I11-H55 HydrophobicContact CG2-CB 3.9Å; K12-H55 PolarHBondContact N-ND1 3.01Å; K12-H55 PolarHBondContact O-N 3.43Å; H55-V77 HydrophobicContact CB-CG2 4.36Å; H55-V77 WeakPolarHBondContact O-CA 3.4Å; H55-V77 VanDerWaalsContact O-CB 3.31Å; H55-V77 WeakPolarHBondContact O-CB 3.5Å; H55-V77 PolarHBondContact O-N 3.22Å; H55-A78 PolarHBondContact O-N 3.1Å
56F98.6Very high97Very high3 Ų349.1 Ų49.11%0.01323%0.228CC..EExtended strand (participates in β ladder)trans-134.7140.3177.9-64.8-86.3000109I11 K12 F13 L14 V77 A78 L312 Y315 S316I11-F56 HydrophobicContact CG2-CD2 3.58Å; I11-F56 HydrophobicContact CG2-CE2 3.49Å; I11-F56 VanDerWaalsContact CG2-CE2 3.49Å; K12-F56 PolarHBondContact O-N 2.88Å; K12-F56 VanDerWaalsContact O-N 3.12Å; F13-F56 WeakPolarHBondContact CA-O 3.4Å; F13-F56 HydrophobicContact CD1-CB 3.39Å; F13-F56 HydrophobicContact CD1-CD2 4.35Å; F13-F56 HydrophobicContact CD1-CG 4Å; F13-F56 HydrophobicContact CD2-CB 4.38Å; F13-F56 HydrophobicContact CD2-CD2 4.11Å; F13-F56 HydrophobicContact CE1-CB 3.39Å; F13-F56 HydrophobicContact CE1-CD1 4.11Å; F13-F56 AromaticContact CE1-CD2 3.82Å; F13-F56 HydrophobicContact CE1-CD2 3.82Å; F13-F56 AromaticContact CE1-CG 3.49Å; F13-F56 HydrophobicContact CE1-CG 3.49Å; F13-F56 VanDerWaalsContact CE1-CG 3.49Å; F13-F56 HydrophobicContact CE2-CB 4.38Å; F13-F56 AromaticContact CE2-CD2 3.54Å; F13-F56 HydrophobicContact CE2-CD2 3.54Å; F13-F56 HydrophobicContact CE2-CE2 4.14Å; F13-F56 HydrophobicContact CE2-CG 4.11Å; F13-F56 HydrophobicContact CG-CB 3.9Å; F13-F56 HydrophobicContact CG-CD2 4.47Å; F13-F56 HydrophobicContact CZ-CB 3.92Å; F13-F56 HydrophobicContact CZ-CD1 4.21Å; F13-F56 AromaticContact CZ-CD2 3.37Å; F13-F56 HydrophobicContact CZ-CD2 3.37Å; F13-F56 AromaticContact CZ-CE2 3.94Å; F13-F56 HydrophobicContact CZ-CE2 3.94Å; F13-F56 AromaticContact CZ-CG 3.55Å; F13-F56 HydrophobicContact CZ-CG 3.55Å; L14-F56 PolarHBondContact N-O 2.7Å; F56-V77 HydrophobicContact CE1-CB 4.37Å; F56-V77 HydrophobicContact CE1-CG1 4.31Å; F56-V77 HydrophobicContact CZ-CB 4.18Å; F56-V77 HydrophobicContact CZ-CG1 4.07Å; F56-A78 WeakPolarHBondContact CA-O 3.32Å; F56-A78 HydrophobicContact CD1-CB 3.82Å; F56-A78 HydrophobicContact CE1-CB 3.74Å; F56-L312 HydrophobicContact CD1-CB 4.36Å; F56-L312 HydrophobicContact CD1-CD2 4.1Å; F56-Y315 HydrophobicContact CE1-CD1 4.24Å; F56-S316 WeakPolarHBondContact CZ-OG 3.29Å
57I98.7Very high97Very high0 Ų049.3 Ų49.30%023%0.229CC..EExtended strand (participates in β ladder)trans-120.3134.3169.7-171.7170.2000110.3L14 L47 I51 L59 L65 L76 A78 I79 G80L14-I57 HydrophobicContact CB-CG1 4.4Å; L14-I57 HydrophobicContact CD2-CD1 3.96Å; L14-I57 HydrophobicContact CD2-CG1 4.26Å; L14-I57 HydrophobicContact CG-CD1 4.45Å; L14-I57 HydrophobicContact CG-CG1 4.25Å; L14-I57 CarbonylContact O-C 3.08Å; L14-I57 VanDerWaalsContact O-CA 3.24Å; L14-I57 WeakPolarHBondContact O-CA 3.36Å; L47-I57 HydrophobicContact CD1-CD1 3.98Å; I51-I57 HydrophobicContact CD1-CB 4.47Å; I51-I57 HydrophobicContact CD1-CD1 3.59Å; I51-I57 HydrophobicContact CD1-CG2 4.35Å; I51-I57 HydrophobicContact CG1-CD1 4.03Å; I57-L59 HydrophobicContact CD1-CD2 4.5Å; I57-L59 HydrophobicContact CG1-CD2 4.26Å; I57-L59 HydrophobicContact CG2-CD2 4.3Å; I57-L65 HydrophobicContact CD1-CD1 4.36Å; I57-L65 HydrophobicContact CD1-CD2 3.87Å; I57-L65 HydrophobicContact CG2-CD1 3.77Å; I57-L76 HydrophobicContact CB-CD1 4.25Å; I57-L76 HydrophobicContact CG2-CD1 3.84Å; I57-L76 HydrophobicContact CG2-CD2 4.35Å; I57-A78 PolarHBondContact N-O 3.31Å; I57-I79 HydrophobicContact CG2-CB 4.17Å; I57-I79 HydrophobicContact CG2-CG1 3.66Å; I57-I79 HydrophobicContact CG2-CG2 4.14Å; I57-G80 PolarHBondContact O-N 3.33Å
58G98.5Very high97Very high0 Ų053.6 Ų53.60%025%0.252CS..EExtended strand (participates in β ladder)trans-115.5125.9171.400000110.4L14 L15 V16 G80L14-G58 PolarHBondContact O-N 2.96Å; L15-G58 CarbonylContact C-O 3.45Å; L15-G58 WeakPolarHBondContact CA-O 3.49Å; V16-G58 WeakPolarHBondContact CG2-O 3.31Å; V16-G58 PolarHBondContact N-O 2.96Å; G58-G80 VanDerWaalsContact CA-O 3.25Å; G58-G80 WeakPolarHBondContact CA-O 3.3Å
59L98Very high97Very high0 Ų051.7 Ų51.70%024%0.244CC..EExtended strand (participates in β ladder)trans-138.3169.6179.959.6138000111.6V16 I57 T63 L65 I79 G80 C81 F82 Q88 V89V16-L59 HydrophobicContact CG2-CB 3.65Å; I57-L59 HydrophobicContact CD1-CD2 4.5Å; I57-L59 HydrophobicContact CG1-CD2 4.26Å; I57-L59 HydrophobicContact CG2-CD2 4.3Å; L59-T63 HydrophobicContact CB-CG2 4.35Å; L59-T63 HydrophobicContact CD1-CG2 4.39Å; L59-T63 WeakPolarHBondContact CD1-O 3.43Å; L59-L65 HydrophobicContact CD1-CG 4.29Å; L59-L65 HydrophobicContact CD2-CD1 3.44Å; L59-L65 VanDerWaalsContact CD2-CD1 3.44Å; L59-L65 HydrophobicContact CD2-CD2 4.49Å; L59-L65 HydrophobicContact CD2-CG 3.87Å; L59-I79 HydrophobicContact CD2-CG2 3.83Å; L59-G80 PolarHBondContact N-O 2.94Å; L59-C81 CarbonylContact O-C 3.57Å; L59-F82 PolarHBondContact O-N 3.15Å; L59-Q88 HydrophobicContact CD1-CG 3.45Å; L59-Q88 VanDerWaalsContact CD1-CG 3.45Å; L59-V89 HydrophobicContact CD1-CG2 4.15Å
60R95.2Very high97Very high84 Ų8445.6 Ų45.632%0.31722%0.216SC..  trans-111.5-134171-56.8177.970.5-158.4-1.9108.1E17 F82 Q88E17-R60 HydrophobicContact CB-CB 3.98Å; E17-R60 HydrophobicContact CB-CG 4.03Å; E17-R60 WeakPolarHBondContact O-CD 3.41Å; E17-R60 VanDerWaalsContact OE1-C 3.3Å; E17-R60 PolarHBondContact OE1-N 3.21Å; E17-R60 WeakPolarHBondContact OE2-CB 3.47Å; R60-F82 HydrophobicContact CG-CB 4.25Å; R60-Q88 WeakPolarHBondContact O-CG 3.22Å; R60-Q88 PolarHBondContact O-NE2 3.07Å
61S90.8Very high97Very high75 Ų7549.1 Ų49.152%0.52423%0.233SC..SBendtrans-96.9-11.1-169.5-63.30000114.5E17E17-S61 PolarHBondContact OE2-N 2.99Å
62R90.9Very high97Very high201 Ų20150.5 Ų50.576%0.75824%0.244SC*.SBendtrans-93.7-30.9-174.9-59.2-179.360.8161.7-0113.8E17 A41 H64E17-R62 HydrophobicContact CG-CB 4.38Å; E17-R62 PolarHBondContact OE1-N 3.18Å; E17-R62 WeakPolarHBondContact OE2-CA 3.41Å; E17-R62 WeakPolarHBondContact OE2-CB 3.47Å; E17-R62 WeakPolarHBondContact OE2-CG 3.26Å; E17-R62 PolarHBondContact OE2-N 3.48Å; A41-R62 HydrophobicContact CB-CB 4.2Å; R62-H64 PolarHBondContact O-CD2 3.01Å
63T95.8Very high97Very high4 Ų444.7 Ų44.73%0.02522%0.222CC..SBendtrans-80.8125.9176.1-70.90000109.2V16 E17 L47 L59 L65 Q88V16-T63 HydrophobicContact CG2-CG2 4.25Å; E17-T63 VanDerWaalsContact OE1-CB 3.22Å; E17-T63 WeakPolarHBondContact OE1-CB 3.4Å; E17-T63 PolarHBondContact OE1-N 3.05Å; E17-T63 PolarHBondContact OE1-OG1 3.23Å; L47-T63 HydrophobicContact CD1-CG2 4.08Å; L47-T63 HydrophobicContact CD2-CG2 3.62Å; L59-T63 HydrophobicContact CB-CG2 4.35Å; L59-T63 HydrophobicContact CD1-CG2 4.39Å; L59-T63 WeakPolarHBondContact CD1-O 3.43Å; T63-L65 HydrophobicContact CG2-CD2 4.04Å; T63-Q88 WeakPolarHBondContact O-CB 3.28Å; T63-Q88 VanDerWaalsContact O-CG 3.25Å; T63-Q88 WeakPolarHBondContact O-CG 3.5Å
64H96.4Very high97Very high109 Ų10947.9 Ų47.951%0.50524%0.235SC..  trans-101.5118.6177.3-76.4-126.1000110.1R62 T66 Q88R62-H64 PolarHBondContact O-CD2 3.01Å; H64-T66 HydrophobicContact CB-CG2 4.41Å; H64-T66 PolarHBondContact O-N 3.28Å; H64-Q88 CarbonylContact C-O 3.23Å; H64-Q88 VanDerWaalsContact CA-O 3.29Å; H64-Q88 WeakPolarHBondContact CA-O 3.35Å
65L98.1Very high96.9Very high1 Ų152.7 Ų52.71%0.00526%0.256CS..BIsolated β-bridgetrans-92.579.7171.8-59.8-169.3000109.5L47 I51 I57 L59 T63 V69 I70 I79 Q88 V89 D90L47-L65 HydrophobicContact CD2-CD2 4.26Å; I51-L65 HydrophobicContact CD1-CD2 4.26Å; I57-L65 HydrophobicContact CD1-CD1 4.36Å; I57-L65 HydrophobicContact CD1-CD2 3.87Å; I57-L65 HydrophobicContact CG2-CD1 3.77Å; L59-L65 HydrophobicContact CD1-CG 4.29Å; L59-L65 HydrophobicContact CD2-CD1 3.44Å; L59-L65 VanDerWaalsContact CD2-CD1 3.44Å; L59-L65 HydrophobicContact CD2-CD2 4.49Å; L59-L65 HydrophobicContact CD2-CG 3.87Å; T63-L65 HydrophobicContact CG2-CD2 4.04Å; L65-V69 HydrophobicContact CD2-CG1 3.74Å; L65-I70 HydrophobicContact CB-CD1 4.42Å; L65-I70 HydrophobicContact CB-CG1 4.22Å; L65-I79 HydrophobicContact CD1-CD1 3.76Å; L65-I79 HydrophobicContact CD1-CG1 3.91Å; L65-I79 HydrophobicContact CD1-CG2 3.76Å; L65-Q88 PolarHBondContact N-O 3.16Å; L65-V89 HydrophobicContact CB-CG1 4.26Å; L65-V89 HydrophobicContact CB-CG2 4.26Å; L65-V89 HydrophobicContact CD1-CG2 4.3Å; L65-V89 HydrophobicContact CG-CG2 4.4Å; L65-D90 PolarHBondContact O-N 3.25Å
66T97.8Very high96.9Very high64 Ų6451.4 Ų51.439%0.39325%0.25SS..  trans-70.3165.717264.20000111H64 D68 V69 I70H64-T66 HydrophobicContact CB-CG2 4.41Å; H64-T66 PolarHBondContact O-N 3.28Å; T66-D68 PolarHBondContact O-N 2.86Å; T66-V69 PolarHBondContact O-N 3.46Å; T66-V69 VanDerWaalsContact O-N 3.17Å; T66-V69 PolarHBondContact OG1-N 2.87Å; T66-I70 WeakPolarHBondContact O-CB 3.42Å; T66-I70 WeakPolarHBondContact O-CG1 3.3Å; T66-I70 PolarHBondContact O-N 2.99Å
67E98.1Very high96.8Very high93 Ų9352.2 Ų52.244%0.43526%0.255SS..Hα-helixtrans-51.4-39.7173-178167.9-149.700112.5I70 N71 A93E67-I70 PolarHBondContact O-N 3.05Å; E67-N71 WeakPolarHBondContact O-CB 3.11Å; E67-N71 PolarHBondContact O-N 3.38Å; E67-N71 PolarHBondContact O-ND2 3.33Å; E67-N71 VanDerWaalsContact O-ND2 3.16Å; E67-A93 HydrophobicContact CB-CB 3.76Å; E67-A93 HydrophobicContact CG-CB 3.84Å
68D97.9Very high96.8Very high92 Ų9252.2 Ų52.249%0.49226%0.255SS..Hα-helixtrans-64.1-46.3178.3-178.247.7000112.7K48 T66 N71 A72K48-D68 WeakPolarHBondContact CE-OD2 3.3Å; K48-D68 IonicContact NZ-OD1 2.77Å; K48-D68 IonicContact NZ-OD2 3.31Å; K48-D68 PolarHBondContact NZ-OD2 2.94Å; T66-D68 PolarHBondContact O-N 2.86Å; D68-N71 PolarHBondContact O-N 2.92Å; D68-A72 PolarHBondContact O-N 3.23Å
69V97.9Very high96.8Very high2 Ų252.2 Ų52.21%0.01226%0.255CS..Hα-helixtrans-64.6-42.9175.2174.60000110.9L47 I51 L65 T66 N71 A72L47-V69 HydrophobicContact CD2-CG1 3.69Å; L47-V69 HydrophobicContact CD2-CG2 4.16Å; L47-V69 HydrophobicContact CG-CG1 3.84Å; I51-V69 HydrophobicContact CD1-CG1 4.2Å; L65-V69 HydrophobicContact CD2-CG1 3.74Å; T66-V69 PolarHBondContact O-N 3.46Å; T66-V69 VanDerWaalsContact O-N 3.17Å; T66-V69 PolarHBondContact OG1-N 2.87Å; V69-N71 VanDerWaalsContact C-N 3.31Å; V69-N71 PolarHBondContact O-N 3.31Å; V69-A72 PolarHBondContact O-N 2.82Å
70I98.1Very high96.8Very high0 Ų052.2 Ų52.20%026%0.255CS..Hα-helixtrans-59.1-45.8176.4-71.7167.7000109.2L65 T66 E67 A72 A73 D90 A93 A94 R97 I99L65-I70 HydrophobicContact CB-CD1 4.42Å; L65-I70 HydrophobicContact CB-CG1 4.22Å; T66-I70 WeakPolarHBondContact O-CB 3.42Å; T66-I70 WeakPolarHBondContact O-CG1 3.3Å; T66-I70 PolarHBondContact O-N 2.99Å; E67-I70 PolarHBondContact O-N 3.05Å; I70-A72 VanDerWaalsContact C-N 3.28Å; I70-A72 PolarHBondContact O-N 2.9Å; I70-A73 VanDerWaalsContact O-CB 3.26Å; I70-A73 WeakPolarHBondContact O-CB 3.45Å; I70-A73 PolarHBondContact O-N 3.36Å; I70-D90 HydrophobicContact CD1-CB 4.18Å; I70-A93 HydrophobicContact CD1-CB 3.99Å; I70-A94 HydrophobicContact CD1-CB 4.14Å; I70-R97 PolarHBondContact O-NH1 3.33Å; I70-I99 HydrophobicContact CG2-CD1 4.33Å
71N97.3Very high97Very high90 Ų9048.2 Ų48.248%0.48124%0.24SC..Hα-helixtrans-62.5-31.1-179.4-74.9-26.2000113.8E67 D68 V69 A73E67-N71 WeakPolarHBondContact O-CB 3.11Å; E67-N71 PolarHBondContact O-N 3.38Å; E67-N71 PolarHBondContact O-ND2 3.33Å; E67-N71 VanDerWaalsContact O-ND2 3.16Å; D68-N71 PolarHBondContact O-N 2.92Å; V69-N71 VanDerWaalsContact C-N 3.31Å; V69-N71 PolarHBondContact O-N 3.31Å; N71-A73 PolarHBondContact O-N 2.99Å
72A97.6Very high97.3Very high29 Ų2944.8 Ų44.824%0.2422%0.216CC..Hα-helixtrans-67.1-18.5173.400000113.3K48 R52 D68 V69 I70 E74K48-A72 HydrophobicContact CB-CB 3.98Å; K48-A72 HydrophobicContact CG-CB 3.81Å; R52-A72 WeakPolarHBondContact CA-O 3.35Å; D68-A72 PolarHBondContact O-N 3.23Å; V69-A72 PolarHBondContact O-N 2.82Å; I70-A72 VanDerWaalsContact C-N 3.28Å; I70-A72 PolarHBondContact O-N 2.9Å; A72-E74 PolarHBondContact O-N 2.92Å
73A97.6Very high97.4Very high0 Ų035.9 Ų35.90%018%0.184CC..  trans-83.1105.3-178.900000111.8I51 I70 N71 L76 R97I51-A73 HydrophobicContact CB-CB 4.43Å; I51-A73 HydrophobicContact CD1-CB 4Å; I51-A73 HydrophobicContact CG1-CB 3.81Å; I51-A73 HydrophobicContact CG2-CB 3.99Å; I70-A73 VanDerWaalsContact O-CB 3.26Å; I70-A73 WeakPolarHBondContact O-CB 3.45Å; I70-A73 PolarHBondContact O-N 3.36Å; N71-A73 PolarHBondContact O-N 2.99Å; A73-L76 HydrophobicContact CB-CB 3.59Å; A73-L76 HydrophobicContact CB-CD2 3.93Å; A73-L76 HydrophobicContact CB-CG 4.38Å; A73-R97 PolarHBondContact O-NH1 3.35Å; A73-R97 PolarHBondContact O-NH2 3.44Å
74E96.7Very high97.2Very high131 Ų13138 Ų3861%0.61220%0.195SC*.SBendtrans-79.7-33-175.3-59.8175.1-171.200112.3R52 A72R52-E74 WeakPolarHBondContact CD-OE1 3.44Å; R52-E74 HydrophobicContact CG-CG 3.82Å; R52-E74 WeakPolarHBondContact CG-OE1 3.4Å; R52-E74 WeakPolarHBondContact O-CB 3.44Å; R52-E74 PolarHBondContact O-N 3.44Å; A72-E74 PolarHBondContact O-N 2.92Å
75K96.5Very high96.9Very high101 Ų10134.4 Ų34.444%0.43919%0.187SC..SBendtrans-109.90-173.7-61.2-174.7-173.2169.30114.6R52 D53 A54 V77R52-K75 PolarHBondContact O-N 3.41Å; D53-K75 HydrophobicContact CB-CD 4.41Å; A54-K75 CarbonylContact O-C 3.59Å; A54-K75 VanDerWaalsContact O-C 3.23Å; K75-V77 WeakPolarHBondContact O-CG2 3.49Å; K75-V77 PolarHBondContact O-N 3.13Å
76L98.1Very high96.8Very high0 Ų035.2 Ų35.20%019%0.193CC..  trans-62.6122.9-170.1-173.863.3000112.5I51 A54 I57 A73 A78 I79 I99 R405I51-L76 HydrophobicContact CD1-CD2 4.11Å; A54-L76 WeakPolarHBondContact O-CA 3.39Å; A54-L76 PolarHBondContact O-N 2.95Å; I57-L76 HydrophobicContact CB-CD1 4.25Å; I57-L76 HydrophobicContact CG2-CD1 3.84Å; I57-L76 HydrophobicContact CG2-CD2 4.35Å; A73-L76 HydrophobicContact CB-CB 3.59Å; A73-L76 HydrophobicContact CB-CD2 3.93Å; A73-L76 HydrophobicContact CB-CG 4.38Å; L76-A78 WeakPolarHBondContact CD1-O 3.32Å; L76-I79 HydrophobicContact CD2-CD1 4.19Å; L76-I79 HydrophobicContact CD2-CG1 3.98Å; L76-I99 HydrophobicContact CB-CD1 4.16Å; L76-I99 HydrophobicContact CD2-CD1 3.99Å; L76-I99 HydrophobicContact CD2-CG2 4.32Å; L76-I99 HydrophobicContact CG-CD1 4.06Å; L76-I99 HydrophobicContact CG-CG2 4.18Å; L76-R405 VanDerWaalsContact O-CZ 3.29Å; L76-R405 PolarHBondContact O-NH1 3.34Å; L76-R405 PolarHBondContact O-NH2 2.98Å
77V96.6Very high96.5Very high20 Ų2039.9 Ų39.912%0.12122%0.215CC..  trans-103.8-43.2-176.1179.10000111.4H55 F56 K75 P100 Y315H55-V77 HydrophobicContact CB-CG2 4.36Å; H55-V77 WeakPolarHBondContact O-CA 3.4Å; H55-V77 VanDerWaalsContact O-CB 3.31Å; H55-V77 WeakPolarHBondContact O-CB 3.5Å; H55-V77 PolarHBondContact O-N 3.22Å; F56-V77 HydrophobicContact CE1-CB 4.37Å; F56-V77 HydrophobicContact CE1-CG1 4.31Å; F56-V77 HydrophobicContact CZ-CB 4.18Å; F56-V77 HydrophobicContact CZ-CG1 4.07Å; K75-V77 WeakPolarHBondContact O-CG2 3.49Å; K75-V77 PolarHBondContact O-N 3.13Å; V77-P100 WeakPolarHBondContact O-CD 3.25Å; V77-Y315 HydrophobicContact CG1-CD1 4.28Å; V77-Y315 HydrophobicContact CG1-CE1 3.55Å
78A98.5Very high96.4Very high0 Ų036 Ų360%020%0.197CC..EExtended strand (participates in β ladder)trans-153.2160.9174.500000112.8H55 F56 I57 L76 P100 F102 L312 Y315H55-A78 PolarHBondContact O-N 3.1Å; F56-A78 WeakPolarHBondContact CA-O 3.32Å; F56-A78 HydrophobicContact CD1-CB 3.82Å; F56-A78 HydrophobicContact CE1-CB 3.74Å; I57-A78 PolarHBondContact N-O 3.31Å; L76-A78 WeakPolarHBondContact CD1-O 3.32Å; A78-P100 WeakPolarHBondContact CA-O 3.49Å; A78-P100 HydrophobicContact CB-CG 3.98Å; A78-F102 HydrophobicContact CB-CD2 4.5Å; A78-F102 HydrophobicContact CB-CE2 4.13Å; A78-L312 HydrophobicContact CB-CD2 4.01Å; A78-Y315 HydrophobicContact CB-CD1 3.67Å; A78-Y315 HydrophobicContact CB-CE1 3.85Å
79I98.8Very high96.4Very high0 Ų032 Ų320%018%0.176CC..EExtended strand (participates in β ladder)trans-116134.4178.2-64161.5000109.1I57 L59 L65 L76 V89 A94 I99 P100 V101 F102I57-I79 HydrophobicContact CG2-CB 4.17Å; I57-I79 HydrophobicContact CG2-CG1 3.66Å; I57-I79 HydrophobicContact CG2-CG2 4.14Å; L59-I79 HydrophobicContact CD2-CG2 3.83Å; L65-I79 HydrophobicContact CD1-CD1 3.76Å; L65-I79 HydrophobicContact CD1-CG1 3.91Å; L65-I79 HydrophobicContact CD1-CG2 3.76Å; L76-I79 HydrophobicContact CD2-CD1 4.19Å; L76-I79 HydrophobicContact CD2-CG1 3.98Å; I79-V89 HydrophobicContact CD1-CG1 4Å; I79-V89 HydrophobicContact CG2-CG1 4.48Å; I79-V89 HydrophobicContact CG2-CG2 4.2Å; I79-A94 HydrophobicContact CD1-CB 4.11Å; I79-I99 HydrophobicContact CD1-CG2 3.86Å; I79-I99 HydrophobicContact CG1-CG2 3.88Å; I79-P100 PolarHBondContact N-O 3.26Å; I79-V101 HydrophobicContact CB-CG1 4.41Å; I79-V101 HydrophobicContact CB-CG2 4.08Å; I79-V101 HydrophobicContact CD1-CG2 4.05Å; I79-V101 HydrophobicContact CG2-CG1 4.18Å; I79-V101 WeakPolarHBondContact O-CA 3.38Å; I79-F102 PolarHBondContact O-N 3.44Å
80G98.6Very high96.5Very high0 Ų034.7 Ų34.70%019%0.19CC..EExtended strand (participates in β ladder)trans-114.1111.6171.100000111.4I57 G58 L59 F82 F102I57-G80 PolarHBondContact O-N 3.33Å; G58-G80 VanDerWaalsContact CA-O 3.25Å; G58-G80 WeakPolarHBondContact CA-O 3.3Å; L59-G80 PolarHBondContact N-O 2.94Å; G80-F82 WeakPolarHBondContact O-CD2 3.48Å; G80-F82 PolarHBondContact O-N 3.48Å; G80-F102 CarbonylContact C-O 3.47Å
81C98.3Very high96.5Very high0 Ų037 Ų370%020%0.202CC..EExtended strand (participates in β ladder)trans-81.3100.7166.7-60.90000108.3L59 C83 T86 V89 F102 N103 V308L59-C81 CarbonylContact O-C 3.57Å; C81-C83 PolarHBondContact O-N 2.82Å; C81-T86 HydrophobicContact CB-CG2 4.08Å; C81-V89 VanDerWaalsContact SG-CG2 3.57Å; C81-F102 PolarHBondContact N-O 3.26Å; C81-N103 HydrophobicContact CB-CB 4.1Å; C81-N103 WeakPolarHBondContact O-CA 3.24Å; C81-V308 WeakPolarHBondContact O-CG2 3.37Å
82F97.1Very high96.5Very high4 Ų437.9 Ų37.92%0.01821%0.207CC..SBendtrans-74.852.7173.7-71.4-95.7000110.9L15 V19 A23 L59 R60 G80 I304 V308 A309 L312L15-F82 HydrophobicContact CD2-CE2 4.12Å; L15-F82 HydrophobicContact CD2-CZ 4.41Å; V19-F82 HydrophobicContact CB-CB 4.37Å; V19-F82 HydrophobicContact CB-CD1 4.2Å; V19-F82 HydrophobicContact CB-CG 4.11Å; V19-F82 HydrophobicContact CG1-CB 4.02Å; V19-F82 HydrophobicContact CG1-CD1 4.43Å; V19-F82 HydrophobicContact CG1-CD2 3.9Å; V19-F82 HydrophobicContact CG1-CG 3.85Å; A23-F82 HydrophobicContact CB-CD1 4.25Å; A23-F82 HydrophobicContact CB-CE1 3.5Å; A23-F82 VanDerWaalsContact CB-CE1 3.5Å; A23-F82 HydrophobicContact CB-CZ 4.13Å; L59-F82 PolarHBondContact O-N 3.15Å; R60-F82 HydrophobicContact CG-CB 4.25Å; G80-F82 WeakPolarHBondContact O-CD2 3.48Å; G80-F82 PolarHBondContact O-N 3.48Å; F82-I304 HydrophobicContact CB-CG2 4.09Å; F82-I304 WeakPolarHBondContact O-CG2 3.13Å; F82-V308 HydrophobicContact CD1-CB 3.83Å; F82-V308 HydrophobicContact CD1-CG1 4.15Å; F82-V308 HydrophobicContact CD1-CG2 4.45Å; F82-V308 HydrophobicContact CD2-CB 4.49Å; F82-V308 HydrophobicContact CD2-CG1 3.91Å; F82-V308 HydrophobicContact CE1-CB 3.72Å; F82-V308 HydrophobicContact CE1-CG1 3.96Å; F82-V308 HydrophobicContact CE2-CB 4.37Å; F82-V308 HydrophobicContact CE2-CG1 3.69Å; F82-V308 HydrophobicContact CG-CB 4.23Å; F82-V308 HydrophobicContact CG-CG1 4.14Å; F82-V308 HydrophobicContact CZ-CB 4.01Å; F82-V308 HydrophobicContact CZ-CG1 3.73Å; F82-A309 HydrophobicContact CE1-CB 4.32Å; F82-A309 HydrophobicContact CZ-CB 4.45Å; F82-L312 HydrophobicContact CE2-CD1 4.29Å; F82-L312 HydrophobicContact CZ-CD1 4.35Å
83C94.1Very high96.5Very high13 Ų1336.7 Ų36.79%0.08820%0.197CC..SBendtrans-158.1-177.9176.556.70000109.5C81 G85 Q88 A104C81-C83 PolarHBondContact O-N 2.82Å; C83-G85 PolarHBondContact SG-O 3.46Å; C83-Q88 PolarHBondContact SG-NE2 2.82Å; C83-A104 PolarHBondContact O-N 3.49Å
84I91Very high96.5Very high48 Ų4836.7 Ų36.725%0.24620%0.197CC..SBendtrans-78.1-45.6179.3-52.8-54.5000111.1N103 A104 N108 I304I84-N103 PolarHBondContact O-ND2 2.84Å; I84-A104 WeakPolarHBondContact CD1-O 3.48Å; I84-N108 HydrophobicContact CD1-CB 4.01Å; I84-N108 HydrophobicContact CG1-CB 4.48Å; I84-I304 HydrophobicContact CD1-CD1 3.97Å; I84-I304 HydrophobicContact CD1-CG1 4.32Å
85G89.9Confident96.5Very high34 Ų3431.2 Ų31.235%0.35117%0.174SC..  trans-90.9170.7-176.100000113.9C83C83-G85 PolarHBondContact SG-O 3.46Å
86T95.7Very high96.4Very high19 Ų1932.4 Ų32.412%0.11718%0.179CC..  trans-133.718178.460.20000112.8C81 Q88 V89 V101 N103 V325C81-T86 HydrophobicContact CB-CG2 4.08Å; T86-Q88 PolarHBondContact O-N 2.78Å; T86-Q88 VanDerWaalsContact O-N 3.14Å; T86-V89 PolarHBondContact O-N 3.31Å; T86-V101 HydrophobicContact CG2-CG1 4.32Å; T86-N103 HydrophobicContact CG2-CB 3.73Å; T86-V325 HydrophobicContact CG2-CG1 4.38Å; T86-V325 HydrophobicContact CG2-CG2 4.03Å
87N93Very high96.3Very high161 Ų16135.4 Ų35.486%0.86119%0.191SC*.THydrogen-bonded Turntrans-61-24.5-175-63.1-6.7000113.4V89N87-V89 VanDerWaalsContact C-N 3.26Å; N87-V89 PolarHBondContact O-N 3.22Å
88Q95.4Very high96.3Very high12 Ų1234.4 Ų34.46%0.05619%0.185CC..THydrogen-bonded Turntrans-82.30.9179.877.1-72.76.600113.2L59 R60 T63 H64 L65 C83 T86L59-Q88 HydrophobicContact CD1-CG 3.45Å; L59-Q88 VanDerWaalsContact CD1-CG 3.45Å; R60-Q88 WeakPolarHBondContact O-CG 3.22Å; R60-Q88 PolarHBondContact O-NE2 3.07Å; T63-Q88 WeakPolarHBondContact O-CB 3.28Å; T63-Q88 VanDerWaalsContact O-CG 3.25Å; T63-Q88 WeakPolarHBondContact O-CG 3.5Å; H64-Q88 CarbonylContact C-O 3.23Å; H64-Q88 VanDerWaalsContact CA-O 3.29Å; H64-Q88 WeakPolarHBondContact CA-O 3.35Å; L65-Q88 PolarHBondContact N-O 3.16Å; C83-Q88 PolarHBondContact SG-NE2 2.82Å; T86-Q88 PolarHBondContact O-N 2.78Å; T86-Q88 VanDerWaalsContact O-N 3.14Å
89V98.4Very high96.3Very high9 Ų934.4 Ų34.46%0.05519%0.185CC..BIsolated β-bridgetrans-119.1128.9178.8-178.40000109.7L59 L65 I79 C81 T86 N87 L91 V101L59-V89 HydrophobicContact CD1-CG2 4.15Å; L65-V89 HydrophobicContact CB-CG1 4.26Å; L65-V89 HydrophobicContact CB-CG2 4.26Å; L65-V89 HydrophobicContact CD1-CG2 4.3Å; L65-V89 HydrophobicContact CG-CG2 4.4Å; I79-V89 HydrophobicContact CD1-CG1 4Å; I79-V89 HydrophobicContact CG2-CG1 4.48Å; I79-V89 HydrophobicContact CG2-CG2 4.2Å; C81-V89 VanDerWaalsContact SG-CG2 3.57Å; T86-V89 PolarHBondContact O-N 3.31Å; N87-V89 VanDerWaalsContact C-N 3.26Å; N87-V89 PolarHBondContact O-N 3.22Å; V89-L91 VanDerWaalsContact C-N 3.35Å; V89-L91 HydrophobicContact CB-CD2 4.23Å; V89-L91 HydrophobicContact CG1-CD2 4.12Å; V89-L91 PolarHBondContact O-N 3.01Å; V89-V101 HydrophobicContact CG1-CG1 4.37Å; V89-V101 HydrophobicContact CG1-CG2 3.93Å
90D98.3Very high96.3Very high58 Ų5834.4 Ų34.431%0.3119%0.185SC..  trans-71.192.6168.4-170.4-29.7000109.7L65 I70 D92 A93 A94L65-D90 PolarHBondContact O-N 3.25Å; I70-D90 HydrophobicContact CD1-CB 4.18Å; D90-D92 VanDerWaalsContact C-N 3.27Å; D90-D92 PolarHBondContact O-N 3.23Å; D90-D92 PolarHBondContact OD1-N 3.15Å; D90-A93 HydrophobicContact CB-CB 3.92Å; D90-A93 PolarHBondContact O-N 3.25Å; D90-A93 WeakPolarHBondContact OD1-CB 3.4Å; D90-A93 PolarHBondContact OD1-N 3.42Å; D90-A94 WeakPolarHBondContact O-CB 3.36Å; D90-A94 PolarHBondContact O-N 2.76Å
91L98Very high96.3Very high47 Ų4734.4 Ų34.425%0.24619%0.185CC..Hα-helixtrans-62.9-34.1-176-64.1-172.7000112.4V89 A95 V101 V325 N326V89-L91 VanDerWaalsContact C-N 3.35Å; V89-L91 HydrophobicContact CB-CD2 4.23Å; V89-L91 HydrophobicContact CG1-CD2 4.12Å; V89-L91 PolarHBondContact O-N 3.01Å; L91-A95 VanDerWaalsContact O-CB 3.25Å; L91-A95 WeakPolarHBondContact O-CB 3.46Å; L91-A95 PolarHBondContact O-N 3.27Å; L91-V101 HydrophobicContact CD2-CB 3.94Å; L91-V101 HydrophobicContact CD2-CG1 3.9Å; L91-V101 HydrophobicContact CD2-CG2 3.83Å; L91-V325 HydrophobicContact CD1-CG2 4.02Å; L91-V325 HydrophobicContact CD2-CG2 3.69Å; L91-N326 HydrophobicContact CB-CB 3.88Å; L91-N326 HydrophobicContact CD2-CB 4.25Å; L91-N326 HydrophobicContact CG-CB 4.46Å; L91-N326 PolarHBondContact O-ND2 2.99Å
92D97.4Very high96.3Very high110 Ų11034.5 Ų34.559%0.58819%0.185SC*.Hα-helixtrans-74.5-44.6-178.9-73.2-24.9000110.9D90 A94 A95 K96D90-D92 VanDerWaalsContact C-N 3.27Å; D90-D92 PolarHBondContact O-N 3.23Å; D90-D92 PolarHBondContact OD1-N 3.15Å; D92-A94 VanDerWaalsContact C-N 3.32Å; D92-A94 PolarHBondContact O-N 3.29Å; D92-A95 PolarHBondContact O-N 2.99Å; D92-K96 VanDerWaalsContact O-CG 3.28Å; D92-K96 WeakPolarHBondContact O-CG 3.26Å; D92-K96 PolarHBondContact O-N 2.66Å
93A97.8Very high96.3Very high3 Ų335 Ų353%0.02519%0.188CC..Hα-helixtrans-60.9-42173.600000111.6E67 I70 D90 R97E67-A93 HydrophobicContact CB-CB 3.76Å; E67-A93 HydrophobicContact CG-CB 3.84Å; I70-A93 HydrophobicContact CD1-CB 3.99Å; D90-A93 HydrophobicContact CB-CB 3.92Å; D90-A93 PolarHBondContact O-N 3.25Å; D90-A93 WeakPolarHBondContact OD1-CB 3.4Å; D90-A93 PolarHBondContact OD1-N 3.42Å; A93-R97 PolarHBondContact O-N 2.85Å
94A98.1Very high96.4Very high0 Ų034.3 Ų34.30%018%0.184CC..Hα-helixtrans-62.7-45.4174.300000111.8I70 I79 D90 D92 R97 G98 I99 V101I70-A94 HydrophobicContact CD1-CB 4.14Å; I79-A94 HydrophobicContact CD1-CB 4.11Å; D90-A94 WeakPolarHBondContact O-CB 3.36Å; D90-A94 PolarHBondContact O-N 2.76Å; D92-A94 VanDerWaalsContact C-N 3.32Å; D92-A94 PolarHBondContact O-N 3.29Å; A94-R97 PolarHBondContact O-N 3.22Å; A94-G98 PolarHBondContact O-N 3.41Å; A94-I99 HydrophobicContact CB-CB 4.25Å; A94-I99 WeakPolarHBondContact O-CB 3.5Å; A94-I99 PolarHBondContact O-N 3.04Å; A94-V101 HydrophobicContact CB-CG2 3.98Å
95A96.6Very high96.4Very high17 Ų1733.9 Ų33.914%0.1418%0.184CC..Hα-helixtrans-63.6-43.7-179.500000112.3L91 D92 R97 G98 N326 M376L91-A95 VanDerWaalsContact O-CB 3.25Å; L91-A95 WeakPolarHBondContact O-CB 3.46Å; L91-A95 PolarHBondContact O-N 3.27Å; D92-A95 PolarHBondContact O-N 2.99Å; A95-R97 PolarHBondContact O-N 3.31Å; A95-G98 PolarHBondContact O-N 3.19Å; A95-N326 HydrophobicContact CB-CB 4.45Å; A95-N326 PolarHBondContact N-ND2 3.4Å; A95-M376 HydrophobicContact CB-CE 4.2Å
96K95.4Very high96.5Very high126 Ų12637.3 Ų37.355%0.54819%0.189SC..Hα-helixtrans-57.2-30.9176.3-73.5169.8-172.1167.70113.1D92 I404D92-K96 VanDerWaalsContact O-CG 3.28Å; D92-K96 WeakPolarHBondContact O-CG 3.26Å; D92-K96 PolarHBondContact O-N 2.66Å; K96-I404 WeakPolarHBondContact O-CG2 3.33Å
97R96Very high96.4Very high62 Ų6237.3 Ų37.323%0.23419%0.19CC..THydrogen-bonded Turntrans-91.73.8176.6-64-168.971.3-146.50.3113.9I70 A73 A93 A94 A95 I99I70-R97 PolarHBondContact O-NH1 3.33Å; A73-R97 PolarHBondContact O-NH1 3.35Å; A73-R97 PolarHBondContact O-NH2 3.44Å; A93-R97 PolarHBondContact O-N 2.85Å; A94-R97 PolarHBondContact O-N 3.22Å; A95-R97 PolarHBondContact O-N 3.31Å; R97-I99 HydrophobicContact CB-CD1 3.85Å; R97-I99 HydrophobicContact CB-CG1 4.05Å
98G96.3Very high96.4Very high0 Ų030.7 Ų30.70%015%0.154CC..THydrogen-bonded Turntrans70.236.5-179.500000113.3A94 A95 I343A94-G98 PolarHBondContact O-N 3.41Å; A95-G98 PolarHBondContact O-N 3.19Å; G98-I343 WeakPolarHBondContact O-CD1 3.47Å
99I98Very high96.5Very high0 Ų031.1 Ų31.10%016%0.158CC..  trans-110.3104.9-177.2-56.8173.4000108.7I70 L76 I79 A94 R97 N326I70-I99 HydrophobicContact CG2-CD1 4.33Å; L76-I99 HydrophobicContact CB-CD1 4.16Å; L76-I99 HydrophobicContact CD2-CD1 3.99Å; L76-I99 HydrophobicContact CD2-CG2 4.32Å; L76-I99 HydrophobicContact CG-CD1 4.06Å; L76-I99 HydrophobicContact CG-CG2 4.18Å; I79-I99 HydrophobicContact CD1-CG2 3.86Å; I79-I99 HydrophobicContact CG1-CG2 3.88Å; A94-I99 HydrophobicContact CB-CB 4.25Å; A94-I99 WeakPolarHBondContact O-CB 3.5Å; A94-I99 PolarHBondContact O-N 3.04Å; R97-I99 HydrophobicContact CB-CD1 3.85Å; R97-I99 HydrophobicContact CB-CG1 4.05Å; I99-N326 PolarHBondContact O-ND2 3.08Å
100P98.2Very high96.4Very high0 Ų035.9 Ų35.90%018%0.175CC..  trans-68.8143.8173.227.1-34000111.6V77 A78 I79 F102 Y315 A324 N326 F327V77-P100 WeakPolarHBondContact O-CD 3.25Å; A78-P100 WeakPolarHBondContact CA-O 3.49Å; A78-P100 HydrophobicContact CB-CG 3.98Å; I79-P100 PolarHBondContact N-O 3.26Å; P100-F102 HydrophobicContact CB-CE2 3.89Å; P100-F102 HydrophobicContact CB-CZ 3.98Å; P100-F102 HydrophobicContact CG-CE2 3.94Å; P100-F102 HydrophobicContact CG-CZ 4.23Å; P100-Y315 HydrophobicContact CG-CD1 4.01Å; P100-Y315 HydrophobicContact CG-CD2 4.41Å; P100-Y315 HydrophobicContact CG-CE1 3.53Å; P100-Y315 HydrophobicContact CG-CE2 4.01Å; P100-Y315 HydrophobicContact CG-CG 4.42Å; P100-A324 HydrophobicContact CB-CB 3.99Å; P100-N326 WeakPolarHBondContact CA-OD1 3.41Å; P100-F327 HydrophobicContact CB-CB 3.8Å; P100-F327 HydrophobicContact CB-CD1 4.3Å; P100-F327 HydrophobicContact CB-CD2 4.08Å; P100-F327 HydrophobicContact CB-CG 3.8Å
101V98.7Very high96.4Very high0 Ų033.7 Ų33.70%016%0.164CC..EExtended strand (participates in β ladder)trans-112.8128.5176.3-178.10000108.9I79 T86 V89 L91 A94 A324 V325 N326I79-V101 HydrophobicContact CB-CG1 4.41Å; I79-V101 HydrophobicContact CB-CG2 4.08Å; I79-V101 HydrophobicContact CD1-CG2 4.05Å; I79-V101 HydrophobicContact CG2-CG1 4.18Å; I79-V101 WeakPolarHBondContact O-CA 3.38Å; T86-V101 HydrophobicContact CG2-CG1 4.32Å; V89-V101 HydrophobicContact CG1-CG1 4.37Å; V89-V101 HydrophobicContact CG1-CG2 3.93Å; L91-V101 HydrophobicContact CD2-CB 3.94Å; L91-V101 HydrophobicContact CD2-CG1 3.9Å; L91-V101 HydrophobicContact CD2-CG2 3.83Å; A94-V101 HydrophobicContact CB-CG2 3.98Å; V101-A324 CarbonylContact O-C 3.55Å; V101-A324 VanDerWaalsContact O-CA 3.27Å; V101-A324 WeakPolarHBondContact O-CA 3.25Å; V101-V325 HydrophobicContact CB-CG2 3.76Å; V101-V325 HydrophobicContact CG1-CG2 3.83Å; V101-V325 PolarHBondContact O-N 3.48Å; V101-N326 PolarHBondContact N-OD1 2.8Å
102F98.6Very high96.4Very high2 Ų231.8 Ų31.81%0.00915%0.154CC..EExtended strand (participates in β ladder)trans-117.8143.9178.9-59-82.2000111A78 I79 G80 C81 P100 K311 L312 Y315 A324A78-F102 HydrophobicContact CB-CD2 4.5Å; A78-F102 HydrophobicContact CB-CE2 4.13Å; I79-F102 PolarHBondContact O-N 3.44Å; G80-F102 CarbonylContact C-O 3.47Å; C81-F102 PolarHBondContact N-O 3.26Å; P100-F102 HydrophobicContact CB-CE2 3.89Å; P100-F102 HydrophobicContact CB-CZ 3.98Å; P100-F102 HydrophobicContact CG-CE2 3.94Å; P100-F102 HydrophobicContact CG-CZ 4.23Å; F102-K311 HydrophobicContact CB-CB 4.12Å; F102-K311 HydrophobicContact CB-CD 4.08Å; F102-K311 HydrophobicContact CD1-CB 3.92Å; F102-K311 HydrophobicContact CD1-CD 4.05Å; F102-K311 HydrophobicContact CD1-CG 4.36Å; F102-K311 HydrophobicContact CE1-CB 4.47Å; F102-K311 HydrophobicContact CG-CB 3.97Å; F102-K311 HydrophobicContact CG-CD 4.41Å; F102-L312 HydrophobicContact CD2-CD2 3.78Å; F102-L312 HydrophobicContact CE2-CD2 4.36Å; F102-Y315 HydrophobicContact CE2-CD1 4.39Å; F102-Y315 HydrophobicContact CE2-CG 4.23Å; F102-Y315 HydrophobicContact CZ-CG 4.2Å; F102-A324 HydrophobicContact CD1-CB 4.11Å; F102-A324 HydrophobicContact CE1-CB 3.73Å; F102-A324 HydrophobicContact CZ-CB 4.21Å
103N97.8Very high96.5Very high13 Ų1326.5 Ų26.57%0.0713%0.126CC..  trans-135.2-176.7172.364.8-23.1000110.5C81 I84 T86 K311 V325C81-N103 HydrophobicContact CB-CB 4.1Å; C81-N103 WeakPolarHBondContact O-CA 3.24Å; I84-N103 PolarHBondContact O-ND2 2.84Å; T86-N103 HydrophobicContact CG2-CB 3.73Å; N103-K311 PolarHBondContact O-NZ 3.29Å; N103-V325 WeakPolarHBondContact OD1-CG1 3.31Å
104A95.8Very high96.5Very high0 Ų031 Ų310%015%0.147CC..  trans-124.267.8178.100000111.3C83 I84 F106 S107 I304 E307 V308C83-A104 PolarHBondContact O-N 3.49Å; I84-A104 WeakPolarHBondContact CD1-O 3.48Å; A104-F106 PolarHBondContact O-N 3.49Å; A104-S107 PolarHBondContact O-N 3.31Å; A104-I304 HydrophobicContact CB-CB 4.2Å; A104-I304 HydrophobicContact CB-CG1 3.92Å; A104-I304 HydrophobicContact CB-CG2 4.18Å; A104-E307 HydrophobicContact CB-CB 4.05Å; A104-E307 HydrophobicContact CB-CG 4.05Å; A104-E307 VanDerWaalsContact CB-OE2 3.3Å; A104-E307 WeakPolarHBondContact CB-OE2 3.49Å; A104-V308 HydrophobicContact CB-CG2 3.74Å
105P90.7Very high96.5Very high38 Ų3833.2 Ų33.225%0.24716%0.158CC..THydrogen-bonded Turntrans-65.7-16.1-163.626.4-34.4000114.6
106F92.3Very high96.6Very high107 Ų10732.4 Ų32.447%0.46915%0.152SC..THydrogen-bonded Turntrans-115.8-2.8-175.2-49.1-51.5000113.8A104 N108 T109 H161A104-F106 PolarHBondContact O-N 3.49Å; F106-N108 PolarHBondContact O-N 3.32Å; F106-N108 VanDerWaalsContact O-N 3.08Å; F106-T109 VanDerWaalsContact O-CB 3.3Å; F106-T109 WeakPolarHBondContact O-CB 3.35Å; F106-T109 PolarHBondContact O-N 2.7Å; F106-T109 PolarHBondContact O-OG1 3.27Å; F106-H161 HydrophobicContact CD1-CB 4.36Å; F106-H161 AromaticContact CD1-CE1 3.72Å; F106-H161 AromaticContact CD1-CG 3.8Å; F106-H161 AromaticContact CD1-ND1 3.37Å; F106-H161 WeakPolarHBondContact CD1-ND1 3.26Å; F106-H161 AromaticContact CE1-CE1 3.3Å; F106-H161 WeakPolarHBondContact CE1-CE1 3.47Å; F106-H161 AromaticContact CE1-ND1 3.19Å; F106-H161 WeakPolarHBondContact CE1-ND1 3.24Å; F106-H161 AromaticContact CE2-CE1 3.83Å; F106-H161 AromaticContact CZ-CE1 3.36Å; F106-H161 WeakPolarHBondContact CZ-CE1 3.46Å; F106-H161 AromaticContact CZ-ND1 3.78Å
107S93.5Very high96.8Very high18 Ų1827.4 Ų27.413%0.12613%0.131CC..THydrogen-bonded Turntrans-64.1-16.8-174.7-89.10000114.1A104 I304 E307A104-S107 PolarHBondContact O-N 3.31Å; S107-I304 VanDerWaalsContact CB-CG1 3.5Å; S107-I304 PolarHBondContact OG-N 2.8Å; S107-E307 PolarHBondContact OG-OE2 2.81Å
108N94Very high96.9Very high22 Ų2226 Ų2612%0.11814%0.135CC..THydrogen-bonded Turntrans-101.84.7176.972.3-15.4000114.2I84 F106 R110 S111 V112 A300I84-N108 HydrophobicContact CD1-CB 4.01Å; I84-N108 HydrophobicContact CG1-CB 4.48Å; F106-N108 PolarHBondContact O-N 3.32Å; F106-N108 VanDerWaalsContact O-N 3.08Å; N108-R110 VanDerWaalsContact C-N 3.28Å; N108-R110 PolarHBondContact O-N 2.88Å; N108-S111 WeakPolarHBondContact O-CB 3.46Å; N108-S111 PolarHBondContact O-N 3.47Å; N108-V112 PolarHBondContact O-N 3.34Å; N108-V112 VanDerWaalsContact O-N 3.15Å; N108-A300 HydrophobicContact CB-CB 4.03Å
109T96.5Very high97Very high21 Ų2126.2 Ų26.213%0.12914%0.136CC..Hα-helixtrans-52.3-46.4-172.9-64.40000112.2F106 A113 H161 I162 Q165F106-T109 VanDerWaalsContact O-CB 3.3Å; F106-T109 WeakPolarHBondContact O-CB 3.35Å; F106-T109 PolarHBondContact O-N 2.7Å; F106-T109 PolarHBondContact O-OG1 3.27Å; T109-A113 PolarHBondContact O-N 3.06Å; T109-H161 VanDerWaalsContact CG2-C 3.44Å; T109-H161 HydrophobicContact CG2-CB 3.95Å; T109-H161 VanDerWaalsContact CG2-O 3.26Å; T109-H161 WeakPolarHBondContact CG2-O 3.12Å; T109-I162 HydrophobicContact CG2-CG1 4.05Å; T109-Q165 HydrophobicContact CG2-CB 3.98Å; T109-Q165 HydrophobicContact CG2-CG 4.45Å
110R97Very high97.1Very high110 Ų11026.2 Ų26.242%0.41514%0.136SC..Hα-helixtrans-65.1-42.5179.3-177.570.3-176.2-155.6-7.8112N108 V112 A113 E114N108-R110 VanDerWaalsContact C-N 3.28Å; N108-R110 PolarHBondContact O-N 2.88Å; R110-V112 PolarHBondContact O-N 3.22Å; R110-A113 PolarHBondContact O-N 2.7Å; R110-E114 HydrophobicContact CG-CG 4.34Å; R110-E114 IonicContact CZ-OE1 2.6Å; R110-E114 VanDerWaalsContact CZ-OE1 3.3Å; R110-E114 IonicContact NE-OE1 3.49Å; R110-E114 PolarHBondContact NE-OE1 2.9Å; R110-E114 IonicContact NH2-OE1 2.95Å; R110-E114 PolarHBondContact NH2-OE1 3.26Å; R110-E114 WeakPolarHBondContact O-CG 3.16Å; R110-E114 PolarHBondContact O-N 3.46Å
111S97.8Very high97.1Very high11 Ų1129.4 Ų29.48%0.07715%0.152CC..Hα-helixtrans-60.4-45.2-177.7-55.70000111.9N108 A113 E114 L115 G294 T297N108-S111 WeakPolarHBondContact O-CB 3.46Å; N108-S111 PolarHBondContact O-N 3.47Å; S111-A113 PolarHBondContact O-N 3.34Å; S111-E114 PolarHBondContact O-N 2.98Å; S111-L115 PolarHBondContact O-N 3.5Å; S111-G294 CarbonylContact C-O 3.57Å; S111-G294 WeakPolarHBondContact CB-O 3.29Å; S111-T297 WeakPolarHBondContact OG-CG2 3.45Å; S111-T297 PolarHBondContact OG-OG1 3.43Å
112V98.1Very high97.1Very high7 Ų732.9 Ų32.94%0.04217%0.171CC..Hα-helixtrans-64.8-44.5178.4-177.50000110.3N108 R110 E114 L115 V116 I162 A238 G294N108-V112 PolarHBondContact O-N 3.34Å; N108-V112 VanDerWaalsContact O-N 3.15Å; R110-V112 PolarHBondContact O-N 3.22Å; V112-E114 VanDerWaalsContact C-N 3.34Å; V112-E114 PolarHBondContact O-N 3.43Å; V112-L115 PolarHBondContact O-N 3.27Å; V112-V116 WeakPolarHBondContact O-CG2 3.47Å; V112-V116 PolarHBondContact O-N 2.95Å; V112-I162 HydrophobicContact CB-CD1 4.12Å; V112-I162 HydrophobicContact CB-CG1 4.41Å; V112-I162 HydrophobicContact CB-CG2 3.97Å; V112-I162 HydrophobicContact CG1-CD1 4.19Å; V112-I162 HydrophobicContact CG1-CG2 3.75Å; V112-I162 HydrophobicContact CG2-CD1 4.09Å; V112-A238 HydrophobicContact CG1-CB 3.85Å; V112-G294 VanDerWaalsContact CA-O 3.26Å; V112-G294 WeakPolarHBondContact CA-O 3.25Å; V112-G294 WeakPolarHBondContact CG2-O 3.17Å; V112-G294 PolarHBondContact N-O 3.01Å
113A98.5Very high97.1Very high0 Ų033.4 Ų33.40%017%0.173CC..Hα-helixtrans-60.9-42.2178.400000112T109 R110 S111 V116 I117 Q165 L166 L169T109-A113 PolarHBondContact O-N 3.06Å; R110-A113 PolarHBondContact O-N 2.7Å; S111-A113 PolarHBondContact O-N 3.34Å; A113-V116 PolarHBondContact O-N 2.97Å; A113-I117 VanDerWaalsContact O-CG1 3.3Å; A113-I117 WeakPolarHBondContact O-CG1 3.49Å; A113-I117 PolarHBondContact O-N 3.26Å; A113-Q165 HydrophobicContact CB-CB 4.12Å; A113-Q165 HydrophobicContact CB-CG 3.89Å; A113-L166 HydrophobicContact CB-CB 4.21Å; A113-L169 HydrophobicContact CB-CD1 3.93Å
114E98.5Very high97.1Very high97 Ų9733.1 Ų33.145%0.45317%0.172SC..Hα-helixtrans-67.4-39.8177.4-73.8-174.5-177.800112.9R110 S111 V112 I117 G118 L169R110-E114 HydrophobicContact CG-CG 4.34Å; R110-E114 IonicContact CZ-OE1 2.6Å; R110-E114 VanDerWaalsContact CZ-OE1 3.3Å; R110-E114 IonicContact NE-OE1 3.49Å; R110-E114 PolarHBondContact NE-OE1 2.9Å; R110-E114 IonicContact NH2-OE1 2.95Å; R110-E114 PolarHBondContact NH2-OE1 3.26Å; R110-E114 WeakPolarHBondContact O-CG 3.16Å; R110-E114 PolarHBondContact O-N 3.46Å; S111-E114 PolarHBondContact O-N 2.98Å; V112-E114 VanDerWaalsContact C-N 3.34Å; V112-E114 PolarHBondContact O-N 3.43Å; E114-I117 PolarHBondContact O-N 3.34Å; E114-G118 PolarHBondContact O-N 3.23Å; E114-L169 HydrophobicContact CG-CD1 4.01Å
115L98.7Very high97.2Very high47 Ų4740 Ų4025%0.24620%0.198CC..Hα-helixtrans-59.1-49.3174.5-179.464.1000110.6S111 V112 I117 G118 E119 G294S111-L115 PolarHBondContact O-N 3.5Å; V112-L115 PolarHBondContact O-N 3.27Å; L115-I117 VanDerWaalsContact C-N 3.3Å; L115-I117 PolarHBondContact O-N 2.86Å; L115-G118 WeakPolarHBondContact O-CA 3.48Å; L115-G118 PolarHBondContact O-N 3.42Å; L115-E119 HydrophobicContact CD1-CG 4.28Å; L115-E119 HydrophobicContact CG-CG 4.3Å; L115-E119 WeakPolarHBondContact O-CG 3.47Å; L115-E119 PolarHBondContact O-N 2.85Å; L115-G294 VanDerWaalsContact CD2-CA 3.5Å
116V98.8Very high97.5Very high0 Ų039.5 Ų39.50%020%0.2CC..Hα-helixtrans-61.2-38.2179.7171.30000112V112 A113 E119 L120 L166 I236 A238V112-V116 WeakPolarHBondContact O-CG2 3.47Å; V112-V116 PolarHBondContact O-N 2.95Å; A113-V116 PolarHBondContact O-N 2.97Å; V116-E119 PolarHBondContact O-N 2.77Å; V116-L120 WeakPolarHBondContact O-CB 3.31Å; V116-L120 WeakPolarHBondContact O-CG 3.38Å; V116-L120 PolarHBondContact O-N 3.02Å; V116-L166 HydrophobicContact CB-CD1 4.13Å; V116-L166 HydrophobicContact CB-CD2 4.49Å; V116-L166 HydrophobicContact CG1-CD1 3.74Å; V116-L166 HydrophobicContact CG1-CD2 3.71Å; V116-L166 HydrophobicContact CG1-CG 4.4Å; V116-I236 HydrophobicContact CG1-CD1 4.15Å; V116-I236 HydrophobicContact CG1-CG2 4.08Å; V116-I236 HydrophobicContact CG2-CG2 3.99Å; V116-A238 HydrophobicContact CG2-CB 3.91Å
117I98.7Very high97.8Very high21 Ų2137.1 Ų37.111%0.10819%0.194CC..Hα-helixtrans-61.8-44.4172.3-70.9-60.6000111.4A113 E114 L115 L120 L121 L166 L169 A170 L173A113-I117 VanDerWaalsContact O-CG1 3.3Å; A113-I117 WeakPolarHBondContact O-CG1 3.49Å; A113-I117 PolarHBondContact O-N 3.26Å; E114-I117 PolarHBondContact O-N 3.34Å; L115-I117 VanDerWaalsContact C-N 3.3Å; L115-I117 PolarHBondContact O-N 2.86Å; I117-L120 HydrophobicContact CD1-CD2 3.9Å; I117-L120 WeakPolarHBondContact O-CG 3.26Å; I117-L121 HydrophobicContact CG2-CD1 4.01Å; I117-L121 WeakPolarHBondContact O-CB 3.46Å; I117-L121 VanDerWaalsContact O-CG 3.25Å; I117-L121 WeakPolarHBondContact O-CG 3.45Å; I117-L121 PolarHBondContact O-N 3.41Å; I117-L121 VanDerWaalsContact O-N 3.16Å; I117-L166 HydrophobicContact CD1-CD1 3.54Å; I117-L166 HydrophobicContact CG1-CD1 3.79Å; I117-L169 HydrophobicContact CD1-CB 3.99Å; I117-L169 HydrophobicContact CG1-CB 3.84Å; I117-L169 HydrophobicContact CG1-CD1 4.17Å; I117-A170 HydrophobicContact CD1-CB 4.13Å; I117-L173 HydrophobicContact CD1-CD1 3.93Å; I117-L173 HydrophobicContact CG2-CD1 3.67Å
118G98.7Very high97.9Very high31 Ų3137 Ų3732%0.3219%0.193SC..Hα-helixtrans-59.1-50.6175.600000111.7E114 L115 L121 L122E114-G118 PolarHBondContact O-N 3.23Å; L115-G118 WeakPolarHBondContact O-CA 3.48Å; L115-G118 PolarHBondContact O-N 3.42Å; G118-L121 PolarHBondContact O-N 3.3Å; G118-L122 VanDerWaalsContact O-CG 3.31Å; G118-L122 WeakPolarHBondContact O-CG 3.5Å; G118-L122 PolarHBondContact O-N 2.96Å
119E98.8Very high98.1Very high6 Ų639.5 Ų39.53%0.02820%0.204CC..Hα-helixtrans-60.7-47.9-179.6-70.2173.2158.400112.4L115 V116 L121 L122 L123 I236 A262 L288L115-E119 HydrophobicContact CD1-CG 4.28Å; L115-E119 HydrophobicContact CG-CG 4.3Å; L115-E119 WeakPolarHBondContact O-CG 3.47Å; L115-E119 PolarHBondContact O-N 2.85Å; V116-E119 PolarHBondContact O-N 2.77Å; E119-L121 VanDerWaalsContact C-N 3.27Å; E119-L121 PolarHBondContact O-N 3.14Å; E119-L122 PolarHBondContact O-N 2.83Å; E119-L123 WeakPolarHBondContact O-CB 3.31Å; E119-L123 VanDerWaalsContact O-CG 3.28Å; E119-L123 WeakPolarHBondContact O-CG 3.31Å; E119-L123 PolarHBondContact O-N 3.15Å; E119-I236 HydrophobicContact CB-CD1 4.3Å; E119-I236 WeakPolarHBondContact OE2-CG2 3.47Å; E119-A262 HydrophobicContact CB-CB 3.81Å; E119-A262 HydrophobicContact CG-CB 3.95Å; E119-A262 WeakPolarHBondContact OE2-CB 3.47Å; E119-L288 HydrophobicContact CB-CD1 4.1Å; E119-L288 HydrophobicContact CG-CD1 4.02Å
120L98.7Very high98.1Very high0 Ų040.4 Ų40.40%021%0.214CC..Hα-helixtrans-63.3-35.7179.776.782.6000111.7V116 I117 L124 M175 V206 I236V116-L120 WeakPolarHBondContact O-CB 3.31Å; V116-L120 WeakPolarHBondContact O-CG 3.38Å; V116-L120 PolarHBondContact O-N 3.02Å; I117-L120 HydrophobicContact CD1-CD2 3.9Å; I117-L120 WeakPolarHBondContact O-CG 3.26Å; L120-L124 HydrophobicContact CD1-CD1 3.87Å; L120-L124 VanDerWaalsContact O-CB 3.28Å; L120-L124 WeakPolarHBondContact O-CB 3.08Å; L120-L124 WeakPolarHBondContact O-CG 3.31Å; L120-L124 PolarHBondContact O-N 2.75Å; L120-M175 HydrophobicContact CD1-CE 4.37Å; L120-M175 HydrophobicContact CD1-SD 3.9Å; L120-M175 HydrophobicContact CD2-SD 4.31Å; L120-V206 HydrophobicContact CB-CG1 4.13Å; L120-I236 HydrophobicContact CB-CD1 3.61Å
121L98.7Very high98.1Very high66 Ų6639.2 Ų39.235%0.34622%0.216SC..Hα-helixtrans-68-41.6177.4-74.6171.6000111.4I117 G118 E119 R125 A149 L173I117-L121 HydrophobicContact CG2-CD1 4.01Å; I117-L121 WeakPolarHBondContact O-CB 3.46Å; I117-L121 VanDerWaalsContact O-CG 3.25Å; I117-L121 WeakPolarHBondContact O-CG 3.45Å; I117-L121 PolarHBondContact O-N 3.41Å; I117-L121 VanDerWaalsContact O-N 3.16Å; G118-L121 PolarHBondContact O-N 3.3Å; E119-L121 VanDerWaalsContact C-N 3.27Å; E119-L121 PolarHBondContact O-N 3.14Å; L121-R125 WeakPolarHBondContact O-CB 3.47Å; L121-R125 WeakPolarHBondContact O-CG 3.39Å; L121-R125 PolarHBondContact O-N 2.77Å; L121-A149 HydrophobicContact CD2-CB 3.78Å; L121-L173 HydrophobicContact CD1-CD1 4.28Å; L121-L173 HydrophobicContact CD2-CD1 4.41Å; L121-L173 HydrophobicContact CG-CD1 4.48Å
122L98.6Very high98.1Very high74 Ų7439.7 Ų39.739%0.38722%0.22SC..Hα-helixtrans-65.4-43.8176.4-66.1176.9000111.4G118 E119 R125 G126 V127 P128 L288G118-L122 VanDerWaalsContact O-CG 3.31Å; G118-L122 WeakPolarHBondContact O-CG 3.5Å; G118-L122 PolarHBondContact O-N 2.96Å; E119-L122 PolarHBondContact O-N 2.83Å; L122-R125 CarbonylContact O-C 3.56Å; L122-R125 PolarHBondContact O-N 3.37Å; L122-G126 PolarHBondContact O-N 2.86Å; L122-V127 HydrophobicContact CB-CB 4.28Å; L122-V127 HydrophobicContact CD2-CB 4.05Å; L122-V127 HydrophobicContact CD2-CG1 3.95Å; L122-V127 HydrophobicContact CD2-CG2 4.19Å; L122-V127 PolarHBondContact O-N 2.93Å; L122-P128 WeakPolarHBondContact O-CD 3.33Å; L122-L288 HydrophobicContact CB-CD1 4.21Å; L122-L288 HydrophobicContact CD1-CD1 4.24Å
123L98.7Very high98.1Very high12 Ų1241.7 Ų41.76%0.06323%0.228CC..Hα-helixtrans-66.2-46179.2-73.9170.9000112.4E119 R125 G126 P128 L234 I236 A262 L288E119-L123 WeakPolarHBondContact O-CB 3.31Å; E119-L123 VanDerWaalsContact O-CG 3.28Å; E119-L123 WeakPolarHBondContact O-CG 3.31Å; E119-L123 PolarHBondContact O-N 3.15Å; L123-R125 PolarHBondContact O-N 2.87Å; L123-G126 PolarHBondContact O-N 3.17Å; L123-P128 HydrophobicContact CD2-CG 4.15Å; L123-L234 HydrophobicContact CB-CD1 3.5Å; L123-L234 HydrophobicContact CB-CD2 3.88Å; L123-L234 HydrophobicContact CB-CG 4.24Å; L123-L234 HydrophobicContact CD2-CD2 4.46Å; L123-I236 HydrophobicContact CD1-CD1 4.22Å; L123-I236 HydrophobicContact CD1-CG1 4.15Å; L123-A262 HydrophobicContact CD1-CB 3.92Å; L123-L288 HydrophobicContact CG-CD1 4.22Å
124L98.5Very high98Very high7 Ų744.3 Ų44.34%0.03725%0.25CC..Hα-helixtrans-57.7-25176.1-78.9171.4000112.4L120 S146 F147 A149 K152 V206 L234L120-L124 HydrophobicContact CD1-CD1 3.87Å; L120-L124 VanDerWaalsContact O-CB 3.28Å; L120-L124 WeakPolarHBondContact O-CB 3.08Å; L120-L124 WeakPolarHBondContact O-CG 3.31Å; L120-L124 PolarHBondContact O-N 2.75Å; L124-S146 CarbonylContact O-C 3.53Å; L124-S146 WeakPolarHBondContact O-CA 3.47Å; L124-F147 HydrophobicContact CD2-CB 4.4Å; L124-F147 PolarHBondContact O-N 3.15Å; L124-A149 HydrophobicContact CD1-CB 3.81Å; L124-K152 HydrophobicContact CD2-CG 4.46Å; L124-V206 HydrophobicContact CD2-CG2 4.19Å; L124-V206 HydrophobicContact CG-CG2 4.39Å; L124-L234 HydrophobicContact CD2-CD1 3.9Å; L124-L234 HydrophobicContact CG-CD1 3.87Å
125R97.7Very high98Very high144 Ų14447 Ų4754%0.54326%0.262SS..THydrogen-bonded Turntrans-100.14-179-62.9-60.7-60.7-84.5-0.4113.6L121 L122 L123 V127 S146 F147L121-R125 WeakPolarHBondContact O-CB 3.47Å; L121-R125 WeakPolarHBondContact O-CG 3.39Å; L121-R125 PolarHBondContact O-N 2.77Å; L122-R125 CarbonylContact O-C 3.56Å; L122-R125 PolarHBondContact O-N 3.37Å; L123-R125 PolarHBondContact O-N 2.87Å; R125-V127 HydrophobicContact CB-CG2 3.8Å; R125-V127 PolarHBondContact O-N 2.83Å; R125-S146 PolarHBondContact O-OG 3.43Å; R125-F147 WeakPolarHBondContact CD-O 3.34Å
126G97.1Very high98Very high28 Ų2851.3 Ų51.329%0.28928%0.275SS..THydrogen-bonded Turntrans60.622.3-178.800000113.7L122 L123 A130L122-G126 PolarHBondContact O-N 2.86Å; L123-G126 PolarHBondContact O-N 3.17Å; G126-A130 WeakPolarHBondContact O-CB 3.43Å; G126-A130 PolarHBondContact O-N 3.41Å; G126-A130 VanDerWaalsContact O-N 3.16Å
127V97.5Very high97.9Very high58 Ų5854.6 Ų54.635%0.35231%0.309SS..Hα-helixtrans-63.1-43.4-173.81750000112.5L122 R125 E129 A130 N131L122-V127 HydrophobicContact CB-CB 4.28Å; L122-V127 HydrophobicContact CD2-CB 4.05Å; L122-V127 HydrophobicContact CD2-CG1 3.95Å; L122-V127 HydrophobicContact CD2-CG2 4.19Å; L122-V127 PolarHBondContact O-N 2.93Å; R125-V127 HydrophobicContact CB-CG2 3.8Å; R125-V127 PolarHBondContact O-N 2.83Å; V127-E129 VanDerWaalsContact C-N 3.33Å; V127-E129 PolarHBondContact O-N 3.43Å; V127-A130 PolarHBondContact O-N 2.97Å; V127-N131 WeakPolarHBondContact O-CB 3.22Å; V127-N131 PolarHBondContact O-N 2.87Å
128P97.2Very high97.9Very high15 Ų1557.3 Ų57.310%0.09733%0.326CS..Hα-helixtrans-55.2-48-178.4-27.536.5000112.4L122 L123 N131 A132 D285 L288L122-P128 WeakPolarHBondContact O-CD 3.33Å; L123-P128 HydrophobicContact CD2-CG 4.15Å; P128-N131 PolarHBondContact O-N 3.22Å; P128-A132 WeakPolarHBondContact O-CB 3.44Å; P128-A132 PolarHBondContact O-N 2.81Å; P128-D285 CarbonylContact C-O 3.58Å; P128-D285 WeakPolarHBondContact CB-O 3.2Å; P128-L288 HydrophobicContact CB-CD2 4.14Å; P128-L288 HydrophobicContact CB-CG 4.32Å; P128-L288 HydrophobicContact CG-CD1 4.04Å; P128-L288 HydrophobicContact CG-CD2 3.77Å; P128-L288 HydrophobicContact CG-CG 3.68Å
129E96.8Very high97.8Very high74 Ų7466.1 Ų66.135%0.34635%0.35SS..Hα-helixtrans-69.2-44.5-178.6-172-171-179.700111.8V127 N131 A132 K133 D285 N286V127-E129 VanDerWaalsContact C-N 3.33Å; V127-E129 PolarHBondContact O-N 3.43Å; E129-N131 VanDerWaalsContact C-N 3.3Å; E129-N131 PolarHBondContact O-N 3.22Å; E129-A132 PolarHBondContact O-N 2.89Å; E129-K133 HydrophobicContact CG-CD 4.18Å; E129-K133 WeakPolarHBondContact O-CB 3.45Å; E129-K133 WeakPolarHBondContact O-CG 3.18Å; E129-K133 PolarHBondContact O-N 3.21Å; E129-K133 VanDerWaalsContact OE1-CE 3.32Å; E129-K133 WeakPolarHBondContact OE1-CE 3.39Å; E129-K133 IonicContact OE1-NZ 2.61Å; E129-K133 PolarHBondContact OE1-NZ 2.9Å; E129-D285 VanDerWaalsContact CA-O 3.22Å; E129-D285 WeakPolarHBondContact CA-O 3.36Å; E129-D285 HydrophobicContact CB-CB 4.28Å; E129-D285 HydrophobicContact CG-CB 3.94Å; E129-D285 PolarHBondContact N-O 3.32Å; E129-N286 HydrophobicContact CB-CB 4.28Å
130A97.2Very high97.4Very high41 Ų4168.7 Ų68.734%0.33936%0.364SS..Hα-helixtrans-61.7-40.2177.500000111.8G126 V127 A134G126-A130 WeakPolarHBondContact O-CB 3.43Å; G126-A130 PolarHBondContact O-N 3.41Å; G126-A130 VanDerWaalsContact O-N 3.16Å; V127-A130 PolarHBondContact O-N 2.97Å; A130-A134 WeakPolarHBondContact O-CB 3.45Å; A130-A134 PolarHBondContact O-N 3.43Å
131N97.2Very high97.1Very high85 Ų8577 Ų7746%0.45540%0.4SS..Hα-helixtrans-64-50.4176.8-179.272.2000111.3V127 P128 E129 K133 A134 H135V127-N131 WeakPolarHBondContact O-CB 3.22Å; V127-N131 PolarHBondContact O-N 2.87Å; P128-N131 PolarHBondContact O-N 3.22Å; E129-N131 VanDerWaalsContact C-N 3.3Å; E129-N131 PolarHBondContact O-N 3.22Å; N131-K133 VanDerWaalsContact C-N 3.31Å; N131-K133 PolarHBondContact O-N 3.44Å; N131-A134 PolarHBondContact O-N 3.13Å; N131-H135 PolarHBondContact ND2-CD2 2.83Å; N131-H135 PolarHBondContact O-CD2 2.73Å; N131-H135 VanDerWaalsContact O-CD2 3.29Å; N131-H135 PolarHBondContact O-N 3.39Å
132A97Very high96.7Very high21 Ų2179.7 Ų79.717%0.17441%0.414CS..Hα-helixtrans-59.3-42.3178.600000111.8P128 E129 H135 R136 D285P128-A132 WeakPolarHBondContact O-CB 3.44Å; P128-A132 PolarHBondContact O-N 2.81Å; E129-A132 PolarHBondContact O-N 2.89Å; A132-H135 PolarHBondContact O-N 3.01Å; A132-R136 VanDerWaalsContact C-NH2 3.33Å; A132-R136 WeakPolarHBondContact O-CG 3.3Å; A132-R136 PolarHBondContact O-N 3.48Å; A132-R136 PolarHBondContact O-NE 3.27Å; A132-D285 HydrophobicContact CB-CB 4.1Å; A132-D285 VanDerWaalsContact CB-OD1 3.31Å; A132-D285 WeakPolarHBondContact CB-OD1 3.29Å
133K97.4Very high96.4Very high49 Ų4980.1 Ų80.121%0.21343%0.429CS..Hα-helixtrans-63.1-43.7175-78.7174.2174.4171.70112.5E129 N131 R136 G137 V138 N140E129-K133 HydrophobicContact CG-CD 4.18Å; E129-K133 WeakPolarHBondContact O-CB 3.45Å; E129-K133 WeakPolarHBondContact O-CG 3.18Å; E129-K133 PolarHBondContact O-N 3.21Å; E129-K133 VanDerWaalsContact OE1-CE 3.32Å; E129-K133 WeakPolarHBondContact OE1-CE 3.39Å; E129-K133 IonicContact OE1-NZ 2.61Å; E129-K133 PolarHBondContact OE1-NZ 2.9Å; N131-K133 VanDerWaalsContact C-N 3.31Å; N131-K133 PolarHBondContact O-N 3.44Å; K133-R136 CarbonylContact O-C 3.6Å; K133-R136 WeakPolarHBondContact O-CA 3.45Å; K133-R136 PolarHBondContact O-N 2.85Å; K133-G137 PolarHBondContact O-N 3.16Å; K133-V138 CarbonylContact C-O 3.59Å; K133-V138 HydrophobicContact CB-CB 4.08Å; K133-V138 HydrophobicContact CB-CG1 4.4Å; K133-V138 WeakPolarHBondContact O-CB 3.36Å; K133-V138 PolarHBondContact O-N 2.89Å; K133-N140 HydrophobicContact CD-CB 4.07Å
134A97.7Very high96.2Very high54 Ų5483.8 Ų83.845%0.44646%0.461SS..Hα-helixtrans-63.2-42.1178.200000112A130 N131 R136 G137A130-A134 WeakPolarHBondContact O-CB 3.45Å; A130-A134 PolarHBondContact O-N 3.43Å; N131-A134 PolarHBondContact O-N 3.13Å; A134-R136 PolarHBondContact O-N 3.2Å; A134-G137 PolarHBondContact O-N 3.49Å
135H98Very high96Very high155 Ų15586.1 Ų86.172%0.71849%0.486SS*.Hα-helixtrans-59.7-29.2172.4-84.5-74.5000113.1N131 A132 G137N131-H135 PolarHBondContact ND2-CD2 2.83Å; N131-H135 PolarHBondContact O-CD2 2.73Å; N131-H135 VanDerWaalsContact O-CD2 3.29Å; N131-H135 PolarHBondContact O-N 3.39Å; A132-H135 PolarHBondContact O-N 3.01Å; H135-G137 VanDerWaalsContact C-N 3.32Å
136R97.9Very high96Very high136 Ų13681.1 Ų81.151%0.51347%0.474SS..THydrogen-bonded Turntrans-89.612.4174.2-65.5-176.9-66.4-110-6.8113.9A132 K133 A134 V138 D285A132-R136 VanDerWaalsContact C-NH2 3.33Å; A132-R136 WeakPolarHBondContact O-CG 3.3Å; A132-R136 PolarHBondContact O-N 3.48Å; A132-R136 PolarHBondContact O-NE 3.27Å; K133-R136 CarbonylContact O-C 3.6Å; K133-R136 WeakPolarHBondContact O-CA 3.45Å; K133-R136 PolarHBondContact O-N 2.85Å; A134-R136 PolarHBondContact O-N 3.2Å; R136-V138 VanDerWaalsContact C-N 3.33Å; R136-V138 PolarHBondContact O-N 3.07Å; R136-D285 IonicContact CZ-OD1 2.99Å; R136-D285 VanDerWaalsContact CZ-OD1 3.27Å; R136-D285 IonicContact CZ-OD2 3.3Å; R136-D285 IonicContact NH1-OD1 3.27Å; R136-D285 PolarHBondContact NH1-OD1 3.03Å; R136-D285 IonicContact NH1-OD2 3.36Å; R136-D285 PolarHBondContact NH1-OD2 2.57Å; R136-D285 IonicContact NH2-OD1 3.99Å; R136-D285 PolarHBondContact NH2-OD1 2.82Å; R136-D285 IonicContact NH2-OD2 3.56Å; R136-D285 PolarHBondContact NH2-OD2 3.28Å
137G97.8Very high96Very high70 Ų7084.2 Ų84.272%0.72248%0.479SS*.THydrogen-bonded Turntrans77.911.1176.600000115.2K133 A134 H135K133-G137 PolarHBondContact O-N 3.16Å; A134-G137 PolarHBondContact O-N 3.49Å; H135-G137 VanDerWaalsContact C-N 3.32Å
138V98Very high96Very high77 Ų7788.6 Ų88.647%0.46750%0.496SS..  trans-95.5115179.5179.40000110.1K133 R136 N140K133-V138 CarbonylContact C-O 3.59Å; K133-V138 HydrophobicContact CB-CB 4.08Å; K133-V138 HydrophobicContact CB-CG1 4.4Å; K133-V138 WeakPolarHBondContact O-CB 3.36Å; K133-V138 PolarHBondContact O-N 2.89Å; R136-V138 VanDerWaalsContact C-N 3.33Å; R136-V138 PolarHBondContact O-N 3.07Å; V138-N140 PolarHBondContact O-N 3.14Å
139W96.6Very high96.1Very high217 Ų21788.4 Ų88.482%0.82250%0.495SS*.  trans-84.788.5176.4-171.1-104.8000111.8
140N90.7Very high96.2Very high60 Ų6094.4 Ų94.432%0.32152%0.515SS..  trans-10074.7-178.2-172.631.7000112.5K133 V138 L142K133-N140 HydrophobicContact CD-CB 4.07Å; V138-N140 PolarHBondContact O-N 3.14Å; N140-L142 PolarHBondContact O-N 3.23Å; N140-L142 VanDerWaalsContact OD1-CD1 3.22Å; N140-L142 WeakPolarHBondContact OD1-CD1 3.48Å
141K93.2Very high96.2Very high173 Ų17394.3 Ų94.375%0.75252%0.518SS*.  trans-87.787.5179.8-173.6-177.1178.1-178.90111.5
142L89.7Confident96.3Very high123 Ų12392.3 Ų92.364%0.64451%0.505SS*.  trans-128.3148.5178.6-63.8175.8000111.4N140N140-L142 PolarHBondContact O-N 3.23Å; N140-L142 VanDerWaalsContact OD1-CD1 3.22Å; N140-L142 WeakPolarHBondContact OD1-CD1 3.48Å
143A93Very high96.4Very high84 Ų8494.7 Ų94.769%0.69451%0.511SS*.  trans-101.4-13.2171.900000112.9G145 S146A143-G145 PolarHBondContact O-N 3.21Å; A143-S146 WeakPolarHBondContact O-CB 3.32Å; A143-S146 PolarHBondContact O-N 3.01Å; A143-S146 VanDerWaalsContact O-N 3.11Å
144A94.9Very high96.5Very high89 Ų8992.3 Ų92.374%0.73650%0.501SS*.THydrogen-bonded Turntrans-61.2132.1179.400000110.3S146A144-S146 PolarHBondContact O-N 3.2Å
145G93.8Very high96.5Very high55 Ų5589.8 Ų89.857%0.56748%0.48SS*.THydrogen-bonded Turntrans74.44.7-177.200000115.2A143 F147A143-G145 PolarHBondContact O-N 3.21Å; G145-F147 WeakPolarHBondContact O-CD2 3.16Å; G145-F147 VanDerWaalsContact O-CE2 3.32Å; G145-F147 WeakPolarHBondContact O-CE2 3.41Å
146S96.8Very high96.6Very high40 Ų4082.4 Ų82.428%0.2845%0.446SS..  trans-99.8131.2174.9-61.20000111.2L124 R125 A143 A144L124-S146 CarbonylContact O-C 3.53Å; L124-S146 WeakPolarHBondContact O-CA 3.47Å; R125-S146 PolarHBondContact O-OG 3.43Å; A143-S146 WeakPolarHBondContact O-CB 3.32Å; A143-S146 PolarHBondContact O-N 3.01Å; A143-S146 VanDerWaalsContact O-N 3.11Å; A144-S146 PolarHBondContact O-N 3.2Å
147F98Very high96.6Very high93 Ų9376 Ų7641%0.40842%0.422SS..  trans-133.1148.6-173.9-54.7-76.7000112.8L124 R125 G145L124-F147 HydrophobicContact CD2-CB 4.4Å; L124-F147 PolarHBondContact O-N 3.15Å; R125-F147 WeakPolarHBondContact CD-O 3.34Å; G145-F147 WeakPolarHBondContact O-CD2 3.16Å; G145-F147 VanDerWaalsContact O-CE2 3.32Å; G145-F147 WeakPolarHBondContact O-CE2 3.41Å
148E98.2Very high96.6Very high150 Ų15073 Ų7370%0.70139%0.391SS*.  trans-71.9150.2160.9-60.9-178.312500109.9R150 K152E148-R150 VanDerWaalsContact C-N 3.33Å; E148-K152 VanDerWaalsContact O-CG 3.25Å; E148-K152 WeakPolarHBondContact O-CG 3.24Å
149A98.5Very high96.6Very high10 Ų1069.7 Ų69.78%0.08337%0.37CS..SBendtrans-70.7-29.9173.500000112.4L121 L124 G151 K152 M175L121-A149 HydrophobicContact CD2-CB 3.78Å; L124-A149 HydrophobicContact CD1-CB 3.81Å; A149-G151 PolarHBondContact O-N 3.01Å; A149-K152 VanDerWaalsContact O-CB 3.26Å; A149-K152 WeakPolarHBondContact O-CB 3.42Å; A149-K152 WeakPolarHBondContact O-CG 3.33Å; A149-K152 PolarHBondContact O-N 3.41Å; A149-M175 HydrophobicContact CB-CG 4.13Å; A149-M175 HydrophobicContact CB-SD 4.3Å; A149-M175 WeakPolarHBondContact O-CG 3.32Å
150R98.4Very high96.6Very high201 Ų20160.8 Ų60.876%0.75835%0.346SS*.THydrogen-bonded Turntrans-56.3127.1-179.9-173.9178.2-178.3-174.81.4111.1E148 K152E148-R150 VanDerWaalsContact C-N 3.33Å; R150-K152 VanDerWaalsContact C-N 3.25Å; R150-K152 PolarHBondContact O-N 3.02Å
151G98.4Very high96.9Very high39 Ų3963 Ų6340%0.40235%0.354SS..THydrogen-bonded Turntrans78.6-0.9-179.300000115A149 G174A149-G151 PolarHBondContact O-N 3.01Å; G151-G174 PolarHBondContact N-O 3.11Å
152K98.8Very high97.1Very high42 Ų4256.6 Ų56.618%0.18333%0.328CS..PPolyproline II helixtrans-79.1154.9172-61.4-59.8-175.1-177.40111.5L124 E148 A149 R150 M175 Y176 D205L124-K152 HydrophobicContact CD2-CG 4.46Å; E148-K152 VanDerWaalsContact O-CG 3.25Å; E148-K152 WeakPolarHBondContact O-CG 3.24Å; A149-K152 VanDerWaalsContact O-CB 3.26Å; A149-K152 WeakPolarHBondContact O-CB 3.42Å; A149-K152 WeakPolarHBondContact O-CG 3.33Å; A149-K152 PolarHBondContact O-N 3.41Å; R150-K152 VanDerWaalsContact C-N 3.25Å; R150-K152 PolarHBondContact O-N 3.02Å; K152-M175 HydrophobicContact CB-CE 3.93Å; K152-M175 CarbonylContact O-C 3.58Å; K152-M175 WeakPolarHBondContact O-CA 3.47Å; K152-M175 WeakPolarHBondContact O-CB 3.25Å; K152-Y176 PolarHBondContact O-N 2.92Å; K152-D205 WeakPolarHBondContact CA-OD2 3.45Å; K152-D205 HydrophobicContact CB-CB 4.24Å; K152-D205 HydrophobicContact CD-CB 4.23Å; K152-D205 WeakPolarHBondContact CD-OD2 3.39Å
153K98.9Very high97.5Very high71 Ų7150.8 Ų50.831%0.30930%0.297SS..EExtended strand (participates in β ladder)trans-98.3118.1179.6-61.6-176.4172.2-176.90110.5Y176 Y178 M203 D205 V206K153-Y176 WeakPolarHBondContact CA-O 3.39Å; K153-Y178 HydrophobicContact CB-CD2 4.22Å; K153-Y178 HydrophobicContact CB-CE2 4.19Å; K153-Y178 HydrophobicContact CD-CD2 4.49Å; K153-Y178 HydrophobicContact CD-CE2 3.88Å; K153-Y178 HydrophobicContact CG-CD2 4.4Å; K153-Y178 HydrophobicContact CG-CE2 3.86Å; K153-M203 VanDerWaalsContact CD-O 3.25Å; K153-M203 WeakPolarHBondContact CD-O 3.39Å; K153-D205 PolarHBondContact N-OD2 2.73Å; K153-D205 PolarHBondContact O-N 3.35Å; K153-V206 PolarHBondContact O-N 3.02Å
154L98.9Very high97.7Very high0 Ų048.1 Ų48.10%027%0.273CS..EExtended strand (participates in β ladder)trans-94.5120.2170177.263.2000109I156 L166 A170 M175 Y176 Y178 V206L154-I156 HydrophobicContact CD2-CD1 3.96Å; L154-I156 HydrophobicContact CD2-CG1 4.01Å; L154-I156 HydrophobicContact CG-CD1 4.38Å; L154-I156 HydrophobicContact CG-CG1 3.9Å; L154-L166 HydrophobicContact CD2-CD1 4.35Å; L154-L166 HydrophobicContact CD2-CD2 4.16Å; L154-L166 HydrophobicContact CD2-CG 3.96Å; L154-A170 HydrophobicContact CD2-CB 3.42Å; L154-A170 VanDerWaalsContact CD2-CB 3.42Å; L154-M175 HydrophobicContact CB-CE 3.8Å; L154-M175 HydrophobicContact CB-SD 4.3Å; L154-Y176 PolarHBondContact N-O 3.09Å; L154-Y178 PolarHBondContact O-N 3.41Å; L154-Y178 VanDerWaalsContact O-O 3.08Å; L154-V206 HydrophobicContact CD1-CB 3.91Å; L154-V206 HydrophobicContact CD1-CG1 3.86Å
155G98.9Very high97.9Very high0 Ų046.2 Ų46.20%025%0.248CC..EExtended strand (participates in β ladder)trans-96.9119.9169.900000111.1Y178 S204 V206 V207 S208G155-Y178 CarbonylContact C-O 3.48Å; G155-Y178 WeakPolarHBondContact CA-O 3.43Å; G155-S204 VanDerWaalsContact CA-OG 3.25Å; G155-S204 WeakPolarHBondContact CA-OG 3.47Å; G155-S204 PolarHBondContact N-OG 3.4Å; G155-V206 PolarHBondContact N-O 3.21Å; G155-V207 CarbonylContact O-C 3.46Å; G155-V207 VanDerWaalsContact O-CA 3.3Å; G155-V207 WeakPolarHBondContact O-CA 3.4Å; G155-S208 PolarHBondContact O-N 3.09Å
156I98.9Very high98.1Very high0 Ų043.6 Ų43.60%022%0.221CC..EExtended strand (participates in β ladder)trans-106.3121.1179.5-60.3-177.4000109L154 G158 Y159 G163 L166 V177 Y178 F179 Y180L154-I156 HydrophobicContact CD2-CD1 3.96Å; L154-I156 HydrophobicContact CD2-CG1 4.01Å; L154-I156 HydrophobicContact CG-CD1 4.38Å; L154-I156 HydrophobicContact CG-CG1 3.9Å; I156-G158 WeakPolarHBondContact CG2-O 3.44Å; I156-Y159 HydrophobicContact CG2-CD2 4.2Å; I156-G163 VanDerWaalsContact CD1-O 3.26Å; I156-G163 WeakPolarHBondContact CD1-O 3.35Å; I156-L166 HydrophobicContact CD1-CB 4.32Å; I156-L166 HydrophobicContact CD1-CD2 4.09Å; I156-L166 HydrophobicContact CD1-CG 4.09Å; I156-L166 HydrophobicContact CG1-CD2 4.29Å; I156-V177 HydrophobicContact CD1-CG1 3.87Å; I156-V177 HydrophobicContact CG1-CG1 4.5Å; I156-Y178 PolarHBondContact N-O 3.17Å; I156-F179 HydrophobicContact CB-CB 3.94Å; I156-F179 HydrophobicContact CG2-CB 4.49Å; I156-F179 CarbonylContact O-C 3.59Å; I156-F179 WeakPolarHBondContact O-CA 3.23Å; I156-F179 WeakPolarHBondContact O-CB 3.48Å; I156-Y180 PolarHBondContact O-N 2.98Å
157I98.8Very high98.2Very high2 Ų241.8 Ų41.81%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-101.3112174.1-62168.8000107.9Y180 L197 L200 L201 V207 S208 L209 H210 V211 M220 M221I157-Y180 HydrophobicContact CG2-CD1 4.44Å; I157-L197 HydrophobicContact CD1-CD1 3.45Å; I157-L197 VanDerWaalsContact CD1-CD1 3.45Å; I157-L197 HydrophobicContact CG1-CD1 3.79Å; I157-L197 HydrophobicContact CG2-CD1 4.47Å; I157-L200 HydrophobicContact CD1-CD2 4.47Å; I157-L200 HydrophobicContact CG1-CD2 3.63Å; I157-L201 HydrophobicContact CD1-CD2 4.06Å; I157-V207 HydrophobicContact CD1-CG1 3.62Å; I157-V207 HydrophobicContact CG1-CG1 4.27Å; I157-S208 PolarHBondContact N-O 2.98Å; I157-L209 HydrophobicContact CB-CD2 3.94Å; I157-L209 HydrophobicContact CD1-CD2 3.55Å; I157-L209 HydrophobicContact CG1-CD2 4.22Å; I157-L209 HydrophobicContact CG2-CD2 4.46Å; I157-H210 PolarHBondContact O-N 3.19Å; I157-V211 HydrophobicContact CG2-CG1 3.87Å; I157-M220 HydrophobicContact CG2-CE 3.6Å; I157-M220 HydrophobicContact CG2-SD 4.34Å; I157-M221 HydrophobicContact CD1-SD 4.07Å
158G98.2Very high98.2Very high8 Ų840.6 Ų40.68%0.08221%0.206CC..  trans91.4100.1-16900000111.5I156 G160 Y180I156-G158 WeakPolarHBondContact CG2-O 3.44Å; G158-G160 PolarHBondContact O-N 3.18Å; G158-Y180 PolarHBondContact N-O 2.83Å
159Y98Very high98.2Very high6 Ų634.4 Ų34.42%0.02418%0.178CC..  trans-102.753.3-177.3-159-107.4000111I156 T164 F179 D181 K185 L188 A191I156-Y159 HydrophobicContact CG2-CD2 4.2Å; Y159-T164 HydrophobicContact CE1-CG2 4.45Å; Y159-F179 HydrophobicContact CD1-CD1 4.12Å; Y159-F179 AromaticContact CD1-CD2 4Å; Y159-F179 HydrophobicContact CD1-CD2 4Å; Y159-F179 AromaticContact CD1-CE1 3.92Å; Y159-F179 HydrophobicContact CD1-CE1 3.92Å; Y159-F179 AromaticContact CD1-CE2 3.78Å; Y159-F179 HydrophobicContact CD1-CE2 3.78Å; Y159-F179 HydrophobicContact CD1-CG 4.14Å; Y159-F179 AromaticContact CD1-CZ 3.72Å; Y159-F179 HydrophobicContact CD1-CZ 3.72Å; Y159-F179 HydrophobicContact CD2-CB 3.56Å; Y159-F179 AromaticContact CD2-CD1 3.68Å; Y159-F179 HydrophobicContact CD2-CD1 3.68Å; Y159-F179 AromaticContact CD2-CD2 3.97Å; Y159-F179 HydrophobicContact CD2-CD2 3.97Å; Y159-F179 HydrophobicContact CD2-CE1 4.29Å; Y159-F179 AromaticContact CD2-CG 3.47Å; Y159-F179 HydrophobicContact CD2-CG 3.47Å; Y159-F179 VanDerWaalsContact CD2-CG 3.47Å; Y159-F179 HydrophobicContact CE1-CD1 4.16Å; Y159-F179 AromaticContact CE1-CE1 3.82Å; Y159-F179 HydrophobicContact CE1-CE1 3.82Å; Y159-F179 HydrophobicContact CE1-CE2 4.48Å; Y159-F179 AromaticContact CE1-CZ 3.98Å; Y159-F179 HydrophobicContact CE1-CZ 3.98Å; Y159-F179 HydrophobicContact CE2-CB 4.23Å; Y159-F179 AromaticContact CE2-CD1 3.73Å; Y159-F179 HydrophobicContact CE2-CD1 3.73Å; Y159-F179 HydrophobicContact CE2-CE1 4.21Å; Y159-F179 HydrophobicContact CE2-CG 4.02Å; Y159-F179 HydrophobicContact CG-CB 4.01Å; Y159-F179 AromaticContact CG-CD1 3.88Å; Y159-F179 HydrophobicContact CG-CD1 3.88Å; Y159-F179 AromaticContact CG-CD2 3.51Å; Y159-F179 HydrophobicContact CG-CD2 3.51Å; Y159-F179 HydrophobicContact CG-CE1 4.14Å; Y159-F179 AromaticContact CG-CE2 3.8Å; Y159-F179 HydrophobicContact CG-CE2 3.8Å; Y159-F179 AromaticContact CG-CG 3.53Å; Y159-F179 HydrophobicContact CG-CG 3.53Å; Y159-F179 HydrophobicContact CG-CZ 4.09Å; Y159-F179 AromaticContact CZ-CD1 3.97Å; Y159-F179 AromaticContact CZ-CE1 3.97Å; Y159-D181 PolarHBondContact N-OD2 3.36Å; Y159-K185 HydrophobicContact CD1-CB 3.93Å; Y159-K185 HydrophobicContact CD1-CG 4.4Å; Y159-L188 PolarHBondContact OH-N 2.93Å; Y159-A191 HydrophobicContact CE2-CB 4.32Å; Y159-A191 VanDerWaalsContact OH-CB 3.28Å; Y159-A191 WeakPolarHBondContact OH-CB 3.37Å
160G96.5Very high98.2Very high30 Ų3034 Ų3431%0.30917%0.174SC..SBendtrans-87.2-155.2172.400000112.7G158 I162 G163 T164G158-G160 PolarHBondContact O-N 3.18Å; G160-I162 PolarHBondContact O-N 3.4Å; G160-G163 PolarHBondContact O-N 2.69Å; G160-T164 WeakPolarHBondContact O-CB 3.26Å; G160-T164 PolarHBondContact O-N 3.03Å; G160-T164 PolarHBondContact O-OG1 2.97Å
161H95.8Very high98.2Very high107 Ų10727.7 Ų27.750%0.49515%0.153SC..Hα-helixtrans-54.5-49.1-178.7-60.799.1000112.9F106 T109 Q165F106-H161 HydrophobicContact CD1-CB 4.36Å; F106-H161 AromaticContact CD1-CE1 3.72Å; F106-H161 AromaticContact CD1-CG 3.8Å; F106-H161 AromaticContact CD1-ND1 3.37Å; F106-H161 WeakPolarHBondContact CD1-ND1 3.26Å; F106-H161 AromaticContact CE1-CE1 3.3Å; F106-H161 WeakPolarHBondContact CE1-CE1 3.47Å; F106-H161 AromaticContact CE1-ND1 3.19Å; F106-H161 WeakPolarHBondContact CE1-ND1 3.24Å; F106-H161 AromaticContact CE2-CE1 3.83Å; F106-H161 AromaticContact CZ-CE1 3.36Å; F106-H161 WeakPolarHBondContact CZ-CE1 3.46Å; F106-H161 AromaticContact CZ-ND1 3.78Å; T109-H161 VanDerWaalsContact CG2-C 3.44Å; T109-H161 HydrophobicContact CG2-CB 3.95Å; T109-H161 VanDerWaalsContact CG2-O 3.26Å; T109-H161 WeakPolarHBondContact CG2-O 3.12Å; H161-Q165 WeakPolarHBondContact O-CB 3.25Å; H161-Q165 PolarHBondContact O-N 2.98Å
162I97.6Very high98.2Very high39 Ų3930.3 Ų30.320%0.217%0.165CC..Hα-helixtrans-71.2-49.8-179.4-62.2166.6000111T109 V112 G160 T164 Q165 L166 H210T109-I162 HydrophobicContact CG2-CG1 4.05Å; V112-I162 HydrophobicContact CB-CD1 4.12Å; V112-I162 HydrophobicContact CB-CG1 4.41Å; V112-I162 HydrophobicContact CB-CG2 3.97Å; V112-I162 HydrophobicContact CG1-CD1 4.19Å; V112-I162 HydrophobicContact CG1-CG2 3.75Å; V112-I162 HydrophobicContact CG2-CD1 4.09Å; G160-I162 PolarHBondContact O-N 3.4Å; I162-T164 VanDerWaalsContact C-N 3.27Å; I162-T164 PolarHBondContact O-N 2.67Å; I162-Q165 PolarHBondContact O-N 3.06Å; I162-Q165 VanDerWaalsContact O-N 3.14Å; I162-L166 WeakPolarHBondContact O-CB 3.34Å; I162-L166 PolarHBondContact O-N 3.21Å; I162-H210 VanDerWaalsContact CG2-ND1 3.25Å; I162-H210 WeakPolarHBondContact CG2-ND1 3.3Å
163G98.2Very high98.2Very high0 Ų031.3 Ų31.30%017%0.172CC..Hα-helixtrans-58.6-38.8-179.900000112.8I156 G160 G167I156-G163 VanDerWaalsContact CD1-O 3.26Å; I156-G163 WeakPolarHBondContact CD1-O 3.35Å; G160-G163 PolarHBondContact O-N 2.69Å; G163-G167 PolarHBondContact O-N 3.05Å
164T98.1Very high98.1Very high29 Ų2929.4 Ų29.418%0.17817%0.173CC..Hα-helixtrans-64.6-48.2174.8-57.80000111.4Y159 G160 I162 L166 G167 I168 L188Y159-T164 HydrophobicContact CE1-CG2 4.45Å; G160-T164 WeakPolarHBondContact O-CB 3.26Å; G160-T164 PolarHBondContact O-N 3.03Å; G160-T164 PolarHBondContact O-OG1 2.97Å; I162-T164 VanDerWaalsContact C-N 3.27Å; I162-T164 PolarHBondContact O-N 2.67Å; T164-L166 VanDerWaalsContact C-N 3.34Å; T164-L166 PolarHBondContact O-N 3.04Å; T164-G167 PolarHBondContact O-N 3.1Å; T164-G167 VanDerWaalsContact O-N 3.15Å; T164-I168 HydrophobicContact CG2-CD1 4.37Å; T164-I168 PolarHBondContact O-N 3.14Å; T164-L188 HydrophobicContact CG2-CD1 3.37Å; T164-L188 HydrophobicContact CG2-CG 4.12Å
165Q98Very high98.1Very high49 Ų4929.4 Ų29.423%0.22917%0.173CC..Hα-helixtrans-64.3-39.3179.8-172.467.7-1000112.3T109 A113 H161 I162 G167 I168 L169T109-Q165 HydrophobicContact CG2-CB 3.98Å; T109-Q165 HydrophobicContact CG2-CG 4.45Å; A113-Q165 HydrophobicContact CB-CB 4.12Å; A113-Q165 HydrophobicContact CB-CG 3.89Å; H161-Q165 WeakPolarHBondContact O-CB 3.25Å; H161-Q165 PolarHBondContact O-N 2.98Å; I162-Q165 PolarHBondContact O-N 3.06Å; I162-Q165 VanDerWaalsContact O-N 3.14Å; Q165-G167 VanDerWaalsContact C-N 3.34Å; Q165-I168 PolarHBondContact O-N 3.37Å; Q165-L169 WeakPolarHBondContact O-CG 3.3Å; Q165-L169 PolarHBondContact O-N 3.15Å; Q165-L169 VanDerWaalsContact O-N 3.1Å
166L98.7Very high98.1Very high0 Ų035.4 Ų35.40%020%0.196CC..Hα-helixtrans-60.8-44.1172.3174.762.4000111A113 V116 I117 L154 I156 I162 T164 I168 L169 A170 H210A113-L166 HydrophobicContact CB-CB 4.21Å; V116-L166 HydrophobicContact CB-CD1 4.13Å; V116-L166 HydrophobicContact CB-CD2 4.49Å; V116-L166 HydrophobicContact CG1-CD1 3.74Å; V116-L166 HydrophobicContact CG1-CD2 3.71Å; V116-L166 HydrophobicContact CG1-CG 4.4Å; I117-L166 HydrophobicContact CD1-CD1 3.54Å; I117-L166 HydrophobicContact CG1-CD1 3.79Å; L154-L166 HydrophobicContact CD2-CD1 4.35Å; L154-L166 HydrophobicContact CD2-CD2 4.16Å; L154-L166 HydrophobicContact CD2-CG 3.96Å; I156-L166 HydrophobicContact CD1-CB 4.32Å; I156-L166 HydrophobicContact CD1-CD2 4.09Å; I156-L166 HydrophobicContact CD1-CG 4.09Å; I156-L166 HydrophobicContact CG1-CD2 4.29Å; I162-L166 WeakPolarHBondContact O-CB 3.34Å; I162-L166 PolarHBondContact O-N 3.21Å; T164-L166 VanDerWaalsContact C-N 3.34Å; T164-L166 PolarHBondContact O-N 3.04Å; L166-I168 PolarHBondContact O-N 3.23Å; L166-L169 PolarHBondContact O-N 3.33Å; L166-A170 VanDerWaalsContact O-CB 3.29Å; L166-A170 WeakPolarHBondContact O-CB 3.19Å; L166-A170 PolarHBondContact O-N 3.4Å; L166-H210 WeakPolarHBondContact CD2-NE2 3.45Å
167G98.6Very high98.1Very high2 Ų235.4 Ų35.42%0.02120%0.196CC..Hα-helixtrans-57.1-48.3176.600000112.7G163 T164 Q165 L169 A170 E171 V177G163-G167 PolarHBondContact O-N 3.05Å; T164-G167 PolarHBondContact O-N 3.1Å; T164-G167 VanDerWaalsContact O-N 3.15Å; Q165-G167 VanDerWaalsContact C-N 3.34Å; G167-L169 VanDerWaalsContact C-N 3.33Å; G167-L169 PolarHBondContact O-N 3.24Å; G167-A170 PolarHBondContact O-N 2.66Å; G167-E171 WeakPolarHBondContact O-CB 3.47Å; G167-E171 PolarHBondContact O-N 2.95Å; G167-V177 WeakPolarHBondContact O-CG2 3.36Å
168I98.2Very high98.1Very high67 Ų6737.7 Ų37.734%0.34421%0.205SC..Hα-helixtrans-60-43.9177.5-65.4166.2000111.1T164 Q165 L166 S172 L188T164-I168 HydrophobicContact CG2-CD1 4.37Å; T164-I168 PolarHBondContact O-N 3.14Å; Q165-I168 PolarHBondContact O-N 3.37Å; L166-I168 PolarHBondContact O-N 3.23Å; I168-S172 PolarHBondContact O-N 2.97Å; I168-L188 HydrophobicContact CD1-CD1 4.27Å
169L98.5Very high98.2Very high21 Ų2137.3 Ų37.311%0.1120%0.201CC..Hα-helixtrans-65.8-43.6177.7-73.4179.6000112.3A113 E114 I117 Q165 L166 G167 S172 L173A113-L169 HydrophobicContact CB-CD1 3.93Å; E114-L169 HydrophobicContact CG-CD1 4.01Å; I117-L169 HydrophobicContact CD1-CB 3.99Å; I117-L169 HydrophobicContact CG1-CB 3.84Å; I117-L169 HydrophobicContact CG1-CD1 4.17Å; Q165-L169 WeakPolarHBondContact O-CG 3.3Å; Q165-L169 PolarHBondContact O-N 3.15Å; Q165-L169 VanDerWaalsContact O-N 3.1Å; L166-L169 PolarHBondContact O-N 3.33Å; G167-L169 VanDerWaalsContact C-N 3.33Å; G167-L169 PolarHBondContact O-N 3.24Å; L169-S172 WeakPolarHBondContact O-CB 3.34Å; L169-S172 PolarHBondContact O-N 3.08Å; L169-S172 VanDerWaalsContact O-N 3.15Å; L169-S172 PolarHBondContact O-OG 3.33Å; L169-L173 PolarHBondContact O-N 3.34Å
170A98.7Very high98.2Very high0 Ų039.7 Ų39.70%021%0.211CC..Hα-helixtrans-65.8-38.6179.700000112I117 L154 L166 G167 S172 L173 G174 M175 V177I117-A170 HydrophobicContact CD1-CB 4.13Å; L154-A170 HydrophobicContact CD2-CB 3.42Å; L154-A170 VanDerWaalsContact CD2-CB 3.42Å; L166-A170 VanDerWaalsContact O-CB 3.29Å; L166-A170 WeakPolarHBondContact O-CB 3.19Å; L166-A170 PolarHBondContact O-N 3.4Å; G167-A170 PolarHBondContact O-N 2.66Å; A170-S172 VanDerWaalsContact C-N 3.28Å; A170-S172 PolarHBondContact O-N 3.46Å; A170-L173 WeakPolarHBondContact O-CB 3.41Å; A170-L173 PolarHBondContact O-N 2.86Å; A170-L173 VanDerWaalsContact O-N 3.11Å; A170-G174 PolarHBondContact O-N 3.22Å; A170-M175 HydrophobicContact CB-CB 4.24Å; A170-M175 HydrophobicContact CB-CG 4.49Å; A170-M175 HydrophobicContact CB-SD 4.05Å; A170-M175 WeakPolarHBondContact O-CB 3.37Å; A170-M175 PolarHBondContact O-N 3.16Å; A170-M175 VanDerWaalsContact O-N 3.08Å; A170-V177 HydrophobicContact CB-CG2 3.98Å
171E98.3Very high98.3Very high70 Ų7039.4 Ų39.433%0.32720%0.202SC..Hα-helixtrans-57.2-43.2171.2175.9179.1-149.400111.1G167 L173 G174 G189 N190G167-E171 WeakPolarHBondContact O-CB 3.47Å; G167-E171 PolarHBondContact O-N 2.95Å; E171-L173 PolarHBondContact O-N 3.44Å; E171-G174 WeakPolarHBondContact O-CA 3.12Å; E171-G174 PolarHBondContact O-N 2.76Å; E171-G189 VanDerWaalsContact OE2-CA 3.27Å; E171-G189 WeakPolarHBondContact OE2-CA 3.42Å; E171-N190 HydrophobicContact CG-CB 4.36Å; E171-N190 WeakPolarHBondContact OE1-CB 3.11Å; E171-N190 PolarHBondContact OE1-N 3.47Å
172S97.7Very high98.3Very high93 Ų9341 Ų4165%0.6521%0.213SC*.Hα-helixtrans-63.8-21.7178.680.50000113.8I168 L169 A170 G174I168-S172 PolarHBondContact O-N 2.97Å; L169-S172 WeakPolarHBondContact O-CB 3.34Å; L169-S172 PolarHBondContact O-N 3.08Å; L169-S172 VanDerWaalsContact O-N 3.15Å; L169-S172 PolarHBondContact O-OG 3.33Å; A170-S172 VanDerWaalsContact C-N 3.28Å; A170-S172 PolarHBondContact O-N 3.46Å; S172-G174 VanDerWaalsContact C-N 3.31Å
173L97.8Very high98.2Very high63 Ų6344.4 Ų44.433%0.3323%0.228SC..THydrogen-bonded Turntrans-85.2-2.7171.6-60.9175000113.2I117 L121 L169 A170 E171I117-L173 HydrophobicContact CD1-CD1 3.93Å; I117-L173 HydrophobicContact CG2-CD1 3.67Å; L121-L173 HydrophobicContact CD1-CD1 4.28Å; L121-L173 HydrophobicContact CD2-CD1 4.41Å; L121-L173 HydrophobicContact CG-CD1 4.48Å; L169-L173 PolarHBondContact O-N 3.34Å; A170-L173 WeakPolarHBondContact O-CB 3.41Å; A170-L173 PolarHBondContact O-N 2.86Å; A170-L173 VanDerWaalsContact O-N 3.11Å; E171-L173 PolarHBondContact O-N 3.44Å
174G98.4Very high98.1Very high31 Ų3151.4 Ų51.432%0.3227%0.265SS..THydrogen-bonded Turntrans81.820.6-177.300000114.3G151 A170 E171 S172G151-G174 PolarHBondContact N-O 3.11Å; A170-G174 PolarHBondContact O-N 3.22Å; E171-G174 WeakPolarHBondContact O-CA 3.12Å; E171-G174 PolarHBondContact O-N 2.76Å; S172-G174 VanDerWaalsContact C-N 3.31Å
175M98.8Very high98Very high0 Ų052.7 Ų52.70%027%0.268CS..PPolyproline II helixtrans-78.7152.5171.5-59-172.880.200111L120 A149 K152 L154 A170 N190 V206L120-M175 HydrophobicContact CD1-CE 4.37Å; L120-M175 HydrophobicContact CD1-SD 3.9Å; L120-M175 HydrophobicContact CD2-SD 4.31Å; A149-M175 HydrophobicContact CB-CG 4.13Å; A149-M175 HydrophobicContact CB-SD 4.3Å; A149-M175 WeakPolarHBondContact O-CG 3.32Å; K152-M175 HydrophobicContact CB-CE 3.93Å; K152-M175 CarbonylContact O-C 3.58Å; K152-M175 WeakPolarHBondContact O-CA 3.47Å; K152-M175 WeakPolarHBondContact O-CB 3.25Å; L154-M175 HydrophobicContact CB-CE 3.8Å; L154-M175 HydrophobicContact CB-SD 4.3Å; A170-M175 HydrophobicContact CB-CB 4.24Å; A170-M175 HydrophobicContact CB-CG 4.49Å; A170-M175 HydrophobicContact CB-SD 4.05Å; A170-M175 WeakPolarHBondContact O-CB 3.37Å; A170-M175 PolarHBondContact O-N 3.16Å; A170-M175 VanDerWaalsContact O-N 3.08Å; M175-N190 PolarHBondContact O-ND2 2.88Å; M175-V206 HydrophobicContact CE-CG2 4.26Å
176Y98.8Very high97.9Very high126 Ų12657.1 Ų57.149%0.49429%0.293SS..EExtended strand (participates in β ladder)trans-87.8121.6165.4-64.5-72.1000109.2K152 K153 L154K152-Y176 PolarHBondContact O-N 2.92Å; K153-Y176 WeakPolarHBondContact CA-O 3.39Å; L154-Y176 PolarHBondContact N-O 3.09Å
177V98.9Very high97.8Very high0 Ų059.8 Ų59.80%031%0.31CS..EExtended strand (participates in β ladder)trans-96.3126.7-177.2-178.90000110.3I156 G167 A170 N190 A191 T192I156-V177 HydrophobicContact CD1-CG1 3.87Å; I156-V177 HydrophobicContact CG1-CG1 4.5Å; G167-V177 WeakPolarHBondContact O-CG2 3.36Å; A170-V177 HydrophobicContact CB-CG2 3.98Å; V177-N190 WeakPolarHBondContact CB-OD1 3.31Å; V177-N190 WeakPolarHBondContact CG2-OD1 3.13Å; V177-N190 PolarHBondContact N-OD1 3.02Å; V177-A191 HydrophobicContact CB-CB 4.15Å; V177-A191 HydrophobicContact CG1-CB 3.87Å; V177-A191 CarbonylContact O-C 3.57Å; V177-A191 VanDerWaalsContact O-CA 3.29Å; V177-A191 WeakPolarHBondContact O-CA 3.37Å; V177-T192 PolarHBondContact O-N 3.22Å
178Y98.9Very high97.8Very high50 Ų5062.9 Ų62.920%0.19633%0.326CS..EExtended strand (participates in β ladder)trans-124.5147.8171.1-61.9-87.5000108.2K153 L154 G155 I156 T192 V194 M203K153-Y178 HydrophobicContact CB-CD2 4.22Å; K153-Y178 HydrophobicContact CB-CE2 4.19Å; K153-Y178 HydrophobicContact CD-CD2 4.49Å; K153-Y178 HydrophobicContact CD-CE2 3.88Å; K153-Y178 HydrophobicContact CG-CD2 4.4Å; K153-Y178 HydrophobicContact CG-CE2 3.86Å; L154-Y178 PolarHBondContact O-N 3.41Å; L154-Y178 VanDerWaalsContact O-O 3.08Å; G155-Y178 CarbonylContact C-O 3.48Å; G155-Y178 WeakPolarHBondContact CA-O 3.43Å; I156-Y178 PolarHBondContact N-O 3.17Å; Y178-T192 VanDerWaalsContact CA-O 3.3Å; Y178-T192 WeakPolarHBondContact CA-O 3.42Å; Y178-T192 HydrophobicContact CD1-CG2 4.29Å; Y178-T192 HydrophobicContact CE1-CG2 4.38Å; Y178-V194 HydrophobicContact CD1-CG2 4.02Å; Y178-V194 HydrophobicContact CG-CG2 4.42Å; Y178-M203 HydrophobicContact CD1-SD 4.01Å; Y178-M203 HydrophobicContact CD2-SD 4.41Å; Y178-M203 HydrophobicContact CE1-SD 4.28Å; Y178-M203 HydrophobicContact CG-SD 4.08Å
179F98.8Very high97.6Very high0 Ų062.6 Ų62.60%034%0.34CS..EExtended strand (participates in β ladder)trans-142.3153.6177.469.9-92.6000112.9I156 Y159 D181 K185 P187 A191 T192 Q193 V194I156-F179 HydrophobicContact CB-CB 3.94Å; I156-F179 HydrophobicContact CG2-CB 4.49Å; I156-F179 CarbonylContact O-C 3.59Å; I156-F179 WeakPolarHBondContact O-CA 3.23Å; I156-F179 WeakPolarHBondContact O-CB 3.48Å; Y159-F179 HydrophobicContact CD1-CD1 4.12Å; Y159-F179 AromaticContact CD1-CD2 4Å; Y159-F179 HydrophobicContact CD1-CD2 4Å; Y159-F179 AromaticContact CD1-CE1 3.92Å; Y159-F179 HydrophobicContact CD1-CE1 3.92Å; Y159-F179 AromaticContact CD1-CE2 3.78Å; Y159-F179 HydrophobicContact CD1-CE2 3.78Å; Y159-F179 HydrophobicContact CD1-CG 4.14Å; Y159-F179 AromaticContact CD1-CZ 3.72Å; Y159-F179 HydrophobicContact CD1-CZ 3.72Å; Y159-F179 HydrophobicContact CD2-CB 3.56Å; Y159-F179 AromaticContact CD2-CD1 3.68Å; Y159-F179 HydrophobicContact CD2-CD1 3.68Å; Y159-F179 AromaticContact CD2-CD2 3.97Å; Y159-F179 HydrophobicContact CD2-CD2 3.97Å; Y159-F179 HydrophobicContact CD2-CE1 4.29Å; Y159-F179 AromaticContact CD2-CG 3.47Å; Y159-F179 HydrophobicContact CD2-CG 3.47Å; Y159-F179 VanDerWaalsContact CD2-CG 3.47Å; Y159-F179 HydrophobicContact CE1-CD1 4.16Å; Y159-F179 AromaticContact CE1-CE1 3.82Å; Y159-F179 HydrophobicContact CE1-CE1 3.82Å; Y159-F179 HydrophobicContact CE1-CE2 4.48Å; Y159-F179 AromaticContact CE1-CZ 3.98Å; Y159-F179 HydrophobicContact CE1-CZ 3.98Å; Y159-F179 HydrophobicContact CE2-CB 4.23Å; Y159-F179 AromaticContact CE2-CD1 3.73Å; Y159-F179 HydrophobicContact CE2-CD1 3.73Å; Y159-F179 HydrophobicContact CE2-CE1 4.21Å; Y159-F179 HydrophobicContact CE2-CG 4.02Å; Y159-F179 HydrophobicContact CG-CB 4.01Å; Y159-F179 AromaticContact CG-CD1 3.88Å; Y159-F179 HydrophobicContact CG-CD1 3.88Å; Y159-F179 AromaticContact CG-CD2 3.51Å; Y159-F179 HydrophobicContact CG-CD2 3.51Å; Y159-F179 HydrophobicContact CG-CE1 4.14Å; Y159-F179 AromaticContact CG-CE2 3.8Å; Y159-F179 HydrophobicContact CG-CE2 3.8Å; Y159-F179 AromaticContact CG-CG 3.53Å; Y159-F179 HydrophobicContact CG-CG 3.53Å; Y159-F179 HydrophobicContact CG-CZ 4.09Å; Y159-F179 AromaticContact CZ-CD1 3.97Å; Y159-F179 AromaticContact CZ-CE1 3.97Å; F179-D181 HydrophobicContact CD2-CB 4.41Å; F179-K185 HydrophobicContact CE2-CB 3.9Å; F179-K185 HydrophobicContact CE2-CG 4.42Å; F179-K185 HydrophobicContact CZ-CB 4.13Å; F179-P187 HydrophobicContact CE1-CB 4Å; F179-P187 HydrophobicContact CE1-CG 4.24Å; F179-P187 HydrophobicContact CZ-CB 4.39Å; F179-P187 HydrophobicContact CZ-CG 4.21Å; F179-A191 HydrophobicContact CD1-CB 4.08Å; F179-A191 HydrophobicContact CE1-CB 4.1Å; F179-T192 PolarHBondContact N-O 3.21Å; F179-Q193 HydrophobicContact CD2-CB 4.26Å; F179-Q193 HydrophobicContact CD2-CG 4Å; F179-Q193 HydrophobicContact CE1-CB 3.96Å; F179-Q193 HydrophobicContact CE2-CB 3.58Å; F179-Q193 VanDerWaalsContact CE2-CD 3.44Å; F179-Q193 HydrophobicContact CE2-CG 3.45Å; F179-Q193 VanDerWaalsContact CE2-CG 3.45Å; F179-Q193 HydrophobicContact CZ-CB 3.43Å; F179-Q193 VanDerWaalsContact CZ-CB 3.43Å; F179-Q193 HydrophobicContact CZ-CG 3.88Å; F179-Q193 CarbonylContact O-C 3.59Å; F179-Q193 WeakPolarHBondContact O-CA 3.39Å; F179-V194 PolarHBondContact O-N 2.79Å
180Y98.7Very high97.6Very high57 Ų5764 Ų6422%0.22435%0.347CS..EExtended strand (participates in β ladder)trans-119.4132.3168.8173.5-96.8000108.5I156 I157 G158 V194 Q195 L197I156-Y180 PolarHBondContact O-N 2.98Å; I157-Y180 HydrophobicContact CG2-CD1 4.44Å; G158-Y180 PolarHBondContact N-O 2.83Å; Y180-V194 WeakPolarHBondContact CD2-O 3.3Å; Y180-Q195 WeakPolarHBondContact CE2-O 3.28Å; Y180-L197 HydrophobicContact CD1-CB 4.18Å; Y180-L197 HydrophobicContact CD1-CD1 4.07Å; Y180-L197 HydrophobicContact CD2-CB 4.35Å; Y180-L197 HydrophobicContact CE1-CB 4.16Å; Y180-L197 HydrophobicContact CE2-CB 4.34Å; Y180-L197 HydrophobicContact CG-CB 4.27Å; Y180-L197 HydrophobicContact CG-CD1 4.37Å
181D98.3Very high97.6Very high23 Ų2364.4 Ų64.412%0.12335%0.351CS..  trans-144.1149.1173.6-159.9-64.6000108.2Y159 F179 E183 K185Y159-D181 PolarHBondContact N-OD2 3.36Å; F179-D181 HydrophobicContact CD2-CB 4.41Å; D181-E183 PolarHBondContact O-N 3.23Å; D181-E183 PolarHBondContact OD1-N 3.42Å; D181-K185 HydrophobicContact CB-CG 4.02Å; D181-K185 WeakPolarHBondContact OD2-CE 3.02Å
182I96.2Very high97.6Very high141 Ų14164.4 Ų64.472%0.72336%0.355SS*.SBendtrans-70-22.2177.157.5167.2000111.5
183E96Very high97.7Very high111 Ų11161.5 Ų61.552%0.51933%0.331SS..SBendtrans-99.7151.7173.5-68175.7-175.100110.8D181 K185 Q193D181-E183 PolarHBondContact O-N 3.23Å; D181-E183 PolarHBondContact OD1-N 3.42Å; E183-K185 HydrophobicContact CB-CD 4.31Å; E183-K185 PolarHBondContact O-N 3.49Å; E183-K185 IonicContact OE2-NZ 2.7Å; E183-K185 PolarHBondContact OE2-NZ 3.08Å; E183-Q193 PolarHBondContact O-NE2 2.9Å
184N95.5Very high97.7Very high146 Ų14659.1 Ų59.178%0.78132%0.32SS*.  trans-72.6114.4166.7-168.627.8000108.7Q193N184-Q193 PolarHBondContact OD1-OE1 3.2Å
185K96.1Very high97.6Very high57 Ų5763.9 Ų63.925%0.24833%0.334CS..  trans-107.9146.9-178.5-60.6-65.3-165.6-172.70109.5Y159 F179 D181 E183 P187 Q193Y159-K185 HydrophobicContact CD1-CB 3.93Å; Y159-K185 HydrophobicContact CD1-CG 4.4Å; F179-K185 HydrophobicContact CE2-CB 3.9Å; F179-K185 HydrophobicContact CE2-CG 4.42Å; F179-K185 HydrophobicContact CZ-CB 4.13Å; D181-K185 HydrophobicContact CB-CG 4.02Å; D181-K185 WeakPolarHBondContact OD2-CE 3.02Å; E183-K185 HydrophobicContact CB-CD 4.31Å; E183-K185 PolarHBondContact O-N 3.49Å; E183-K185 IonicContact OE2-NZ 2.7Å; E183-K185 PolarHBondContact OE2-NZ 3.08Å; K185-P187 WeakPolarHBondContact O-CD 3.37Å; K185-Q193 PolarHBondContact O-OE1 3.43Å
186L96.4Very high97.6Very high141 Ų14169.3 Ų69.374%0.73836%0.359SS*.  trans-66.4116.9170.917965.9000109.2L188L186-L188 HydrophobicContact CD2-CD2 4.2Å; L186-L188 HydrophobicContact CG-CD2 4.28Å
187P96.9Very high97.5Very high57 Ų5765 Ų6537%0.3734%0.344SS..  trans-69.4136175.2-16.131.9000110.5F179 K185 A191F179-P187 HydrophobicContact CE1-CB 4Å; F179-P187 HydrophobicContact CE1-CG 4.24Å; F179-P187 HydrophobicContact CZ-CB 4.39Å; F179-P187 HydrophobicContact CZ-CG 4.21Å; K185-P187 WeakPolarHBondContact O-CD 3.37Å; P187-A191 HydrophobicContact CB-CB 4.38Å; P187-A191 WeakPolarHBondContact CB-O 3.47Å
188L97.1Very high97.5Very high67 Ų6767.2 Ų67.235%0.35136%0.36SS..  trans-109.3144.2174.2-58.3-171.1000110.8Y159 T164 I168 L186 N190 A191Y159-L188 PolarHBondContact OH-N 2.93Å; T164-L188 HydrophobicContact CG2-CD1 3.37Å; T164-L188 HydrophobicContact CG2-CG 4.12Å; I168-L188 HydrophobicContact CD1-CD1 4.27Å; L186-L188 HydrophobicContact CD2-CD2 4.2Å; L186-L188 HydrophobicContact CG-CD2 4.28Å; L188-N190 PolarHBondContact O-N 3.28Å; L188-A191 WeakPolarHBondContact O-CB 3.33Å; L188-A191 PolarHBondContact O-N 2.7Å; L188-A191 VanDerWaalsContact O-N 3.13Å
189G95.9Very high97.5Very high61 Ų6168.2 Ų68.263%0.62937%0.368SS*.THydrogen-bonded Turntrans62.6-133.5-179.900000111.9E171 A191E171-G189 VanDerWaalsContact OE2-CA 3.27Å; E171-G189 WeakPolarHBondContact OE2-CA 3.42Å; G189-A191 VanDerWaalsContact C-N 3.28Å; G189-A191 PolarHBondContact O-N 2.72Å
190N97.8Very high97.5Very high51 Ų5168.2 Ų68.227%0.27337%0.368SS..THydrogen-bonded Turntrans-84.55.7175.179.5-2.6000114.7E171 M175 V177 L188E171-N190 HydrophobicContact CG-CB 4.36Å; E171-N190 WeakPolarHBondContact OE1-CB 3.11Å; E171-N190 PolarHBondContact OE1-N 3.47Å; M175-N190 PolarHBondContact O-ND2 2.88Å; V177-N190 WeakPolarHBondContact CB-OD1 3.31Å; V177-N190 WeakPolarHBondContact CG2-OD1 3.13Å; V177-N190 PolarHBondContact N-OD1 3.02Å; L188-N190 PolarHBondContact O-N 3.28Å
191A98.5Very high97.5Very high8 Ų865.6 Ų65.67%0.06636%0.358CS..  trans-63.1140-17700000111.8Y159 V177 F179 P187 L188 G189Y159-A191 HydrophobicContact CE2-CB 4.32Å; Y159-A191 VanDerWaalsContact OH-CB 3.28Å; Y159-A191 WeakPolarHBondContact OH-CB 3.37Å; V177-A191 HydrophobicContact CB-CB 4.15Å; V177-A191 HydrophobicContact CG1-CB 3.87Å; V177-A191 CarbonylContact O-C 3.57Å; V177-A191 VanDerWaalsContact O-CA 3.29Å; V177-A191 WeakPolarHBondContact O-CA 3.37Å; F179-A191 HydrophobicContact CD1-CB 4.08Å; F179-A191 HydrophobicContact CE1-CB 4.1Å; P187-A191 HydrophobicContact CB-CB 4.38Å; P187-A191 WeakPolarHBondContact CB-O 3.47Å; L188-A191 WeakPolarHBondContact O-CB 3.33Å; L188-A191 PolarHBondContact O-N 2.7Å; L188-A191 VanDerWaalsContact O-N 3.13Å; G189-A191 VanDerWaalsContact C-N 3.28Å; G189-A191 PolarHBondContact O-N 2.72Å
192T98.6Very high97.5Very high70 Ų7068.7 Ų68.743%0.42937%0.374SS..EExtended strand (participates in β ladder)trans-126.9125.4176.1-59.90000110.6V177 Y178 F179V177-T192 PolarHBondContact O-N 3.22Å; Y178-T192 VanDerWaalsContact CA-O 3.3Å; Y178-T192 WeakPolarHBondContact CA-O 3.42Å; Y178-T192 HydrophobicContact CD1-CG2 4.29Å; Y178-T192 HydrophobicContact CE1-CG2 4.38Å; F179-T192 PolarHBondContact N-O 3.21Å
193Q98.5Very high97.6Very high31 Ų3164.7 Ų64.715%0.14535%0.354CS..EExtended strand (participates in β ladder)trans-72.3129.7174.1-169157.8-6.200110.7F179 E183 N184 K185F179-Q193 HydrophobicContact CD2-CB 4.26Å; F179-Q193 HydrophobicContact CD2-CG 4Å; F179-Q193 HydrophobicContact CE1-CB 3.96Å; F179-Q193 HydrophobicContact CE2-CB 3.58Å; F179-Q193 VanDerWaalsContact CE2-CD 3.44Å; F179-Q193 HydrophobicContact CE2-CG 3.45Å; F179-Q193 VanDerWaalsContact CE2-CG 3.45Å; F179-Q193 HydrophobicContact CZ-CB 3.43Å; F179-Q193 VanDerWaalsContact CZ-CB 3.43Å; F179-Q193 HydrophobicContact CZ-CG 3.88Å; F179-Q193 CarbonylContact O-C 3.59Å; F179-Q193 WeakPolarHBondContact O-CA 3.39Å; E183-Q193 PolarHBondContact O-NE2 2.9Å; N184-Q193 PolarHBondContact OD1-OE1 3.2Å; K185-Q193 PolarHBondContact O-OE1 3.43Å
194V98.4Very high97.8Very high14 Ų1459.4 Ų59.49%0.08533%0.329CS..  trans-104132.8174.6-177.80000108.6Y178 F179 Y180 H196 D199 L200 M203Y178-V194 HydrophobicContact CD1-CG2 4.02Å; Y178-V194 HydrophobicContact CG-CG2 4.42Å; F179-V194 PolarHBondContact O-N 2.79Å; Y180-V194 WeakPolarHBondContact CD2-O 3.3Å; V194-H196 WeakPolarHBondContact CG1-O 3.04Å; V194-D199 HydrophobicContact CG1-CB 3.66Å; V194-L200 HydrophobicContact CB-CB 4.36Å; V194-L200 HydrophobicContact CB-CD1 4.22Å; V194-L200 HydrophobicContact CG1-CB 4.22Å; V194-L200 HydrophobicContact CG2-CD1 3.86Å; V194-M203 HydrophobicContact CG1-CE 4.18Å; V194-M203 HydrophobicContact CG2-CE 4.2Å; V194-M203 HydrophobicContact CG2-SD 4.39Å
195Q96.8Very high97.9Very high131 Ų13153.5 Ų53.561%0.61230%0.297SS*.SBendtrans-77.8-29.7-171.2-63.2-59.8-4900113.6Y180Y180-Q195 WeakPolarHBondContact CE2-O 3.28Å
196H97.9Very high98.1Very high114 Ų11450.8 Ų50.853%0.52829%0.286SS..  trans-120.5132-178.9-57.8-59.8000110.8V194 S198 D199 L200V194-H196 WeakPolarHBondContact CG1-O 3.04Å; H196-S198 PolarHBondContact O-N 2.66Å; H196-D199 HydrophobicContact CB-CB 4.49Å; H196-D199 IonicContact CD2-OD2 2.73Å; H196-D199 IonicContact CG-OD2 3.74Å; H196-D199 PolarHBondContact O-N 3.23Å; H196-L200 PolarHBondContact O-N 2.76Å
197L98.4Very high98.2Very high35 Ų3544.1 Ų44.118%0.18325%0.25CS..Hα-helixtrans-54.8-40.7177176.760.2000111.7I157 Y180 D199 L200 L201 M220I157-L197 HydrophobicContact CD1-CD1 3.45Å; I157-L197 VanDerWaalsContact CD1-CD1 3.45Å; I157-L197 HydrophobicContact CG1-CD1 3.79Å; I157-L197 HydrophobicContact CG2-CD1 4.47Å; Y180-L197 HydrophobicContact CD1-CB 4.18Å; Y180-L197 HydrophobicContact CD1-CD1 4.07Å; Y180-L197 HydrophobicContact CD2-CB 4.35Å; Y180-L197 HydrophobicContact CE1-CB 4.16Å; Y180-L197 HydrophobicContact CE2-CB 4.34Å; Y180-L197 HydrophobicContact CG-CB 4.27Å; Y180-L197 HydrophobicContact CG-CD1 4.37Å; L197-D199 VanDerWaalsContact C-N 3.28Å; L197-D199 PolarHBondContact O-N 3.31Å; L197-L200 WeakPolarHBondContact O-CB 3.35Å; L197-L200 PolarHBondContact O-N 3.15Å; L197-L201 HydrophobicContact CD1-CD1 4.18Å; L197-L201 HydrophobicContact CD1-CD2 4.46Å; L197-L201 HydrophobicContact CD1-CG 4.11Å; L197-L201 HydrophobicContact CG-CD1 3.9Å; L197-L201 HydrophobicContact CG-CG 4.3Å; L197-L201 VanDerWaalsContact O-CG 3.29Å; L197-L201 WeakPolarHBondContact O-CG 3.43Å; L197-L201 PolarHBondContact O-N 3Å; L197-M220 HydrophobicContact CD2-CE 3.97Å
198S98.4Very high98.3Very high47 Ų4741.4 Ų41.433%0.32923%0.233SC..Hα-helixtrans-56.3-41.1176.6530000112.8H196 L201 N202H196-S198 PolarHBondContact O-N 2.66Å; S198-L201 PolarHBondContact O-N 3.15Å; S198-N202 WeakPolarHBondContact O-CB 3.36Å; S198-N202 PolarHBondContact O-N 2.84Å; S198-N202 PolarHBondContact O-ND2 2.59Å
199D98.6Very high98.4Very high71 Ų7138.2 Ų38.238%0.3822%0.216SC..Hα-helixtrans-68.8-40.9-177.9-61.5-15.5000110.1V194 H196 L197 N202 M203V194-D199 HydrophobicContact CG1-CB 3.66Å; H196-D199 HydrophobicContact CB-CB 4.49Å; H196-D199 IonicContact CD2-OD2 2.73Å; H196-D199 IonicContact CG-OD2 3.74Å; H196-D199 PolarHBondContact O-N 3.23Å; L197-D199 VanDerWaalsContact C-N 3.28Å; L197-D199 PolarHBondContact O-N 3.31Å; D199-N202 PolarHBondContact O-N 3.09Å; D199-M203 HydrophobicContact CB-CE 4Å; D199-M203 WeakPolarHBondContact O-CE 3.41Å; D199-M203 VanDerWaalsContact O-CG 3.3Å; D199-M203 WeakPolarHBondContact O-CG 3.14Å; D199-M203 PolarHBondContact O-N 3.21Å
200L98.8Very high98.5Very high0 Ų036.4 Ų36.40%019%0.191CC..Hα-helixtrans-59.8-48.2175.5-172.175.9000110.8I157 V194 H196 L197 M203 S204I157-L200 HydrophobicContact CD1-CD2 4.47Å; I157-L200 HydrophobicContact CG1-CD2 3.63Å; V194-L200 HydrophobicContact CB-CB 4.36Å; V194-L200 HydrophobicContact CB-CD1 4.22Å; V194-L200 HydrophobicContact CG1-CB 4.22Å; V194-L200 HydrophobicContact CG2-CD1 3.86Å; H196-L200 PolarHBondContact O-N 2.76Å; L197-L200 WeakPolarHBondContact O-CB 3.35Å; L197-L200 PolarHBondContact O-N 3.15Å; L200-M203 PolarHBondContact O-N 3.47Å; L200-S204 VanDerWaalsContact O-CB 3.32Å; L200-S204 WeakPolarHBondContact O-CB 3.37Å; L200-S204 PolarHBondContact O-N 2.84Å; L200-S204 PolarHBondContact O-OG 2.93Å
201L98.9Very high98.5Very high1 Ų134.9 Ų34.91%0.00518%0.184CC..Hα-helixtrans-62-45.8-179.7-65.7171.8000111.8I157 L197 S198 M203 V207 M221 E225 L228 M229I157-L201 HydrophobicContact CD1-CD2 4.06Å; L197-L201 HydrophobicContact CD1-CD1 4.18Å; L197-L201 HydrophobicContact CD1-CD2 4.46Å; L197-L201 HydrophobicContact CD1-CG 4.11Å; L197-L201 HydrophobicContact CG-CD1 3.9Å; L197-L201 HydrophobicContact CG-CG 4.3Å; L197-L201 VanDerWaalsContact O-CG 3.29Å; L197-L201 WeakPolarHBondContact O-CG 3.43Å; L197-L201 PolarHBondContact O-N 3Å; S198-L201 PolarHBondContact O-N 3.15Å; L201-M203 VanDerWaalsContact C-N 3.28Å; L201-M203 PolarHBondContact O-N 3.11Å; L201-V207 HydrophobicContact CD2-CG1 4.07Å; L201-V207 HydrophobicContact CD2-CG2 4.06Å; L201-M221 HydrophobicContact CD1-CE 4.49Å; L201-M221 HydrophobicContact CD2-CE 3.68Å; L201-M221 HydrophobicContact CD2-SD 4.14Å; L201-E225 HydrophobicContact CD1-CB 3.93Å; L201-E225 HydrophobicContact CD1-CG 4.31Å; L201-L228 CarbonylContact C-O 3.57Å; L201-L228 HydrophobicContact CB-CB 4.19Å; L201-L228 HydrophobicContact CD1-CB 4.37Å; L201-M229 HydrophobicContact CB-CG 4.35Å; L201-M229 HydrophobicContact CD2-CG 3.94Å
202N98.6Very high98.3Very high88 Ų8838.4 Ų38.447%0.47121%0.206SC..Hα-helixtrans-63.4-31.8-179-83.1-72.5000113.4S198 D199 L228S198-N202 WeakPolarHBondContact O-CB 3.36Å; S198-N202 PolarHBondContact O-N 2.84Å; S198-N202 PolarHBondContact O-ND2 2.59Å; D199-N202 PolarHBondContact O-N 3.09Å; N202-L228 VanDerWaalsContact CA-O 3.24Å; N202-L228 WeakPolarHBondContact CA-O 3.26Å; N202-L228 PolarHBondContact N-O 3.34Å; N202-L228 PolarHBondContact OD1-O 3.12Å
203M98.5Very high98Very high58 Ų5840.7 Ų40.729%0.28621%0.212SC..Hα-helixtrans-95.8-17.6-173.676.317776.600114.8K153 Y178 V194 D199 L200 L201K153-M203 VanDerWaalsContact CD-O 3.25Å; K153-M203 WeakPolarHBondContact CD-O 3.39Å; Y178-M203 HydrophobicContact CD1-SD 4.01Å; Y178-M203 HydrophobicContact CD2-SD 4.41Å; Y178-M203 HydrophobicContact CE1-SD 4.28Å; Y178-M203 HydrophobicContact CG-SD 4.08Å; V194-M203 HydrophobicContact CG1-CE 4.18Å; V194-M203 HydrophobicContact CG2-CE 4.2Å; V194-M203 HydrophobicContact CG2-SD 4.39Å; D199-M203 HydrophobicContact CB-CE 4Å; D199-M203 WeakPolarHBondContact O-CE 3.41Å; D199-M203 VanDerWaalsContact O-CG 3.3Å; D199-M203 WeakPolarHBondContact O-CG 3.14Å; D199-M203 PolarHBondContact O-N 3.21Å; L200-M203 PolarHBondContact O-N 3.47Å; L201-M203 VanDerWaalsContact C-N 3.28Å; L201-M203 PolarHBondContact O-N 3.11Å
204S98.9Very high97.8Very high0 Ų042 Ų420%022%0.22CC..  trans-83.6136.8-169.7-61.60000112.3G155 L200G155-S204 VanDerWaalsContact CA-OG 3.25Å; G155-S204 WeakPolarHBondContact CA-OG 3.47Å; G155-S204 PolarHBondContact N-OG 3.4Å; L200-S204 VanDerWaalsContact O-CB 3.32Å; L200-S204 WeakPolarHBondContact O-CB 3.37Å; L200-S204 PolarHBondContact O-N 2.84Å; L200-S204 PolarHBondContact O-OG 2.93Å
205D98.9Very high97.7Very high22 Ų2247.5 Ų47.512%0.11826%0.256CS..SBendtrans-82.1-29.5169.2-61.5-65.2000110.8K152 K153 K230 S233 L234K152-D205 WeakPolarHBondContact CA-OD2 3.45Å; K152-D205 HydrophobicContact CB-CB 4.24Å; K152-D205 HydrophobicContact CD-CB 4.23Å; K152-D205 WeakPolarHBondContact CD-OD2 3.39Å; K153-D205 PolarHBondContact N-OD2 2.73Å; K153-D205 PolarHBondContact O-N 3.35Å; D205-K230 IonicContact OD1-NZ 2.7Å; D205-K230 PolarHBondContact OD1-NZ 2.8Å; D205-S233 VanDerWaalsContact O-CA 3.24Å; D205-S233 WeakPolarHBondContact O-CA 3.37Å; D205-S233 VanDerWaalsContact O-CB 3.28Å; D205-S233 WeakPolarHBondContact O-CB 3.44Å; D205-L234 PolarHBondContact O-N 2.95Å
206V98.9Very high97.7Very high0 Ų045.6 Ų45.60%026%0.257CS..EExtended strand (participates in β ladder)trans-133.2131.2175.2-174.10000108.2L120 L124 K153 L154 G155 M175 L234 I236L120-V206 HydrophobicContact CB-CG1 4.13Å; L124-V206 HydrophobicContact CD2-CG2 4.19Å; L124-V206 HydrophobicContact CG-CG2 4.39Å; K153-V206 PolarHBondContact O-N 3.02Å; L154-V206 HydrophobicContact CD1-CB 3.91Å; L154-V206 HydrophobicContact CD1-CG1 3.86Å; G155-V206 PolarHBondContact N-O 3.21Å; M175-V206 HydrophobicContact CE-CG2 4.26Å; V206-L234 HydrophobicContact CG1-CB 4.23Å; V206-L234 HydrophobicContact CG2-CB 4.3Å; V206-L234 HydrophobicContact CG2-CD1 4Å; V206-I236 HydrophobicContact CG1-CD1 4.01Å; V206-I236 HydrophobicContact CG1-CG1 4.43Å
207V98.9Very high97.7Very high0 Ų040.6 Ų40.60%024%0.235CC..EExtended strand (participates in β ladder)trans-113.4126.1172.6176.20000108.9G155 I157 L201 L209 M229 L234 L235 I236G155-V207 CarbonylContact O-C 3.46Å; G155-V207 VanDerWaalsContact O-CA 3.3Å; G155-V207 WeakPolarHBondContact O-CA 3.4Å; I157-V207 HydrophobicContact CD1-CG1 3.62Å; I157-V207 HydrophobicContact CG1-CG1 4.27Å; L201-V207 HydrophobicContact CD2-CG1 4.07Å; L201-V207 HydrophobicContact CD2-CG2 4.06Å; V207-L209 HydrophobicContact CG1-CD2 4.17Å; V207-M229 HydrophobicContact CB-CE 3.8Å; V207-M229 HydrophobicContact CG2-CE 3.72Å; V207-L234 PolarHBondContact N-O 2.91Å; V207-L235 HydrophobicContact CB-CD1 4.15Å; V207-L235 HydrophobicContact CG1-CD1 4.03Å; V207-I236 PolarHBondContact O-N 2.94Å
208S98.9Very high97.7Very high0 Ų045.6 Ų45.60%026%0.255CS..EExtended strand (participates in β ladder)trans-119.4133.8176.5-167.30000111.5G155 I157 H210 I236G155-S208 PolarHBondContact O-N 3.09Å; I157-S208 PolarHBondContact N-O 2.98Å; S208-H210 PolarHBondContact OG-NE2 3.48Å; S208-I236 WeakPolarHBondContact CA-O 3.38Å
209L98.9Very high97.7Very high0 Ų046.9 Ų46.90%026%0.258CS..EExtended strand (participates in β ladder)trans-101.3127.9-175.5-50.4178.3000111I157 V207 M221 L235 I236 N237 S239 V243 V244I157-L209 HydrophobicContact CB-CD2 3.94Å; I157-L209 HydrophobicContact CD1-CD2 3.55Å; I157-L209 HydrophobicContact CG1-CD2 4.22Å; I157-L209 HydrophobicContact CG2-CD2 4.46Å; V207-L209 HydrophobicContact CG1-CD2 4.17Å; L209-M221 HydrophobicContact CD1-CG 3.76Å; L209-M221 HydrophobicContact CD2-CG 3.88Å; L209-M221 HydrophobicContact CD2-SD 4.32Å; L209-M221 HydrophobicContact CG-CG 4.48Å; L209-L235 HydrophobicContact CD1-CD1 4.23Å; L209-L235 HydrophobicContact CD2-CD1 4.41Å; L209-L235 HydrophobicContact CG-CD1 4.26Å; L209-I236 PolarHBondContact N-O 3.33Å; L209-N237 HydrophobicContact CD1-CB 4.02Å; L209-S239 WeakPolarHBondContact O-CB 3.22Å; L209-V243 HydrophobicContact CB-CG1 4.48Å; L209-V243 HydrophobicContact CD1-CG1 3.73Å; L209-V244 HydrophobicContact CD1-CG2 3.4Å; L209-V244 VanDerWaalsContact CD1-CG2 3.4Å
210H98.2Very high97.7Very high23 Ų2345 Ų4511%0.10625%0.247CC..  trans-14139.8-178.4-62.6-68.2000112.2I157 I162 L166 S208I157-H210 PolarHBondContact O-N 3.19Å; I162-H210 VanDerWaalsContact CG2-ND1 3.25Å; I162-H210 WeakPolarHBondContact CG2-ND1 3.3Å; L166-H210 WeakPolarHBondContact CD2-NE2 3.45Å; S208-H210 PolarHBondContact OG-NE2 3.48Å
211V97.7Very high97.6Very high19 Ų1945 Ų4512%0.11525%0.247CC..PPolyproline II helixtrans-98.3152.5-179.2-64.50000112.2I157 T217 M220 S239 V243I157-V211 HydrophobicContact CG2-CG1 3.87Å; V211-T217 HydrophobicContact CB-CG2 3.84Å; V211-T217 HydrophobicContact CG1-CG2 4.48Å; V211-T217 HydrophobicContact CG2-CG2 3.82Å; V211-M220 HydrophobicContact CG1-SD 4.4Å; V211-M220 HydrophobicContact CG2-SD 3.86Å; V211-S239 WeakPolarHBondContact O-CB 3.46Å; V211-V243 HydrophobicContact CG2-CG1 3.78Å; V211-V243 HydrophobicContact CG2-CG2 3.79Å
212P94.5Very high97.6Very high83 Ų8345.3 Ų45.354%0.53925%0.251SS..PPolyproline II helixtrans-71.2166.517131.7-35.9000111.5T217P212-T217 WeakPolarHBondContact O-CB 3.39Å; P212-T217 WeakPolarHBondContact O-CG2 3.26Å; P212-T217 PolarHBondContact O-OG1 3Å
213E92.5Very high97.6Very high117 Ų11744.2 Ų44.255%0.54725%0.254SS..PPolyproline II helixtrans-84.3117.3170.8176.4163.5-151.500109.7R240 T242E213-R240 HydrophobicContact CB-CB 4.05Å; E213-R240 HydrophobicContact CB-CG 3.74Å; E213-T242 WeakPolarHBondContact OE1-CG2 3.42Å; E213-T242 PolarHBondContact OE1-OG1 3.18Å
214N94.8Very high97.6Very high59 Ų5948.3 Ų48.332%0.31627%0.27SS..SBendtrans-155.9172.8173.968.352000109.7S216 T217 K218N214-S216 PolarHBondContact O-N 3.32Å; N214-S216 VanDerWaalsContact O-N 3.09Å; N214-S216 WeakPolarHBondContact OD1-CA 3.31Å; N214-S216 WeakPolarHBondContact OD1-CB 3.49Å; N214-S216 PolarHBondContact OD1-N 3.41Å; N214-S216 PolarHBondContact OD1-OG 2.91Å; N214-T217 PolarHBondContact N-OG1 2.82Å; N214-T217 PolarHBondContact O-N 3.43Å; N214-T217 VanDerWaalsContact O-N 3.11Å; N214-T217 PolarHBondContact O-OG1 3.25Å; N214-T217 PolarHBondContact OD1-N 2.99Å; N214-T217 VanDerWaalsContact OD1-N 3.15Å; N214-K218 PolarHBondContact O-N 3.18Å
215P96.8Very high97.6Very high130 Ų13050.3 Ų50.384%0.84428%0.28SS*.THydrogen-bonded Turntrans-57.3-27.1-178.2-28.436.9000115.3
216S96.3Very high97.6Very high90 Ų9049.4 Ų49.463%0.62928%0.275SS*.THydrogen-bonded Turntrans-84-19.1179.971.50000114.3N214N214-S216 PolarHBondContact O-N 3.32Å; N214-S216 VanDerWaalsContact O-N 3.09Å; N214-S216 WeakPolarHBondContact OD1-CA 3.31Å; N214-S216 WeakPolarHBondContact OD1-CB 3.49Å; N214-S216 PolarHBondContact OD1-N 3.41Å; N214-S216 PolarHBondContact OD1-OG 2.91Å
217T97.8Very high97.6Very high10 Ų1052.9 Ų52.96%0.06130%0.299CS..THydrogen-bonded Turntrans-99.8-13.7179.857.80000112.9V211 P212 N214 N219 M220 V243V211-T217 HydrophobicContact CB-CG2 3.84Å; V211-T217 HydrophobicContact CG1-CG2 4.48Å; V211-T217 HydrophobicContact CG2-CG2 3.82Å; P212-T217 WeakPolarHBondContact O-CB 3.39Å; P212-T217 WeakPolarHBondContact O-CG2 3.26Å; P212-T217 PolarHBondContact O-OG1 3Å; N214-T217 PolarHBondContact N-OG1 2.82Å; N214-T217 PolarHBondContact O-N 3.43Å; N214-T217 VanDerWaalsContact O-N 3.11Å; N214-T217 PolarHBondContact O-OG1 3.25Å; N214-T217 PolarHBondContact OD1-N 2.99Å; N214-T217 VanDerWaalsContact OD1-N 3.15Å; T217-N219 PolarHBondContact O-N 2.82Å; T217-M220 HydrophobicContact CG2-SD 4.26Å; T217-M220 WeakPolarHBondContact O-CB 3.28Å; T217-M220 WeakPolarHBondContact O-CG 3.36Å; T217-M220 PolarHBondContact O-N 3.21Å; T217-M220 VanDerWaalsContact O-N 3.15Å; T217-V243 WeakPolarHBondContact O-CA 3.46Å
218K98Very high97.6Very high140 Ų14055.2 Ų55.261%0.60931%0.311SS*.THydrogen-bonded Turntrans-59.3120176.9-174.9174.6-178.2174.70111.2N214 M220 T242N214-K218 PolarHBondContact O-N 3.18Å; K218-M220 PolarHBondContact O-N 2.97Å; K218-M220 VanDerWaalsContact O-N 3.14Å; K218-T242 CarbonylContact C-O 3.4Å; K218-T242 WeakPolarHBondContact CA-O 3.27Å
219N97.7Very high97.6Very high73 Ų7355.3 Ų55.339%0.3931%0.312SS..THydrogen-bonded Turntrans48.932.6-176.2-64-7.8000113T217 M221 G222 T242 V243 D245T217-N219 PolarHBondContact O-N 2.82Å; N219-M221 PolarHBondContact O-N 2.89Å; N219-G222 PolarHBondContact O-N 3.41Å; N219-T242 PolarHBondContact N-O 3.24Å; N219-T242 PolarHBondContact OD1-O 2.78Å; N219-V243 CarbonylContact C-O 3.55Å; N219-V243 WeakPolarHBondContact CA-O 3.27Å; N219-D245 HydrophobicContact CB-CB 4.47Å
220M98.2Very high97.6Very high32 Ų3259.5 Ų59.516%0.15833%0.33CS..  trans-62.8-27.2179.570.6175.3-66.200112.3I157 L197 V211 T217 K218 G222 E225 V243I157-M220 HydrophobicContact CG2-CE 3.6Å; I157-M220 HydrophobicContact CG2-SD 4.34Å; L197-M220 HydrophobicContact CD2-CE 3.97Å; V211-M220 HydrophobicContact CG1-SD 4.4Å; V211-M220 HydrophobicContact CG2-SD 3.86Å; T217-M220 HydrophobicContact CG2-SD 4.26Å; T217-M220 WeakPolarHBondContact O-CB 3.28Å; T217-M220 WeakPolarHBondContact O-CG 3.36Å; T217-M220 PolarHBondContact O-N 3.21Å; T217-M220 VanDerWaalsContact O-N 3.15Å; K218-M220 PolarHBondContact O-N 2.97Å; K218-M220 VanDerWaalsContact O-N 3.14Å; M220-G222 PolarHBondContact O-N 3.41Å; M220-E225 VanDerWaalsContact O-CG 3.3Å; M220-E225 WeakPolarHBondContact O-CG 3.12Å; M220-V243 HydrophobicContact CG-CG1 3.61Å; M220-V243 PolarHBondContact N-O 2.95Å; M220-V243 VanDerWaalsContact N-O 3.1Å; M220-V243 HydrophobicContact SD-CG1 3.82Å
221M98.7Very high97.6Very high0 Ų063 Ų630%036%0.355CS..BIsolated β-bridgetrans-94.872.8168.9-65.7-54.5-62.700109.1I157 L201 L209 N219 E225 I226 M229 L235 V243 V244 D245I157-M221 HydrophobicContact CD1-SD 4.07Å; L201-M221 HydrophobicContact CD1-CE 4.49Å; L201-M221 HydrophobicContact CD2-CE 3.68Å; L201-M221 HydrophobicContact CD2-SD 4.14Å; L209-M221 HydrophobicContact CD1-CG 3.76Å; L209-M221 HydrophobicContact CD2-CG 3.88Å; L209-M221 HydrophobicContact CD2-SD 4.32Å; L209-M221 HydrophobicContact CG-CG 4.48Å; N219-M221 PolarHBondContact O-N 2.89Å; M221-E225 HydrophobicContact CE-CB 4.26Å; M221-E225 HydrophobicContact SD-CB 4.18Å; M221-I226 HydrophobicContact CE-CG1 4.22Å; M221-M229 HydrophobicContact CE-CG 4.41Å; M221-M229 HydrophobicContact CE-SD 3.79Å; M221-L235 HydrophobicContact CE-CD1 4.21Å; M221-V243 PolarHBondContact N-O 3.32Å; M221-V244 HydrophobicContact CB-CB 4.48Å; M221-V244 HydrophobicContact CB-CG1 4.47Å; M221-V244 HydrophobicContact CB-CG2 4.11Å; M221-D245 PolarHBondContact O-N 3.01Å
222G98.6Very high97.6Very high8 Ų864 Ų648%0.08237%0.369CS..  trans-89.3-175.5173.100000112.9N219 M220 K224 E225 I226N219-G222 PolarHBondContact O-N 3.41Å; M220-G222 PolarHBondContact O-N 3.41Å; G222-K224 VanDerWaalsContact C-N 3.26Å; G222-K224 PolarHBondContact O-N 3.34Å; G222-E225 PolarHBondContact O-N 3.25Å; G222-I226 WeakPolarHBondContact O-CB 3.48Å; G222-I226 VanDerWaalsContact O-CG1 3.29Å; G222-I226 WeakPolarHBondContact O-CG1 3.39Å; G222-I226 PolarHBondContact O-N 2.75Å
223A98.6Very high97.8Very high64 Ų6460.2 Ų60.253%0.52934%0.344SS..Hα-helixtrans-55.6-38.8-179.500000113.6S227 A248A223-S227 VanDerWaalsContact O-CB 3.31Å; A223-S227 WeakPolarHBondContact O-CB 3.41Å; A223-S227 PolarHBondContact O-N 3Å; A223-S227 PolarHBondContact O-OG 2.75Å; A223-A248 HydrophobicContact CB-CB 3.92Å
224K98.6Very high98.1Very high144 Ų14454.9 Ų54.963%0.62632%0.319SS*.Hα-helixtrans-65.3-52.4177.8178.4-173.2167.4-154.40110.9G222 S227 L228G222-K224 VanDerWaalsContact C-N 3.26Å; G222-K224 PolarHBondContact O-N 3.34Å; K224-S227 PolarHBondContact O-N 3.47Å; K224-S227 PolarHBondContact O-OG 3.35Å; K224-L228 WeakPolarHBondContact O-CG 3.37Å; K224-L228 PolarHBondContact O-N 3.28Å
225E98.8Very high98.3Very high43 Ų4352 Ų5220%0.20130%0.304CS..Hα-helixtrans-66.3-40.2-177.7-72.466.1-13800111.4L201 M220 M221 G222 S227 L228L201-E225 HydrophobicContact CD1-CB 3.93Å; L201-E225 HydrophobicContact CD1-CG 4.31Å; M220-E225 VanDerWaalsContact O-CG 3.3Å; M220-E225 WeakPolarHBondContact O-CG 3.12Å; M221-E225 HydrophobicContact CE-CB 4.26Å; M221-E225 HydrophobicContact SD-CB 4.18Å; G222-E225 PolarHBondContact O-N 3.25Å; E225-S227 VanDerWaalsContact C-N 3.32Å; E225-S227 PolarHBondContact O-N 2.71Å; E225-L228 WeakPolarHBondContact O-CB 3.46Å; E225-L228 PolarHBondContact O-N 3.33Å; E225-L228 VanDerWaalsContact O-N 3.15Å
226I98.9Very high98.4Very high3 Ų345.9 Ų45.92%0.01526%0.264CS..Hα-helixtrans-61.4-41173.3-67.5169.1000110.8M221 G222 L228 M229 A248 L249 A252 H257 L258M221-I226 HydrophobicContact CE-CG1 4.22Å; G222-I226 WeakPolarHBondContact O-CB 3.48Å; G222-I226 VanDerWaalsContact O-CG1 3.29Å; G222-I226 WeakPolarHBondContact O-CG1 3.39Å; G222-I226 PolarHBondContact O-N 2.75Å; I226-L228 PolarHBondContact O-N 2.71Å; I226-M229 VanDerWaalsContact O-CB 3.25Å; I226-M229 WeakPolarHBondContact O-CB 3.42Å; I226-M229 WeakPolarHBondContact O-CG 3.45Å; I226-M229 PolarHBondContact O-N 3.18Å; I226-A248 HydrophobicContact CD1-CB 3.96Å; I226-L249 HydrophobicContact CD1-CB 4.29Å; I226-A252 HydrophobicContact CG2-CB 3.4Å; I226-A252 VanDerWaalsContact CG2-CB 3.4Å; I226-H257 PolarHBondContact O-NE2 2.88Å; I226-L258 HydrophobicContact CG2-CD1 4.05Å; I226-L258 HydrophobicContact CG2-CG 4.39Å
227S98.6Very high98.5Very high73 Ų7341.6 Ų41.651%0.5123%0.234SC..Hα-helixtrans-65.8-19.9177.476.90000114.6A223 K224 E225 M229A223-S227 VanDerWaalsContact O-CB 3.31Å; A223-S227 WeakPolarHBondContact O-CB 3.41Å; A223-S227 PolarHBondContact O-N 3Å; A223-S227 PolarHBondContact O-OG 2.75Å; K224-S227 PolarHBondContact O-N 3.47Å; K224-S227 PolarHBondContact O-OG 3.35Å; E225-S227 VanDerWaalsContact C-N 3.32Å; E225-S227 PolarHBondContact O-N 2.71Å; S227-M229 VanDerWaalsContact C-N 3.31Å
228L98.8Very high98.5Very high48 Ų4841.7 Ų41.725%0.25124%0.236SC..THydrogen-bonded Turntrans-82.1-12.1174.2-65.7173.8000112.2L201 N202 K224 E225 I226L201-L228 CarbonylContact C-O 3.57Å; L201-L228 HydrophobicContact CB-CB 4.19Å; L201-L228 HydrophobicContact CD1-CB 4.37Å; N202-L228 VanDerWaalsContact CA-O 3.24Å; N202-L228 WeakPolarHBondContact CA-O 3.26Å; N202-L228 PolarHBondContact N-O 3.34Å; N202-L228 PolarHBondContact OD1-O 3.12Å; K224-L228 WeakPolarHBondContact O-CG 3.37Å; K224-L228 PolarHBondContact O-N 3.28Å; E225-L228 WeakPolarHBondContact O-CB 3.46Å; E225-L228 PolarHBondContact O-N 3.33Å; E225-L228 VanDerWaalsContact O-N 3.15Å; I226-L228 PolarHBondContact O-N 2.71Å
229M98.9Very high98.4Very high3 Ų335.7 Ų35.72%0.01521%0.212CC..SBendtrans-66.3149.7174.2-63.6-177.760.200110L201 V207 M221 I226 S227 S233 L234 L235 H257 L258L201-M229 HydrophobicContact CB-CG 4.35Å; L201-M229 HydrophobicContact CD2-CG 3.94Å; V207-M229 HydrophobicContact CB-CE 3.8Å; V207-M229 HydrophobicContact CG2-CE 3.72Å; M221-M229 HydrophobicContact CE-CG 4.41Å; M221-M229 HydrophobicContact CE-SD 3.79Å; I226-M229 VanDerWaalsContact O-CB 3.25Å; I226-M229 WeakPolarHBondContact O-CB 3.42Å; I226-M229 WeakPolarHBondContact O-CG 3.45Å; I226-M229 PolarHBondContact O-N 3.18Å; S227-M229 VanDerWaalsContact C-N 3.31Å; M229-S233 WeakPolarHBondContact CB-OG 3.05Å; M229-L234 WeakPolarHBondContact CE-O 3.32Å; M229-L235 HydrophobicContact CE-CB 4.04Å; M229-L235 HydrophobicContact CE-CD1 4.25Å; M229-L235 HydrophobicContact SD-CB 4.47Å; M229-L235 HydrophobicContact SD-CD1 4.21Å; M229-H257 PolarHBondContact O-CE1 2.95Å; M229-H257 VanDerWaalsContact O-CE1 3.26Å; M229-H257 PolarHBondContact O-NE2 3.23Å; M229-H257 VanDerWaalsContact O-NE2 3.11Å; M229-L258 HydrophobicContact CB-CD2 4.06Å; M229-L258 HydrophobicContact CE-CD2 3.76Å; M229-L258 HydrophobicContact SD-CD2 4.02Å
230K98.5Very high98.4Very high87 Ų8737.3 Ų37.338%0.37821%0.212SC..PPolyproline II helixtrans-60.9136.7177.3-179.4-179.1170.1-172.80110.3D205 G232 S233D205-K230 IonicContact OD1-NZ 2.7Å; D205-K230 PolarHBondContact OD1-NZ 2.8Å; K230-G232 PolarHBondContact O-N 3.34Å; K230-S233 WeakPolarHBondContact O-CB 3.45Å; K230-S233 PolarHBondContact O-N 3.12Å; K230-S233 PolarHBondContact O-OG 2.82Å
231P98.4Very high98.3Very high98 Ų9836.1 Ų36.164%0.63621%0.209SC*.THydrogen-bonded Turntrans-55.4129.8171.8-26.334.6000111.9S233 H257P231-S233 VanDerWaalsContact C-N 3.34Å; P231-H257 CarbonylContact C-O 3.51Å; P231-H257 WeakPolarHBondContact CA-O 3.33Å
232G98.1Very high98.2Very high40 Ų4037.5 Ų37.541%0.41222%0.217SC..THydrogen-bonded Turntrans78.811.4-175.200000114.9K230 H257 A259K230-G232 PolarHBondContact O-N 3.34Å; G232-H257 PolarHBondContact N-O 3.38Å; G232-A259 VanDerWaalsContact O-CB 3.31Å; G232-A259 WeakPolarHBondContact O-CB 3.34Å
233S98.7Very high98.2Very high2 Ų237.1 Ų37.11%0.01421%0.213CC..EExtended strand (participates in β ladder)trans-77.6173.317362.50000112.5D205 M229 K230 P231 L258 A259D205-S233 VanDerWaalsContact O-CA 3.24Å; D205-S233 WeakPolarHBondContact O-CA 3.37Å; D205-S233 VanDerWaalsContact O-CB 3.28Å; D205-S233 WeakPolarHBondContact O-CB 3.44Å; M229-S233 WeakPolarHBondContact CB-OG 3.05Å; K230-S233 WeakPolarHBondContact O-CB 3.45Å; K230-S233 PolarHBondContact O-N 3.12Å; K230-S233 PolarHBondContact O-OG 2.82Å; P231-S233 VanDerWaalsContact C-N 3.34Å; S233-L258 WeakPolarHBondContact O-CA 3.17Å; S233-L258 WeakPolarHBondContact OG-CD2 3.44Å; S233-A259 PolarHBondContact O-N 2.7Å
234L98.9Very high98.2Very high5 Ų534.1 Ų34.13%0.02619%0.188CC..EExtended strand (participates in β ladder)trans-119.2141.6-176.6-59.2170.9000110.6L123 L124 D205 V206 V207 M229 A259 G260L123-L234 HydrophobicContact CB-CD1 3.5Å; L123-L234 HydrophobicContact CB-CD2 3.88Å; L123-L234 HydrophobicContact CB-CG 4.24Å; L123-L234 HydrophobicContact CD2-CD2 4.46Å; L124-L234 HydrophobicContact CD2-CD1 3.9Å; L124-L234 HydrophobicContact CG-CD1 3.87Å; D205-L234 PolarHBondContact O-N 2.95Å; V206-L234 HydrophobicContact CG1-CB 4.23Å; V206-L234 HydrophobicContact CG2-CB 4.3Å; V206-L234 HydrophobicContact CG2-CD1 4Å; V207-L234 PolarHBondContact N-O 2.91Å; M229-L234 WeakPolarHBondContact CE-O 3.32Å; L234-A259 HydrophobicContact CD2-CB 3.96Å; L234-G260 WeakPolarHBondContact CA-O 3.25Å
235L98.9Very high98.2Very high0 Ų029.6 Ų29.60%017%0.171CC..EExtended strand (participates in β ladder)trans-115.5128.7173.8-176.863.9000110.7V207 L209 M221 M229 V244 L249 L258 G260 A261 A262V207-L235 HydrophobicContact CB-CD1 4.15Å; V207-L235 HydrophobicContact CG1-CD1 4.03Å; L209-L235 HydrophobicContact CD1-CD1 4.23Å; L209-L235 HydrophobicContact CD2-CD1 4.41Å; L209-L235 HydrophobicContact CG-CD1 4.26Å; M221-L235 HydrophobicContact CE-CD1 4.21Å; M229-L235 HydrophobicContact CE-CB 4.04Å; M229-L235 HydrophobicContact CE-CD1 4.25Å; M229-L235 HydrophobicContact SD-CB 4.47Å; M229-L235 HydrophobicContact SD-CD1 4.21Å; L235-V244 HydrophobicContact CD2-CG1 4.19Å; L235-V244 HydrophobicContact CD2-CG2 4.32Å; L235-L249 HydrophobicContact CD2-CD1 4.05Å; L235-L258 HydrophobicContact CB-CD1 4.12Å; L235-G260 PolarHBondContact N-O 3.26Å; L235-A261 CarbonylContact O-C 3.37Å; L235-A261 WeakPolarHBondContact O-CA 3.21Å; L235-A261 VanDerWaalsContact O-CB 3.31Å; L235-A261 WeakPolarHBondContact O-CB 3.21Å; L235-A262 PolarHBondContact O-N 2.9Å
236I98.9Very high98.2Very high0 Ų028.3 Ų28.30%017%0.165CC..EExtended strand (participates in β ladder)trans-122.9127177.3-56.7-179.9000109.6V116 E119 L120 L123 V206 V207 S208 L209 A262V116-I236 HydrophobicContact CG1-CD1 4.15Å; V116-I236 HydrophobicContact CG1-CG2 4.08Å; V116-I236 HydrophobicContact CG2-CG2 3.99Å; E119-I236 HydrophobicContact CB-CD1 4.3Å; E119-I236 WeakPolarHBondContact OE2-CG2 3.47Å; L120-I236 HydrophobicContact CB-CD1 3.61Å; L123-I236 HydrophobicContact CD1-CD1 4.22Å; L123-I236 HydrophobicContact CD1-CG1 4.15Å; V206-I236 HydrophobicContact CG1-CD1 4.01Å; V206-I236 HydrophobicContact CG1-CG1 4.43Å; V207-I236 PolarHBondContact O-N 2.94Å; S208-I236 WeakPolarHBondContact CA-O 3.38Å; L209-I236 PolarHBondContact N-O 3.33Å; I236-A262 CarbonylContact C-O 3.54Å; I236-A262 VanDerWaalsContact CA-O 3.31Å; I236-A262 WeakPolarHBondContact CA-O 3.41Å; I236-A262 HydrophobicContact CG1-CB 4.12Å; I236-A262 HydrophobicContact CG2-CB 4.12Å
237N98.8Very high98.2Very high1 Ų132.3 Ų32.31%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-123.6103.3174.6-172.616.1000111.3L209 S239 R240 V244 A262 I263 D264L209-N237 HydrophobicContact CD1-CB 4.02Å; N237-S239 PolarHBondContact OD1-N 2.97Å; N237-S239 PolarHBondContact OD1-OG 3.44Å; N237-R240 PolarHBondContact ND2-O 3.4Å; N237-V244 HydrophobicContact CB-CG2 4.05Å; N237-A262 PolarHBondContact N-O 3.4Å; N237-I263 HydrophobicContact CB-CD1 3.84Å; N237-D264 PolarHBondContact O-N 2.92Å
238A97.1Very high98.2Very high11 Ų1129.2 Ų29.29%0.09117%0.17CC..  trans-117.931.9169.200000111.1V112 V116 D264V112-A238 HydrophobicContact CG1-CB 3.85Å; V116-A238 HydrophobicContact CG2-CB 3.91Å; A238-D264 HydrophobicContact CB-CB 4.31Å
239S96.5Very high98.2Very high15 Ų1526.9 Ų26.911%0.10516%0.158CC..SBendtrans-107.3-87.8-178.164.70000112.4L209 V211 N237L209-S239 WeakPolarHBondContact O-CB 3.22Å; V211-S239 WeakPolarHBondContact O-CB 3.46Å; N237-S239 PolarHBondContact OD1-N 2.97Å; N237-S239 PolarHBondContact OD1-OG 3.44Å
240R96Very high98.2Very high106 Ų10627.3 Ų27.340%0.416%0.161SC..  trans-137.4143.7177.1-58.7-72178.2-160.80.1110.3E213 N237 T242 V243E213-R240 HydrophobicContact CB-CB 4.05Å; E213-R240 HydrophobicContact CB-CG 3.74Å; N237-R240 PolarHBondContact ND2-O 3.4Å; R240-T242 PolarHBondContact O-N 2.76Å; R240-V243 HydrophobicContact CB-CG2 3.87Å; R240-V243 WeakPolarHBondContact O-CB 3.48Å; R240-V243 WeakPolarHBondContact O-CG2 3.49Å; R240-V243 PolarHBondContact O-N 2.99Å
241G96.6Very high98.2Very high8 Ų828.6 Ų28.68%0.08217%0.172CC..G310 helixtrans-63.2-26.6-17500000114.1V243 F266 P267G241-V243 VanDerWaalsContact C-N 3.3Å; G241-V243 PolarHBondContact O-N 3.18Å; G241-F266 VanDerWaalsContact CA-C 3.44Å; G241-P267 WeakPolarHBondContact O-CD 3.25Å; G241-P267 WeakPolarHBondContact O-CG 3.4Å
242T97.4Very high98.2Very high29 Ų2924.3 Ų24.318%0.17815%0.145CC..G310 helixtrans-84.13.7-179.353.10000114.3E213 K218 N219 R240E213-T242 WeakPolarHBondContact OE1-CG2 3.42Å; E213-T242 PolarHBondContact OE1-OG1 3.18Å; K218-T242 CarbonylContact C-O 3.4Å; K218-T242 WeakPolarHBondContact CA-O 3.27Å; N219-T242 PolarHBondContact N-O 3.24Å; N219-T242 PolarHBondContact OD1-O 2.78Å; R240-T242 PolarHBondContact O-N 2.76Å
243V98.6Very high98.2Very high0 Ų022.6 Ų22.60%013%0.126CC..G310 helixtrans-81.3-30-178.6179.30000111.9L209 V211 T217 N219 M220 M221 R240 G241L209-V243 HydrophobicContact CB-CG1 4.48Å; L209-V243 HydrophobicContact CD1-CG1 3.73Å; V211-V243 HydrophobicContact CG2-CG1 3.78Å; V211-V243 HydrophobicContact CG2-CG2 3.79Å; T217-V243 WeakPolarHBondContact O-CA 3.46Å; N219-V243 CarbonylContact C-O 3.55Å; N219-V243 WeakPolarHBondContact CA-O 3.27Å; M220-V243 HydrophobicContact CG-CG1 3.61Å; M220-V243 PolarHBondContact N-O 2.95Å; M220-V243 VanDerWaalsContact N-O 3.1Å; M220-V243 HydrophobicContact SD-CG1 3.82Å; M221-V243 PolarHBondContact N-O 3.32Å; R240-V243 HydrophobicContact CB-CG2 3.87Å; R240-V243 WeakPolarHBondContact O-CB 3.48Å; R240-V243 WeakPolarHBondContact O-CG2 3.49Å; R240-V243 PolarHBondContact O-N 2.99Å; G241-V243 VanDerWaalsContact C-N 3.3Å; G241-V243 PolarHBondContact O-N 3.18Å
244V98.7Very high98.2Very high1 Ų125.9 Ų25.91%0.00615%0.153CC..BIsolated β-bridgetrans-110.5131-176.5-1780000110.3L209 M221 L235 N237 I246 L249L209-V244 HydrophobicContact CD1-CG2 3.4Å; L209-V244 VanDerWaalsContact CD1-CG2 3.4Å; M221-V244 HydrophobicContact CB-CB 4.48Å; M221-V244 HydrophobicContact CB-CG1 4.47Å; M221-V244 HydrophobicContact CB-CG2 4.11Å; L235-V244 HydrophobicContact CD2-CG1 4.19Å; L235-V244 HydrophobicContact CD2-CG2 4.32Å; N237-V244 HydrophobicContact CB-CG2 4.05Å; V244-I246 HydrophobicContact CG1-CD1 4.47Å; V244-I246 PolarHBondContact O-N 2.75Å; V244-L249 HydrophobicContact CG1-CB 4.08Å; V244-L249 HydrophobicContact CG1-CD2 4.06Å
245D98.6Very high98.2Very high48 Ų4829.4 Ų29.426%0.25718%0.179SC..  trans-73.7103.5167.2-174.5-29.9000109N219 M221 P247 A248 L249N219-D245 HydrophobicContact CB-CB 4.47Å; M221-D245 PolarHBondContact O-N 3.01Å; D245-P247 WeakPolarHBondContact OD1-CD 3.37Å; D245-A248 HydrophobicContact CB-CB 3.89Å; D245-A248 PolarHBondContact O-N 3.48Å; D245-A248 PolarHBondContact OD1-N 2.88Å; D245-L249 PolarHBondContact O-N 2.97Å
246I98.3Very high98.1Very high17 Ų1737.7 Ų37.79%0.08722%0.215CC..Hα-helixtrans-61.1-46.8-174.7-58.1-60.5000112.4V244 A248 L249 C250 P267 P280 L281V244-I246 HydrophobicContact CG1-CD1 4.47Å; V244-I246 PolarHBondContact O-N 2.75Å; I246-A248 VanDerWaalsContact C-N 3.33Å; I246-A248 PolarHBondContact O-N 2.82Å; I246-L249 WeakPolarHBondContact O-CB 3.35Å; I246-L249 PolarHBondContact O-N 3.12Å; I246-C250 PolarHBondContact O-N 3.48Å; I246-C250 PolarHBondContact O-SG 2.86Å; I246-C250 VanDerWaalsContact O-SG 3.41Å; I246-P267 HydrophobicContact CG1-CG 3.91Å; I246-P280 HydrophobicContact CG2-CG 3.64Å; I246-L281 HydrophobicContact CD1-CD1 4.1Å; I246-L281 HydrophobicContact CG2-CD1 4.27Å; I246-L281 HydrophobicContact CG2-CG 4.07Å
247P98.4Very high98.1Very high86 Ų8639.8 Ų39.856%0.55822%0.224SC*.Hα-helixtrans-50.8-48.2170-3032.9000114.1D245 L249 C250 D251D245-P247 WeakPolarHBondContact OD1-CD 3.37Å; P247-L249 VanDerWaalsContact C-N 3.29Å; P247-L249 PolarHBondContact O-N 2.58Å; P247-C250 WeakPolarHBondContact O-CB 3.47Å; P247-C250 PolarHBondContact O-N 3.49Å; P247-D251 PolarHBondContact O-N 2.85Å
248A98.7Very high98.1Very high8 Ų839.8 Ų39.87%0.06622%0.224CC..Hα-helixtrans-64-35.5179.400000112.7A223 I226 D245 I246 A252A223-A248 HydrophobicContact CB-CB 3.92Å; I226-A248 HydrophobicContact CD1-CB 3.96Å; D245-A248 HydrophobicContact CB-CB 3.89Å; D245-A248 PolarHBondContact O-N 3.48Å; D245-A248 PolarHBondContact OD1-N 2.88Å; I246-A248 VanDerWaalsContact C-N 3.33Å; I246-A248 PolarHBondContact O-N 2.82Å; A248-A252 PolarHBondContact O-N 3.27Å; A248-A252 VanDerWaalsContact O-N 3.15Å
249L98.8Very high98.2Very high0 Ų041.7 Ų41.70%024%0.24CC..Hα-helixtrans-65-45.2173.1177.157.3000111.6I226 L235 V244 D245 I246 P247 D251 A252 L253 L258 A261 I263 L281I226-L249 HydrophobicContact CD1-CB 4.29Å; L235-L249 HydrophobicContact CD2-CD1 4.05Å; V244-L249 HydrophobicContact CG1-CB 4.08Å; V244-L249 HydrophobicContact CG1-CD2 4.06Å; D245-L249 PolarHBondContact O-N 2.97Å; I246-L249 WeakPolarHBondContact O-CB 3.35Å; I246-L249 PolarHBondContact O-N 3.12Å; P247-L249 VanDerWaalsContact C-N 3.29Å; P247-L249 PolarHBondContact O-N 2.58Å; L249-D251 VanDerWaalsContact C-N 3.32Å; L249-D251 PolarHBondContact O-N 2.86Å; L249-A252 PolarHBondContact O-N 3.25Å; L249-L253 HydrophobicContact CD1-CD1 3.99Å; L249-L253 HydrophobicContact CD1-CG 4.1Å; L249-L253 HydrophobicContact CG-CD1 3.89Å; L249-L253 HydrophobicContact CG-CG 4.48Å; L249-L253 VanDerWaalsContact O-CG 3.31Å; L249-L253 WeakPolarHBondContact O-CG 3.17Å; L249-L253 PolarHBondContact O-N 2.86Å; L249-L258 HydrophobicContact CD1-CD1 3.66Å; L249-A261 HydrophobicContact CD1-CB 4.25Å; L249-A261 HydrophobicContact CD2-CB 4.36Å; L249-I263 HydrophobicContact CD2-CD1 3.8Å; L249-I263 HydrophobicContact CD2-CG1 4.15Å; L249-L281 HydrophobicContact CD2-CD1 4.33Å; L249-L281 HydrophobicContact CD2-CD2 3.87Å; L249-L281 HydrophobicContact CG-CD2 4.03Å
250C98.8Very high98.3Very high11 Ų1141 Ų417%0.07424%0.235CC..Hα-helixtrans-57.4-44.9175.6-700000111.6I246 P247 A252 L253 A254 F284I246-C250 PolarHBondContact O-N 3.48Å; I246-C250 PolarHBondContact O-SG 2.86Å; I246-C250 VanDerWaalsContact O-SG 3.41Å; P247-C250 WeakPolarHBondContact O-CB 3.47Å; P247-C250 PolarHBondContact O-N 3.49Å; C250-A252 VanDerWaalsContact C-N 3.33Å; C250-A252 PolarHBondContact O-N 3.35Å; C250-L253 PolarHBondContact O-N 2.64Å; C250-A254 WeakPolarHBondContact O-CB 3.43Å; C250-A254 PolarHBondContact O-N 2.83Å; C250-F284 HydrophobicContact CB-CE2 4Å; C250-F284 HydrophobicContact CB-CZ 4.09Å; C250-F284 WeakPolarHBondContact O-CZ 3.05Å
251D98.7Very high98.4Very high114 Ų11436 Ų3661%0.6122%0.216SC*.Hα-helixtrans-60.8-41.7177.9-72.7-19.5000112P247 L249 S255P247-D251 PolarHBondContact O-N 2.85Å; L249-D251 VanDerWaalsContact C-N 3.32Å; L249-D251 PolarHBondContact O-N 2.86Å; D251-S255 VanDerWaalsContact O-CB 3.32Å; D251-S255 WeakPolarHBondContact O-CB 3.17Å; D251-S255 PolarHBondContact O-N 2.91Å; D251-S255 PolarHBondContact O-OG 3.42Å
252A98.8Very high98.5Very high8 Ų835.6 Ų35.67%0.06621%0.212CC..Hα-helixtrans-69.7-32.8178.700000113.1I226 A248 L249 C250 S255 K256 H257 L258I226-A252 HydrophobicContact CG2-CB 3.4Å; I226-A252 VanDerWaalsContact CG2-CB 3.4Å; A248-A252 PolarHBondContact O-N 3.27Å; A248-A252 VanDerWaalsContact O-N 3.15Å; L249-A252 PolarHBondContact O-N 3.25Å; C250-A252 VanDerWaalsContact C-N 3.33Å; C250-A252 PolarHBondContact O-N 3.35Å; A252-S255 WeakPolarHBondContact CA-OG 3.46Å; A252-S255 PolarHBondContact O-OG 2.99Å; A252-K256 PolarHBondContact O-N 3.46Å; A252-H257 HydrophobicContact CB-CB 4.49Å; A252-H257 PolarHBondContact O-N 3.2Å; A252-L258 HydrophobicContact CB-CD1 4.15Å; A252-L258 HydrophobicContact CB-CG 4.05Å; A252-L258 PolarHBondContact O-N 2.75Å; A252-L258 VanDerWaalsContact O-N 3.13Å
253L98.7Very high98.6Very high5 Ų534.2 Ų34.23%0.02620%0.204CC..Hα-helixtrans-72.8-45.9173.9-69.9164.7000111.4L249 C250 S255 K256 L258 A261 L281 F284 V287L249-L253 HydrophobicContact CD1-CD1 3.99Å; L249-L253 HydrophobicContact CD1-CG 4.1Å; L249-L253 HydrophobicContact CG-CD1 3.89Å; L249-L253 HydrophobicContact CG-CG 4.48Å; L249-L253 VanDerWaalsContact O-CG 3.31Å; L249-L253 WeakPolarHBondContact O-CG 3.17Å; L249-L253 PolarHBondContact O-N 2.86Å; C250-L253 PolarHBondContact O-N 2.64Å; L253-S255 VanDerWaalsContact C-N 3.34Å; L253-S255 PolarHBondContact O-N 3.49Å; L253-K256 WeakPolarHBondContact O-CA 3.35Å; L253-K256 PolarHBondContact O-N 2.92Å; L253-L258 HydrophobicContact CD2-CB 4.23Å; L253-A261 HydrophobicContact CD2-CB 4.49Å; L253-L281 HydrophobicContact CD1-CD2 3.89Å; L253-F284 HydrophobicContact CB-CD1 3.76Å; L253-F284 HydrophobicContact CB-CD2 4.49Å; L253-F284 HydrophobicContact CB-CE1 3.6Å; L253-F284 HydrophobicContact CB-CE2 4.37Å; L253-F284 HydrophobicContact CB-CG 4.22Å; L253-F284 HydrophobicContact CB-CZ 3.94Å; L253-F284 HydrophobicContact CD1-CD2 3.95Å; L253-F284 HydrophobicContact CD1-CE2 4.18Å; L253-F284 HydrophobicContact CD1-CG 4.14Å; L253-V287 HydrophobicContact CD1-CG2 3.55Å; L253-V287 HydrophobicContact CD2-CG2 4.03Å; L253-V287 HydrophobicContact CG-CG2 4.44Å
254A98.5Very high98.6Very high70 Ų7034.4 Ų34.458%0.57921%0.205SC*.Hα-helixtrans-62.7-39.9179.100000112.2C250 K256 F284C250-A254 WeakPolarHBondContact O-CB 3.43Å; C250-A254 PolarHBondContact O-N 2.83Å; A254-K256 PolarHBondContact O-N 2.89Å; A254-F284 HydrophobicContact CB-CE1 4.13Å; A254-F284 HydrophobicContact CB-CZ 4.35Å
255S98.4Very high98.5Very high80 Ų8034.5 Ų34.556%0.55921%0.205SC*.THydrogen-bonded Turntrans-75.4-517461.10000114D251 A252 L253 H257D251-S255 VanDerWaalsContact O-CB 3.32Å; D251-S255 WeakPolarHBondContact O-CB 3.17Å; D251-S255 PolarHBondContact O-N 2.91Å; D251-S255 PolarHBondContact O-OG 3.42Å; A252-S255 WeakPolarHBondContact CA-OG 3.46Å; A252-S255 PolarHBondContact O-OG 2.99Å; L253-S255 VanDerWaalsContact C-N 3.34Å; L253-S255 PolarHBondContact O-N 3.49Å; S255-H257 PolarHBondContact O-N 3.2Å
256K97.8Very high98.5Very high174 Ų17433 Ų3376%0.75720%0.197SC*.THydrogen-bonded Turntrans58.123.3-174.3-52.4-178.2179.6-178.10113.7A252 L253 A254 L258A252-K256 PolarHBondContact O-N 3.46Å; L253-K256 WeakPolarHBondContact O-CA 3.35Å; L253-K256 PolarHBondContact O-N 2.92Å; A254-K256 PolarHBondContact O-N 2.89Å; K256-L258 VanDerWaalsContact C-N 3.34Å
257H98.7Very high98.4Very high44 Ų4435.6 Ų35.620%0.20421%0.214CC..SBendtrans-65-43.4170.1179.474.6000110.2I226 M229 P231 G232 A252 S255I226-H257 PolarHBondContact O-NE2 2.88Å; M229-H257 PolarHBondContact O-CE1 2.95Å; M229-H257 VanDerWaalsContact O-CE1 3.26Å; M229-H257 PolarHBondContact O-NE2 3.23Å; M229-H257 VanDerWaalsContact O-NE2 3.11Å; P231-H257 CarbonylContact C-O 3.51Å; P231-H257 WeakPolarHBondContact CA-O 3.33Å; G232-H257 PolarHBondContact N-O 3.38Å; A252-H257 HydrophobicContact CB-CB 4.49Å; A252-H257 PolarHBondContact O-N 3.2Å; S255-H257 PolarHBondContact O-N 3.2Å
258L98.8Very high98.2Very high0 Ų037.1 Ų37.10%022%0.222CC..EExtended strand (participates in β ladder)trans-94.7138.8167.1-62.1-176.3000110.3I226 M229 S233 L235 L249 A252 L253 K256 G260I226-L258 HydrophobicContact CG2-CD1 4.05Å; I226-L258 HydrophobicContact CG2-CG 4.39Å; M229-L258 HydrophobicContact CB-CD2 4.06Å; M229-L258 HydrophobicContact CE-CD2 3.76Å; M229-L258 HydrophobicContact SD-CD2 4.02Å; S233-L258 WeakPolarHBondContact O-CA 3.17Å; S233-L258 WeakPolarHBondContact OG-CD2 3.44Å; L235-L258 HydrophobicContact CB-CD1 4.12Å; L249-L258 HydrophobicContact CD1-CD1 3.66Å; A252-L258 HydrophobicContact CB-CD1 4.15Å; A252-L258 HydrophobicContact CB-CG 4.05Å; A252-L258 PolarHBondContact O-N 2.75Å; A252-L258 VanDerWaalsContact O-N 3.13Å; L253-L258 HydrophobicContact CD2-CB 4.23Å; K256-L258 VanDerWaalsContact C-N 3.34Å; L258-G260 VanDerWaalsContact C-N 3.3Å
259A98.3Very high97.9Very high52 Ų5240.4 Ų40.443%0.4324%0.236SC..EExtended strand (participates in β ladder)trans-76.5-19.9177.300000112.6G232 S233 L234 N286G232-A259 VanDerWaalsContact O-CB 3.31Å; G232-A259 WeakPolarHBondContact O-CB 3.34Å; S233-A259 PolarHBondContact O-N 2.7Å; L234-A259 HydrophobicContact CD2-CB 3.96Å; A259-N286 PolarHBondContact O-ND2 3.19Å
260G98.7Very high97.7Very high0 Ų043 Ų430%025%0.254CS..EExtended strand (participates in β ladder)trans170.6175.1179.400000112L234 L235 L258 N286L234-G260 WeakPolarHBondContact CA-O 3.25Å; L235-G260 PolarHBondContact N-O 3.26Å; L258-G260 VanDerWaalsContact C-N 3.3Å; G260-N286 WeakPolarHBondContact CA-O 3.24Å
261A98.9Very high97Very high0 Ų047.1 Ų47.10%029%0.288CS..EExtended strand (participates in β ladder)trans-146.3159.7177.400000112L235 L249 L253 N286 V287 L288L235-A261 CarbonylContact O-C 3.37Å; L235-A261 WeakPolarHBondContact O-CA 3.21Å; L235-A261 VanDerWaalsContact O-CB 3.31Å; L235-A261 WeakPolarHBondContact O-CB 3.21Å; L249-A261 HydrophobicContact CD1-CB 4.25Å; L249-A261 HydrophobicContact CD2-CB 4.36Å; L253-A261 HydrophobicContact CD2-CB 4.49Å; A261-N286 PolarHBondContact N-O 3.13Å; A261-V287 HydrophobicContact CB-CG1 4.45Å; A261-V287 HydrophobicContact CB-CG2 4.31Å; A261-V287 CarbonylContact O-C 3.59Å; A261-V287 VanDerWaalsContact O-CA 3.26Å; A261-V287 WeakPolarHBondContact O-CA 3.44Å; A261-L288 PolarHBondContact O-N 2.68Å
262A98.9Very high96.5Very high0 Ų045.1 Ų45.10%028%0.28CS..EExtended strand (participates in β ladder)trans-127.4125.5165.700000109.8E119 L123 L235 I236 N237 L288E119-A262 HydrophobicContact CB-CB 3.81Å; E119-A262 HydrophobicContact CG-CB 3.95Å; E119-A262 WeakPolarHBondContact OE2-CB 3.47Å; L123-A262 HydrophobicContact CD1-CB 3.92Å; L235-A262 PolarHBondContact O-N 2.9Å; I236-A262 CarbonylContact C-O 3.54Å; I236-A262 VanDerWaalsContact CA-O 3.31Å; I236-A262 WeakPolarHBondContact CA-O 3.41Å; I236-A262 HydrophobicContact CG1-CB 4.12Å; I236-A262 HydrophobicContact CG2-CB 4.12Å; N237-A262 PolarHBondContact N-O 3.4Å; A262-L288 CarbonylContact C-O 3.06Å; A262-L288 WeakPolarHBondContact CA-O 3.37Å; A262-L288 HydrophobicContact CB-CB 3.91Å
263I98.8Very high96Very high1 Ų153.3 Ų53.31%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-129.3112.8-174-52.1-65000108.5N237 L249 V265 F266 L281 L288 L289 T290N237-I263 HydrophobicContact CB-CD1 3.84Å; L249-I263 HydrophobicContact CD2-CD1 3.8Å; L249-I263 HydrophobicContact CD2-CG1 4.15Å; I263-V265 VanDerWaalsContact CG2-O 3.24Å; I263-V265 WeakPolarHBondContact CG2-O 3.29Å; I263-F266 HydrophobicContact CB-CE1 4.1Å; I263-F266 HydrophobicContact CB-CZ 4.32Å; I263-F266 HydrophobicContact CG2-CD1 3.93Å; I263-F266 HydrophobicContact CG2-CE1 3.49Å; I263-F266 VanDerWaalsContact CG2-CE1 3.49Å; I263-F266 HydrophobicContact CG2-CZ 3.91Å; I263-F266 VanDerWaalsContact O-CZ 3.32Å; I263-F266 WeakPolarHBondContact O-CZ 3.03Å; I263-L281 HydrophobicContact CB-CD1 4.31Å; I263-L281 HydrophobicContact CG1-CD1 3.87Å; I263-L281 HydrophobicContact CG2-CD1 4.4Å; I263-L288 PolarHBondContact N-O 2.97Å; I263-L289 HydrophobicContact CB-CD2 4.08Å; I263-T290 PolarHBondContact O-N 2.88Å; I263-T290 VanDerWaalsContact O-N 3.16Å
264D98.5Very high95.7Very high4 Ų458.6 Ų58.62%0.02136%0.36CS..  trans-96.7-22.4177.1-170.556.7000112.1N237 A238 T290 H292 I293 G294N237-D264 PolarHBondContact O-N 2.92Å; A238-D264 HydrophobicContact CB-CB 4.31Å; D264-T290 CarbonylContact C-O 3.54Å; D264-T290 WeakPolarHBondContact CA-O 3.45Å; D264-T290 WeakPolarHBondContact CA-OG1 3.41Å; D264-T290 WeakPolarHBondContact CB-OG1 3.24Å; D264-T290 VanDerWaalsContact CG-OG1 3.31Å; D264-T290 VanDerWaalsContact OD1-CB 3.24Å; D264-T290 WeakPolarHBondContact OD1-CB 3.34Å; D264-T290 PolarHBondContact OD1-OG1 3.47Å; D264-H292 WeakPolarHBondContact O-CA 3.44Å; D264-H292 PolarHBondContact O-N 3.05Å; D264-H292 WeakPolarHBondContact OD1-CA 3.41Å; D264-H292 PolarHBondContact OD1-N 2.65Å; D264-H292 WeakPolarHBondContact OD2-CA 3.22Å; D264-I293 PolarHBondContact OD1-N 3.02Å; D264-I293 PolarHBondContact OD2-N 3.11Å; D264-G294 PolarHBondContact OD1-N 3.05Å; D264-G294 PolarHBondContact OD2-N 3.33Å
265V97.6Very high95.4Very high2 Ų258.5 Ų58.51%0.01235%0.35CS..  trans-126.5139.6-171.6-690000111I263 E269I263-V265 VanDerWaalsContact CG2-O 3.24Å; I263-V265 WeakPolarHBondContact CG2-O 3.29Å; V265-E269 WeakPolarHBondContact CA-OE1 3.21Å
266F97.6Very high95.3Very high17 Ų1759.9 Ų59.98%0.07536%0.357CS..  trans-129.1149-170-56.2-85.3000112.3G241 I263 T268 E269 F277 L281 L289 T290G241-F266 VanDerWaalsContact CA-C 3.44Å; I263-F266 HydrophobicContact CB-CE1 4.1Å; I263-F266 HydrophobicContact CB-CZ 4.32Å; I263-F266 HydrophobicContact CG2-CD1 3.93Å; I263-F266 HydrophobicContact CG2-CE1 3.49Å; I263-F266 VanDerWaalsContact CG2-CE1 3.49Å; I263-F266 HydrophobicContact CG2-CZ 3.91Å; I263-F266 VanDerWaalsContact O-CZ 3.32Å; I263-F266 WeakPolarHBondContact O-CZ 3.03Å; F266-T268 PolarHBondContact O-N 3.49Å; F266-E269 HydrophobicContact CB-CG 3.9Å; F266-E269 HydrophobicContact CD2-CG 4.33Å; F266-E269 PolarHBondContact N-OE1 3.21Å; F266-F277 HydrophobicContact CD1-CE2 4.04Å; F266-F277 AromaticContact CD1-CZ 3.94Å; F266-F277 HydrophobicContact CD1-CZ 3.94Å; F266-F277 AromaticContact CD2-CE2 3.88Å; F266-F277 HydrophobicContact CD2-CE2 3.88Å; F266-F277 HydrophobicContact CD2-CZ 4.25Å; F266-F277 HydrophobicContact CE1-CE2 4.1Å; F266-F277 AromaticContact CE1-CZ 3.57Å; F266-F277 HydrophobicContact CE1-CZ 3.57Å; F266-F277 AromaticContact CE2-CE2 3.93Å; F266-F277 HydrophobicContact CE2-CE2 3.93Å; F266-F277 AromaticContact CE2-CZ 3.9Å; F266-F277 HydrophobicContact CE2-CZ 3.9Å; F266-F277 AromaticContact CG-CE2 3.94Å; F266-F277 HydrophobicContact CG-CE2 3.94Å; F266-F277 HydrophobicContact CG-CZ 4.27Å; F266-F277 HydrophobicContact CZ-CE2 4.05Å; F266-F277 AromaticContact CZ-CZ 3.55Å; F266-F277 HydrophobicContact CZ-CZ 3.55Å; F266-L281 HydrophobicContact CE1-CD1 4.47Å; F266-L289 HydrophobicContact CE1-CD2 3.95Å; F266-L289 HydrophobicContact CZ-CB 4.41Å; F266-L289 HydrophobicContact CZ-CD2 4.03Å; F266-T290 WeakPolarHBondContact CE2-O 3.4Å
267P95.7Very high95.2Very high71 Ų7155.5 Ų55.546%0.46134%0.338SS..SBendtrans-57.9-28.1175.8-24.431.5000113.7G241 I246G241-P267 WeakPolarHBondContact O-CD 3.25Å; G241-P267 WeakPolarHBondContact O-CG 3.4Å; I246-P267 HydrophobicContact CG1-CG 3.91Å
268T94.6Very high95Very high118 Ų11859.2 Ų59.272%0.72436%0.364SS*.SBendtrans-135.3118.7174.6-58.50000107.6F266F266-T268 PolarHBondContact O-N 3.49Å
269E93.4Very high94.9Very high77 Ų7760.2 Ų60.236%0.3637%0.371SS..  trans-112142.9-178.3-70.2176.1-173.100109.7V265 F266 H292V265-E269 WeakPolarHBondContact CA-OE1 3.21Å; F266-E269 HydrophobicContact CB-CG 3.9Å; F266-E269 HydrophobicContact CD2-CG 4.33Å; F266-E269 PolarHBondContact N-OE1 3.21Å; E269-H292 IonicContact OE1-CG 2.66Å; E269-H292 IonicContact OE1-ND1 3.99Å; E269-H292 PolarHBondContact OE1-ND1 3.29Å; E269-H292 IonicContact OE2-CE1 2.76Å; E269-H292 IonicContact OE2-CG 2.7Å; E269-H292 IonicContact OE2-ND1 3.75Å; E269-H292 PolarHBondContact OE2-ND1 3.48Å
270P92.9Very high94.9Very high56 Ų5661.2 Ų61.236%0.36437%0.373SS..  trans-59142.4172.8-19.731000111.5D275 F277P270-D275 HydrophobicContact CB-CB 3.75Å; P270-F277 HydrophobicContact CG-CB 4.14Å; P270-F277 HydrophobicContact CG-CD2 4.14Å
271A85.6Confident94.9Very high97 Ų9761.2 Ų61.280%0.80237%0.373SS*.SBendtrans-76.1-28.3-179.900000112.2D275A271-D275 PolarHBondContact N-OD2 2.93Å
272T87.2Confident94.8Very high72 Ų7264.8 Ų64.844%0.44240%0.397SS..SBendtrans-137.8161.9-17974.90000111.7S274 D275T272-S274 PolarHBondContact O-N 2.77Å; T272-S274 VanDerWaalsContact O-N 3.12Å; T272-S274 PolarHBondContact OG1-N 3.31Å; T272-D275 WeakPolarHBondContact CB-OD2 3.38Å; T272-D275 PolarHBondContact N-OD2 3.07Å; T272-D275 WeakPolarHBondContact O-CB 3.45Å; T272-D275 PolarHBondContact O-N 3.34Å; T272-D275 VanDerWaalsContact O-N 3.12Å; T272-D275 PolarHBondContact OG1-N 2.81Å; T272-D275 PolarHBondContact OG1-OD2 2.78Å
273N88.8Confident94.7Very high180 Ų18071.2 Ų71.296%0.96343%0.427SS*.THydrogen-bonded Turntrans-65.1-13175-66.2-6.5000113.8
274S92.9Very high94.7Very high115 Ų11572.4 Ų72.480%0.80443%0.433SS*.THydrogen-bonded Turntrans-92.4-15.1177.9-60.90000112.6T272T272-S274 PolarHBondContact O-N 2.77Å; T272-S274 VanDerWaalsContact O-N 3.12Å; T272-S274 PolarHBondContact OG1-N 3.31Å
275D92.6Very high94.7Very high69 Ų6974.9 Ų74.937%0.36945%0.446SS..SBendtrans-75.4139.9177.4-64-40.8000110P270 A271 T272 F277P270-D275 HydrophobicContact CB-CB 3.75Å; A271-D275 PolarHBondContact N-OD2 2.93Å; T272-D275 WeakPolarHBondContact CB-OD2 3.38Å; T272-D275 PolarHBondContact N-OD2 3.07Å; T272-D275 WeakPolarHBondContact O-CB 3.45Å; T272-D275 PolarHBondContact O-N 3.34Å; T272-D275 VanDerWaalsContact O-N 3.12Å; T272-D275 PolarHBondContact OG1-N 2.81Å; T272-D275 PolarHBondContact OG1-OD2 2.78Å; D275-F277 PolarHBondContact O-N 3.28Å
276P94.9Very high94.7Very high109 Ų10976.4 Ų76.471%0.70845%0.454SS*.PPolyproline II helixtrans-67.6134.1-179.727.8-34.1000111.1
277F95.8Very high94.7Very high81 Ų8176.3 Ų76.336%0.35545%0.454SS..PPolyproline II helixtrans-88.5124.3168.6176.5-111.9000110.2F266 P270 D275 L289F266-F277 HydrophobicContact CD1-CE2 4.04Å; F266-F277 AromaticContact CD1-CZ 3.94Å; F266-F277 HydrophobicContact CD1-CZ 3.94Å; F266-F277 AromaticContact CD2-CE2 3.88Å; F266-F277 HydrophobicContact CD2-CE2 3.88Å; F266-F277 HydrophobicContact CD2-CZ 4.25Å; F266-F277 HydrophobicContact CE1-CE2 4.1Å; F266-F277 AromaticContact CE1-CZ 3.57Å; F266-F277 HydrophobicContact CE1-CZ 3.57Å; F266-F277 AromaticContact CE2-CE2 3.93Å; F266-F277 HydrophobicContact CE2-CE2 3.93Å; F266-F277 AromaticContact CE2-CZ 3.9Å; F266-F277 HydrophobicContact CE2-CZ 3.9Å; F266-F277 AromaticContact CG-CE2 3.94Å; F266-F277 HydrophobicContact CG-CE2 3.94Å; F266-F277 HydrophobicContact CG-CZ 4.27Å; F266-F277 HydrophobicContact CZ-CE2 4.05Å; F266-F277 AromaticContact CZ-CZ 3.55Å; F266-F277 HydrophobicContact CZ-CZ 3.55Å; P270-F277 HydrophobicContact CG-CB 4.14Å; P270-F277 HydrophobicContact CG-CD2 4.14Å; D275-F277 PolarHBondContact O-N 3.28Å; F277-L289 HydrophobicContact CE1-CD1 4.13Å
278T95.1Very high94.9Very high122 Ų12274.9 Ų74.975%0.74844%0.443SS*.  trans-127.3132175.557.50000109.7
279S96.9Very high95.1Very high22 Ų2271.8 Ų71.815%0.15442%0.421CS..  trans-155.5139.8176178.10000108.8L281 C282S279-L281 PolarHBondContact O-N 2.76Å; S279-L281 WeakPolarHBondContact OG-CB 3.5Å; S279-L281 PolarHBondContact OG-N 2.85Å; S279-C282 WeakPolarHBondContact O-CB 3.27Å; S279-C282 PolarHBondContact O-N 3.34Å; S279-C282 VanDerWaalsContact O-N 3.14Å; S279-C282 PolarHBondContact O-SG 2.92Å
280P97.8Very high95.3Very high72 Ų7269.3 Ų69.347%0.46841%0.412SS..G310 helixtrans-59.6-26.1171.627.5-35.6000111.2I246 C282 E283I246-P280 HydrophobicContact CG2-CG 3.64Å; P280-C282 PolarHBondContact O-N 2.82Å; P280-C282 VanDerWaalsContact O-N 3.07Å; P280-E283 VanDerWaalsContact O-CG 3.25Å; P280-E283 WeakPolarHBondContact O-CG 3.4Å; P280-E283 PolarHBondContact O-N 3.36Å
281L98.3Very high95.4Very high0 Ų071.6 Ų71.60%043%0.427CS..G310 helixtrans-62.3-18.9178.1-64.4171000114I246 L249 L253 I263 F266 S279 E283 F284 V287 L289I246-L281 HydrophobicContact CD1-CD1 4.1Å; I246-L281 HydrophobicContact CG2-CD1 4.27Å; I246-L281 HydrophobicContact CG2-CG 4.07Å; L249-L281 HydrophobicContact CD2-CD1 4.33Å; L249-L281 HydrophobicContact CD2-CD2 3.87Å; L249-L281 HydrophobicContact CG-CD2 4.03Å; L253-L281 HydrophobicContact CD1-CD2 3.89Å; I263-L281 HydrophobicContact CB-CD1 4.31Å; I263-L281 HydrophobicContact CG1-CD1 3.87Å; I263-L281 HydrophobicContact CG2-CD1 4.4Å; F266-L281 HydrophobicContact CE1-CD1 4.47Å; S279-L281 PolarHBondContact O-N 2.76Å; S279-L281 WeakPolarHBondContact OG-CB 3.5Å; S279-L281 PolarHBondContact OG-N 2.85Å; L281-E283 PolarHBondContact O-N 3.43Å; L281-E283 VanDerWaalsContact O-N 3.13Å; L281-F284 HydrophobicContact CD2-CD2 4.44Å; L281-F284 PolarHBondContact O-N 3.43Å; L281-V287 HydrophobicContact CB-CG1 4.48Å; L281-L289 HydrophobicContact CB-CD1 4.21Å; L281-L289 HydrophobicContact CB-CD2 3.93Å; L281-L289 HydrophobicContact CD1-CD2 4.09Å
282C97.3Very high95.9Very high75 Ų7570.7 Ų70.751%0.50741%0.406SS..G310 helixtrans-64.3-12.8177.5-65.50000113.6S279 P280 F284S279-C282 WeakPolarHBondContact O-CB 3.27Å; S279-C282 PolarHBondContact O-N 3.34Å; S279-C282 VanDerWaalsContact O-N 3.14Å; S279-C282 PolarHBondContact O-SG 2.92Å; P280-C282 PolarHBondContact O-N 2.82Å; P280-C282 VanDerWaalsContact O-N 3.07Å; C282-F284 VanDerWaalsContact C-N 3.31Å
283E96.9Very high96.3Very high135 Ų13570.8 Ų70.863%0.63140%0.403SS*.G310 helixtrans-77-16176.776.7-172127.600113.7P280 L281P280-E283 VanDerWaalsContact O-CG 3.25Å; P280-E283 WeakPolarHBondContact O-CG 3.4Å; P280-E283 PolarHBondContact O-N 3.36Å; L281-E283 PolarHBondContact O-N 3.43Å; L281-E283 VanDerWaalsContact O-N 3.13Å
284F98.4Very high96.6Very high27 Ų2762.3 Ų62.312%0.11836%0.358CS..  trans-100.7116.8-171.4-60.9-78.1000112.5C250 L253 A254 L281 C282 N286 V287C250-F284 HydrophobicContact CB-CE2 4Å; C250-F284 HydrophobicContact CB-CZ 4.09Å; C250-F284 WeakPolarHBondContact O-CZ 3.05Å; L253-F284 HydrophobicContact CB-CD1 3.76Å; L253-F284 HydrophobicContact CB-CD2 4.49Å; L253-F284 HydrophobicContact CB-CE1 3.6Å; L253-F284 HydrophobicContact CB-CE2 4.37Å; L253-F284 HydrophobicContact CB-CG 4.22Å; L253-F284 HydrophobicContact CB-CZ 3.94Å; L253-F284 HydrophobicContact CD1-CD2 3.95Å; L253-F284 HydrophobicContact CD1-CE2 4.18Å; L253-F284 HydrophobicContact CD1-CG 4.14Å; A254-F284 HydrophobicContact CB-CE1 4.13Å; A254-F284 HydrophobicContact CB-CZ 4.35Å; L281-F284 HydrophobicContact CD2-CD2 4.44Å; L281-F284 PolarHBondContact O-N 3.43Å; C282-F284 VanDerWaalsContact C-N 3.31Å; F284-N286 PolarHBondContact O-N 3.49Å; F284-V287 HydrophobicContact CB-CB 4.11Å; F284-V287 HydrophobicContact CB-CG2 3.53Å; F284-V287 HydrophobicContact CD2-CG2 4.49Å; F284-V287 HydrophobicContact CG-CG2 4.24Å; F284-V287 PolarHBondContact O-N 2.79Å
285D97.8Very high96.5Very high56 Ų5657.5 Ų57.530%0.29933%0.326SS..THydrogen-bonded Turntrans-67.6-19.1175.7-72.7-45.2000113.7P128 E129 A132 R136P128-D285 CarbonylContact C-O 3.58Å; P128-D285 WeakPolarHBondContact CB-O 3.2Å; E129-D285 VanDerWaalsContact CA-O 3.22Å; E129-D285 WeakPolarHBondContact CA-O 3.36Å; E129-D285 HydrophobicContact CB-CB 4.28Å; E129-D285 HydrophobicContact CG-CB 3.94Å; E129-D285 PolarHBondContact N-O 3.32Å; A132-D285 HydrophobicContact CB-CB 4.1Å; A132-D285 VanDerWaalsContact CB-OD1 3.31Å; A132-D285 WeakPolarHBondContact CB-OD1 3.29Å; R136-D285 IonicContact CZ-OD1 2.99Å; R136-D285 VanDerWaalsContact CZ-OD1 3.27Å; R136-D285 IonicContact CZ-OD2 3.3Å; R136-D285 IonicContact NH1-OD1 3.27Å; R136-D285 PolarHBondContact NH1-OD1 3.03Å; R136-D285 IonicContact NH1-OD2 3.36Å; R136-D285 PolarHBondContact NH1-OD2 2.57Å; R136-D285 IonicContact NH2-OD1 3.99Å; R136-D285 PolarHBondContact NH2-OD1 2.82Å; R136-D285 IonicContact NH2-OD2 3.56Å; R136-D285 PolarHBondContact NH2-OD2 3.28Å
286N97.9Very high96.4Very high33 Ų3357.8 Ų57.818%0.17633%0.334CS..THydrogen-bonded Turntrans-96.419.3179.263.2-36.2000113.1E129 A259 G260 A261 F284E129-N286 HydrophobicContact CB-CB 4.28Å; A259-N286 PolarHBondContact O-ND2 3.19Å; G260-N286 WeakPolarHBondContact CA-O 3.24Å; A261-N286 PolarHBondContact N-O 3.13Å; F284-N286 PolarHBondContact O-N 3.49Å
287V98.7Very high96.5Very high15 Ų1554.6 Ų54.69%0.09131%0.312CS..EExtended strand (participates in β ladder)trans-118.3132176179.40000110.6L253 A261 L281 F284 L289L253-V287 HydrophobicContact CD1-CG2 3.55Å; L253-V287 HydrophobicContact CD2-CG2 4.03Å; L253-V287 HydrophobicContact CG-CG2 4.44Å; A261-V287 HydrophobicContact CB-CG1 4.45Å; A261-V287 HydrophobicContact CB-CG2 4.31Å; A261-V287 CarbonylContact O-C 3.59Å; A261-V287 VanDerWaalsContact O-CA 3.26Å; A261-V287 WeakPolarHBondContact O-CA 3.44Å; L281-V287 HydrophobicContact CB-CG1 4.48Å; F284-V287 HydrophobicContact CB-CB 4.11Å; F284-V287 HydrophobicContact CB-CG2 3.53Å; F284-V287 HydrophobicContact CD2-CG2 4.49Å; F284-V287 HydrophobicContact CG-CG2 4.24Å; F284-V287 PolarHBondContact O-N 2.79Å; V287-L289 HydrophobicContact CG1-CD2 3.55Å; V287-L289 HydrophobicContact CG1-CG 4Å
288L98.7Very high96.5Very high41 Ų4158.2 Ų58.222%0.21533%0.33CS..EExtended strand (participates in β ladder)trans-91.6126.9168.2-70.3170.2000108.9E119 L122 L123 P128 A261 A262 I263E119-L288 HydrophobicContact CB-CD1 4.1Å; E119-L288 HydrophobicContact CG-CD1 4.02Å; L122-L288 HydrophobicContact CB-CD1 4.21Å; L122-L288 HydrophobicContact CD1-CD1 4.24Å; L123-L288 HydrophobicContact CG-CD1 4.22Å; P128-L288 HydrophobicContact CB-CD2 4.14Å; P128-L288 HydrophobicContact CB-CG 4.32Å; P128-L288 HydrophobicContact CG-CD1 4.04Å; P128-L288 HydrophobicContact CG-CD2 3.77Å; P128-L288 HydrophobicContact CG-CG 3.68Å; A261-L288 PolarHBondContact O-N 2.68Å; A262-L288 CarbonylContact C-O 3.06Å; A262-L288 WeakPolarHBondContact CA-O 3.37Å; A262-L288 HydrophobicContact CB-CB 3.91Å; I263-L288 PolarHBondContact N-O 2.97Å
289L98.4Very high96.5Very high53 Ų5358 Ų5828%0.27732%0.32SS..EExtended strand (participates in β ladder)trans-120.4122.5177.1-58.4177.5000108.3I263 F266 F277 L281 V287I263-L289 HydrophobicContact CB-CD2 4.08Å; F266-L289 HydrophobicContact CE1-CD2 3.95Å; F266-L289 HydrophobicContact CZ-CB 4.41Å; F266-L289 HydrophobicContact CZ-CD2 4.03Å; F277-L289 HydrophobicContact CE1-CD1 4.13Å; L281-L289 HydrophobicContact CB-CD1 4.21Å; L281-L289 HydrophobicContact CB-CD2 3.93Å; L281-L289 HydrophobicContact CD1-CD2 4.09Å; V287-L289 HydrophobicContact CG1-CD2 3.55Å; V287-L289 HydrophobicContact CG1-CG 4Å
290T98.2Very high96.5Very high25 Ų2557 Ų5715%0.15331%0.314CS..  trans-126.4141.8178.251.80000109.8I263 D264 F266 H292 I293I263-T290 PolarHBondContact O-N 2.88Å; I263-T290 VanDerWaalsContact O-N 3.16Å; D264-T290 CarbonylContact C-O 3.54Å; D264-T290 WeakPolarHBondContact CA-O 3.45Å; D264-T290 WeakPolarHBondContact CA-OG1 3.41Å; D264-T290 WeakPolarHBondContact CB-OG1 3.24Å; D264-T290 VanDerWaalsContact CG-OG1 3.31Å; D264-T290 VanDerWaalsContact OD1-CB 3.24Å; D264-T290 WeakPolarHBondContact OD1-CB 3.34Å; D264-T290 PolarHBondContact OD1-OG1 3.47Å; F266-T290 WeakPolarHBondContact CE2-O 3.4Å; T290-H292 VanDerWaalsContact C-N 3.3Å; T290-H292 PolarHBondContact O-N 3.14Å; T290-I293 HydrophobicContact CG2-CD1 4.2Å; T290-I293 HydrophobicContact CG2-CG1 4.43Å
291P96.1Very high96.3Very high105 Ų10555.6 Ų55.668%0.68230%0.301SS*.SBendtrans-85.964.7-169.733.9-35.8000112.3I293P291-I293 HydrophobicContact CG-CG2 3.99Å; P291-I293 WeakPolarHBondContact O-CG2 3.46Å; P291-I293 PolarHBondContact O-N 3.1Å
292H94.8Very high96.2Very high78 Ų7858.8 Ų58.836%0.36132%0.316SS..SBendtrans55.448.5178.5-159.9160.3000112.8D264 E269 T290D264-H292 WeakPolarHBondContact O-CA 3.44Å; D264-H292 PolarHBondContact O-N 3.05Å; D264-H292 WeakPolarHBondContact OD1-CA 3.41Å; D264-H292 PolarHBondContact OD1-N 2.65Å; D264-H292 WeakPolarHBondContact OD2-CA 3.22Å; E269-H292 IonicContact OE1-CG 2.66Å; E269-H292 IonicContact OE1-ND1 3.99Å; E269-H292 PolarHBondContact OE1-ND1 3.29Å; E269-H292 IonicContact OE2-CE1 2.76Å; E269-H292 IonicContact OE2-CG 2.7Å; E269-H292 IonicContact OE2-ND1 3.75Å; E269-H292 PolarHBondContact OE2-ND1 3.48Å; T290-H292 VanDerWaalsContact C-N 3.3Å; T290-H292 PolarHBondContact O-N 3.14Å
293I95.1Very high96.2Very high74 Ų7458.8 Ų58.838%0.37931%0.311SS..  trans-109.36.8-174.956.8165.5000113.8D264 T290 P291 G295 S296D264-I293 PolarHBondContact OD1-N 3.02Å; D264-I293 PolarHBondContact OD2-N 3.11Å; T290-I293 HydrophobicContact CG2-CD1 4.2Å; T290-I293 HydrophobicContact CG2-CG1 4.43Å; P291-I293 HydrophobicContact CG-CG2 3.99Å; P291-I293 WeakPolarHBondContact O-CG2 3.46Å; P291-I293 PolarHBondContact O-N 3.1Å; I293-G295 PolarHBondContact O-N 2.91Å; I293-S296 WeakPolarHBondContact O-CB 3.35Å; I293-S296 PolarHBondContact O-N 2.85Å
294G95.1Very high96.1Very high2 Ų252.5 Ų52.52%0.02128%0.282CS..THydrogen-bonded Turntrans-50.9-34.9178.600000113.8S111 V112 L115 D264S111-G294 CarbonylContact C-O 3.57Å; S111-G294 WeakPolarHBondContact CB-O 3.29Å; V112-G294 VanDerWaalsContact CA-O 3.26Å; V112-G294 WeakPolarHBondContact CA-O 3.25Å; V112-G294 WeakPolarHBondContact CG2-O 3.17Å; V112-G294 PolarHBondContact N-O 3.01Å; L115-G294 VanDerWaalsContact CD2-CA 3.5Å; D264-G294 PolarHBondContact OD1-N 3.05Å; D264-G294 PolarHBondContact OD2-N 3.33Å
295G92Very high96Very high13 Ų1351.2 Ų51.213%0.13428%0.276CS..THydrogen-bonded Turntrans-95.4-1.6176.100000116.5I293 T297 A300I293-G295 PolarHBondContact O-N 2.91Å; G295-T297 PolarHBondContact O-N 2.96Å; G295-T297 VanDerWaalsContact O-N 3.09Å; G295-A300 VanDerWaalsContact O-CB 3.23Å; G295-A300 WeakPolarHBondContact O-CB 3.46Å
296S91.3Very high96Very high76 Ų7651.9 Ų51.953%0.53128%0.279SS..  trans-9258.7-162.1-65.70000113I293I293-S296 WeakPolarHBondContact O-CB 3.35Å; I293-S296 PolarHBondContact O-N 2.85Å
297T95.9Very high96Very high41 Ų4153 Ų5325%0.25228%0.283SS..  trans-106.1160.6176.163.80000111.9S111 G295 E299 A300 Q301S111-T297 WeakPolarHBondContact OG-CG2 3.45Å; S111-T297 PolarHBondContact OG-OG1 3.43Å; G295-T297 PolarHBondContact O-N 2.96Å; G295-T297 VanDerWaalsContact O-N 3.09Å; T297-E299 VanDerWaalsContact C-N 3.3Å; T297-E299 WeakPolarHBondContact CB-OE2 3.45Å; T297-A300 PolarHBondContact O-N 2.59Å; T297-A300 WeakPolarHBondContact OG1-CB 3.08Å; T297-A300 PolarHBondContact OG1-N 3.44Å; T297-Q301 WeakPolarHBondContact O-CG 3.4Å; T297-Q301 PolarHBondContact O-N 2.87Å; T297-Q301 VanDerWaalsContact O-N 3.11Å
298Q95.4Very high96Very high158 Ų15852.2 Ų52.274%0.73828%0.279SS*.Hα-helixtrans-64.2-40.1175.8-68.2-176.5-8.500110.8A300 Q301 E302Q298-A300 PolarHBondContact O-N 2.88Å; Q298-Q301 PolarHBondContact O-N 2.8Å; Q298-E302 WeakPolarHBondContact O-CB 3.45Å; Q298-E302 PolarHBondContact O-N 2.86Å
299E96.6Very high95.9Very high116 Ų11650.3 Ų50.354%0.54227%0.268SS..Hα-helixtrans-62.7-41.5177.3-62.378.4-176.700111.4T297 E302 N303T297-E299 VanDerWaalsContact C-N 3.3Å; T297-E299 WeakPolarHBondContact CB-OE2 3.45Å; E299-E302 PolarHBondContact O-N 2.83Å; E299-N303 WeakPolarHBondContact O-CB 3.43Å; E299-N303 PolarHBondContact O-N 3.33Å; E299-N303 PolarHBondContact O-ND2 2.96Å; E299-N303 VanDerWaalsContact O-ND2 3.16Å
300A95.2Very high95.9Very high1 Ų149.3 Ų49.31%0.00827%0.271CS..Hα-helixtrans-64.6-43.2174.600000111.4N108 G295 T297 Q298 E302 N303 I304N108-A300 HydrophobicContact CB-CB 4.03Å; G295-A300 VanDerWaalsContact O-CB 3.23Å; G295-A300 WeakPolarHBondContact O-CB 3.46Å; T297-A300 PolarHBondContact O-N 2.59Å; T297-A300 WeakPolarHBondContact OG1-CB 3.08Å; T297-A300 PolarHBondContact OG1-N 3.44Å; Q298-A300 PolarHBondContact O-N 2.88Å; A300-E302 VanDerWaalsContact C-N 3.29Å; A300-E302 PolarHBondContact O-N 2.8Å; A300-N303 PolarHBondContact O-N 3.26Å; A300-I304 WeakPolarHBondContact O-CB 3.41Å; A300-I304 WeakPolarHBondContact O-CD1 3.21Å; A300-I304 WeakPolarHBondContact O-CG1 3.41Å; A300-I304 PolarHBondContact O-N 3.4Å
301Q94.1Very high95.9Very high44 Ų4449.5 Ų49.521%0.20627%0.27CS..Hα-helixtrans-63.6-37175.8-64.5-52.1-62.300112.1H20 T297 Q298 G305H20-Q301 WeakPolarHBondContact CB-O 3.47Å; T297-Q301 WeakPolarHBondContact O-CG 3.4Å; T297-Q301 PolarHBondContact O-N 2.87Å; T297-Q301 VanDerWaalsContact O-N 3.11Å; Q298-Q301 PolarHBondContact O-N 2.8Å; Q301-G305 PolarHBondContact O-N 2.82Å
302E96.3Very high96Very high67 Ų6744.5 Ų44.531%0.31324%0.238SC..Hα-helixtrans-62.7-51.3174-175.8170.6-16800111.7K22 Q298 E299 A300 I304 G305 L306K22-E302 HydrophobicContact CB-CG 4.29Å; K22-E302 WeakPolarHBondContact CE-OE1 3.19Å; K22-E302 HydrophobicContact CG-CG 3.56Å; K22-E302 WeakPolarHBondContact CG-OE1 3.25Å; Q298-E302 WeakPolarHBondContact O-CB 3.45Å; Q298-E302 PolarHBondContact O-N 2.86Å; E299-E302 PolarHBondContact O-N 2.83Å; A300-E302 VanDerWaalsContact C-N 3.29Å; A300-E302 PolarHBondContact O-N 2.8Å; E302-I304 PolarHBondContact O-N 2.97Å; E302-G305 WeakPolarHBondContact O-CA 3.26Å; E302-G305 PolarHBondContact O-N 3.07Å; E302-G305 VanDerWaalsContact O-N 3.08Å; E302-L306 HydrophobicContact CG-CD1 4.37Å; E302-L306 PolarHBondContact O-N 2.93Å
303N96.5Very high96Very high75 Ų7542 Ų4240%0.40123%0.226SC..Hα-helixtrans-60.7-43.7179.2-71.5-28.6000111.9E299 A300 G305 L306 E307E299-N303 WeakPolarHBondContact O-CB 3.43Å; E299-N303 PolarHBondContact O-N 3.33Å; E299-N303 PolarHBondContact O-ND2 2.96Å; E299-N303 VanDerWaalsContact O-ND2 3.16Å; A300-N303 PolarHBondContact O-N 3.26Å; N303-G305 VanDerWaalsContact C-N 3.29Å; N303-G305 PolarHBondContact O-N 3.42Å; N303-L306 PolarHBondContact O-N 2.81Å; N303-E307 VanDerWaalsContact O-CB 3.31Å; N303-E307 WeakPolarHBondContact O-CB 3.48Å; N303-E307 PolarHBondContact O-N 3.06Å
304I96Very high96.1Very high3 Ų342.6 Ų42.62%0.01523%0.226CC..Hα-helixtrans-57.9-45.6173.2-70.6164.2000110.2F82 I84 A104 S107 A300 E302 L306 E307 V308F82-I304 HydrophobicContact CB-CG2 4.09Å; F82-I304 WeakPolarHBondContact O-CG2 3.13Å; I84-I304 HydrophobicContact CD1-CD1 3.97Å; I84-I304 HydrophobicContact CD1-CG1 4.32Å; A104-I304 HydrophobicContact CB-CB 4.2Å; A104-I304 HydrophobicContact CB-CG1 3.92Å; A104-I304 HydrophobicContact CB-CG2 4.18Å; S107-I304 VanDerWaalsContact CB-CG1 3.5Å; S107-I304 PolarHBondContact OG-N 2.8Å; A300-I304 WeakPolarHBondContact O-CB 3.41Å; A300-I304 WeakPolarHBondContact O-CD1 3.21Å; A300-I304 WeakPolarHBondContact O-CG1 3.41Å; A300-I304 PolarHBondContact O-N 3.4Å; E302-I304 PolarHBondContact O-N 2.97Å; I304-L306 VanDerWaalsContact C-N 3.34Å; I304-L306 PolarHBondContact O-N 2.8Å; I304-E307 PolarHBondContact O-N 2.73Å; I304-V308 HydrophobicContact CG2-CG2 4.24Å; I304-V308 WeakPolarHBondContact O-CB 3.36Å; I304-V308 WeakPolarHBondContact O-CG2 3.29Å; I304-V308 PolarHBondContact O-N 2.78Å
305G96.8Very high96.1Very high0 Ų042.6 Ų42.60%023%0.226CC..Hα-helixtrans-55-47.3176.300000112.8Q301 E302 N303 A309Q301-G305 PolarHBondContact O-N 2.82Å; E302-G305 WeakPolarHBondContact O-CA 3.26Å; E302-G305 PolarHBondContact O-N 3.07Å; E302-G305 VanDerWaalsContact O-N 3.08Å; N303-G305 VanDerWaalsContact C-N 3.29Å; N303-G305 PolarHBondContact O-N 3.42Å; G305-A309 WeakPolarHBondContact O-CB 3.27Å; G305-A309 PolarHBondContact O-N 2.9Å
306L97.2Very high96.2Very high70 Ų7042 Ų4237%0.36622%0.22SC..Hα-helixtrans-68.8-47.1178.4-68171.5000112.2K22 S26 E302 N303 I304 G310K22-L306 HydrophobicContact CB-CD2 3.81Å; K22-L306 HydrophobicContact CB-CG 4Å; K22-L306 HydrophobicContact CG-CD2 4.31Å; K22-L306 HydrophobicContact CG-CG 4.45Å; S26-L306 WeakPolarHBondContact OG-CD2 3.18Å; E302-L306 HydrophobicContact CG-CD1 4.37Å; E302-L306 PolarHBondContact O-N 2.93Å; N303-L306 PolarHBondContact O-N 2.81Å; I304-L306 VanDerWaalsContact C-N 3.34Å; I304-L306 PolarHBondContact O-N 2.8Å; L306-G310 PolarHBondContact O-N 3.15Å
307E97.4Very high96.3Very high55 Ų5541.3 Ų41.326%0.25721%0.21SC..Hα-helixtrans-65.7-50.9-174.3-177.2179166.600111.6A104 S107 N303 I304 G310 K311A104-E307 HydrophobicContact CB-CB 4.05Å; A104-E307 HydrophobicContact CB-CG 4.05Å; A104-E307 VanDerWaalsContact CB-OE2 3.3Å; A104-E307 WeakPolarHBondContact CB-OE2 3.49Å; S107-E307 PolarHBondContact OG-OE2 2.81Å; N303-E307 VanDerWaalsContact O-CB 3.31Å; N303-E307 WeakPolarHBondContact O-CB 3.48Å; N303-E307 PolarHBondContact O-N 3.06Å; I304-E307 PolarHBondContact O-N 2.73Å; E307-G310 PolarHBondContact O-N 2.74Å; E307-K311 HydrophobicContact CG-CD 4.41Å; E307-K311 WeakPolarHBondContact O-CG 3.45Å; E307-K311 PolarHBondContact O-N 3.16Å; E307-K311 VanDerWaalsContact OE1-CE 3.28Å; E307-K311 WeakPolarHBondContact OE1-CE 3.47Å; E307-K311 IonicContact OE1-NZ 2.74Å; E307-K311 PolarHBondContact OE1-NZ 3.36Å
308V98.2Very high96.1Very high0 Ų040.1 Ų40.10%020%0.202CC..Hα-helixtrans-69.4-43.2-177.2-178.70000110.7C81 F82 A104 I304 G310 K311 L312C81-V308 WeakPolarHBondContact O-CG2 3.37Å; F82-V308 HydrophobicContact CD1-CB 3.83Å; F82-V308 HydrophobicContact CD1-CG1 4.15Å; F82-V308 HydrophobicContact CD1-CG2 4.45Å; F82-V308 HydrophobicContact CD2-CB 4.49Å; F82-V308 HydrophobicContact CD2-CG1 3.91Å; F82-V308 HydrophobicContact CE1-CB 3.72Å; F82-V308 HydrophobicContact CE1-CG1 3.96Å; F82-V308 HydrophobicContact CE2-CB 4.37Å; F82-V308 HydrophobicContact CE2-CG1 3.69Å; F82-V308 HydrophobicContact CG-CB 4.23Å; F82-V308 HydrophobicContact CG-CG1 4.14Å; F82-V308 HydrophobicContact CZ-CB 4.01Å; F82-V308 HydrophobicContact CZ-CG1 3.73Å; A104-V308 HydrophobicContact CB-CG2 3.74Å; I304-V308 HydrophobicContact CG2-CG2 4.24Å; I304-V308 WeakPolarHBondContact O-CB 3.36Å; I304-V308 WeakPolarHBondContact O-CG2 3.29Å; I304-V308 PolarHBondContact O-N 2.78Å; V308-G310 VanDerWaalsContact C-N 3.31Å; V308-G310 PolarHBondContact O-N 2.84Å; V308-K311 PolarHBondContact O-N 3.49Å; V308-L312 WeakPolarHBondContact O-CG 3.39Å; V308-L312 PolarHBondContact O-N 3.28Å
309A98.1Very high96.1Very high0 Ų032.6 Ų32.60%017%0.167CC..Hα-helixtrans-59.2-44.4174.400000111.1A23 L27 F82 G305 K311 L312 I313A23-A309 HydrophobicContact CB-CB 4.18Å; L27-A309 HydrophobicContact CG-CB 4.49Å; F82-A309 HydrophobicContact CE1-CB 4.32Å; F82-A309 HydrophobicContact CZ-CB 4.45Å; G305-A309 WeakPolarHBondContact O-CB 3.27Å; G305-A309 PolarHBondContact O-N 2.9Å; A309-K311 VanDerWaalsContact C-N 3.34Å; A309-K311 PolarHBondContact O-N 3.38Å; A309-L312 PolarHBondContact O-N 3.23Å; A309-I313 WeakPolarHBondContact O-CB 3.36Å; A309-I313 WeakPolarHBondContact O-CD1 2.9Å; A309-I313 WeakPolarHBondContact O-CG1 3.37Å; A309-I313 PolarHBondContact O-N 2.79Å
310G97.6Very high96.1Very high33 Ų3327.2 Ų27.234%0.3414%0.142SC..Hα-helixtrans-58.2-41.8175.800000113.2L306 E307 V308 K314L306-G310 PolarHBondContact O-N 3.15Å; E307-G310 PolarHBondContact O-N 2.74Å; V308-G310 VanDerWaalsContact C-N 3.31Å; V308-G310 PolarHBondContact O-N 2.84Å; G310-K314 VanDerWaalsContact O-CB 3.26Å; G310-K314 WeakPolarHBondContact O-CB 3.44Å; G310-K314 PolarHBondContact O-N 2.84Å
311K97.8Very high96.2Very high29 Ų2927.2 Ų27.213%0.12614%0.142CC..Hα-helixtrans-64.4-45.3175.6-71.3173.5-173-1770112.1F102 N103 E307 V308 A309 K314 Y315 S323F102-K311 HydrophobicContact CB-CB 4.12Å; F102-K311 HydrophobicContact CB-CD 4.08Å; F102-K311 HydrophobicContact CD1-CB 3.92Å; F102-K311 HydrophobicContact CD1-CD 4.05Å; F102-K311 HydrophobicContact CD1-CG 4.36Å; F102-K311 HydrophobicContact CE1-CB 4.47Å; F102-K311 HydrophobicContact CG-CB 3.97Å; F102-K311 HydrophobicContact CG-CD 4.41Å; N103-K311 PolarHBondContact O-NZ 3.29Å; E307-K311 HydrophobicContact CG-CD 4.41Å; E307-K311 WeakPolarHBondContact O-CG 3.45Å; E307-K311 PolarHBondContact O-N 3.16Å; E307-K311 VanDerWaalsContact OE1-CE 3.28Å; E307-K311 WeakPolarHBondContact OE1-CE 3.47Å; E307-K311 IonicContact OE1-NZ 2.74Å; E307-K311 PolarHBondContact OE1-NZ 3.36Å; V308-K311 PolarHBondContact O-N 3.49Å; A309-K311 VanDerWaalsContact C-N 3.34Å; A309-K311 PolarHBondContact O-N 3.38Å; K311-K314 PolarHBondContact O-N 2.73Å; K311-Y315 WeakPolarHBondContact O-CB 3.4Å; K311-Y315 PolarHBondContact O-N 2.86Å; K311-S323 WeakPolarHBondContact CD-OG 3.4Å; K311-S323 WeakPolarHBondContact CE-OG 3.4Å; K311-S323 PolarHBondContact NZ-OG 3.27Å
312L97.9Very high96.2Very high0 Ų029.2 Ų29.20%015%0.154CC..Hα-helixtrans-63.2-45.1176.7-63.8-179.8000111.8F13 F56 A78 F82 F102 V308 A309 K314 Y315 S316F13-L312 HydrophobicContact CE1-CB 4.1Å; F13-L312 HydrophobicContact CE1-CD1 4.07Å; F56-L312 HydrophobicContact CD1-CB 4.36Å; F56-L312 HydrophobicContact CD1-CD2 4.1Å; A78-L312 HydrophobicContact CB-CD2 4.01Å; F82-L312 HydrophobicContact CE2-CD1 4.29Å; F82-L312 HydrophobicContact CZ-CD1 4.35Å; F102-L312 HydrophobicContact CD2-CD2 3.78Å; F102-L312 HydrophobicContact CE2-CD2 4.36Å; V308-L312 WeakPolarHBondContact O-CG 3.39Å; V308-L312 PolarHBondContact O-N 3.28Å; A309-L312 PolarHBondContact O-N 3.23Å; L312-K314 PolarHBondContact O-N 3.25Å; L312-Y315 PolarHBondContact O-N 2.87Å; L312-S316 WeakPolarHBondContact O-CB 3.46Å; L312-S316 PolarHBondContact O-N 3.12Å
313I96.3Very high96.1Very high24 Ų2427.9 Ų27.912%0.12315%0.152CC..Hα-helixtrans-58.2-49.4175.5-69.1160.5000109.9L27 A30 Y32 A309 Y315 S316 D317L27-I313 HydrophobicContact CD2-CD1 4.1Å; L27-I313 HydrophobicContact CD2-CG1 3.79Å; A30-I313 HydrophobicContact CB-CD1 3.81Å; A30-I313 HydrophobicContact CB-CG1 4.01Å; A30-I313 HydrophobicContact CB-CG2 3.76Å; Y32-I313 HydrophobicContact CD2-CG1 4.28Å; Y32-I313 HydrophobicContact CE2-CB 4.47Å; Y32-I313 HydrophobicContact CE2-CG1 4.01Å; Y32-I313 HydrophobicContact CE2-CG2 4.31Å; A309-I313 WeakPolarHBondContact O-CB 3.36Å; A309-I313 WeakPolarHBondContact O-CD1 2.9Å; A309-I313 WeakPolarHBondContact O-CG1 3.37Å; A309-I313 PolarHBondContact O-N 2.79Å; I313-Y315 PolarHBondContact O-N 3.32Å; I313-S316 PolarHBondContact O-N 3.02Å; I313-D317 VanDerWaalsContact O-CB 3.29Å; I313-D317 WeakPolarHBondContact O-CB 3.2Å; I313-D317 PolarHBondContact O-N 3.41Å
314K95.3Very high96.1Very high87 Ų8724.7 Ų24.738%0.37814%0.135SC..Hα-helixtrans-61.7-45.7-179-166.8179-178.3179.20111.6G310 K311 L312 D317 N318 G319 S320G310-K314 VanDerWaalsContact O-CB 3.26Å; G310-K314 WeakPolarHBondContact O-CB 3.44Å; G310-K314 PolarHBondContact O-N 2.84Å; K311-K314 PolarHBondContact O-N 2.73Å; L312-K314 PolarHBondContact O-N 3.25Å; K314-D317 PolarHBondContact O-N 2.9Å; K314-N318 PolarHBondContact O-N 3.47Å; K314-N318 PolarHBondContact O-OD1 3.38Å; K314-G319 PolarHBondContact O-N 3.17Å; K314-S320 WeakPolarHBondContact CE-OG 3.06Å
315Y95.8Very high96.1Very high3 Ų327.3 Ų27.31%0.01215%0.151CC..Hα-helixtrans-62.8-44175.6179.4-117.5000111.9F56 V77 A78 P100 F102 K311 L312 I313 D317 G319 S320 T321 M341F56-Y315 HydrophobicContact CE1-CD1 4.24Å; V77-Y315 HydrophobicContact CG1-CD1 4.28Å; V77-Y315 HydrophobicContact CG1-CE1 3.55Å; A78-Y315 HydrophobicContact CB-CD1 3.67Å; A78-Y315 HydrophobicContact CB-CE1 3.85Å; P100-Y315 HydrophobicContact CG-CD1 4.01Å; P100-Y315 HydrophobicContact CG-CD2 4.41Å; P100-Y315 HydrophobicContact CG-CE1 3.53Å; P100-Y315 HydrophobicContact CG-CE2 4.01Å; P100-Y315 HydrophobicContact CG-CG 4.42Å; F102-Y315 HydrophobicContact CE2-CD1 4.39Å; F102-Y315 HydrophobicContact CE2-CG 4.23Å; F102-Y315 HydrophobicContact CZ-CG 4.2Å; K311-Y315 WeakPolarHBondContact O-CB 3.4Å; K311-Y315 PolarHBondContact O-N 2.86Å; L312-Y315 PolarHBondContact O-N 2.87Å; I313-Y315 PolarHBondContact O-N 3.32Å; Y315-D317 PolarHBondContact O-N 3.02Å; Y315-G319 WeakPolarHBondContact O-CA 3.46Å; Y315-G319 PolarHBondContact O-N 2.9Å; Y315-S320 WeakPolarHBondContact CA-O 3.39Å; Y315-S320 WeakPolarHBondContact CB-O 3.37Å; Y315-S320 WeakPolarHBondContact CD2-O 3.21Å; Y315-T321 HydrophobicContact CD2-CG2 3.64Å; Y315-T321 HydrophobicContact CE2-CG2 3.52Å; Y315-M341 HydrophobicContact CD2-CE 4.29Å; Y315-M341 HydrophobicContact CE2-CE 3.45Å; Y315-M341 VanDerWaalsContact CE2-CE 3.45Å
316S94.7Very high96.2Very high1 Ų128.4 Ų28.41%0.00716%0.158CC..Hα-helixtrans-61.6-43.8179.3-173.80000112.6Y32 F56 L312 I313 R407Y32-S316 WeakPolarHBondContact OH-CB 3.46Å; Y32-S316 PolarHBondContact OH-OG 3.27Å; F56-S316 WeakPolarHBondContact CZ-OG 3.29Å; L312-S316 WeakPolarHBondContact O-CB 3.46Å; L312-S316 PolarHBondContact O-N 3.12Å; I313-S316 PolarHBondContact O-N 3.02Å; S316-R407 PolarHBondContact O-NH1 2.84Å; S316-R407 VanDerWaalsContact O-NH1 3.1Å; S316-R407 PolarHBondContact O-NH2 3.23Å; S316-R407 VanDerWaalsContact O-NH2 3.11Å
317D92.7Very high96.1Very high61 Ų6125.6 Ų25.633%0.32614%0.142SC..Hα-helixtrans-83.9-34.6-173-74.5-7000113.3K8 Y32 I313 K314 Y315K8-D317 WeakPolarHBondContact CE-OD1 3.19Å; K8-D317 VanDerWaalsContact NZ-CG 3.29Å; K8-D317 IonicContact NZ-OD1 3.8Å; K8-D317 PolarHBondContact NZ-OD1 2.82Å; K8-D317 IonicContact NZ-OD2 2.72Å; K8-D317 PolarHBondContact NZ-OD2 3.41Å; Y32-D317 PolarHBondContact OH-OD1 3.47Å; I313-D317 VanDerWaalsContact O-CB 3.29Å; I313-D317 WeakPolarHBondContact O-CB 3.2Å; I313-D317 PolarHBondContact O-N 3.41Å; K314-D317 PolarHBondContact O-N 2.9Å; Y315-D317 PolarHBondContact O-N 3.02Å
318N92.8Very high96.1Very high16 Ų1623.3 Ų23.39%0.08613%0.132CC..Hα-helixtrans-134-6.5-174.191.2-8.3000115.5K314 S320 L332 R339K314-N318 PolarHBondContact O-N 3.47Å; K314-N318 PolarHBondContact O-OD1 3.38Å; N318-S320 PolarHBondContact ND2-OG 2.88Å; N318-S320 VanDerWaalsContact OD1-CB 3.25Å; N318-S320 WeakPolarHBondContact OD1-CB 3.31Å; N318-S320 PolarHBondContact OD1-N 3.25Å; N318-S320 PolarHBondContact OD1-OG 2.91Å; N318-L332 PolarHBondContact ND2-O 3.39Å; N318-L332 WeakPolarHBondContact O-CD1 3.47Å; N318-R339 WeakPolarHBondContact O-CD 3.33Å; N318-R339 PolarHBondContact O-NH1 3.38Å
319G94.3Very high95.9Very high0 Ų027.8 Ų27.80%015%0.153CC..  trans84.39.1179.400000116K314 Y315 Y378K314-G319 PolarHBondContact O-N 3.17Å; Y315-G319 WeakPolarHBondContact O-CA 3.46Å; Y315-G319 PolarHBondContact O-N 2.9Å; G319-Y378 PolarHBondContact O-OH 3.24Å
320S96.5Very high95.8Very high3 Ų328.3 Ų28.32%0.02116%0.156CC..  trans-70.2135.2-179.3-58.40000111.3K314 Y315 N318 V330 L332K314-S320 WeakPolarHBondContact CE-OG 3.06Å; Y315-S320 WeakPolarHBondContact CA-O 3.39Å; Y315-S320 WeakPolarHBondContact CB-O 3.37Å; Y315-S320 WeakPolarHBondContact CD2-O 3.21Å; N318-S320 PolarHBondContact ND2-OG 2.88Å; N318-S320 VanDerWaalsContact OD1-CB 3.25Å; N318-S320 WeakPolarHBondContact OD1-CB 3.31Å; N318-S320 PolarHBondContact OD1-N 3.25Å; N318-S320 PolarHBondContact OD1-OG 2.91Å; S320-V330 CarbonylContact C-O 3.55Å; S320-V330 WeakPolarHBondContact CA-O 3.35Å; S320-L332 PolarHBondContact OG-N 2.99Å
321T97.2Very high95.6Very high0 Ų030 Ų300%016%0.163CC..  trans-117.913.9-178.452.10000112.6Y315 S323 A324 F327 P328 V330 Y378Y315-T321 HydrophobicContact CD2-CG2 3.64Å; Y315-T321 HydrophobicContact CE2-CG2 3.52Å; T321-S323 PolarHBondContact O-N 2.94Å; T321-A324 VanDerWaalsContact O-CB 3.24Å; T321-A324 WeakPolarHBondContact O-CB 2.92Å; T321-A324 PolarHBondContact O-N 2.74Å; T321-F327 HydrophobicContact CG2-CD1 3.65Å; T321-F327 HydrophobicContact CG2-CE1 3.87Å; T321-P328 WeakPolarHBondContact CB-O 2.85Å; T321-P328 PolarHBondContact OG1-O 2.8Å; T321-V330 PolarHBondContact N-O 3.38Å; T321-V330 PolarHBondContact OG1-N 2.95Å; T321-Y378 HydrophobicContact CG2-CD1 4.13Å; T321-Y378 HydrophobicContact CG2-CE1 3.63Å
322L94.6Very high95.3Very high87 Ų8729 Ų2946%0.45516%0.159SC..THydrogen-bonded Turntrans-51.3131.7174.8-173.867.6000110.6A324 V330L322-A324 VanDerWaalsContact C-N 3.31Å; L322-A324 PolarHBondContact O-N 2.9Å; L322-V330 PolarHBondContact N-O 2.94Å
323S93.8Very high94.9Very high39 Ų3931.9 Ų31.927%0.27318%0.178SC..THydrogen-bonded Turntrans64.318.5-17571.40000116.7K311 T321 E329K311-S323 WeakPolarHBondContact CD-OG 3.4Å; K311-S323 WeakPolarHBondContact CE-OG 3.4Å; K311-S323 PolarHBondContact NZ-OG 3.27Å; T321-S323 PolarHBondContact O-N 2.94Å; S323-E329 WeakPolarHBondContact CA-OE1 3.46Å; S323-E329 PolarHBondContact N-OE1 3.19Å
324A97.2Very high94.2Very high7 Ų738.8 Ų38.86%0.05821%0.214CC..BIsolated β-bridgetrans-68.9132.7167.200000110.2P100 V101 F102 T321 L322 N326 F327P100-A324 HydrophobicContact CB-CB 3.99Å; V101-A324 CarbonylContact O-C 3.55Å; V101-A324 VanDerWaalsContact O-CA 3.27Å; V101-A324 WeakPolarHBondContact O-CA 3.25Å; F102-A324 HydrophobicContact CD1-CB 4.11Å; F102-A324 HydrophobicContact CE1-CB 3.73Å; F102-A324 HydrophobicContact CZ-CB 4.21Å; T321-A324 VanDerWaalsContact O-CB 3.24Å; T321-A324 WeakPolarHBondContact O-CB 2.92Å; T321-A324 PolarHBondContact O-N 2.74Å; L322-A324 VanDerWaalsContact C-N 3.31Å; L322-A324 PolarHBondContact O-N 2.9Å; A324-N326 PolarHBondContact O-N 3.28Å; A324-F327 HydrophobicContact CB-CB 3.7Å
325V96.6Very high93.2Very high58 Ų5836.8 Ų36.835%0.35221%0.206SC..SBendtrans-81.2-15.2-172.4-61.70000114.2T86 L91 V101 N103T86-V325 HydrophobicContact CG2-CG1 4.38Å; T86-V325 HydrophobicContact CG2-CG2 4.03Å; L91-V325 HydrophobicContact CD1-CG2 4.02Å; L91-V325 HydrophobicContact CD2-CG2 3.69Å; V101-V325 HydrophobicContact CB-CG2 3.76Å; V101-V325 HydrophobicContact CG1-CG2 3.83Å; V101-V325 PolarHBondContact O-N 3.48Å; N103-V325 WeakPolarHBondContact OD1-CG1 3.31Å
326N97.2Very high92Very high24 Ų2440.7 Ų40.713%0.12825%0.247CC..SBendtrans-13011.6-174.474.2-34.3000113.4L91 A95 I99 P100 V101 A324L91-N326 HydrophobicContact CB-CB 3.88Å; L91-N326 HydrophobicContact CD2-CB 4.25Å; L91-N326 HydrophobicContact CG-CB 4.46Å; L91-N326 PolarHBondContact O-ND2 2.99Å; A95-N326 HydrophobicContact CB-CB 4.45Å; A95-N326 PolarHBondContact N-ND2 3.4Å; I99-N326 PolarHBondContact O-ND2 3.08Å; P100-N326 WeakPolarHBondContact CA-OD1 3.41Å; V101-N326 PolarHBondContact N-OD1 2.8Å; A324-N326 PolarHBondContact O-N 3.28Å
327F96.3Very high91.2Very high11 Ų1142.1 Ų42.15%0.04826%0.262CS..SBendtrans-140.7143.5-165.1-154.3-89.7000111.3P100 T321 A324 E329 I343 M376 Y378P100-F327 HydrophobicContact CB-CB 3.8Å; P100-F327 HydrophobicContact CB-CD1 4.3Å; P100-F327 HydrophobicContact CB-CD2 4.08Å; P100-F327 HydrophobicContact CB-CG 3.8Å; T321-F327 HydrophobicContact CG2-CD1 3.65Å; T321-F327 HydrophobicContact CG2-CE1 3.87Å; A324-F327 HydrophobicContact CB-CB 3.7Å; F327-E329 PolarHBondContact O-N 2.9Å; F327-I343 HydrophobicContact CE2-CD1 4.04Å; F327-I343 HydrophobicContact CE2-CG2 3.95Å; F327-I343 HydrophobicContact CZ-CB 4.38Å; F327-I343 HydrophobicContact CZ-CD1 3.56Å; F327-I343 HydrophobicContact CZ-CG1 3.8Å; F327-I343 HydrophobicContact CZ-CG2 3.72Å; F327-M376 HydrophobicContact CD2-CE 3.23Å; F327-M376 HydrophobicContact CD2-SD 4.06Å; F327-M376 HydrophobicContact CE2-CE 3.32Å; F327-M376 HydrophobicContact CE2-SD 3.47Å; F327-M376 WeakPolarHBondContact CE2-SD 3.43Å; F327-M376 HydrophobicContact CG-CE 3.97Å; F327-M376 HydrophobicContact CZ-CE 4.13Å; F327-M376 HydrophobicContact CZ-SD 4.03Å; F327-Y378 HydrophobicContact CD1-CD1 4.4Å; F327-Y378 AromaticContact CE1-CD1 3.72Å; F327-Y378 HydrophobicContact CE1-CD1 3.72Å; F327-Y378 AromaticContact CE1-CD2 3.96Å; F327-Y378 HydrophobicContact CE1-CD2 3.96Å; F327-Y378 HydrophobicContact CE1-CE1 4.32Å; F327-Y378 AromaticContact CE1-CG 3.52Å; F327-Y378 HydrophobicContact CE1-CG 3.52Å; F327-Y378 HydrophobicContact CZ-CD2 4.26Å; F327-Y378 HydrophobicContact CZ-CG 4.18Å
328P96.9Very high91.2Very high7 Ų742 Ų425%0.04526%0.257CS..  trans-55.3126175.9-24.231.6000111.7T321 Q371T321-P328 WeakPolarHBondContact CB-O 2.85Å; T321-P328 PolarHBondContact OG1-O 2.8Å; P328-Q371 HydrophobicContact CB-CB 3.79Å; P328-Q371 HydrophobicContact CB-CG 3.87Å; P328-Q371 WeakPolarHBondContact CB-O 3.45Å
329E95.2Very high91.2Very high94 Ų9441.2 Ų41.244%0.43925%0.253SS..  trans-82.8119.4-175-63.8-177.277.300111.2S323 F327S323-E329 WeakPolarHBondContact CA-OE1 3.46Å; S323-E329 PolarHBondContact N-OE1 3.19Å; F327-E329 PolarHBondContact O-N 2.9Å
330V95.1Very high91.3Very high10 Ų1041.2 Ų41.26%0.06125%0.253CS..  trans-129.4126.9175.2-177.10000109.2S320 T321 L322 L332 Y369 Q371 Y378S320-V330 CarbonylContact C-O 3.55Å; S320-V330 WeakPolarHBondContact CA-O 3.35Å; T321-V330 PolarHBondContact N-O 3.38Å; T321-V330 PolarHBondContact OG1-N 2.95Å; L322-V330 PolarHBondContact N-O 2.94Å; V330-L332 HydrophobicContact CG1-CD2 3.48Å; V330-L332 VanDerWaalsContact CG1-CD2 3.48Å; V330-L332 HydrophobicContact CG1-CG 3.92Å; V330-Y369 HydrophobicContact CG1-CG 4.42Å; V330-Q371 HydrophobicContact CG2-CB 3.72Å; V330-Y378 HydrophobicContact CB-CD1 4.09Å; V330-Y378 HydrophobicContact CB-CE1 4.05Å; V330-Y378 HydrophobicContact CG2-CD1 3.63Å; V330-Y378 HydrophobicContact CG2-CE1 4.1Å
331S92.8Very high91.2Very high68 Ų6841.3 Ų41.348%0.47625%0.253SS..  trans-102.8122.2172.7-173.20000109.5
332L92.5Very high91.3Very high9 Ų941.3 Ų41.35%0.04725%0.253CS..  trans-114.8141.4-171.1-56.5162.8000111.4N318 S320 V330 R339 Y369 V380N318-L332 PolarHBondContact ND2-O 3.39Å; N318-L332 WeakPolarHBondContact O-CD1 3.47Å; S320-L332 PolarHBondContact OG-N 2.99Å; V330-L332 HydrophobicContact CG1-CD2 3.48Å; V330-L332 VanDerWaalsContact CG1-CD2 3.48Å; V330-L332 HydrophobicContact CG1-CG 3.92Å; L332-R339 VanDerWaalsContact CB-NH1 3.31Å; L332-Y369 HydrophobicContact CD2-CD1 4.27Å; L332-Y369 HydrophobicContact CD2-CD2 3.38Å; L332-Y369 HydrophobicContact CD2-CE2 4.05Å; L332-Y369 HydrophobicContact CD2-CG 3.51Å; L332-V380 HydrophobicContact CD1-CB 4.31Å; L332-V380 HydrophobicContact CD1-CG1 3.96Å; L332-V380 HydrophobicContact CD1-CG2 3.96Å; L332-V380 HydrophobicContact CD2-CB 3.86Å; L332-V380 HydrophobicContact CD2-CG1 3.94Å; L332-V380 HydrophobicContact CD2-CG2 4.12Å
333P88.6Confident91.4Very high61 Ų6137.3 Ų37.340%0.39623%0.232SC..  trans-70.8168.5170.432.4-35000111.2R339 Y369P333-R339 PolarHBondContact O-NH1 2.88Å; P333-R339 PolarHBondContact O-NH2 3.5Å; P333-Y369 WeakPolarHBondContact CD-OH 3.35Å; P333-Y369 HydrophobicContact CG-CE2 4.47Å; P333-Y369 WeakPolarHBondContact CG-OH 3.28Å
334L81.1Confident91.6Very high168 Ų16835.7 Ų35.788%0.8822%0.22SC*.  trans-59.7145162.4-66.8173.2000109.3
335H74.3Confident91.6Very high45 Ų4539.7 Ų39.721%0.20824%0.238CC..  trans-131.9145.8179.570.5-60.6000109.2G337 R339H335-G337 PolarHBondContact CD2-O 3.34Å; H335-R339 VanDerWaalsContact CD2-CB 3.48Å; H335-R339 WeakPolarHBondContact CD2-CB 3.32Å; H335-R339 VanDerWaalsContact NE2-CB 3.26Å; H335-R339 WeakPolarHBondContact NE2-CB 3.37Å
336G70.9Confident91.5Very high86 Ų8640.2 Ų40.289%0.88724%0.239SC*.SBendtrans-105.31.6173.900000113.8
337G79.7Confident91.4Very high31 Ų3143.7 Ų43.732%0.3225%0.25SC..SBendtrans-109.1-151.7-174.600000113.1H335H335-G337 PolarHBondContact CD2-O 3.34Å
338R91Very high91.4Very high58 Ų5849.6 Ų49.622%0.21929%0.289CS..EExtended strand (participates in β ladder)trans-100.9127.5175.9-61.3-62.5173.6-118.7-1109.6D382 I383 A385 A390 L408 Y410R338-D382 WeakPolarHBondContact O-CA 3.46Å; R338-I383 HydrophobicContact CB-CD1 4.38Å; R338-I383 HydrophobicContact CB-CG1 3.82Å; R338-I383 PolarHBondContact N-O 3.39Å; R338-I383 PolarHBondContact O-N 3.25Å; R338-A385 WeakPolarHBondContact CG-O 3.48Å; R338-A390 HydrophobicContact CB-CB 3.98Å; R338-A390 HydrophobicContact CG-CB 3.94Å; R338-L408 HydrophobicContact CB-CD1 4.09Å; R338-Y410 PolarHBondContact NH1-OXT 3.29Å
339R94.3Very high91.3Very high0 Ų051.5 Ų51.50%031%0.31CS..EExtended strand (participates in β ladder)trans-112121.3-178.7169.4168.2-72.5173.25.4110.7N318 L332 P333 H335 V380 D382 L408 L409N318-R339 WeakPolarHBondContact O-CD 3.33Å; N318-R339 PolarHBondContact O-NH1 3.38Å; L332-R339 VanDerWaalsContact CB-NH1 3.31Å; P333-R339 PolarHBondContact O-NH1 2.88Å; P333-R339 PolarHBondContact O-NH2 3.5Å; H335-R339 VanDerWaalsContact CD2-CB 3.48Å; H335-R339 WeakPolarHBondContact CD2-CB 3.32Å; H335-R339 VanDerWaalsContact NE2-CB 3.26Å; H335-R339 WeakPolarHBondContact NE2-CB 3.37Å; R339-V380 VanDerWaalsContact CD-CG1 3.47Å; R339-V380 HydrophobicContact CG-CG1 3.49Å; R339-V380 VanDerWaalsContact CG-CG1 3.49Å; R339-D382 VanDerWaalsContact CB-OD1 3.29Å; R339-D382 WeakPolarHBondContact CB-OD1 3.44Å; R339-D382 WeakPolarHBondContact CG-OD1 3.09Å; R339-D382 IonicContact CZ-OD1 2.82Å; R339-D382 IonicContact CZ-OD2 3.25Å; R339-D382 IonicContact NE-OD1 2.88Å; R339-D382 PolarHBondContact NE-OD1 3.48Å; R339-D382 IonicContact NE-OD2 2.97Å; R339-D382 IonicContact NH2-OD1 3.42Å; R339-D382 PolarHBondContact NH2-OD1 3.28Å; R339-D382 IonicContact NH2-OD2 3.58Å; R339-D382 PolarHBondContact NH2-OD2 3.49Å; R339-L408 CarbonylContact O-C 3.57Å; R339-L408 WeakPolarHBondContact O-CA 3.44Å; R339-L409 HydrophobicContact CB-CB 4.08Å; R339-L409 HydrophobicContact CG-CB 4.39Å; R339-L409 HydrophobicContact CG-CD1 4.45Å; R339-L409 PolarHBondContact N-O 3.27Å; R339-L409 PolarHBondContact O-N 3.18Å
340L95.3Very high91.4Very high0 Ų047.3 Ų47.30%029%0.291CS..EExtended strand (participates in β ladder)trans-105.5120.6176.6-72.9159.9000109.8F358 V380 I381 I383 A393 L394 M397 R407 L408L340-F358 HydrophobicContact CD1-CE1 3.57Å; L340-F358 HydrophobicContact CD1-CZ 3.72Å; L340-V380 CarbonylContact O-C 3.52Å; L340-V380 WeakPolarHBondContact O-CA 3.27Å; L340-I381 PolarHBondContact N-O 3.15Å; L340-I381 PolarHBondContact O-N 2.91Å; L340-I383 HydrophobicContact CD1-CD1 3.62Å; L340-I383 HydrophobicContact CD1-CG1 4.34Å; L340-A393 HydrophobicContact CD1-CB 3.98Å; L340-L394 HydrophobicContact CD2-CB 3.83Å; L340-L394 HydrophobicContact CD2-CD1 4.05Å; L340-M397 HydrophobicContact CB-CE 3.96Å; L340-M397 HydrophobicContact CB-SD 3.88Å; L340-M397 HydrophobicContact CD1-SD 3.81Å; L340-M397 HydrophobicContact CD2-SD 3.95Å; L340-M397 HydrophobicContact CG-SD 4.1Å; L340-R407 WeakPolarHBondContact CA-O 3.01Å; L340-L408 HydrophobicContact CD2-CB 3.95Å; L340-L408 HydrophobicContact CD2-CD1 3.75Å; L340-L408 HydrophobicContact CD2-CG 4.39Å; L340-L408 HydrophobicContact CG-CD1 3.97Å
341M95.8Very high91.3Very high4 Ų449.6 Ų49.62%0.0230%0.302CS..EExtended strand (participates in β ladder)trans-97.8134.6173.8-64.4163.268.300109Y315 Y378 V380 A406 R407 L409Y315-M341 HydrophobicContact CD2-CE 4.29Å; Y315-M341 HydrophobicContact CE2-CE 3.45Å; Y315-M341 VanDerWaalsContact CE2-CE 3.45Å; M341-Y378 HydrophobicContact CB-CE2 4.09Å; M341-Y378 HydrophobicContact CE-CE2 4.26Å; M341-Y378 WeakPolarHBondContact CE-OH 3.21Å; M341-Y378 HydrophobicContact CG-CE2 4.42Å; M341-V380 HydrophobicContact CG-CG1 4.5Å; M341-V380 HydrophobicContact CG-CG2 4.32Å; M341-A406 CarbonylContact O-C 3.55Å; M341-A406 WeakPolarHBondContact O-CA 3.46Å; M341-R407 HydrophobicContact CB-CB 4.31Å; M341-R407 PolarHBondContact N-O 3.26Å; M341-R407 PolarHBondContact O-N 3.48Å; M341-R407 HydrophobicContact SD-CB 4.36Å; M341-L409 HydrophobicContact CG-CD1 4.47Å; M341-L409 HydrophobicContact SD-CD1 3.53Å; M341-L409 VanDerWaalsContact SD-CD1 3.53Å; M341-L409 HydrophobicContact SD-CG 3.91Å
342H97.5Very high91.5Very high0 Ų051.2 Ų51.20%031%0.31CS..EExtended strand (participates in β ladder)trans-136.4115.5179.5-166.7-99.1000111.7H344 L354 V379 M397 T403H342-H344 AromaticContact ND1-CG 3.73Å; H342-H344 AromaticContact ND1-ND1 3.28Å; H342-H344 PolarHBondContact ND1-ND1 3.29Å; H342-H344 PolarHBondContact O-ND1 2.9Å; H342-L354 HydrophobicContact CB-CD1 4.44Å; H342-L354 HydrophobicContact CB-CD2 4.49Å; H342-V379 HydrophobicContact CB-CG1 3.68Å; H342-V379 PolarHBondContact N-O 3.1Å; H342-V379 PolarHBondContact O-N 2.79Å; H342-M397 HydrophobicContact CB-CE 3.5Å; H342-M397 PolarHBondContact NE2-O 3.13Å; H342-T403 PolarHBondContact CE1-OG1 3.43Å; H342-T403 VanDerWaalsContact NE2-CG2 3.34Å; H342-T403 WeakPolarHBondContact NE2-CG2 3.49Å; H342-T403 PolarHBondContact NE2-OG1 2.95Å
343I97.6Very high91.7Very high4 Ų452.4 Ų52.42%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-105.3126.1176.4-48178.3000107G98 F327 M376 Y378 I404 R405G98-I343 WeakPolarHBondContact O-CD1 3.47Å; F327-I343 HydrophobicContact CE2-CD1 4.04Å; F327-I343 HydrophobicContact CE2-CG2 3.95Å; F327-I343 HydrophobicContact CZ-CB 4.38Å; F327-I343 HydrophobicContact CZ-CD1 3.56Å; F327-I343 HydrophobicContact CZ-CG1 3.8Å; F327-I343 HydrophobicContact CZ-CG2 3.72Å; I343-M376 HydrophobicContact CG2-CG 3.94Å; I343-M376 HydrophobicContact CG2-SD 3.37Å; I343-M376 WeakPolarHBondContact CG2-SD 3.39Å; I343-Y378 HydrophobicContact CG1-CD2 3.89Å; I343-Y378 HydrophobicContact CG1-CE2 4.22Å; I343-I404 HydrophobicContact CB-CB 4.43Å; I343-I404 HydrophobicContact CG2-CB 4.15Å; I343-I404 HydrophobicContact CG2-CD1 4.27Å; I343-I404 HydrophobicContact CG2-CG2 4.42Å; I343-I404 PolarHBondContact O-N 3.18Å; I343-R405 HydrophobicContact CB-CB 4.26Å; I343-R405 HydrophobicContact CD1-CB 4.16Å; I343-R405 HydrophobicContact CG1-CB 4.44Å; I343-R405 PolarHBondContact N-O 3.02Å; I343-R405 PolarHBondContact O-N 3.04Å; I343-R405 VanDerWaalsContact O-N 3.1Å
344H97.6Very high92.1Very high5 Ų549.5 Ų49.52%0.02330%0.302CS..EExtended strand (participates in β ladder)trans-145.4158.4-173.554.7-78.1000111.5H342 V350 M376 G377 G402H342-H344 AromaticContact ND1-CG 3.73Å; H342-H344 AromaticContact ND1-ND1 3.28Å; H342-H344 PolarHBondContact ND1-ND1 3.29Å; H342-H344 PolarHBondContact O-ND1 2.9Å; H344-V350 HydrophobicContact CB-CG1 4.1Å; H344-V350 VanDerWaalsContact CD2-CG1 3.47Å; H344-V350 WeakPolarHBondContact CD2-CG1 3.42Å; H344-M376 CarbonylContact O-C 3.55Å; H344-M376 WeakPolarHBondContact O-CA 3.5Å; H344-M376 WeakPolarHBondContact O-CG 3.39Å; H344-G377 VanDerWaalsContact CE1-C 3.42Å; H344-G377 PolarHBondContact CE1-O 2.9Å; H344-G377 PolarHBondContact N-O 3.42Å; H344-G377 PolarHBondContact ND1-O 3.36Å; H344-G377 VanDerWaalsContact ND1-O 3.08Å; H344-G377 PolarHBondContact O-N 3.23Å; H344-G402 CarbonylContact C-O 3.57Å; H344-G402 VanDerWaalsContact CA-O 3.28Å; H344-G402 WeakPolarHBondContact CA-O 3.49Å
345E96.7Very high92.8Very high90 Ų9044.4 Ų44.442%0.42128%0.275SS..EExtended strand (participates in β ladder)trans-61.4136.3165.7-64.1-179.2-12600110R347 Q375 G402 I404E345-R347 PolarHBondContact O-N 2.7Å; E345-R347 IonicContact OE1-CZ 3.92Å; E345-R347 IonicContact OE1-NH2 3.03Å; E345-R347 PolarHBondContact OE1-NH2 3.21Å; E345-R347 IonicContact OE2-CZ 3.9Å; E345-R347 IonicContact OE2-NE 3.71Å; E345-R347 IonicContact OE2-NH2 3.95Å; E345-R347 PolarHBondContact OE2-NH2 2.88Å; E345-Q375 WeakPolarHBondContact CA-O 3.25Å; E345-G402 PolarHBondContact N-O 3.18Å; E345-I404 HydrophobicContact CG-CD1 4.29Å; E345-I404 HydrophobicContact CG-CG1 4.3Å
346N95.6Very high93.8Very high70 Ų7048 Ų4837%0.37429%0.29SS..SBendtrans-72.888.6-179.7-173.516.8000110.7S373 Q375N346-S373 PolarHBondContact ND2-O 3.4Å; N346-Q375 PolarHBondContact N-O 2.83Å
347R94.4Very high95Very high97 Ų9744.7 Ų44.737%0.36625%0.252SS..  trans-135.2152.3179.965.5176.765.8171.5-4.8112.1E345 V350E345-R347 PolarHBondContact O-N 2.7Å; E345-R347 IonicContact OE1-CZ 3.92Å; E345-R347 IonicContact OE1-NH2 3.03Å; E345-R347 PolarHBondContact OE1-NH2 3.21Å; E345-R347 IonicContact OE2-CZ 3.9Å; E345-R347 IonicContact OE2-NE 3.71Å; E345-R347 IonicContact OE2-NH2 3.95Å; E345-R347 PolarHBondContact OE2-NH2 2.88Å; R347-V350 HydrophobicContact CG-CG2 3.65Å
348P95.9Very high95.8Very high135 Ų13543.2 Ų43.288%0.87724%0.237SC*.THydrogen-bonded Turntrans-57.1144.3177-2534.7000113.1
349G95.8Very high95.9Very high46 Ų4644 Ų4447%0.47426%0.256SS..THydrogen-bonded Turntrans91.4-11.217100000116.3L351 T352 A353G349-L351 PolarHBondContact O-N 2.76Å; G349-T352 WeakPolarHBondContact O-CB 3.32Å; G349-T352 PolarHBondContact O-N 2.92Å; G349-A353 PolarHBondContact O-N 2.99Å
350V96.5Very high95.9Very high6 Ų650.7 Ų50.74%0.03629%0.287CS..Hα-helixtrans-62-46.4-179.1178.50000112H344 R347 T352 A353 L354 I400H344-V350 HydrophobicContact CB-CG1 4.1Å; H344-V350 VanDerWaalsContact CD2-CG1 3.47Å; H344-V350 WeakPolarHBondContact CD2-CG1 3.42Å; R347-V350 HydrophobicContact CG-CG2 3.65Å; V350-T352 VanDerWaalsContact C-N 3.31Å; V350-T352 PolarHBondContact O-N 3.34Å; V350-A353 WeakPolarHBondContact O-CB 3.42Å; V350-A353 PolarHBondContact O-N 3.44Å; V350-L354 HydrophobicContact CG1-CD1 4.09Å; V350-L354 HydrophobicContact CG1-CG 4.42Å; V350-L354 WeakPolarHBondContact O-CG 3.48Å; V350-L354 PolarHBondContact O-N 3.46Å; V350-I400 HydrophobicContact CG1-CG2 4.45Å
351L94.5Very high95.7Very high58 Ų5854.2 Ų54.230%0.30430%0.304SS..Hα-helixtrans-63.2-37.5177.9-62.9178000112.5G349 A353 L354 N355 L370 V379G349-L351 PolarHBondContact O-N 2.76Å; L351-A353 VanDerWaalsContact C-N 3.34Å; L351-L354 HydrophobicContact CD2-CD1 4.31Å; L351-L354 PolarHBondContact O-N 3.34Å; L351-N355 WeakPolarHBondContact O-CB 3.37Å; L351-N355 PolarHBondContact O-N 2.8Å; L351-L370 HydrophobicContact CD1-CD2 3.45Å; L351-L370 VanDerWaalsContact CD1-CD2 3.45Å; L351-L370 HydrophobicContact CD2-CD1 4.27Å; L351-L370 HydrophobicContact CD2-CD2 4.01Å; L351-L370 HydrophobicContact CG-CD2 4.29Å; L351-V379 HydrophobicContact CD2-CB 4.49Å; L351-V379 HydrophobicContact CD2-CG1 4.43Å; L351-V379 HydrophobicContact CD2-CG2 4.42Å
352T96.6Very high95.6Very high103 Ų10357.4 Ų57.463%0.63234%0.338SS*.Hα-helixtrans-62.7-44.2175-54.10000110.7G349 V350 N355 K356G349-T352 WeakPolarHBondContact O-CB 3.32Å; G349-T352 PolarHBondContact O-N 2.92Å; V350-T352 VanDerWaalsContact C-N 3.31Å; V350-T352 PolarHBondContact O-N 3.34Å; T352-N355 PolarHBondContact O-N 3.41Å; T352-K356 VanDerWaalsContact O-CB 3.25Å; T352-K356 WeakPolarHBondContact O-CB 3.17Å; T352-K356 PolarHBondContact O-N 3.15Å
353A97Very high95.3Very high34 Ų3458.3 Ų58.328%0.28134%0.343SS..Hα-helixtrans-62.2-42.9176.200000111.7G349 V350 L351 K356 I357 I400G349-A353 PolarHBondContact O-N 2.99Å; V350-A353 WeakPolarHBondContact O-CB 3.42Å; V350-A353 PolarHBondContact O-N 3.44Å; L351-A353 VanDerWaalsContact C-N 3.34Å; A353-K356 PolarHBondContact O-N 3.23Å; A353-I357 WeakPolarHBondContact O-CG1 3.44Å; A353-I357 PolarHBondContact O-N 3.41Å; A353-I400 HydrophobicContact CB-CD1 3.92Å; A353-I400 HydrophobicContact CB-CG1 4.17Å; A353-I400 HydrophobicContact CB-CG2 4.09Å
354L95.8Very high95.1Very high0 Ų062.4 Ų62.40%037%0.365CS..Hα-helixtrans-61.4-52.8175.7-71.8170.7000112.1H342 V350 L351 K356 I357 F358 V379 I381 M397 I400H342-L354 HydrophobicContact CB-CD1 4.44Å; H342-L354 HydrophobicContact CB-CD2 4.49Å; V350-L354 HydrophobicContact CG1-CD1 4.09Å; V350-L354 HydrophobicContact CG1-CG 4.42Å; V350-L354 WeakPolarHBondContact O-CG 3.48Å; V350-L354 PolarHBondContact O-N 3.46Å; L351-L354 HydrophobicContact CD2-CD1 4.31Å; L351-L354 PolarHBondContact O-N 3.34Å; L354-K356 PolarHBondContact O-N 2.96Å; L354-I357 WeakPolarHBondContact O-CB 3.24Å; L354-I357 PolarHBondContact O-N 3.39Å; L354-I357 VanDerWaalsContact O-N 3.13Å; L354-F358 WeakPolarHBondContact O-CD2 3.34Å; L354-F358 WeakPolarHBondContact O-CE2 3.32Å; L354-V379 HydrophobicContact CD1-CG1 3.49Å; L354-V379 VanDerWaalsContact CD1-CG1 3.49Å; L354-I381 HydrophobicContact CB-CD1 4.41Å; L354-I381 HydrophobicContact CD1-CD1 4.44Å; L354-M397 HydrophobicContact CD2-CB 4.26Å; L354-M397 HydrophobicContact CD2-CE 3.87Å; L354-M397 HydrophobicContact CD2-CG 3.64Å; L354-M397 HydrophobicContact CD2-SD 4.34Å; L354-I400 HydrophobicContact CD2-CD1 3.46Å; L354-I400 VanDerWaalsContact CD2-CD1 3.46Å; L354-I400 HydrophobicContact CG-CD1 3.77Å
355N95.7Very high95Very high60 Ų6064.5 Ų64.532%0.32138%0.376SS..Hα-helixtrans-63.7-32.1-178.6-69.8-12.2000112L351 T352 F358 A359 Q368L351-N355 WeakPolarHBondContact O-CB 3.37Å; L351-N355 PolarHBondContact O-N 2.8Å; T352-N355 PolarHBondContact O-N 3.41Å; N355-F358 PolarHBondContact O-N 3.23Å; N355-A359 WeakPolarHBondContact O-CB 3.31Å; N355-A359 PolarHBondContact O-N 3.18Å; N355-Q368 PolarHBondContact OD1-NE2 3.17Å
356K96.7Very high94.8Very high120 Ų12063.1 Ų63.152%0.52238%0.38SS..Hα-helixtrans-62.6-41.5174.5-176.2176.8174.8-176.90112.3T352 A353 L354 F358 A359 E360T352-K356 VanDerWaalsContact O-CB 3.25Å; T352-K356 WeakPolarHBondContact O-CB 3.17Å; T352-K356 PolarHBondContact O-N 3.15Å; A353-K356 PolarHBondContact O-N 3.23Å; L354-K356 PolarHBondContact O-N 2.96Å; K356-F358 VanDerWaalsContact C-N 3.3Å; K356-F358 PolarHBondContact O-N 2.83Å; K356-A359 PolarHBondContact O-N 2.62Å; K356-E360 WeakPolarHBondContact CE-OE1 3.27Å; K356-E360 HydrophobicContact CG-CG 4.18Å; K356-E360 IonicContact NZ-OE1 3.63Å; K356-E360 WeakPolarHBondContact O-CB 3.23Å; K356-E360 WeakPolarHBondContact O-CG 3.2Å; K356-E360 PolarHBondContact O-N 2.98Å
357I96Very high94.8Very high17 Ų1760.9 Ų60.99%0.08737%0.371CS..Hα-helixtrans-55.4-46.9176.6-68.4166000110.7A353 L354 Q361 A393 A396 M397 I400A353-I357 WeakPolarHBondContact O-CG1 3.44Å; A353-I357 PolarHBondContact O-N 3.41Å; L354-I357 WeakPolarHBondContact O-CB 3.24Å; L354-I357 PolarHBondContact O-N 3.39Å; L354-I357 VanDerWaalsContact O-N 3.13Å; I357-Q361 WeakPolarHBondContact O-CG 3.26Å; I357-Q361 PolarHBondContact O-N 3.31Å; I357-A393 HydrophobicContact CG2-CB 4.16Å; I357-A396 HydrophobicContact CD1-CB 3.7Å; I357-A396 HydrophobicContact CG1-CB 3.94Å; I357-A396 HydrophobicContact CG2-CB 3.85Å; I357-M397 HydrophobicContact CD1-CG 3.99Å; I357-I400 HydrophobicContact CD1-CD1 3.74Å; I357-I400 HydrophobicContact CD1-CG1 4.16Å
358F95Very high94.8Very high1 Ų160 Ų600%0.00437%0.371CS..Hα-helixtrans-71.6-41.5-179.1-57.6-65000112.1L340 L354 N355 K356 E360 Q361 G362 V363 I365 I381 I383 A393 M397L340-F358 HydrophobicContact CD1-CE1 3.57Å; L340-F358 HydrophobicContact CD1-CZ 3.72Å; L354-F358 WeakPolarHBondContact O-CD2 3.34Å; L354-F358 WeakPolarHBondContact O-CE2 3.32Å; N355-F358 PolarHBondContact O-N 3.23Å; K356-F358 VanDerWaalsContact C-N 3.3Å; K356-F358 PolarHBondContact O-N 2.83Å; F358-E360 PolarHBondContact O-N 2.89Å; F358-Q361 PolarHBondContact O-N 3.32Å; F358-G362 PolarHBondContact O-N 3.43Å; F358-G362 VanDerWaalsContact O-N 3.14Å; F358-V363 HydrophobicContact CB-CB 4.28Å; F358-V363 HydrophobicContact CD1-CB 4.34Å; F358-V363 HydrophobicContact CD1-CG1 4.07Å; F358-V363 PolarHBondContact O-N 3.29Å; F358-I365 HydrophobicContact CB-CD1 4.27Å; F358-I365 HydrophobicContact CB-CG1 4.25Å; F358-I365 HydrophobicContact CD2-CD1 3.81Å; F358-I365 HydrophobicContact CD2-CG1 4.2Å; F358-I365 HydrophobicContact CG-CD1 4.23Å; F358-I365 HydrophobicContact CG-CG1 4.22Å; F358-I381 HydrophobicContact CE2-CD1 3.53Å; F358-I381 HydrophobicContact CE2-CG2 4.04Å; F358-I381 HydrophobicContact CZ-CD1 4.05Å; F358-I381 HydrophobicContact CZ-CG2 4.17Å; F358-I383 HydrophobicContact CD1-CG2 3.93Å; F358-I383 HydrophobicContact CE1-CD1 4.19Å; F358-I383 HydrophobicContact CE1-CG2 3.72Å; F358-I383 HydrophobicContact CZ-CG2 4.25Å; F358-A393 HydrophobicContact CD1-CB 4.39Å; F358-A393 HydrophobicContact CE1-CB 3.8Å; F358-M397 HydrophobicContact CZ-SD 3.96Å
359A94.5Very high94.8Very high75 Ų7557 Ų5762%0.6234%0.343SS*.Hα-helixtrans-61.1-42.8177.900000112.6N355 K356 Q361 G362N355-A359 WeakPolarHBondContact O-CB 3.31Å; N355-A359 PolarHBondContact O-N 3.18Å; K356-A359 PolarHBondContact O-N 2.62Å; A359-Q361 VanDerWaalsContact C-N 3.27Å; A359-Q361 PolarHBondContact O-N 3.27Å; A359-G362 PolarHBondContact O-N 2.84Å; A359-G362 VanDerWaalsContact O-N 3.17Å
360E94.1Very high94.7Very high139 Ų13958 Ų5865%0.6534%0.337SS*.Hα-helixtrans-68-25.9179.1-72.7179.5158.200113.2K356 F358K356-E360 WeakPolarHBondContact CE-OE1 3.27Å; K356-E360 HydrophobicContact CG-CG 4.18Å; K356-E360 IonicContact NZ-OE1 3.63Å; K356-E360 WeakPolarHBondContact O-CB 3.23Å; K356-E360 WeakPolarHBondContact O-CG 3.2Å; K356-E360 PolarHBondContact O-N 2.98Å; F358-E360 PolarHBondContact O-N 2.89Å
361Q91.3Very high94.7Very high74 Ų7462.5 Ų62.535%0.34636%0.358SS..THydrogen-bonded Turntrans-91.1-1.8175.8-64.6-179.331.400113.1I357 F358 A359 V363I357-Q361 WeakPolarHBondContact O-CG 3.26Å; I357-Q361 PolarHBondContact O-N 3.31Å; F358-Q361 PolarHBondContact O-N 3.32Å; A359-Q361 VanDerWaalsContact C-N 3.27Å; A359-Q361 PolarHBondContact O-N 3.27Å; Q361-V363 HydrophobicContact CB-CG2 3.79Å; Q361-V363 PolarHBondContact O-N 3.4Å
362G91.9Very high94.8Very high71 Ų7163.1 Ų63.173%0.73236%0.364SS*.THydrogen-bonded Turntrans64.326.4-174.700000113.5F358 A359F358-G362 PolarHBondContact O-N 3.43Å; F358-G362 VanDerWaalsContact O-N 3.14Å; A359-G362 PolarHBondContact O-N 2.84Å; A359-G362 VanDerWaalsContact O-N 3.17Å
363V93.1Very high94.6Very high19 Ų1960.6 Ų60.612%0.11535%0.35CS..  trans-89.6128.3-177.51730000110.2F358 Q361 I383 A385 V389F358-V363 HydrophobicContact CB-CB 4.28Å; F358-V363 HydrophobicContact CD1-CB 4.34Å; F358-V363 HydrophobicContact CD1-CG1 4.07Å; F358-V363 PolarHBondContact O-N 3.29Å; Q361-V363 HydrophobicContact CB-CG2 3.79Å; Q361-V363 PolarHBondContact O-N 3.4Å; V363-I383 HydrophobicContact CG1-CB 3.74Å; V363-I383 HydrophobicContact CG1-CD1 4.14Å; V363-I383 HydrophobicContact CG1-CG1 4.44Å; V363-I383 HydrophobicContact CG1-CG2 4.09Å; V363-A385 HydrophobicContact CG1-CB 4Å; V363-A385 HydrophobicContact CG2-CB 4.24Å; V363-V389 HydrophobicContact CG2-CG1 3.36Å
364N93.4Very high94.4Very high90 Ų9063.6 Ų63.648%0.48138%0.375SS..EExtended strand (participates in β ladder)trans-79.5138174.1-172.944.5000111.3I383 E384N364-I383 WeakPolarHBondContact O-CA 3.34Å; N364-E384 HydrophobicContact CB-CB 4.42Å; N364-E384 PolarHBondContact ND2-OE2 3.22Å; N364-E384 PolarHBondContact O-N 2.84Å
365I94.5Very high94.3Very high50 Ų5070.1 Ų70.126%0.25641%0.406SS..EExtended strand (participates in β ladder)trans-95111.5172.8-62.1172.7000107.5F358 A367 Q368 I381 D382 I383F358-I365 HydrophobicContact CB-CD1 4.27Å; F358-I365 HydrophobicContact CB-CG1 4.25Å; F358-I365 HydrophobicContact CD2-CD1 3.81Å; F358-I365 HydrophobicContact CD2-CG1 4.2Å; F358-I365 HydrophobicContact CG-CD1 4.23Å; F358-I365 HydrophobicContact CG-CG1 4.22Å; I365-A367 WeakPolarHBondContact CG2-O 3.49Å; I365-Q368 HydrophobicContact CG2-CB 4.27Å; I365-I381 HydrophobicContact CB-CG2 4.43Å; I365-I381 HydrophobicContact CD1-CG2 4.23Å; I365-I381 HydrophobicContact CG1-CG2 4.03Å; I365-I381 HydrophobicContact CG2-CG2 3.68Å; I365-D382 CarbonylContact C-O 3.54Å; I365-I383 HydrophobicContact CG1-CG2 4.45Å
366A93.3Very high94.3Very high61 Ų6167.6 Ų67.650%0.50439%0.392SS..EExtended strand (participates in β ladder)trans-75.5-35.7178.600000112.2D382 E384A366-D382 HydrophobicContact CB-CB 4.42Å; A366-D382 PolarHBondContact N-O 2.91Å; A366-E384 HydrophobicContact CB-CG 4.19Å
367A94.2Very high94.3Very high22 Ų2261.9 Ų61.918%0.18237%0.367CS..EExtended strand (participates in β ladder)trans-155.5152.8175.800000111.3I365 Y369 I381 D382I365-A367 WeakPolarHBondContact CG2-O 3.49Å; A367-Y369 HydrophobicContact CB-CE2 3.61Å; A367-I381 WeakPolarHBondContact O-CA 3.45Å; A367-D382 HydrophobicContact CB-CB 4.13Å; A367-D382 PolarHBondContact N-O 2.89Å; A367-D382 PolarHBondContact O-N 3.19Å
368Q94.7Very high94.4Very high79 Ų7961 Ų6137%0.36936%0.363SS..EExtended strand (participates in β ladder)trans-140.4129.4174-175.5170.653.300109.6N355 I365 V379 V380 I381N355-Q368 PolarHBondContact OD1-NE2 3.17Å; I365-Q368 HydrophobicContact CG2-CB 4.27Å; Q368-V379 HydrophobicContact CG-CG2 3.71Å; Q368-V380 CarbonylContact C-O 3.44Å; Q368-V380 WeakPolarHBondContact CA-O 3.16Å; Q368-I381 HydrophobicContact CG-CG1 4.26Å
369Y95.7Very high94.5Very high71 Ų7161 Ų6128%0.27836%0.363SS..EExtended strand (participates in β ladder)trans-124.7123178.9-53.6-88.7000108.3V330 L332 P333 A367 V379 V380V330-Y369 HydrophobicContact CG1-CG 4.42Å; L332-Y369 HydrophobicContact CD2-CD1 4.27Å; L332-Y369 HydrophobicContact CD2-CD2 3.38Å; L332-Y369 HydrophobicContact CD2-CE2 4.05Å; L332-Y369 HydrophobicContact CD2-CG 3.51Å; P333-Y369 WeakPolarHBondContact CD-OH 3.35Å; P333-Y369 HydrophobicContact CG-CE2 4.47Å; P333-Y369 WeakPolarHBondContact CG-OH 3.28Å; A367-Y369 HydrophobicContact CB-CE2 3.61Å; Y369-V379 CarbonylContact O-C 3.53Å; Y369-V379 VanDerWaalsContact O-CA 3.27Å; Y369-V379 WeakPolarHBondContact O-CA 3.47Å; Y369-V380 PolarHBondContact N-O 3.29Å; Y369-V380 PolarHBondContact O-N 3Å
370L94.9Very high94.6Very high68 Ų6857.4 Ų57.436%0.35633%0.333SS..EExtended strand (participates in β ladder)trans-133.4135.4-175.9167.670.6000109.5L351 T372 Y378 V379L351-L370 HydrophobicContact CD1-CD2 3.45Å; L351-L370 VanDerWaalsContact CD1-CD2 3.45Å; L351-L370 HydrophobicContact CD2-CD1 4.27Å; L351-L370 HydrophobicContact CD2-CD2 4.01Å; L351-L370 HydrophobicContact CG-CD2 4.29Å; L370-T372 HydrophobicContact CD1-CG2 3.96Å; L370-T372 HydrophobicContact CG-CG2 4.47Å; L370-Y378 WeakPolarHBondContact CA-O 3.41Å; L370-V379 HydrophobicContact CB-CB 4.38Å; L370-V379 HydrophobicContact CB-CG2 4.2Å; L370-V379 HydrophobicContact CD1-CB 3.9Å
371Q96.2Very high94.7Very high101 Ų10150.8 Ų50.847%0.47230%0.302SS..EExtended strand (participates in β ladder)trans-138.6146.6164.7-168.679.2-28.600108.4P328 V330 Y378P328-Q371 HydrophobicContact CB-CB 3.79Å; P328-Q371 HydrophobicContact CB-CG 3.87Å; P328-Q371 WeakPolarHBondContact CB-O 3.45Å; V330-Q371 HydrophobicContact CG2-CB 3.72Å; Q371-Y378 PolarHBondContact N-O 3.19Å; Q371-Y378 VanDerWaalsContact N-O 3.07Å; Q371-Y378 PolarHBondContact O-N 3.44Å
372T95.6Very high94.9Very high70 Ų7048 Ų4843%0.42929%0.289SS..EExtended strand (participates in β ladder)trans-126.2151.4176.562.80000111L370 M376L370-T372 HydrophobicContact CD1-CG2 3.96Å; L370-T372 HydrophobicContact CG-CG2 4.47Å; T372-M376 CarbonylContact C-O 3.32Å; T372-M376 WeakPolarHBondContact CA-O 3.47Å
373S93.8Very high95Very high50 Ų5044.7 Ų44.735%0.3526%0.255SS..  trans-108.9-178.9161.774.10000109.1N346 Q375 M376N346-S373 PolarHBondContact ND2-O 3.4Å; S373-Q375 PolarHBondContact O-N 3.21Å; S373-Q375 VanDerWaalsContact O-N 3.15Å; S373-M376 PolarHBondContact N-O 3.45Å; S373-M376 PolarHBondContact OG-N 3.16Å; S373-M376 PolarHBondContact OG-O 3.02Å
374A92.6Very high95Very high97 Ų9749.9 Ų49.980%0.80228%0.278SS*.SBendtrans-56.1-32.6178.800000113.5
375Q93.8Very high94.8Very high137 Ų13746.7 Ų46.764%0.6427%0.265SS*.SBendtrans-113.2-19.6-173-61.8-177.97.900114E345 N346 S373E345-Q375 WeakPolarHBondContact CA-O 3.25Å; N346-Q375 PolarHBondContact N-O 2.83Å; S373-Q375 PolarHBondContact O-N 3.21Å; S373-Q375 VanDerWaalsContact O-N 3.15Å
376M95.7Very high94.6Very high7 Ų750.6 Ų50.63%0.03429%0.286CS..EExtended strand (participates in β ladder)trans-138.3140.8-169.1177.716457.100112.2A95 F327 I343 H344 T372 S373 I404A95-M376 HydrophobicContact CB-CE 4.2Å; F327-M376 HydrophobicContact CD2-CE 3.23Å; F327-M376 HydrophobicContact CD2-SD 4.06Å; F327-M376 HydrophobicContact CE2-CE 3.32Å; F327-M376 HydrophobicContact CE2-SD 3.47Å; F327-M376 WeakPolarHBondContact CE2-SD 3.43Å; F327-M376 HydrophobicContact CG-CE 3.97Å; F327-M376 HydrophobicContact CZ-CE 4.13Å; F327-M376 HydrophobicContact CZ-SD 4.03Å; I343-M376 HydrophobicContact CG2-CG 3.94Å; I343-M376 HydrophobicContact CG2-SD 3.37Å; I343-M376 WeakPolarHBondContact CG2-SD 3.39Å; H344-M376 CarbonylContact O-C 3.55Å; H344-M376 WeakPolarHBondContact O-CA 3.5Å; H344-M376 WeakPolarHBondContact O-CG 3.39Å; T372-M376 CarbonylContact C-O 3.32Å; T372-M376 WeakPolarHBondContact CA-O 3.47Å; S373-M376 PolarHBondContact N-O 3.45Å; S373-M376 PolarHBondContact OG-N 3.16Å; S373-M376 PolarHBondContact OG-O 3.02Å; M376-I404 HydrophobicContact CG-CD1 4.39Å; M376-I404 HydrophobicContact SD-CD1 4.19Å
377G96.9Very high94.4Very high0 Ų050 Ų500%027%0.273CS..EExtended strand (participates in β ladder)trans-108.6141.5166.400000111.1H344H344-G377 VanDerWaalsContact CE1-C 3.42Å; H344-G377 PolarHBondContact CE1-O 2.9Å; H344-G377 PolarHBondContact N-O 3.42Å; H344-G377 PolarHBondContact ND1-O 3.36Å; H344-G377 VanDerWaalsContact ND1-O 3.08Å; H344-G377 PolarHBondContact O-N 3.23Å
378Y97.8Very high94.3Very high0 Ų054.2 Ų54.20%029%0.292CS..EExtended strand (participates in β ladder)trans-124.6117.1170.8178.2-134.6000109.5G319 T321 F327 V330 M341 I343 L370 Q371 V380G319-Y378 PolarHBondContact O-OH 3.24Å; T321-Y378 HydrophobicContact CG2-CD1 4.13Å; T321-Y378 HydrophobicContact CG2-CE1 3.63Å; F327-Y378 HydrophobicContact CD1-CD1 4.4Å; F327-Y378 AromaticContact CE1-CD1 3.72Å; F327-Y378 HydrophobicContact CE1-CD1 3.72Å; F327-Y378 AromaticContact CE1-CD2 3.96Å; F327-Y378 HydrophobicContact CE1-CD2 3.96Å; F327-Y378 HydrophobicContact CE1-CE1 4.32Å; F327-Y378 AromaticContact CE1-CG 3.52Å; F327-Y378 HydrophobicContact CE1-CG 3.52Å; F327-Y378 HydrophobicContact CZ-CD2 4.26Å; F327-Y378 HydrophobicContact CZ-CG 4.18Å; V330-Y378 HydrophobicContact CB-CD1 4.09Å; V330-Y378 HydrophobicContact CB-CE1 4.05Å; V330-Y378 HydrophobicContact CG2-CD1 3.63Å; V330-Y378 HydrophobicContact CG2-CE1 4.1Å; M341-Y378 HydrophobicContact CB-CE2 4.09Å; M341-Y378 HydrophobicContact CE-CE2 4.26Å; M341-Y378 WeakPolarHBondContact CE-OH 3.21Å; M341-Y378 HydrophobicContact CG-CE2 4.42Å; I343-Y378 HydrophobicContact CG1-CD2 3.89Å; I343-Y378 HydrophobicContact CG1-CE2 4.22Å; L370-Y378 WeakPolarHBondContact CA-O 3.41Å; Q371-Y378 PolarHBondContact N-O 3.19Å; Q371-Y378 VanDerWaalsContact N-O 3.07Å; Q371-Y378 PolarHBondContact O-N 3.44Å; Y378-V380 HydrophobicContact CD1-CG2 4.46Å; Y378-V380 HydrophobicContact CE1-CG2 3.68Å; Y378-V380 HydrophobicContact CE2-CG2 3.75Å; Y378-V380 WeakPolarHBondContact OH-CG2 3.48Å
379V97.1Very high94.2Very high0 Ų052.6 Ų52.60%029%0.288CS..EExtended strand (participates in β ladder)trans-122.8136.9176.161.50000110.8H342 L351 L354 Q368 Y369 L370 I381H342-V379 HydrophobicContact CB-CG1 3.68Å; H342-V379 PolarHBondContact N-O 3.1Å; H342-V379 PolarHBondContact O-N 2.79Å; L351-V379 HydrophobicContact CD2-CB 4.49Å; L351-V379 HydrophobicContact CD2-CG1 4.43Å; L351-V379 HydrophobicContact CD2-CG2 4.42Å; L354-V379 HydrophobicContact CD1-CG1 3.49Å; L354-V379 VanDerWaalsContact CD1-CG1 3.49Å; Q368-V379 HydrophobicContact CG-CG2 3.71Å; Y369-V379 CarbonylContact O-C 3.53Å; Y369-V379 VanDerWaalsContact O-CA 3.27Å; Y369-V379 WeakPolarHBondContact O-CA 3.47Å; L370-V379 HydrophobicContact CB-CB 4.38Å; L370-V379 HydrophobicContact CB-CG2 4.2Å; L370-V379 HydrophobicContact CD1-CB 3.9Å; V379-I381 HydrophobicContact CG2-CD1 4.24Å; V379-I381 HydrophobicContact CG2-CG1 3.83Å
380V96.5Very high94.1Very high0 Ų049.2 Ų49.20%027%0.274CS..EExtended strand (participates in β ladder)trans-118.8128.1174.9-175.10000108L332 R339 L340 M341 Q368 Y369 Y378L332-V380 HydrophobicContact CD1-CB 4.31Å; L332-V380 HydrophobicContact CD1-CG1 3.96Å; L332-V380 HydrophobicContact CD1-CG2 3.96Å; L332-V380 HydrophobicContact CD2-CB 3.86Å; L332-V380 HydrophobicContact CD2-CG1 3.94Å; L332-V380 HydrophobicContact CD2-CG2 4.12Å; R339-V380 VanDerWaalsContact CD-CG1 3.47Å; R339-V380 HydrophobicContact CG-CG1 3.49Å; R339-V380 VanDerWaalsContact CG-CG1 3.49Å; L340-V380 CarbonylContact O-C 3.52Å; L340-V380 WeakPolarHBondContact O-CA 3.27Å; M341-V380 HydrophobicContact CG-CG1 4.5Å; M341-V380 HydrophobicContact CG-CG2 4.32Å; Q368-V380 CarbonylContact C-O 3.44Å; Q368-V380 WeakPolarHBondContact CA-O 3.16Å; Y369-V380 PolarHBondContact N-O 3.29Å; Y369-V380 PolarHBondContact O-N 3Å; Y378-V380 HydrophobicContact CD1-CG2 4.46Å; Y378-V380 HydrophobicContact CE1-CG2 3.68Å; Y378-V380 HydrophobicContact CE2-CG2 3.75Å; Y378-V380 WeakPolarHBondContact OH-CG2 3.48Å
381I95.6Very high94Very high0 Ų050.1 Ų50.10%028%0.277CS..EExtended strand (participates in β ladder)trans-126.8116.2-172.4-49.3179.6000107.8L340 L354 F358 I365 A367 Q368 V379 I383L340-I381 PolarHBondContact N-O 3.15Å; L340-I381 PolarHBondContact O-N 2.91Å; L354-I381 HydrophobicContact CB-CD1 4.41Å; L354-I381 HydrophobicContact CD1-CD1 4.44Å; F358-I381 HydrophobicContact CE2-CD1 3.53Å; F358-I381 HydrophobicContact CE2-CG2 4.04Å; F358-I381 HydrophobicContact CZ-CD1 4.05Å; F358-I381 HydrophobicContact CZ-CG2 4.17Å; I365-I381 HydrophobicContact CB-CG2 4.43Å; I365-I381 HydrophobicContact CD1-CG2 4.23Å; I365-I381 HydrophobicContact CG1-CG2 4.03Å; I365-I381 HydrophobicContact CG2-CG2 3.68Å; A367-I381 WeakPolarHBondContact O-CA 3.45Å; Q368-I381 HydrophobicContact CG-CG1 4.26Å; V379-I381 HydrophobicContact CG2-CD1 4.24Å; V379-I381 HydrophobicContact CG2-CG1 3.83Å; I381-I383 HydrophobicContact CG2-CG2 3.78Å
382D95Very high93.9Very high14 Ų1451.8 Ų51.88%0.07528%0.282CS..EExtended strand (participates in β ladder)trans-90.9125.7171.6-65.2-23.8000108.1R338 R339 I365 A366 A367R338-D382 WeakPolarHBondContact O-CA 3.46Å; R339-D382 VanDerWaalsContact CB-OD1 3.29Å; R339-D382 WeakPolarHBondContact CB-OD1 3.44Å; R339-D382 WeakPolarHBondContact CG-OD1 3.09Å; R339-D382 IonicContact CZ-OD1 2.82Å; R339-D382 IonicContact CZ-OD2 3.25Å; R339-D382 IonicContact NE-OD1 2.88Å; R339-D382 PolarHBondContact NE-OD1 3.48Å; R339-D382 IonicContact NE-OD2 2.97Å; R339-D382 IonicContact NH2-OD1 3.42Å; R339-D382 PolarHBondContact NH2-OD1 3.28Å; R339-D382 IonicContact NH2-OD2 3.58Å; R339-D382 PolarHBondContact NH2-OD2 3.49Å; I365-D382 CarbonylContact C-O 3.54Å; A366-D382 HydrophobicContact CB-CB 4.42Å; A366-D382 PolarHBondContact N-O 2.91Å; A367-D382 HydrophobicContact CB-CB 4.13Å; A367-D382 PolarHBondContact N-O 2.89Å; A367-D382 PolarHBondContact O-N 3.19Å
383I94.4Very high93.9Very high3 Ų348.4 Ų48.42%0.01526%0.262CS..EExtended strand (participates in β ladder)trans-121.5148.8-176.764.7171000112R338 L340 F358 V363 N364 I365 I381 A385 A390R338-I383 HydrophobicContact CB-CD1 4.38Å; R338-I383 HydrophobicContact CB-CG1 3.82Å; R338-I383 PolarHBondContact N-O 3.39Å; R338-I383 PolarHBondContact O-N 3.25Å; L340-I383 HydrophobicContact CD1-CD1 3.62Å; L340-I383 HydrophobicContact CD1-CG1 4.34Å; F358-I383 HydrophobicContact CD1-CG2 3.93Å; F358-I383 HydrophobicContact CE1-CD1 4.19Å; F358-I383 HydrophobicContact CE1-CG2 3.72Å; F358-I383 HydrophobicContact CZ-CG2 4.25Å; V363-I383 HydrophobicContact CG1-CB 3.74Å; V363-I383 HydrophobicContact CG1-CD1 4.14Å; V363-I383 HydrophobicContact CG1-CG1 4.44Å; V363-I383 HydrophobicContact CG1-CG2 4.09Å; N364-I383 WeakPolarHBondContact O-CA 3.34Å; I365-I383 HydrophobicContact CG1-CG2 4.45Å; I381-I383 HydrophobicContact CG2-CG2 3.78Å; I383-A385 HydrophobicContact CD1-CB 3.77Å; I383-A385 HydrophobicContact CG1-CB 4.13Å; I383-A385 PolarHBondContact O-N 3.37Å; I383-A390 HydrophobicContact CD1-CB 3.99Å
384E92.5Very high93.9Very high127 Ų12747 Ų4759%0.59325%0.25SC*.EExtended strand (participates in β ladder)trans-94.283.7171.3-67.2172.8170.100108.6N364 A366N364-E384 HydrophobicContact CB-CB 4.42Å; N364-E384 PolarHBondContact ND2-OE2 3.22Å; N364-E384 PolarHBondContact O-N 2.84Å; A366-E384 HydrophobicContact CB-CG 4.19Å
385A90.7Very high94.1Very high24 Ų2447.8 Ų47.820%0.19824%0.237CC..  trans-149.6152.6-177.500000112.3R338 V363 I383 V389R338-A385 WeakPolarHBondContact CG-O 3.48Å; V363-A385 HydrophobicContact CG1-CB 4Å; V363-A385 HydrophobicContact CG2-CB 4.24Å; I383-A385 HydrophobicContact CD1-CB 3.77Å; I383-A385 HydrophobicContact CG1-CB 4.13Å; I383-A385 PolarHBondContact O-N 3.37Å; A385-V389 HydrophobicContact CB-CB 4.02Å; A385-V389 HydrophobicContact CB-CG1 3.88Å
386D90.5Very high94.2Very high132 Ų13243 Ų4371%0.70622%0.221SC*.  trans-67.6162.9170.2-67.2-36.6000111.6D388 V389 A390D386-D388 PolarHBondContact O-N 3.1Å; D386-V389 PolarHBondContact O-N 2.69Å; D386-V389 VanDerWaalsContact O-N 3.15Å; D386-A390 PolarHBondContact O-N 3.16Å
387E89Confident94.2Very high48 Ų4842.6 Ų42.622%0.22422%0.219CC..Hα-helixtrans-52.1-50.5-177.9179.7170.2-168.700112.3K3 V389 A390 E391 Y410K3-E387 VanDerWaalsContact CD-OE1 3.25Å; K3-E387 WeakPolarHBondContact CD-OE1 3.22Å; K3-E387 VanDerWaalsContact NZ-CD 3.31Å; K3-E387 IonicContact NZ-OE1 2.7Å; K3-E387 PolarHBondContact NZ-OE1 2.8Å; K3-E387 IonicContact NZ-OE2 2.6Å; K3-E387 PolarHBondContact NZ-OE2 3.37Å; E387-V389 VanDerWaalsContact C-N 3.26Å; E387-V389 PolarHBondContact O-N 3.43Å; E387-A390 PolarHBondContact O-N 3.03Å; E387-E391 WeakPolarHBondContact O-CG 3.41Å; E387-E391 PolarHBondContact O-N 3.04Å; E387-Y410 HydrophobicContact CB-CE1 4.43Å; E387-Y410 HydrophobicContact CG-CE1 3.83Å
388D91.4Very high94.2Very high111 Ų11147.4 Ų47.459%0.59424%0.24SC*.Hα-helixtrans-61.7-33.1-178.2-65.4-16.2000113.2D386 K392D386-D388 PolarHBondContact O-N 3.1Å; D388-K392 VanDerWaalsContact O-CG 3.27Å; D388-K392 WeakPolarHBondContact O-CG 3.3Å; D388-K392 PolarHBondContact O-N 3.03Å
389V92.7Very high94.1Very high45 Ų4551.1 Ų51.127%0.27327%0.27SS..Hα-helixtrans-76.1-43.2179.1178.50000109.8V363 A385 D386 E387 E391 K392 A393V363-V389 HydrophobicContact CG2-CG1 3.36Å; A385-V389 HydrophobicContact CB-CB 4.02Å; A385-V389 HydrophobicContact CB-CG1 3.88Å; D386-V389 PolarHBondContact O-N 2.69Å; D386-V389 VanDerWaalsContact O-N 3.15Å; E387-V389 VanDerWaalsContact C-N 3.26Å; E387-V389 PolarHBondContact O-N 3.43Å; V389-E391 VanDerWaalsContact C-N 3.33Å; V389-E391 PolarHBondContact O-N 3.4Å; V389-K392 PolarHBondContact O-N 3.43Å; V389-A393 WeakPolarHBondContact O-CB 3.49Å; V389-A393 PolarHBondContact O-N 3.41Å
390A93Very high94.1Very high0 Ų052 Ų520%028%0.275CS..Hα-helixtrans-62.1-39175.400000112.4R338 I383 D386 E387 A393 L394 L408R338-A390 HydrophobicContact CB-CB 3.98Å; R338-A390 HydrophobicContact CG-CB 3.94Å; I383-A390 HydrophobicContact CD1-CB 3.99Å; D386-A390 PolarHBondContact O-N 3.16Å; E387-A390 PolarHBondContact O-N 3.03Å; A390-A393 PolarHBondContact O-N 3.05Å; A390-L394 PolarHBondContact O-N 3.17Å; A390-L408 HydrophobicContact CB-CD1 3.93Å; A390-L408 HydrophobicContact CB-CD2 3.92Å
391E93.3Very high94.1Very high86 Ų8656.9 Ų56.940%0.40231%0.306SS..Hα-helixtrans-65.7-42.6175-74.6-172.9-175.700112.4E387 V389 L394 Q395 L408 Y410E387-E391 WeakPolarHBondContact O-CG 3.41Å; E387-E391 PolarHBondContact O-N 3.04Å; V389-E391 VanDerWaalsContact C-N 3.33Å; V389-E391 PolarHBondContact O-N 3.4Å; E391-L394 WeakPolarHBondContact O-CB 3.41Å; E391-L394 PolarHBondContact O-N 3.14Å; E391-Q395 WeakPolarHBondContact O-CG 3.44Å; E391-Q395 PolarHBondContact O-N 3.46Å; E391-L408 HydrophobicContact CG-CD2 4.12Å; E391-Y410 PolarHBondContact OE1-OH 3.03Å
392K94.3Very high94.1Very high136 Ų13657.5 Ų57.559%0.59131%0.313SS*.Hα-helixtrans-62.3-43.4174.2-75.2170.9-174.6171.30111.7D388 V389 L394 Q395 A396D388-K392 VanDerWaalsContact O-CG 3.27Å; D388-K392 WeakPolarHBondContact O-CG 3.3Å; D388-K392 PolarHBondContact O-N 3.03Å; V389-K392 PolarHBondContact O-N 3.43Å; K392-L394 VanDerWaalsContact C-N 3.34Å; K392-L394 PolarHBondContact O-N 3.39Å; K392-Q395 PolarHBondContact O-N 2.94Å; K392-A396 PolarHBondContact O-N 2.83Å
393A95Very high94.2Very high0 Ų058.4 Ų58.40%032%0.319CS..Hα-helixtrans-59-4517400000111.2L340 I357 F358 V389 A390 Q395 A396 M397L340-A393 HydrophobicContact CD1-CB 3.98Å; I357-A393 HydrophobicContact CG2-CB 4.16Å; F358-A393 HydrophobicContact CD1-CB 4.39Å; F358-A393 HydrophobicContact CE1-CB 3.8Å; V389-A393 WeakPolarHBondContact O-CB 3.49Å; V389-A393 PolarHBondContact O-N 3.41Å; A390-A393 PolarHBondContact O-N 3.05Å; A393-Q395 VanDerWaalsContact C-N 3.35Å; A393-Q395 PolarHBondContact O-N 2.86Å; A393-A396 PolarHBondContact O-N 2.87Å; A393-M397 WeakPolarHBondContact O-CB 3.28Å; A393-M397 WeakPolarHBondContact O-CG 3.38Å; A393-M397 PolarHBondContact O-N 2.6Å
394L95.1Very high94.3Very high19 Ų1960.7 Ų60.710%0.09933%0.331CS..Hα-helixtrans-56.8-44.7175.5177.665.7000112.5L340 A390 E391 K392 M397 K398 A406 L408L340-L394 HydrophobicContact CD2-CB 3.83Å; L340-L394 HydrophobicContact CD2-CD1 4.05Å; A390-L394 PolarHBondContact O-N 3.17Å; E391-L394 WeakPolarHBondContact O-CB 3.41Å; E391-L394 PolarHBondContact O-N 3.14Å; K392-L394 VanDerWaalsContact C-N 3.34Å; K392-L394 PolarHBondContact O-N 3.39Å; L394-M397 PolarHBondContact O-N 3.24Å; L394-K398 WeakPolarHBondContact O-CG 3.25Å; L394-K398 PolarHBondContact O-N 3.4Å; L394-A406 HydrophobicContact CD1-CB 3.68Å; L394-L408 HydrophobicContact CD2-CB 3.89Å
395Q95.9Very high94.4Very high115 Ų11557.5 Ų57.554%0.53731%0.313SS..Hα-helixtrans-65.6-41.6178.4-62.7-56.4-26.900111.9E391 K392 A393 M397 K398 A399E391-Q395 WeakPolarHBondContact O-CG 3.44Å; E391-Q395 PolarHBondContact O-N 3.46Å; K392-Q395 PolarHBondContact O-N 2.94Å; A393-Q395 VanDerWaalsContact C-N 3.35Å; A393-Q395 PolarHBondContact O-N 2.86Å; Q395-M397 VanDerWaalsContact C-N 3.33Å; Q395-M397 PolarHBondContact O-N 3.37Å; Q395-K398 PolarHBondContact O-N 3.45Å; Q395-A399 PolarHBondContact O-N 3.31Å
396A96.1Very high94.6Very high35 Ų3556.9 Ų56.929%0.28931%0.308SS..Hα-helixtrans-63.6-39.7175.600000111.8I357 K392 A393 A399I357-A396 HydrophobicContact CD1-CB 3.7Å; I357-A396 HydrophobicContact CG1-CB 3.94Å; I357-A396 HydrophobicContact CG2-CB 3.85Å; K392-A396 PolarHBondContact O-N 2.83Å; A393-A396 PolarHBondContact O-N 2.87Å; A396-A399 PolarHBondContact O-N 2.97Å
397M96Very high94.8Very high0 Ų052.8 Ų52.80%028%0.283CS..Hα-helixtrans-61-46175.4-71.2171.562.500111.3L340 H342 L354 I357 F358 A393 L394 Q395 A399 I400 T403 A406L340-M397 HydrophobicContact CB-CE 3.96Å; L340-M397 HydrophobicContact CB-SD 3.88Å; L340-M397 HydrophobicContact CD1-SD 3.81Å; L340-M397 HydrophobicContact CD2-SD 3.95Å; L340-M397 HydrophobicContact CG-SD 4.1Å; H342-M397 HydrophobicContact CB-CE 3.5Å; H342-M397 PolarHBondContact NE2-O 3.13Å; L354-M397 HydrophobicContact CD2-CB 4.26Å; L354-M397 HydrophobicContact CD2-CE 3.87Å; L354-M397 HydrophobicContact CD2-CG 3.64Å; L354-M397 HydrophobicContact CD2-SD 4.34Å; I357-M397 HydrophobicContact CD1-CG 3.99Å; F358-M397 HydrophobicContact CZ-SD 3.96Å; A393-M397 WeakPolarHBondContact O-CB 3.28Å; A393-M397 WeakPolarHBondContact O-CG 3.38Å; A393-M397 PolarHBondContact O-N 2.6Å; L394-M397 PolarHBondContact O-N 3.24Å; Q395-M397 VanDerWaalsContact C-N 3.33Å; Q395-M397 PolarHBondContact O-N 3.37Å; M397-A399 PolarHBondContact O-N 3.25Å; M397-A399 VanDerWaalsContact O-N 3.16Å; M397-I400 WeakPolarHBondContact O-CB 3.36Å; M397-I400 WeakPolarHBondContact O-CG1 3.46Å; M397-I400 PolarHBondContact O-N 3.29Å; M397-T403 PolarHBondContact O-OG1 3.36Å; M397-T403 VanDerWaalsContact O-OG1 3.1Å; M397-A406 HydrophobicContact CB-CB 4.38Å
398K96.4Very high94.9Very high101 Ų10150.9 Ų50.944%0.43927%0.274SS..Hα-helixtrans-58.3-28.6176.2-72.6176.7179.8177.90113.4L394 Q395 I400 A406L394-K398 WeakPolarHBondContact O-CG 3.25Å; L394-K398 PolarHBondContact O-N 3.4Å; Q395-K398 PolarHBondContact O-N 3.45Å; K398-I400 VanDerWaalsContact C-N 3.33Å; K398-A406 HydrophobicContact CG-CB 3.87Å
399A96.7Very high94.9Very high77 Ų7745.9 Ų45.964%0.63625%0.247SC*.THydrogen-bonded Turntrans-81.7-8179.800000113.8Q395 A396 M397 P401Q395-A399 PolarHBondContact O-N 3.31Å; A396-A399 PolarHBondContact O-N 2.97Å; M397-A399 PolarHBondContact O-N 3.25Å; M397-A399 VanDerWaalsContact O-N 3.16Å; A399-P401 WeakPolarHBondContact O-CD 3.47Å
400I96.7Very high94.3Very high18 Ų1845.9 Ų45.99%0.09224%0.243CC..SBendtrans-66.5127177.8-63.5172.6000109.2V350 A353 L354 I357 M397 K398 G402 T403V350-I400 HydrophobicContact CG1-CG2 4.45Å; A353-I400 HydrophobicContact CB-CD1 3.92Å; A353-I400 HydrophobicContact CB-CG1 4.17Å; A353-I400 HydrophobicContact CB-CG2 4.09Å; L354-I400 HydrophobicContact CD2-CD1 3.46Å; L354-I400 VanDerWaalsContact CD2-CD1 3.46Å; L354-I400 HydrophobicContact CG-CD1 3.77Å; I357-I400 HydrophobicContact CD1-CD1 3.74Å; I357-I400 HydrophobicContact CD1-CG1 4.16Å; M397-I400 WeakPolarHBondContact O-CB 3.36Å; M397-I400 WeakPolarHBondContact O-CG1 3.46Å; M397-I400 PolarHBondContact O-N 3.29Å; K398-I400 VanDerWaalsContact C-N 3.33Å; I400-G402 PolarHBondContact O-N 2.92Å; I400-T403 WeakPolarHBondContact CB-OG1 3.37Å; I400-T403 VanDerWaalsContact O-CB 3.3Å; I400-T403 WeakPolarHBondContact O-CB 3.38Å; I400-T403 PolarHBondContact O-N 2.97Å; I400-T403 PolarHBondContact O-OG1 2.64Å
401P96.1Very high94.4Very high103 Ų10348.2 Ų48.267%0.66926%0.255SS*.THydrogen-bonded Turntrans-57.9126.5176.1-26.535.4000112.8A399A399-P401 WeakPolarHBondContact O-CD 3.47Å
402G95Very high94.4Very high13 Ų1346.2 Ų46.213%0.13425%0.247CC..THydrogen-bonded Turntrans92.14.3-175.400000114.3H344 E345 I400 I404H344-G402 CarbonylContact C-O 3.57Å; H344-G402 VanDerWaalsContact CA-O 3.28Å; H344-G402 WeakPolarHBondContact CA-O 3.49Å; E345-G402 PolarHBondContact N-O 3.18Å; I400-G402 PolarHBondContact O-N 2.92Å; G402-I404 PolarHBondContact O-N 3.28Å
403T97.3Very high94.4Very high33 Ų3341.2 Ų41.220%0.20223%0.228CC..EExtended strand (participates in β ladder)trans-68.3123.9170-56.30000110.2H342 M397 I400 A406H342-T403 PolarHBondContact CE1-OG1 3.43Å; H342-T403 VanDerWaalsContact NE2-CG2 3.34Å; H342-T403 WeakPolarHBondContact NE2-CG2 3.49Å; H342-T403 PolarHBondContact NE2-OG1 2.95Å; M397-T403 PolarHBondContact O-OG1 3.36Å; M397-T403 VanDerWaalsContact O-OG1 3.1Å; I400-T403 WeakPolarHBondContact CB-OG1 3.37Å; I400-T403 VanDerWaalsContact O-CB 3.3Å; I400-T403 WeakPolarHBondContact O-CB 3.38Å; I400-T403 PolarHBondContact O-N 2.97Å; I400-T403 PolarHBondContact O-OG1 2.64Å; T403-A406 HydrophobicContact CG2-CB 4.46Å
404I96.1Very high94.4Very high52 Ų5243.6 Ų43.627%0.26724%0.242SC..EExtended strand (participates in β ladder)trans-87.6-47.9174.7-61.9169.7000108.9K96 I343 E345 M376 G402K96-I404 WeakPolarHBondContact O-CG2 3.33Å; I343-I404 HydrophobicContact CB-CB 4.43Å; I343-I404 HydrophobicContact CG2-CB 4.15Å; I343-I404 HydrophobicContact CG2-CD1 4.27Å; I343-I404 HydrophobicContact CG2-CG2 4.42Å; I343-I404 PolarHBondContact O-N 3.18Å; E345-I404 HydrophobicContact CG-CD1 4.29Å; E345-I404 HydrophobicContact CG-CG1 4.3Å; M376-I404 HydrophobicContact CG-CD1 4.39Å; M376-I404 HydrophobicContact SD-CD1 4.19Å; G402-I404 PolarHBondContact O-N 3.28Å
405R95.2Very high94.3Very high59 Ų5945.2 Ų45.222%0.22325%0.251CS..EExtended strand (participates in β ladder)trans-157.8144.4-178.6-172.8175.1-74.7-177.7-13.8110.5L76 I343L76-R405 VanDerWaalsContact O-CZ 3.29Å; L76-R405 PolarHBondContact O-NH1 3.34Å; L76-R405 PolarHBondContact O-NH2 2.98Å; I343-R405 HydrophobicContact CB-CB 4.26Å; I343-R405 HydrophobicContact CD1-CB 4.16Å; I343-R405 HydrophobicContact CG1-CB 4.44Å; I343-R405 PolarHBondContact N-O 3.02Å; I343-R405 PolarHBondContact O-N 3.04Å; I343-R405 VanDerWaalsContact O-N 3.1Å
406A95.4Very high94.2Very high12 Ų1240.5 Ų40.510%0.09923%0.232CC..EExtended strand (participates in β ladder)trans-135.2142.3169.600000110.3M341 L394 M397 K398 T403M341-A406 CarbonylContact O-C 3.55Å; M341-A406 WeakPolarHBondContact O-CA 3.46Å; L394-A406 HydrophobicContact CD1-CB 3.68Å; M397-A406 HydrophobicContact CB-CB 4.38Å; K398-A406 HydrophobicContact CG-CB 3.87Å; T403-A406 HydrophobicContact CG2-CB 4.46Å
407R93.6Very high94.1Very high46 Ų4640.9 Ų40.917%0.17423%0.227CC..EExtended strand (participates in β ladder)trans-139.2142.3-178-175.2177.4178.7-152.9-5.4110S5 S316 L340 M341 L409S5-R407 PolarHBondContact OG-NH2 3.11Å; S316-R407 PolarHBondContact O-NH1 2.84Å; S316-R407 VanDerWaalsContact O-NH1 3.1Å; S316-R407 PolarHBondContact O-NH2 3.23Å; S316-R407 VanDerWaalsContact O-NH2 3.11Å; L340-R407 WeakPolarHBondContact CA-O 3.01Å; M341-R407 HydrophobicContact CB-CB 4.31Å; M341-R407 PolarHBondContact N-O 3.26Å; M341-R407 PolarHBondContact O-N 3.48Å; M341-R407 HydrophobicContact SD-CB 4.36Å; R407-L409 HydrophobicContact CG-CD2 4.43Å; R407-L409 VanDerWaalsContact NH2-CD2 3.33Å
408L92.3Very high94Very high8 Ų844.1 Ų44.14%0.04225%0.245CC..EExtended strand (participates in β ladder)trans-101.9135169.117561.2000108.5S5 R338 R339 L340 A390 E391 L394 Y410S5-L408 WeakPolarHBondContact CB-O 3.38Å; R338-L408 HydrophobicContact CB-CD1 4.09Å; R339-L408 CarbonylContact O-C 3.57Å; R339-L408 WeakPolarHBondContact O-CA 3.44Å; L340-L408 HydrophobicContact CD2-CB 3.95Å; L340-L408 HydrophobicContact CD2-CD1 3.75Å; L340-L408 HydrophobicContact CD2-CG 4.39Å; L340-L408 HydrophobicContact CG-CD1 3.97Å; A390-L408 HydrophobicContact CB-CD1 3.93Å; A390-L408 HydrophobicContact CB-CD2 3.92Å; E391-L408 HydrophobicContact CG-CD2 4.12Å; L394-L408 HydrophobicContact CD2-CB 3.89Å; L408-Y410 HydrophobicContact CD2-CE2 3.81Å; L408-Y410 HydrophobicContact CG-CD2 4.29Å; L408-Y410 HydrophobicContact CG-CE2 3.81Å
409L90.3Very high93.8Very high5 Ų539.3 Ų39.33%0.02623%0.229CC..EExtended strand (participates in β ladder)trans-118.7154.1170.8-63.6-178.5000108.8R339 M341 R407R339-L409 HydrophobicContact CB-CB 4.08Å; R339-L409 HydrophobicContact CG-CB 4.39Å; R339-L409 HydrophobicContact CG-CD1 4.45Å; R339-L409 PolarHBondContact N-O 3.27Å; R339-L409 PolarHBondContact O-N 3.18Å; M341-L409 HydrophobicContact CG-CD1 4.47Å; M341-L409 HydrophobicContact SD-CD1 3.53Å; M341-L409 VanDerWaalsContact SD-CD1 3.53Å; M341-L409 HydrophobicContact SD-CG 3.91Å; R407-L409 HydrophobicContact CG-CD2 4.43Å; R407-L409 VanDerWaalsContact NH2-CD2 3.33Å
410Y80.4Confident93.5Very high46 Ų4635.9 Ų35.918%0.1819%0.192CC..  trans-125.40-170.9-71.5-107.1000112.5K3 R338 E387 E391 L408K3-Y410 WeakPolarHBondContact O-CB 3.42Å; K3-Y410 WeakPolarHBondContact O-CD1 2.76Å; R338-Y410 PolarHBondContact NH1-OXT 3.29Å; E387-Y410 HydrophobicContact CB-CE1 4.43Å; E387-Y410 HydrophobicContact CG-CE1 3.83Å; E391-Y410 PolarHBondContact OE1-OH 3.03Å; L408-Y410 HydrophobicContact CD2-CE2 3.81Å; L408-Y410 HydrophobicContact CG-CD2 4.29Å; L408-Y410 HydrophobicContact CG-CE2 3.81Å

Retrieved 410 of 410 residues in 187.5 ms (Link to these results)

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