A0A087YR77_POEFO Loading...

Pleckstrin homology domain-containing family F member 2

May play a role in early endosome fusion upstream of RAB5, hence regulating receptor trafficking and fluid-phase transport. Enhances cellular sensitivity to TNF-induced apoptosis.

AlphaFold DB , UniProt , Accession A0A087YR77, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 245 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
1M53.8Low72.9Confident183 Ų18390.5 Ų90.590%0.90146%0.46SS*.  0-47.70-167.5178.9-85.100110.8D3 R4M1-D3 PolarHBondContact O-N 3.22Å; M1-R4 PolarHBondContact O-N 3.39Å
2V59.6Low74.6Confident19 Ų1988.4 Ų88.412%0.11546%0.46CS..Hα-helixtrans-59.7-40.1174.7-176.30000112.5R4 L5 A6 V35 I37 N59V2-R4 VanDerWaalsContact C-N 3.28Å; V2-R4 PolarHBondContact O-N 3.14Å; V2-L5 PolarHBondContact O-N 3.1Å; V2-A6 PolarHBondContact O-N 3.03Å; V2-V35 HydrophobicContact CG1-CB 3.9Å; V2-V35 HydrophobicContact CG1-CG1 4.35Å; V2-V35 HydrophobicContact CG1-CG2 3.62Å; V2-I37 HydrophobicContact CG2-CD1 4.19Å; V2-N59 HydrophobicContact CG1-CB 4.16Å
3D58.8Low76.2Confident114 Ų11491 Ų9161%0.6147%0.465SS*.Hα-helixtrans-65.6-26.7-177-47.1-58.7000113.8M1 L5 K136M1-D3 PolarHBondContact O-N 3.22Å; D3-L5 VanDerWaalsContact C-N 3.33Å; D3-K136 IonicContact OD1-NZ 2.87Å
4R61.7Low77.6Confident233 Ų23391.4 Ų91.488%0.87946%0.458SS*.Hα-helixtrans-75.1-22.7173.4-74.4-171.7175.6178-1.6112.8M1 V2M1-R4 PolarHBondContact O-N 3.39Å; V2-R4 VanDerWaalsContact C-N 3.28Å; V2-R4 PolarHBondContact O-N 3.14Å
5L69.1Low78.9Confident76 Ų7685.5 Ų85.540%0.39843%0.429SS..Hα-helixtrans-95.8-28-176.9-67170.9000112.7V2 D3 N7 S8 N11 V35V2-L5 PolarHBondContact O-N 3.1Å; D3-L5 VanDerWaalsContact C-N 3.33Å; L5-N7 PolarHBondContact O-N 3.12Å; L5-S8 WeakPolarHBondContact O-CB 3.37Å; L5-S8 PolarHBondContact O-N 2.88Å; L5-S8 PolarHBondContact O-OG 3.17Å; L5-N11 WeakPolarHBondContact O-CB 3.21Å; L5-V35 HydrophobicContact CB-CG1 4.22Å; L5-V35 HydrophobicContact CB-CG2 4.43Å
6A68.9Low80Confident13 Ų1381.6 Ų81.611%0.10742%0.416CS..THydrogen-bonded Turntrans-47.8-35.3-175.200000115.3V2 N11 V35V2-A6 PolarHBondContact O-N 3.03Å; A6-N11 PolarHBondContact O-ND2 3.27Å; A6-V35 HydrophobicContact CB-CG2 3.73Å
7N73.2Confident80.9Confident128 Ų12883.6 Ų83.668%0.68443%0.428SS*.THydrogen-bonded Turntrans-121.619.3-178.3-54.7-46.5000112.5L5L5-N7 PolarHBondContact O-N 3.12Å
8S85Confident81.8Confident30 Ų3079.3 Ų79.321%0.2141%0.406CS..  trans-76.6140.6175.267.60000110.5L5 A10 N11 S12L5-S8 WeakPolarHBondContact O-CB 3.37Å; L5-S8 PolarHBondContact O-N 2.88Å; L5-S8 PolarHBondContact O-OG 3.17Å; S8-A10 PolarHBondContact O-N 2.94Å; S8-N11 WeakPolarHBondContact O-CB 3.36Å; S8-N11 PolarHBondContact O-N 2.81Å; S8-N11 VanDerWaalsContact OG-CB 3.29Å; S8-N11 WeakPolarHBondContact OG-CB 3.41Å; S8-N11 PolarHBondContact OG-N 3.07Å; S8-N11 VanDerWaalsContact OG-N 3.15Å; S8-S12 PolarHBondContact O-N 3.5Å; S8-S12 VanDerWaalsContact O-N 3.08Å; S8-S12 PolarHBondContact O-OG 2.92Å
9E87.3Confident82.6Confident135 Ų13577.8 Ų77.863%0.63140%0.397SS*.Hα-helixtrans-54.9-35.3173.9-167.6-167.9166.600111.4S12 K13E9-S12 PolarHBondContact O-N 2.91Å; E9-K13 HydrophobicContact CG-CD 4.4Å; E9-K13 WeakPolarHBondContact O-CB 3.38Å; E9-K13 WeakPolarHBondContact O-CG 3.43Å; E9-K13 PolarHBondContact O-N 3.41Å; E9-K13 WeakPolarHBondContact OE1-CE 3.3Å; E9-K13 IonicContact OE1-NZ 3.62Å; E9-K13 PolarHBondContact OE1-NZ 2.86Å
10A91.2Very high83.3Confident61 Ų6178.4 Ų78.450%0.50441%0.408SS..Hα-helixtrans-62-42.3175.300000112.7S8 R14S8-A10 PolarHBondContact O-N 2.94Å; A10-R14 VanDerWaalsContact O-CG 3.26Å; A10-R14 WeakPolarHBondContact O-CG 3.3Å; A10-R14 PolarHBondContact O-N 2.87Å; A10-R14 VanDerWaalsContact O-N 3.09Å
11N93.8Very high83.9Confident3 Ų375.7 Ų75.72%0.01640%0.396CS..Hα-helixtrans-65.8-48.8175.1-179.260.1000110.7L5 A6 S8 K13 R14 I15 R34 V35 L36L5-N11 WeakPolarHBondContact O-CB 3.21Å; A6-N11 PolarHBondContact O-ND2 3.27Å; S8-N11 WeakPolarHBondContact O-CB 3.36Å; S8-N11 PolarHBondContact O-N 2.81Å; S8-N11 VanDerWaalsContact OG-CB 3.29Å; S8-N11 WeakPolarHBondContact OG-CB 3.41Å; S8-N11 PolarHBondContact OG-N 3.07Å; S8-N11 VanDerWaalsContact OG-N 3.15Å; N11-K13 VanDerWaalsContact C-N 3.31Å; N11-K13 PolarHBondContact O-N 2.94Å; N11-R14 WeakPolarHBondContact O-CB 3.32Å; N11-R14 PolarHBondContact O-N 3.24Å; N11-I15 WeakPolarHBondContact O-CG1 3.3Å; N11-I15 PolarHBondContact O-N 2.99Å; N11-R34 PolarHBondContact ND2-O 3.49Å; N11-V35 WeakPolarHBondContact OD1-CA 3.37Å; N11-L36 PolarHBondContact OD1-N 3.04Å; N11-L36 VanDerWaalsContact OD1-N 3.1Å
12S93.3Very high86Confident66 Ų6667.6 Ų67.646%0.46236%0.356SS..Hα-helixtrans-56-44178.1-57.90000112.3S8 E9 I15 G16S8-S12 PolarHBondContact O-N 3.5Å; S8-S12 VanDerWaalsContact O-N 3.08Å; S8-S12 PolarHBondContact O-OG 2.92Å; E9-S12 PolarHBondContact O-N 2.91Å; S12-I15 PolarHBondContact O-N 3.3Å; S12-G16 PolarHBondContact O-N 3.13Å
13K94.8Very high87.6Confident122 Ų12268.5 Ų68.553%0.5337%0.369SS..Hα-helixtrans-59.9-45.9174.3-75.6174.9-178.71700112E9 N11 I15 G16 L17E9-K13 HydrophobicContact CG-CD 4.4Å; E9-K13 WeakPolarHBondContact O-CB 3.38Å; E9-K13 WeakPolarHBondContact O-CG 3.43Å; E9-K13 PolarHBondContact O-N 3.41Å; E9-K13 WeakPolarHBondContact OE1-CE 3.3Å; E9-K13 IonicContact OE1-NZ 3.62Å; E9-K13 PolarHBondContact OE1-NZ 2.86Å; N11-K13 VanDerWaalsContact C-N 3.31Å; N11-K13 PolarHBondContact O-N 2.94Å; K13-I15 PolarHBondContact O-N 3.17Å; K13-G16 PolarHBondContact O-N 2.94Å; K13-L17 WeakPolarHBondContact O-CG 3.48Å; K13-L17 PolarHBondContact O-N 3.5Å
14R96Very high89.1Confident96 Ų9668.7 Ų68.736%0.36239%0.386SS..Hα-helixtrans-61-43.4178.1-73168.967.1-143.7-2.5112A10 N11 L17 V18 L36A10-R14 VanDerWaalsContact O-CG 3.26Å; A10-R14 WeakPolarHBondContact O-CG 3.3Å; A10-R14 PolarHBondContact O-N 2.87Å; A10-R14 VanDerWaalsContact O-N 3.09Å; N11-R14 WeakPolarHBondContact O-CB 3.32Å; N11-R14 PolarHBondContact O-N 3.24Å; R14-L17 PolarHBondContact O-N 3.38Å; R14-V18 PolarHBondContact O-N 3.26Å; R14-L36 HydrophobicContact CB-CD2 4.09Å; R14-L36 PolarHBondContact NH1-O 2.73Å; R14-L36 VanDerWaalsContact NH1-O 3.09Å; R14-L36 PolarHBondContact NH2-O 2.85Å
15I96.8Very high90.4Very high4 Ų462 Ų622%0.02138%0.381CS..Hα-helixtrans-65.7-43.9177.7-57.2-173.3000110.8N11 S12 K13 L17 V18 E19 L29 A30 R34 L36 F58N11-I15 WeakPolarHBondContact O-CG1 3.3Å; N11-I15 PolarHBondContact O-N 2.99Å; S12-I15 PolarHBondContact O-N 3.3Å; K13-I15 PolarHBondContact O-N 3.17Å; I15-L17 VanDerWaalsContact C-N 3.26Å; I15-L17 PolarHBondContact O-N 3.12Å; I15-V18 WeakPolarHBondContact O-CA 3.31Å; I15-V18 WeakPolarHBondContact O-CB 3.37Å; I15-V18 PolarHBondContact O-N 2.9Å; I15-E19 PolarHBondContact O-N 3.09Å; I15-L29 HydrophobicContact CG2-CB 3.85Å; I15-A30 HydrophobicContact CG2-CB 4.05Å; I15-R34 HydrophobicContact CD1-CG 4.35Å; I15-R34 WeakPolarHBondContact CD1-O 3.46Å; I15-L36 HydrophobicContact CG1-CB 4.28Å; I15-F58 HydrophobicContact CD1-CD1 4.33Å; I15-F58 HydrophobicContact CD1-CE1 3.99Å; I15-F58 HydrophobicContact CG1-CE1 3.88Å; I15-F58 HydrophobicContact CG2-CE1 4.12Å
16G96.3Very high91.6Very high22 Ų2259.3 Ų59.323%0.22737%0.371CS..Hα-helixtrans-60.4-33.1176.900000113.5S12 K13 S20S12-G16 PolarHBondContact O-N 3.13Å; K13-G16 PolarHBondContact O-N 2.94Å; G16-S20 WeakPolarHBondContact O-CB 3.3Å; G16-S20 PolarHBondContact O-N 3.22Å; G16-S20 PolarHBondContact O-OG 3.24Å
17L95.9Very high92.8Very high117 Ų11764.4 Ų64.461%0.61339%0.393SS*.Hα-helixtrans-65.3-39.7172-70.2172.7000112.1K13 R14 I15 S20 C21K13-L17 WeakPolarHBondContact O-CG 3.48Å; K13-L17 PolarHBondContact O-N 3.5Å; R14-L17 PolarHBondContact O-N 3.38Å; I15-L17 VanDerWaalsContact C-N 3.26Å; I15-L17 PolarHBondContact O-N 3.12Å; L17-S20 PolarHBondContact O-N 2.96Å; L17-C21 PolarHBondContact O-N 3.34Å; L17-C21 VanDerWaalsContact O-N 3.12Å; L17-C21 PolarHBondContact O-SG 2.99Å
18V97Very high93.9Very high5 Ų562.9 Ų62.93%0.0339%0.39CS..Hα-helixtrans-63.7-48.2175.9179.80000110.6R14 I15 S20 C21 F22 L29 L36 F56 F58R14-V18 PolarHBondContact O-N 3.26Å; I15-V18 WeakPolarHBondContact O-CA 3.31Å; I15-V18 WeakPolarHBondContact O-CB 3.37Å; I15-V18 PolarHBondContact O-N 2.9Å; V18-S20 VanDerWaalsContact C-N 3.33Å; V18-S20 PolarHBondContact O-N 3.5Å; V18-C21 WeakPolarHBondContact O-CB 3.29Å; V18-C21 PolarHBondContact O-N 3.27Å; V18-C21 VanDerWaalsContact O-N 3.14Å; V18-F22 HydrophobicContact CG1-CD2 4.28Å; V18-F22 HydrophobicContact CG1-CE2 4.04Å; V18-F22 WeakPolarHBondContact O-CD2 3.47Å; V18-F22 PolarHBondContact O-N 3.29Å; V18-L29 HydrophobicContact CB-CD1 4.37Å; V18-L29 HydrophobicContact CG1-CD1 3.64Å; V18-L36 HydrophobicContact CG2-CD2 4.02Å; V18-F56 HydrophobicContact CB-CD1 4.42Å; V18-F56 HydrophobicContact CB-CE1 4.29Å; V18-F56 HydrophobicContact CG1-CD1 3.83Å; V18-F56 HydrophobicContact CG1-CD2 3.94Å; V18-F56 HydrophobicContact CG1-CE1 3.79Å; V18-F56 HydrophobicContact CG1-CE2 3.89Å; V18-F56 HydrophobicContact CG1-CG 3.9Å; V18-F56 HydrophobicContact CG1-CZ 3.81Å; V18-F56 HydrophobicContact CG2-CD1 3.64Å; V18-F56 HydrophobicContact CG2-CE1 3.61Å; V18-F56 HydrophobicContact CG2-CG 4.43Å; V18-F56 HydrophobicContact CG2-CZ 4.38Å; V18-F58 HydrophobicContact CG1-CZ 4.5Å
19E96.8Very high94.5Very high51 Ų5161.4 Ų61.424%0.23838%0.38CS..Hα-helixtrans-57.5-46.1176.3-67.8176.414300111.5I15 C21 F22 G23 P28 L29 A30I15-E19 PolarHBondContact O-N 3.09Å; E19-C21 PolarHBondContact O-N 2.88Å; E19-F22 PolarHBondContact O-N 3.47Å; E19-G23 PolarHBondContact O-N 3.4Å; E19-P28 WeakPolarHBondContact OE1-CA 3.38Å; E19-L29 HydrophobicContact CG-CB 3.94Å; E19-L29 HydrophobicContact CG-CD1 4.43Å; E19-L29 HydrophobicContact CG-CG 4.16Å; E19-L29 PolarHBondContact OE1-N 3.32Å; E19-A30 PolarHBondContact OE1-N 3.28Å
20S96.4Very high94.8Very high90 Ų9057.8 Ų57.863%0.62937%0.373SS*.Hα-helixtrans-58.7-34178.2-61.50000112.4G16 L17 V18 F22 G23G16-S20 WeakPolarHBondContact O-CB 3.3Å; G16-S20 PolarHBondContact O-N 3.22Å; G16-S20 PolarHBondContact O-OG 3.24Å; L17-S20 PolarHBondContact O-N 2.96Å; V18-S20 VanDerWaalsContact C-N 3.33Å; V18-S20 PolarHBondContact O-N 3.5Å; S20-F22 VanDerWaalsContact C-N 3.34Å; S20-G23 PolarHBondContact O-N 2.88Å
21C96.9Very high94.9Very high22 Ų2258.7 Ų58.715%0.14937%0.368CS..Hα-helixtrans-68.8-30.8176.5-67.10000112.9L17 V18 E19 K73 Y74L17-C21 PolarHBondContact O-N 3.34Å; L17-C21 VanDerWaalsContact O-N 3.12Å; L17-C21 PolarHBondContact O-SG 2.99Å; V18-C21 WeakPolarHBondContact O-CB 3.29Å; V18-C21 PolarHBondContact O-N 3.27Å; V18-C21 VanDerWaalsContact O-N 3.14Å; E19-C21 PolarHBondContact O-N 2.88Å; C21-K73 CarbonylContact O-C 3.58Å; C21-K73 WeakPolarHBondContact O-CA 3.43Å; C21-Y74 HydrophobicContact CB-CD2 3.3Å; C21-Y74 HydrophobicContact CB-CE2 3.46Å; C21-Y74 VanDerWaalsContact CB-CE2 3.46Å; C21-Y74 HydrophobicContact CB-CG 4.25Å; C21-Y74 PolarHBondContact O-N 2.8Å
22F96.9Very high94.7Very high12 Ų1264.4 Ų64.45%0.05341%0.406CS..Hα-helixtrans-82.4-24.6173.4-73.3-76000112.6V18 E19 S20 F56 V63 Y74 Q77V18-F22 HydrophobicContact CG1-CD2 4.28Å; V18-F22 HydrophobicContact CG1-CE2 4.04Å; V18-F22 WeakPolarHBondContact O-CD2 3.47Å; V18-F22 PolarHBondContact O-N 3.29Å; E19-F22 PolarHBondContact O-N 3.47Å; S20-F22 VanDerWaalsContact C-N 3.34Å; F22-F56 HydrophobicContact CE2-CD2 4.24Å; F22-F56 AromaticContact CE2-CE2 3.74Å; F22-F56 HydrophobicContact CE2-CE2 3.74Å; F22-F56 HydrophobicContact CZ-CE2 4.01Å; F22-V63 HydrophobicContact CE2-CG1 4.18Å; F22-V63 HydrophobicContact CZ-CG1 4.21Å; F22-Y74 HydrophobicContact CE2-CD2 4.35Å; F22-Y74 HydrophobicContact CZ-CD2 4.4Å; F22-Q77 HydrophobicContact CD1-CB 3.62Å; F22-Q77 HydrophobicContact CD1-CG 3.94Å; F22-Q77 HydrophobicContact CD2-CG 4.27Å; F22-Q77 HydrophobicContact CE1-CB 3.62Å; F22-Q77 HydrophobicContact CE1-CG 3.79Å; F22-Q77 HydrophobicContact CE2-CG 4.14Å; F22-Q77 HydrophobicContact CG-CB 4.23Å; F22-Q77 HydrophobicContact CG-CG 4.18Å; F22-Q77 HydrophobicContact CZ-CB 4.25Å; F22-Q77 HydrophobicContact CZ-CG 3.9Å
23G93Very high94.6Very high39 Ų3962.9 Ų62.940%0.40240%0.401SS..G310 helixtrans63.9-158.1179.300000112.6E19 S20 A25 G26E19-G23 PolarHBondContact O-N 3.4Å; S20-G23 PolarHBondContact O-N 2.88Å; G23-A25 PolarHBondContact O-N 2.94Å; G23-A25 VanDerWaalsContact O-N 3.08Å; G23-G26 PolarHBondContact O-N 3.43Å
24A90.9Very high94.7Very high117 Ų11758.3 Ų58.397%0.96738%0.38SS*.G310 helixtrans-64.2-14.9-174.900000115.1
25A89.5Confident94.7Very high94 Ų9453.8 Ų53.878%0.77736%0.363SS*.G310 helixtrans-85.2-10.8175.900000112.9G23G23-A25 PolarHBondContact O-N 2.94Å; G23-A25 VanDerWaalsContact O-N 3.08Å
26G92.9Very high94.7Very high18 Ų1853.8 Ų53.819%0.18636%0.363CS..SBendtrans-87.8154.5175.900000112.6G23G23-G26 PolarHBondContact O-N 3.43Å
27Q95.8Very high94.8Very high120 Ų12055 Ų5556%0.56136%0.364SS*.PPolyproline II helixtrans-80.3144.9166.7-61.9-63.5-35.500110.6Q77 I79Q27-Q77 PolarHBondContact O-NE2 3.44Å; Q27-I79 HydrophobicContact CB-CD1 3.85Å; Q27-I79 HydrophobicContact CG-CD1 4.48Å
28P95.5Very high94.7Very high96 Ų9650.3 Ų50.362%0.62334%0.343SS*.PPolyproline II helixtrans-58136.2172.3-23.834000112.4E19E19-P28 WeakPolarHBondContact OE1-CA 3.38Å
29L96.5Very high94.8Very high0 Ų055.6 Ų55.60%037%0.368CS..  trans-109.6-23.8176.7-57.4179.4000111.6I15 V18 E19 I31 R34 F58 I61 V63 I79I15-L29 HydrophobicContact CG2-CB 3.85Å; V18-L29 HydrophobicContact CB-CD1 4.37Å; V18-L29 HydrophobicContact CG1-CD1 3.64Å; E19-L29 HydrophobicContact CG-CB 3.94Å; E19-L29 HydrophobicContact CG-CD1 4.43Å; E19-L29 HydrophobicContact CG-CG 4.16Å; E19-L29 PolarHBondContact OE1-N 3.32Å; L29-I31 PolarHBondContact O-N 3.32Å; L29-I31 VanDerWaalsContact O-N 3.09Å; L29-R34 VanDerWaalsContact O-CD 3.25Å; L29-R34 WeakPolarHBondContact O-CD 3.44Å; L29-R34 PolarHBondContact O-NH1 3.03Å; L29-F58 HydrophobicContact CB-CZ 4.31Å; L29-F58 HydrophobicContact CD1-CE2 4.07Å; L29-F58 HydrophobicContact CD1-CZ 3.79Å; L29-I61 HydrophobicContact CD2-CD1 3.97Å; L29-V63 HydrophobicContact CD1-CG2 4.43Å; L29-V63 HydrophobicContact CD2-CG2 3.96Å; L29-I79 HydrophobicContact CD2-CD1 3.68Å; L29-I79 HydrophobicContact CD2-CG1 4.26Å
30A94.1Very high94.8Very high58 Ų5854 Ų5448%0.47937%0.365SS..  trans-72.6103.2-179.200000111.5I15 E19I15-A30 HydrophobicContact CG2-CB 4.05Å; E19-A30 PolarHBondContact OE1-N 3.28Å
31I92.8Very high94.9Very high80 Ų8052.3 Ų52.341%0.4135%0.351SS..  trans-130.9155.1170.268.7169.3000110.4L29 G33 R34L29-I31 PolarHBondContact O-N 3.32Å; L29-I31 VanDerWaalsContact O-N 3.09Å; I31-G33 PolarHBondContact O-N 2.92Å; I31-R34 HydrophobicContact CD1-CB 4.47Å; I31-R34 HydrophobicContact CG1-CB 3.65Å; I31-R34 PolarHBondContact O-N 3.2Å
32P91.3Very high94.9Very high124 Ų12451.4 Ų51.481%0.80535%0.345SS*.THydrogen-bonded Turntrans-54.9135.2175.7-25.835.3000112.1R34P32-R34 VanDerWaalsContact C-N 3.27Å; P32-R34 PolarHBondContact O-N 2.89Å
33G91.3Very high94.9Very high34 Ų3453.4 Ų53.435%0.35136%0.358SS..THydrogen-bonded Turntrans83.5-11.917800000115.7I31 N59I31-G33 PolarHBondContact O-N 2.92Å; G33-N59 PolarHBondContact O-ND2 2.77Å
34R95.2Very high95.1Very high26 Ų2652.2 Ų52.210%0.09834%0.342CS..  trans-80.1131.8178.4-176.7172.1-66150.2-5.4111.5N11 I15 L29 I31 P32 F58 N59 D60 I61N11-R34 PolarHBondContact ND2-O 3.49Å; I15-R34 HydrophobicContact CD1-CG 4.35Å; I15-R34 WeakPolarHBondContact CD1-O 3.46Å; L29-R34 VanDerWaalsContact O-CD 3.25Å; L29-R34 WeakPolarHBondContact O-CD 3.44Å; L29-R34 PolarHBondContact O-NH1 3.03Å; I31-R34 HydrophobicContact CD1-CB 4.47Å; I31-R34 HydrophobicContact CG1-CB 3.65Å; I31-R34 PolarHBondContact O-N 3.2Å; P32-R34 VanDerWaalsContact C-N 3.27Å; P32-R34 PolarHBondContact O-N 2.89Å; R34-F58 HydrophobicContact CG-CB 3.95Å; R34-F58 HydrophobicContact CG-CD1 3.55Å; R34-F58 HydrophobicContact CG-CE1 4.37Å; R34-F58 HydrophobicContact CG-CG 4.05Å; R34-N59 WeakPolarHBondContact CA-OD1 3.06Å; R34-D60 WeakPolarHBondContact CD-OD1 3.26Å; R34-D60 WeakPolarHBondContact CG-OD1 3.48Å; R34-D60 IonicContact CZ-OD1 2.85Å; R34-D60 IonicContact CZ-OD2 2.71Å; R34-D60 VanDerWaalsContact CZ-OD2 3.26Å; R34-D60 VanDerWaalsContact NE-CG 3.3Å; R34-D60 IonicContact NE-OD1 3.26Å; R34-D60 PolarHBondContact NE-OD1 2.89Å; R34-D60 IonicContact NE-OD2 2.7Å; R34-D60 PolarHBondContact NE-OD2 3.09Å; R34-D60 IonicContact NH2-OD1 2.64Å; R34-D60 IonicContact NH2-OD2 2.96Å; R34-D60 PolarHBondContact NH2-OD2 3.09Å; R34-I61 VanDerWaalsContact CZ-CD1 3.47Å
35V96.3Very high95.2Very high1 Ų148.2 Ų48.21%0.00630%0.304CS..  trans-123.1131.8-179.3178.30000110.5V2 L5 A6 N11 I37 F58 N59V2-V35 HydrophobicContact CG1-CB 3.9Å; V2-V35 HydrophobicContact CG1-CG1 4.35Å; V2-V35 HydrophobicContact CG1-CG2 3.62Å; L5-V35 HydrophobicContact CB-CG1 4.22Å; L5-V35 HydrophobicContact CB-CG2 4.43Å; A6-V35 HydrophobicContact CB-CG2 3.73Å; N11-V35 WeakPolarHBondContact OD1-CA 3.37Å; V35-I37 HydrophobicContact CB-CD1 4.19Å; V35-I37 HydrophobicContact CG1-CD1 3.79Å; V35-I37 PolarHBondContact O-N 3.14Å; V35-F58 CarbonylContact O-C 3.54Å; V35-F58 WeakPolarHBondContact O-CA 3.39Å; V35-N59 PolarHBondContact N-OD1 3.32Å; V35-N59 PolarHBondContact O-N 3.33Å
36L97.4Very high95.2Very high4 Ų445.1 Ų45.12%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-77.2110.3168.2-177.966.1000110.1N11 R14 I15 V18 F56 F58N11-L36 PolarHBondContact OD1-N 3.04Å; N11-L36 VanDerWaalsContact OD1-N 3.1Å; R14-L36 HydrophobicContact CB-CD2 4.09Å; R14-L36 PolarHBondContact NH1-O 2.73Å; R14-L36 VanDerWaalsContact NH1-O 3.09Å; R14-L36 PolarHBondContact NH2-O 2.85Å; I15-L36 HydrophobicContact CG1-CB 4.28Å; V18-L36 HydrophobicContact CG2-CD2 4.02Å; L36-F56 HydrophobicContact CD1-CB 4.02Å; L36-F56 HydrophobicContact CD1-CD1 4.36Å; L36-F58 HydrophobicContact CB-CD1 4.17Å; L36-F58 HydrophobicContact CB-CE1 4.01Å; L36-F58 HydrophobicContact CD1-CD1 4.21Å; L36-F58 HydrophobicContact CD1-CD2 4.46Å; L36-F58 HydrophobicContact CD1-CE1 3.91Å; L36-F58 HydrophobicContact CD1-CE2 4.13Å; L36-F58 HydrophobicContact CD1-CZ 3.85Å
37I97.2Very high94.8Very high47 Ų4746.8 Ų46.824%0.24128%0.277CS..EExtended strand (participates in β ladder)trans-86.1-44.8-176.7-55.8-62.7000111V2 V35 L57 N59 H125V2-I37 HydrophobicContact CG2-CD1 4.19Å; V35-I37 HydrophobicContact CB-CD1 4.19Å; V35-I37 HydrophobicContact CG1-CD1 3.79Å; V35-I37 PolarHBondContact O-N 3.14Å; I37-L57 WeakPolarHBondContact CA-O 3.43Å; I37-L57 HydrophobicContact CB-CB 4.42Å; I37-L57 HydrophobicContact CB-CD2 4.2Å; I37-L57 HydrophobicContact CB-CG 4.11Å; I37-L57 WeakPolarHBondContact CB-O 3.38Å; I37-L57 HydrophobicContact CG2-CD2 4.05Å; I37-L57 HydrophobicContact CG2-CG 4.5Å; I37-L57 PolarHBondContact N-O 2.76Å; I37-N59 HydrophobicContact CD1-CB 4.31Å; I37-N59 HydrophobicContact CG1-CB 4.35Å; I37-H125 HydrophobicContact CG2-CB 4.15Å
38G95.9Very high94.4Very high18 Ų1847.1 Ų47.119%0.18628%0.277CS..EExtended strand (participates in β ladder)trans-161.3160.9-177.800000112.7F56 L57G38-F56 CarbonylContact O-C 3.58Å; G38-F56 WeakPolarHBondContact O-CA 3.38Å; G38-L57 PolarHBondContact N-O 3.12Å; G38-L57 PolarHBondContact O-N 3.22Å
39E97.4Very high94Very high116 Ų11648.8 Ų48.854%0.54227%0.274SS..EExtended strand (participates in β ladder)trans-145152.8175.468.6178.7164.100110.1F55 F56E39-F55 VanDerWaalsContact CA-O 3.27Å; E39-F55 WeakPolarHBondContact CA-O 3.31Å; E39-F56 HydrophobicContact CB-CD1 3.61Å; E39-F56 HydrophobicContact CB-CE1 4.02Å; E39-F56 VanDerWaalsContact OE2-CE1 3.22Å; E39-F56 WeakPolarHBondContact OE2-CE1 3.38Å
40G97.4Very high93.8Very high18 Ų1852 Ų5219%0.18630%0.295CS..EExtended strand (participates in β ladder)trans176164.2-178.300000113Q54 F55G40-Q54 VanDerWaalsContact N-NE2 3.19Å; G40-Q54 PolarHBondContact O-NE2 3.49Å; G40-F55 PolarHBondContact N-O 2.81Å; G40-F55 PolarHBondContact O-N 2.9Å
41V98.1Very high93.9Very high55 Ų5553 Ų5333%0.33329%0.288SS..EExtended strand (participates in β ladder)trans-90.8123.6174.3179.40000108.6A52 R53 I67V41-A52 HydrophobicContact CG1-CB 3.87Å; V41-R53 WeakPolarHBondContact CA-O 3.49Å; V41-I67 HydrophobicContact CG1-CD1 3.92Å; V41-I67 HydrophobicContact CG2-CD1 3.81Å
42L98.2Very high94.1Very high2 Ų251.5 Ų51.51%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-118.3149171.2-55.8174.4000110K44 R53 F55 W100 V111 A113 W122L42-K44 PolarHBondContact O-N 2.81Å; L42-R53 PolarHBondContact N-O 2.94Å; L42-R53 PolarHBondContact O-N 2.87Å; L42-F55 HydrophobicContact CB-CD2 3.61Å; L42-F55 HydrophobicContact CB-CE2 3.66Å; L42-F55 HydrophobicContact CD1-CB 4.29Å; L42-F55 HydrophobicContact CD1-CD1 4.37Å; L42-F55 HydrophobicContact CD1-CD2 3.83Å; L42-F55 HydrophobicContact CD1-CE2 4.2Å; L42-F55 HydrophobicContact CD1-CG 3.92Å; L42-F55 HydrophobicContact CG-CD2 3.87Å; L42-F55 HydrophobicContact CG-CE2 4.33Å; L42-F55 HydrophobicContact CG-CG 4.34Å; L42-W100 HydrophobicContact CD1-CH2 3.64Å; L42-W100 HydrophobicContact CD1-CZ2 3.63Å; L42-W100 HydrophobicContact CD2-CH2 3.7Å; L42-W100 HydrophobicContact CG-CH2 4.3Å; L42-V111 HydrophobicContact CB-CB 4.33Å; L42-V111 HydrophobicContact CD1-CB 4.33Å; L42-V111 HydrophobicContact CD1-CG2 4.3Å; L42-A113 HydrophobicContact CD2-CB 3.94Å; L42-W122 HydrophobicContact CD1-CD2 4.24Å
43T97.1Very high94.4Very high55 Ų5547.1 Ų47.134%0.33726%0.256SS..EExtended strand (participates in β ladder)trans-85.4108.3172.7-65.10000108.8P50 V111 Y112T43-P50 HydrophobicContact CG2-CB 3.53Å; T43-V111 CarbonylContact O-C 3.59Å; T43-V111 VanDerWaalsContact O-CA 3.28Å; T43-V111 WeakPolarHBondContact O-CA 3.36Å; T43-Y112 PolarHBondContact N-O 2.74Å; T43-Y112 PolarHBondContact O-N 3.44Å
44K95.9Very high94.7Very high13 Ų1346 Ų466%0.05724%0.241CC..EExtended strand (participates in β ladder)trans-85.8125.6176-173.8-178.9-178.2-56.40109.8L42 C46 P50 K51 R53 Y64 F109 V111L42-K44 PolarHBondContact O-N 2.81Å; K44-C46 PolarHBondContact O-N 3.38Å; K44-P50 WeakPolarHBondContact O-CA 3.39Å; K44-K51 PolarHBondContact N-O 2.98Å; K44-K51 PolarHBondContact O-N 2.86Å; K44-R53 HydrophobicContact CB-CG 4.02Å; K44-R53 HydrophobicContact CD-CG 4.39Å; K44-Y64 HydrophobicContact CD-CD2 4.48Å; K44-Y64 HydrophobicContact CD-CE2 3.92Å; K44-F109 HydrophobicContact CD-CD2 4.02Å; K44-F109 HydrophobicContact CD-CE2 4.24Å; K44-F109 HydrophobicContact CD-CG 4.4Å; K44-F109 VanDerWaalsContact CE-CG 3.43Å; K44-F109 HydrophobicContact CG-CD2 3.84Å; K44-F109 HydrophobicContact CG-CE2 4.37Å; K44-F109 HydrophobicContact CG-CG 4.4Å; K44-V111 HydrophobicContact CB-CG1 4.3Å; K44-V111 HydrophobicContact CG-CG1 4.36Å
45L92.7Very high94.9Very high33 Ų3344.8 Ų44.817%0.17324%0.236CC..  trans-74.2116.7171.9-164.261.3000108.8P50 A110 Y112 P151L45-P50 HydrophobicContact CD1-CB 4.48Å; L45-P50 HydrophobicContact CD1-CG 3.9Å; L45-A110 HydrophobicContact CB-CB 4.05Å; L45-A110 HydrophobicContact CD2-CB 4.31Å; L45-A110 PolarHBondContact N-O 3.17Å; L45-Y112 HydrophobicContact CB-CE2 4.2Å; L45-Y112 HydrophobicContact CD2-CE2 4.37Å; L45-P151 HydrophobicContact CD2-CG 3.91Å; L45-P151 HydrophobicContact CG-CG 4.2Å
46C89.1Confident95Very high29 Ų2944.8 Ų44.820%0.19624%0.237CC..  trans-111.3167.1174.8-62.70000109.5K44 K48 K49K44-C46 PolarHBondContact O-N 3.38Å; C46-K48 VanDerWaalsContact C-N 3.28Å; C46-K48 PolarHBondContact O-N 2.99Å; C46-K49 WeakPolarHBondContact CB-O 3.36Å
47R86.1Confident95Very high53 Ų5344.7 Ų44.720%0.224%0.236CC..SBendtrans-50.8-46.2-175.4-50.5174.9-150.7178.412.1112.9W149 D152 D242R47-W149 HydrophobicContact CG-CE3 3.76Å; R47-W149 HydrophobicContact CG-CZ3 4.28Å; R47-W149 VanDerWaalsContact CZ-CH2 3.46Å; R47-W149 VanDerWaalsContact NE-CE3 3.3Å; R47-D152 PolarHBondContact O-N 3.06Å; R47-D242 WeakPolarHBondContact CD-OD2 3.36Å; R47-D242 IonicContact CZ-OD2 3.7Å; R47-D242 IonicContact NE-OD2 3.52Å; R47-D242 PolarHBondContact NE-OD2 3.05Å; R47-D242 VanDerWaalsContact NH1-CB 3.35Å; R47-D242 IonicContact NH1-OD2 2.64Å; R47-D242 IonicContact NH2-OD2 3.86Å; R47-D242 PolarHBondContact NH2-OD2 2.85Å; R47-D242 VanDerWaalsContact NH2-OD2 3.16Å
48K85.9Confident95.1Very high127 Ų12742.4 Ų42.455%0.55222%0.224SC*.SBendtrans-91.2-47.8-174.6-62.7-177.5-178.9177.80113.7C46C46-K48 VanDerWaalsContact C-N 3.28Å; C46-K48 PolarHBondContact O-N 2.99Å
49K88.4Confident95.1Very high131 Ų13142.7 Ų42.757%0.5722%0.221SC*.SBendtrans-153.8148.9-176.363.7-178.4-179.3-179.20111.8C46 K51C46-K49 WeakPolarHBondContact CB-O 3.36Å; K49-K51 HydrophobicContact CG-CG 4.11Å
50P92.4Very high95.1Very high67 Ų6738.8 Ų38.844%0.43520%0.204SC..  trans-56.6139.6166.4-19.130.2000110.5T43 K44 L45T43-P50 HydrophobicContact CG2-CB 3.53Å; K44-P50 WeakPolarHBondContact O-CA 3.39Å; L45-P50 HydrophobicContact CD1-CB 4.48Å; L45-P50 HydrophobicContact CD1-CG 3.9Å
51K95.1Very high95.1Very high80 Ų8038.3 Ų38.335%0.34820%0.198SC..EExtended strand (participates in β ladder)trans-136.4133.1177-60.6-177.2177.9176.70110.8K44 K49 R53K44-K51 PolarHBondContact N-O 2.98Å; K44-K51 PolarHBondContact O-N 2.86Å; K49-K51 HydrophobicContact CG-CG 4.11Å; K51-R53 VanDerWaalsContact CB-NH1 3.25Å
52A97Very high95.1Very high49 Ų4935.8 Ų35.841%0.40518%0.182SC..EExtended strand (participates in β ladder)trans-63.4135.6169.700000110.5V41 I67V41-A52 HydrophobicContact CG1-CB 3.87Å; A52-I67 HydrophobicContact CB-CD1 4.39Å
53R97.9Very high95.1Very high32 Ų3235.7 Ų35.712%0.12118%0.181CC..EExtended strand (participates in β ladder)trans-136.7143.1176.5-64.7-69.1178.8-102.713.8108.4V41 L42 K44 K51 F55 Y64 G65 N66V41-R53 WeakPolarHBondContact CA-O 3.49Å; L42-R53 PolarHBondContact N-O 2.94Å; L42-R53 PolarHBondContact O-N 2.87Å; K44-R53 HydrophobicContact CB-CG 4.02Å; K44-R53 HydrophobicContact CD-CG 4.39Å; K51-R53 VanDerWaalsContact CB-NH1 3.25Å; R53-F55 HydrophobicContact CB-CD2 4.03Å; R53-F55 HydrophobicContact CB-CE2 3.57Å; R53-F55 HydrophobicContact CB-CZ 4.35Å; R53-F55 HydrophobicContact CG-CE2 4.47Å; R53-F55 WeakPolarHBondContact O-CD2 3.17Å; R53-Y64 HydrophobicContact CB-CD2 4.42Å; R53-Y64 HydrophobicContact CG-CD2 4.34Å; R53-G65 WeakPolarHBondContact CA-O 3.47Å; R53-G65 WeakPolarHBondContact CD-O 3.38Å; R53-N66 PolarHBondContact NE-OD1 3.45Å; R53-N66 PolarHBondContact NH1-OD1 2.98Å; R53-N66 PolarHBondContact NH2-OD1 2.89Å
54Q98.3Very high95.2Very high10 Ų1033.4 Ų33.45%0.04717%0.167CC..EExtended strand (participates in β ladder)trans-80.4126.5169-178.36633.900107.8G40 F56 Y64 G65 I67 Y74G40-Q54 VanDerWaalsContact N-NE2 3.19Å; G40-Q54 PolarHBondContact O-NE2 3.49Å; Q54-F56 HydrophobicContact CB-CE2 4.26Å; Q54-F56 HydrophobicContact CB-CZ 4.47Å; Q54-F56 HydrophobicContact CG-CD2 4.25Å; Q54-F56 HydrophobicContact CG-CE1 4.02Å; Q54-F56 HydrophobicContact CG-CE2 3.4Å; Q54-F56 HydrophobicContact CG-CZ 3.26Å; Q54-Y64 CarbonylContact O-C 3.55Å; Q54-Y64 WeakPolarHBondContact O-CA 3.49Å; Q54-Y64 WeakPolarHBondContact O-CB 3.38Å; Q54-G65 PolarHBondContact N-O 2.99Å; Q54-G65 VanDerWaalsContact N-O 3.13Å; Q54-G65 PolarHBondContact O-N 2.93Å; Q54-I67 HydrophobicContact CB-CD1 4.38Å; Q54-I67 HydrophobicContact CB-CG1 3.96Å; Q54-Y74 HydrophobicContact CB-CD1 4.15Å; Q54-Y74 HydrophobicContact CB-CE1 3.89Å; Q54-Y74 HydrophobicContact CB-CE2 4.44Å; Q54-Y74 HydrophobicContact CG-CD2 4.41Å; Q54-Y74 HydrophobicContact CG-CE1 4.08Å; Q54-Y74 HydrophobicContact CG-CE2 3.9Å
55F98.6Very high95.3Very high0 Ų032.8 Ų32.80%016%0.164CC..EExtended strand (participates in β ladder)trans-111.3147.2174.6-75.8-100.1000110.4E39 G40 L42 R53 L62 V63 Y64 F109 V111 W122E39-F55 VanDerWaalsContact CA-O 3.27Å; E39-F55 WeakPolarHBondContact CA-O 3.31Å; G40-F55 PolarHBondContact N-O 2.81Å; G40-F55 PolarHBondContact O-N 2.9Å; L42-F55 HydrophobicContact CB-CD2 3.61Å; L42-F55 HydrophobicContact CB-CE2 3.66Å; L42-F55 HydrophobicContact CD1-CB 4.29Å; L42-F55 HydrophobicContact CD1-CD1 4.37Å; L42-F55 HydrophobicContact CD1-CD2 3.83Å; L42-F55 HydrophobicContact CD1-CE2 4.2Å; L42-F55 HydrophobicContact CD1-CG 3.92Å; L42-F55 HydrophobicContact CG-CD2 3.87Å; L42-F55 HydrophobicContact CG-CE2 4.33Å; L42-F55 HydrophobicContact CG-CG 4.34Å; R53-F55 HydrophobicContact CB-CD2 4.03Å; R53-F55 HydrophobicContact CB-CE2 3.57Å; R53-F55 HydrophobicContact CB-CZ 4.35Å; R53-F55 HydrophobicContact CG-CE2 4.47Å; R53-F55 WeakPolarHBondContact O-CD2 3.17Å; F55-L62 HydrophobicContact CD1-CD1 4.17Å; F55-L62 HydrophobicContact CD1-CD2 4.29Å; F55-L62 HydrophobicContact CD1-CG 4.32Å; F55-L62 HydrophobicContact CE1-CD2 4.41Å; F55-V63 CarbonylContact C-O 3.59Å; F55-V63 WeakPolarHBondContact CA-O 3.2Å; F55-Y64 VanDerWaalsContact CD1-CB 3.45Å; F55-Y64 HydrophobicContact CD1-CD1 4.48Å; F55-Y64 HydrophobicContact CD1-CG 4.15Å; F55-Y64 VanDerWaalsContact CE1-CB 3.5Å; F55-Y64 AromaticContact CE1-CD1 3.95Å; F55-Y64 HydrophobicContact CE1-CD1 3.95Å; F55-Y64 HydrophobicContact CE1-CD2 4.36Å; F55-Y64 AromaticContact CE1-CG 3.69Å; F55-Y64 HydrophobicContact CE1-CG 3.69Å; F55-Y64 HydrophobicContact CZ-CD2 4.21Å; F55-Y64 AromaticContact CZ-CG 3.98Å; F55-Y64 HydrophobicContact CZ-CG 3.98Å; F55-F109 HydrophobicContact CE1-CE2 4.08Å; F55-F109 HydrophobicContact CE1-CZ 4.38Å; F55-F109 HydrophobicContact CZ-CE2 4.07Å; F55-V111 HydrophobicContact CE1-CG1 4.33Å; F55-V111 HydrophobicContact CE2-CG1 4.16Å; F55-V111 HydrophobicContact CZ-CG1 3.65Å; F55-W122 HydrophobicContact CB-CH2 3.66Å; F55-W122 HydrophobicContact CB-CZ2 4.16Å; F55-W122 HydrophobicContact CB-CZ3 4.22Å
56F98.6Very high95.5Very high2 Ų233 Ų331%0.00917%0.165CC..EExtended strand (participates in β ladder)trans-134.4120.2174.3-53-89.3000108.3V18 F22 L36 G38 E39 Q54 F58 V63 Y74V18-F56 HydrophobicContact CB-CD1 4.42Å; V18-F56 HydrophobicContact CB-CE1 4.29Å; V18-F56 HydrophobicContact CG1-CD1 3.83Å; V18-F56 HydrophobicContact CG1-CD2 3.94Å; V18-F56 HydrophobicContact CG1-CE1 3.79Å; V18-F56 HydrophobicContact CG1-CE2 3.89Å; V18-F56 HydrophobicContact CG1-CG 3.9Å; V18-F56 HydrophobicContact CG1-CZ 3.81Å; V18-F56 HydrophobicContact CG2-CD1 3.64Å; V18-F56 HydrophobicContact CG2-CE1 3.61Å; V18-F56 HydrophobicContact CG2-CG 4.43Å; V18-F56 HydrophobicContact CG2-CZ 4.38Å; F22-F56 HydrophobicContact CE2-CD2 4.24Å; F22-F56 AromaticContact CE2-CE2 3.74Å; F22-F56 HydrophobicContact CE2-CE2 3.74Å; F22-F56 HydrophobicContact CZ-CE2 4.01Å; L36-F56 HydrophobicContact CD1-CB 4.02Å; L36-F56 HydrophobicContact CD1-CD1 4.36Å; G38-F56 CarbonylContact O-C 3.58Å; G38-F56 WeakPolarHBondContact O-CA 3.38Å; E39-F56 HydrophobicContact CB-CD1 3.61Å; E39-F56 HydrophobicContact CB-CE1 4.02Å; E39-F56 VanDerWaalsContact OE2-CE1 3.22Å; E39-F56 WeakPolarHBondContact OE2-CE1 3.38Å; Q54-F56 HydrophobicContact CB-CE2 4.26Å; Q54-F56 HydrophobicContact CB-CZ 4.47Å; Q54-F56 HydrophobicContact CG-CD2 4.25Å; Q54-F56 HydrophobicContact CG-CE1 4.02Å; Q54-F56 HydrophobicContact CG-CE2 3.4Å; Q54-F56 HydrophobicContact CG-CZ 3.26Å; F56-F58 HydrophobicContact CB-CD2 4.38Å; F56-F58 HydrophobicContact CB-CE2 3.74Å; F56-F58 HydrophobicContact CB-CZ 4.45Å; F56-V63 HydrophobicContact CB-CB 4.29Å; F56-V63 HydrophobicContact CD2-CB 4.45Å; F56-V63 HydrophobicContact CD2-CG1 4.46Å; F56-V63 PolarHBondContact N-O 3.16Å; F56-V63 PolarHBondContact O-N 3.25Å; F56-Y74 HydrophobicContact CE2-CD2 4.16Å; F56-Y74 HydrophobicContact CE2-CE2 4.23Å; F56-Y74 AromaticContact CZ-CD2 3.92Å; F56-Y74 HydrophobicContact CZ-CD2 3.92Å; F56-Y74 AromaticContact CZ-CE2 3.56Å; F56-Y74 HydrophobicContact CZ-CE2 3.56Å
57L98.7Very high95.9Very high1 Ų134.2 Ų34.21%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-93.5120172.5-178.162000109.3I37 G38 L62 L82 W122 H125 I126I37-L57 WeakPolarHBondContact CA-O 3.43Å; I37-L57 HydrophobicContact CB-CB 4.42Å; I37-L57 HydrophobicContact CB-CD2 4.2Å; I37-L57 HydrophobicContact CB-CG 4.11Å; I37-L57 WeakPolarHBondContact CB-O 3.38Å; I37-L57 HydrophobicContact CG2-CD2 4.05Å; I37-L57 HydrophobicContact CG2-CG 4.5Å; I37-L57 PolarHBondContact N-O 2.76Å; G38-L57 PolarHBondContact N-O 3.12Å; G38-L57 PolarHBondContact O-N 3.22Å; L57-L62 HydrophobicContact CB-CD1 4.46Å; L57-L62 HydrophobicContact CD1-CD1 4.19Å; L57-L82 HydrophobicContact CD1-CD1 3.84Å; L57-L82 HydrophobicContact CD1-CD2 4.23Å; L57-W122 HydrophobicContact CB-CE3 4.42Å; L57-W122 HydrophobicContact CB-CH2 4.25Å; L57-W122 HydrophobicContact CB-CZ3 3.67Å; L57-H125 HydrophobicContact CD2-CB 3.43Å; L57-H125 VanDerWaalsContact CD2-CB 3.43Å; L57-I126 HydrophobicContact CD1-CG1 3.91Å; L57-I126 HydrophobicContact CD2-CG1 4.01Å
58F98.4Very high96.3Very high0 Ų035 Ų350%018%0.18CC..EExtended strand (participates in β ladder)trans-101169.2163.8-60.1-97.1000109.8I15 V18 L29 R34 V35 L36 F56 D60 I61 V63 L82I15-F58 HydrophobicContact CD1-CD1 4.33Å; I15-F58 HydrophobicContact CD1-CE1 3.99Å; I15-F58 HydrophobicContact CG1-CE1 3.88Å; I15-F58 HydrophobicContact CG2-CE1 4.12Å; V18-F58 HydrophobicContact CG1-CZ 4.5Å; L29-F58 HydrophobicContact CB-CZ 4.31Å; L29-F58 HydrophobicContact CD1-CE2 4.07Å; L29-F58 HydrophobicContact CD1-CZ 3.79Å; R34-F58 HydrophobicContact CG-CB 3.95Å; R34-F58 HydrophobicContact CG-CD1 3.55Å; R34-F58 HydrophobicContact CG-CE1 4.37Å; R34-F58 HydrophobicContact CG-CG 4.05Å; V35-F58 CarbonylContact O-C 3.54Å; V35-F58 WeakPolarHBondContact O-CA 3.39Å; L36-F58 HydrophobicContact CB-CD1 4.17Å; L36-F58 HydrophobicContact CB-CE1 4.01Å; L36-F58 HydrophobicContact CD1-CD1 4.21Å; L36-F58 HydrophobicContact CD1-CD2 4.46Å; L36-F58 HydrophobicContact CD1-CE1 3.91Å; L36-F58 HydrophobicContact CD1-CE2 4.13Å; L36-F58 HydrophobicContact CD1-CZ 3.85Å; F56-F58 HydrophobicContact CB-CD2 4.38Å; F56-F58 HydrophobicContact CB-CE2 3.74Å; F56-F58 HydrophobicContact CB-CZ 4.45Å; F58-D60 PolarHBondContact O-N 2.83Å; F58-I61 WeakPolarHBondContact CA-O 3.34Å; F58-I61 HydrophobicContact CB-CG1 3.7Å; F58-I61 WeakPolarHBondContact CB-O 3.34Å; F58-I61 HydrophobicContact CD2-CD1 4.09Å; F58-I61 HydrophobicContact CD2-CG1 3.73Å; F58-I61 HydrophobicContact CG-CD1 4.41Å; F58-I61 HydrophobicContact CG-CG1 3.91Å; F58-I61 PolarHBondContact N-O 3.32Å; F58-V63 HydrophobicContact CD2-CG2 3.89Å; F58-V63 HydrophobicContact CE2-CB 4.19Å; F58-V63 HydrophobicContact CE2-CG2 3.68Å; F58-L82 WeakPolarHBondContact O-CD1 3.47Å
59N96.5Very high96.7Very high23 Ų2333.1 Ų33.112%0.12318%0.175CC..SBendtrans-67.3-18.1177.561.9-32000114V2 G33 R34 V35 I37 L133V2-N59 HydrophobicContact CG1-CB 4.16Å; G33-N59 PolarHBondContact O-ND2 2.77Å; R34-N59 WeakPolarHBondContact CA-OD1 3.06Å; V35-N59 PolarHBondContact N-OD1 3.32Å; V35-N59 PolarHBondContact O-N 3.33Å; I37-N59 HydrophobicContact CD1-CB 4.31Å; I37-N59 HydrophobicContact CG1-CB 4.35Å; N59-L133 VanDerWaalsContact O-CD1 3.31Å; N59-L133 WeakPolarHBondContact O-CD1 3.25Å; N59-L133 WeakPolarHBondContact O-CG 3.44Å
60D96.7Very high96.8Very high34 Ų3433 Ų3318%0.18218%0.177CC..SBendtrans-123.7-22.7-176.767.5-34.9000114.4R34 F58 L82 L133R34-D60 WeakPolarHBondContact CD-OD1 3.26Å; R34-D60 WeakPolarHBondContact CG-OD1 3.48Å; R34-D60 IonicContact CZ-OD1 2.85Å; R34-D60 IonicContact CZ-OD2 2.71Å; R34-D60 VanDerWaalsContact CZ-OD2 3.26Å; R34-D60 VanDerWaalsContact NE-CG 3.3Å; R34-D60 IonicContact NE-OD1 3.26Å; R34-D60 PolarHBondContact NE-OD1 2.89Å; R34-D60 IonicContact NE-OD2 2.7Å; R34-D60 PolarHBondContact NE-OD2 3.09Å; R34-D60 IonicContact NH2-OD1 2.64Å; R34-D60 IonicContact NH2-OD2 2.96Å; R34-D60 PolarHBondContact NH2-OD2 3.09Å; F58-D60 PolarHBondContact O-N 2.83Å; D60-L82 WeakPolarHBondContact O-CB 3.47Å; D60-L82 PolarHBondContact O-N 2.85Å; D60-L133 HydrophobicContact CB-CD2 4.03Å
61I97.9Very high96.7Very high9 Ų937.9 Ų37.95%0.04619%0.191CC..EExtended strand (participates in β ladder)trans-135.3151.8-17861.5174.4000112L29 R34 F58 V63 I79 I80L29-I61 HydrophobicContact CD2-CD1 3.97Å; R34-I61 VanDerWaalsContact CZ-CD1 3.47Å; F58-I61 WeakPolarHBondContact CA-O 3.34Å; F58-I61 HydrophobicContact CB-CG1 3.7Å; F58-I61 WeakPolarHBondContact CB-O 3.34Å; F58-I61 HydrophobicContact CD2-CD1 4.09Å; F58-I61 HydrophobicContact CD2-CG1 3.73Å; F58-I61 HydrophobicContact CG-CD1 4.41Å; F58-I61 HydrophobicContact CG-CG1 3.91Å; F58-I61 PolarHBondContact N-O 3.32Å; I61-V63 HydrophobicContact CD1-CG2 3.63Å; I61-V63 HydrophobicContact CG1-CG2 4.04Å; I61-I79 HydrophobicContact CB-CG2 4.11Å; I61-I79 HydrophobicContact CD1-CG2 3.86Å; I61-I79 HydrophobicContact CG2-CG2 4.06Å; I61-I80 CarbonylContact C-O 3.5Å; I61-I80 VanDerWaalsContact CA-O 3.27Å; I61-I80 WeakPolarHBondContact CA-O 3.2Å
62L98.4Very high96.6Very high1 Ų141.8 Ų41.81%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-106126163-179.970.6000108.4F55 L57 I80 L82 I102 W122F55-L62 HydrophobicContact CD1-CD1 4.17Å; F55-L62 HydrophobicContact CD1-CD2 4.29Å; F55-L62 HydrophobicContact CD1-CG 4.32Å; F55-L62 HydrophobicContact CE1-CD2 4.41Å; L57-L62 HydrophobicContact CB-CD1 4.46Å; L57-L62 HydrophobicContact CD1-CD1 4.19Å; L62-I80 HydrophobicContact CB-CB 4.34Å; L62-I80 PolarHBondContact N-O 3.37Å; L62-I80 PolarHBondContact O-N 3.18Å; L62-L82 HydrophobicContact CB-CD2 3.91Å; L62-I102 HydrophobicContact CD2-CD1 3.83Å; L62-I102 HydrophobicContact CD2-CG2 4.3Å; L62-W122 HydrophobicContact CD1-CZ3 4.01Å
63V98.4Very high96.6Very high0 Ų045 Ų450%021%0.213CC..EExtended strand (participates in β ladder)trans-114.2139.2178.6-175.40000109.6F22 L29 F55 F56 F58 I61 Q77 H78 I79F22-V63 HydrophobicContact CE2-CG1 4.18Å; F22-V63 HydrophobicContact CZ-CG1 4.21Å; L29-V63 HydrophobicContact CD1-CG2 4.43Å; L29-V63 HydrophobicContact CD2-CG2 3.96Å; F55-V63 CarbonylContact C-O 3.59Å; F55-V63 WeakPolarHBondContact CA-O 3.2Å; F56-V63 HydrophobicContact CB-CB 4.29Å; F56-V63 HydrophobicContact CD2-CB 4.45Å; F56-V63 HydrophobicContact CD2-CG1 4.46Å; F56-V63 PolarHBondContact N-O 3.16Å; F56-V63 PolarHBondContact O-N 3.25Å; F58-V63 HydrophobicContact CD2-CG2 3.89Å; F58-V63 HydrophobicContact CE2-CB 4.19Å; F58-V63 HydrophobicContact CE2-CG2 3.68Å; I61-V63 HydrophobicContact CD1-CG2 3.63Å; I61-V63 HydrophobicContact CG1-CG2 4.04Å; V63-Q77 HydrophobicContact CG1-CG 3.77Å; V63-H78 CarbonylContact C-O 3.5Å; V63-H78 VanDerWaalsContact CA-O 3.25Å; V63-H78 WeakPolarHBondContact CA-O 3.28Å; V63-I79 HydrophobicContact CG1-CG1 4.36Å; V63-I79 HydrophobicContact CG2-CG1 4.13Å; V63-I79 HydrophobicContact CG2-CG2 4.5Å
64Y98.4Very high96.6Very high7 Ų743.9 Ų43.93%0.02721%0.208CC..EExtended strand (participates in β ladder)trans-145.5159.7169.573-81.2000112.6K44 R53 Q54 F55 H78 I80 F109K44-Y64 HydrophobicContact CD-CD2 4.48Å; K44-Y64 HydrophobicContact CD-CE2 3.92Å; R53-Y64 HydrophobicContact CB-CD2 4.42Å; R53-Y64 HydrophobicContact CG-CD2 4.34Å; Q54-Y64 CarbonylContact O-C 3.55Å; Q54-Y64 WeakPolarHBondContact O-CA 3.49Å; Q54-Y64 WeakPolarHBondContact O-CB 3.38Å; F55-Y64 VanDerWaalsContact CD1-CB 3.45Å; F55-Y64 HydrophobicContact CD1-CD1 4.48Å; F55-Y64 HydrophobicContact CD1-CG 4.15Å; F55-Y64 VanDerWaalsContact CE1-CB 3.5Å; F55-Y64 AromaticContact CE1-CD1 3.95Å; F55-Y64 HydrophobicContact CE1-CD1 3.95Å; F55-Y64 HydrophobicContact CE1-CD2 4.36Å; F55-Y64 AromaticContact CE1-CG 3.69Å; F55-Y64 HydrophobicContact CE1-CG 3.69Å; F55-Y64 HydrophobicContact CZ-CD2 4.21Å; F55-Y64 AromaticContact CZ-CG 3.98Å; F55-Y64 HydrophobicContact CZ-CG 3.98Å; Y64-H78 HydrophobicContact CD1-CB 3.76Å; Y64-H78 AromaticContact CD2-CD2 3.92Å; Y64-H78 HydrophobicContact CE1-CB 3.32Å; Y64-H78 AromaticContact CE1-CG 3.91Å; Y64-H78 HydrophobicContact CE2-CB 4.19Å; Y64-H78 AromaticContact CE2-CD2 3.3Å; Y64-H78 WeakPolarHBondContact CE2-CD2 3.4Å; Y64-H78 AromaticContact CE2-CG 3.98Å; Y64-H78 HydrophobicContact CG-CB 4.34Å; Y64-H78 AromaticContact CZ-CD2 3.37Å; Y64-H78 AromaticContact CZ-CG 3.58Å; Y64-H78 PolarHBondContact N-O 3.32Å; Y64-H78 PolarHBondContact O-N 3.44Å; Y64-I80 HydrophobicContact CD1-CD1 4.19Å; Y64-I80 HydrophobicContact CE1-CD1 3.71Å; Y64-I80 HydrophobicContact CE1-CG1 4.48Å; Y64-F109 HydrophobicContact CD1-CZ 4.45Å; Y64-F109 HydrophobicContact CE1-CE1 4.25Å; Y64-F109 AromaticContact CE1-CZ 3.95Å; Y64-F109 HydrophobicContact CE1-CZ 3.95Å
65G97.3Very high96.5Very high0 Ų046.5 Ų46.50%022%0.223CC..EExtended strand (participates in β ladder)trans-158.1171.4177.800000113.8R53 Q54 N75 K76R53-G65 WeakPolarHBondContact CA-O 3.47Å; R53-G65 WeakPolarHBondContact CD-O 3.38Å; Q54-G65 PolarHBondContact N-O 2.99Å; Q54-G65 VanDerWaalsContact N-O 3.13Å; Q54-G65 PolarHBondContact O-N 2.93Å; G65-N75 CarbonylContact C-O 3.43Å; G65-N75 WeakPolarHBondContact CA-O 3.11Å; G65-K76 WeakPolarHBondContact CA-O 3.37Å
66N96.8Very high96.4Very high38 Ų3850.9 Ų50.920%0.20324%0.242CC..EExtended strand (participates in β ladder)trans-71.4140.7173.2-58.8-28.5000110.3R53 V68 Y74 N75 K76R53-N66 PolarHBondContact NE-OD1 3.45Å; R53-N66 PolarHBondContact NH1-OD1 2.98Å; R53-N66 PolarHBondContact NH2-OD1 2.89Å; N66-V68 PolarHBondContact O-N 2.9Å; N66-Y74 WeakPolarHBondContact O-CA 3.3Å; N66-N75 WeakPolarHBondContact CB-OD1 3.46Å; N66-N75 PolarHBondContact N-O 3.45Å; N66-N75 PolarHBondContact ND2-OD1 3.02Å; N66-N75 PolarHBondContact O-N 3.43Å; N66-N75 VanDerWaalsContact O-N 3.15Å; N66-K76 WeakPolarHBondContact ND2-CG 3.36Å
67I97.1Very high96.3Very high54 Ų5451.9 Ų51.928%0.27725%0.247SC..EExtended strand (participates in β ladder)trans-83.7112.6172.4-57.1169.8000108.2V41 A52 Q54 Q70 Y74V41-I67 HydrophobicContact CG1-CD1 3.92Å; V41-I67 HydrophobicContact CG2-CD1 3.81Å; A52-I67 HydrophobicContact CB-CD1 4.39Å; Q54-I67 HydrophobicContact CB-CD1 4.38Å; Q54-I67 HydrophobicContact CB-CG1 3.96Å; I67-Q70 HydrophobicContact CG2-CB 4.22Å; I67-Y74 HydrophobicContact CG1-CD1 4.4Å; I67-Y74 HydrophobicContact CG1-CE1 4.28Å; I67-Y74 HydrophobicContact CG2-CE1 4.33Å
68V96.2Very high96.2Very high71 Ų7153 Ų5343%0.4325%0.252SS..EExtended strand (participates in β ladder)trans-93.2-50.9172-173.50000109N66 K73 N75N66-V68 PolarHBondContact O-N 2.9Å; V68-K73 WeakPolarHBondContact CA-O 3.49Å; V68-K73 HydrophobicContact CB-CB 4.2Å; V68-K73 HydrophobicContact CB-CD 4.38Å; V68-K73 HydrophobicContact CB-CG 4.08Å; V68-K73 WeakPolarHBondContact CB-O 3.21Å; V68-K73 HydrophobicContact CG1-CD 4.17Å; V68-K73 HydrophobicContact CG1-CG 4.41Å; V68-K73 HydrophobicContact CG2-CG 4.45Å; V68-K73 PolarHBondContact N-O 2.87Å; V68-N75 HydrophobicContact CG2-CB 4.15Å; V68-N75 WeakPolarHBondContact CG2-ND2 3.41Å
69I94.1Very high96.2Very high86 Ų8656 Ų5644%0.44127%0.267SS..EExtended strand (participates in β ladder)trans-136.5117.9172.6-52.2175.2000106.7K71 K72 K73I69-K71 PolarHBondContact O-N 3.45Å; I69-K72 HydrophobicContact CB-CB 4.01Å; I69-K72 HydrophobicContact CG2-CB 3.78Å; I69-K72 HydrophobicContact CG2-CD 3.94Å; I69-K72 HydrophobicContact CG2-CG 4.19Å; I69-K72 PolarHBondContact O-N 3.25Å; I69-K73 HydrophobicContact CB-CB 4.09Å; I69-K73 HydrophobicContact CD1-CB 4.37Å; I69-K73 HydrophobicContact CG1-CB 4.22Å; I69-K73 PolarHBondContact N-O 2.91Å; I69-K73 PolarHBondContact O-N 3.02Å
70Q90.9Very high96.2Very high129 Ų12955.7 Ų55.760%0.60327%0.265SS*.THydrogen-bonded Turntrans-53.6129.8-176-166178.118.500110.9I67 K72I67-Q70 HydrophobicContact CG2-CB 4.22Å; Q70-K72 PolarHBondContact O-N 2.82Å
71K88.8Confident96.2Very high170 Ų17058 Ų5874%0.73928%0.283SS*.THydrogen-bonded Turntrans59.78.7-177.6-60.5-178.9179.9-174.50116.1I69 Y74I69-K71 PolarHBondContact O-N 3.45Å; K71-Y74 WeakPolarHBondContact CA-OH 3.21Å; K71-Y74 PolarHBondContact N-OH 2.94Å
72K93.6Very high96Very high162 Ų16257.6 Ų57.670%0.70428%0.28SS*.THydrogen-bonded Turntrans-127.5-39.9-179.5-66-172.8178.7-177.90113.8I69 Q70I69-K72 HydrophobicContact CB-CB 4.01Å; I69-K72 HydrophobicContact CG2-CB 3.78Å; I69-K72 HydrophobicContact CG2-CD 3.94Å; I69-K72 HydrophobicContact CG2-CG 4.19Å; I69-K72 PolarHBondContact O-N 3.25Å; Q70-K72 PolarHBondContact O-N 2.82Å
73K96.6Very high95.7Very high117 Ų11760.5 Ų60.551%0.50929%0.294SS..EExtended strand (participates in β ladder)trans-148.4126.1-174-169.3173.8-178.7175.80112.3C21 V68 I69C21-K73 CarbonylContact O-C 3.58Å; C21-K73 WeakPolarHBondContact O-CA 3.43Å; V68-K73 WeakPolarHBondContact CA-O 3.49Å; V68-K73 HydrophobicContact CB-CB 4.2Å; V68-K73 HydrophobicContact CB-CD 4.38Å; V68-K73 HydrophobicContact CB-CG 4.08Å; V68-K73 WeakPolarHBondContact CB-O 3.21Å; V68-K73 HydrophobicContact CG1-CD 4.17Å; V68-K73 HydrophobicContact CG1-CG 4.41Å; V68-K73 HydrophobicContact CG2-CG 4.45Å; V68-K73 PolarHBondContact N-O 2.87Å; I69-K73 HydrophobicContact CB-CB 4.09Å; I69-K73 HydrophobicContact CD1-CB 4.37Å; I69-K73 HydrophobicContact CG1-CB 4.22Å; I69-K73 PolarHBondContact N-O 2.91Å; I69-K73 PolarHBondContact O-N 3.02Å
74Y97.5Very high95.3Very high7 Ų761.1 Ų61.13%0.02730%0.3CS..EExtended strand (participates in β ladder)trans-124.5155.8174.8-51.1-46.2000110.4C21 F22 Q54 F56 N66 I67 K71C21-Y74 HydrophobicContact CB-CD2 3.3Å; C21-Y74 HydrophobicContact CB-CE2 3.46Å; C21-Y74 VanDerWaalsContact CB-CE2 3.46Å; C21-Y74 HydrophobicContact CB-CG 4.25Å; C21-Y74 PolarHBondContact O-N 2.8Å; F22-Y74 HydrophobicContact CE2-CD2 4.35Å; F22-Y74 HydrophobicContact CZ-CD2 4.4Å; Q54-Y74 HydrophobicContact CB-CD1 4.15Å; Q54-Y74 HydrophobicContact CB-CE1 3.89Å; Q54-Y74 HydrophobicContact CB-CE2 4.44Å; Q54-Y74 HydrophobicContact CG-CD2 4.41Å; Q54-Y74 HydrophobicContact CG-CE1 4.08Å; Q54-Y74 HydrophobicContact CG-CE2 3.9Å; F56-Y74 HydrophobicContact CE2-CD2 4.16Å; F56-Y74 HydrophobicContact CE2-CE2 4.23Å; F56-Y74 AromaticContact CZ-CD2 3.92Å; F56-Y74 HydrophobicContact CZ-CD2 3.92Å; F56-Y74 AromaticContact CZ-CE2 3.56Å; F56-Y74 HydrophobicContact CZ-CE2 3.56Å; N66-Y74 WeakPolarHBondContact O-CA 3.3Å; I67-Y74 HydrophobicContact CG1-CD1 4.4Å; I67-Y74 HydrophobicContact CG1-CE1 4.28Å; I67-Y74 HydrophobicContact CG2-CE1 4.33Å; K71-Y74 WeakPolarHBondContact CA-OH 3.21Å; K71-Y74 PolarHBondContact N-OH 2.94Å
75N96.9Very high95.2Very high66 Ų6661 Ų6135%0.35330%0.3SS..EExtended strand (participates in β ladder)trans-143176172.575.223.7000111.2G65 N66 V68G65-N75 CarbonylContact C-O 3.43Å; G65-N75 WeakPolarHBondContact CA-O 3.11Å; N66-N75 WeakPolarHBondContact CB-OD1 3.46Å; N66-N75 PolarHBondContact N-O 3.45Å; N66-N75 PolarHBondContact ND2-OD1 3.02Å; N66-N75 PolarHBondContact O-N 3.43Å; N66-N75 VanDerWaalsContact O-N 3.15Å; V68-N75 HydrophobicContact CG2-CB 4.15Å; V68-N75 WeakPolarHBondContact CG2-ND2 3.41Å
76K95.6Very high95.1Very high92 Ų9263 Ų6340%0.431%0.312SS..EExtended strand (participates in β ladder)trans52.160.3-175.3-62.3-76.4-168.2159.70110.4G65 N66 H78 D241G65-K76 WeakPolarHBondContact CA-O 3.37Å; N66-K76 WeakPolarHBondContact ND2-CG 3.36Å; K76-H78 PolarHBondContact O-CD2 3.18Å; K76-H78 PolarHBondContact O-N 3.18Å; K76-D241 WeakPolarHBondContact CE-OD2 3.5Å; K76-D241 IonicContact NZ-OD2 3.55Å; K76-D241 PolarHBondContact NZ-OD2 3.36Å
77Q97.8Very high95.1Very high22 Ų2263 Ų6310%0.10331%0.312CS..EExtended strand (participates in β ladder)trans-68.4122.7179.8-171.1-165.843.100108.9F22 Q27 V63 I79F22-Q77 HydrophobicContact CD1-CB 3.62Å; F22-Q77 HydrophobicContact CD1-CG 3.94Å; F22-Q77 HydrophobicContact CD2-CG 4.27Å; F22-Q77 HydrophobicContact CE1-CB 3.62Å; F22-Q77 HydrophobicContact CE1-CG 3.79Å; F22-Q77 HydrophobicContact CE2-CG 4.14Å; F22-Q77 HydrophobicContact CG-CB 4.23Å; F22-Q77 HydrophobicContact CG-CG 4.18Å; F22-Q77 HydrophobicContact CZ-CB 4.25Å; F22-Q77 HydrophobicContact CZ-CG 3.9Å; Q27-Q77 PolarHBondContact O-NE2 3.44Å; V63-Q77 HydrophobicContact CG1-CG 3.77Å; Q77-I79 HydrophobicContact CG-CG1 4.24Å
78H96.9Very high95.1Very high25 Ų2563.8 Ų63.812%0.11632%0.317CS..EExtended strand (participates in β ladder)trans-112.7129172.1-62-74.5000108.9V63 Y64 K76 D237 D239V63-H78 CarbonylContact C-O 3.5Å; V63-H78 VanDerWaalsContact CA-O 3.25Å; V63-H78 WeakPolarHBondContact CA-O 3.28Å; Y64-H78 HydrophobicContact CD1-CB 3.76Å; Y64-H78 AromaticContact CD2-CD2 3.92Å; Y64-H78 HydrophobicContact CE1-CB 3.32Å; Y64-H78 AromaticContact CE1-CG 3.91Å; Y64-H78 HydrophobicContact CE2-CB 4.19Å; Y64-H78 AromaticContact CE2-CD2 3.3Å; Y64-H78 WeakPolarHBondContact CE2-CD2 3.4Å; Y64-H78 AromaticContact CE2-CG 3.98Å; Y64-H78 HydrophobicContact CG-CB 4.34Å; Y64-H78 AromaticContact CZ-CD2 3.37Å; Y64-H78 AromaticContact CZ-CG 3.58Å; Y64-H78 PolarHBondContact N-O 3.32Å; Y64-H78 PolarHBondContact O-N 3.44Å; K76-H78 PolarHBondContact O-CD2 3.18Å; K76-H78 PolarHBondContact O-N 3.18Å; H78-D237 IonicContact ND1-OD2 2.88Å; H78-D239 IonicContact CE1-OD1 2.6Å; H78-D239 IonicContact CE1-OD2 3.24Å
79I97.5Very high95.1Very high64 Ų6464.7 Ų64.733%0.32832%0.323SS..EExtended strand (participates in β ladder)trans-114.2121.2179.3-59.8176.6000108.4Q27 L29 I61 V63 Q77Q27-I79 HydrophobicContact CB-CD1 3.85Å; Q27-I79 HydrophobicContact CG-CD1 4.48Å; L29-I79 HydrophobicContact CD2-CD1 3.68Å; L29-I79 HydrophobicContact CD2-CG1 4.26Å; I61-I79 HydrophobicContact CB-CG2 4.11Å; I61-I79 HydrophobicContact CD1-CG2 3.86Å; I61-I79 HydrophobicContact CG2-CG2 4.06Å; V63-I79 HydrophobicContact CG1-CG1 4.36Å; V63-I79 HydrophobicContact CG2-CG1 4.13Å; V63-I79 HydrophobicContact CG2-CG2 4.5Å; Q77-I79 HydrophobicContact CG-CG1 4.24Å
80I96.8Very high95.2Very high15 Ų1561.8 Ų61.88%0.07731%0.309CS..EExtended strand (participates in β ladder)trans-116.2114.4-178.6-61.9168000108.7I61 L62 Y64 L82 V85 T104 F109I61-I80 CarbonylContact C-O 3.5Å; I61-I80 VanDerWaalsContact CA-O 3.27Å; I61-I80 WeakPolarHBondContact CA-O 3.2Å; L62-I80 HydrophobicContact CB-CB 4.34Å; L62-I80 PolarHBondContact N-O 3.37Å; L62-I80 PolarHBondContact O-N 3.18Å; Y64-I80 HydrophobicContact CD1-CD1 4.19Å; Y64-I80 HydrophobicContact CE1-CD1 3.71Å; Y64-I80 HydrophobicContact CE1-CG1 4.48Å; I80-L82 PolarHBondContact O-N 2.98Å; I80-V85 HydrophobicContact CG2-CG2 3.58Å; I80-T104 HydrophobicContact CD1-CG2 4.25Å; I80-T104 HydrophobicContact CG2-CG2 3.71Å; I80-F109 HydrophobicContact CD1-CE1 3.97Å; I80-F109 HydrophobicContact CD1-CZ 3.98Å
81P95.6Very high95.3Very high84 Ų8459.8 Ų59.855%0.54531%0.307SS..EExtended strand (participates in β ladder)trans-60.6126.2169.8-22.434000111.5E83 G84 V85P81-E83 PolarHBondContact O-N 3.16Å; P81-G84 PolarHBondContact O-N 3.13Å; P81-V85 WeakPolarHBondContact O-CG2 3.44Å
82L95.7Very high95.5Very high0 Ų055 Ų550%029%0.29CS..G310 helixtrans-68.6-22.9-176.8-73.9-177.7000113.3L57 F58 D60 L62 I80 G84 V85 I126 C129 V130 L133L57-L82 HydrophobicContact CD1-CD1 3.84Å; L57-L82 HydrophobicContact CD1-CD2 4.23Å; F58-L82 WeakPolarHBondContact O-CD1 3.47Å; D60-L82 WeakPolarHBondContact O-CB 3.47Å; D60-L82 PolarHBondContact O-N 2.85Å; L62-L82 HydrophobicContact CB-CD2 3.91Å; I80-L82 PolarHBondContact O-N 2.98Å; L82-G84 PolarHBondContact O-N 3.17Å; L82-G84 VanDerWaalsContact O-N 3.11Å; L82-V85 HydrophobicContact CD2-CB 4.37Å; L82-V85 HydrophobicContact CD2-CG2 4.14Å; L82-V85 WeakPolarHBondContact O-CB 3.47Å; L82-V85 PolarHBondContact O-N 3.42Å; L82-I126 HydrophobicContact CD2-CG2 4.46Å; L82-C129 HydrophobicContact CD1-CB 3.58Å; L82-V130 HydrophobicContact CB-CG2 4.11Å; L82-V130 HydrophobicContact CD2-CG2 4.46Å; L82-V130 WeakPolarHBondContact O-CG2 3.5Å; L82-L133 HydrophobicContact CB-CD1 3.48Å; L82-L133 VanDerWaalsContact CB-CD1 3.48Å; L82-L133 HydrophobicContact CD1-CD1 4.25Å; L82-L133 HydrophobicContact CG-CD1 4.48Å
83E91.2Very high95.2Very high62 Ų6254.2 Ų54.229%0.2929%0.288SS..G310 helixtrans-56.1-30.7178.5-172.3169.6-13300112.9P81 L134 S137 K139P81-E83 PolarHBondContact O-N 3.16Å; E83-L134 HydrophobicContact CG-CD2 3.95Å; E83-S137 PolarHBondContact OE1-OG 2.79Å; E83-K139 WeakPolarHBondContact OE1-CD 3.44Å; E83-K139 WeakPolarHBondContact OE1-CE 3.18Å; E83-K139 IonicContact OE1-NZ 3.64Å; E83-K139 PolarHBondContact OE1-NZ 3.28Å; E83-K139 IonicContact OE2-NZ 2.94Å; E83-K139 PolarHBondContact OE2-NZ 3.06Å
84G90.6Very high94.6Very high13 Ų1351.9 Ų51.913%0.13430%0.298CS..G310 helixtrans-93.86.3177.500000115P81 L82 P105 T142 H145P81-G84 PolarHBondContact O-N 3.13Å; L82-G84 PolarHBondContact O-N 3.17Å; L82-G84 VanDerWaalsContact O-N 3.11Å; G84-P105 WeakPolarHBondContact O-CD 3.37Å; G84-T142 VanDerWaalsContact O-CG2 3.26Å; G84-T142 WeakPolarHBondContact O-CG2 3.5Å; G84-H145 PolarHBondContact O-CE1 3.18Å; G84-H145 VanDerWaalsContact O-CE1 3.26Å
85V95.1Very high94Very high5 Ų560.5 Ų60.53%0.0334%0.338CS..  trans-97.8128.7-170.1177.40000111.7I80 P81 L82 I87 I102 K103 T104 I126 V130I80-V85 HydrophobicContact CG2-CG2 3.58Å; P81-V85 WeakPolarHBondContact O-CG2 3.44Å; L82-V85 HydrophobicContact CD2-CB 4.37Å; L82-V85 HydrophobicContact CD2-CG2 4.14Å; L82-V85 WeakPolarHBondContact O-CB 3.47Å; L82-V85 PolarHBondContact O-N 3.42Å; V85-I87 HydrophobicContact CG1-CG2 4.19Å; V85-I102 HydrophobicContact CG1-CG2 4.07Å; V85-K103 WeakPolarHBondContact CA-O 3.37Å; V85-T104 HydrophobicContact CG2-CG2 4.22Å; V85-I126 HydrophobicContact CG1-CG2 4.3Å; V85-V130 HydrophobicContact CB-CG2 4.37Å
86T95.6Very high93.5Very high40 Ų4060.1 Ų60.125%0.24534%0.336CS..EExtended strand (participates in β ladder)trans-118.1154.7161.761.70000109.9K103 H145T86-K103 PolarHBondContact N-O 3.01Å; T86-K103 VanDerWaalsContact N-O 3.08Å; T86-K103 PolarHBondContact O-N 3.29Å; T86-K103 WeakPolarHBondContact OG1-CB 3.22Å; T86-H145 VanDerWaalsContact CG2-NE2 3.33Å; T86-H145 WeakPolarHBondContact CG2-NE2 3.48Å; T86-H145 PolarHBondContact OG1-CD2 3Å; T86-H145 PolarHBondContact OG1-CE1 3.24Å; T86-H145 VanDerWaalsContact OG1-CE1 3.32Å; T86-H145 PolarHBondContact OG1-NE2 3.19Å
87I96.8Very high93.4Very high39 Ų3962.7 Ų62.720%0.234%0.343CS..EExtended strand (participates in β ladder)trans-130.5141.6-179.659.2175.5000110.7V85 L101 I102 M123 I126V85-I87 HydrophobicContact CG1-CG2 4.19Å; I87-L101 VanDerWaalsContact CA-O 3.22Å; I87-L101 WeakPolarHBondContact CA-O 3.28Å; I87-I102 HydrophobicContact CG2-CG1 4.44Å; I87-M123 HydrophobicContact CD1-CB 3.94Å; I87-M123 HydrophobicContact CD1-CE 4.22Å; I87-M123 HydrophobicContact CD1-CG 4.28Å; I87-M123 VanDerWaalsContact CD1-O 3.28Å; I87-M123 WeakPolarHBondContact CD1-O 3.28Å; I87-M123 HydrophobicContact CG1-CE 4.46Å; I87-I126 HydrophobicContact CD1-CB 4.35Å; I87-I126 HydrophobicContact CD1-CG2 4.27Å; I87-I126 HydrophobicContact CG2-CG2 3.9Å
88D96.6Very high93.4Very high71 Ų7162.9 Ų62.938%0.3835%0.345SS..EExtended strand (participates in β ladder)trans-138.4140.9177.1-69.6-59.4000110.4W100 L101 K103D88-W100 CarbonylContact O-C 3.51Å; D88-W100 VanDerWaalsContact O-CA 3.26Å; D88-W100 WeakPolarHBondContact O-CA 3.33Å; D88-W100 WeakPolarHBondContact O-CB 3.12Å; D88-L101 HydrophobicContact CB-CB 4.43Å; D88-L101 PolarHBondContact N-O 2.93Å; D88-L101 PolarHBondContact O-N 2.9Å; D88-K103 WeakPolarHBondContact OD2-CE 3.41Å; D88-K103 IonicContact OD2-NZ 3.81Å; D88-K103 PolarHBondContact OD2-NZ 2.79Å
89T97.3Very high93.5Very high90 Ų9061.7 Ų61.755%0.55234%0.339SS*.EExtended strand (participates in β ladder)trans-63.4138.9175.2-74.50000111
90V95.1Very high93.5Very high24 Ų2458.7 Ų58.715%0.14532%0.324CS..PPolyproline II helixtrans-99.8131.6165.4179.20000107.9G99 L101V90-G99 PolarHBondContact N-O 2.83Å; V90-L101 HydrophobicContact CG2-CD2 3.67Å; V90-L101 HydrophobicContact CG2-CG 3.66Å
91P93.8Very high93.5Very high88 Ų8859.6 Ų59.657%0.57133%0.329SS*.PPolyproline II helixtrans-59150172-23.134.4000111.9
92D93Very high93.6Very high69 Ų6955.6 Ų55.637%0.36930%0.303SS..PPolyproline II helixtrans-71.5128.8172.4-75.93.1000109.4L96 R97 N98D92-L96 WeakPolarHBondContact CA-O 3.31Å; D92-R97 HydrophobicContact CB-CG 4.23Å; D92-R97 WeakPolarHBondContact OD1-CA 3.44Å; D92-R97 IonicContact OD2-CZ 3.07Å; D92-R97 IonicContact OD2-NE 2.94Å; D92-R97 PolarHBondContact OD2-NE 3.35Å; D92-R97 IonicContact OD2-NH2 3.52Å; D92-R97 PolarHBondContact OD2-NH2 3Å; D92-N98 PolarHBondContact OD1-N 3.15Å
93E86.6Confident93.7Very high145 Ų14558.3 Ų58.368%0.67832%0.315SS*.BIsolated β-bridgetrans-135.9113.6178.1-70.7-173.2-173.600110.7E95 L96E93-E95 PolarHBondContact O-N 3.2Å; E93-L96 PolarHBondContact N-O 3.36Å; E93-L96 WeakPolarHBondContact O-CB 3.33Å; E93-L96 PolarHBondContact O-N 2.64Å
94G85.4Confident93.8Very high69 Ų6955.4 Ų55.471%0.71130%0.301SS*.THydrogen-bonded Turntrans56.4-124.9-175.900000112L96G94-L96 VanDerWaalsContact C-N 3.31Å
95E83.6Confident93.9Very high187 Ų18756.6 Ų56.687%0.87431%0.307SS*.THydrogen-bonded Turntrans-79.1-11.6178-59.3-55.7130.400113.5E93 R97E93-E95 PolarHBondContact O-N 3.2Å; E95-R97 PolarHBondContact O-N 2.82Å
96L86.6Confident93.7Very high59 Ų5960.4 Ų60.431%0.30933%0.33SS..BIsolated β-bridgetrans-85.896.7179.2-65.8179.5000109.5D92 E93 G94 Y112D92-L96 WeakPolarHBondContact CA-O 3.31Å; E93-L96 PolarHBondContact N-O 3.36Å; E93-L96 WeakPolarHBondContact O-CB 3.33Å; E93-L96 PolarHBondContact O-N 2.64Å; G94-L96 VanDerWaalsContact C-N 3.31Å; L96-Y112 HydrophobicContact CB-CD1 4.3Å; L96-Y112 HydrophobicContact CB-CE1 3.68Å; L96-Y112 HydrophobicContact CD2-CE1 4.48Å; L96-Y112 HydrophobicContact CD2-CE2 4.48Å
97R94.9Very high93.6Very high146 Ų14661.8 Ų61.855%0.55133%0.332SS*.  trans-121.6155.7-177.6-56.2-168.168.5-1773.2112.3D92 E95 Y112D92-R97 HydrophobicContact CB-CG 4.23Å; D92-R97 WeakPolarHBondContact OD1-CA 3.44Å; D92-R97 IonicContact OD2-CZ 3.07Å; D92-R97 IonicContact OD2-NE 2.94Å; D92-R97 PolarHBondContact OD2-NE 3.35Å; D92-R97 IonicContact OD2-NH2 3.52Å; D92-R97 PolarHBondContact OD2-NH2 3Å; E95-R97 PolarHBondContact O-N 2.82Å; R97-Y112 WeakPolarHBondContact O-CD1 3.26Å
98N97.5Very high93.5Very high26 Ų2660.3 Ų60.314%0.13933%0.326CS..SBendtrans64.737.5177.7-42.7-57000113.2D92 A113 A114 A116 K119D92-N98 PolarHBondContact OD1-N 3.15Å; N98-A113 PolarHBondContact O-N 2.87Å; N98-A114 PolarHBondContact ND2-O 2.86Å; N98-A116 WeakPolarHBondContact OD1-CA 3.38Å; N98-A116 PolarHBondContact OD1-N 2.61Å; N98-K119 HydrophobicContact CB-CB 4.12Å; N98-K119 HydrophobicContact CB-CD 4.16Å
99G97.4Very high93.5Very high0 Ų057.2 Ų57.20%031%0.309CS..EExtended strand (participates in β ladder)trans-90.4151.6-176.900000115.7V90 V111 K119V90-G99 PolarHBondContact N-O 2.83Å; G99-V111 CarbonylContact C-O 3.56Å; G99-V111 VanDerWaalsContact CA-O 3.26Å; G99-V111 WeakPolarHBondContact CA-O 3.22Å; G99-K119 WeakPolarHBondContact O-CE 3.27Å; G99-K119 PolarHBondContact O-NZ 2.99Å
100W98.3Very high93.5Very high0 Ų053.1 Ų53.10%028%0.284CS..EExtended strand (participates in β ladder)trans-147.3156.4164.871101.6000111.4L42 D88 A110 V111 A113 K119 W122 M123L42-W100 HydrophobicContact CD1-CH2 3.64Å; L42-W100 HydrophobicContact CD1-CZ2 3.63Å; L42-W100 HydrophobicContact CD2-CH2 3.7Å; L42-W100 HydrophobicContact CG-CH2 4.3Å; D88-W100 CarbonylContact O-C 3.51Å; D88-W100 VanDerWaalsContact O-CA 3.26Å; D88-W100 WeakPolarHBondContact O-CA 3.33Å; D88-W100 WeakPolarHBondContact O-CB 3.12Å; W100-A110 WeakPolarHBondContact O-CA 3.4Å; W100-V111 HydrophobicContact CD2-CG2 3.6Å; W100-V111 HydrophobicContact CE3-CG2 4.06Å; W100-V111 HydrophobicContact CG-CG2 4.14Å; W100-V111 HydrophobicContact CH2-CG2 3.92Å; W100-V111 HydrophobicContact CZ2-CB 4.5Å; W100-V111 HydrophobicContact CZ2-CG2 3.41Å; W100-V111 VanDerWaalsContact CZ2-CG2 3.41Å; W100-V111 HydrophobicContact CZ3-CG2 4.2Å; W100-V111 PolarHBondContact N-O 3.19Å; W100-V111 PolarHBondContact O-N 3.38Å; W100-A113 HydrophobicContact CH2-CB 4.21Å; W100-A113 HydrophobicContact CZ3-CB 3.84Å; W100-K119 HydrophobicContact CE3-CB 4.26Å; W100-K119 HydrophobicContact CE3-CG 3.8Å; W100-K119 HydrophobicContact CZ3-CB 4.02Å; W100-K119 HydrophobicContact CZ3-CG 4.08Å; W100-W122 HydrophobicContact CH2-CB 3.82Å; W100-W122 HydrophobicContact CH2-CG 4.1Å; W100-W122 HydrophobicContact CZ2-CB 3.67Å; W100-W122 HydrophobicContact CZ2-CG 4.13Å; W100-M123 HydrophobicContact CB-CE 3.87Å; W100-M123 HydrophobicContact CB-CG 4.2Å; W100-M123 HydrophobicContact CB-SD 3.65Å; W100-M123 HydrophobicContact CD2-CG 3.94Å; W100-M123 HydrophobicContact CD2-SD 4.34Å; W100-M123 HydrophobicContact CG-CE 4.37Å; W100-M123 HydrophobicContact CG-CG 3.8Å; W100-M123 HydrophobicContact CG-SD 3.93Å
101L97.5Very high93.7Very high34 Ų3452 Ų5218%0.17828%0.277CS..EExtended strand (participates in β ladder)trans-86.2136.2172.1-61-177.5000109.6I87 D88 V90 K103 A110 V148I87-L101 VanDerWaalsContact CA-O 3.22Å; I87-L101 WeakPolarHBondContact CA-O 3.28Å; D88-L101 HydrophobicContact CB-CB 4.43Å; D88-L101 PolarHBondContact N-O 2.93Å; D88-L101 PolarHBondContact O-N 2.9Å; V90-L101 HydrophobicContact CG2-CD2 3.67Å; V90-L101 HydrophobicContact CG2-CG 3.66Å; L101-K103 HydrophobicContact CB-CG 4.31Å; L101-A110 HydrophobicContact CD2-CB 3.76Å; L101-V148 HydrophobicContact CD1-CG2 4.31Å; L101-V148 HydrophobicContact CD2-CG1 4.39Å; L101-V148 HydrophobicContact CD2-CG2 4.03Å
102I97.6Very high93.9Very high0 Ų048.9 Ų48.90%025%0.254CS..EExtended strand (participates in β ladder)trans-106.7111.2162-62.2172000105.8L62 V85 I87 T104 S108 F109 V111L62-I102 HydrophobicContact CD2-CD1 3.83Å; L62-I102 HydrophobicContact CD2-CG2 4.3Å; V85-I102 HydrophobicContact CG1-CG2 4.07Å; I87-I102 HydrophobicContact CG2-CG1 4.44Å; I102-T104 HydrophobicContact CG2-CG2 4.05Å; I102-S108 VanDerWaalsContact O-CA 3.28Å; I102-S108 WeakPolarHBondContact O-CA 3.36Å; I102-F109 HydrophobicContact CB-CE2 4.15Å; I102-F109 HydrophobicContact CB-CZ 4.27Å; I102-F109 HydrophobicContact CD1-CE2 3.9Å; I102-F109 HydrophobicContact CD1-CZ 4.35Å; I102-F109 HydrophobicContact CG2-CZ 4.23Å; I102-F109 PolarHBondContact N-O 3.43Å; I102-F109 PolarHBondContact O-N 2.94Å; I102-V111 HydrophobicContact CD1-CG1 4.23Å; I102-V111 HydrophobicContact CD1-CG2 3.71Å; I102-V111 HydrophobicContact CG1-CG2 4.1Å
103K96.4Very high94.1Very high58 Ų5846 Ų4625%0.25224%0.24SC..EExtended strand (participates in β ladder)trans-102.3129.4-178.9-66.5177.1176.1175.90109.7V85 T86 D88 L101 S108 H145V85-K103 WeakPolarHBondContact CA-O 3.37Å; T86-K103 PolarHBondContact N-O 3.01Å; T86-K103 VanDerWaalsContact N-O 3.08Å; T86-K103 PolarHBondContact O-N 3.29Å; T86-K103 WeakPolarHBondContact OG1-CB 3.22Å; D88-K103 WeakPolarHBondContact OD2-CE 3.41Å; D88-K103 IonicContact OD2-NZ 3.81Å; D88-K103 PolarHBondContact OD2-NZ 2.79Å; L101-K103 HydrophobicContact CB-CG 4.31Å; K103-S108 WeakPolarHBondContact CA-OG 3.34Å; K103-H145 HydrophobicContact CB-CB 4.07Å
104T95Very high94.5Very high1 Ų143 Ų431%0.00624%0.24CC..  trans-137.9161.1-178.283.20000110I80 V85 I102 T106 K107 S108 H145 A146I80-T104 HydrophobicContact CD1-CG2 4.25Å; I80-T104 HydrophobicContact CG2-CG2 3.71Å; V85-T104 HydrophobicContact CG2-CG2 4.22Å; I102-T104 HydrophobicContact CG2-CG2 4.05Å; T104-T106 PolarHBondContact O-N 2.94Å; T104-T106 PolarHBondContact OG1-N 3.35Å; T104-T106 PolarHBondContact OG1-OG1 3.44Å; T104-K107 WeakPolarHBondContact CG2-O 3.41Å; T104-K107 PolarHBondContact OG1-N 3.15Å; T104-K107 PolarHBondContact OG1-O 3.4Å; T104-S108 PolarHBondContact N-OG 2.92Å; T104-S108 VanDerWaalsContact N-OG 3.14Å; T104-S108 PolarHBondContact O-OG 3.36Å; T104-H145 CarbonylContact O-C 3.56Å; T104-H145 WeakPolarHBondContact O-CA 3.34Å; T104-H145 WeakPolarHBondContact O-CB 3.42Å; T104-A146 PolarHBondContact O-N 2.85Å
105P91.6Very high95.1Very high38 Ų3842.9 Ų42.925%0.24723%0.226CC..SBendtrans-61.5-33.1178.5-24.336.5000113.2G84 T142 S195G84-P105 WeakPolarHBondContact O-CD 3.37Å; P105-T142 HydrophobicContact CG-CG2 4.39Å; P105-S195 CarbonylContact C-O 3.51Å
106T91.8Very high95.8Very high84 Ų8436.6 Ų36.652%0.51521%0.206SC..SBendtrans-94.4-43.8-173.455.30000112.7T104 A146 S195T104-T106 PolarHBondContact O-N 2.94Å; T104-T106 PolarHBondContact OG1-N 3.35Å; T104-T106 PolarHBondContact OG1-OG1 3.44Å; T106-A146 WeakPolarHBondContact O-CB 3.3Å; T106-S195 VanDerWaalsContact CA-O 3.28Å; T106-S195 WeakPolarHBondContact CA-O 3.16Å; T106-S195 WeakPolarHBondContact CG2-O 3.37Å
107K92.6Very high96.3Very high70 Ų7038.1 Ų38.130%0.30422%0.218SC..  trans-156.2116.7-173.3-168.7175.4-170.1175.60112T104 F109 D239T104-K107 WeakPolarHBondContact CG2-O 3.41Å; T104-K107 PolarHBondContact OG1-N 3.15Å; T104-K107 PolarHBondContact OG1-O 3.4Å; K107-F109 HydrophobicContact CG-CD1 4.45Å; K107-D239 IonicContact NZ-OD2 2.71Å; K107-D239 PolarHBondContact NZ-OD2 3.06Å
108S95.8Very high96.5Very high8 Ų834.5 Ų34.56%0.05621%0.207CC..BIsolated β-bridgetrans-102.3144.7175.6-570000111.2I102 K103 T104 A146I102-S108 VanDerWaalsContact O-CA 3.28Å; I102-S108 WeakPolarHBondContact O-CA 3.36Å; K103-S108 WeakPolarHBondContact CA-OG 3.34Å; T104-S108 PolarHBondContact N-OG 2.92Å; T104-S108 VanDerWaalsContact N-OG 3.14Å; T104-S108 PolarHBondContact O-OG 3.36Å; S108-A146 WeakPolarHBondContact CB-O 3.16Å; S108-A146 PolarHBondContact OG-O 2.89Å
109F96.6Very high96.5Very high5 Ų534.4 Ų34.42%0.02221%0.205CC..EExtended strand (participates in β ladder)trans-157.3155.5-177.452.2-90.2000112.3K44 F55 Y64 I80 I102 K107 V111K44-F109 HydrophobicContact CD-CD2 4.02Å; K44-F109 HydrophobicContact CD-CE2 4.24Å; K44-F109 HydrophobicContact CD-CG 4.4Å; K44-F109 VanDerWaalsContact CE-CG 3.43Å; K44-F109 HydrophobicContact CG-CD2 3.84Å; K44-F109 HydrophobicContact CG-CE2 4.37Å; K44-F109 HydrophobicContact CG-CG 4.4Å; F55-F109 HydrophobicContact CE1-CE2 4.08Å; F55-F109 HydrophobicContact CE1-CZ 4.38Å; F55-F109 HydrophobicContact CZ-CE2 4.07Å; Y64-F109 HydrophobicContact CD1-CZ 4.45Å; Y64-F109 HydrophobicContact CE1-CE1 4.25Å; Y64-F109 AromaticContact CE1-CZ 3.95Å; Y64-F109 HydrophobicContact CE1-CZ 3.95Å; I80-F109 HydrophobicContact CD1-CE1 3.97Å; I80-F109 HydrophobicContact CD1-CZ 3.98Å; I102-F109 HydrophobicContact CB-CE2 4.15Å; I102-F109 HydrophobicContact CB-CZ 4.27Å; I102-F109 HydrophobicContact CD1-CE2 3.9Å; I102-F109 HydrophobicContact CD1-CZ 4.35Å; I102-F109 HydrophobicContact CG2-CZ 4.23Å; I102-F109 PolarHBondContact N-O 3.43Å; I102-F109 PolarHBondContact O-N 2.94Å; K107-F109 HydrophobicContact CG-CD1 4.45Å; F109-V111 HydrophobicContact CD2-CG1 3.78Å; F109-V111 HydrophobicContact CE2-CG1 3.73Å
110A96.9Very high96.5Very high5 Ų538.1 Ų38.14%0.04123%0.231CC..EExtended strand (participates in β ladder)trans-86.5143.8170.300000110.9L45 W100 L101 Y112L45-A110 HydrophobicContact CB-CB 4.05Å; L45-A110 HydrophobicContact CD2-CB 4.31Å; L45-A110 PolarHBondContact N-O 3.17Å; W100-A110 WeakPolarHBondContact O-CA 3.4Å; L101-A110 HydrophobicContact CD2-CB 3.76Å; A110-Y112 HydrophobicContact CB-CE2 4Å
111V97.9Very high96.5Very high0 Ų043.1 Ų43.10%025%0.254CS..EExtended strand (participates in β ladder)trans-129.5153.1169.1-70.40000110L42 T43 K44 F55 G99 W100 I102 F109L42-V111 HydrophobicContact CB-CB 4.33Å; L42-V111 HydrophobicContact CD1-CB 4.33Å; L42-V111 HydrophobicContact CD1-CG2 4.3Å; T43-V111 CarbonylContact O-C 3.59Å; T43-V111 VanDerWaalsContact O-CA 3.28Å; T43-V111 WeakPolarHBondContact O-CA 3.36Å; K44-V111 HydrophobicContact CB-CG1 4.3Å; K44-V111 HydrophobicContact CG-CG1 4.36Å; F55-V111 HydrophobicContact CE1-CG1 4.33Å; F55-V111 HydrophobicContact CE2-CG1 4.16Å; F55-V111 HydrophobicContact CZ-CG1 3.65Å; G99-V111 CarbonylContact C-O 3.56Å; G99-V111 VanDerWaalsContact CA-O 3.26Å; G99-V111 WeakPolarHBondContact CA-O 3.22Å; W100-V111 HydrophobicContact CD2-CG2 3.6Å; W100-V111 HydrophobicContact CE3-CG2 4.06Å; W100-V111 HydrophobicContact CG-CG2 4.14Å; W100-V111 HydrophobicContact CH2-CG2 3.92Å; W100-V111 HydrophobicContact CZ2-CB 4.5Å; W100-V111 HydrophobicContact CZ2-CG2 3.41Å; W100-V111 VanDerWaalsContact CZ2-CG2 3.41Å; W100-V111 HydrophobicContact CZ3-CG2 4.2Å; W100-V111 PolarHBondContact N-O 3.19Å; W100-V111 PolarHBondContact O-N 3.38Å; I102-V111 HydrophobicContact CD1-CG1 4.23Å; I102-V111 HydrophobicContact CD1-CG2 3.71Å; I102-V111 HydrophobicContact CG1-CG2 4.1Å; F109-V111 HydrophobicContact CD2-CG1 3.78Å; F109-V111 HydrophobicContact CE2-CG1 3.73Å
112Y97.9Very high96.6Very high23 Ų2342.5 Ų42.59%0.0925%0.25CC..EExtended strand (participates in β ladder)trans-130.8132.4-179.7-61.8-98.2000109.3T43 L45 L96 R97 A110T43-Y112 PolarHBondContact N-O 2.74Å; T43-Y112 PolarHBondContact O-N 3.44Å; L45-Y112 HydrophobicContact CB-CE2 4.2Å; L45-Y112 HydrophobicContact CD2-CE2 4.37Å; L96-Y112 HydrophobicContact CB-CD1 4.3Å; L96-Y112 HydrophobicContact CB-CE1 3.68Å; L96-Y112 HydrophobicContact CD2-CE1 4.48Å; L96-Y112 HydrophobicContact CD2-CE2 4.48Å; R97-Y112 WeakPolarHBondContact O-CD1 3.26Å; A110-Y112 HydrophobicContact CB-CE2 4Å
113A98Very high96.6Very high8 Ų844.1 Ų44.17%0.06626%0.258CS..  trans-92162172.900000111.2L42 N98 W100 T115 E118 K119L42-A113 HydrophobicContact CD2-CB 3.94Å; N98-A113 PolarHBondContact O-N 2.87Å; W100-A113 HydrophobicContact CH2-CB 4.21Å; W100-A113 HydrophobicContact CZ3-CB 3.84Å; A113-T115 VanDerWaalsContact C-N 3.3Å; A113-E118 HydrophobicContact CB-CB 3.73Å; A113-K119 HydrophobicContact CB-CB 4.18Å
114A96.1Very high96.7Very high83 Ų8346 Ų4669%0.68627%0.27SS*.SBendtrans-71.7-31.2178.300000111.3N98 E118N98-A114 PolarHBondContact ND2-O 2.86Å; A114-E118 VanDerWaalsContact CB-OE2 3.31Å; A114-E118 WeakPolarHBondContact CB-OE2 3.43Å; A114-E118 PolarHBondContact N-OE2 3.28Å
115T97.1Very high96.9Very high65 Ų6549.5 Ų49.540%0.39929%0.287SS..SBendtrans-128.6157.8-179.970.60000113A113 T117 E118 K119A113-T115 VanDerWaalsContact C-N 3.3Å; T115-T117 VanDerWaalsContact C-N 3.26Å; T115-T117 PolarHBondContact O-N 2.78Å; T115-E118 PolarHBondContact N-OE2 3.01Å; T115-E118 PolarHBondContact O-N 2.98Å; T115-E118 WeakPolarHBondContact OG1-CB 3.42Å; T115-E118 WeakPolarHBondContact OG1-CG 3.39Å; T115-E118 PolarHBondContact OG1-N 3.39Å; T115-E118 VanDerWaalsContact OG1-N 3.09Å; T115-K119 PolarHBondContact O-N 3.14Å; T115-K119 VanDerWaalsContact O-N 3.09Å
116A97.6Very high97.2Very high55 Ų5547.8 Ų47.846%0.45528%0.275SS..Hα-helixtrans-61.2-36.9172.800000111.6N98 K119 S120N98-A116 WeakPolarHBondContact OD1-CA 3.38Å; N98-A116 PolarHBondContact OD1-N 2.61Å; A116-K119 WeakPolarHBondContact O-CB 3.45Å; A116-K119 PolarHBondContact O-N 3.41Å; A116-S120 WeakPolarHBondContact O-CB 3.2Å; A116-S120 PolarHBondContact O-N 3.42Å; A116-S120 PolarHBondContact O-OG 3.43Å
117T98.1Very high97.4Very high92 Ų9244.4 Ų44.456%0.56426%0.258SS*.Hα-helixtrans-61-50.2176.1-53.40000111.1T115 K119 S120 E121T115-T117 VanDerWaalsContact C-N 3.26Å; T115-T117 PolarHBondContact O-N 2.78Å; T117-K119 VanDerWaalsContact C-N 3.34Å; T117-K119 PolarHBondContact O-N 3.4Å; T117-S120 PolarHBondContact O-N 3.1Å; T117-S120 VanDerWaalsContact O-N 3.15Å; T117-E121 HydrophobicContact CG2-CG 4.47Å; T117-E121 WeakPolarHBondContact O-CG 3.4Å; T117-E121 PolarHBondContact O-N 2.99Å
118E98Very high97.6Very high69 Ų6945 Ų4532%0.32226%0.26SS..Hα-helixtrans-58.7-44.8176.8-76.9177.1147.300111.5A113 A114 T115 S120 E121 W122A113-E118 HydrophobicContact CB-CB 3.73Å; A114-E118 VanDerWaalsContact CB-OE2 3.31Å; A114-E118 WeakPolarHBondContact CB-OE2 3.43Å; A114-E118 PolarHBondContact N-OE2 3.28Å; T115-E118 PolarHBondContact N-OE2 3.01Å; T115-E118 PolarHBondContact O-N 2.98Å; T115-E118 WeakPolarHBondContact OG1-CB 3.42Å; T115-E118 WeakPolarHBondContact OG1-CG 3.39Å; T115-E118 PolarHBondContact OG1-N 3.39Å; T115-E118 VanDerWaalsContact OG1-N 3.09Å; E118-S120 PolarHBondContact O-N 2.91Å; E118-E121 PolarHBondContact O-N 2.67Å; E118-W122 WeakPolarHBondContact O-CB 3.48Å; E118-W122 PolarHBondContact O-N 2.9Å
119K98.3Very high97.7Very high25 Ų2544.9 Ų44.911%0.10926%0.259CS..Hα-helixtrans-54-52.7173.9169.6-172.4-171.8166.40110.9N98 G99 W100 A113 T115 A116 T117 E121 W122 M123N98-K119 HydrophobicContact CB-CB 4.12Å; N98-K119 HydrophobicContact CB-CD 4.16Å; G99-K119 WeakPolarHBondContact O-CE 3.27Å; G99-K119 PolarHBondContact O-NZ 2.99Å; W100-K119 HydrophobicContact CE3-CB 4.26Å; W100-K119 HydrophobicContact CE3-CG 3.8Å; W100-K119 HydrophobicContact CZ3-CB 4.02Å; W100-K119 HydrophobicContact CZ3-CG 4.08Å; A113-K119 HydrophobicContact CB-CB 4.18Å; T115-K119 PolarHBondContact O-N 3.14Å; T115-K119 VanDerWaalsContact O-N 3.09Å; A116-K119 WeakPolarHBondContact O-CB 3.45Å; A116-K119 PolarHBondContact O-N 3.41Å; T117-K119 VanDerWaalsContact C-N 3.34Å; T117-K119 PolarHBondContact O-N 3.4Å; K119-E121 VanDerWaalsContact C-N 3.34Å; K119-E121 PolarHBondContact O-N 3.2Å; K119-W122 PolarHBondContact O-N 3Å; K119-M123 HydrophobicContact CD-SD 4.45Å; K119-M123 HydrophobicContact CG-CG 4.4Å; K119-M123 HydrophobicContact CG-SD 3.86Å; K119-M123 WeakPolarHBondContact O-CB 3.34Å; K119-M123 VanDerWaalsContact O-CG 3.31Å; K119-M123 WeakPolarHBondContact O-CG 3.1Å; K119-M123 PolarHBondContact O-N 2.8Å
120S98.3Very high97.7Very high77 Ų7745.5 Ų45.554%0.53826%0.263SS..Hα-helixtrans-61.4-41.6-177.4-69.60000112.1A116 T117 E118 N124A116-S120 WeakPolarHBondContact O-CB 3.2Å; A116-S120 PolarHBondContact O-N 3.42Å; A116-S120 PolarHBondContact O-OG 3.43Å; T117-S120 PolarHBondContact O-N 3.1Å; T117-S120 VanDerWaalsContact O-N 3.15Å; E118-S120 PolarHBondContact O-N 2.91Å; S120-N124 WeakPolarHBondContact O-CB 3.23Å; S120-N124 PolarHBondContact O-N 3.19Å
121E98.3Very high97.6Very high105 Ų10552.5 Ų52.549%0.49129%0.289SS..Hα-helixtrans-65.5-47.4177-72.3-179.8164.600112T117 E118 K119 N124 H125T117-E121 HydrophobicContact CG2-CG 4.47Å; T117-E121 WeakPolarHBondContact O-CG 3.4Å; T117-E121 PolarHBondContact O-N 2.99Å; E118-E121 PolarHBondContact O-N 2.67Å; K119-E121 VanDerWaalsContact C-N 3.34Å; K119-E121 PolarHBondContact O-N 3.2Å; E121-N124 PolarHBondContact O-N 3.39Å; E121-H125 WeakPolarHBondContact O-CB 3.39Å; E121-H125 VanDerWaalsContact O-CG 3.25Å; E121-H125 PolarHBondContact O-N 3.14Å; E121-H125 PolarHBondContact O-ND1 3.45Å
122W98.5Very high97.4Very high22 Ų2255.3 Ų55.38%0.08330%0.302CS..Hα-helixtrans-58.9-50.4176.5-88101.4000111.8L42 F55 L57 L62 W100 E118 K119 N124 H125 I126L42-W122 HydrophobicContact CD1-CD2 4.24Å; F55-W122 HydrophobicContact CB-CH2 3.66Å; F55-W122 HydrophobicContact CB-CZ2 4.16Å; F55-W122 HydrophobicContact CB-CZ3 4.22Å; L57-W122 HydrophobicContact CB-CE3 4.42Å; L57-W122 HydrophobicContact CB-CH2 4.25Å; L57-W122 HydrophobicContact CB-CZ3 3.67Å; L62-W122 HydrophobicContact CD1-CZ3 4.01Å; W100-W122 HydrophobicContact CH2-CB 3.82Å; W100-W122 HydrophobicContact CH2-CG 4.1Å; W100-W122 HydrophobicContact CZ2-CB 3.67Å; W100-W122 HydrophobicContact CZ2-CG 4.13Å; E118-W122 WeakPolarHBondContact O-CB 3.48Å; E118-W122 PolarHBondContact O-N 2.9Å; K119-W122 PolarHBondContact O-N 3Å; W122-N124 PolarHBondContact O-N 3.35Å; W122-H125 PolarHBondContact O-N 3.12Å; W122-I126 HydrophobicContact CE3-CD1 4.15Å; W122-I126 HydrophobicContact CE3-CG1 4.47Å; W122-I126 WeakPolarHBondContact O-CB 3.34Å; W122-I126 VanDerWaalsContact O-CG1 3.23Å; W122-I126 WeakPolarHBondContact O-CG1 3.43Å; W122-I126 PolarHBondContact O-N 2.84Å
123M98.6Very high97.2Very high33 Ų3356.1 Ų56.116%0.16331%0.308CS..Hα-helixtrans-63-41.3-180-69.3-174.776.500111.9I87 W100 K119 G127I87-M123 HydrophobicContact CD1-CB 3.94Å; I87-M123 HydrophobicContact CD1-CE 4.22Å; I87-M123 HydrophobicContact CD1-CG 4.28Å; I87-M123 VanDerWaalsContact CD1-O 3.28Å; I87-M123 WeakPolarHBondContact CD1-O 3.28Å; I87-M123 HydrophobicContact CG1-CE 4.46Å; W100-M123 HydrophobicContact CB-CE 3.87Å; W100-M123 HydrophobicContact CB-CG 4.2Å; W100-M123 HydrophobicContact CB-SD 3.65Å; W100-M123 HydrophobicContact CD2-CG 3.94Å; W100-M123 HydrophobicContact CD2-SD 4.34Å; W100-M123 HydrophobicContact CG-CE 4.37Å; W100-M123 HydrophobicContact CG-CG 3.8Å; W100-M123 HydrophobicContact CG-SD 3.93Å; K119-M123 HydrophobicContact CD-SD 4.45Å; K119-M123 HydrophobicContact CG-CG 4.4Å; K119-M123 HydrophobicContact CG-SD 3.86Å; K119-M123 WeakPolarHBondContact O-CB 3.34Å; K119-M123 VanDerWaalsContact O-CG 3.31Å; K119-M123 WeakPolarHBondContact O-CG 3.1Å; K119-M123 PolarHBondContact O-N 2.8Å; M123-G127 PolarHBondContact O-N 2.86Å
124N98.3Very high97Very high97 Ų9756.8 Ų56.852%0.51931%0.31SS..Hα-helixtrans-64.3-48.8177.4-172.4-16.5000111.3S120 E121 W122 G127 K128S120-N124 WeakPolarHBondContact O-CB 3.23Å; S120-N124 PolarHBondContact O-N 3.19Å; E121-N124 PolarHBondContact O-N 3.39Å; W122-N124 PolarHBondContact O-N 3.35Å; N124-G127 PolarHBondContact O-N 3.39Å; N124-K128 VanDerWaalsContact O-CB 3.28Å; N124-K128 WeakPolarHBondContact O-CB 3.41Å; N124-K128 PolarHBondContact O-N 3.32Å
125H98.3Very high96.8Very high75 Ų7560.8 Ų60.835%0.34731%0.314SS..Hα-helixtrans-63.5-45.3179.5-67.4154.6000112.4I37 L57 E121 W122 K128 C129I37-H125 HydrophobicContact CG2-CB 4.15Å; L57-H125 HydrophobicContact CD2-CB 3.43Å; L57-H125 VanDerWaalsContact CD2-CB 3.43Å; E121-H125 WeakPolarHBondContact O-CB 3.39Å; E121-H125 VanDerWaalsContact O-CG 3.25Å; E121-H125 PolarHBondContact O-N 3.14Å; E121-H125 PolarHBondContact O-ND1 3.45Å; W122-H125 PolarHBondContact O-N 3.12Å; H125-K128 PolarHBondContact O-N 3Å; H125-C129 PolarHBondContact O-N 2.68Å; H125-C129 PolarHBondContact O-SG 2.93Å
126I98.2Very high96.5Very high2 Ų264.4 Ų64.41%0.0133%0.325CS..Hα-helixtrans-58.3-52.3175-68165.7000109.6L57 L82 V85 I87 W122 K128 C129 V130L57-I126 HydrophobicContact CD1-CG1 3.91Å; L57-I126 HydrophobicContact CD2-CG1 4.01Å; L82-I126 HydrophobicContact CD2-CG2 4.46Å; V85-I126 HydrophobicContact CG1-CG2 4.3Å; I87-I126 HydrophobicContact CD1-CB 4.35Å; I87-I126 HydrophobicContact CD1-CG2 4.27Å; I87-I126 HydrophobicContact CG2-CG2 3.9Å; W122-I126 HydrophobicContact CE3-CD1 4.15Å; W122-I126 HydrophobicContact CE3-CG1 4.47Å; W122-I126 WeakPolarHBondContact O-CB 3.34Å; W122-I126 VanDerWaalsContact O-CG1 3.23Å; W122-I126 WeakPolarHBondContact O-CG1 3.43Å; W122-I126 PolarHBondContact O-N 2.84Å; I126-K128 VanDerWaalsContact C-N 3.28Å; I126-K128 PolarHBondContact O-N 2.98Å; I126-C129 PolarHBondContact O-N 2.96Å; I126-V130 HydrophobicContact CG2-CG2 4.24Å; I126-V130 VanDerWaalsContact O-CG2 3.3Å; I126-V130 WeakPolarHBondContact O-CG2 3.33Å; I126-V130 PolarHBondContact O-N 3Å
127G97.1Very high96.2Very high14 Ų1464.3 Ų64.314%0.14432%0.321CS..Hα-helixtrans-60.2-37.5-17900000112.9M123 N124 R131M123-G127 PolarHBondContact O-N 2.86Å; N124-G127 PolarHBondContact O-N 3.39Å; G127-R131 WeakPolarHBondContact O-CB 3.48Å; G127-R131 VanDerWaalsContact O-CG 3.31Å; G127-R131 WeakPolarHBondContact O-CG 3.44Å; G127-R131 PolarHBondContact O-N 3.22Å; G127-R131 PolarHBondContact O-NH1 2.92Å
128K96.9Very high95.7Very high82 Ų8263.3 Ų63.336%0.35733%0.328SS..Hα-helixtrans-65-49.4175.1-177.8178.2176.6178.20111.7N124 H125 I126 V130 R131 E132N124-K128 VanDerWaalsContact O-CB 3.28Å; N124-K128 WeakPolarHBondContact O-CB 3.41Å; N124-K128 PolarHBondContact O-N 3.32Å; H125-K128 PolarHBondContact O-N 3Å; I126-K128 VanDerWaalsContact C-N 3.28Å; I126-K128 PolarHBondContact O-N 2.98Å; K128-V130 PolarHBondContact O-N 3.08Å; K128-R131 PolarHBondContact O-N 2.85Å; K128-E132 WeakPolarHBondContact CE-OE1 3.35Å; K128-E132 HydrophobicContact CG-CG 4.5Å; K128-E132 WeakPolarHBondContact CG-OE1 3.46Å; K128-E132 WeakPolarHBondContact O-CG 3.43Å; K128-E132 PolarHBondContact O-N 2.6Å
129C97.3Very high95Very high5 Ų565.6 Ų65.63%0.03434%0.337CS..Hα-helixtrans-59.9-46.1178.4-67.50000111.5L82 H125 I126 R131 E132 L133L82-C129 HydrophobicContact CD1-CB 3.58Å; H125-C129 PolarHBondContact O-N 2.68Å; H125-C129 PolarHBondContact O-SG 2.93Å; I126-C129 PolarHBondContact O-N 2.96Å; C129-R131 PolarHBondContact O-N 3.38Å; C129-E132 PolarHBondContact O-N 3.26Å; C129-L133 WeakPolarHBondContact O-CB 3.45Å; C129-L133 VanDerWaalsContact O-CG 3.23Å; C129-L133 WeakPolarHBondContact O-CG 3.36Å; C129-L133 PolarHBondContact O-N 3.32Å
130V95.8Very high94.2Very high19 Ų1969.3 Ų69.312%0.11537%0.366CS..Hα-helixtrans-58.3-48.2176.6175.20000111.3L82 V85 I126 K128 E132 L133 L134L82-V130 HydrophobicContact CB-CG2 4.11Å; L82-V130 HydrophobicContact CD2-CG2 4.46Å; L82-V130 WeakPolarHBondContact O-CG2 3.5Å; V85-V130 HydrophobicContact CB-CG2 4.37Å; I126-V130 HydrophobicContact CG2-CG2 4.24Å; I126-V130 VanDerWaalsContact O-CG2 3.3Å; I126-V130 WeakPolarHBondContact O-CG2 3.33Å; I126-V130 PolarHBondContact O-N 3Å; K128-V130 PolarHBondContact O-N 3.08Å; V130-E132 PolarHBondContact O-N 2.9Å; V130-L133 PolarHBondContact O-N 2.89Å; V130-L134 HydrophobicContact CG1-CD1 3.89Å; V130-L134 HydrophobicContact CG1-CG 4.38Å; V130-L134 WeakPolarHBondContact O-CG 3.27Å; V130-L134 PolarHBondContact O-N 3.33Å
131R94.9Very high93.2Very high151 Ų15169.9 Ų69.957%0.5737%0.368SS*.Hα-helixtrans-59.9-46.6178.3-75.7-171.6-55.5-89.62.2112.4G127 K128 C129 L133 L134 Q135G127-R131 WeakPolarHBondContact O-CB 3.48Å; G127-R131 VanDerWaalsContact O-CG 3.31Å; G127-R131 WeakPolarHBondContact O-CG 3.44Å; G127-R131 PolarHBondContact O-N 3.22Å; G127-R131 PolarHBondContact O-NH1 2.92Å; K128-R131 PolarHBondContact O-N 2.85Å; C129-R131 PolarHBondContact O-N 3.38Å; R131-L133 VanDerWaalsContact C-N 3.34Å; R131-L133 PolarHBondContact O-N 2.95Å; R131-L134 PolarHBondContact O-N 3.46Å; R131-Q135 WeakPolarHBondContact O-CB 3.28Å; R131-Q135 PolarHBondContact O-N 3.44Å
132E94.8Very high92.2Very high60 Ų6067.1 Ų67.128%0.2836%0.359SS..Hα-helixtrans-64.3-38.6179.9-72.7178.1-173.500111.8K128 C129 V130 K136K128-E132 WeakPolarHBondContact CE-OE1 3.35Å; K128-E132 HydrophobicContact CG-CG 4.5Å; K128-E132 WeakPolarHBondContact CG-OE1 3.46Å; K128-E132 WeakPolarHBondContact O-CG 3.43Å; K128-E132 PolarHBondContact O-N 2.6Å; C129-E132 PolarHBondContact O-N 3.26Å; V130-E132 PolarHBondContact O-N 2.9Å; E132-K136 WeakPolarHBondContact O-CB 3.37Å; E132-K136 VanDerWaalsContact O-CG 3.29Å; E132-K136 WeakPolarHBondContact O-CG 3.39Å; E132-K136 PolarHBondContact O-N 3.41Å
133L94.3Very high90.9Very high40 Ų4070 Ų7021%0.20939%0.394CS..Hα-helixtrans-64.3-49.5175.7-72.7167.5000112.2N59 D60 L82 C129 V130 R131 Q135 K136 S137N59-L133 VanDerWaalsContact O-CD1 3.31Å; N59-L133 WeakPolarHBondContact O-CD1 3.25Å; N59-L133 WeakPolarHBondContact O-CG 3.44Å; D60-L133 HydrophobicContact CB-CD2 4.03Å; L82-L133 HydrophobicContact CB-CD1 3.48Å; L82-L133 VanDerWaalsContact CB-CD1 3.48Å; L82-L133 HydrophobicContact CD1-CD1 4.25Å; L82-L133 HydrophobicContact CG-CD1 4.48Å; C129-L133 WeakPolarHBondContact O-CB 3.45Å; C129-L133 VanDerWaalsContact O-CG 3.23Å; C129-L133 WeakPolarHBondContact O-CG 3.36Å; C129-L133 PolarHBondContact O-N 3.32Å; V130-L133 PolarHBondContact O-N 2.89Å; R131-L133 VanDerWaalsContact C-N 3.34Å; R131-L133 PolarHBondContact O-N 2.95Å; L133-Q135 VanDerWaalsContact C-N 3.3Å; L133-Q135 PolarHBondContact O-N 2.86Å; L133-K136 PolarHBondContact O-N 3.08Å; L133-K136 VanDerWaalsContact O-N 3.13Å; L133-S137 WeakPolarHBondContact O-CB 3.49Å; L133-S137 PolarHBondContact O-N 2.98Å; L133-S137 PolarHBondContact O-OG 2.81Å
134L92.5Very high90.2Very high21 Ų2173.6 Ų73.611%0.1141%0.411CS..Hα-helixtrans-63.8-38.2-179.3-67.5175.3000111.5E83 V130 R131 K136 S137 G138 K139 P141E83-L134 HydrophobicContact CG-CD2 3.95Å; V130-L134 HydrophobicContact CG1-CD1 3.89Å; V130-L134 HydrophobicContact CG1-CG 4.38Å; V130-L134 WeakPolarHBondContact O-CG 3.27Å; V130-L134 PolarHBondContact O-N 3.33Å; R131-L134 PolarHBondContact O-N 3.46Å; L134-K136 VanDerWaalsContact C-N 3.33Å; L134-K136 PolarHBondContact O-N 3.42Å; L134-S137 PolarHBondContact O-N 3.23Å; L134-G138 PolarHBondContact O-N 2.76Å; L134-K139 HydrophobicContact CD2-CB 4.3Å; L134-P141 HydrophobicContact CD1-CB 4.21Å; L134-P141 HydrophobicContact CD1-CG 3.78Å
135Q92.8Very high90Very high168 Ų16871 Ų7179%0.78540%0.396SS*.Hα-helixtrans-63.1-39.8174-172.6177.810.100111.9R131 L133R131-Q135 WeakPolarHBondContact O-CB 3.28Å; R131-Q135 PolarHBondContact O-N 3.44Å; L133-Q135 VanDerWaalsContact C-N 3.3Å; L133-Q135 PolarHBondContact O-N 2.86Å
136K90.9Very high89.8Confident141 Ų14167.8 Ų67.861%0.61338%0.382SS*.Hα-helixtrans-73.4-35.2178-74.7177178.7-1750113D3 E132 L133 L134D3-K136 IonicContact OD1-NZ 2.87Å; E132-K136 WeakPolarHBondContact O-CB 3.37Å; E132-K136 VanDerWaalsContact O-CG 3.29Å; E132-K136 WeakPolarHBondContact O-CG 3.39Å; E132-K136 PolarHBondContact O-N 3.41Å; L133-K136 PolarHBondContact O-N 3.08Å; L133-K136 VanDerWaalsContact O-N 3.13Å; L134-K136 VanDerWaalsContact C-N 3.33Å; L134-K136 PolarHBondContact O-N 3.42Å
137S89.7Confident89.6Confident53 Ų5368.7 Ų68.737%0.37139%0.39SS..Hα-helixtrans-87.6-15.6-177.671.90000113.8E83 L133 L134 K139E83-S137 PolarHBondContact OE1-OG 2.79Å; L133-S137 WeakPolarHBondContact O-CB 3.49Å; L133-S137 PolarHBondContact O-N 2.98Å; L133-S137 PolarHBondContact O-OG 2.81Å; L134-S137 PolarHBondContact O-N 3.23Å; S137-K139 PolarHBondContact O-N 2.88Å; S137-K139 WeakPolarHBondContact OG-CB 3.02Å; S137-K139 WeakPolarHBondContact OG-CG 3.42Å; S137-K139 PolarHBondContact OG-N 3.26Å
138G87.7Confident89.4Confident70 Ų7070.6 Ų70.672%0.72240%0.399SS*.THydrogen-bonded Turntrans68.49.9-173.600000113.5L134L134-G138 PolarHBondContact O-N 2.76Å
139K84.5Confident89.3Confident118 Ų11869.4 Ų69.451%0.51339%0.392SS..PPolyproline II helixtrans-85.1152.7179.5-60.2-162.7-147.3152.50111.3E83 L134 S137E83-K139 WeakPolarHBondContact OE1-CD 3.44Å; E83-K139 WeakPolarHBondContact OE1-CE 3.18Å; E83-K139 IonicContact OE1-NZ 3.64Å; E83-K139 PolarHBondContact OE1-NZ 3.28Å; E83-K139 IonicContact OE2-NZ 2.94Å; E83-K139 PolarHBondContact OE2-NZ 3.06Å; L134-K139 HydrophobicContact CD2-CB 4.3Å; S137-K139 PolarHBondContact O-N 2.88Å; S137-K139 WeakPolarHBondContact OG-CB 3.02Å; S137-K139 WeakPolarHBondContact OG-CG 3.42Å; S137-K139 PolarHBondContact OG-N 3.26Å
140S81Confident89.1Confident103 Ų10370.5 Ų70.572%0.7240%0.398SS*.PPolyproline II helixtrans-84.8152.2170.7-650000110.9T142S140-T142 PolarHBondContact O-N 3.32Å
141P76.9Confident88.9Confident89 Ų8970.1 Ų70.158%0.57840%0.396SS*.PPolyproline II helixtrans-54.2139.5171.5-19.728.2000111.4L134L134-P141 HydrophobicContact CD1-CB 4.21Å; L134-P141 HydrophobicContact CD1-CG 3.78Å
142T77.1Confident88.8Confident47 Ų4764.5 Ų64.529%0.28838%0.378SS..PPolyproline II helixtrans-67.4134.2171.8179.90000110.6G84 P105 S140 E144 H145G84-T142 VanDerWaalsContact O-CG2 3.26Å; G84-T142 WeakPolarHBondContact O-CG2 3.5Å; P105-T142 HydrophobicContact CG-CG2 4.39Å; S140-T142 PolarHBondContact O-N 3.32Å; T142-E144 PolarHBondContact OG1-N 3.33Å; T142-E144 PolarHBondContact OG1-O 2.71Å; T142-H145 VanDerWaalsContact CG2-CE1 3.43Å; T142-H145 WeakPolarHBondContact CG2-CE1 3.28Å; T142-H145 PolarHBondContact O-NE2 3.43Å
143G71.8Confident88.5Confident81 Ų8166.2 Ų66.284%0.83540%0.396SS*.  trans-94.5-14.3176.700000114.3
144E84.6Confident88.3Confident110 Ų11070.3 Ų70.351%0.51441%0.414SS..  trans-108.1123.5180-168169-163.500111.2T142 K177T142-E144 PolarHBondContact OG1-N 3.33Å; T142-E144 PolarHBondContact OG1-O 2.71Å; E144-K177 IonicContact OE1-NZ 3.91Å; E144-K177 PolarHBondContact OE1-NZ 3.35Å
145H92.8Very high88.3Confident43 Ų4369.5 Ų69.520%0.19941%0.41CS..  trans-127.7153177.9-58.5-69.8000110.4G84 T86 K103 T104 T142G84-H145 PolarHBondContact O-CE1 3.18Å; G84-H145 VanDerWaalsContact O-CE1 3.26Å; T86-H145 VanDerWaalsContact CG2-NE2 3.33Å; T86-H145 WeakPolarHBondContact CG2-NE2 3.48Å; T86-H145 PolarHBondContact OG1-CD2 3Å; T86-H145 PolarHBondContact OG1-CE1 3.24Å; T86-H145 VanDerWaalsContact OG1-CE1 3.32Å; T86-H145 PolarHBondContact OG1-NE2 3.19Å; K103-H145 HydrophobicContact CB-CB 4.07Å; T104-H145 CarbonylContact O-C 3.56Å; T104-H145 WeakPolarHBondContact O-CA 3.34Å; T104-H145 WeakPolarHBondContact O-CB 3.42Å; T142-H145 VanDerWaalsContact CG2-CE1 3.43Å; T142-H145 WeakPolarHBondContact CG2-CE1 3.28Å; T142-H145 PolarHBondContact O-NE2 3.43Å
146A93.9Very high88.4Confident6 Ų666 Ų665%0.0540%0.401CS..PPolyproline II helixtrans-60147.2167.600000110.1T104 T106 S108 Q196T104-A146 PolarHBondContact O-N 2.85Å; T106-A146 WeakPolarHBondContact O-CB 3.3Å; S108-A146 WeakPolarHBondContact CB-O 3.16Å; S108-A146 PolarHBondContact OG-O 2.89Å; A146-Q196 HydrophobicContact CB-CG 4.12Å
147A94.3Very high88.8Confident22 Ų2261.2 Ų61.218%0.18238%0.383CS..PPolyproline II helixtrans-66.8145.8176.600000111.2
148V93.6Very high89.2Confident54 Ų5458.7 Ų58.733%0.32737%0.366SS..BIsolated β-bridgetrans-73.4128.8163.8-178.50000107.4L101L101-V148 HydrophobicContact CD1-CG2 4.31Å; L101-V148 HydrophobicContact CD2-CG1 4.39Å; L101-V148 HydrophobicContact CD2-CG2 4.03Å
149W94.6Very high89.6Confident56 Ų5657.6 Ų57.621%0.21234%0.342CS..PPolyproline II helixtrans-80.3137.4-178.3-7119.8000110.7R47 H174 R176R47-W149 HydrophobicContact CG-CE3 3.76Å; R47-W149 HydrophobicContact CG-CZ3 4.28Å; R47-W149 VanDerWaalsContact CZ-CH2 3.46Å; R47-W149 VanDerWaalsContact NE-CE3 3.3Å; W149-H174 HydrophobicContact CD2-CB 3.64Å; W149-H174 AromaticContact CD2-CD2 3.86Å; W149-H174 AromaticContact CD2-CG 3.75Å; W149-H174 HydrophobicContact CE3-CB 3.3Å; W149-H174 AromaticContact CE3-CD2 3.44Å; W149-H174 VanDerWaalsContact CE3-CD2 3.44Å; W149-H174 AromaticContact CE3-CE1 3.95Å; W149-H174 AromaticContact CE3-CG 3.09Å; W149-H174 AromaticContact CE3-ND1 3.46Å; W149-H174 AromaticContact CE3-NE2 3.94Å; W149-H174 HydrophobicContact CG-CB 4.37Å; W149-H174 HydrophobicContact CH2-CB 3.84Å; W149-H174 HydrophobicContact CZ2-CB 4.16Å; W149-H174 HydrophobicContact CZ3-CB 3.32Å; W149-H174 AromaticContact CZ3-CG 3.42Å; W149-H174 VanDerWaalsContact CZ3-CG 3.42Å; W149-H174 AromaticContact CZ3-ND1 3.51Å; W149-R176 HydrophobicContact CZ2-CG 4.12Å
150V92.8Very high90.2Very high28 Ų2855.3 Ų55.317%0.1733%0.331CS..PPolyproline II helixtrans-68.2128.2173.1178.30000108.7E154 M159 H174 G179 Y180 V181V150-E154 HydrophobicContact CG1-CB 4.06Å; V150-M159 HydrophobicContact CB-SD 4.19Å; V150-M159 HydrophobicContact CG1-CE 4.3Å; V150-M159 HydrophobicContact CG1-SD 4.07Å; V150-M159 HydrophobicContact CG2-CE 4.09Å; V150-M159 HydrophobicContact CG2-SD 4.07Å; V150-H174 PolarHBondContact O-NE2 3.3Å; V150-G179 PolarHBondContact N-O 2.81Å; V150-Y180 HydrophobicContact CG2-CD1 4.27Å; V150-V181 HydrophobicContact CB-CG2 4.02Å; V150-V181 HydrophobicContact CG1-CG2 4.2Å
151P91.7Very high91Very high12 Ų1252.3 Ų52.38%0.07831%0.309CS..PPolyproline II helixtrans-57.5146.3175.1-27.837.8000113L45 S153 E154L45-P151 HydrophobicContact CD2-CG 3.91Å; L45-P151 HydrophobicContact CG-CG 4.2Å; P151-S153 PolarHBondContact O-N 3.35Å; P151-E154 HydrophobicContact CB-CG 4.34Å; P151-E154 VanDerWaalsContact CG-OE1 3.3Å; P151-E154 WeakPolarHBondContact CG-OE1 3.47Å; P151-E154 PolarHBondContact O-N 3.42Å; P151-E154 VanDerWaalsContact O-N 3.13Å
152D91.8Very high92Very high33 Ų3354.2 Ų54.218%0.17631%0.308CS..G310 helixtrans-63-31.8-178.2-73.6-23.8000112.5R47 E154 A155 R172 H174R47-D152 PolarHBondContact O-N 3.06Å; D152-E154 VanDerWaalsContact C-N 3.26Å; D152-E154 PolarHBondContact O-N 3.46Å; D152-A155 PolarHBondContact O-N 2.75Å; D152-R172 PolarHBondContact O-NE 2.94Å; D152-R172 VanDerWaalsContact O-NE 3.17Å; D152-R172 PolarHBondContact O-NH2 3.28Å; D152-R172 WeakPolarHBondContact OD1-CD 3.43Å; D152-H174 IonicContact OD1-CE1 2.83Å; D152-H174 PolarHBondContact OD1-CE1 2.79Å; D152-H174 IonicContact OD1-NE2 3.12Å
153S88.7Confident92.9Very high95 Ų9560.9 Ų60.966%0.66433%0.333SS*.G310 helixtrans-65-28.9177.9500000112.9P151P151-S153 PolarHBondContact O-N 3.35Å
154E89.7Confident94.2Very high126 Ų12659 Ų5959%0.58931%0.305SS*.G310 helixtrans-84.2-16.1179.8-67172.6-146.700112.7V150 P151 D152V150-E154 HydrophobicContact CG1-CB 4.06Å; P151-E154 HydrophobicContact CB-CG 4.34Å; P151-E154 VanDerWaalsContact CG-OE1 3.3Å; P151-E154 WeakPolarHBondContact CG-OE1 3.47Å; P151-E154 PolarHBondContact O-N 3.42Å; P151-E154 VanDerWaalsContact O-N 3.13Å; D152-E154 VanDerWaalsContact C-N 3.26Å; D152-E154 PolarHBondContact O-N 3.46Å
155A93.5Very high94.8Very high4 Ų461.2 Ų61.23%0.03331%0.313CS..  trans-110.594.2-179.200000111.5D152 F166 R172 V181D152-A155 PolarHBondContact O-N 2.75Å; A155-F166 HydrophobicContact CB-CE2 4.34Å; A155-F166 WeakPolarHBondContact O-CD2 3.15Å; A155-R172 PolarHBondContact O-NE 3.03Å; A155-R172 PolarHBondContact O-NH2 2.83Å; A155-V181 HydrophobicContact CB-CB 3.47Å; A155-V181 VanDerWaalsContact CB-CB 3.47Å; A155-V181 HydrophobicContact CB-CG1 3.91Å; A155-V181 HydrophobicContact CB-CG2 3.43Å; A155-V181 VanDerWaalsContact CB-CG2 3.43Å
156T95.7Very high94.9Very high95 Ų9560 Ų6058%0.58331%0.307SS*.SBendtrans-85.4-19.5172.158.20000112.9F166T156-F166 PolarHBondContact O-N 3Å
157V97.6Very high94.9Very high41 Ų4162.8 Ų62.825%0.24832%0.324CS..BIsolated β-bridgetrans-133.1153.9178.2-66.90000111.4M159 V164 K165 F166V157-M159 PolarHBondContact O-N 3.46Å; V157-V164 CarbonylContact C-O 3.55Å; V157-V164 VanDerWaalsContact CA-O 3.3Å; V157-V164 WeakPolarHBondContact CA-O 3.38Å; V157-K165 HydrophobicContact CG1-CB 4.49Å; V157-K165 HydrophobicContact CG1-CG 3.76Å; V157-F166 VanDerWaalsContact O-CE2 3.29Å; V157-F166 WeakPolarHBondContact O-CE2 3.4Å
158C98Very high94.7Very high0 Ų067.8 Ų67.80%035%0.354CS..  trans-55.2123174.81750000111.1R160 K162 V164 F166 C183C158-R160 PolarHBondContact O-N 3.08Å; C158-R160 VanDerWaalsContact O-N 3.17Å; C158-R160 PolarHBondContact SG-N 3.29Å; C158-K162 WeakPolarHBondContact O-CA 3.26Å; C158-K162 WeakPolarHBondContact O-CD 3.26Å; C158-K162 PolarHBondContact O-N 3.44Å; C158-V164 HydrophobicContact CB-CB 4.19Å; C158-V164 PolarHBondContact N-O 3.02Å; C158-F166 HydrophobicContact CB-CZ 4.01Å; C158-C183 HydrophobicContact CB-CB 4.18Å; C158-C183 PolarHBondContact SG-N 3.36Å; C158-C183 VanDerWaalsContact SG-N 3.38Å; C158-C183 VanDerWaalsContact SG-SG 3.63Å
159M97.9Very high94.5Very high46 Ų4671.6 Ų71.623%0.22738%0.378CS..THydrogen-bonded Turntrans-74-5.3-176.3-60-179.686.400113.8V150 V157 K162 Y180 V181V150-M159 HydrophobicContact CB-SD 4.19Å; V150-M159 HydrophobicContact CG1-CE 4.3Å; V150-M159 HydrophobicContact CG1-SD 4.07Å; V150-M159 HydrophobicContact CG2-CE 4.09Å; V150-M159 HydrophobicContact CG2-SD 4.07Å; V157-M159 PolarHBondContact O-N 3.46Å; M159-K162 VanDerWaalsContact O-CE 3.3Å; M159-K162 WeakPolarHBondContact O-CE 3.47Å; M159-Y180 HydrophobicContact CB-CD2 4.08Å; M159-Y180 HydrophobicContact CB-CG 4.18Å; M159-Y180 HydrophobicContact CE-CD1 4.09Å; M159-Y180 HydrophobicContact CE-CE1 4.3Å; M159-Y180 HydrophobicContact CE-CG 4.38Å; M159-Y180 HydrophobicContact SD-CD1 4.16Å; M159-Y180 HydrophobicContact SD-CG 4.07Å; M159-V181 VanDerWaalsContact CB-O 3.31Å; M159-V181 WeakPolarHBondContact CB-O 3.33Å; M159-V181 HydrophobicContact CG-CB 4.48Å; M159-V181 WeakPolarHBondContact CG-O 3.4Å; M159-V181 PolarHBondContact N-O 3.32Å; M159-V181 HydrophobicContact SD-CB 4.24Å; M159-V181 HydrophobicContact SD-CG2 4.31Å; M159-V181 PolarHBondContact SD-N 3.03Å; M159-V181 VanDerWaalsContact SD-N 3.4Å
160R97.1Very high94.4Very high71 Ų7171 Ų7127%0.26838%0.382SS..THydrogen-bonded Turntrans-96.9-68173.4-68.5-68177.2-167.6-0.7112.1C158 C178 V182 C186 C204 H206C158-R160 PolarHBondContact O-N 3.08Å; C158-R160 VanDerWaalsContact O-N 3.17Å; C158-R160 PolarHBondContact SG-N 3.29Å; R160-C178 PolarHBondContact NH2-SG 3.27Å; R160-V182 HydrophobicContact CB-CG1 4.27Å; R160-V182 HydrophobicContact CG-CG1 3.47Å; R160-V182 VanDerWaalsContact CG-CG1 3.47Å; R160-C186 HydrophobicContact CB-CB 3.98Å; R160-C186 HydrophobicContact CG-CB 4.47Å; R160-C204 HydrophobicContact CG-CB 4.03Å; R160-C204 PolarHBondContact NE-SG 3.3Å; R160-C204 PolarHBondContact NH2-SG 3.45Å; R160-H206 PolarHBondContact NH1-CD2 3.34Å; R160-H206 VanDerWaalsContact NH1-CD2 3.25Å
161C97.3Very high94.4Very high39 Ų3975.7 Ų75.726%0.26440%0.397SS..THydrogen-bonded Turntrans-80.4-19.5-175.667.90000113.8K163C161-K163 HydrophobicContact CB-CB 4.42Å; C161-K163 WeakPolarHBondContact O-CG 3.43Å; C161-K163 PolarHBondContact O-N 3.48Å
162K97.4Very high94.6Very high129 Ų12979.2 Ų79.256%0.56141%0.409SS*.SBendtrans56.73.7-173.9-52.6-69.4175.7174.70115.2C158 M159C158-K162 WeakPolarHBondContact O-CA 3.26Å; C158-K162 WeakPolarHBondContact O-CD 3.26Å; C158-K162 PolarHBondContact O-N 3.44Å; M159-K162 VanDerWaalsContact O-CE 3.3Å; M159-K162 WeakPolarHBondContact O-CE 3.47Å
163K97.3Very high94.8Very high187 Ų18780.1 Ų80.181%0.81341%0.412SS*.  trans-92.2-37.2-177-69.6169-173.1-174.70113C161C161-K163 HydrophobicContact CB-CB 4.42Å; C161-K163 WeakPolarHBondContact O-CG 3.43Å; C161-K163 PolarHBondContact O-N 3.48Å
164V97.2Very high95.2Very high42 Ų4276 Ų7626%0.25538%0.382SS..  trans-87.4116-176.6179.80000109.7V157 C158 C183V157-V164 CarbonylContact C-O 3.55Å; V157-V164 VanDerWaalsContact CA-O 3.3Å; V157-V164 WeakPolarHBondContact CA-O 3.38Å; C158-V164 HydrophobicContact CB-CB 4.19Å; C158-V164 PolarHBondContact N-O 3.02Å; V164-C183 HydrophobicContact CB-CB 4.08Å; V164-C183 HydrophobicContact CG1-CB 3.98Å; V164-C183 HydrophobicContact CG2-CB 4.22Å
165K97.5Very high95.6Very high156 Ų15670 Ų7068%0.67835%0.354SS*.BIsolated β-bridgetrans-77.4133.5164.7-72.4179.5179-177.20109.2V157 S170V157-K165 HydrophobicContact CG1-CB 4.49Å; V157-K165 HydrophobicContact CG1-CG 3.76Å; K165-S170 WeakPolarHBondContact O-CB 3.46Å
166F96.6Very high95.8Very high17 Ų1773.1 Ų73.18%0.07537%0.365CS..  trans-78.8135.1179.4-65.8-61000111.1A155 T156 V157 C158 S170 R172 V181 C183A155-F166 HydrophobicContact CB-CE2 4.34Å; A155-F166 WeakPolarHBondContact O-CD2 3.15Å; T156-F166 PolarHBondContact O-N 3Å; V157-F166 VanDerWaalsContact O-CE2 3.29Å; V157-F166 WeakPolarHBondContact O-CE2 3.4Å; C158-F166 HydrophobicContact CB-CZ 4.01Å; F166-S170 WeakPolarHBondContact CA-O 3.37Å; F166-S170 WeakPolarHBondContact CD1-O 3.37Å; F166-R172 HydrophobicContact CB-CG 3.93Å; F166-R172 HydrophobicContact CD1-CB 4.46Å; F166-R172 HydrophobicContact CD1-CG 3.67Å; F166-R172 HydrophobicContact CD2-CG 3.74Å; F166-R172 HydrophobicContact CE1-CB 4.47Å; F166-R172 HydrophobicContact CE1-CG 4.01Å; F166-R172 HydrophobicContact CE2-CG 4.06Å; F166-R172 HydrophobicContact CG-CG 3.52Å; F166-R172 HydrophobicContact CZ-CG 4.19Å; F166-V181 HydrophobicContact CD2-CG1 4.4Å; F166-V181 HydrophobicContact CE2-CB 4.22Å; F166-V181 HydrophobicContact CE2-CG1 3.59Å; F166-V181 HydrophobicContact CZ-CB 4.45Å; F166-V181 HydrophobicContact CZ-CG1 3.69Å; F166-C183 HydrophobicContact CE1-CB 4.18Å
167T92.9Very high95.8Very high66 Ų6671.8 Ų71.841%0.40535%0.351SS..  trans-144.5174.2-179.867.60000108.2V169 S170T167-V169 PolarHBondContact O-N 2.96Å; T167-V169 VanDerWaalsContact O-N 3.14Å; T167-V169 PolarHBondContact OG1-N 3.31Å; T167-S170 PolarHBondContact N-O 3.19Å; T167-S170 VanDerWaalsContact N-O 3.1Å; T167-S170 CarbonylContact O-C 3.13Å; T167-S170 PolarHBondContact O-N 3.13Å; T167-S170 PolarHBondContact OG1-N 2.76Å
168P89Confident95.7Very high126 Ų12671.4 Ų71.482%0.81835%0.35SS*.SBendtrans-54.7-30.2173.4-28.737.4000113.9
169V90.3Very high95.6Very high134 Ų13471.4 Ų71.481%0.81235%0.35SS*.SBendtrans-83.9-44.6175.8-176.50000111.3T167 R171T167-V169 PolarHBondContact O-N 2.96Å; T167-V169 VanDerWaalsContact O-N 3.14Å; T167-V169 PolarHBondContact OG1-N 3.31Å; V169-R171 PolarHBondContact O-N 2.85Å; V169-R171 VanDerWaalsContact O-N 3.12Å
170S92.3Very high95.6Very high45 Ų4573.8 Ų73.832%0.31536%0.357SS..SBendtrans-85.379.1173.9-68.60000110K165 F166 T167K165-S170 WeakPolarHBondContact O-CB 3.46Å; F166-S170 WeakPolarHBondContact CA-O 3.37Å; F166-S170 WeakPolarHBondContact CD1-O 3.37Å; T167-S170 PolarHBondContact N-O 3.19Å; T167-S170 VanDerWaalsContact N-O 3.1Å; T167-S170 CarbonylContact O-C 3.13Å; T167-S170 PolarHBondContact O-N 3.13Å; T167-S170 PolarHBondContact OG1-N 2.76Å
171R93.8Very high95.6Very high126 Ų12670.4 Ų70.448%0.47534%0.344SS..  trans-64.3149.4-176-65.5-174.5170.4-178-6.8112.4V169 D245V169-R171 PolarHBondContact O-N 2.85Å; V169-R171 VanDerWaalsContact O-N 3.12Å; R171-D245 IonicContact CZ-OD1 2.98Å; R171-D245 IonicContact NH1-OD1 3.63Å; R171-D245 PolarHBondContact NH1-OD1 3.13Å; R171-D245 IonicContact NH2-OD1 3.16Å; R171-D245 PolarHBondContact NH2-OD1 2.94Å; R171-D245 PolarHBondContact NH2-OXT 3.26Å
172R95.7Very high95.7Very high86 Ų8668.6 Ų68.633%0.32533%0.332SS..  trans-82.7145175-72179.9-18083-1.6110.8D152 A155 F166 V181D152-R172 PolarHBondContact O-NE 2.94Å; D152-R172 VanDerWaalsContact O-NE 3.17Å; D152-R172 PolarHBondContact O-NH2 3.28Å; D152-R172 WeakPolarHBondContact OD1-CD 3.43Å; A155-R172 PolarHBondContact O-NE 3.03Å; A155-R172 PolarHBondContact O-NH2 2.83Å; F166-R172 HydrophobicContact CB-CG 3.93Å; F166-R172 HydrophobicContact CD1-CB 4.46Å; F166-R172 HydrophobicContact CD1-CG 3.67Å; F166-R172 HydrophobicContact CD2-CG 3.74Å; F166-R172 HydrophobicContact CE1-CB 4.47Å; F166-R172 HydrophobicContact CE1-CG 4.01Å; F166-R172 HydrophobicContact CE2-CG 4.06Å; F166-R172 HydrophobicContact CG-CG 3.52Å; F166-R172 HydrophobicContact CZ-CG 4.19Å; R172-V181 HydrophobicContact CB-CG1 3.66Å; R172-V181 HydrophobicContact CG-CG1 3.64Å
173H96.6Very high95.7Very high51 Ų5162.7 Ų62.724%0.23631%0.306CS..EExtended strand (participates in β ladder)trans-137.2151.9168.8-50.3-66000110.4V181 V182 G184H173-V181 CarbonylContact O-C 3.53Å; H173-V181 VanDerWaalsContact O-CA 3.3Å; H173-V181 WeakPolarHBondContact O-CA 3.36Å; H173-V182 HydrophobicContact CB-CG2 4.3Å; H173-V182 WeakPolarHBondContact CB-O 3.03Å; H173-V182 PolarHBondContact N-O 3.35Å; H173-V182 WeakPolarHBondContact O-CG2 3.33Å; H173-V182 PolarHBondContact O-N 2.94Å; H173-G184 PolarHBondContact CD2-N 3.05Å; H173-G184 VanDerWaalsContact CD2-N 3.34Å
174H96.7Very high95.7Very high8 Ų854.8 Ų54.84%0.03728%0.279CS..EExtended strand (participates in β ladder)trans-106.7137.3173.8-62.176.7000111.9W149 V150 D152 R176 G179 Y180W149-H174 HydrophobicContact CD2-CB 3.64Å; W149-H174 AromaticContact CD2-CD2 3.86Å; W149-H174 AromaticContact CD2-CG 3.75Å; W149-H174 HydrophobicContact CE3-CB 3.3Å; W149-H174 AromaticContact CE3-CD2 3.44Å; W149-H174 VanDerWaalsContact CE3-CD2 3.44Å; W149-H174 AromaticContact CE3-CE1 3.95Å; W149-H174 AromaticContact CE3-CG 3.09Å; W149-H174 AromaticContact CE3-ND1 3.46Å; W149-H174 AromaticContact CE3-NE2 3.94Å; W149-H174 HydrophobicContact CG-CB 4.37Å; W149-H174 HydrophobicContact CH2-CB 3.84Å; W149-H174 HydrophobicContact CZ2-CB 4.16Å; W149-H174 HydrophobicContact CZ3-CB 3.32Å; W149-H174 AromaticContact CZ3-CG 3.42Å; W149-H174 VanDerWaalsContact CZ3-CG 3.42Å; W149-H174 AromaticContact CZ3-ND1 3.51Å; V150-H174 PolarHBondContact O-NE2 3.3Å; D152-H174 IonicContact OD1-CE1 2.83Å; D152-H174 PolarHBondContact OD1-CE1 2.79Å; D152-H174 IonicContact OD1-NE2 3.12Å; H174-R176 PolarHBondContact O-NH1 3.21Å; H174-G179 PolarHBondContact CD2-O 2.95Å; H174-Y180 WeakPolarHBondContact CA-O 3.25Å
175C97.7Very high95.7Very high0 Ų056.8 Ų56.80%029%0.292CS..  trans-75.9122.2167173.80000109.8K177 C178 G179 Y180 C204C175-K177 VanDerWaalsContact C-N 3.28Å; C175-K177 PolarHBondContact O-N 3.06Å; C175-C178 VanDerWaalsContact CB-SG 3.5Å; C175-C178 PolarHBondContact O-N 2.94Å; C175-C178 PolarHBondContact SG-SG 3.09Å; C175-G179 WeakPolarHBondContact O-CA 3.45Å; C175-G179 PolarHBondContact O-N 3.34Å; C175-Y180 PolarHBondContact N-O 3.31Å; C175-C204 HydrophobicContact CB-CB 4.05Å; C175-C204 PolarHBondContact SG-N 3.31Å
176R96.5Very high95.7Very high71 Ų7150 Ų5027%0.26826%0.264SS..THydrogen-bonded Turntrans-66.6-26.2-177.7-80.372.6170.4158.7-7.1113.7W149 H174 L193 Q196 V201 R202W149-R176 HydrophobicContact CZ2-CG 4.12Å; H174-R176 PolarHBondContact O-NH1 3.21Å; R176-L193 HydrophobicContact CB-CD1 3.8Å; R176-Q196 PolarHBondContact O-NE2 3.09Å; R176-Q196 PolarHBondContact O-OE1 2.91Å; R176-V201 HydrophobicContact CB-CB 4.19Å; R176-V201 HydrophobicContact CB-CG2 3.64Å; R176-V201 HydrophobicContact CG-CB 3.82Å; R176-V201 HydrophobicContact CG-CG1 4.47Å; R176-V201 HydrophobicContact CG-CG2 3.84Å; R176-R202 WeakPolarHBondContact CD-O 3.49Å; R176-R202 PolarHBondContact N-O 3.32Å
177K95.9Very high95.8Very high67 Ų6749.1 Ų49.129%0.29126%0.26SS..THydrogen-bonded Turntrans-78.5-37.2178.2-177.460.8177.7178.90113.8E144 C175 L193 V203 C207 L211E144-K177 IonicContact OE1-NZ 3.91Å; E144-K177 PolarHBondContact OE1-NZ 3.35Å; C175-K177 VanDerWaalsContact C-N 3.28Å; C175-K177 PolarHBondContact O-N 3.06Å; K177-L193 HydrophobicContact CB-CD1 4.28Å; K177-L193 HydrophobicContact CD-CD2 4.44Å; K177-V203 HydrophobicContact CB-CG1 4.21Å; K177-C207 HydrophobicContact CB-CB 4.02Å; K177-C207 HydrophobicContact CG-CB 4.23Å; K177-L211 HydrophobicContact CB-CD1 4.31Å; K177-L211 HydrophobicContact CD-CD2 4.41Å; K177-L211 HydrophobicContact CG-CD1 4.17Å
178C96.3Very high96Very high33 Ų3352.6 Ų52.622%0.22327%0.272CS..THydrogen-bonded Turntrans-120.6-5.9-172.569.20000115.2R160 C175 Y180 C207R160-C178 PolarHBondContact NH2-SG 3.27Å; C175-C178 VanDerWaalsContact CB-SG 3.5Å; C175-C178 PolarHBondContact O-N 2.94Å; C175-C178 PolarHBondContact SG-SG 3.09Å; C178-Y180 PolarHBondContact O-N 3.07Å; C178-Y180 VanDerWaalsContact O-N 3.14Å; C178-C207 VanDerWaalsContact SG-SG 3.67Å
179G96.1Very high96.4Very high0 Ų051.5 Ų51.50%025%0.254CS..  trans74.6-5177.100000115.7V150 H174 C175V150-G179 PolarHBondContact N-O 2.81Å; H174-G179 PolarHBondContact CD2-O 2.95Å; C175-G179 WeakPolarHBondContact O-CA 3.45Å; C175-G179 PolarHBondContact O-N 3.34Å
180Y97.6Very high96.7Very high96 Ų9651.6 Ų51.638%0.37624%0.244SC..  trans-67.4146.7179.9-74.32.3000113.4V150 M159 H174 C175 C178V150-Y180 HydrophobicContact CG2-CD1 4.27Å; M159-Y180 HydrophobicContact CB-CD2 4.08Å; M159-Y180 HydrophobicContact CB-CG 4.18Å; M159-Y180 HydrophobicContact CE-CD1 4.09Å; M159-Y180 HydrophobicContact CE-CE1 4.3Å; M159-Y180 HydrophobicContact CE-CG 4.38Å; M159-Y180 HydrophobicContact SD-CD1 4.16Å; M159-Y180 HydrophobicContact SD-CG 4.07Å; H174-Y180 WeakPolarHBondContact CA-O 3.25Å; C175-Y180 PolarHBondContact N-O 3.31Å; C178-Y180 PolarHBondContact O-N 3.07Å; C178-Y180 VanDerWaalsContact O-N 3.14Å
181V97.6Very high96.9Very high0 Ų051.1 Ų51.10%024%0.236CC..EExtended strand (participates in β ladder)trans-83.8122.5171.9-164.60000110.2V150 A155 M159 F166 R172 H173V150-V181 HydrophobicContact CB-CG2 4.02Å; V150-V181 HydrophobicContact CG1-CG2 4.2Å; A155-V181 HydrophobicContact CB-CB 3.47Å; A155-V181 VanDerWaalsContact CB-CB 3.47Å; A155-V181 HydrophobicContact CB-CG1 3.91Å; A155-V181 HydrophobicContact CB-CG2 3.43Å; A155-V181 VanDerWaalsContact CB-CG2 3.43Å; M159-V181 VanDerWaalsContact CB-O 3.31Å; M159-V181 WeakPolarHBondContact CB-O 3.33Å; M159-V181 HydrophobicContact CG-CB 4.48Å; M159-V181 WeakPolarHBondContact CG-O 3.4Å; M159-V181 PolarHBondContact N-O 3.32Å; M159-V181 HydrophobicContact SD-CB 4.24Å; M159-V181 HydrophobicContact SD-CG2 4.31Å; M159-V181 PolarHBondContact SD-N 3.03Å; M159-V181 VanDerWaalsContact SD-N 3.4Å; F166-V181 HydrophobicContact CD2-CG1 4.4Å; F166-V181 HydrophobicContact CE2-CB 4.22Å; F166-V181 HydrophobicContact CE2-CG1 3.59Å; F166-V181 HydrophobicContact CZ-CB 4.45Å; F166-V181 HydrophobicContact CZ-CG1 3.69Å; R172-V181 HydrophobicContact CB-CG1 3.66Å; R172-V181 HydrophobicContact CG-CG1 3.64Å; H173-V181 CarbonylContact O-C 3.53Å; H173-V181 VanDerWaalsContact O-CA 3.3Å; H173-V181 WeakPolarHBondContact O-CA 3.36Å
182V98.2Very high97.1Very high0 Ų049 Ų490%023%0.234CC..EExtended strand (participates in β ladder)trans-135.4150.7-170.2-64.80000110.7R160 H173 C186 S187 C204R160-V182 HydrophobicContact CB-CG1 4.27Å; R160-V182 HydrophobicContact CG-CG1 3.47Å; R160-V182 VanDerWaalsContact CG-CG1 3.47Å; H173-V182 HydrophobicContact CB-CG2 4.3Å; H173-V182 WeakPolarHBondContact CB-O 3.03Å; H173-V182 PolarHBondContact N-O 3.35Å; H173-V182 WeakPolarHBondContact O-CG2 3.33Å; H173-V182 PolarHBondContact O-N 2.94Å; V182-C186 HydrophobicContact CB-CB 4.37Å; V182-S187 VanDerWaalsContact CG2-CB 3.5Å; V182-C204 HydrophobicContact CG1-CB 4.15Å
183C97.9Very high97Very high5 Ų545.5 Ų45.53%0.03422%0.222CC..  trans-76.8166.5172.263.80000111.3C158 V164 F166 C186 S187C158-C183 HydrophobicContact CB-CB 4.18Å; C158-C183 PolarHBondContact SG-N 3.36Å; C158-C183 VanDerWaalsContact SG-N 3.38Å; C158-C183 VanDerWaalsContact SG-SG 3.63Å; V164-C183 HydrophobicContact CB-CB 4.08Å; V164-C183 HydrophobicContact CG1-CB 3.98Å; V164-C183 HydrophobicContact CG2-CB 4.22Å; F166-C183 HydrophobicContact CE1-CB 4.18Å; C183-C186 PolarHBondContact O-N 3.11Å; C183-S187 PolarHBondContact O-N 3.43Å; C183-S187 PolarHBondContact O-OG 3.5Å
184G97.4Very high96.8Very high22 Ų2248.1 Ų48.123%0.22724%0.243CC..SBendtrans-50.7-54.8178.200000112.8H173 C186 S187 E188H173-G184 PolarHBondContact CD2-N 3.05Å; H173-G184 VanDerWaalsContact CD2-N 3.34Å; G184-C186 VanDerWaalsContact C-N 3.33Å; G184-C186 PolarHBondContact O-N 3.09Å; G184-S187 CarbonylContact O-C 3.48Å; G184-S187 PolarHBondContact O-N 2.84Å; G184-S187 PolarHBondContact O-OG 2.89Å; G184-E188 WeakPolarHBondContact O-CG 3.31Å; G184-E188 PolarHBondContact O-N 3.31Å
185P97.5Very high96.4Very high83 Ų8350.7 Ų50.754%0.53926%0.262SS..G310 helixtrans-56.4-40.5179.6-28.936000114.1S187P185-S187 PolarHBondContact O-N 2.94Å; P185-S187 VanDerWaalsContact O-N 3.09Å
186C98.2Very high96.2Very high13 Ų1353.2 Ų53.29%0.08827%0.274CS..G310 helixtrans-74.52.7179-700000114.4R160 V182 C183 G184 C204 E205R160-C186 HydrophobicContact CB-CB 3.98Å; R160-C186 HydrophobicContact CG-CB 4.47Å; V182-C186 HydrophobicContact CB-CB 4.37Å; C183-C186 PolarHBondContact O-N 3.11Å; G184-C186 VanDerWaalsContact C-N 3.33Å; G184-C186 PolarHBondContact O-N 3.09Å; C186-C204 WeakPolarHBondContact O-CA 2.91Å; C186-C204 WeakPolarHBondContact O-CB 3.49Å; C186-E205 PolarHBondContact O-N 3.1Å
187S97.6Very high96Very high0 Ų051.1 Ų51.10%027%0.27CS..G310 helixtrans-148.131.5-17266.70000114.5V182 C183 G184 P185 K189 R202 V203V182-S187 VanDerWaalsContact CG2-CB 3.5Å; C183-S187 PolarHBondContact O-N 3.43Å; C183-S187 PolarHBondContact O-OG 3.5Å; G184-S187 CarbonylContact O-C 3.48Å; G184-S187 PolarHBondContact O-N 2.84Å; G184-S187 PolarHBondContact O-OG 2.89Å; P185-S187 PolarHBondContact O-N 2.94Å; P185-S187 VanDerWaalsContact O-N 3.09Å; S187-K189 PolarHBondContact O-N 2.85Å; S187-R202 WeakPolarHBondContact O-CG 3.11Å; S187-R202 PolarHBondContact O-NH1 3.33Å; S187-R202 PolarHBondContact OG-NH1 2.64Å; S187-R202 VanDerWaalsContact OG-NH1 3.17Å; S187-V203 WeakPolarHBondContact CA-O 3.48Å
188E96.9Very high95.9Very high138 Ų13851.8 Ų51.865%0.64528%0.283SS*.  trans-66.5-24180-64.1-177.4149.300113.2G184G184-E188 WeakPolarHBondContact O-CG 3.31Å; G184-E188 PolarHBondContact O-N 3.31Å
189K97Very high95.9Very high104 Ų10455.8 Ų55.845%0.45230%0.297SS..  trans-82.2148.9-176.8-56.6-61-176.4-177.30112.3S187 V203 Y208S187-K189 PolarHBondContact O-N 2.85Å; K189-V203 PolarHBondContact O-N 3.47Å; K189-V203 VanDerWaalsContact O-O 3.13Å; K189-Y208 HydrophobicContact CB-CD1 4.3Å; K189-Y208 HydrophobicContact CB-CD2 3.46Å; K189-Y208 VanDerWaalsContact CB-CD2 3.46Å; K189-Y208 HydrophobicContact CB-CE2 3.92Å; K189-Y208 HydrophobicContact CB-CG 3.66Å; K189-Y208 HydrophobicContact CD-CE1 4.47Å; K189-Y208 HydrophobicContact CG-CD1 4.06Å; K189-Y208 HydrophobicContact CG-CD2 4.11Å; K189-Y208 HydrophobicContact CG-CE1 4.36Å; K189-Y208 HydrophobicContact CG-CE2 4.41Å; K189-Y208 HydrophobicContact CG-CG 3.91Å
190K97.6Very high95.9Very high136 Ų13659.4 Ų59.459%0.59132%0.32SS*.EExtended strand (participates in β ladder)trans-117.8148.5169.5-61.6-176.3-179.5-177.10109.7P200 V201 Y208K190-P200 HydrophobicContact CB-CB 3.79Å; K190-V201 CarbonylContact C-O 3.56Å; K190-V201 WeakPolarHBondContact CA-O 3.47Å; K190-Y208 WeakPolarHBondContact O-CE2 3.37Å
191F97.1Very high95.9Very high35 Ų3555.9 Ų55.915%0.15431%0.309CS..EExtended strand (participates in β ladder)trans-140.1144.8178.1-163.7-85.7000109.7L193 P200 V201 V203 Y208 L211 L215F191-L193 HydrophobicContact CD1-CD2 4.01Å; F191-L193 PolarHBondContact O-N 2.93Å; F191-P200 WeakPolarHBondContact O-CA 3.41Å; F191-V201 PolarHBondContact N-O 2.97Å; F191-V201 WeakPolarHBondContact O-CG2 3.29Å; F191-V201 PolarHBondContact O-N 3.19Å; F191-V203 HydrophobicContact CB-CG1 4.17Å; F191-V203 HydrophobicContact CB-CG2 3.75Å; F191-Y208 HydrophobicContact CB-CD2 4.29Å; F191-Y208 HydrophobicContact CD2-CD2 4.04Å; F191-Y208 HydrophobicContact CD2-CE2 4.02Å; F191-L211 HydrophobicContact CB-CD1 4.24Å; F191-L211 HydrophobicContact CD1-CB 4.07Å; F191-L211 HydrophobicContact CD1-CD1 3.74Å; F191-L211 HydrophobicContact CD1-CG 4.34Å; F191-L211 HydrophobicContact CD2-CB 3.86Å; F191-L211 HydrophobicContact CD2-CD1 4.43Å; F191-L211 HydrophobicContact CE1-CB 3.83Å; F191-L211 HydrophobicContact CE1-CD1 4.21Å; F191-L211 HydrophobicContact CE1-CD2 4.23Å; F191-L211 HydrophobicContact CE1-CG 4.32Å; F191-L211 HydrophobicContact CE2-CB 3.59Å; F191-L211 HydrophobicContact CG-CB 4.1Å; F191-L211 HydrophobicContact CG-CD1 3.88Å; F191-L211 HydrophobicContact CZ-CB 3.57Å; F191-L215 HydrophobicContact CE2-CD1 4Å; F191-L215 HydrophobicContact CZ-CD1 3.57Å; F191-L215 HydrophobicContact CZ-CG 4.43Å
192L96.3Very high95.9Very high80 Ų8059 Ų5942%0.41932%0.32SS..  trans-76.1117.4176.7-177.464000109.6P194 S197 S198L192-P194 HydrophobicContact CG-CG 4.31Å; L192-P194 WeakPolarHBondContact O-CD 3.33Å; L192-S197 WeakPolarHBondContact CD1-O 3.23Å; L192-S198 WeakPolarHBondContact CD1-O 3.41Å
193L94.6Very high95.9Very high14 Ų1459 Ų597%0.07332%0.32CS..  trans-111.191.4173.1-61.8-178.6000107.3R176 K177 F191 S195 Q196 S197 V201 V203 L211R176-L193 HydrophobicContact CB-CD1 3.8Å; K177-L193 HydrophobicContact CB-CD1 4.28Å; K177-L193 HydrophobicContact CD-CD2 4.44Å; F191-L193 HydrophobicContact CD1-CD2 4.01Å; F191-L193 PolarHBondContact O-N 2.93Å; L193-S195 PolarHBondContact O-N 2.96Å; L193-S195 VanDerWaalsContact O-N 3.13Å; L193-Q196 HydrophobicContact CB-CB 4.14Å; L193-Q196 HydrophobicContact CB-CG 4.34Å; L193-Q196 PolarHBondContact O-N 3.37Å; L193-S197 PolarHBondContact O-N 3.21Å; L193-V201 HydrophobicContact CB-CG2 4.11Å; L193-V201 HydrophobicContact CD1-CG2 3.67Å; L193-V201 HydrophobicContact CG-CG2 3.81Å; L193-V203 HydrophobicContact CD1-CG1 4.45Å; L193-L211 HydrophobicContact CD2-CD1 4.06Å
194P91.8Very high95.9Very high106 Ų10658.8 Ų58.869%0.68832%0.319SS*.THydrogen-bonded Turntrans-57.8-34-167.1-27.235.5000113.9L192 Q196L192-P194 HydrophobicContact CG-CG 4.31Å; L192-P194 WeakPolarHBondContact O-CD 3.33Å; P194-Q196 PolarHBondContact O-N 2.78Å
195S89.8Confident95.8Very high62 Ų6263 Ų6343%0.43433%0.332SS..THydrogen-bonded Turntrans-72-12177.5-48.50000113.9P105 T106 L193P105-S195 CarbonylContact C-O 3.51Å; T106-S195 VanDerWaalsContact CA-O 3.28Å; T106-S195 WeakPolarHBondContact CA-O 3.16Å; T106-S195 WeakPolarHBondContact CG2-O 3.37Å; L193-S195 PolarHBondContact O-N 2.96Å; L193-S195 VanDerWaalsContact O-N 3.13Å
196Q92Very high95.8Very high53 Ų5364 Ų6425%0.24833%0.33CS..THydrogen-bonded Turntrans-117-28.2-176.4-60.1-177.130.400113.2A146 R176 L193 P194A146-Q196 HydrophobicContact CB-CG 4.12Å; R176-Q196 PolarHBondContact O-NE2 3.09Å; R176-Q196 PolarHBondContact O-OE1 2.91Å; L193-Q196 HydrophobicContact CB-CB 4.14Å; L193-Q196 HydrophobicContact CB-CG 4.34Å; L193-Q196 PolarHBondContact O-N 3.37Å; P194-Q196 PolarHBondContact O-N 2.78Å
197S93.1Very high95.8Very high27 Ų2763.5 Ų63.519%0.18933%0.326CS..  trans-163.9144.1-175.2168.90000111.5L192 L193 K199 V201L192-S197 WeakPolarHBondContact CD1-O 3.23Å; L193-S197 PolarHBondContact O-N 3.21Å; S197-K199 VanDerWaalsContact C-N 3.26Å; S197-K199 WeakPolarHBondContact CB-O 3.31Å; S197-K199 PolarHBondContact OG-N 2.83Å; S197-K199 PolarHBondContact OG-O 2.66Å; S197-V201 VanDerWaalsContact CB-CG1 3.49Å
198S94.1Very high95.7Very high80 Ų8067.4 Ų67.456%0.55934%0.341SS*.SBendtrans-72.2-20.6169.759.80000112.8L192L192-S198 WeakPolarHBondContact CD1-O 3.41Å
199K95.3Very high95.7Very high118 Ų11862.7 Ų62.751%0.51333%0.33SS..SBendtrans-108.1154179.8-62.5170.1-170157.50111.5S197 V201S197-K199 VanDerWaalsContact C-N 3.26Å; S197-K199 WeakPolarHBondContact CB-O 3.31Å; S197-K199 PolarHBondContact OG-N 2.83Å; S197-K199 PolarHBondContact OG-O 2.66Å; K199-V201 PolarHBondContact O-N 3.33Å
200P96.7Very high95.6Very high75 Ų7562.7 Ų62.749%0.48733%0.333SS..  trans-58.2129173-25.535.2000112.9K190 F191K190-P200 HydrophobicContact CB-CB 3.79Å; F191-P200 WeakPolarHBondContact O-CA 3.41Å
201V96.8Very high95.5Very high23 Ų2357.3 Ų57.314%0.13931%0.31CS..EExtended strand (participates in β ladder)trans-109.9154.2-178.9-66.70000111.8R176 K190 F191 L193 S197 K199 V203R176-V201 HydrophobicContact CB-CB 4.19Å; R176-V201 HydrophobicContact CB-CG2 3.64Å; R176-V201 HydrophobicContact CG-CB 3.82Å; R176-V201 HydrophobicContact CG-CG1 4.47Å; R176-V201 HydrophobicContact CG-CG2 3.84Å; K190-V201 CarbonylContact C-O 3.56Å; K190-V201 WeakPolarHBondContact CA-O 3.47Å; F191-V201 PolarHBondContact N-O 2.97Å; F191-V201 WeakPolarHBondContact O-CG2 3.29Å; F191-V201 PolarHBondContact O-N 3.19Å; L193-V201 HydrophobicContact CB-CG2 4.11Å; L193-V201 HydrophobicContact CD1-CG2 3.67Å; L193-V201 HydrophobicContact CG-CG2 3.81Å; S197-V201 VanDerWaalsContact CB-CG1 3.49Å; K199-V201 PolarHBondContact O-N 3.33Å; V201-V203 PolarHBondContact O-N 3.47Å
202R97.8Very high95.2Very high66 Ų6657.9 Ų57.925%0.24932%0.319CS..EExtended strand (participates in β ladder)trans-60127.4-178.9-177.8-176.4-68.4-87.34.2112R176 S187R176-R202 WeakPolarHBondContact CD-O 3.49Å; R176-R202 PolarHBondContact N-O 3.32Å; S187-R202 WeakPolarHBondContact O-CG 3.11Å; S187-R202 PolarHBondContact O-NH1 3.33Å; S187-R202 PolarHBondContact OG-NH1 2.64Å; S187-R202 VanDerWaalsContact OG-NH1 3.17Å
203V98.2Very high94.5Very high0 Ų056.9 Ų56.90%033%0.328CS..  trans-128.9148.7172-67.30000109.5K177 S187 K189 F191 L193 V201 C207 Y208 L211K177-V203 HydrophobicContact CB-CG1 4.21Å; S187-V203 WeakPolarHBondContact CA-O 3.48Å; K189-V203 PolarHBondContact O-N 3.47Å; K189-V203 VanDerWaalsContact O-O 3.13Å; F191-V203 HydrophobicContact CB-CG1 4.17Å; F191-V203 HydrophobicContact CB-CG2 3.75Å; L193-V203 HydrophobicContact CD1-CG1 4.45Å; V201-V203 PolarHBondContact O-N 3.47Å; V203-C207 HydrophobicContact CB-CB 4.25Å; V203-Y208 HydrophobicContact CG2-CD2 3.94Å; V203-Y208 HydrophobicContact CG2-CG 4.42Å; V203-L211 HydrophobicContact CG1-CD1 4.43Å
204C98.3Very high93.3Very high0 Ų060.5 Ų60.50%035%0.354CS..  trans-69.1155.2170.962.20000110.6R160 C175 V182 C186 H206 C207 Y208R160-C204 HydrophobicContact CG-CB 4.03Å; R160-C204 PolarHBondContact NE-SG 3.3Å; R160-C204 PolarHBondContact NH2-SG 3.45Å; C175-C204 HydrophobicContact CB-CB 4.05Å; C175-C204 PolarHBondContact SG-N 3.31Å; V182-C204 HydrophobicContact CG1-CB 4.15Å; C186-C204 WeakPolarHBondContact O-CA 2.91Å; C186-C204 WeakPolarHBondContact O-CB 3.49Å; C204-H206 VanDerWaalsContact C-N 3.26Å; C204-H206 PolarHBondContact O-N 3.34Å; C204-H206 VanDerWaalsContact O-N 3.16Å; C204-C207 PolarHBondContact O-N 3.17Å; C204-C207 PolarHBondContact SG-SG 2.99Å; C204-Y208 PolarHBondContact O-N 2.83Å
205E96.4Very high91.9Very high110 Ų11061 Ų6151%0.51435%0.351SS..Hα-helixtrans-50.4-43.9-178.1-67.1174.7156.600113.4C186 C207 Y208 G209C186-E205 PolarHBondContact O-N 3.1Å; E205-C207 PolarHBondContact O-N 3.15Å; E205-Y208 WeakPolarHBondContact O-CB 3.07Å; E205-Y208 PolarHBondContact O-N 3.46Å; E205-G209 PolarHBondContact O-N 3.01Å
206H96.4Very high89.9Confident104 Ų10460.4 Ų60.448%0.48135%0.354SS..Hα-helixtrans-59.5-45.9177.7175.877.1000112.8R160 C204 Y208 G209 M210R160-H206 PolarHBondContact NH1-CD2 3.34Å; R160-H206 VanDerWaalsContact NH1-CD2 3.25Å; C204-H206 VanDerWaalsContact C-N 3.26Å; C204-H206 PolarHBondContact O-N 3.34Å; C204-H206 VanDerWaalsContact O-N 3.16Å; H206-Y208 VanDerWaalsContact C-N 3.34Å; H206-G209 PolarHBondContact O-N 2.93Å; H206-M210 WeakPolarHBondContact NE2-CE 3.35Å; H206-M210 WeakPolarHBondContact O-CG 3.38Å; H206-M210 PolarHBondContact O-N 3.5Å
207C97.3Very high87.6Confident2 Ų264.1 Ų64.11%0.01438%0.383CS..Hα-helixtrans-67.7-37.6176.4-70.80000111.6K177 C178 V203 C204 E205 M210 L211K177-C207 HydrophobicContact CB-CB 4.02Å; K177-C207 HydrophobicContact CG-CB 4.23Å; C178-C207 VanDerWaalsContact SG-SG 3.67Å; V203-C207 HydrophobicContact CB-CB 4.25Å; C204-C207 PolarHBondContact O-N 3.17Å; C204-C207 PolarHBondContact SG-SG 2.99Å; E205-C207 PolarHBondContact O-N 3.15Å; C207-M210 PolarHBondContact O-N 2.82Å; C207-L211 WeakPolarHBondContact O-CB 3.29Å; C207-L211 WeakPolarHBondContact O-CD1 3.5Å; C207-L211 WeakPolarHBondContact O-CG 3.45Å; C207-L211 PolarHBondContact O-N 3.24Å
208Y97.4Very high85.4Confident82 Ų8274.3 Ų74.332%0.32242%0.417SS..Hα-helixtrans-58.3-49.2174.9-172.9-94.9000110.8K189 K190 F191 V203 C204 E205 H206 M210 L211 S212K189-Y208 HydrophobicContact CB-CD1 4.3Å; K189-Y208 HydrophobicContact CB-CD2 3.46Å; K189-Y208 VanDerWaalsContact CB-CD2 3.46Å; K189-Y208 HydrophobicContact CB-CE2 3.92Å; K189-Y208 HydrophobicContact CB-CG 3.66Å; K189-Y208 HydrophobicContact CD-CE1 4.47Å; K189-Y208 HydrophobicContact CG-CD1 4.06Å; K189-Y208 HydrophobicContact CG-CD2 4.11Å; K189-Y208 HydrophobicContact CG-CE1 4.36Å; K189-Y208 HydrophobicContact CG-CE2 4.41Å; K189-Y208 HydrophobicContact CG-CG 3.91Å; K190-Y208 WeakPolarHBondContact O-CE2 3.37Å; F191-Y208 HydrophobicContact CB-CD2 4.29Å; F191-Y208 HydrophobicContact CD2-CD2 4.04Å; F191-Y208 HydrophobicContact CD2-CE2 4.02Å; V203-Y208 HydrophobicContact CG2-CD2 3.94Å; V203-Y208 HydrophobicContact CG2-CG 4.42Å; C204-Y208 PolarHBondContact O-N 2.83Å; E205-Y208 WeakPolarHBondContact O-CB 3.07Å; E205-Y208 PolarHBondContact O-N 3.46Å; H206-Y208 VanDerWaalsContact C-N 3.34Å; Y208-M210 PolarHBondContact O-N 3.37Å; Y208-L211 PolarHBondContact O-N 2.71Å; Y208-S212 WeakPolarHBondContact O-CB 3.01Å; Y208-S212 PolarHBondContact O-N 3.08Å; Y208-S212 PolarHBondContact O-OG 2.99Å
209G96.2Very high82.8Confident39 Ų3975.3 Ų75.340%0.40242%0.424SS..Hα-helixtrans-58.9-42.7178.700000113.7E205 H206 S212 G213E205-G209 PolarHBondContact O-N 3.01Å; H206-G209 PolarHBondContact O-N 2.93Å; G209-S212 WeakPolarHBondContact CA-OG 3.48Å; G209-S212 PolarHBondContact O-OG 2.96Å; G209-S212 VanDerWaalsContact O-OG 3.1Å; G209-G213 PolarHBondContact O-N 3.04Å
210M94.9Very high80.5Confident105 Ų10579.1 Ų79.152%0.51744%0.444SS..Hα-helixtrans-63.6-45.2175.3-68.6-170.4-6200112.1H206 C207 Y208 G213 S214H206-M210 WeakPolarHBondContact NE2-CE 3.35Å; H206-M210 WeakPolarHBondContact O-CG 3.38Å; H206-M210 PolarHBondContact O-N 3.5Å; C207-M210 PolarHBondContact O-N 2.82Å; Y208-M210 PolarHBondContact O-N 3.37Å; M210-G213 PolarHBondContact O-N 2.87Å; M210-S214 PolarHBondContact O-N 2.95Å; M210-S214 PolarHBondContact O-OG 3.35Å
211L94.3Very high77.7Confident22 Ų2280 Ų8012%0.11545%0.451CS..Hα-helixtrans-70.7-37-177.8-69.4166.5000112.2K177 F191 L193 V203 C207 Y208 S214K177-L211 HydrophobicContact CB-CD1 4.31Å; K177-L211 HydrophobicContact CD-CD2 4.41Å; K177-L211 HydrophobicContact CG-CD1 4.17Å; F191-L211 HydrophobicContact CB-CD1 4.24Å; F191-L211 HydrophobicContact CD1-CB 4.07Å; F191-L211 HydrophobicContact CD1-CD1 3.74Å; F191-L211 HydrophobicContact CD1-CG 4.34Å; F191-L211 HydrophobicContact CD2-CB 3.86Å; F191-L211 HydrophobicContact CD2-CD1 4.43Å; F191-L211 HydrophobicContact CE1-CB 3.83Å; F191-L211 HydrophobicContact CE1-CD1 4.21Å; F191-L211 HydrophobicContact CE1-CD2 4.23Å; F191-L211 HydrophobicContact CE1-CG 4.32Å; F191-L211 HydrophobicContact CE2-CB 3.59Å; F191-L211 HydrophobicContact CG-CB 4.1Å; F191-L211 HydrophobicContact CG-CD1 3.88Å; F191-L211 HydrophobicContact CZ-CB 3.57Å; L193-L211 HydrophobicContact CD2-CD1 4.06Å; V203-L211 HydrophobicContact CG1-CD1 4.43Å; C207-L211 WeakPolarHBondContact O-CB 3.29Å; C207-L211 WeakPolarHBondContact O-CD1 3.5Å; C207-L211 WeakPolarHBondContact O-CG 3.45Å; C207-L211 PolarHBondContact O-N 3.24Å; Y208-L211 PolarHBondContact O-N 2.71Å; L211-S214 PolarHBondContact O-OG 2.94Å
212S92.2Very high74.9Confident47 Ų4787.3 Ų87.333%0.32949%0.486SS..Hα-helixtrans-72.3-35.1174.460.80000111.9Y208 G209 S214 L215Y208-S212 WeakPolarHBondContact O-CB 3.01Å; Y208-S212 PolarHBondContact O-N 3.08Å; Y208-S212 PolarHBondContact O-OG 2.99Å; G209-S212 WeakPolarHBondContact CA-OG 3.48Å; G209-S212 PolarHBondContact O-OG 2.96Å; G209-S212 VanDerWaalsContact O-OG 3.1Å; S212-S214 VanDerWaalsContact C-N 3.29Å; S212-S214 PolarHBondContact O-N 2.7Å; S212-L215 CarbonylContact O-C 3.47Å; S212-L215 PolarHBondContact O-N 3.41Å; S212-L215 VanDerWaalsContact O-N 3.08Å
213G81.8Confident72Confident60 Ų6089.4 Ų89.462%0.61951%0.511SS*.Hα-helixtrans-66.5-29.5176.600000113.4G209 M210 L215G209-G213 PolarHBondContact O-N 3.04Å; M210-G213 PolarHBondContact O-N 2.87Å; G213-L215 VanDerWaalsContact C-N 3.26Å; G213-L215 PolarHBondContact O-N 3.42Å
214S69.1Low69Low89 Ų89100.7 Ų100.762%0.62255%0.554SS**THydrogen-bonded Turntrans-74.3-12.6171.451.50000114.3M210 L211 S212M210-S214 PolarHBondContact O-N 2.95Å; M210-S214 PolarHBondContact O-OG 3.35Å; L211-S214 PolarHBondContact O-OG 2.94Å; S212-S214 VanDerWaalsContact C-N 3.29Å; S212-S214 PolarHBondContact O-N 2.7Å
215L61.9Low66.5Low118 Ų118106 Ų10662%0.61859%0.588SS**SBendtrans-10557.6175.1-64.5177.4000110.2F191 S212 G213F191-L215 HydrophobicContact CE2-CD1 4Å; F191-L215 HydrophobicContact CZ-CD1 3.57Å; F191-L215 HydrophobicContact CZ-CG 4.43Å; S212-L215 CarbonylContact O-C 3.47Å; S212-L215 PolarHBondContact O-N 3.41Å; S212-L215 VanDerWaalsContact O-N 3.08Å; G213-L215 VanDerWaalsContact C-N 3.26Å; G213-L215 PolarHBondContact O-N 3.42Å
216G47.8Very low63.7Low48 Ų48104.8 Ų104.850%0.49561%0.605SS.*  trans-50.3157.7172.300000112.3R218G216-R218 PolarHBondContact O-N 3.06Å
217P43.9Very low60.7Low132 Ų132103.8 Ų103.886%0.85762%0.615SS**  trans-61.2107.3-164.125.1-32.4000110.8S219P217-S219 PolarHBondContact O-N 3.42Å
218R47.2Very low58Low241 Ų241111.4 Ų111.491%0.90966%0.655SS**  trans-70.7108.5157.9-80.7-177.1142.1-167.2-6.5106G216 E220G216-R218 PolarHBondContact O-N 3.06Å; R218-E220 PolarHBondContact O-N 3.44Å
219S39.1Very low55.1Low100 Ų100116.4 Ų116.470%0.69968%0.679SS**  trans-45.2122.5169.8550000109.7P217 S221P217-S219 PolarHBondContact O-N 3.42Å; S219-S221 PolarHBondContact O-N 3Å
220E45.8Very low52Low199 Ų199122.1 Ų122.193%0.9370%0.701SS**  trans-56.3109.4164.4-71.5177.3137.600108.6R218R218-E220 PolarHBondContact O-N 3.44Å
221S39.8Very low49.1Very low92 Ų92124.5 Ų124.564%0.64372%0.715SS**  trans-158.2136.6149.656.50000112S219S219-S221 PolarHBondContact O-N 3Å
222M37.1Very low46.1Very low177 Ų177130.9 Ų130.987%0.87275%0.749SS**  trans94.683.4158.3-49.8-129.8-167.400118.6
223S37.1Very low43.5Very low111 Ų111134.9 Ų134.978%0.77677%0.772SS**  28.7115.1115-51.60000121.6
224R35.8Very low41.5Very low236 Ų236139.7 Ų139.789%0.89178%0.783SS**  trans75.5168.5142.1-56.7-176.8102.2-161.68.5119.1
225P44.4Very low39.8Very low112 Ų112139.9 Ų139.973%0.72778%0.784SS**  -130.7157.3-65.837.5-21.5000113.3
226G38.7Very low38.6Very low84 Ų84139 Ų13987%0.86678%0.78SS**  trans64103.614800000119.4
227A32.7Very low37.9Very low83 Ų83141.4 Ų141.469%0.68678%0.782SS**  trans-144.2117.8152.200000110.1F229A227-F229 PolarHBondContact O-N 3.43Å
228N40.7Very low37.4Very low162 Ų162139.6 Ų139.687%0.86677%0.765SS**  trans-54.6124.7171.1-104.5-5.2000110.5
229F36.5Very low37.1Very low187 Ų187130.4 Ų130.482%0.8273%0.734SS**  trans-122.1120.1158.7-84.7-79.8000109.3A227 N231A227-F229 PolarHBondContact O-N 3.43Å; F229-N231 PolarHBondContact O-N 3.46Å
230N31.6Very low36.9Very low160 Ų160130.6 Ų130.686%0.85673%0.727SS**  trans-57.1126.7176-87.2-9.9000110.8
231N32.6Very low36.5Very low155 Ų155126.1 Ų126.183%0.82971%0.709SS**  trans-67.2126169.5-81.4-25.1000110.6F229F229-N231 PolarHBondContact O-N 3.46Å
232N33.1Very low36.6Very low155 Ų155124.5 Ų124.583%0.82969%0.693SS**  trans-11997.4149.1-105.23.3000108.1L234N232-L234 PolarHBondContact O-N 3.49Å
233T37.3Very low36.5Very low132 Ų132120 Ų12081%0.8168%0.679SS**  trans12.591.3153.538.20000117.2
234L38.2Very low36.2Very low161 Ų161119 Ų11984%0.84367%0.672SS**  trans-75.5114.6142-77.1156000106.1N232 D236N232-L234 PolarHBondContact O-N 3.49Å; L234-D236 PolarHBondContact O-N 2.97Å
235S35Very low36.1Very low92 Ų92116.5 Ų116.564%0.64368%0.677SS**  trans-65.6104.4168.250.90000107.7D237S235-D237 PolarHBondContact O-N 3.24Å
236D35.5Very low35.7Very low101 Ų101116.8 Ų116.854%0.5467%0.674SS.*  trans-60.685.1163.7-75.9-33.5000107.9L234 D238L234-D236 PolarHBondContact O-N 2.97Å; D236-D238 PolarHBondContact O-N 3.41Å
237D33.8Very low35.6Very low97 Ų97118.5 Ų118.552%0.51966%0.664SS.*  trans-74.975.2157.2-81.4-21.9000106.9H78 S235 D239H78-D237 IonicContact ND1-OD2 2.88Å; S235-D237 PolarHBondContact O-N 3.24Å; D237-D239 PolarHBondContact O-N 3.46Å
238D34.2Very low35.7Very low95 Ų95120.4 Ų120.451%0.50866%0.663SS.*  trans-58.189151.3-82.7-37.4000105.9D236 D240D236-D238 PolarHBondContact O-N 3.41Å; D238-D240 PolarHBondContact O-N 3.26Å
239D39.2Very low35.4Very low47 Ų47118 Ų11825%0.25165%0.651SS.*  trans-66.566.1160.3-90.4-31.1000107.7H78 K107 D237 D241H78-D239 IonicContact CE1-OD1 2.6Å; H78-D239 IonicContact CE1-OD2 3.24Å; K107-D239 IonicContact NZ-OD2 2.71Å; K107-D239 PolarHBondContact NZ-OD2 3.06Å; D237-D239 PolarHBondContact O-N 3.46Å; D239-D241 PolarHBondContact O-N 2.98Å
240D35.2Very low35.4Very low105 Ų105113.7 Ų113.756%0.56164%0.64SS**G310 helixtrans-71.46.1168.6-87.9-25.7000111.9D238 D242 S243D238-D240 PolarHBondContact O-N 3.26Å; D240-D242 PolarHBondContact O-N 3.44Å; D240-S243 PolarHBondContact O-N 3.48Å; D240-S243 PolarHBondContact O-OG 3.04Å
241D37.4Very low35.6Very low105 Ų105110.6 Ų110.656%0.56163%0.626SS**G310 helixtrans-79.88.5175.6-98.2-39.7000114.4K76 D239K76-D241 WeakPolarHBondContact CE-OD2 3.5Å; K76-D241 IonicContact NZ-OD2 3.55Å; K76-D241 PolarHBondContact NZ-OD2 3.36Å; D239-D241 PolarHBondContact O-N 2.98Å
242D42Very low35.8Very low57 Ų57107.4 Ų107.431%0.30561%0.612SS.*G310 helixtrans-111.15.5167-86.6-43.3000113.2R47 D240R47-D242 WeakPolarHBondContact CD-OD2 3.36Å; R47-D242 IonicContact CZ-OD2 3.7Å; R47-D242 IonicContact NE-OD2 3.52Å; R47-D242 PolarHBondContact NE-OD2 3.05Å; R47-D242 VanDerWaalsContact NH1-CB 3.35Å; R47-D242 IonicContact NH1-OD2 2.64Å; R47-D242 IonicContact NH2-OD2 3.86Å; R47-D242 PolarHBondContact NH2-OD2 2.85Å; R47-D242 VanDerWaalsContact NH2-OD2 3.16Å; D240-D242 PolarHBondContact O-N 3.44Å
243S36.4Very low36.1Very low83 Ų83103.8 Ų103.858%0.5860%0.595SS**  trans-123.182.5167.751.20000110.8D240D240-S243 PolarHBondContact O-N 3.48Å; D240-S243 PolarHBondContact O-OG 3.04Å
244S30.7Very low36Very low89 Ų89101.4 Ų101.462%0.62258%0.577SS**  trans-131.3137.5150.324.40000106.4
245D34Very low35.8Very low185 Ų18596 Ų9699%0.98955%0.553SS**  trans-44.60-158.4-88.9-55.3000119.6R171R171-D245 IonicContact CZ-OD1 2.98Å; R171-D245 IonicContact NH1-OD1 3.63Å; R171-D245 PolarHBondContact NH1-OD1 3.13Å; R171-D245 IonicContact NH2-OD1 3.16Å; R171-D245 PolarHBondContact NH2-OD1 2.94Å; R171-D245 PolarHBondContact NH2-OXT 3.26Å

Retrieved 245 of 245 residues in 51.6 ms (Link to these results)

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