G4VA23_SCHMA Loading...

Putative 22.6kDa tegument-associated antigen

AlphaFold DB , UniProt , Accession G4VA23, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 183 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
1M70.9Confident87.8Confident188 Ų18860.5 Ų60.593%0.92630%0.297SS*.  0-68.50-72.9-105.5-76.800109.9E3 E4 F5M1-E3 PolarHBondContact O-N 2.74Å; M1-E4 WeakPolarHBondContact O-CB 3.38Å; M1-E4 PolarHBondContact O-N 3.16Å; M1-F5 VanDerWaalsContact O-CD2 3.31Å; M1-F5 WeakPolarHBondContact O-CD2 3.48Å; M1-F5 PolarHBondContact O-N 2.89Å
2L84.9Confident88.2Confident68 Ų6856.4 Ų56.436%0.35628%0.277SS..Hα-helixtrans-52.2-47.3-179.2-179.259000114.4E4 F5 I6 L63 P162L2-E4 PolarHBondContact O-N 2.72Å; L2-F5 WeakPolarHBondContact O-CB 3.24Å; L2-F5 PolarHBondContact O-N 3.28Å; L2-F5 VanDerWaalsContact O-N 3.14Å; L2-I6 HydrophobicContact CD1-CD1 4.25Å; L2-I6 HydrophobicContact CD1-CG1 4.39Å; L2-I6 HydrophobicContact CG-CD1 3.99Å; L2-I6 WeakPolarHBondContact O-CG1 3.32Å; L2-I6 PolarHBondContact O-N 3.27Å; L2-L63 HydrophobicContact CD1-CB 4.25Å; L2-L63 HydrophobicContact CD1-CD1 3.85Å; L2-L63 HydrophobicContact CD1-CD2 4.11Å; L2-L63 HydrophobicContact CD1-CG 4.3Å; L2-P162 HydrophobicContact CD2-CG 3.69Å; L2-P162 HydrophobicContact CG-CG 4.14Å
3E87.3Confident88.3Confident21 Ų2152.6 Ų52.610%0.09826%0.26CS..Hα-helixtrans-58.3-33.7177.4-73.5-178.4159.700113.8M1 K7 K98 H160 P162 F163M1-E3 PolarHBondContact O-N 2.74Å; E3-K7 VanDerWaalsContact O-CG 3.26Å; E3-K7 WeakPolarHBondContact O-CG 3.13Å; E3-K7 PolarHBondContact O-N 3.33Å; E3-K98 WeakPolarHBondContact OE2-CD 3.43Å; E3-K98 WeakPolarHBondContact OE2-CE 3.34Å; E3-K98 IonicContact OE2-NZ 2.65Å; E3-K98 PolarHBondContact OE2-NZ 2.93Å; E3-H160 IonicContact OE1-CE1 3.97Å; E3-P162 HydrophobicContact CG-CB 4.02Å; E3-F163 HydrophobicContact CB-CD1 4.42Å; E3-F163 HydrophobicContact CB-CE1 3.6Å; E3-F163 HydrophobicContact CB-CZ 4.04Å; E3-F163 HydrophobicContact CG-CD1 3.99Å; E3-F163 HydrophobicContact CG-CE1 3.61Å; E3-F163 HydrophobicContact CG-CZ 4.13Å; E3-F163 PolarHBondContact OE1-N 3.16Å
4E86.9Confident87.9Confident113 Ų11351.2 Ų51.253%0.52826%0.258SS..Hα-helixtrans-74.7-36.8178.1-64-57.9130.300111.2M1 L2 I6 K7 A8M1-E4 WeakPolarHBondContact O-CB 3.38Å; M1-E4 PolarHBondContact O-N 3.16Å; L2-E4 PolarHBondContact O-N 2.72Å; E4-I6 VanDerWaalsContact C-N 3.34Å; E4-K7 PolarHBondContact O-N 3.25Å; E4-K7 IonicContact OE1-NZ 2.94Å; E4-K7 PolarHBondContact OE1-NZ 3.19Å; E4-A8 WeakPolarHBondContact O-CB 3.32Å; E4-A8 PolarHBondContact O-N 3.4Å
5F87.8Confident87.3Confident81 Ų8155.8 Ų55.836%0.35528%0.283SS..Hα-helixtrans-60.9-45.1170.7-79.3-81.4000111.4M1 L2 A8 Y9 W42M1-F5 VanDerWaalsContact O-CD2 3.31Å; M1-F5 WeakPolarHBondContact O-CD2 3.48Å; M1-F5 PolarHBondContact O-N 2.89Å; L2-F5 WeakPolarHBondContact O-CB 3.24Å; L2-F5 PolarHBondContact O-N 3.28Å; L2-F5 VanDerWaalsContact O-N 3.14Å; F5-A8 PolarHBondContact O-N 3.42Å; F5-Y9 PolarHBondContact O-N 3.03Å; F5-W42 HydrophobicContact CD1-CH2 4.42Å; F5-W42 AromaticContact CD1-CZ2 3.65Å; F5-W42 HydrophobicContact CD1-CZ2 3.65Å; F5-W42 HydrophobicContact CE1-CZ2 4.21Å
6I91.8Very high86.8Confident1 Ų157.3 Ų57.31%0.00532%0.316CS..Hα-helixtrans-61.6-47.4177.4-66.7164.4000110.9L2 E4 A8 Y9 L10 F59 L65 M70 P162 F163L2-I6 HydrophobicContact CD1-CD1 4.25Å; L2-I6 HydrophobicContact CD1-CG1 4.39Å; L2-I6 HydrophobicContact CG-CD1 3.99Å; L2-I6 WeakPolarHBondContact O-CG1 3.32Å; L2-I6 PolarHBondContact O-N 3.27Å; E4-I6 VanDerWaalsContact C-N 3.34Å; I6-A8 VanDerWaalsContact C-N 3.33Å; I6-A8 PolarHBondContact O-N 2.91Å; I6-Y9 PolarHBondContact O-N 2.95Å; I6-L10 HydrophobicContact CG2-CD1 3.81Å; I6-L10 HydrophobicContact CG2-CG 4.27Å; I6-L10 WeakPolarHBondContact O-CB 3.22Å; I6-L10 VanDerWaalsContact O-CG 3.29Å; I6-L10 WeakPolarHBondContact O-CG 3.49Å; I6-L10 PolarHBondContact O-N 3.44Å; I6-F59 HydrophobicContact CG1-CE1 4.15Å; I6-F59 HydrophobicContact CG1-CZ 4.49Å; I6-L65 HydrophobicContact CD1-CD1 3.73Å; I6-L65 HydrophobicContact CD1-CD2 3.97Å; I6-L65 HydrophobicContact CG1-CD1 3.66Å; I6-M70 HydrophobicContact CB-CE 4.44Å; I6-M70 HydrophobicContact CG1-SD 4.32Å; I6-M70 HydrophobicContact CG2-CE 3.48Å; I6-M70 VanDerWaalsContact CG2-CE 3.48Å; I6-M70 HydrophobicContact CG2-SD 3.46Å; I6-M70 WeakPolarHBondContact CG2-SD 3.34Å; I6-P162 HydrophobicContact CD1-CB 3.59Å; I6-P162 HydrophobicContact CD1-CG 3.76Å; I6-F163 HydrophobicContact CB-CE2 3.97Å; I6-F163 HydrophobicContact CB-CZ 3.84Å; I6-F163 HydrophobicContact CD1-CE2 3.98Å; I6-F163 HydrophobicContact CD1-CZ 4.27Å; I6-F163 HydrophobicContact CG2-CE2 3.39Å; I6-F163 HydrophobicContact CG2-CZ 3.64Å
7K90.1Very high86.6Confident72 Ų7258.6 Ų58.631%0.31332%0.323SS..Hα-helixtrans-59.8-44.7177.3-73.1170.6-169.2170.80111.6E3 E4 Y9 L10 D11 F163E3-K7 VanDerWaalsContact O-CG 3.26Å; E3-K7 WeakPolarHBondContact O-CG 3.13Å; E3-K7 PolarHBondContact O-N 3.33Å; E4-K7 PolarHBondContact O-N 3.25Å; E4-K7 IonicContact OE1-NZ 2.94Å; E4-K7 PolarHBondContact OE1-NZ 3.19Å; K7-Y9 VanDerWaalsContact C-N 3.34Å; K7-Y9 PolarHBondContact O-N 2.78Å; K7-L10 PolarHBondContact O-N 3.28Å; K7-D11 WeakPolarHBondContact O-CB 3.46Å; K7-D11 PolarHBondContact O-N 3.38Å; K7-F163 HydrophobicContact CG-CE1 4.29Å; K7-F163 HydrophobicContact CG-CZ 4.21Å
8A91.2Very high86.8Confident10 Ų1057.6 Ų57.68%0.08332%0.317CS..Hα-helixtrans-60.1-45.1177.800000111.4E4 F5 I6 L10 D11 V12 Y28 W42E4-A8 WeakPolarHBondContact O-CB 3.32Å; E4-A8 PolarHBondContact O-N 3.4Å; F5-A8 PolarHBondContact O-N 3.42Å; I6-A8 VanDerWaalsContact C-N 3.33Å; I6-A8 PolarHBondContact O-N 2.91Å; A8-L10 PolarHBondContact O-N 3.11Å; A8-D11 PolarHBondContact O-N 3.4Å; A8-V12 WeakPolarHBondContact O-CG2 3.21Å; A8-V12 PolarHBondContact O-N 2.84Å; A8-V12 VanDerWaalsContact O-N 3.11Å; A8-Y28 HydrophobicContact CB-CE1 4.09Å; A8-W42 HydrophobicContact CB-CH2 3.78Å; A8-W42 HydrophobicContact CB-CZ2 4.04Å
9Y93.6Very high87.2Confident0 Ų055.7 Ų55.70%031%0.307CS..Hα-helixtrans-60.6-46.7176.7179.6-97.8000112F5 I6 K7 D11 V12 C13 L18 A20 W42 I54 S55 M56 F59 M70F5-Y9 PolarHBondContact O-N 3.03Å; I6-Y9 PolarHBondContact O-N 2.95Å; K7-Y9 VanDerWaalsContact C-N 3.34Å; K7-Y9 PolarHBondContact O-N 2.78Å; Y9-D11 VanDerWaalsContact C-N 3.3Å; Y9-D11 PolarHBondContact O-N 3.41Å; Y9-V12 PolarHBondContact O-N 2.75Å; Y9-V12 VanDerWaalsContact O-N 3.12Å; Y9-C13 HydrophobicContact CE1-CB 4.22Å; Y9-C13 PolarHBondContact O-N 3.23Å; Y9-C13 PolarHBondContact O-SG 3.39Å; Y9-C13 VanDerWaalsContact O-SG 3.37Å; Y9-L18 PolarHBondContact OH-O 2.79Å; Y9-A20 HydrophobicContact CD2-CB 4.22Å; Y9-A20 HydrophobicContact CE2-CB 3.75Å; Y9-W42 HydrophobicContact CD2-CZ3 4.05Å; Y9-W42 HydrophobicContact CG-CZ3 4.5Å; Y9-I54 HydrophobicContact CD2-CG2 4.43Å; Y9-I54 HydrophobicContact CE2-CB 4.17Å; Y9-I54 HydrophobicContact CE2-CG2 3.73Å; Y9-I54 PolarHBondContact OH-O 2.86Å; Y9-S55 PolarHBondContact OH-O 3.1Å; Y9-M56 HydrophobicContact CD1-CE 4.47Å; Y9-M56 HydrophobicContact CD1-SD 4.33Å; Y9-M56 HydrophobicContact CE1-CB 4.5Å; Y9-M56 HydrophobicContact CE1-CE 3.77Å; Y9-M56 HydrophobicContact CE1-SD 3.65Å; Y9-M56 WeakPolarHBondContact OH-CA 3.43Å; Y9-M56 PolarHBondContact OH-N 3.39Å; Y9-F59 VanDerWaalsContact CB-CZ 3.44Å; Y9-F59 HydrophobicContact CD1-CB 4.44Å; Y9-F59 AromaticContact CD1-CD1 3.7Å; Y9-F59 HydrophobicContact CD1-CD1 3.7Å; Y9-F59 HydrophobicContact CD1-CD2 4.4Å; Y9-F59 AromaticContact CD1-CE1 3.99Å; Y9-F59 HydrophobicContact CD1-CE1 3.99Å; Y9-F59 AromaticContact CD1-CG 3.91Å; Y9-F59 HydrophobicContact CD1-CG 3.91Å; Y9-F59 HydrophobicContact CD1-CZ 4.46Å; Y9-F59 HydrophobicContact CD2-CB 4.15Å; Y9-F59 HydrophobicContact CD2-CD1 4.28Å; Y9-F59 AromaticContact CD2-CD2 3.49Å; Y9-F59 HydrophobicContact CD2-CD2 3.49Å; Y9-F59 VanDerWaalsContact CD2-CD2 3.49Å; Y9-F59 AromaticContact CD2-CE2 3.89Å; Y9-F59 HydrophobicContact CD2-CE2 3.89Å; Y9-F59 AromaticContact CD2-CG 3.7Å; Y9-F59 HydrophobicContact CD2-CG 3.7Å; Y9-F59 HydrophobicContact CD2-CZ 4.43Å; Y9-F59 HydrophobicContact CE1-CB 4.18Å; Y9-F59 HydrophobicContact CE1-CD1 4.16Å; Y9-F59 HydrophobicContact CE1-CG 4.16Å; Y9-F59 HydrophobicContact CE2-CB 3.89Å; Y9-F59 HydrophobicContact CE2-CD2 4.06Å; Y9-F59 AromaticContact CE2-CG 3.97Å; Y9-F59 HydrophobicContact CE2-CG 3.97Å; Y9-F59 HydrophobicContact CG-CB 4.43Å; Y9-F59 AromaticContact CG-CD1 3.78Å; Y9-F59 HydrophobicContact CG-CD1 3.78Å; Y9-F59 AromaticContact CG-CD2 3.7Å; Y9-F59 HydrophobicContact CG-CD2 3.7Å; Y9-F59 AromaticContact CG-CE1 3.86Å; Y9-F59 HydrophobicContact CG-CE1 3.86Å; Y9-F59 AromaticContact CG-CE2 3.79Å; Y9-F59 HydrophobicContact CG-CE2 3.79Å; Y9-F59 AromaticContact CG-CG 3.69Å; Y9-F59 HydrophobicContact CG-CG 3.69Å; Y9-F59 AromaticContact CG-CZ 3.87Å; Y9-F59 HydrophobicContact CG-CZ 3.87Å; Y9-M70 HydrophobicContact CD1-CE 4.29Å
10L91.7Very high87.5Confident9 Ų952.9 Ų52.95%0.04729%0.292CS..Hα-helixtrans-66.5-29.2180-69178.2000113.8I6 K7 A8 M56 M70 E73 K74I6-L10 HydrophobicContact CG2-CD1 3.81Å; I6-L10 HydrophobicContact CG2-CG 4.27Å; I6-L10 WeakPolarHBondContact O-CB 3.22Å; I6-L10 VanDerWaalsContact O-CG 3.29Å; I6-L10 WeakPolarHBondContact O-CG 3.49Å; I6-L10 PolarHBondContact O-N 3.44Å; K7-L10 PolarHBondContact O-N 3.28Å; A8-L10 PolarHBondContact O-N 3.11Å; L10-M56 HydrophobicContact CD2-CE 3.77Å; L10-M70 HydrophobicContact CD1-CE 4.2Å; L10-M70 HydrophobicContact CD2-CE 3.86Å; L10-M70 HydrophobicContact CG-CE 3.97Å; L10-E73 HydrophobicContact CD1-CB 4.4Å; L10-E73 HydrophobicContact CD1-CG 4.23Å; L10-K74 HydrophobicContact CD2-CB 3.88Å; L10-K74 HydrophobicContact CD2-CD 4.19Å; L10-K74 HydrophobicContact CD2-CG 4.2Å
11D89.8Confident87.8Confident103 Ų10353.6 Ų53.655%0.55129%0.293SS*.Hα-helixtrans-73.1-29.1173.2-84.50.5000112.3K7 A8 Y9 Y28K7-D11 WeakPolarHBondContact O-CB 3.46Å; K7-D11 PolarHBondContact O-N 3.38Å; A8-D11 PolarHBondContact O-N 3.4Å; Y9-D11 VanDerWaalsContact C-N 3.3Å; Y9-D11 PolarHBondContact O-N 3.41Å; D11-Y28 HydrophobicContact CB-CD2 4.22Å; D11-Y28 HydrophobicContact CB-CE2 3.66Å
12V92.1Very high89Confident11 Ų1148.1 Ų48.17%0.06726%0.262CS..Hα-helixtrans-85.7-47.4-177.2175.10000110.9A8 Y9 A20 E24 L25 Y28A8-V12 WeakPolarHBondContact O-CG2 3.21Å; A8-V12 PolarHBondContact O-N 2.84Å; A8-V12 VanDerWaalsContact O-N 3.11Å; Y9-V12 PolarHBondContact O-N 2.75Å; Y9-V12 VanDerWaalsContact O-N 3.12Å; V12-A20 HydrophobicContact CB-CB 4.3Å; V12-A20 HydrophobicContact CG1-CB 3.63Å; V12-E24 HydrophobicContact CG1-CB 3.72Å; V12-L25 HydrophobicContact CB-CD2 4.36Å; V12-L25 HydrophobicContact CG1-CD2 3.8Å; V12-L25 HydrophobicContact CG1-CG 3.92Å; V12-L25 HydrophobicContact CG2-CD2 4.05Å; V12-Y28 HydrophobicContact CG2-CD1 4.03Å; V12-Y28 HydrophobicContact CG2-CD2 3.64Å; V12-Y28 HydrophobicContact CG2-CE2 4.32Å; V12-Y28 HydrophobicContact CG2-CG 3.48Å; V12-Y28 VanDerWaalsContact CG2-CG 3.48Å
13C90.2Very high89.4Confident7 Ų749.7 Ų49.75%0.04727%0.267CS..SBendtrans-67.3147.2-168.664.60000112.3Y9 V19 A20 K74Y9-C13 HydrophobicContact CE1-CB 4.22Å; Y9-C13 PolarHBondContact O-N 3.23Å; Y9-C13 PolarHBondContact O-SG 3.39Å; Y9-C13 VanDerWaalsContact O-SG 3.37Å; C13-V19 CarbonylContact C-O 3.51Å; C13-V19 WeakPolarHBondContact CA-O 3.4Å; C13-V19 VanDerWaalsContact CB-O 3.28Å; C13-V19 WeakPolarHBondContact CB-O 3.25Å; C13-A20 HydrophobicContact CB-CB 4.09Å; C13-K74 PolarHBondContact O-NZ 2.92Å; C13-K74 PolarHBondContact SG-NZ 3.34Å
14S83.1Confident89.7Confident33 Ų3350.8 Ų50.823%0.23127%0.272CS..  trans-68.2148.6-179.5106.90000111.6G16 D17 L18 V19 K74S14-G16 PolarHBondContact O-N 3.25Å; S14-G16 PolarHBondContact OG-N 2.88Å; S14-D17 WeakPolarHBondContact CB-OD1 3.46Å; S14-D17 PolarHBondContact OG-N 3.04Å; S14-D17 PolarHBondContact OG-OD1 3.18Å; S14-L18 WeakPolarHBondContact O-CA 3.5Å; S14-L18 PolarHBondContact O-N 2.93Å; S14-L18 VanDerWaalsContact O-N 3.16Å; S14-V19 PolarHBondContact N-O 2.87Å; S14-K74 PolarHBondContact O-NZ 3.3Å
15D78.2Confident90Very high120 Ų12045.6 Ų45.664%0.64225%0.248SC*.THydrogen-bonded Turntrans-67.5-23.8178.8-79.5-26.3000112.8K74 N78D15-K74 WeakPolarHBondContact OD1-CE 3.04Å; D15-K74 IonicContact OD1-NZ 3.78Å; D15-N78 PolarHBondContact OD1-ND2 2.94Å
16G78.6Confident90.3Very high79 Ų7943.5 Ų43.581%0.81424%0.242SC*.THydrogen-bonded Turntrans-84.4-42.9-171.900000114S14S14-G16 PolarHBondContact O-N 3.25Å; S14-G16 PolarHBondContact OG-N 2.88Å
17D84.2Confident90.5Very high81 Ų8147.7 Ų47.743%0.43326%0.264SS..THydrogen-bonded Turntrans-115.6-11.7-173.658.417.9000113.9S14 V19S14-D17 WeakPolarHBondContact CB-OD1 3.46Å; S14-D17 PolarHBondContact OG-N 3.04Å; S14-D17 PolarHBondContact OG-OD1 3.18Å; D17-V19 HydrophobicContact CB-CB 4.45Å; D17-V19 HydrophobicContact CB-CG2 3.99Å; D17-V19 PolarHBondContact O-N 3.44Å; D17-V19 WeakPolarHBondContact OD1-CB 3.46Å; D17-V19 PolarHBondContact OD1-N 2.89Å
18L89.9Confident90.6Very high40 Ų4046.3 Ų46.321%0.20926%0.257CS..  trans5735-173.6-51.8172.9000112.5Y9 S14 M56 C71 K74Y9-L18 PolarHBondContact OH-O 2.79Å; S14-L18 WeakPolarHBondContact O-CA 3.5Å; S14-L18 PolarHBondContact O-N 2.93Å; S14-L18 VanDerWaalsContact O-N 3.16Å; L18-M56 HydrophobicContact CB-CB 3.96Å; L18-M56 HydrophobicContact CB-CE 3.99Å; L18-M56 HydrophobicContact CD1-CE 4.21Å; L18-M56 HydrophobicContact CD2-CE 4.12Å; L18-M56 HydrophobicContact CG-CE 4.35Å; L18-M56 PolarHBondContact O-N 3.42Å; L18-M56 VanDerWaalsContact O-N 3.14Å; L18-C71 WeakPolarHBondContact CD1-SG 3.16Å; L18-K74 HydrophobicContact CD2-CD 3.5Å
19V94.2Very high90.7Very high21 Ų2146.2 Ų46.213%0.12726%0.256CS..EExtended strand (participates in β ladder)trans-108.6139.2175.1-179.40000108.7C13 S14 D17 Q53C13-V19 CarbonylContact C-O 3.51Å; C13-V19 WeakPolarHBondContact CA-O 3.4Å; C13-V19 VanDerWaalsContact CB-O 3.28Å; C13-V19 WeakPolarHBondContact CB-O 3.25Å; S14-V19 PolarHBondContact N-O 2.87Å; D17-V19 HydrophobicContact CB-CB 4.45Å; D17-V19 HydrophobicContact CB-CG2 3.99Å; D17-V19 PolarHBondContact O-N 3.44Å; D17-V19 WeakPolarHBondContact OD1-CB 3.46Å; D17-V19 PolarHBondContact OD1-N 2.89Å; V19-Q53 HydrophobicContact CG1-CB 3.62Å; V19-Q53 HydrophobicContact CG1-CG 4.28Å
20A94.3Very high90.7Very high0 Ų052.1 Ų52.10%028%0.282CS..EExtended strand (participates in β ladder)trans-103.2108.1169.600000108.7Y9 V12 C13 I54Y9-A20 HydrophobicContact CD2-CB 4.22Å; Y9-A20 HydrophobicContact CE2-CB 3.75Å; V12-A20 HydrophobicContact CB-CB 4.3Å; V12-A20 HydrophobicContact CG1-CB 3.63Å; C13-A20 HydrophobicContact CB-CB 4.09Å; A20-I54 HydrophobicContact CB-CB 4.4Å; A20-I54 PolarHBondContact N-O 3.27Å; A20-I54 PolarHBondContact O-N 3.17Å
21E94Very high90.9Very high67 Ų6760.4 Ų60.431%0.31332%0.317SS..EExtended strand (participates in β ladder)trans-78.2151.5176.5-62.6-169.4-149.300111.2H23 E24 L25 Q53E21-H23 WeakPolarHBondContact CB-ND1 3.38Å; E21-H23 VanDerWaalsContact CD-CE1 3.42Å; E21-H23 PolarHBondContact O-N 3.21Å; E21-H23 VanDerWaalsContact O-N 3.1Å; E21-H23 IonicContact OE1-CE1 3.54Å; E21-H23 IonicContact OE2-CE1 2.64Å; E21-H23 PolarHBondContact OE2-CE1 3.47Å; E21-H23 IonicContact OE2-ND1 3.27Å; E21-H23 PolarHBondContact OE2-ND1 2.91Å; E21-E24 HydrophobicContact CB-CG 4.15Å; E21-E24 PolarHBondContact N-OE2 3.2Å; E21-E24 WeakPolarHBondContact O-CB 3.26Å; E21-E24 PolarHBondContact O-N 3.06Å; E21-L25 PolarHBondContact O-N 3.22Å; E21-Q53 HydrophobicContact CG-CG 4.2Å
22R94.5Very high91Very high74 Ų7460.8 Ų60.828%0.27931%0.314SS..Hα-helixtrans-49.1-41.5176.1175.9-178-78-89.16.1112.9L25 V26 V39 Q40 I43 D52R22-L25 PolarHBondContact O-N 3.29Å; R22-V26 WeakPolarHBondContact O-CG2 3.43Å; R22-V26 PolarHBondContact O-N 2.94Å; R22-V39 HydrophobicContact CG-CG1 4.05Å; R22-Q40 VanDerWaalsContact NH2-OE1 3.13Å; R22-I43 HydrophobicContact CB-CD1 4.45Å; R22-D52 WeakPolarHBondContact CB-O 2.97Å; R22-D52 IonicContact CZ-OD1 3.56Å; R22-D52 PolarHBondContact N-O 3.45Å; R22-D52 IonicContact NE-OD1 3.73Å; R22-D52 PolarHBondContact NE-OD1 3.34Å; R22-D52 IonicContact NH2-OD1 2.8Å; R22-D52 PolarHBondContact NH2-OD1 3.22Å
23H94.1Very high91Very high100 Ų10067.5 Ų67.546%0.46335%0.35SS..Hα-helixtrans-69.6-35.6-177.378.1-90.5000112.1E21 V26 D27E21-H23 WeakPolarHBondContact CB-ND1 3.38Å; E21-H23 VanDerWaalsContact CD-CE1 3.42Å; E21-H23 PolarHBondContact O-N 3.21Å; E21-H23 VanDerWaalsContact O-N 3.1Å; E21-H23 IonicContact OE1-CE1 3.54Å; E21-H23 IonicContact OE2-CE1 2.64Å; E21-H23 PolarHBondContact OE2-CE1 3.47Å; E21-H23 IonicContact OE2-ND1 3.27Å; E21-H23 PolarHBondContact OE2-ND1 2.91Å; H23-V26 WeakPolarHBondContact O-CB 3.48Å; H23-V26 PolarHBondContact O-N 3.26Å; H23-D27 PolarHBondContact O-N 3.08Å
24E94.1Very high91.1Very high44 Ų4470.8 Ų70.821%0.20637%0.366CS..Hα-helixtrans-66.2-40174.1-60.1177.1132.900111.2V12 E21 V26 D27 Y28V12-E24 HydrophobicContact CG1-CB 3.72Å; E21-E24 HydrophobicContact CB-CG 4.15Å; E21-E24 PolarHBondContact N-OE2 3.2Å; E21-E24 WeakPolarHBondContact O-CB 3.26Å; E21-E24 PolarHBondContact O-N 3.06Å; E24-V26 PolarHBondContact O-N 3.34Å; E24-D27 PolarHBondContact O-N 2.92Å; E24-Y28 WeakPolarHBondContact O-CB 3.33Å; E24-Y28 PolarHBondContact O-N 2.91Å
25L92.9Very high91.5Very high5 Ų573.9 Ų73.93%0.02638%0.38CS..Hα-helixtrans-61.5-42.5173.5-73.6166.8000112V12 E21 R22 Y28 C29 V39 W42 I43 I54V12-L25 HydrophobicContact CB-CD2 4.36Å; V12-L25 HydrophobicContact CG1-CD2 3.8Å; V12-L25 HydrophobicContact CG1-CG 3.92Å; V12-L25 HydrophobicContact CG2-CD2 4.05Å; E21-L25 PolarHBondContact O-N 3.22Å; R22-L25 PolarHBondContact O-N 3.29Å; L25-Y28 PolarHBondContact O-N 3.16Å; L25-C29 WeakPolarHBondContact O-CB 3.43Å; L25-C29 PolarHBondContact O-N 3.06Å; L25-C29 PolarHBondContact O-SG 3.21Å; L25-V39 HydrophobicContact CB-CG1 4.12Å; L25-V39 HydrophobicContact CB-CG2 4.29Å; L25-W42 HydrophobicContact CD1-CB 4.41Å; L25-W42 HydrophobicContact CD2-CD2 4.21Å; L25-W42 HydrophobicContact CD2-CE3 3.71Å; L25-W42 HydrophobicContact CD2-CZ3 4.18Å; L25-I43 HydrophobicContact CD1-CD1 4.05Å; L25-I54 HydrophobicContact CD1-CD1 3.85Å
26V94.6Very high92.2Very high36 Ų3672.1 Ų72.122%0.21837%0.368CS..Hα-helixtrans-59.9-47.6175.3168.30000110.4R22 H23 E24 C29 K30 V39R22-V26 WeakPolarHBondContact O-CG2 3.43Å; R22-V26 PolarHBondContact O-N 2.94Å; H23-V26 WeakPolarHBondContact O-CB 3.48Å; H23-V26 PolarHBondContact O-N 3.26Å; E24-V26 PolarHBondContact O-N 3.34Å; V26-C29 PolarHBondContact O-N 3.2Å; V26-K30 HydrophobicContact CG1-CD 4.12Å; V26-K30 VanDerWaalsContact CG1-CE 3.42Å; V26-K30 WeakPolarHBondContact O-CG 3.38Å; V26-K30 PolarHBondContact O-N 3.22Å; V26-V39 HydrophobicContact CB-CG2 4.5Å; V26-V39 HydrophobicContact CG2-CB 4.45Å; V26-V39 HydrophobicContact CG2-CG1 3.96Å; V26-V39 HydrophobicContact CG2-CG2 3.89Å
27D94.5Very high92.9Very high89 Ų8973.2 Ų73.248%0.47636%0.355SS..Hα-helixtrans-67.4-37.6-178.5-74.8-13.1000112.1H23 E24 K30 K31H23-D27 PolarHBondContact O-N 3.08Å; E24-D27 PolarHBondContact O-N 2.92Å; D27-K30 PolarHBondContact O-N 2.86Å; D27-K30 IonicContact OD1-NZ 3.65Å; D27-K31 VanDerWaalsContact O-CB 3.25Å; D27-K31 WeakPolarHBondContact O-CB 3.46Å; D27-K31 PolarHBondContact O-N 2.89Å
28Y93.2Very high93.2Very high43 Ų4371.8 Ų71.817%0.16935%0.348CS..Hα-helixtrans-60.3-48.1170.9-179.2-90.9000111.9A8 D11 V12 E24 L25 K30 K31 K32 L34A8-Y28 HydrophobicContact CB-CE1 4.09Å; D11-Y28 HydrophobicContact CB-CD2 4.22Å; D11-Y28 HydrophobicContact CB-CE2 3.66Å; V12-Y28 HydrophobicContact CG2-CD1 4.03Å; V12-Y28 HydrophobicContact CG2-CD2 3.64Å; V12-Y28 HydrophobicContact CG2-CE2 4.32Å; V12-Y28 HydrophobicContact CG2-CG 3.48Å; V12-Y28 VanDerWaalsContact CG2-CG 3.48Å; E24-Y28 WeakPolarHBondContact O-CB 3.33Å; E24-Y28 PolarHBondContact O-N 2.91Å; L25-Y28 PolarHBondContact O-N 3.16Å; Y28-K30 VanDerWaalsContact C-N 3.34Å; Y28-K30 PolarHBondContact O-N 3.14Å; Y28-K31 PolarHBondContact O-N 3.37Å; Y28-K32 HydrophobicContact CD1-CG 4.45Å; Y28-K32 HydrophobicContact CD2-CG 4.5Å; Y28-K32 HydrophobicContact CE1-CG 4.07Å; Y28-K32 HydrophobicContact CE2-CG 4.15Å; Y28-K32 WeakPolarHBondContact O-CB 3.24Å; Y28-K32 PolarHBondContact O-N 2.95Å; Y28-L34 HydrophobicContact CD1-CD1 4.41Å; Y28-L34 HydrophobicContact CE1-CD1 3.98Å
29C93.4Very high93.4Very high8 Ų870.1 Ų70.15%0.05434%0.339CS..Hα-helixtrans-61.6-42.4178.6-69.50000111.5L25 V26 N33 L34 V39L25-C29 WeakPolarHBondContact O-CB 3.43Å; L25-C29 PolarHBondContact O-N 3.06Å; L25-C29 PolarHBondContact O-SG 3.21Å; V26-C29 PolarHBondContact O-N 3.2Å; C29-N33 PolarHBondContact O-N 2.85Å; C29-L34 HydrophobicContact CB-CB 4.29Å; C29-L34 PolarHBondContact O-N 2.91Å; C29-V39 HydrophobicContact CB-CG2 4.39Å
30K94.2Very high93.4Very high125 Ų12572.7 Ų72.754%0.54335%0.35SS..Hα-helixtrans-61.9-48.7174.5-72.7172-174.1161.80111.7V26 D27 Y28 K32 N33V26-K30 HydrophobicContact CG1-CD 4.12Å; V26-K30 VanDerWaalsContact CG1-CE 3.42Å; V26-K30 WeakPolarHBondContact O-CG 3.38Å; V26-K30 PolarHBondContact O-N 3.22Å; D27-K30 PolarHBondContact O-N 2.86Å; D27-K30 IonicContact OD1-NZ 3.65Å; Y28-K30 VanDerWaalsContact C-N 3.34Å; Y28-K30 PolarHBondContact O-N 3.14Å; K30-K32 VanDerWaalsContact C-N 3.29Å; K30-K32 PolarHBondContact O-N 2.93Å; K30-N33 PolarHBondContact O-N 2.87Å; K30-N33 VanDerWaalsContact O-N 3.14Å
31K94.3Very high93.3Very high183 Ų18378.1 Ų78.180%0.79638%0.375SS*.Hα-helixtrans-61.2-36.9-178.3-178.4178.5178.9-177.70112.5D27 Y28D27-K31 VanDerWaalsContact O-CB 3.25Å; D27-K31 WeakPolarHBondContact O-CB 3.46Å; D27-K31 PolarHBondContact O-N 2.89Å; Y28-K31 PolarHBondContact O-N 3.37Å
32K92.5Very high93.3Very high111 Ų11176.1 Ų76.148%0.48336%0.364SS..THydrogen-bonded Turntrans-91.61.1179.4-64.9-74.5-172.3167.10113.5Y28 K30 L34Y28-K32 HydrophobicContact CD1-CG 4.45Å; Y28-K32 HydrophobicContact CD2-CG 4.5Å; Y28-K32 HydrophobicContact CE1-CG 4.07Å; Y28-K32 HydrophobicContact CE2-CG 4.15Å; Y28-K32 WeakPolarHBondContact O-CB 3.24Å; Y28-K32 PolarHBondContact O-N 2.95Å; K30-K32 VanDerWaalsContact C-N 3.29Å; K30-K32 PolarHBondContact O-N 2.93Å; K32-L34 VanDerWaalsContact C-N 3.32Å; K32-L34 HydrophobicContact CB-CD1 3.82Å; K32-L34 HydrophobicContact CB-CG 3.74Å; K32-L34 PolarHBondContact O-N 3.1Å
33N92.8Very high93.4Very high152 Ų15273 Ų7381%0.81335%0.353SS*.THydrogen-bonded Turntrans54.345.6-176.2-16237.4000113.1C29 K30C29-N33 PolarHBondContact O-N 2.85Å; K30-N33 PolarHBondContact O-N 2.87Å; K30-N33 VanDerWaalsContact O-N 3.14Å
34L91.7Very high93.3Very high75 Ų7573.8 Ų73.839%0.39336%0.361SS..  trans-97.2159.4178.2-59.5174.4000111.3Y28 C29 K32 Q36 L38Y28-L34 HydrophobicContact CD1-CD1 4.41Å; Y28-L34 HydrophobicContact CE1-CD1 3.98Å; C29-L34 HydrophobicContact CB-CB 4.29Å; C29-L34 PolarHBondContact O-N 2.91Å; K32-L34 VanDerWaalsContact C-N 3.32Å; K32-L34 HydrophobicContact CB-CD1 3.82Å; K32-L34 HydrophobicContact CB-CG 3.74Å; K32-L34 PolarHBondContact O-N 3.1Å; L34-Q36 PolarHBondContact O-N 3.02Å; L34-Q36 PolarHBondContact O-NE2 3.06Å; L34-L38 HydrophobicContact CB-CD1 3.83Å; L34-L38 HydrophobicContact CD1-CD1 4.49Å
35D92.3Very high93.3Very high99 Ų9977.4 Ų77.453%0.52938%0.378SS..  trans-59.7127175.4-174.5-5.3000110.5N37 L38D35-N37 PolarHBondContact O-N 2.84Å; D35-N37 PolarHBondContact OD1-N 3.28Å; D35-L38 HydrophobicContact CB-CD1 4.36Å; D35-L38 HydrophobicContact CB-CG 4.41Å; D35-L38 VanDerWaalsContact O-CB 3.24Å; D35-L38 WeakPolarHBondContact O-CB 3.38Å; D35-L38 WeakPolarHBondContact O-CD1 3.19Å; D35-L38 WeakPolarHBondContact O-CG 3.23Å; D35-L38 PolarHBondContact O-N 3.2Å
36Q91.6Very high93.4Very high82 Ų8277.5 Ų77.538%0.38338%0.378SS..THydrogen-bonded Turntrans-65.8-22.1179.9-60.6-62.9-68.800112.4L34 L38 V39L34-Q36 PolarHBondContact O-N 3.02Å; L34-Q36 PolarHBondContact O-NE2 3.06Å; Q36-L38 PolarHBondContact O-N 3Å; Q36-V39 WeakPolarHBondContact O-CB 3.28Å; Q36-V39 PolarHBondContact O-N 2.97Å; Q36-V39 VanDerWaalsContact O-N 3.16Å
37N93.4Very high93.4Very high103 Ų10376.5 Ų76.555%0.55137%0.371SS*.Hα-helixtrans-63-20.7172.8-72.9-37.7000112.9D35 V39 Q40 Q41D35-N37 PolarHBondContact O-N 2.84Å; D35-N37 PolarHBondContact OD1-N 3.28Å; N37-V39 PolarHBondContact O-N 3.14Å; N37-Q40 PolarHBondContact O-N 3.24Å; N37-Q41 WeakPolarHBondContact O-CG 3.14Å; N37-Q41 PolarHBondContact O-N 3.05Å; N37-Q41 VanDerWaalsContact O-N 3.11Å
38L91.6Very high93.3Very high51 Ų5176.6 Ų76.627%0.26738%0.375SS..Hα-helixtrans-59.9-32.6174.9-71.2164.2000111.7L34 D35 Q36 Q40 Q41 W42L34-L38 HydrophobicContact CB-CD1 3.83Å; L34-L38 HydrophobicContact CD1-CD1 4.49Å; D35-L38 HydrophobicContact CB-CD1 4.36Å; D35-L38 HydrophobicContact CB-CG 4.41Å; D35-L38 VanDerWaalsContact O-CB 3.24Å; D35-L38 WeakPolarHBondContact O-CB 3.38Å; D35-L38 WeakPolarHBondContact O-CD1 3.19Å; D35-L38 WeakPolarHBondContact O-CG 3.23Å; D35-L38 PolarHBondContact O-N 3.2Å; Q36-L38 PolarHBondContact O-N 3Å; L38-Q40 PolarHBondContact O-N 3.33Å; L38-Q41 PolarHBondContact O-N 3.49Å; L38-W42 PolarHBondContact O-N 3.45Å
39V93.4Very high93.4Very high5 Ų579.7 Ų79.73%0.0339%0.394CS..Hα-helixtrans-59.2-50177.1179.40000110R22 L25 V26 C29 Q36 N37 Q41 W42 I43R22-V39 HydrophobicContact CG-CG1 4.05Å; L25-V39 HydrophobicContact CB-CG1 4.12Å; L25-V39 HydrophobicContact CB-CG2 4.29Å; V26-V39 HydrophobicContact CB-CG2 4.5Å; V26-V39 HydrophobicContact CG2-CB 4.45Å; V26-V39 HydrophobicContact CG2-CG1 3.96Å; V26-V39 HydrophobicContact CG2-CG2 3.89Å; C29-V39 HydrophobicContact CB-CG2 4.39Å; Q36-V39 WeakPolarHBondContact O-CB 3.28Å; Q36-V39 PolarHBondContact O-N 2.97Å; Q36-V39 VanDerWaalsContact O-N 3.16Å; N37-V39 PolarHBondContact O-N 3.14Å; V39-Q41 VanDerWaalsContact C-N 3.32Å; V39-Q41 PolarHBondContact O-N 3.32Å; V39-W42 PolarHBondContact O-N 2.95Å; V39-I43 WeakPolarHBondContact O-CG1 3.44Å; V39-I43 PolarHBondContact O-N 3.22Å
40Q93.9Very high93.4Very high75 Ų7587.9 Ų87.935%0.3543%0.429SS..Hα-helixtrans-65.5-38.7-179.8-167.8594300111.5R22 N37 L38 W42 I43 D44R22-Q40 VanDerWaalsContact NH2-OE1 3.13Å; N37-Q40 PolarHBondContact O-N 3.24Å; L38-Q40 PolarHBondContact O-N 3.33Å; Q40-W42 VanDerWaalsContact C-N 3.3Å; Q40-W42 PolarHBondContact O-N 3.29Å; Q40-I43 PolarHBondContact O-N 3.01Å; Q40-D44 PolarHBondContact NE2-OD1 2.93Å; Q40-D44 WeakPolarHBondContact O-CB 3.46Å; Q40-D44 PolarHBondContact O-N 3.4Å
41Q93.2Very high93.4Very high113 Ų11385.5 Ų85.553%0.52842%0.422SS..Hα-helixtrans-62-36.8175.6-68.9175.55.800112.7N37 L38 V39 H45N37-Q41 WeakPolarHBondContact O-CG 3.14Å; N37-Q41 PolarHBondContact O-N 3.05Å; N37-Q41 VanDerWaalsContact O-N 3.11Å; L38-Q41 PolarHBondContact O-N 3.49Å; V39-Q41 VanDerWaalsContact C-N 3.32Å; V39-Q41 PolarHBondContact O-N 3.32Å; Q41-H45 VanDerWaalsContact O-CB 3.24Å; Q41-H45 WeakPolarHBondContact O-CB 3.45Å; Q41-H45 PolarHBondContact O-N 3.28Å
42W93.9Very high93.3Very high25 Ų2580.4 Ų80.410%0.09540%0.404CS..Hα-helixtrans-68.3-48.9176.9-84.152.8000111.2F5 A8 Y9 L25 L38 V39 Q40 H45 F46 I54 F59F5-W42 HydrophobicContact CD1-CH2 4.42Å; F5-W42 AromaticContact CD1-CZ2 3.65Å; F5-W42 HydrophobicContact CD1-CZ2 3.65Å; F5-W42 HydrophobicContact CE1-CZ2 4.21Å; A8-W42 HydrophobicContact CB-CH2 3.78Å; A8-W42 HydrophobicContact CB-CZ2 4.04Å; Y9-W42 HydrophobicContact CD2-CZ3 4.05Å; Y9-W42 HydrophobicContact CG-CZ3 4.5Å; L25-W42 HydrophobicContact CD1-CB 4.41Å; L25-W42 HydrophobicContact CD2-CD2 4.21Å; L25-W42 HydrophobicContact CD2-CE3 3.71Å; L25-W42 HydrophobicContact CD2-CZ3 4.18Å; L38-W42 PolarHBondContact O-N 3.45Å; V39-W42 PolarHBondContact O-N 2.95Å; Q40-W42 VanDerWaalsContact C-N 3.3Å; Q40-W42 PolarHBondContact O-N 3.29Å; W42-H45 PolarHBondContact O-N 3.35Å; W42-F46 HydrophobicContact CB-CD2 4.25Å; W42-F46 HydrophobicContact CD2-CD2 4.3Å; W42-F46 HydrophobicContact CD2-CE2 4.04Å; W42-F46 HydrophobicContact CE3-CD2 4.18Å; W42-F46 HydrophobicContact CE3-CE2 4.11Å; W42-F46 HydrophobicContact CG-CD2 4.36Å; W42-F46 HydrophobicContact CG-CE2 4.27Å; W42-F46 WeakPolarHBondContact O-CB 3.49Å; W42-F46 VanDerWaalsContact O-CD2 3.26Å; W42-F46 WeakPolarHBondContact O-CD2 3.45Å; W42-F46 PolarHBondContact O-N 2.86Å; W42-I54 HydrophobicContact CB-CD1 4.02Å; W42-I54 HydrophobicContact CE3-CD1 4.21Å; W42-F59 HydrophobicContact CH2-CE2 4.38Å; W42-F59 HydrophobicContact CZ3-CE2 4.09Å
43I94.9Very high93.5Very high9 Ų978.3 Ų78.35%0.04640%0.395CS..Hα-helixtrans-57.2-53.3175.7-62.4-59.8000109.9R22 L25 V39 Q40 H45 F46 D47 I54R22-I43 HydrophobicContact CB-CD1 4.45Å; L25-I43 HydrophobicContact CD1-CD1 4.05Å; V39-I43 WeakPolarHBondContact O-CG1 3.44Å; V39-I43 PolarHBondContact O-N 3.22Å; Q40-I43 PolarHBondContact O-N 3.01Å; I43-H45 PolarHBondContact O-N 3.47Å; I43-F46 PolarHBondContact O-N 2.84Å; I43-D47 HydrophobicContact CG2-CB 3.93Å; I43-D47 WeakPolarHBondContact O-CB 3.46Å; I43-D47 PolarHBondContact O-N 2.61Å; I43-I54 HydrophobicContact CD1-CD1 4.16Å; I43-I54 HydrophobicContact CD1-CG1 4.07Å
44D93.8Very high93.6Very high117 Ų11771 Ų7163%0.62636%0.357SS*.Hα-helixtrans-58.4-27.2-177.8-70-15.4000113.6Q40Q40-D44 PolarHBondContact NE2-OD1 2.93Å; Q40-D44 WeakPolarHBondContact O-CB 3.46Å; Q40-D44 PolarHBondContact O-N 3.4Å
45H92.6Very high93.7Very high120 Ų12069.1 Ų69.156%0.55635%0.349SS*.Hα-helixtrans-94.3-36-176.6-165.962.9000113.7Q41 W42 I43Q41-H45 VanDerWaalsContact O-CB 3.24Å; Q41-H45 WeakPolarHBondContact O-CB 3.45Å; Q41-H45 PolarHBondContact O-N 3.28Å; W42-H45 PolarHBondContact O-N 3.35Å; I43-H45 PolarHBondContact O-N 3.47Å
46F95Very high93.8Very high7 Ų764.9 Ų64.93%0.03133%0.327CS..Hα-helixtrans-109.6-36.3-170.3-61.2-64.4000113.8W42 I43 V48 I54 E58 F59 A62 L63W42-F46 HydrophobicContact CB-CD2 4.25Å; W42-F46 HydrophobicContact CD2-CD2 4.3Å; W42-F46 HydrophobicContact CD2-CE2 4.04Å; W42-F46 HydrophobicContact CE3-CD2 4.18Å; W42-F46 HydrophobicContact CE3-CE2 4.11Å; W42-F46 HydrophobicContact CG-CD2 4.36Å; W42-F46 HydrophobicContact CG-CE2 4.27Å; W42-F46 WeakPolarHBondContact O-CB 3.49Å; W42-F46 VanDerWaalsContact O-CD2 3.26Å; W42-F46 WeakPolarHBondContact O-CD2 3.45Å; W42-F46 PolarHBondContact O-N 2.86Å; I43-F46 PolarHBondContact O-N 2.84Å; F46-V48 PolarHBondContact O-N 2.67Å; F46-V48 VanDerWaalsContact O-N 3.16Å; F46-I54 HydrophobicContact CB-CB 4.48Å; F46-I54 HydrophobicContact CB-CD1 3.89Å; F46-I54 HydrophobicContact CB-CG1 4.05Å; F46-I54 HydrophobicContact CB-CG2 3.59Å; F46-I54 HydrophobicContact CD2-CD1 4.17Å; F46-I54 HydrophobicContact CG-CD1 4.48Å; F46-I54 HydrophobicContact CG-CG2 4.37Å; F46-E58 WeakPolarHBondContact O-CB 3.31Å; F46-F59 AromaticContact CD1-CD2 3.97Å; F46-F59 HydrophobicContact CD1-CD2 3.97Å; F46-F59 HydrophobicContact CD2-CD2 4.29Å; F46-F59 AromaticContact CE1-CD2 3.9Å; F46-F59 HydrophobicContact CE1-CD2 3.9Å; F46-F59 HydrophobicContact CE1-CE2 4.03Å; F46-F59 HydrophobicContact CE2-CD2 4.22Å; F46-F59 HydrophobicContact CE2-CE2 4.03Å; F46-F59 HydrophobicContact CG-CD2 4.18Å; F46-F59 HydrophobicContact CZ-CD2 4.02Å; F46-F59 AromaticContact CZ-CE2 3.76Å; F46-F59 HydrophobicContact CZ-CE2 3.76Å; F46-A62 HydrophobicContact CD1-CB 3.51Å; F46-A62 HydrophobicContact CE1-CB 3.76Å; F46-L63 HydrophobicContact CE1-CD1 4.15Å; F46-L63 HydrophobicContact CE1-CD2 4.02Å; F46-L63 HydrophobicContact CE1-CG 3.89Å; F46-L63 HydrophobicContact CZ-CD1 4.35Å; F46-L63 HydrophobicContact CZ-CD2 4.34Å; F46-L63 HydrophobicContact CZ-CG 4.45Å
47D95.1Very high93.9Very high15 Ų1566.3 Ų66.38%0.0833%0.333CS..  trans-76.6100.2179.6174.45000109.3I43 K50 D51 D52 Q53 I54I43-D47 HydrophobicContact CG2-CB 3.93Å; I43-D47 WeakPolarHBondContact O-CB 3.46Å; I43-D47 PolarHBondContact O-N 2.61Å; D47-K50 WeakPolarHBondContact OD1-CA 3.48Å; D47-K50 PolarHBondContact OD1-N 2.94Å; D47-K50 WeakPolarHBondContact OD2-CA 3.42Å; D47-D51 PolarHBondContact OD1-N 2.8Å; D47-D51 PolarHBondContact OD2-N 3.32Å; D47-D52 WeakPolarHBondContact OD2-CA 3.45Å; D47-D52 PolarHBondContact OD2-N 2.99Å; D47-Q53 WeakPolarHBondContact CB-O 3.4Å; D47-I54 HydrophobicContact CB-CG1 4.35Å
48V93.5Very high94Very high91 Ų9161.9 Ų61.955%0.55231%0.309SS*.SBendtrans-91.1-33.3-173.8173.20000111.5F46 E58F46-V48 PolarHBondContact O-N 2.67Å; F46-V48 VanDerWaalsContact O-N 3.16Å; V48-E58 PolarHBondContact N-OE1 2.77Å
49D94.3Very high94.2Very high107 Ų10759.5 Ų59.557%0.57230%0.297SS*.SBendtrans-87.3-8.5-179.668.513.6000113.8D51D49-D51 WeakPolarHBondContact OD1-CB 3.38Å; D49-D51 VanDerWaalsContact OD1-CG 3.26Å; D49-D51 PolarHBondContact OD1-N 2.66Å
50K92.7Very high94.2Very high180 Ų18059.3 Ų59.378%0.78330%0.296SS*.  trans67.640.5174.5-53.2-177.9179.2-178.20112.9D47D47-K50 WeakPolarHBondContact OD1-CA 3.48Å; D47-K50 PolarHBondContact OD1-N 2.94Å; D47-K50 WeakPolarHBondContact OD2-CA 3.42Å
51D94.9Very high94.1Very high75 Ų7562.6 Ų62.640%0.40131%0.305SS..SBendtrans-93.47.5176.580.4-8.2000113.9D47 D49 Q53D47-D51 PolarHBondContact OD1-N 2.8Å; D47-D51 PolarHBondContact OD2-N 3.32Å; D49-D51 WeakPolarHBondContact OD1-CB 3.38Å; D49-D51 VanDerWaalsContact OD1-CG 3.26Å; D49-D51 PolarHBondContact OD1-N 2.66Å; D51-Q53 PolarHBondContact O-N 2.9Å; D51-Q53 WeakPolarHBondContact OD1-CA 3.44Å; D51-Q53 VanDerWaalsContact OD1-CB 3.25Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.41Å; D51-Q53 PolarHBondContact OD1-N 3.36Å
52D93.1Very high94.1Very high77 Ų7759.5 Ų59.541%0.41230%0.299SS..SBendtrans64.319.8-176.1-89-47.7000113.8R22 D47R22-D52 WeakPolarHBondContact CB-O 2.97Å; R22-D52 IonicContact CZ-OD1 3.56Å; R22-D52 PolarHBondContact N-O 3.45Å; R22-D52 IonicContact NE-OD1 3.73Å; R22-D52 PolarHBondContact NE-OD1 3.34Å; R22-D52 IonicContact NH2-OD1 2.8Å; R22-D52 PolarHBondContact NH2-OD1 3.22Å; D47-D52 WeakPolarHBondContact OD2-CA 3.45Å; D47-D52 PolarHBondContact OD2-N 2.99Å
53Q95.1Very high93.9Very high66 Ų6660.6 Ų60.631%0.30831%0.306SS..EExtended strand (participates in β ladder)trans-127.5156.1176.3-54.5171.85500110.1V19 E21 D47 D51V19-Q53 HydrophobicContact CG1-CB 3.62Å; V19-Q53 HydrophobicContact CG1-CG 4.28Å; E21-Q53 HydrophobicContact CG-CG 4.2Å; D47-Q53 WeakPolarHBondContact CB-O 3.4Å; D51-Q53 PolarHBondContact O-N 2.9Å; D51-Q53 WeakPolarHBondContact OD1-CA 3.44Å; D51-Q53 VanDerWaalsContact OD1-CB 3.25Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.41Å; D51-Q53 PolarHBondContact OD1-N 3.36Å
54I95.4Very high93.6Very high0 Ų063.5 Ų63.50%034%0.339CS..EExtended strand (participates in β ladder)trans-120.4102.2174.8-55.7170.1000108.2Y9 A20 L25 W42 I43 F46 D47 F59Y9-I54 HydrophobicContact CD2-CG2 4.43Å; Y9-I54 HydrophobicContact CE2-CB 4.17Å; Y9-I54 HydrophobicContact CE2-CG2 3.73Å; Y9-I54 PolarHBondContact OH-O 2.86Å; A20-I54 HydrophobicContact CB-CB 4.4Å; A20-I54 PolarHBondContact N-O 3.27Å; A20-I54 PolarHBondContact O-N 3.17Å; L25-I54 HydrophobicContact CD1-CD1 3.85Å; W42-I54 HydrophobicContact CB-CD1 4.02Å; W42-I54 HydrophobicContact CE3-CD1 4.21Å; I43-I54 HydrophobicContact CD1-CD1 4.16Å; I43-I54 HydrophobicContact CD1-CG1 4.07Å; F46-I54 HydrophobicContact CB-CB 4.48Å; F46-I54 HydrophobicContact CB-CD1 3.89Å; F46-I54 HydrophobicContact CB-CG1 4.05Å; F46-I54 HydrophobicContact CB-CG2 3.59Å; F46-I54 HydrophobicContact CD2-CD1 4.17Å; F46-I54 HydrophobicContact CG-CD1 4.48Å; F46-I54 HydrophobicContact CG-CG2 4.37Å; D47-I54 HydrophobicContact CB-CG1 4.35Å; I54-F59 HydrophobicContact CG2-CB 4.09Å
55S94.8Very high93.5Very high34 Ų3459.5 Ų59.524%0.23832%0.317CS..EExtended strand (participates in β ladder)trans-70.4154.8174.467.90000111.9Y9 E57 E58 F59Y9-S55 PolarHBondContact OH-O 3.1Å; S55-E57 PolarHBondContact O-N 3.21Å; S55-E58 WeakPolarHBondContact CB-OE2 3.31Å; S55-E58 PolarHBondContact N-OE2 3.09Å; S55-E58 PolarHBondContact O-N 2.7Å; S55-E58 WeakPolarHBondContact OG-CB 3.48Å; S55-E58 VanDerWaalsContact OG-CG 3.22Å; S55-E58 WeakPolarHBondContact OG-CG 3.46Å; S55-E58 PolarHBondContact OG-N 3.16Å; S55-E58 PolarHBondContact OG-OE2 3.37Å; S55-F59 PolarHBondContact O-N 3.37Å
56M94.1Very high93.3Very high10 Ų1057.1 Ų57.15%0.04931%0.308CS..Hα-helixtrans-57.7-34.8175.7-179.570.273.600111.2Y9 L10 L18 C60 M70Y9-M56 HydrophobicContact CD1-CE 4.47Å; Y9-M56 HydrophobicContact CD1-SD 4.33Å; Y9-M56 HydrophobicContact CE1-CB 4.5Å; Y9-M56 HydrophobicContact CE1-CE 3.77Å; Y9-M56 HydrophobicContact CE1-SD 3.65Å; Y9-M56 WeakPolarHBondContact OH-CA 3.43Å; Y9-M56 PolarHBondContact OH-N 3.39Å; L10-M56 HydrophobicContact CD2-CE 3.77Å; L18-M56 HydrophobicContact CB-CB 3.96Å; L18-M56 HydrophobicContact CB-CE 3.99Å; L18-M56 HydrophobicContact CD1-CE 4.21Å; L18-M56 HydrophobicContact CD2-CE 4.12Å; L18-M56 HydrophobicContact CG-CE 4.35Å; L18-M56 PolarHBondContact O-N 3.42Å; L18-M56 VanDerWaalsContact O-N 3.14Å; M56-C60 VanDerWaalsContact O-CB 3.23Å; M56-C60 WeakPolarHBondContact O-CB 3.42Å; M56-C60 PolarHBondContact O-N 2.67Å; M56-C60 PolarHBondContact O-SG 3.16Å; M56-M70 HydrophobicContact CE-CB 4.19Å; M56-M70 HydrophobicContact SD-CB 3.54Å; M56-M70 VanDerWaalsContact SD-CB 3.54Å; M56-M70 HydrophobicContact SD-CE 3.93Å; M56-M70 HydrophobicContact SD-CG 4.21Å
57E93.7Very high93.1Very high113 Ų11360.7 Ų60.753%0.52833%0.325SS..Hα-helixtrans-63.1-48.2177.7171.1161.6-163.700112S55 C60 R61 Q67S55-E57 PolarHBondContact O-N 3.21Å; E57-C60 PolarHBondContact O-N 3.01Å; E57-R61 WeakPolarHBondContact O-CB 3.29Å; E57-R61 PolarHBondContact O-N 3.05Å; E57-Q67 VanDerWaalsContact CA-NE2 3.33Å; E57-Q67 VanDerWaalsContact CB-NE2 3.34Å; E57-Q67 VanDerWaalsContact CG-NE2 3.3Å
58E95.4Very high92.7Very high10 Ų1063.3 Ų63.35%0.04735%0.345CS..Hα-helixtrans-63.1-46.6178.2-74.3170.7121.700112.3F46 V48 S55 C60 R61 A62F46-E58 WeakPolarHBondContact O-CB 3.31Å; V48-E58 PolarHBondContact N-OE1 2.77Å; S55-E58 WeakPolarHBondContact CB-OE2 3.31Å; S55-E58 PolarHBondContact N-OE2 3.09Å; S55-E58 PolarHBondContact O-N 2.7Å; S55-E58 WeakPolarHBondContact OG-CB 3.48Å; S55-E58 VanDerWaalsContact OG-CG 3.22Å; S55-E58 WeakPolarHBondContact OG-CG 3.46Å; S55-E58 PolarHBondContact OG-N 3.16Å; S55-E58 PolarHBondContact OG-OE2 3.37Å; E58-C60 VanDerWaalsContact C-N 3.34Å; E58-C60 PolarHBondContact O-N 2.63Å; E58-R61 PolarHBondContact O-N 3.33Å; E58-A62 WeakPolarHBondContact O-CB 3.41Å; E58-A62 PolarHBondContact O-N 3.27Å
59F95Very high92.4Very high0 Ų060.8 Ų60.80%033%0.327CS..Hα-helixtrans-59-47177.6-173.5-97.9000111.3I6 Y9 W42 F46 I54 S55 L63 L65 M70I6-F59 HydrophobicContact CG1-CE1 4.15Å; I6-F59 HydrophobicContact CG1-CZ 4.49Å; Y9-F59 VanDerWaalsContact CB-CZ 3.44Å; Y9-F59 HydrophobicContact CD1-CB 4.44Å; Y9-F59 AromaticContact CD1-CD1 3.7Å; Y9-F59 HydrophobicContact CD1-CD1 3.7Å; Y9-F59 HydrophobicContact CD1-CD2 4.4Å; Y9-F59 AromaticContact CD1-CE1 3.99Å; Y9-F59 HydrophobicContact CD1-CE1 3.99Å; Y9-F59 AromaticContact CD1-CG 3.91Å; Y9-F59 HydrophobicContact CD1-CG 3.91Å; Y9-F59 HydrophobicContact CD1-CZ 4.46Å; Y9-F59 HydrophobicContact CD2-CB 4.15Å; Y9-F59 HydrophobicContact CD2-CD1 4.28Å; Y9-F59 AromaticContact CD2-CD2 3.49Å; Y9-F59 HydrophobicContact CD2-CD2 3.49Å; Y9-F59 VanDerWaalsContact CD2-CD2 3.49Å; Y9-F59 AromaticContact CD2-CE2 3.89Å; Y9-F59 HydrophobicContact CD2-CE2 3.89Å; Y9-F59 AromaticContact CD2-CG 3.7Å; Y9-F59 HydrophobicContact CD2-CG 3.7Å; Y9-F59 HydrophobicContact CD2-CZ 4.43Å; Y9-F59 HydrophobicContact CE1-CB 4.18Å; Y9-F59 HydrophobicContact CE1-CD1 4.16Å; Y9-F59 HydrophobicContact CE1-CG 4.16Å; Y9-F59 HydrophobicContact CE2-CB 3.89Å; Y9-F59 HydrophobicContact CE2-CD2 4.06Å; Y9-F59 AromaticContact CE2-CG 3.97Å; Y9-F59 HydrophobicContact CE2-CG 3.97Å; Y9-F59 HydrophobicContact CG-CB 4.43Å; Y9-F59 AromaticContact CG-CD1 3.78Å; Y9-F59 HydrophobicContact CG-CD1 3.78Å; Y9-F59 AromaticContact CG-CD2 3.7Å; Y9-F59 HydrophobicContact CG-CD2 3.7Å; Y9-F59 AromaticContact CG-CE1 3.86Å; Y9-F59 HydrophobicContact CG-CE1 3.86Å; Y9-F59 AromaticContact CG-CE2 3.79Å; Y9-F59 HydrophobicContact CG-CE2 3.79Å; Y9-F59 AromaticContact CG-CG 3.69Å; Y9-F59 HydrophobicContact CG-CG 3.69Å; Y9-F59 AromaticContact CG-CZ 3.87Å; Y9-F59 HydrophobicContact CG-CZ 3.87Å; W42-F59 HydrophobicContact CH2-CE2 4.38Å; W42-F59 HydrophobicContact CZ3-CE2 4.09Å; F46-F59 AromaticContact CD1-CD2 3.97Å; F46-F59 HydrophobicContact CD1-CD2 3.97Å; F46-F59 HydrophobicContact CD2-CD2 4.29Å; F46-F59 AromaticContact CE1-CD2 3.9Å; F46-F59 HydrophobicContact CE1-CD2 3.9Å; F46-F59 HydrophobicContact CE1-CE2 4.03Å; F46-F59 HydrophobicContact CE2-CD2 4.22Å; F46-F59 HydrophobicContact CE2-CE2 4.03Å; F46-F59 HydrophobicContact CG-CD2 4.18Å; F46-F59 HydrophobicContact CZ-CD2 4.02Å; F46-F59 AromaticContact CZ-CE2 3.76Å; F46-F59 HydrophobicContact CZ-CE2 3.76Å; I54-F59 HydrophobicContact CG2-CB 4.09Å; S55-F59 PolarHBondContact O-N 3.37Å; F59-L63 HydrophobicContact CD1-CD1 4.17Å; F59-L63 HydrophobicContact CD2-CD1 4.34Å; F59-L63 HydrophobicContact CE1-CD1 3.56Å; F59-L63 HydrophobicContact CE2-CD1 3.76Å; F59-L63 HydrophobicContact CZ-CD1 3.33Å; F59-L63 PolarHBondContact O-N 3.32Å; F59-L65 HydrophobicContact CD1-CD1 4.38Å; F59-L65 HydrophobicContact CE1-CD1 4.03Å; F59-M70 HydrophobicContact CD1-CE 4.03Å; F59-M70 HydrophobicContact CE1-CE 3.87Å
60C93.2Very high92.2Very high2 Ų256.1 Ų56.11%0.01430%0.302CS..Hα-helixtrans-65.2-41.5177.8-70.50000112.1M56 E57 E58 L63 G64 L65 Q67M56-C60 VanDerWaalsContact O-CB 3.23Å; M56-C60 WeakPolarHBondContact O-CB 3.42Å; M56-C60 PolarHBondContact O-N 2.67Å; M56-C60 PolarHBondContact O-SG 3.16Å; E57-C60 PolarHBondContact O-N 3.01Å; E58-C60 VanDerWaalsContact C-N 3.34Å; E58-C60 PolarHBondContact O-N 2.63Å; C60-L63 PolarHBondContact O-N 2.92Å; C60-G64 WeakPolarHBondContact O-CA 3.47Å; C60-G64 PolarHBondContact O-N 2.96Å; C60-L65 HydrophobicContact CB-CB 4.17Å; C60-L65 PolarHBondContact O-N 2.53Å; C60-Q67 HydrophobicContact CB-CG 3.61Å
61R92.6Very high92Very high143 Ų14349.6 Ų49.654%0.5428%0.279SS..Hα-helixtrans-62.1-45.1179.3-178.6179.464.6-165.6-6.1111.5E57 E58 L63E57-R61 WeakPolarHBondContact O-CB 3.29Å; E57-R61 PolarHBondContact O-N 3.05Å; E58-R61 PolarHBondContact O-N 3.33Å; R61-L63 VanDerWaalsContact C-N 3.28Å; R61-L63 PolarHBondContact O-N 3.39Å
62A92.2Very high91.5Very high48 Ų4850.5 Ų50.540%0.39728%0.282SS..Hα-helixtrans-63.7-34-179.800000112.8F46 E58F46-A62 HydrophobicContact CD1-CB 3.51Å; F46-A62 HydrophobicContact CE1-CB 3.76Å; E58-A62 WeakPolarHBondContact O-CB 3.41Å; E58-A62 PolarHBondContact O-N 3.27Å
63L90.8Very high91.1Very high48 Ų4847 Ų4725%0.25126%0.264SS..Hα-helixtrans-101.2-1.1-175.1-61.3179.1000114.3L2 F46 F59 C60 R61 L65L2-L63 HydrophobicContact CD1-CB 4.25Å; L2-L63 HydrophobicContact CD1-CD1 3.85Å; L2-L63 HydrophobicContact CD1-CD2 4.11Å; L2-L63 HydrophobicContact CD1-CG 4.3Å; F46-L63 HydrophobicContact CE1-CD1 4.15Å; F46-L63 HydrophobicContact CE1-CD2 4.02Å; F46-L63 HydrophobicContact CE1-CG 3.89Å; F46-L63 HydrophobicContact CZ-CD1 4.35Å; F46-L63 HydrophobicContact CZ-CD2 4.34Å; F46-L63 HydrophobicContact CZ-CG 4.45Å; F59-L63 HydrophobicContact CD1-CD1 4.17Å; F59-L63 HydrophobicContact CD2-CD1 4.34Å; F59-L63 HydrophobicContact CE1-CD1 3.56Å; F59-L63 HydrophobicContact CE2-CD1 3.76Å; F59-L63 HydrophobicContact CZ-CD1 3.33Å; F59-L63 PolarHBondContact O-N 3.32Å; C60-L63 PolarHBondContact O-N 2.92Å; R61-L63 VanDerWaalsContact C-N 3.28Å; R61-L63 PolarHBondContact O-N 3.39Å; L63-L65 VanDerWaalsContact C-N 3.33Å; L63-L65 HydrophobicContact CB-CD1 3.74Å; L63-L65 HydrophobicContact CB-CG 3.72Å; L63-L65 HydrophobicContact CD1-CD1 3.92Å; L63-L65 HydrophobicContact CG-CD1 4.48Å
64G88.9Confident90.8Very high71 Ų7144.2 Ų44.273%0.73225%0.25SS*.THydrogen-bonded Turntrans65.434.1-175.800000113.4C60C60-G64 WeakPolarHBondContact O-CA 3.47Å; C60-G64 PolarHBondContact O-N 2.96Å
65L90.5Very high90.2Very high32 Ų3248 Ų4817%0.16827%0.273CS..  trans-95.5158.1-178.3-56.9171.4000111.6I6 F59 C60 L63 M70 P162I6-L65 HydrophobicContact CD1-CD1 3.73Å; I6-L65 HydrophobicContact CD1-CD2 3.97Å; I6-L65 HydrophobicContact CG1-CD1 3.66Å; F59-L65 HydrophobicContact CD1-CD1 4.38Å; F59-L65 HydrophobicContact CE1-CD1 4.03Å; C60-L65 HydrophobicContact CB-CB 4.17Å; C60-L65 PolarHBondContact O-N 2.53Å; L63-L65 VanDerWaalsContact C-N 3.33Å; L63-L65 HydrophobicContact CB-CD1 3.74Å; L63-L65 HydrophobicContact CB-CG 3.72Å; L63-L65 HydrophobicContact CD1-CD1 3.92Å; L63-L65 HydrophobicContact CG-CD1 4.48Å; L65-M70 HydrophobicContact CB-CG 4.39Å; L65-M70 HydrophobicContact CD1-CE 4.49Å; L65-M70 HydrophobicContact CD1-SD 3.99Å; L65-P162 HydrophobicContact CD2-CG 4.06Å
66N89.1Confident89.4Confident70 Ų7048.7 Ų48.737%0.37427%0.273SS..  trans-88.7118.5172.4-174.1-51.6000110.4S68 E69 M70N66-S68 VanDerWaalsContact C-N 3.33Å; N66-S68 PolarHBondContact O-N 3.45Å; N66-S68 WeakPolarHBondContact OD1-CB 3.41Å; N66-S68 PolarHBondContact OD1-N 3.3Å; N66-S68 PolarHBondContact OD1-OG 2.93Å; N66-E69 HydrophobicContact CB-CB 4.15Å; N66-E69 HydrophobicContact CB-CG 3.85Å; N66-E69 PolarHBondContact O-N 3.12Å; N66-E69 PolarHBondContact OD1-N 3.3Å; N66-M70 WeakPolarHBondContact O-CG 3.33Å; N66-M70 PolarHBondContact O-N 3.48Å; N66-M70 VanDerWaalsContact O-N 3.1Å
67Q90Very high88.6Confident82 Ų8250.7 Ų50.738%0.38328%0.28SS..Hα-helixtrans-58.4-41.7-179.6-66.4176.624.900113E57 C60 E69 M70 C71E57-Q67 VanDerWaalsContact CA-NE2 3.33Å; E57-Q67 VanDerWaalsContact CB-NE2 3.34Å; E57-Q67 VanDerWaalsContact CG-NE2 3.3Å; C60-Q67 HydrophobicContact CB-CG 3.61Å; Q67-E69 VanDerWaalsContact C-N 3.27Å; Q67-E69 PolarHBondContact O-N 3.11Å; Q67-M70 WeakPolarHBondContact O-CB 3.45Å; Q67-M70 PolarHBondContact O-N 3.47Å; Q67-C71 PolarHBondContact O-N 2.89Å; Q67-C71 PolarHBondContact O-SG 2.92Å
68S88Confident88Confident71 Ų7148.4 Ų48.450%0.49727%0.271SS..Hα-helixtrans-63.5-36.3-17970.50000112N66 C71 I72N66-S68 VanDerWaalsContact C-N 3.33Å; N66-S68 PolarHBondContact O-N 3.45Å; N66-S68 WeakPolarHBondContact OD1-CB 3.41Å; N66-S68 PolarHBondContact OD1-N 3.3Å; N66-S68 PolarHBondContact OD1-OG 2.93Å; S68-C71 PolarHBondContact O-N 2.87Å; S68-I72 WeakPolarHBondContact O-CG1 3.41Å; S68-I72 PolarHBondContact O-N 3.43Å; S68-I72 VanDerWaalsContact O-N 3.09Å
69E87.7Confident86.9Confident38 Ų3853.8 Ų53.818%0.17829%0.294CS..Hα-helixtrans-71.1-36.3176.4-61.9-174157.600111.9N66 Q67 I72 E73 R179N66-E69 HydrophobicContact CB-CB 4.15Å; N66-E69 HydrophobicContact CB-CG 3.85Å; N66-E69 PolarHBondContact O-N 3.12Å; N66-E69 PolarHBondContact OD1-N 3.3Å; Q67-E69 VanDerWaalsContact C-N 3.27Å; Q67-E69 PolarHBondContact O-N 3.11Å; E69-I72 PolarHBondContact O-N 2.88Å; E69-E73 VanDerWaalsContact O-CB 3.27Å; E69-E73 WeakPolarHBondContact O-CB 3.47Å; E69-E73 PolarHBondContact O-N 3.04Å; E69-R179 IonicContact OE1-CZ 3.28Å; E69-R179 IonicContact OE1-NH1 3.76Å; E69-R179 PolarHBondContact OE1-NH1 2.8Å; E69-R179 IonicContact OE1-NH2 2.8Å; E69-R179 PolarHBondContact OE1-NH2 3.39Å; E69-R179 IonicContact OE2-CZ 3.02Å; E69-R179 IonicContact OE2-NH1 3.65Å; E69-R179 IonicContact OE2-NH2 2.66Å; E69-R179 PolarHBondContact OE2-NH2 2.97Å
70M89.1Confident85.5Confident8 Ų856.6 Ų56.64%0.03931%0.312CS..Hα-helixtrans-63.8-40.8174.4-70.7-73.2-63.300111.8I6 Y9 L10 M56 F59 L65 N66 Q67 E73 K74I6-M70 HydrophobicContact CB-CE 4.44Å; I6-M70 HydrophobicContact CG1-SD 4.32Å; I6-M70 HydrophobicContact CG2-CE 3.48Å; I6-M70 VanDerWaalsContact CG2-CE 3.48Å; I6-M70 HydrophobicContact CG2-SD 3.46Å; I6-M70 WeakPolarHBondContact CG2-SD 3.34Å; Y9-M70 HydrophobicContact CD1-CE 4.29Å; L10-M70 HydrophobicContact CD1-CE 4.2Å; L10-M70 HydrophobicContact CD2-CE 3.86Å; L10-M70 HydrophobicContact CG-CE 3.97Å; M56-M70 HydrophobicContact CE-CB 4.19Å; M56-M70 HydrophobicContact SD-CB 3.54Å; M56-M70 VanDerWaalsContact SD-CB 3.54Å; M56-M70 HydrophobicContact SD-CE 3.93Å; M56-M70 HydrophobicContact SD-CG 4.21Å; F59-M70 HydrophobicContact CD1-CE 4.03Å; F59-M70 HydrophobicContact CE1-CE 3.87Å; L65-M70 HydrophobicContact CB-CG 4.39Å; L65-M70 HydrophobicContact CD1-CE 4.49Å; L65-M70 HydrophobicContact CD1-SD 3.99Å; N66-M70 WeakPolarHBondContact O-CG 3.33Å; N66-M70 PolarHBondContact O-N 3.48Å; N66-M70 VanDerWaalsContact O-N 3.1Å; Q67-M70 WeakPolarHBondContact O-CB 3.45Å; Q67-M70 PolarHBondContact O-N 3.47Å; M70-E73 PolarHBondContact O-N 3.37Å; M70-K74 PolarHBondContact O-N 3.27Å
71C88.4Confident84Confident44 Ų4463.4 Ų63.430%0.29735%0.348SS..Hα-helixtrans-61.2-47.4173.2-640000111.6L18 Q67 S68 E73 K74 V75L18-C71 WeakPolarHBondContact CD1-SG 3.16Å; Q67-C71 PolarHBondContact O-N 2.89Å; Q67-C71 PolarHBondContact O-SG 2.92Å; S68-C71 PolarHBondContact O-N 2.87Å; C71-E73 VanDerWaalsContact C-N 3.29Å; C71-E73 PolarHBondContact O-N 2.96Å; C71-K74 PolarHBondContact O-N 3.35Å; C71-V75 WeakPolarHBondContact O-CG2 3.26Å; C71-V75 PolarHBondContact O-N 3.27Å; C71-V75 VanDerWaalsContact O-N 3.09Å
72I84Confident82.5Confident93 Ų9360.7 Ų60.748%0.47736%0.356SS..Hα-helixtrans-59.2-45.1176.8-69.2164.4000110.2S68 E69 K74 V75 Q76S68-I72 WeakPolarHBondContact O-CG1 3.41Å; S68-I72 PolarHBondContact O-N 3.43Å; S68-I72 VanDerWaalsContact O-N 3.09Å; E69-I72 PolarHBondContact O-N 2.88Å; I72-K74 PolarHBondContact O-N 2.87Å; I72-V75 PolarHBondContact O-N 3.42Å; I72-Q76 HydrophobicContact CG2-CG 4.3Å; I72-Q76 WeakPolarHBondContact O-CG 3.44Å; I72-Q76 PolarHBondContact O-N 3.14Å
73E85.8Confident81Confident4 Ų462.7 Ų62.72%0.01936%0.363CS..Hα-helixtrans-63.9-40.5-179-167.669.2-141.700111.9L10 E69 M70 C71 Q76 R77 F163 K164L10-E73 HydrophobicContact CD1-CB 4.4Å; L10-E73 HydrophobicContact CD1-CG 4.23Å; E69-E73 VanDerWaalsContact O-CB 3.27Å; E69-E73 WeakPolarHBondContact O-CB 3.47Å; E69-E73 PolarHBondContact O-N 3.04Å; M70-E73 PolarHBondContact O-N 3.37Å; C71-E73 VanDerWaalsContact C-N 3.29Å; C71-E73 PolarHBondContact O-N 2.96Å; E73-Q76 PolarHBondContact O-N 2.64Å; E73-R77 WeakPolarHBondContact O-CB 3.25Å; E73-R77 WeakPolarHBondContact O-CG 3.24Å; E73-R77 PolarHBondContact O-N 2.79Å; E73-R77 IonicContact OE1-CZ 3.73Å; E73-R77 IonicContact OE1-NE 3.19Å; E73-R77 PolarHBondContact OE1-NE 3.38Å; E73-R77 IonicContact OE1-NH1 2.66Å; E73-R77 IonicContact OE1-NH2 2.8Å; E73-R77 PolarHBondContact OE1-NH2 3.14Å; E73-F163 HydrophobicContact CG-CD2 3.83Å; E73-F163 HydrophobicContact CG-CE2 4.1Å; E73-K164 IonicContact OE2-NZ 2.67Å
74K87.2Confident80Confident7 Ų766.4 Ų66.43%0.0339%0.393CS..Hα-helixtrans-58.7-49.9173.4-168.1172.6-178166.70111.5L10 C13 S14 D15 L18 M70 C71 I72 Q76 R77 N78L10-K74 HydrophobicContact CD2-CB 3.88Å; L10-K74 HydrophobicContact CD2-CD 4.19Å; L10-K74 HydrophobicContact CD2-CG 4.2Å; C13-K74 PolarHBondContact O-NZ 2.92Å; C13-K74 PolarHBondContact SG-NZ 3.34Å; S14-K74 PolarHBondContact O-NZ 3.3Å; D15-K74 WeakPolarHBondContact OD1-CE 3.04Å; D15-K74 IonicContact OD1-NZ 3.78Å; L18-K74 HydrophobicContact CD2-CD 3.5Å; M70-K74 PolarHBondContact O-N 3.27Å; C71-K74 PolarHBondContact O-N 3.35Å; I72-K74 PolarHBondContact O-N 2.87Å; K74-Q76 VanDerWaalsContact C-N 3.34Å; K74-Q76 PolarHBondContact O-N 3.09Å; K74-R77 PolarHBondContact O-N 3.32Å; K74-N78 PolarHBondContact O-N 3.25Å
75V83.8Confident79.4Confident79 Ų7964.3 Ų64.348%0.47937%0.366SS..Hα-helixtrans-60.5-44.4178.81720000111.1C71 I72 R77 N78 K79C71-V75 WeakPolarHBondContact O-CG2 3.26Å; C71-V75 PolarHBondContact O-N 3.27Å; C71-V75 VanDerWaalsContact O-N 3.09Å; I72-V75 PolarHBondContact O-N 3.42Å; V75-R77 VanDerWaalsContact C-N 3.34Å; V75-R77 PolarHBondContact O-N 3.42Å; V75-N78 PolarHBondContact O-N 2.79Å; V75-K79 HydrophobicContact CG1-CD 4.38Å; V75-K79 WeakPolarHBondContact O-CG 3.45Å; V75-K79 PolarHBondContact O-N 2.84Å
76Q78.2Confident79.2Confident49 Ų4965.5 Ų65.523%0.22938%0.376CS..Hα-helixtrans-62.4-41178.3-73.9-172.85.800111.9I72 E73 K74 K79 V80 S100I72-Q76 HydrophobicContact CG2-CG 4.3Å; I72-Q76 WeakPolarHBondContact O-CG 3.44Å; I72-Q76 PolarHBondContact O-N 3.14Å; E73-Q76 PolarHBondContact O-N 2.64Å; K74-Q76 VanDerWaalsContact C-N 3.34Å; K74-Q76 PolarHBondContact O-N 3.09Å; Q76-K79 PolarHBondContact O-N 3.33Å; Q76-V80 PolarHBondContact O-N 3.09Å; Q76-S100 PolarHBondContact OE1-OG 3.44Å
77R77.9Confident79.3Confident53 Ų5371.4 Ų71.420%0.240%0.398CS..Hα-helixtrans-67.3-39.8177.6-74.3176.3176.4136.914.1112.9E73 K74 V75 K79 V80 F163E73-R77 WeakPolarHBondContact O-CB 3.25Å; E73-R77 WeakPolarHBondContact O-CG 3.24Å; E73-R77 PolarHBondContact O-N 2.79Å; E73-R77 IonicContact OE1-CZ 3.73Å; E73-R77 IonicContact OE1-NE 3.19Å; E73-R77 PolarHBondContact OE1-NE 3.38Å; E73-R77 IonicContact OE1-NH1 2.66Å; E73-R77 IonicContact OE1-NH2 2.8Å; E73-R77 PolarHBondContact OE1-NH2 3.14Å; K74-R77 PolarHBondContact O-N 3.32Å; V75-R77 VanDerWaalsContact C-N 3.34Å; V75-R77 PolarHBondContact O-N 3.42Å; R77-K79 VanDerWaalsContact C-N 3.32Å; R77-K79 PolarHBondContact O-N 2.77Å; R77-V80 PolarHBondContact O-N 3.36Å; R77-F163 VanDerWaalsContact NH2-CD2 3.34Å; R77-F163 VanDerWaalsContact NH2-CE2 3.32Å
78N79.8Confident79.5Confident64 Ų6469.1 Ų69.134%0.34239%0.39SS..Hα-helixtrans-65.9-35.3175.9-72-4.1000111.8D15 K74 V75 V80 N81D15-N78 PolarHBondContact OD1-ND2 2.94Å; K74-N78 PolarHBondContact O-N 3.25Å; V75-N78 PolarHBondContact O-N 2.79Å; N78-V80 PolarHBondContact O-N 3.37Å; N78-N81 PolarHBondContact O-N 3.34Å
79K72.3Confident79.9Confident124 Ų12467.5 Ų67.554%0.53938%0.378SS..Hα-helixtrans-64.5-33.5178.3-79.3-179.9-179.7-177.70114.3V75 Q76 R77 N81 A82 T83V75-K79 HydrophobicContact CG1-CD 4.38Å; V75-K79 WeakPolarHBondContact O-CG 3.45Å; V75-K79 PolarHBondContact O-N 2.84Å; Q76-K79 PolarHBondContact O-N 3.33Å; R77-K79 VanDerWaalsContact C-N 3.32Å; R77-K79 PolarHBondContact O-N 2.77Å; K79-N81 PolarHBondContact O-N 2.87Å; K79-A82 PolarHBondContact O-N 3.47Å; K79-T83 PolarHBondContact O-N 2.93Å; K79-T83 PolarHBondContact O-OG1 2.97Å
80V65.9Low80.3Confident59 Ų5975.5 Ų75.536%0.35841%0.413SS..Hα-helixtrans-59-31.8177.1177.70000111Q76 R77 N78 P101Q76-V80 PolarHBondContact O-N 3.09Å; R77-V80 PolarHBondContact O-N 3.36Å; N78-V80 PolarHBondContact O-N 3.37Å; V80-P101 HydrophobicContact CG1-CG 4.46Å; V80-P101 HydrophobicContact CG2-CG 4.08Å
81N61.4Low80.6Confident144 Ų14480 Ų8077%0.7744%0.437SS*.Hα-helixtrans-80-25.1178-63.6-30.4000113.2N78 K79N78-N81 PolarHBondContact O-N 3.34Å; K79-N81 PolarHBondContact O-N 2.87Å
82A62.2Low81.1Confident86 Ų8678.4 Ų78.471%0.71143%0.425SS*.Hα-helixtrans-100.5-23.4-170.800000114.6K79K79-A82 PolarHBondContact O-N 3.47Å
83T60.9Low81.7Confident90 Ų9079.5 Ų79.555%0.55243%0.428SS*.SBendtrans-141.4136.1-171.920.60000110.9K79 T85K79-T83 PolarHBondContact O-N 2.93Å; K79-T83 PolarHBondContact O-OG1 2.97Å; T83-T85 VanDerWaalsContact C-N 3.26Å; T83-T85 PolarHBondContact O-N 2.85Å
84S69.9Low82.3Confident126 Ų12682.3 Ų82.388%0.88144%0.442SS*.  trans-61.385.5174.5-61.40000110.5
85T74.9Confident82.7Confident28 Ų2885.3 Ų85.317%0.17246%0.458CS..PPolyproline II helixtrans-54.9125.4171.2-58.40000107.6T83 K87 P101 Q102T83-T85 VanDerWaalsContact C-N 3.26Å; T83-T85 PolarHBondContact O-N 2.85Å; T85-K87 PolarHBondContact O-N 2.89Å; T85-P101 HydrophobicContact CG2-CB 4.11Å; T85-Q102 HydrophobicContact CG2-CB 4.07Å
86P87.4Confident83.3Confident57 Ų5784 Ų8437%0.3745%0.448SS..PPolyproline II helixtrans-53.8135.1175.9-25.134.4000109.8Y105P86-Y105 HydrophobicContact CB-CD1 4.06Å; P86-Y105 HydrophobicContact CB-CD2 3.69Å; P86-Y105 HydrophobicContact CB-CE1 3.84Å; P86-Y105 HydrophobicContact CB-CE2 3.48Å; P86-Y105 VanDerWaalsContact CB-CE2 3.48Å; P86-Y105 HydrophobicContact CB-CG 3.98Å; P86-Y105 HydrophobicContact CG-CD1 4.24Å; P86-Y105 HydrophobicContact CG-CE1 3.92Å; P86-Y105 HydrophobicContact CG-CE2 4.44Å
87K90.1Very high84.1Confident193 Ų19383.5 Ų83.584%0.83945%0.45SS*.PPolyproline II helixtrans-78.2138.8177.7-67.6-175.4178.9-177.90109.1T85 S89T85-K87 PolarHBondContact O-N 2.89Å; K87-S89 PolarHBondContact O-N 3.29Å
88V94.7Very high84.9Confident34 Ų3484.5 Ų84.521%0.20646%0.456CS..PPolyproline II helixtrans-49.3134.7167.2175.60000109.6F92 I94 E104 T108V88-F92 HydrophobicContact CG1-CB 3.64Å; V88-F92 HydrophobicContact CG1-CD2 4.07Å; V88-F92 HydrophobicContact CG1-CG 4.17Å; V88-I94 HydrophobicContact CG1-CD1 4.29Å; V88-E104 HydrophobicContact CG2-CB 3.88Å; V88-T108 HydrophobicContact CG1-CG2 4.07Å
89S96.2Very high85.4Confident37 Ų3782.2 Ų82.226%0.25944%0.443SS..PPolyproline II helixtrans-58148177.8177.40000111.1K87 D91 F92K87-S89 PolarHBondContact O-N 3.29Å; S89-D91 PolarHBondContact O-N 2.95Å; S89-D91 VanDerWaalsContact O-N 3.12Å; S89-D91 PolarHBondContact OG-N 2.85Å; S89-D91 PolarHBondContact OG-OD2 2.97Å; S89-F92 PolarHBondContact O-N 2.66Å
90K96.3Very high86.1Confident207 Ų20776.6 Ų76.690%0.942%0.42SS*.THydrogen-bonded Turntrans-65-12.6175.5-62.8-176.5-179.4179.40113.8F92K90-F92 PolarHBondContact O-N 3.28Å
91D96Very high87.2Confident101 Ų10176.6 Ų76.654%0.5442%0.421SS..THydrogen-bonded Turntrans-70-18.4173.4-52.3-43000112.3S89 Y170S89-D91 PolarHBondContact O-N 2.95Å; S89-D91 VanDerWaalsContact O-N 3.12Å; S89-D91 PolarHBondContact OG-N 2.85Å; S89-D91 PolarHBondContact OG-OD2 2.97Å; D91-Y170 HydrophobicContact CB-CD2 4.16Å; D91-Y170 HydrophobicContact CB-CE2 3.79Å
92F97.4Very high88.5Confident12 Ų1272.8 Ų72.85%0.05340%0.398CS..EExtended strand (participates in β ladder)trans-96.9127.8173.5-66.6-78.5000110.4V88 S89 K90 T108 V111 R112 F168 K169 Y170V88-F92 HydrophobicContact CG1-CB 3.64Å; V88-F92 HydrophobicContact CG1-CD2 4.07Å; V88-F92 HydrophobicContact CG1-CG 4.17Å; S89-F92 PolarHBondContact O-N 2.66Å; K90-F92 PolarHBondContact O-N 3.28Å; F92-T108 HydrophobicContact CB-CG2 4.42Å; F92-T108 HydrophobicContact CD1-CG2 3.96Å; F92-T108 HydrophobicContact CD2-CG2 4.25Å; F92-T108 HydrophobicContact CE1-CG2 4.26Å; F92-T108 WeakPolarHBondContact CE2-O 3.48Å; F92-T108 HydrophobicContact CG-CG2 3.97Å; F92-T108 WeakPolarHBondContact CZ-O 3.27Å; F92-V111 HydrophobicContact CE1-CG1 4.36Å; F92-R112 HydrophobicContact CZ-CB 4.2Å; F92-F168 AromaticContact CD1-CD2 3.59Å; F92-F168 HydrophobicContact CD1-CD2 3.59Å; F92-F168 AromaticContact CD1-CE2 3.8Å; F92-F168 HydrophobicContact CD1-CE2 3.8Å; F92-F168 HydrophobicContact CD1-CG 4.45Å; F92-F168 HydrophobicContact CE1-CD2 4.03Å; F92-F168 AromaticContact CE1-CE2 3.74Å; F92-F168 HydrophobicContact CE1-CE2 3.74Å; F92-K169 WeakPolarHBondContact CA-O 3.25Å; F92-Y170 AromaticContact CD1-CD2 3.76Å; F92-Y170 HydrophobicContact CD1-CD2 3.76Å; F92-Y170 HydrophobicContact CD1-CG 4.01Å; F92-Y170 HydrophobicContact CD2-CD2 4.47Å; F92-Y170 HydrophobicContact CE1-CD1 4.32Å; F92-Y170 AromaticContact CE1-CD2 3.46Å; F92-Y170 HydrophobicContact CE1-CD2 3.46Å; F92-Y170 VanDerWaalsContact CE1-CD2 3.46Å; F92-Y170 HydrophobicContact CE1-CE2 4.24Å; F92-Y170 AromaticContact CE1-CG 3.51Å; F92-Y170 HydrophobicContact CE1-CG 3.51Å; F92-Y170 HydrophobicContact CE2-CD2 4.23Å; F92-Y170 HydrophobicContact CE2-CE2 4.35Å; F92-Y170 HydrophobicContact CG-CD2 4.25Å; F92-Y170 AromaticContact CZ-CD2 3.7Å; F92-Y170 HydrophobicContact CZ-CD2 3.7Å; F92-Y170 HydrophobicContact CZ-CE2 4.01Å; F92-Y170 HydrophobicContact CZ-CG 4.04Å
93E97.4Very high89.9Confident115 Ų11568.8 Ų68.854%0.53737%0.365SS..EExtended strand (participates in β ladder)trans-102.3104.7170.5179.4-171.7169.700108.1I95 F168 K169E93-I95 PolarHBondContact O-N 2.8Å; E93-F168 CarbonylContact O-C 3.58Å; E93-F168 WeakPolarHBondContact O-CA 3.28Å; E93-F168 WeakPolarHBondContact O-CB 3.33Å; E93-K169 HydrophobicContact CB-CB 4.23Å; E93-K169 PolarHBondContact N-O 2.74Å; E93-K169 PolarHBondContact O-N 3.34Å
94I97.5Very high91.5Very high63 Ų6366.2 Ų66.232%0.32335%0.347SS..EExtended strand (participates in β ladder)trans-71.1122.4176.1-56-55.5000108.9V88 T108 L166 F168V88-I94 HydrophobicContact CG1-CD1 4.29Å; I94-T108 HydrophobicContact CD1-CG2 4.45Å; I94-L166 HydrophobicContact CD1-CD1 4.33Å; I94-F168 HydrophobicContact CD1-CB 3.74Å; I94-F168 HydrophobicContact CD1-CG 4.48Å
95I97.3Very high92.6Very high70 Ų7063 Ų6336%0.35932%0.316SS..EExtended strand (participates in β ladder)trans-94.4-43.5179.2-60.8163.2000110.1E93 Y154 H167 K169 I174E93-I95 PolarHBondContact O-N 2.8Å; I95-Y154 WeakPolarHBondContact CG2-OH 3.5Å; I95-H167 HydrophobicContact CB-CB 4.08Å; I95-H167 PolarHBondContact N-O 2.77Å; I95-K169 HydrophobicContact CD1-CB 4.34Å; I95-I174 HydrophobicContact CD1-CG2 3.88Å
96L96.1Very high93.5Very high53 Ų5364.3 Ų64.328%0.27732%0.322SS..EExtended strand (participates in β ladder)trans-149.6134.3177.6173.8147.2000108.1K98 F158 A165 H167L96-K98 HydrophobicContact CD2-CG 4.16Å; L96-F158 HydrophobicContact CD2-CZ 4.43Å; L96-A165 HydrophobicContact CD2-CB 4.07Å; L96-H167 HydrophobicContact CB-CB 4.05Å; L96-H167 PolarHBondContact N-O 2.8Å; L96-H167 VanDerWaalsContact N-O 3.1Å; L96-H167 PolarHBondContact O-N 3.03Å
97S95Very high94Very high37 Ų3761.6 Ų61.626%0.25930%0.304SS..EExtended strand (participates in β ladder)trans-137.1135.8168.3-177.60000110.8M99 E104S97-M99 PolarHBondContact OG-N 2.96Å; S97-E104 WeakPolarHBondContact CB-OE1 3.19Å; S97-E104 WeakPolarHBondContact OG-CG 3.42Å; S97-E104 PolarHBondContact OG-OE1 2.82Å
98K93.7Very high94.4Very high75 Ų7552.4 Ų52.433%0.32626%0.264SS..  trans-113.9-8.5167.9-60.3-57.8-162.2155.60112E3 L96 F163 A165E3-K98 WeakPolarHBondContact OE2-CD 3.43Å; E3-K98 WeakPolarHBondContact OE2-CE 3.34Å; E3-K98 IonicContact OE2-NZ 2.65Å; E3-K98 PolarHBondContact OE2-NZ 2.93Å; L96-K98 HydrophobicContact CD2-CG 4.16Å; K98-F163 WeakPolarHBondContact O-CA 3.18Å; K98-F163 WeakPolarHBondContact O-CB 3.21Å; K98-A165 HydrophobicContact CB-CB 4.23Å; K98-A165 HydrophobicContact CG-CB 4.02Å; K98-A165 PolarHBondContact N-O 3.02Å
99M91.6Very high94.5Very high16 Ų1652.7 Ų52.78%0.07926%0.263CS..SBendtrans-83.9170.1-174-55.2-165.373.400111.3S97 A103 E104 I107 Y141 W145 F163 L166S97-M99 PolarHBondContact OG-N 2.96Å; M99-A103 HydrophobicContact CB-CB 4.1Å; M99-A103 HydrophobicContact CE-CB 3.77Å; M99-E104 HydrophobicContact CB-CG 4.48Å; M99-I107 HydrophobicContact CE-CD1 3.75Å; M99-I107 HydrophobicContact SD-CD1 3.42Å; M99-I107 WeakPolarHBondContact SD-CD1 3.42Å; M99-Y141 HydrophobicContact CE-CD1 4.24Å; M99-Y141 HydrophobicContact CE-CE1 4.36Å; M99-Y141 HydrophobicContact CE-CG 4.35Å; M99-W145 HydrophobicContact CE-CH2 3.72Å; M99-W145 HydrophobicContact CE-CZ2 4.13Å; M99-W145 HydrophobicContact SD-CH2 3.8Å; M99-W145 HydrophobicContact SD-CZ3 4.46Å; M99-F163 WeakPolarHBondContact CG-O 3.3Å; M99-L166 HydrophobicContact CG-CB 4.2Å; M99-L166 HydrophobicContact SD-CB 3.84Å; M99-L166 HydrophobicContact SD-CD2 4.32Å
100S86.7Confident94.6Very high6 Ų652.9 Ų52.94%0.04226%0.26CS..  trans-70.1152.5170.768.30000110.9Q76 Q102 A103 E104Q76-S100 PolarHBondContact OE1-OG 3.44Å; S100-Q102 PolarHBondContact O-N 3.36Å; S100-Q102 VanDerWaalsContact O-N 3.14Å; S100-A103 PolarHBondContact O-N 3.3Å; S100-A103 PolarHBondContact OG-N 3.3Å; S100-E104 PolarHBondContact O-N 3.47Å
101P89.1Confident94.7Very high58 Ų5843 Ų4338%0.37722%0.217SC..Hα-helixtrans-55.6-32.3177.9-27.935.3000114.1V80 T85 Y105V80-P101 HydrophobicContact CG1-CG 4.46Å; V80-P101 HydrophobicContact CG2-CG 4.08Å; T85-P101 HydrophobicContact CG2-CB 4.11Å; P101-Y105 PolarHBondContact O-N 3.28Å; P101-Y105 VanDerWaalsContact O-N 3.09Å
102Q88.1Confident94.6Very high65 Ų6541.3 Ų41.330%0.30420%0.203SC..Hα-helixtrans-67.2-45.1176.2-176.863.75700111T85 S100 E104 Y105 D106T85-Q102 HydrophobicContact CG2-CB 4.07Å; S100-Q102 PolarHBondContact O-N 3.36Å; S100-Q102 VanDerWaalsContact O-N 3.14Å; Q102-E104 VanDerWaalsContact C-N 3.33Å; Q102-E104 PolarHBondContact O-N 2.9Å; Q102-Y105 WeakPolarHBondContact O-CB 3.48Å; Q102-Y105 PolarHBondContact O-N 3.36Å; Q102-D106 PolarHBondContact NE2-OD1 3.26Å; Q102-D106 PolarHBondContact NE2-OD2 3.32Å; Q102-D106 PolarHBondContact O-N 3.43Å
103A91.2Very high94.6Very high2 Ų247.5 Ų47.52%0.01723%0.232CC..Hα-helixtrans-66.4-36.2177.900000112.1M99 S100 Y105 D106 I107 Y141M99-A103 HydrophobicContact CB-CB 4.1Å; M99-A103 HydrophobicContact CE-CB 3.77Å; S100-A103 PolarHBondContact O-N 3.3Å; S100-A103 PolarHBondContact OG-N 3.3Å; A103-Y105 VanDerWaalsContact C-N 3.33Å; A103-Y105 PolarHBondContact O-N 3.02Å; A103-D106 PolarHBondContact O-N 2.92Å; A103-I107 WeakPolarHBondContact O-CB 3.4Å; A103-I107 WeakPolarHBondContact O-CD1 3.33Å; A103-I107 WeakPolarHBondContact O-CG1 3.48Å; A103-I107 PolarHBondContact O-N 3.5Å; A103-Y141 HydrophobicContact CB-CE1 3.95Å
104E94.4Very high94.5Very high35 Ų3544 Ų4416%0.16422%0.217CC..Hα-helixtrans-57.9-46.9171.4-68177.9-154.900111.6V88 S97 M99 S100 Q102 T108 L166V88-E104 HydrophobicContact CG2-CB 3.88Å; S97-E104 WeakPolarHBondContact CB-OE1 3.19Å; S97-E104 WeakPolarHBondContact OG-CG 3.42Å; S97-E104 PolarHBondContact OG-OE1 2.82Å; M99-E104 HydrophobicContact CB-CG 4.48Å; S100-E104 PolarHBondContact O-N 3.47Å; Q102-E104 VanDerWaalsContact C-N 3.33Å; Q102-E104 PolarHBondContact O-N 2.9Å; E104-T108 WeakPolarHBondContact O-CB 3.43Å; E104-T108 VanDerWaalsContact O-CG2 3.29Å; E104-T108 WeakPolarHBondContact O-CG2 3.33Å; E104-T108 PolarHBondContact O-N 2.78Å; E104-T108 PolarHBondContact O-OG1 2.94Å; E104-L166 HydrophobicContact CG-CD1 4.09Å
105Y94.1Very high94.4Very high60 Ų6041.2 Ų41.224%0.23520%0.203CC..Hα-helixtrans-60.2-55.9176.2176.4-102.1000111.1P86 P101 Q102 A103 I107 T108 E109P86-Y105 HydrophobicContact CB-CD1 4.06Å; P86-Y105 HydrophobicContact CB-CD2 3.69Å; P86-Y105 HydrophobicContact CB-CE1 3.84Å; P86-Y105 HydrophobicContact CB-CE2 3.48Å; P86-Y105 VanDerWaalsContact CB-CE2 3.48Å; P86-Y105 HydrophobicContact CB-CG 3.98Å; P86-Y105 HydrophobicContact CG-CD1 4.24Å; P86-Y105 HydrophobicContact CG-CE1 3.92Å; P86-Y105 HydrophobicContact CG-CE2 4.44Å; P101-Y105 PolarHBondContact O-N 3.28Å; P101-Y105 VanDerWaalsContact O-N 3.09Å; Q102-Y105 WeakPolarHBondContact O-CB 3.48Å; Q102-Y105 PolarHBondContact O-N 3.36Å; A103-Y105 VanDerWaalsContact C-N 3.33Å; A103-Y105 PolarHBondContact O-N 3.02Å; Y105-I107 VanDerWaalsContact C-N 3.3Å; Y105-I107 PolarHBondContact O-N 2.97Å; Y105-T108 PolarHBondContact O-N 2.94Å; Y105-T108 VanDerWaalsContact O-N 3.16Å; Y105-T108 PolarHBondContact O-OG1 2.9Å; Y105-E109 HydrophobicContact CD1-CG 4.26Å; Y105-E109 HydrophobicContact CD2-CG 3.89Å; Y105-E109 HydrophobicContact CE1-CG 3.91Å; Y105-E109 HydrophobicContact CE2-CG 3.47Å; Y105-E109 VanDerWaalsContact CE2-CG 3.47Å; Y105-E109 HydrophobicContact CG-CG 4.26Å; Y105-E109 VanDerWaalsContact CZ-CG 3.49Å; Y105-E109 VanDerWaalsContact O-CG 3.31Å; Y105-E109 WeakPolarHBondContact O-CG 3.11Å; Y105-E109 PolarHBondContact O-N 3.27Å
106D94.4Very high94.1Very high54 Ų5439.9 Ų39.929%0.28921%0.206SC..Hα-helixtrans-57.3-42.8-176.7-61.7-22.5000112.1Q102 A103 H110Q102-D106 PolarHBondContact NE2-OD1 3.26Å; Q102-D106 PolarHBondContact NE2-OD2 3.32Å; Q102-D106 PolarHBondContact O-N 3.43Å; A103-D106 PolarHBondContact O-N 2.92Å; D106-H110 WeakPolarHBondContact O-CB 3.24Å; D106-H110 PolarHBondContact O-N 3.47Å
107I97.7Very high93.7Very high0 Ų045.3 Ų45.30%024%0.235CC..Hα-helixtrans-68.6-43.8179.3-66.8166.3000111.5M99 A103 Y105 H110 V111 Y136 L137 Y141 L166 F168 L177M99-I107 HydrophobicContact CE-CD1 3.75Å; M99-I107 HydrophobicContact SD-CD1 3.42Å; M99-I107 WeakPolarHBondContact SD-CD1 3.42Å; A103-I107 WeakPolarHBondContact O-CB 3.4Å; A103-I107 WeakPolarHBondContact O-CD1 3.33Å; A103-I107 WeakPolarHBondContact O-CG1 3.48Å; A103-I107 PolarHBondContact O-N 3.5Å; Y105-I107 VanDerWaalsContact C-N 3.3Å; Y105-I107 PolarHBondContact O-N 2.97Å; I107-H110 PolarHBondContact O-N 3.39Å; I107-V111 WeakPolarHBondContact O-CG2 3.34Å; I107-V111 PolarHBondContact O-N 2.84Å; I107-Y136 HydrophobicContact CG1-CE1 4.24Å; I107-L137 HydrophobicContact CD1-CD2 3.7Å; I107-L137 HydrophobicContact CG1-CD2 3.81Å; I107-L137 HydrophobicContact CG2-CD2 4.46Å; I107-Y141 HydrophobicContact CD1-CD2 4.47Å; I107-Y141 HydrophobicContact CD1-CE2 3.84Å; I107-Y141 HydrophobicContact CG1-CE2 3.74Å; I107-L166 HydrophobicContact CB-CD2 3.99Å; I107-L166 HydrophobicContact CD1-CD2 3.87Å; I107-L166 HydrophobicContact CG2-CD2 3.86Å; I107-F168 HydrophobicContact CG2-CE1 4.19Å; I107-L177 HydrophobicContact CG2-CD1 3.62Å
108T97.8Very high93.2Very high0 Ų047.3 Ų47.30%024%0.243CC..Hα-helixtrans-68.9-37.9-178.852.10000111.9V88 F92 I94 E104 Y105 V111 R112 F168V88-T108 HydrophobicContact CG1-CG2 4.07Å; F92-T108 HydrophobicContact CB-CG2 4.42Å; F92-T108 HydrophobicContact CD1-CG2 3.96Å; F92-T108 HydrophobicContact CD2-CG2 4.25Å; F92-T108 HydrophobicContact CE1-CG2 4.26Å; F92-T108 WeakPolarHBondContact CE2-O 3.48Å; F92-T108 HydrophobicContact CG-CG2 3.97Å; F92-T108 WeakPolarHBondContact CZ-O 3.27Å; I94-T108 HydrophobicContact CD1-CG2 4.45Å; E104-T108 WeakPolarHBondContact O-CB 3.43Å; E104-T108 VanDerWaalsContact O-CG2 3.29Å; E104-T108 WeakPolarHBondContact O-CG2 3.33Å; E104-T108 PolarHBondContact O-N 2.78Å; E104-T108 PolarHBondContact O-OG1 2.94Å; Y105-T108 PolarHBondContact O-N 2.94Å; Y105-T108 VanDerWaalsContact O-N 3.16Å; Y105-T108 PolarHBondContact O-OG1 2.9Å; T108-V111 PolarHBondContact O-N 3.36Å; T108-R112 PolarHBondContact O-N 3.05Å; T108-F168 HydrophobicContact CG2-CD1 4.17Å; T108-F168 HydrophobicContact CG2-CD2 4.48Å; T108-F168 HydrophobicContact CG2-CE1 4.12Å; T108-F168 HydrophobicContact CG2-CE2 4.43Å; T108-F168 HydrophobicContact CG2-CG 4.35Å; T108-F168 HydrophobicContact CG2-CZ 4.24Å
109E97Very high92.4Very high40 Ų4052.9 Ų52.919%0.18727%0.267CS..Hα-helixtrans-62.9-45.1171.7-63.4-58.5104.700111.3Y105 V111 R112 E113Y105-E109 HydrophobicContact CD1-CG 4.26Å; Y105-E109 HydrophobicContact CD2-CG 3.89Å; Y105-E109 HydrophobicContact CE1-CG 3.91Å; Y105-E109 HydrophobicContact CE2-CG 3.47Å; Y105-E109 VanDerWaalsContact CE2-CG 3.47Å; Y105-E109 HydrophobicContact CG-CG 4.26Å; Y105-E109 VanDerWaalsContact CZ-CG 3.49Å; Y105-E109 VanDerWaalsContact O-CG 3.31Å; Y105-E109 WeakPolarHBondContact O-CG 3.11Å; Y105-E109 PolarHBondContact O-N 3.27Å; E109-V111 VanDerWaalsContact C-N 3.3Å; E109-V111 PolarHBondContact O-N 3.43Å; E109-R112 WeakPolarHBondContact O-CB 3.37Å; E109-R112 PolarHBondContact O-N 3.4Å; E109-R112 IonicContact OE1-CZ 3.11Å; E109-R112 IonicContact OE1-NH1 2.63Å; E109-R112 PolarHBondContact OE1-NH1 2.96Å; E109-R112 IonicContact OE1-NH2 2.68Å; E109-R112 PolarHBondContact OE1-NH2 3.41Å; E109-R112 IonicContact OE2-CZ 3.73Å; E109-R112 IonicContact OE2-NH1 2.7Å; E109-R112 PolarHBondContact OE2-NH1 2.86Å; E109-R112 IonicContact OE2-NH2 3.97Å; E109-E113 WeakPolarHBondContact O-CG 3.46Å; E109-E113 PolarHBondContact O-N 2.72Å
110H98Very high92.1Very high41 Ų4159.6 Ų59.619%0.1930%0.298CS..Hα-helixtrans-61.7-38177.2-166.765.3000112.4D106 I107 E113 L114 Y136D106-H110 WeakPolarHBondContact O-CB 3.24Å; D106-H110 PolarHBondContact O-N 3.47Å; I107-H110 PolarHBondContact O-N 3.39Å; H110-E113 IonicContact ND1-OE2 2.81Å; H110-E113 PolarHBondContact O-N 3.23Å; H110-L114 WeakPolarHBondContact O-CG 3.35Å; H110-L114 PolarHBondContact O-N 2.87Å; H110-Y136 HydrophobicContact CB-CD1 4.36Å; H110-Y136 HydrophobicContact CB-CE1 4.01Å; H110-Y136 AromaticContact CD2-CD1 3.43Å; H110-Y136 VanDerWaalsContact CD2-CD1 3.43Å; H110-Y136 WeakPolarHBondContact CD2-CD1 3.21Å; H110-Y136 AromaticContact CD2-CD2 3.92Å; H110-Y136 AromaticContact CD2-CE1 3.97Å; H110-Y136 AromaticContact CD2-CG 3.39Å; H110-Y136 AromaticContact CE1-CD2 3.97Å; H110-Y136 AromaticContact CG-CD1 3.94Å; H110-Y136 AromaticContact CG-CG 4Å; H110-Y136 WeakPolarHBondContact NE2-CB 3.46Å; H110-Y136 AromaticContact NE2-CD2 3.82Å; H110-Y136 AromaticContact NE2-CG 3.49Å
111V97.5Very high92Very high0 Ų059.8 Ų59.80%030%0.298CS..Hα-helixtrans-64.6-40173.2167.70000111.9F92 I107 T108 E109 E113 L114 I115 L133 F168 F175F92-V111 HydrophobicContact CE1-CG1 4.36Å; I107-V111 WeakPolarHBondContact O-CG2 3.34Å; I107-V111 PolarHBondContact O-N 2.84Å; T108-V111 PolarHBondContact O-N 3.36Å; E109-V111 VanDerWaalsContact C-N 3.3Å; E109-V111 PolarHBondContact O-N 3.43Å; V111-E113 VanDerWaalsContact C-N 3.3Å; V111-E113 PolarHBondContact O-N 3.42Å; V111-L114 PolarHBondContact O-N 3.23Å; V111-I115 HydrophobicContact CG1-CD1 3.61Å; V111-I115 HydrophobicContact CG1-CG1 4.35Å; V111-I115 VanDerWaalsContact O-CG1 3.28Å; V111-I115 WeakPolarHBondContact O-CG1 3.19Å; V111-I115 PolarHBondContact O-N 3.42Å; V111-L133 HydrophobicContact CG2-CD1 3.75Å; V111-L133 HydrophobicContact CG2-CD2 3.63Å; V111-L133 HydrophobicContact CG2-CG 4.32Å; V111-F168 HydrophobicContact CB-CE2 4.46Å; V111-F168 HydrophobicContact CB-CZ 4.23Å; V111-F168 HydrophobicContact CG1-CE2 4.14Å; V111-F168 HydrophobicContact CG1-CZ 4.32Å; V111-F168 HydrophobicContact CG2-CZ 3.87Å; V111-F175 HydrophobicContact CG1-CD1 4.28Å; V111-F175 HydrophobicContact CG1-CE1 3.76Å; V111-F175 HydrophobicContact CG1-CE2 4.16Å; V111-F175 HydrophobicContact CG1-CZ 3.73Å; V111-F175 HydrophobicContact CG2-CD1 4.36Å; V111-F175 HydrophobicContact CG2-CE1 4.35Å
112R95.9Very high91.9Very high65 Ų6564.8 Ų64.825%0.24531%0.314CS..Hα-helixtrans-60.3-42.9174.2-164.3-173.4-57.9119.95.3111.2F92 T108 E109 I115 G116F92-R112 HydrophobicContact CZ-CB 4.2Å; T108-R112 PolarHBondContact O-N 3.05Å; E109-R112 WeakPolarHBondContact O-CB 3.37Å; E109-R112 PolarHBondContact O-N 3.4Å; E109-R112 IonicContact OE1-CZ 3.11Å; E109-R112 IonicContact OE1-NH1 2.63Å; E109-R112 PolarHBondContact OE1-NH1 2.96Å; E109-R112 IonicContact OE1-NH2 2.68Å; E109-R112 PolarHBondContact OE1-NH2 3.41Å; E109-R112 IonicContact OE2-CZ 3.73Å; E109-R112 IonicContact OE2-NH1 2.7Å; E109-R112 PolarHBondContact OE2-NH1 2.86Å; E109-R112 IonicContact OE2-NH2 3.97Å; R112-I115 PolarHBondContact O-N 3.06Å; R112-G116 PolarHBondContact O-N 2.76Å
113E96.3Very high91.9Very high143 Ų14369.1 Ų69.167%0.66833%0.334SS*.Hα-helixtrans-63-44176.7-69.1175173.200112.4E109 H110 V111 I115 G116E109-E113 WeakPolarHBondContact O-CG 3.46Å; E109-E113 PolarHBondContact O-N 2.72Å; H110-E113 IonicContact ND1-OE2 2.81Å; H110-E113 PolarHBondContact O-N 3.23Å; V111-E113 VanDerWaalsContact C-N 3.3Å; V111-E113 PolarHBondContact O-N 3.42Å; E113-I115 VanDerWaalsContact C-N 3.31Å; E113-I115 PolarHBondContact O-N 2.93Å; E113-G116 PolarHBondContact O-N 2.96Å
114L96.1Very high91.9Very high40 Ų4073.4 Ų73.421%0.20936%0.362CS..Hα-helixtrans-64.2-34.6178.6-73.5176.6000112.8H110 V111 I129 K132 L133H110-L114 WeakPolarHBondContact O-CG 3.35Å; H110-L114 PolarHBondContact O-N 2.87Å; V111-L114 PolarHBondContact O-N 3.23Å; L114-I129 HydrophobicContact CB-CG2 4.36Å; L114-K132 HydrophobicContact CD1-CB 4.18Å; L114-K132 HydrophobicContact CD2-CB 3.73Å; L114-K132 HydrophobicContact CD2-CD 3.8Å; L114-K132 HydrophobicContact CD2-CG 4.39Å; L114-L133 HydrophobicContact CD1-CB 3.92Å; L114-L133 HydrophobicContact CD1-CD1 4.46Å
115I94.9Very high91.7Very high6 Ų675 Ų753%0.03137%0.37CS..Hα-helixtrans-79.8-36.7177.9-65.6170.2000110.8V111 R112 E113 D117 L118 F121 I129 Y170 F175V111-I115 HydrophobicContact CG1-CD1 3.61Å; V111-I115 HydrophobicContact CG1-CG1 4.35Å; V111-I115 VanDerWaalsContact O-CG1 3.28Å; V111-I115 WeakPolarHBondContact O-CG1 3.19Å; V111-I115 PolarHBondContact O-N 3.42Å; R112-I115 PolarHBondContact O-N 3.06Å; E113-I115 VanDerWaalsContact C-N 3.31Å; E113-I115 PolarHBondContact O-N 2.93Å; I115-D117 PolarHBondContact O-N 3.38Å; I115-L118 HydrophobicContact CG2-CB 3.99Å; I115-L118 WeakPolarHBondContact CG2-O 3.47Å; I115-L118 VanDerWaalsContact O-CB 3.26Å; I115-L118 WeakPolarHBondContact O-CB 3.18Å; I115-L118 WeakPolarHBondContact O-CD1 3.43Å; I115-L118 WeakPolarHBondContact O-CG 3.33Å; I115-L118 PolarHBondContact O-N 3.06Å; I115-F121 HydrophobicContact CD1-CE1 4.13Å; I115-F121 HydrophobicContact CG1-CE1 4.18Å; I115-F121 HydrophobicContact CG2-CD1 4.48Å; I115-F121 HydrophobicContact CG2-CE1 4.47Å; I115-I129 HydrophobicContact CG1-CD1 4.19Å; I115-Y170 HydrophobicContact CB-CE1 4.46Å; I115-Y170 HydrophobicContact CD1-CD1 3.39Å; I115-Y170 HydrophobicContact CD1-CE1 3.71Å; I115-Y170 HydrophobicContact CG2-CE1 4.19Å; I115-F175 HydrophobicContact CD1-CE2 4.38Å; I115-F175 HydrophobicContact CD1-CZ 3.84Å
116G91.6Very high91.7Very high41 Ų4173.1 Ų73.142%0.42336%0.364SS..THydrogen-bonded Turntrans56.6-129.4-17600000111.7R112 E113 L118R112-G116 PolarHBondContact O-N 2.76Å; E113-G116 PolarHBondContact O-N 2.96Å; G116-L118 VanDerWaalsContact C-N 3.3Å; G116-L118 PolarHBondContact O-N 3.17Å
117D86.4Confident91.7Very high168 Ų16877.3 Ų77.390%0.89838%0.38SS*.THydrogen-bonded Turntrans-88.38.9-178.8-63.2-42.2000113.9I115 K119I115-D117 PolarHBondContact O-N 3.38Å; D117-K119 PolarHBondContact O-N 2.53Å
118L85Confident91.6Very high79 Ų7982.1 Ų82.141%0.41440%0.402SS..  trans-69.1106.6179.8-64.6172.9000110.5I115 G116 F121I115-L118 HydrophobicContact CG2-CB 3.99Å; I115-L118 WeakPolarHBondContact CG2-O 3.47Å; I115-L118 VanDerWaalsContact O-CB 3.26Å; I115-L118 WeakPolarHBondContact O-CB 3.18Å; I115-L118 WeakPolarHBondContact O-CD1 3.43Å; I115-L118 WeakPolarHBondContact O-CG 3.33Å; I115-L118 PolarHBondContact O-N 3.06Å; G116-L118 VanDerWaalsContact C-N 3.3Å; G116-L118 PolarHBondContact O-N 3.17Å; L118-F121 HydrophobicContact CD1-CB 4.22Å
119K77.8Confident91.6Very high192 Ų19282.5 Ų82.584%0.83540%0.404SS*.SBendtrans-69.6-37.8173.8-65-173.2179.2-177.10112.6D117D117-K119 PolarHBondContact O-N 2.53Å
120E83.5Confident91.6Very high156 Ų15681.7 Ų81.773%0.72940%0.403SS*.SBendtrans-143.2140.7174.1-68-176.6178.900107.8
121F86.2Confident91.6Very high11 Ų1184.1 Ų84.15%0.04842%0.417CS..  trans-128.4142.2178.857-102.7000110.5I115 L118 E125 T126 I129 I149 Y173 F175I115-F121 HydrophobicContact CD1-CE1 4.13Å; I115-F121 HydrophobicContact CG1-CE1 4.18Å; I115-F121 HydrophobicContact CG2-CD1 4.48Å; I115-F121 HydrophobicContact CG2-CE1 4.47Å; L118-F121 HydrophobicContact CD1-CB 4.22Å; F121-E125 HydrophobicContact CB-CB 3.7Å; F121-E125 HydrophobicContact CB-CG 4.37Å; F121-T126 VanDerWaalsContact CD2-OG1 3.27Å; F121-T126 WeakPolarHBondContact CD2-OG1 3.2Å; F121-T126 HydrophobicContact CE2-CG2 4.25Å; F121-T126 WeakPolarHBondContact CE2-OG1 3.49Å; F121-I129 HydrophobicContact CD1-CD1 4.08Å; F121-I129 HydrophobicContact CD2-CD1 4.02Å; F121-I129 HydrophobicContact CE1-CD1 4.2Å; F121-I129 HydrophobicContact CE2-CD1 4.14Å; F121-I129 HydrophobicContact CG-CD1 3.99Å; F121-I129 HydrophobicContact CZ-CD1 4.23Å; F121-I149 HydrophobicContact CE2-CG2 3.99Å; F121-I149 HydrophobicContact CZ-CG2 4.02Å; F121-Y173 HydrophobicContact CD1-CD2 4.02Å; F121-Y173 HydrophobicContact CD1-CE1 4.49Å; F121-Y173 AromaticContact CD1-CE2 3.52Å; F121-Y173 HydrophobicContact CD1-CE2 3.52Å; F121-Y173 AromaticContact CD1-CZ 3.79Å; F121-Y173 HydrophobicContact CD2-CD1 4.49Å; F121-Y173 AromaticContact CD2-CE1 3.93Å; F121-Y173 HydrophobicContact CD2-CE1 3.93Å; F121-Y173 HydrophobicContact CD2-CE2 4.41Å; F121-Y173 AromaticContact CD2-CZ 3.9Å; F121-Y173 HydrophobicContact CE1-CD1 4.17Å; F121-Y173 AromaticContact CE1-CD2 3.24Å; F121-Y173 HydrophobicContact CE1-CD2 3.24Å; F121-Y173 HydrophobicContact CE1-CE1 4.16Å; F121-Y173 AromaticContact CE1-CE2 3.25Å; F121-Y173 HydrophobicContact CE1-CE2 3.25Å; F121-Y173 AromaticContact CE1-CG 3.74Å; F121-Y173 HydrophobicContact CE1-CG 3.74Å; F121-Y173 AromaticContact CE1-CZ 3.73Å; F121-Y173 AromaticContact CE2-CD1 3.67Å; F121-Y173 HydrophobicContact CE2-CD1 3.67Å; F121-Y173 HydrophobicContact CE2-CD2 4.27Å; F121-Y173 AromaticContact CE2-CE1 3.55Å; F121-Y173 HydrophobicContact CE2-CE1 3.55Å; F121-Y173 HydrophobicContact CE2-CE2 4.18Å; F121-Y173 HydrophobicContact CE2-CG 4.02Å; F121-Y173 AromaticContact CE2-CZ 3.83Å; F121-Y173 HydrophobicContact CG-CE1 4.38Å; F121-Y173 HydrophobicContact CG-CE2 4.11Å; F121-Y173 AromaticContact CG-CZ 3.87Å; F121-Y173 AromaticContact CZ-CD1 3.48Å; F121-Y173 HydrophobicContact CZ-CD1 3.48Å; F121-Y173 VanDerWaalsContact CZ-CD1 3.48Å; F121-Y173 AromaticContact CZ-CD2 3.39Å; F121-Y173 HydrophobicContact CZ-CD2 3.39Å; F121-Y173 AromaticContact CZ-CE1 3.68Å; F121-Y173 HydrophobicContact CZ-CE1 3.68Å; F121-Y173 AromaticContact CZ-CE2 3.62Å; F121-Y173 HydrophobicContact CZ-CE2 3.62Å; F121-Y173 AromaticContact CZ-CG 3.32Å; F121-Y173 HydrophobicContact CZ-CG 3.32Å; F121-Y173 AromaticContact CZ-CZ 3.75Å; F121-Y173 PolarHBondContact N-OH 2.9Å; F121-Y173 PolarHBondContact O-OH 2.98Å; F121-F175 HydrophobicContact CZ-CZ 4.31Å
122K86.8Confident91.6Very high163 Ų16388.7 Ų88.771%0.70944%0.437SS*.  trans-94.2-178.8-176.6-59.3178.3-178.5174.10109.6P124 E125 T126K122-P124 VanDerWaalsContact C-CD 3.46Å; K122-E125 VanDerWaalsContact C-OE2 3.27Å; K122-E125 WeakPolarHBondContact CA-OE2 3.44Å; K122-E125 VanDerWaalsContact CB-OE2 3.28Å; K122-E125 WeakPolarHBondContact CB-OE2 3.33Å; K122-E125 PolarHBondContact N-OE2 2.94Å; K122-E125 PolarHBondContact O-N 3.38Å; K122-E125 VanDerWaalsContact O-N 3.16Å; K122-E125 VanDerWaalsContact O-OE2 3.09Å; K122-T126 PolarHBondContact O-N 2.87Å; K122-T126 PolarHBondContact O-OG1 3.49Å
123Q87.4Confident91.8Very high155 Ų15585.6 Ų85.672%0.72443%0.425SS*.Hα-helixtrans-51-43.5-177.2-75.1-69.3-20.200115.1T126 K127Q123-T126 PolarHBondContact O-N 2.86Å; Q123-K127 WeakPolarHBondContact O-CB 3.49Å; Q123-K127 PolarHBondContact O-N 3Å
124P90.3Very high91.9Very high93 Ų9381.2 Ų81.260%0.60440%0.404SS*.Hα-helixtrans-60.5-47.1177.4-23.435000112.6K122 K127 E128K122-P124 VanDerWaalsContact C-CD 3.46Å; P124-K127 PolarHBondContact O-N 3.35Å; P124-E128 PolarHBondContact O-N 2.96Å
125E92.2Very high92Very high69 Ų6984.6 Ų84.632%0.32242%0.419SS..Hα-helixtrans-67.7-41.4178.7-61.584.7178.500111.2F121 K122 K127 E128 I129F121-E125 HydrophobicContact CB-CB 3.7Å; F121-E125 HydrophobicContact CB-CG 4.37Å; K122-E125 VanDerWaalsContact C-OE2 3.27Å; K122-E125 WeakPolarHBondContact CA-OE2 3.44Å; K122-E125 VanDerWaalsContact CB-OE2 3.28Å; K122-E125 WeakPolarHBondContact CB-OE2 3.33Å; K122-E125 PolarHBondContact N-OE2 2.94Å; K122-E125 PolarHBondContact O-N 3.38Å; K122-E125 VanDerWaalsContact O-N 3.16Å; K122-E125 VanDerWaalsContact O-OE2 3.09Å; E125-K127 VanDerWaalsContact C-N 3.27Å; E125-K127 PolarHBondContact O-N 3.33Å; E125-E128 PolarHBondContact O-N 3.44Å; E125-I129 WeakPolarHBondContact O-CB 3.3Å; E125-I129 VanDerWaalsContact O-CG1 3.25Å; E125-I129 WeakPolarHBondContact O-CG1 3.48Å; E125-I129 PolarHBondContact O-N 2.91Å
126T92.9Very high92.1Very high19 Ų1986.5 Ų86.512%0.11743%0.426CS..Hα-helixtrans-55.2-45.2174.1-55.80000111.1F121 K122 Q123 S130 I149F121-T126 VanDerWaalsContact CD2-OG1 3.27Å; F121-T126 WeakPolarHBondContact CD2-OG1 3.2Å; F121-T126 HydrophobicContact CE2-CG2 4.25Å; F121-T126 WeakPolarHBondContact CE2-OG1 3.49Å; K122-T126 PolarHBondContact O-N 2.87Å; K122-T126 PolarHBondContact O-OG1 3.49Å; Q123-T126 PolarHBondContact O-N 2.86Å; T126-S130 VanDerWaalsContact O-CB 3.24Å; T126-S130 WeakPolarHBondContact O-CB 3.24Å; T126-S130 PolarHBondContact O-N 3.35Å; T126-I149 HydrophobicContact CG2-CB 3.82Å; T126-I149 HydrophobicContact CG2-CG2 4.03Å
127K95Very high92.4Very high142 Ų14284.6 Ų84.662%0.61741%0.406SS*.Hα-helixtrans-65.8-41.8179.5-175.8178.9179.5-178.60111.5Q123 P124 E125 N131Q123-K127 WeakPolarHBondContact O-CB 3.49Å; Q123-K127 PolarHBondContact O-N 3Å; P124-K127 PolarHBondContact O-N 3.35Å; E125-K127 VanDerWaalsContact C-N 3.27Å; E125-K127 PolarHBondContact O-N 3.33Å; K127-N131 WeakPolarHBondContact O-CB 3.42Å; K127-N131 VanDerWaalsContact O-CG 3.25Å; K127-N131 PolarHBondContact O-N 3.25Å; K127-N131 PolarHBondContact O-ND2 3.49Å
128E95.8Very high92.9Very high102 Ų10278.5 Ų78.548%0.47737%0.373SS..Hα-helixtrans-64.4-47.7177.5-171.4179.316500111.8P124 E125 S130 N131 K132P124-E128 PolarHBondContact O-N 2.96Å; E125-E128 PolarHBondContact O-N 3.44Å; E128-S130 PolarHBondContact O-N 2.84Å; E128-N131 PolarHBondContact O-N 3.46Å; E128-K132 HydrophobicContact CG-CD 4.16Å; E128-K132 WeakPolarHBondContact O-CB 3.19Å; E128-K132 WeakPolarHBondContact O-CG 3.38Å; E128-K132 PolarHBondContact O-N 3.01Å; E128-K132 VanDerWaalsContact OE1-CE 3.3Å; E128-K132 WeakPolarHBondContact OE1-CE 3.44Å; E128-K132 IonicContact OE1-NZ 3.05Å; E128-K132 PolarHBondContact OE1-NZ 3.22Å
129I97.1Very high93.4Very high7 Ų781.3 Ų81.34%0.03639%0.385CS..Hα-helixtrans-60.6-46.4177.4-65.4162.4000110.1L114 I115 F121 E125 N131 K132 L133 I149 F175L114-I129 HydrophobicContact CB-CG2 4.36Å; I115-I129 HydrophobicContact CG1-CD1 4.19Å; F121-I129 HydrophobicContact CD1-CD1 4.08Å; F121-I129 HydrophobicContact CD2-CD1 4.02Å; F121-I129 HydrophobicContact CE1-CD1 4.2Å; F121-I129 HydrophobicContact CE2-CD1 4.14Å; F121-I129 HydrophobicContact CG-CD1 3.99Å; F121-I129 HydrophobicContact CZ-CD1 4.23Å; E125-I129 WeakPolarHBondContact O-CB 3.3Å; E125-I129 VanDerWaalsContact O-CG1 3.25Å; E125-I129 WeakPolarHBondContact O-CG1 3.48Å; E125-I129 PolarHBondContact O-N 2.91Å; I129-N131 PolarHBondContact O-N 3.49Å; I129-K132 PolarHBondContact O-N 2.89Å; I129-L133 WeakPolarHBondContact O-CB 3.47Å; I129-L133 PolarHBondContact O-N 2.93Å; I129-I149 HydrophobicContact CB-CD1 4.08Å; I129-I149 HydrophobicContact CG2-CD1 3.66Å; I129-F175 HydrophobicContact CG2-CE1 4.27Å
130S97.4Very high94.1Very high24 Ų2475.6 Ų75.617%0.16837%0.366CS..Hα-helixtrans-58.3-45.3177.7170.50000112T126 E128 K134 V147T126-S130 VanDerWaalsContact O-CB 3.24Å; T126-S130 WeakPolarHBondContact O-CB 3.24Å; T126-S130 PolarHBondContact O-N 3.35Å; E128-S130 PolarHBondContact O-N 2.84Å; S130-K134 WeakPolarHBondContact O-CB 3.41Å; S130-K134 PolarHBondContact O-N 2.97Å; S130-V147 PolarHBondContact OG-O 3.45Å
131N98Very high94.5Very high91 Ų9169.5 Ų69.549%0.48734%0.336SS..Hα-helixtrans-65.8-46.5178.7-74.9-20.4000112.4K127 E128 I129 K134 Q135K127-N131 WeakPolarHBondContact O-CB 3.42Å; K127-N131 VanDerWaalsContact O-CG 3.25Å; K127-N131 PolarHBondContact O-N 3.25Å; K127-N131 PolarHBondContact O-ND2 3.49Å; E128-N131 PolarHBondContact O-N 3.46Å; I129-N131 PolarHBondContact O-N 3.49Å; N131-K134 PolarHBondContact O-N 3.01Å; N131-Q135 PolarHBondContact O-N 2.75Å
132K98.3Very high94.7Very high96 Ų9671.6 Ų71.642%0.41735%0.348SS..Hα-helixtrans-63.4-43.7179-75.6177.5170.6171.80111.4L114 E128 I129 K134 Q135 Y136L114-K132 HydrophobicContact CD1-CB 4.18Å; L114-K132 HydrophobicContact CD2-CB 3.73Å; L114-K132 HydrophobicContact CD2-CD 3.8Å; L114-K132 HydrophobicContact CD2-CG 4.39Å; E128-K132 HydrophobicContact CG-CD 4.16Å; E128-K132 WeakPolarHBondContact O-CB 3.19Å; E128-K132 WeakPolarHBondContact O-CG 3.38Å; E128-K132 PolarHBondContact O-N 3.01Å; E128-K132 VanDerWaalsContact OE1-CE 3.3Å; E128-K132 WeakPolarHBondContact OE1-CE 3.44Å; E128-K132 IonicContact OE1-NZ 3.05Å; E128-K132 PolarHBondContact OE1-NZ 3.22Å; I129-K132 PolarHBondContact O-N 2.89Å; K132-K134 PolarHBondContact O-N 3.23Å; K132-Q135 PolarHBondContact O-N 3.01Å; K132-Y136 PolarHBondContact O-N 2.82Å
133L98.5Very high95Very high0 Ų071.1 Ų71.10%034%0.342CS..Hα-helixtrans-63.2-42.8176.2-178.757.1000111.3V111 L114 I129 Q135 Y136 L137 V147 F175 L177V111-L133 HydrophobicContact CG2-CD1 3.75Å; V111-L133 HydrophobicContact CG2-CD2 3.63Å; V111-L133 HydrophobicContact CG2-CG 4.32Å; L114-L133 HydrophobicContact CD1-CB 3.92Å; L114-L133 HydrophobicContact CD1-CD1 4.46Å; I129-L133 WeakPolarHBondContact O-CB 3.47Å; I129-L133 PolarHBondContact O-N 2.93Å; L133-Q135 VanDerWaalsContact C-N 3.35Å; L133-Q135 PolarHBondContact O-N 3.14Å; L133-Y136 HydrophobicContact CD1-CD1 4.26Å; L133-Y136 PolarHBondContact O-N 3.47Å; L133-L137 HydrophobicContact CD1-CD1 4.19Å; L133-L137 HydrophobicContact CD1-CG 4.2Å; L133-L137 HydrophobicContact CG-CD1 4.01Å; L133-L137 HydrophobicContact CG-CG 4.48Å; L133-L137 WeakPolarHBondContact O-CB 3.47Å; L133-L137 WeakPolarHBondContact O-CG 3.29Å; L133-L137 PolarHBondContact O-N 3.04Å; L133-V147 HydrophobicContact CB-CG1 4.35Å; L133-V147 HydrophobicContact CD2-CG1 3.87Å; L133-V147 HydrophobicContact CG-CG1 4.26Å; L133-V147 HydrophobicContact CG-CG2 4.39Å; L133-F175 HydrophobicContact CD2-CD1 3.91Å; L133-F175 HydrophobicContact CD2-CE1 4.33Å; L133-L177 HydrophobicContact CD2-CD1 4.26Å; L133-L177 HydrophobicContact CD2-CD2 3.61Å; L133-L177 HydrophobicContact CG-CD2 4.32Å
134K98.3Very high95.3Very high52 Ų5266 Ų6623%0.22632%0.321CS..Hα-helixtrans-59.2-47175.1-171.9-164-177.4-27.20111.4S130 N131 K132 L137 D138 W145 V147S130-K134 WeakPolarHBondContact O-CB 3.41Å; S130-K134 PolarHBondContact O-N 2.97Å; N131-K134 PolarHBondContact O-N 3.01Å; K132-K134 PolarHBondContact O-N 3.23Å; K134-L137 PolarHBondContact O-N 3.05Å; K134-D138 VanDerWaalsContact NZ-CG 3.34Å; K134-D138 IonicContact NZ-OD1 2.84Å; K134-D138 PolarHBondContact NZ-OD1 3Å; K134-D138 IonicContact NZ-OD2 2.67Å; K134-D138 PolarHBondContact NZ-OD2 3.38Å; K134-D138 WeakPolarHBondContact O-CB 3.43Å; K134-D138 PolarHBondContact O-N 3.45Å; K134-W145 WeakPolarHBondContact CE-O 3.1Å; K134-W145 WeakPolarHBondContact CG-O 3.24Å; K134-W145 PolarHBondContact NZ-O 3.09Å; K134-V147 HydrophobicContact CB-CB 4.36Å; K134-V147 HydrophobicContact CB-CG2 3.77Å; K134-V147 HydrophobicContact CG-CG2 4.26Å
135Q98.2Very high95.6Very high111 Ų11161.6 Ų61.652%0.51929%0.293SS..Hα-helixtrans-59.8-48.4179.1-178.5178.5-4.100111.2N131 K132 L133 L137 D138 E139N131-Q135 PolarHBondContact O-N 2.75Å; K132-Q135 PolarHBondContact O-N 3.01Å; L133-Q135 VanDerWaalsContact C-N 3.35Å; L133-Q135 PolarHBondContact O-N 3.14Å; Q135-L137 VanDerWaalsContact C-N 3.31Å; Q135-L137 PolarHBondContact O-N 3.22Å; Q135-D138 PolarHBondContact O-N 3.42Å; Q135-E139 HydrophobicContact CG-CG 4.42Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.45Å; Q135-E139 PolarHBondContact NE2-OE1 2.82Å; Q135-E139 WeakPolarHBondContact O-CB 3.27Å; Q135-E139 WeakPolarHBondContact O-CG 3.46Å; Q135-E139 PolarHBondContact O-N 2.65Å
136Y98.2Very high95.8Very high46 Ų4661.8 Ų61.818%0.1829%0.293CS..Hα-helixtrans-55-46.1175.2167.7-105000112.1I107 H110 K132 L133 E139 T140 Y141I107-Y136 HydrophobicContact CG1-CE1 4.24Å; H110-Y136 HydrophobicContact CB-CD1 4.36Å; H110-Y136 HydrophobicContact CB-CE1 4.01Å; H110-Y136 AromaticContact CD2-CD1 3.43Å; H110-Y136 VanDerWaalsContact CD2-CD1 3.43Å; H110-Y136 WeakPolarHBondContact CD2-CD1 3.21Å; H110-Y136 AromaticContact CD2-CD2 3.92Å; H110-Y136 AromaticContact CD2-CE1 3.97Å; H110-Y136 AromaticContact CD2-CG 3.39Å; H110-Y136 AromaticContact CE1-CD2 3.97Å; H110-Y136 AromaticContact CG-CD1 3.94Å; H110-Y136 AromaticContact CG-CG 4Å; H110-Y136 WeakPolarHBondContact NE2-CB 3.46Å; H110-Y136 AromaticContact NE2-CD2 3.82Å; H110-Y136 AromaticContact NE2-CG 3.49Å; K132-Y136 PolarHBondContact O-N 2.82Å; L133-Y136 HydrophobicContact CD1-CD1 4.26Å; L133-Y136 PolarHBondContact O-N 3.47Å; Y136-E139 PolarHBondContact O-N 3.33Å; Y136-T140 WeakPolarHBondContact CD2-OG1 3.48Å; Y136-T140 HydrophobicContact CE2-CG2 4.4Å; Y136-T140 VanDerWaalsContact CE2-OG1 3.3Å; Y136-T140 WeakPolarHBondContact CE2-OG1 3.46Å; Y136-T140 WeakPolarHBondContact O-CB 3.44Å; Y136-T140 PolarHBondContact O-N 2.92Å; Y136-T140 PolarHBondContact O-OG1 2.82Å; Y136-Y141 HydrophobicContact CE1-CE2 4.13Å
137L97.4Very high96.1Very high0 Ų061.7 Ų61.70%029%0.293CS..Hα-helixtrans-67.3-42-179.2-67.7168.1000112.4I107 L133 K134 Q135 E139 Y141 W145 V147 L177I107-L137 HydrophobicContact CD1-CD2 3.7Å; I107-L137 HydrophobicContact CG1-CD2 3.81Å; I107-L137 HydrophobicContact CG2-CD2 4.46Å; L133-L137 HydrophobicContact CD1-CD1 4.19Å; L133-L137 HydrophobicContact CD1-CG 4.2Å; L133-L137 HydrophobicContact CG-CD1 4.01Å; L133-L137 HydrophobicContact CG-CG 4.48Å; L133-L137 WeakPolarHBondContact O-CB 3.47Å; L133-L137 WeakPolarHBondContact O-CG 3.29Å; L133-L137 PolarHBondContact O-N 3.04Å; K134-L137 PolarHBondContact O-N 3.05Å; Q135-L137 VanDerWaalsContact C-N 3.31Å; Q135-L137 PolarHBondContact O-N 3.22Å; L137-E139 VanDerWaalsContact C-N 3.34Å; L137-Y141 HydrophobicContact CD2-CD2 3.76Å; L137-Y141 HydrophobicContact CD2-CE2 3.95Å; L137-Y141 WeakPolarHBondContact O-CA 3.19Å; L137-Y141 WeakPolarHBondContact O-CB 3.5Å; L137-Y141 PolarHBondContact O-N 2.84Å; L137-W145 VanDerWaalsContact C-CD1 3.46Å; L137-W145 HydrophobicContact CB-CB 3.93Å; L137-W145 HydrophobicContact CB-CD2 3.74Å; L137-W145 HydrophobicContact CB-CE3 4.38Å; L137-W145 HydrophobicContact CB-CG 3.5Å; L137-W145 VanDerWaalsContact CB-CG 3.5Å; L137-W145 HydrophobicContact CD1-CB 4.29Å; L137-W145 HydrophobicContact CD1-CD2 4.08Å; L137-W145 HydrophobicContact CD1-CE3 3.88Å; L137-W145 HydrophobicContact CD1-CG 4.27Å; L137-W145 HydrophobicContact CD2-CD2 4.47Å; L137-W145 HydrophobicContact CD2-CE3 4.48Å; L137-W145 HydrophobicContact CG-CD2 4.32Å; L137-W145 HydrophobicContact CG-CE3 4.49Å; L137-W145 HydrophobicContact CG-CG 4.45Å; L137-W145 PolarHBondContact O-NE1 3.04Å; L137-V147 HydrophobicContact CD1-CG2 3.78Å; L137-L177 HydrophobicContact CD1-CB 4.33Å; L137-L177 HydrophobicContact CD1-CD1 4.22Å; L137-L177 HydrophobicContact CD1-CD2 4.22Å; L137-L177 HydrophobicContact CD1-CG 4.49Å
138D96Very high96.2Very high40 Ų4058.5 Ų58.521%0.21428%0.282CS..Hα-helixtrans-64-38.4176.8-77.4-15.7000111.9K134 Q135 D142 R143 W145K134-D138 VanDerWaalsContact NZ-CG 3.34Å; K134-D138 IonicContact NZ-OD1 2.84Å; K134-D138 PolarHBondContact NZ-OD1 3Å; K134-D138 IonicContact NZ-OD2 2.67Å; K134-D138 PolarHBondContact NZ-OD2 3.38Å; K134-D138 WeakPolarHBondContact O-CB 3.43Å; K134-D138 PolarHBondContact O-N 3.45Å; Q135-D138 PolarHBondContact O-N 3.42Å; D138-D142 CarbonylContact O-C 3.37Å; D138-D142 VanDerWaalsContact O-CA 3.24Å; D138-D142 WeakPolarHBondContact O-CA 3.47Å; D138-D142 PolarHBondContact O-N 3.1Å; D138-R143 HydrophobicContact CB-CB 4.02Å; D138-R143 WeakPolarHBondContact OD1-CA 3.47Å; D138-W145 PolarHBondContact OD1-N 3.3Å
139E95.4Very high96.3Very high139 Ų13954.7 Ų54.765%0.6526%0.264SS*.Hα-helixtrans-75.2-38.3179.2-71.5173-173.800112.1Q135 Y136 L137Q135-E139 HydrophobicContact CG-CG 4.42Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.45Å; Q135-E139 PolarHBondContact NE2-OE1 2.82Å; Q135-E139 WeakPolarHBondContact O-CB 3.27Å; Q135-E139 WeakPolarHBondContact O-CG 3.46Å; Q135-E139 PolarHBondContact O-N 2.65Å; Y136-E139 PolarHBondContact O-N 3.33Å; L137-E139 VanDerWaalsContact C-N 3.34Å
140T93.7Very high96.2Very high71 Ų7156.2 Ų56.244%0.43627%0.272SS..Hα-helixtrans-89.2-36.5-173-51.60000113Y136Y136-T140 WeakPolarHBondContact CD2-OG1 3.48Å; Y136-T140 HydrophobicContact CE2-CG2 4.4Å; Y136-T140 VanDerWaalsContact CE2-OG1 3.3Å; Y136-T140 WeakPolarHBondContact CE2-OG1 3.46Å; Y136-T140 WeakPolarHBondContact O-CB 3.44Å; Y136-T140 PolarHBondContact O-N 2.92Å; Y136-T140 PolarHBondContact O-OG1 2.82Å
141Y91.3Very high96Very high28 Ų2860.4 Ų60.411%0.1129%0.293CS..Hα-helixtrans-123.721.3-172.2-53.5-74.4000113.4M99 A103 I107 Y136 L137 W145 R179M99-Y141 HydrophobicContact CE-CD1 4.24Å; M99-Y141 HydrophobicContact CE-CE1 4.36Å; M99-Y141 HydrophobicContact CE-CG 4.35Å; A103-Y141 HydrophobicContact CB-CE1 3.95Å; I107-Y141 HydrophobicContact CD1-CD2 4.47Å; I107-Y141 HydrophobicContact CD1-CE2 3.84Å; I107-Y141 HydrophobicContact CG1-CE2 3.74Å; Y136-Y141 HydrophobicContact CE1-CE2 4.13Å; L137-Y141 HydrophobicContact CD2-CD2 3.76Å; L137-Y141 HydrophobicContact CD2-CE2 3.95Å; L137-Y141 WeakPolarHBondContact O-CA 3.19Å; L137-Y141 WeakPolarHBondContact O-CB 3.5Å; L137-Y141 PolarHBondContact O-N 2.84Å; Y141-W145 HydrophobicContact CD2-CZ2 4.47Å; Y141-W145 HydrophobicContact CG-CZ2 4.29Å; Y141-R179 PolarHBondContact O-NH1 2.68Å
142D90.1Very high95.8Very high56 Ų5658 Ų5830%0.29929%0.29SS..  trans61.1154.1-174.3-164.213.9000113.7D138 W145 R179 K182D138-D142 CarbonylContact O-C 3.37Å; D138-D142 VanDerWaalsContact O-CA 3.24Å; D138-D142 WeakPolarHBondContact O-CA 3.47Å; D138-D142 PolarHBondContact O-N 3.1Å; D142-W145 PolarHBondContact O-NE1 3.16Å; D142-R179 WeakPolarHBondContact O-CD 3.34Å; D142-K182 IonicContact OD1-NZ 3.22Å; D142-K182 PolarHBondContact OD1-NZ 3.29Å; D142-K182 IonicContact OD2-NZ 2.78Å; D142-K182 PolarHBondContact OD2-NZ 3.12Å
143R92.9Very high95.6Very high153 Ų15359.4 Ų59.458%0.57731%0.311SS*.SBendtrans-84.9155.9-176.170.1-171.4-178-176.70.1111.9D138 K182D138-R143 HydrophobicContact CB-CB 4.02Å; D138-R143 WeakPolarHBondContact OD1-CA 3.47Å; R143-K182 WeakPolarHBondContact O-CE 3.39Å
144V94Very high95.5Very high48 Ų4862.8 Ų62.829%0.29133%0.325SS..  cis-116.9119.39.5-171.70000110.9R179 T180V144-R179 WeakPolarHBondContact O-CG 3.35Å; V144-T180 PolarHBondContact O-N 3.4Å; V144-T180 PolarHBondContact O-OG1 3.05Å
145W97.1Very high95.3Very high0 Ų066.8 Ų66.80%036%0.358CS..EExtended strand (participates in β ladder)trans-84.7142.3175.8-73.583.4000112.9M99 K134 L137 D138 Y141 D142 K164 L177 W178 R179M99-W145 HydrophobicContact CE-CH2 3.72Å; M99-W145 HydrophobicContact CE-CZ2 4.13Å; M99-W145 HydrophobicContact SD-CH2 3.8Å; M99-W145 HydrophobicContact SD-CZ3 4.46Å; K134-W145 WeakPolarHBondContact CE-O 3.1Å; K134-W145 WeakPolarHBondContact CG-O 3.24Å; K134-W145 PolarHBondContact NZ-O 3.09Å; L137-W145 VanDerWaalsContact C-CD1 3.46Å; L137-W145 HydrophobicContact CB-CB 3.93Å; L137-W145 HydrophobicContact CB-CD2 3.74Å; L137-W145 HydrophobicContact CB-CE3 4.38Å; L137-W145 HydrophobicContact CB-CG 3.5Å; L137-W145 VanDerWaalsContact CB-CG 3.5Å; L137-W145 HydrophobicContact CD1-CB 4.29Å; L137-W145 HydrophobicContact CD1-CD2 4.08Å; L137-W145 HydrophobicContact CD1-CE3 3.88Å; L137-W145 HydrophobicContact CD1-CG 4.27Å; L137-W145 HydrophobicContact CD2-CD2 4.47Å; L137-W145 HydrophobicContact CD2-CE3 4.48Å; L137-W145 HydrophobicContact CG-CD2 4.32Å; L137-W145 HydrophobicContact CG-CE3 4.49Å; L137-W145 HydrophobicContact CG-CG 4.45Å; L137-W145 PolarHBondContact O-NE1 3.04Å; D138-W145 PolarHBondContact OD1-N 3.3Å; Y141-W145 HydrophobicContact CD2-CZ2 4.47Å; Y141-W145 HydrophobicContact CG-CZ2 4.29Å; D142-W145 PolarHBondContact O-NE1 3.16Å; W145-K164 HydrophobicContact CH2-CB 4.08Å; W145-K164 HydrophobicContact CZ2-CB 4.2Å; W145-K164 HydrophobicContact CZ2-CD 4.07Å; W145-L177 HydrophobicContact CE3-CB 4.3Å; W145-L177 HydrophobicContact CZ3-CB 4.18Å; W145-W178 CarbonylContact C-O 3.58Å; W145-W178 WeakPolarHBondContact CA-O 3.45Å; W145-W178 VanDerWaalsContact CE3-C 3.48Å; W145-R179 HydrophobicContact CD2-CB 3.99Å; W145-R179 HydrophobicContact CD2-CG 4.37Å; W145-R179 HydrophobicContact CE3-CB 4.36Å; W145-R179 HydrophobicContact CG-CB 4.39Å; W145-R179 HydrophobicContact CG-CG 4.32Å; W145-R179 HydrophobicContact CZ2-CB 4.19Å
146Q97.3Very high95.1Very high72 Ų7264.7 Ų64.734%0.33635%0.349SS..EExtended strand (participates in β ladder)trans-104132.9167.5-52.1-56.7-3200108.2L177 W178 T180Q146-L177 WeakPolarHBondContact O-CA 3.42Å; Q146-W178 HydrophobicContact CB-CD2 3.85Å; Q146-W178 HydrophobicContact CB-CE3 4.18Å; Q146-W178 HydrophobicContact CB-CG 4.46Å; Q146-W178 HydrophobicContact CB-CH2 3.93Å; Q146-W178 HydrophobicContact CB-CZ2 3.57Å; Q146-W178 HydrophobicContact CB-CZ3 4.22Å; Q146-W178 HydrophobicContact CG-CD2 4.41Å; Q146-W178 HydrophobicContact CG-CZ2 3.88Å; Q146-W178 PolarHBondContact N-O 3.03Å; Q146-W178 PolarHBondContact O-N 3.42Å; Q146-W178 VanDerWaalsContact O-N 3.14Å; Q146-T180 HydrophobicContact CG-CG2 3.91Å; Q146-T180 PolarHBondContact NE2-OG1 2.94Å
147V98.2Very high94.8Very high18 Ų1870.3 Ų70.311%0.10938%0.382CS..EExtended strand (participates in β ladder)trans-129.2113.4-178.4176.40000108.8S130 L133 K134 L137 I149 L177S130-V147 PolarHBondContact OG-O 3.45Å; L133-V147 HydrophobicContact CB-CG1 4.35Å; L133-V147 HydrophobicContact CD2-CG1 3.87Å; L133-V147 HydrophobicContact CG-CG1 4.26Å; L133-V147 HydrophobicContact CG-CG2 4.39Å; K134-V147 HydrophobicContact CB-CB 4.36Å; K134-V147 HydrophobicContact CB-CG2 3.77Å; K134-V147 HydrophobicContact CG-CG2 4.26Å; L137-V147 HydrophobicContact CD1-CG2 3.78Å; V147-I149 HydrophobicContact CG1-CG1 4.3Å; V147-L177 HydrophobicContact CB-CD2 4.12Å; V147-L177 HydrophobicContact CG1-CD2 3.7Å; V147-L177 HydrophobicContact CG2-CD2 3.85Å
148I97.5Very high94.5Very high75 Ų7572.5 Ų72.539%0.38539%0.391SS..EExtended strand (participates in β ladder)trans-112.7132.3171.9-57.6-176.6000108.7L150 F175 L176 W178I148-L150 HydrophobicContact CG2-CD2 3.87Å; I148-F175 WeakPolarHBondContact O-CA 3.38Å; I148-L176 HydrophobicContact CB-CB 4.19Å; I148-L176 HydrophobicContact CB-CD1 4.39Å; I148-L176 HydrophobicContact CG2-CD1 4.41Å; I148-L176 PolarHBondContact N-O 3.06Å; I148-L176 PolarHBondContact O-N 3Å; I148-W178 HydrophobicContact CD1-CH2 3.59Å; I148-W178 HydrophobicContact CD1-CZ3 3.96Å; I148-W178 HydrophobicContact CG1-CH2 4.05Å; I148-W178 HydrophobicContact CG1-CZ3 4.12Å
149I97.2Very high94.1Very high21 Ų2175.5 Ų75.511%0.10842%0.415CS..EExtended strand (participates in β ladder)trans-121.4125.4171.5-51.9174.5000107.2F121 T126 I129 V147 Y173 I174 F175F121-I149 HydrophobicContact CE2-CG2 3.99Å; F121-I149 HydrophobicContact CZ-CG2 4.02Å; T126-I149 HydrophobicContact CG2-CB 3.82Å; T126-I149 HydrophobicContact CG2-CG2 4.03Å; I129-I149 HydrophobicContact CB-CD1 4.08Å; I129-I149 HydrophobicContact CG2-CD1 3.66Å; V147-I149 HydrophobicContact CG1-CG1 4.3Å; I149-Y173 HydrophobicContact CG2-CD1 4.31Å; I149-I174 WeakPolarHBondContact CA-O 3.29Å; I149-F175 HydrophobicContact CD1-CD1 4.03Å; I149-F175 HydrophobicContact CD1-CE1 3.5Å; I149-F175 HydrophobicContact CD1-CZ 4.26Å; I149-F175 HydrophobicContact CG1-CD1 3.74Å; I149-F175 HydrophobicContact CG1-CE1 3.68Å; I149-F175 HydrophobicContact CG1-CZ 4.43Å; I149-F175 HydrophobicContact CG2-CE1 4.12Å; I149-F175 HydrophobicContact CG2-CE2 4.4Å; I149-F175 HydrophobicContact CG2-CZ 4.01Å
150L95.4Very high93.8Very high39 Ų3971.2 Ų71.220%0.20440%0.396CS..EExtended strand (participates in β ladder)trans-141.9159.1-178.868.7108.9000111.9I148 Y173 I174 L176I148-L150 HydrophobicContact CG2-CD2 3.87Å; L150-Y173 CarbonylContact O-C 3.46Å; L150-Y173 WeakPolarHBondContact O-CA 3.38Å; L150-I174 HydrophobicContact CD1-CB 4.39Å; L150-I174 HydrophobicContact CD1-CD1 4.28Å; L150-I174 HydrophobicContact CG-CB 4.14Å; L150-I174 PolarHBondContact N-O 3.35Å; L150-I174 PolarHBondContact O-N 3.37Å; L150-L176 HydrophobicContact CD2-CD1 3.74Å; L150-L176 HydrophobicContact CD2-CG 4.27Å
151N93.8Very high93.5Very high113 Ų11370 Ų7060%0.60439%0.385SS*.EExtended strand (participates in β ladder)trans-118.2120.8169.2-179.8-14000107.6P172 Y173N151-P172 PolarHBondContact OD1-O 3.36Å; N151-Y173 HydrophobicContact CB-CD1 4.24Å; N151-Y173 HydrophobicContact CB-CE1 4.33Å
152G92.8Very high93.5Very high41 Ų4170 Ų7042%0.42339%0.388SS..SBendtrans129.6-148.3-176.400000113I174G152-I174 WeakPolarHBondContact O-CD1 3.42Å
153S94.2Very high93.5Very high124 Ų12467.7 Ų67.787%0.86738%0.375SS*.  trans-112.1153.4179.5-54.70000111
154Y96.8Very high93.6Very high71 Ų7161.4 Ų61.428%0.27835%0.352SS..  trans-137.3151.1179.373.9-79.8000111I95 M156 H167 I174 L176I95-Y154 WeakPolarHBondContact CG2-OH 3.5Å; Y154-M156 HydrophobicContact CD2-CB 4.38Å; Y154-M156 HydrophobicContact CD2-CG 3.92Å; Y154-M156 HydrophobicContact CD2-SD 3.88Å; Y154-M156 HydrophobicContact CE2-CG 3.85Å; Y154-M156 HydrophobicContact CE2-SD 3.63Å; Y154-H167 PolarHBondContact OH-ND1 2.82Å; Y154-I174 HydrophobicContact CD1-CD1 4.04Å; Y154-I174 HydrophobicContact CD1-CG2 4.22Å; Y154-I174 HydrophobicContact CE1-CD1 4.18Å; Y154-I174 HydrophobicContact CE1-CG2 3.88Å; Y154-L176 HydrophobicContact CD1-CD2 4.44Å; Y154-L176 HydrophobicContact CD2-CD1 3.84Å; Y154-L176 HydrophobicContact CD2-CD2 4.32Å; Y154-L176 HydrophobicContact CE1-CD2 3.9Å; Y154-L176 HydrophobicContact CE2-CD1 4.04Å; Y154-L176 HydrophobicContact CE2-CD2 3.75Å; Y154-L176 HydrophobicContact CG-CD1 4.15Å
155C93.1Very high93.7Very high136 Ų13659.1 Ų59.192%0.91934%0.338SS*.  trans-128.3129.7165.4-67.50000106.6
156M94.8Very high93.7Very high68 Ų6859.1 Ų59.134%0.33534%0.338SS..  trans-145.3152.3178.969.2-174.4-67.300111.1Y154 F158 H167 L176 W178Y154-M156 HydrophobicContact CD2-CB 4.38Å; Y154-M156 HydrophobicContact CD2-CG 3.92Å; Y154-M156 HydrophobicContact CD2-SD 3.88Å; Y154-M156 HydrophobicContact CE2-CG 3.85Å; Y154-M156 HydrophobicContact CE2-SD 3.63Å; M156-F158 HydrophobicContact CE-CB 3.67Å; M156-F158 HydrophobicContact CE-CD1 3.37Å; M156-F158 HydrophobicContact CE-CD2 4.04Å; M156-F158 HydrophobicContact CE-CE1 3.96Å; M156-F158 HydrophobicContact CE-CG 3.43Å; M156-F158 VanDerWaalsContact CE-CG 3.43Å; M156-F158 HydrophobicContact CE-CZ 4.5Å; M156-F158 HydrophobicContact CG-CD1 4.09Å; M156-F158 HydrophobicContact CG-CE1 4.5Å; M156-F158 HydrophobicContact SD-CD1 4.11Å; M156-F158 HydrophobicContact SD-CE1 4.29Å; M156-H167 VanDerWaalsContact SD-CE1 3.52Å; M156-L176 HydrophobicContact SD-CD1 3.83Å; M156-W178 HydrophobicContact CE-CE3 4.24Å; M156-W178 HydrophobicContact CE-CH2 4.17Å; M156-W178 HydrophobicContact CE-CZ3 3.95Å
157N91.3Very high93.8Very high163 Ų16355.8 Ų55.887%0.87232%0.323SS*.  trans-123.1134.4159.3-169.78.7000106.8
158F91.1Very high93.8Very high46 Ų4655 Ų5520%0.20232%0.318CS..  trans-149.3161.5-174.869.9-65.8000111.1L96 M156 H160 A165 H167 W178L96-F158 HydrophobicContact CD2-CZ 4.43Å; M156-F158 HydrophobicContact CE-CB 3.67Å; M156-F158 HydrophobicContact CE-CD1 3.37Å; M156-F158 HydrophobicContact CE-CD2 4.04Å; M156-F158 HydrophobicContact CE-CE1 3.96Å; M156-F158 HydrophobicContact CE-CG 3.43Å; M156-F158 VanDerWaalsContact CE-CG 3.43Å; M156-F158 HydrophobicContact CE-CZ 4.5Å; M156-F158 HydrophobicContact CG-CD1 4.09Å; M156-F158 HydrophobicContact CG-CE1 4.5Å; M156-F158 HydrophobicContact SD-CD1 4.11Å; M156-F158 HydrophobicContact SD-CE1 4.29Å; F158-H160 HydrophobicContact CD2-CB 4.27Å; F158-H160 AromaticContact CD2-CD2 3.89Å; F158-H160 HydrophobicContact CE2-CB 4.21Å; F158-H160 AromaticContact CE2-CD2 3.33Å; F158-H160 WeakPolarHBondContact CE2-CD2 3.4Å; F158-H160 AromaticContact CZ-CD2 3.86Å; F158-A165 HydrophobicContact CE2-CB 4.08Å; F158-A165 HydrophobicContact CZ-CB 4.45Å; F158-H167 AromaticContact CE1-CE1 3.65Å; F158-H167 AromaticContact CE2-NE2 3.89Å; F158-H167 AromaticContact CZ-CE1 3.47Å; F158-H167 VanDerWaalsContact CZ-CE1 3.47Å; F158-H167 WeakPolarHBondContact CZ-CE1 3.36Å; F158-H167 AromaticContact CZ-NE2 3.51Å; F158-W178 HydrophobicContact CD2-CB 4.09Å; F158-W178 HydrophobicContact CD2-CD2 4.04Å; F158-W178 AromaticContact CD2-CG 3.78Å; F158-W178 HydrophobicContact CD2-CG 3.78Å; F158-W178 HydrophobicContact CE2-CB 3.87Å; F158-W178 HydrophobicContact CE2-CD2 4.47Å; F158-W178 HydrophobicContact CE2-CG 4.07Å
159S87.9Confident93.8Very high103 Ų10355.2 Ų55.272%0.7232%0.316SS*.  trans-122.4141.5170.5-58.80000108
160H89.1Confident93.7Very high50 Ų5056.4 Ų56.423%0.23132%0.32CS..  trans-140.7158.1-176.860.969.8000108.7E3 F158 A165 W178 R179E3-H160 IonicContact OE1-CE1 3.97Å; F158-H160 HydrophobicContact CD2-CB 4.27Å; F158-H160 AromaticContact CD2-CD2 3.89Å; F158-H160 HydrophobicContact CE2-CB 4.21Å; F158-H160 AromaticContact CE2-CD2 3.33Å; F158-H160 WeakPolarHBondContact CE2-CD2 3.4Å; F158-H160 AromaticContact CZ-CD2 3.86Å; H160-A165 HydrophobicContact CB-CB 4.26Å; H160-W178 HydrophobicContact CB-CB 3.96Å; H160-W178 HydrophobicContact CB-CG 4.44Å; H160-R179 VanDerWaalsContact CA-O 3.31Å; H160-R179 WeakPolarHBondContact CA-O 3.22Å
161E88.5Confident93.6Very high45 Ų4556.9 Ų56.921%0.2133%0.334CS..  trans-67.2151.5170.3-70.1-176.7137.300110.8F163 K164 R179 P181E161-F163 PolarHBondContact O-N 3.02Å; E161-K164 HydrophobicContact CB-CB 4.4Å; E161-K164 HydrophobicContact CB-CG 4.28Å; E161-K164 PolarHBondContact O-N 2.96Å; E161-K164 VanDerWaalsContact O-N 3.16Å; E161-R179 PolarHBondContact N-O 2.67Å; E161-R179 IonicContact OE2-CZ 2.79Å; E161-R179 IonicContact OE2-NE 2.91Å; E161-R179 PolarHBondContact OE2-NE 2.81Å; E161-R179 IonicContact OE2-NH2 2.87Å; E161-R179 PolarHBondContact OE2-NH2 3.42Å; E161-P181 HydrophobicContact CG-CB 4.44Å; E161-P181 HydrophobicContact CG-CG 3.87Å; E161-P181 WeakPolarHBondContact OE1-CA 3.26Å
162P89.9Confident93.6Very high28 Ų2853.9 Ų53.918%0.18232%0.321CS..THydrogen-bonded Turntrans-53.5131.2-177.6-28.136.2000112.7L2 E3 I6 L65 K164L2-P162 HydrophobicContact CD2-CG 3.69Å; L2-P162 HydrophobicContact CG-CG 4.14Å; E3-P162 HydrophobicContact CG-CB 4.02Å; I6-P162 HydrophobicContact CD1-CB 3.59Å; I6-P162 HydrophobicContact CD1-CG 3.76Å; L65-P162 HydrophobicContact CD2-CG 4.06Å; P162-K164 WeakPolarHBondContact O-CG 3.33Å; P162-K164 PolarHBondContact O-N 2.91Å
163F91.6Very high93.7Very high7 Ų752.9 Ų52.93%0.03130%0.304CS..THydrogen-bonded Turntrans64.318.2178.8-37.1-58.5000115.9E3 I6 K7 E73 R77 K98 M99 E161E3-F163 HydrophobicContact CB-CD1 4.42Å; E3-F163 HydrophobicContact CB-CE1 3.6Å; E3-F163 HydrophobicContact CB-CZ 4.04Å; E3-F163 HydrophobicContact CG-CD1 3.99Å; E3-F163 HydrophobicContact CG-CE1 3.61Å; E3-F163 HydrophobicContact CG-CZ 4.13Å; E3-F163 PolarHBondContact OE1-N 3.16Å; I6-F163 HydrophobicContact CB-CE2 3.97Å; I6-F163 HydrophobicContact CB-CZ 3.84Å; I6-F163 HydrophobicContact CD1-CE2 3.98Å; I6-F163 HydrophobicContact CD1-CZ 4.27Å; I6-F163 HydrophobicContact CG2-CE2 3.39Å; I6-F163 HydrophobicContact CG2-CZ 3.64Å; K7-F163 HydrophobicContact CG-CE1 4.29Å; K7-F163 HydrophobicContact CG-CZ 4.21Å; E73-F163 HydrophobicContact CG-CD2 3.83Å; E73-F163 HydrophobicContact CG-CE2 4.1Å; R77-F163 VanDerWaalsContact NH2-CD2 3.34Å; R77-F163 VanDerWaalsContact NH2-CE2 3.32Å; K98-F163 WeakPolarHBondContact O-CA 3.18Å; K98-F163 WeakPolarHBondContact O-CB 3.21Å; M99-F163 WeakPolarHBondContact CG-O 3.3Å; E161-F163 PolarHBondContact O-N 3.02Å
164K93.9Very high93.9Very high21 Ų2147.8 Ų47.89%0.09127%0.267CS..  trans-121.450.4-177-54-68.1175.2-89.70111.4E73 W145 E161 P162 W178 R179E73-K164 IonicContact OE2-NZ 2.67Å; W145-K164 HydrophobicContact CH2-CB 4.08Å; W145-K164 HydrophobicContact CZ2-CB 4.2Å; W145-K164 HydrophobicContact CZ2-CD 4.07Å; E161-K164 HydrophobicContact CB-CB 4.4Å; E161-K164 HydrophobicContact CB-CG 4.28Å; E161-K164 PolarHBondContact O-N 2.96Å; E161-K164 VanDerWaalsContact O-N 3.16Å; P162-K164 WeakPolarHBondContact O-CG 3.33Å; P162-K164 PolarHBondContact O-N 2.91Å; K164-W178 CarbonylContact O-C 3.58Å; K164-W178 VanDerWaalsContact O-CA 3.24Å; K164-W178 WeakPolarHBondContact O-CA 3.47Å; K164-R179 HydrophobicContact CB-CB 3.54Å; K164-R179 HydrophobicContact CG-CB 4.25Å; K164-R179 PolarHBondContact O-N 2.87Å
165A96.7Very high93.9Very high0 Ų044.4 Ų44.40%025%0.254CS..EExtended strand (participates in β ladder)trans-145.6135.3174.300000111.5L96 K98 F158 H160 L177 W178L96-A165 HydrophobicContact CD2-CB 4.07Å; K98-A165 HydrophobicContact CB-CB 4.23Å; K98-A165 HydrophobicContact CG-CB 4.02Å; K98-A165 PolarHBondContact N-O 3.02Å; F158-A165 HydrophobicContact CE2-CB 4.08Å; F158-A165 HydrophobicContact CZ-CB 4.45Å; H160-A165 HydrophobicContact CB-CB 4.26Å; A165-L177 CarbonylContact C-O 3.59Å; A165-L177 WeakPolarHBondContact CA-O 3Å; A165-W178 HydrophobicContact CB-CB 4.1Å
166L97.9Very high94.2Very high0 Ų038.1 Ų38.10%021%0.211CC..EExtended strand (participates in β ladder)trans-149.9118.9-179.7176.359.4000109.9I94 M99 E104 I107 F168 L177I94-L166 HydrophobicContact CD1-CD1 4.33Å; M99-L166 HydrophobicContact CG-CB 4.2Å; M99-L166 HydrophobicContact SD-CB 3.84Å; M99-L166 HydrophobicContact SD-CD2 4.32Å; E104-L166 HydrophobicContact CG-CD1 4.09Å; I107-L166 HydrophobicContact CB-CD2 3.99Å; I107-L166 HydrophobicContact CD1-CD2 3.87Å; I107-L166 HydrophobicContact CG2-CD2 3.86Å; L166-F168 HydrophobicContact CD1-CD1 4.21Å; L166-F168 HydrophobicContact CD2-CD1 4.07Å; L166-F168 HydrophobicContact CD2-CE1 3.99Å; L166-F168 HydrophobicContact CG-CD1 3.79Å; L166-F168 HydrophobicContact CG-CE1 4.09Å; L166-L177 HydrophobicContact CD2-CD1 4.49Å; L166-L177 PolarHBondContact N-O 3.38Å; L166-L177 VanDerWaalsContact O-CB 3.29Å; L166-L177 WeakPolarHBondContact O-CB 3.44Å; L166-L177 WeakPolarHBondContact O-CG 3.36Å; L166-L177 PolarHBondContact O-N 3.47Å
167H98Very high94.4Very high3 Ų334.9 Ų34.91%0.01420%0.195CC..EExtended strand (participates in β ladder)trans-118.8131.4173.6-56.6177.6000109.7I95 L96 Y154 M156 F158 F175 L176I95-H167 HydrophobicContact CB-CB 4.08Å; I95-H167 PolarHBondContact N-O 2.77Å; L96-H167 HydrophobicContact CB-CB 4.05Å; L96-H167 PolarHBondContact N-O 2.8Å; L96-H167 VanDerWaalsContact N-O 3.1Å; L96-H167 PolarHBondContact O-N 3.03Å; Y154-H167 PolarHBondContact OH-ND1 2.82Å; M156-H167 VanDerWaalsContact SD-CE1 3.52Å; F158-H167 AromaticContact CE1-CE1 3.65Å; F158-H167 AromaticContact CE2-NE2 3.89Å; F158-H167 AromaticContact CZ-CE1 3.47Å; F158-H167 VanDerWaalsContact CZ-CE1 3.47Å; F158-H167 WeakPolarHBondContact CZ-CE1 3.36Å; F158-H167 AromaticContact CZ-NE2 3.51Å; H167-F175 VanDerWaalsContact CA-O 3.24Å; H167-F175 WeakPolarHBondContact CA-O 3.27Å; H167-L176 HydrophobicContact CB-CD2 3.88Å
168F98.3Very high94.7Very high0 Ų028.7 Ų28.70%016%0.16CC..EExtended strand (participates in β ladder)trans-151.6167.5175.859.6-94.3000111.3F92 E93 I94 I107 T108 V111 L166 I174 F175 L177F92-F168 AromaticContact CD1-CD2 3.59Å; F92-F168 HydrophobicContact CD1-CD2 3.59Å; F92-F168 AromaticContact CD1-CE2 3.8Å; F92-F168 HydrophobicContact CD1-CE2 3.8Å; F92-F168 HydrophobicContact CD1-CG 4.45Å; F92-F168 HydrophobicContact CE1-CD2 4.03Å; F92-F168 AromaticContact CE1-CE2 3.74Å; F92-F168 HydrophobicContact CE1-CE2 3.74Å; E93-F168 CarbonylContact O-C 3.58Å; E93-F168 WeakPolarHBondContact O-CA 3.28Å; E93-F168 WeakPolarHBondContact O-CB 3.33Å; I94-F168 HydrophobicContact CD1-CB 3.74Å; I94-F168 HydrophobicContact CD1-CG 4.48Å; I107-F168 HydrophobicContact CG2-CE1 4.19Å; T108-F168 HydrophobicContact CG2-CD1 4.17Å; T108-F168 HydrophobicContact CG2-CD2 4.48Å; T108-F168 HydrophobicContact CG2-CE1 4.12Å; T108-F168 HydrophobicContact CG2-CE2 4.43Å; T108-F168 HydrophobicContact CG2-CG 4.35Å; T108-F168 HydrophobicContact CG2-CZ 4.24Å; V111-F168 HydrophobicContact CB-CE2 4.46Å; V111-F168 HydrophobicContact CB-CZ 4.23Å; V111-F168 HydrophobicContact CG1-CE2 4.14Å; V111-F168 HydrophobicContact CG1-CZ 4.32Å; V111-F168 HydrophobicContact CG2-CZ 3.87Å; L166-F168 HydrophobicContact CD1-CD1 4.21Å; L166-F168 HydrophobicContact CD2-CD1 4.07Å; L166-F168 HydrophobicContact CD2-CE1 3.99Å; L166-F168 HydrophobicContact CG-CD1 3.79Å; L166-F168 HydrophobicContact CG-CE1 4.09Å; F168-I174 WeakPolarHBondContact O-CA 3.31Å; F168-F175 HydrophobicContact CD1-CB 4.41Å; F168-F175 HydrophobicContact CD2-CB 4.11Å; F168-F175 HydrophobicContact CD2-CD2 4.1Å; F168-F175 HydrophobicContact CD2-CG 4.33Å; F168-F175 HydrophobicContact CE1-CB 4.05Å; F168-F175 HydrophobicContact CE2-CB 3.72Å; F168-F175 HydrophobicContact CE2-CD1 4.39Å; F168-F175 AromaticContact CE2-CD2 3.61Å; F168-F175 HydrophobicContact CE2-CD2 3.61Å; F168-F175 HydrophobicContact CE2-CE2 4.39Å; F168-F175 AromaticContact CE2-CG 3.64Å; F168-F175 HydrophobicContact CE2-CG 3.64Å; F168-F175 HydrophobicContact CG-CB 4.45Å; F168-F175 HydrophobicContact CZ-CB 3.69Å; F168-F175 HydrophobicContact CZ-CD1 4.33Å; F168-F175 HydrophobicContact CZ-CD2 4.3Å; F168-F175 AromaticContact CZ-CG 3.86Å; F168-F175 HydrophobicContact CZ-CG 3.86Å; F168-F175 PolarHBondContact N-O 3.18Å; F168-F175 PolarHBondContact O-N 3.42Å; F168-L177 HydrophobicContact CE1-CD1 3.81Å; F168-L177 HydrophobicContact CZ-CD1 4.41Å
169K97.4Very high94.9Very high80 Ų8026.7 Ų26.735%0.34815%0.151SC..EExtended strand (participates in β ladder)trans-114.9141.4173.1179.3-176.5173.5-169.90110.2F92 E93 I95 G171 Y173 I174F92-K169 WeakPolarHBondContact CA-O 3.25Å; E93-K169 HydrophobicContact CB-CB 4.23Å; E93-K169 PolarHBondContact N-O 2.74Å; E93-K169 PolarHBondContact O-N 3.34Å; I95-K169 HydrophobicContact CD1-CB 4.34Å; K169-G171 WeakPolarHBondContact CE-O 3.38Å; K169-G171 WeakPolarHBondContact CG-O 3.28Å; K169-Y173 CarbonylContact C-O 3.52Å; K169-Y173 VanDerWaalsContact CA-O 3.27Å; K169-Y173 WeakPolarHBondContact CA-O 3.03Å; K169-Y173 WeakPolarHBondContact CG-O 3.48Å; K169-I174 HydrophobicContact CB-CG1 4.39Å; K169-I174 HydrophobicContact CG-CG1 4.36Å
170Y95.8Very high95.1Very high47 Ų4723.5 Ų23.518%0.18413%0.127CC..EExtended strand (participates in β ladder)trans-137.1113.3172-175.7-117.7000108.9D91 F92 I115 Y173D91-Y170 HydrophobicContact CB-CD2 4.16Å; D91-Y170 HydrophobicContact CB-CE2 3.79Å; F92-Y170 AromaticContact CD1-CD2 3.76Å; F92-Y170 HydrophobicContact CD1-CD2 3.76Å; F92-Y170 HydrophobicContact CD1-CG 4.01Å; F92-Y170 HydrophobicContact CD2-CD2 4.47Å; F92-Y170 HydrophobicContact CE1-CD1 4.32Å; F92-Y170 AromaticContact CE1-CD2 3.46Å; F92-Y170 HydrophobicContact CE1-CD2 3.46Å; F92-Y170 VanDerWaalsContact CE1-CD2 3.46Å; F92-Y170 HydrophobicContact CE1-CE2 4.24Å; F92-Y170 AromaticContact CE1-CG 3.51Å; F92-Y170 HydrophobicContact CE1-CG 3.51Å; F92-Y170 HydrophobicContact CE2-CD2 4.23Å; F92-Y170 HydrophobicContact CE2-CE2 4.35Å; F92-Y170 HydrophobicContact CG-CD2 4.25Å; F92-Y170 AromaticContact CZ-CD2 3.7Å; F92-Y170 HydrophobicContact CZ-CD2 3.7Å; F92-Y170 HydrophobicContact CZ-CE2 4.01Å; F92-Y170 HydrophobicContact CZ-CG 4.04Å; I115-Y170 HydrophobicContact CB-CE1 4.46Å; I115-Y170 HydrophobicContact CD1-CD1 3.39Å; I115-Y170 HydrophobicContact CD1-CE1 3.71Å; I115-Y170 HydrophobicContact CG2-CE1 4.19Å; Y170-Y173 PolarHBondContact N-O 3.16Å; Y170-Y173 PolarHBondContact O-N 3.46Å; Y170-Y173 VanDerWaalsContact O-N 3.16Å
171G93Very high94.9Very high49 Ų4925 Ų2551%0.50514%0.142SC..THydrogen-bonded Turntrans58.3-130.9-169.200000111.6K169 Y173K169-G171 WeakPolarHBondContact CE-O 3.38Å; K169-G171 WeakPolarHBondContact CG-O 3.28Å; G171-Y173 VanDerWaalsContact C-N 3.29Å
172P93Very high94.3Very high50 Ų5028 Ų2833%0.32515%0.154SC..THydrogen-bonded Turntrans-83.2-2.6178.734.5-34.3000113.7N151N151-P172 PolarHBondContact OD1-O 3.36Å
173Y96.1Very high92.9Very high19 Ų1933.8 Ų33.88%0.07522%0.218CC..EExtended strand (participates in β ladder)trans-102.6137.8-172.2-58.7-79.3000112.2F121 I149 L150 N151 K169 Y170 G171F121-Y173 HydrophobicContact CD1-CD2 4.02Å; F121-Y173 HydrophobicContact CD1-CE1 4.49Å; F121-Y173 AromaticContact CD1-CE2 3.52Å; F121-Y173 HydrophobicContact CD1-CE2 3.52Å; F121-Y173 AromaticContact CD1-CZ 3.79Å; F121-Y173 HydrophobicContact CD2-CD1 4.49Å; F121-Y173 AromaticContact CD2-CE1 3.93Å; F121-Y173 HydrophobicContact CD2-CE1 3.93Å; F121-Y173 HydrophobicContact CD2-CE2 4.41Å; F121-Y173 AromaticContact CD2-CZ 3.9Å; F121-Y173 HydrophobicContact CE1-CD1 4.17Å; F121-Y173 AromaticContact CE1-CD2 3.24Å; F121-Y173 HydrophobicContact CE1-CD2 3.24Å; F121-Y173 HydrophobicContact CE1-CE1 4.16Å; F121-Y173 AromaticContact CE1-CE2 3.25Å; F121-Y173 HydrophobicContact CE1-CE2 3.25Å; F121-Y173 AromaticContact CE1-CG 3.74Å; F121-Y173 HydrophobicContact CE1-CG 3.74Å; F121-Y173 AromaticContact CE1-CZ 3.73Å; F121-Y173 AromaticContact CE2-CD1 3.67Å; F121-Y173 HydrophobicContact CE2-CD1 3.67Å; F121-Y173 HydrophobicContact CE2-CD2 4.27Å; F121-Y173 AromaticContact CE2-CE1 3.55Å; F121-Y173 HydrophobicContact CE2-CE1 3.55Å; F121-Y173 HydrophobicContact CE2-CE2 4.18Å; F121-Y173 HydrophobicContact CE2-CG 4.02Å; F121-Y173 AromaticContact CE2-CZ 3.83Å; F121-Y173 HydrophobicContact CG-CE1 4.38Å; F121-Y173 HydrophobicContact CG-CE2 4.11Å; F121-Y173 AromaticContact CG-CZ 3.87Å; F121-Y173 AromaticContact CZ-CD1 3.48Å; F121-Y173 HydrophobicContact CZ-CD1 3.48Å; F121-Y173 VanDerWaalsContact CZ-CD1 3.48Å; F121-Y173 AromaticContact CZ-CD2 3.39Å; F121-Y173 HydrophobicContact CZ-CD2 3.39Å; F121-Y173 AromaticContact CZ-CE1 3.68Å; F121-Y173 HydrophobicContact CZ-CE1 3.68Å; F121-Y173 AromaticContact CZ-CE2 3.62Å; F121-Y173 HydrophobicContact CZ-CE2 3.62Å; F121-Y173 AromaticContact CZ-CG 3.32Å; F121-Y173 HydrophobicContact CZ-CG 3.32Å; F121-Y173 AromaticContact CZ-CZ 3.75Å; F121-Y173 PolarHBondContact N-OH 2.9Å; F121-Y173 PolarHBondContact O-OH 2.98Å; I149-Y173 HydrophobicContact CG2-CD1 4.31Å; L150-Y173 CarbonylContact O-C 3.46Å; L150-Y173 WeakPolarHBondContact O-CA 3.38Å; N151-Y173 HydrophobicContact CB-CD1 4.24Å; N151-Y173 HydrophobicContact CB-CE1 4.33Å; K169-Y173 CarbonylContact C-O 3.52Å; K169-Y173 VanDerWaalsContact CA-O 3.27Å; K169-Y173 WeakPolarHBondContact CA-O 3.03Å; K169-Y173 WeakPolarHBondContact CG-O 3.48Å; Y170-Y173 PolarHBondContact N-O 3.16Å; Y170-Y173 PolarHBondContact O-N 3.46Å; Y170-Y173 VanDerWaalsContact O-N 3.16Å; G171-Y173 VanDerWaalsContact C-N 3.29Å
174I97.3Very high92.9Very high17 Ų1735.1 Ų35.19%0.08723%0.227CC..EExtended strand (participates in β ladder)trans-105.6130.5172.6-60.2173.2000108I95 I149 L150 G152 Y154 F168 K169 L176I95-I174 HydrophobicContact CD1-CG2 3.88Å; I149-I174 WeakPolarHBondContact CA-O 3.29Å; L150-I174 HydrophobicContact CD1-CB 4.39Å; L150-I174 HydrophobicContact CD1-CD1 4.28Å; L150-I174 HydrophobicContact CG-CB 4.14Å; L150-I174 PolarHBondContact N-O 3.35Å; L150-I174 PolarHBondContact O-N 3.37Å; G152-I174 WeakPolarHBondContact O-CD1 3.42Å; Y154-I174 HydrophobicContact CD1-CD1 4.04Å; Y154-I174 HydrophobicContact CD1-CG2 4.22Å; Y154-I174 HydrophobicContact CE1-CD1 4.18Å; Y154-I174 HydrophobicContact CE1-CG2 3.88Å; F168-I174 WeakPolarHBondContact O-CA 3.31Å; K169-I174 HydrophobicContact CB-CG1 4.39Å; K169-I174 HydrophobicContact CG-CG1 4.36Å; I174-L176 HydrophobicContact CG2-CD2 3.62Å; I174-L176 HydrophobicContact CG2-CG 4.18Å
175F98.3Very high92.9Very high0 Ų035.8 Ų35.80%023%0.234CC..EExtended strand (participates in β ladder)trans-107.3123.6176-68.2-103.5000108.3V111 I115 F121 I129 L133 I148 I149 H167 F168V111-F175 HydrophobicContact CG1-CD1 4.28Å; V111-F175 HydrophobicContact CG1-CE1 3.76Å; V111-F175 HydrophobicContact CG1-CE2 4.16Å; V111-F175 HydrophobicContact CG1-CZ 3.73Å; V111-F175 HydrophobicContact CG2-CD1 4.36Å; V111-F175 HydrophobicContact CG2-CE1 4.35Å; I115-F175 HydrophobicContact CD1-CE2 4.38Å; I115-F175 HydrophobicContact CD1-CZ 3.84Å; F121-F175 HydrophobicContact CZ-CZ 4.31Å; I129-F175 HydrophobicContact CG2-CE1 4.27Å; L133-F175 HydrophobicContact CD2-CD1 3.91Å; L133-F175 HydrophobicContact CD2-CE1 4.33Å; I148-F175 WeakPolarHBondContact O-CA 3.38Å; I149-F175 HydrophobicContact CD1-CD1 4.03Å; I149-F175 HydrophobicContact CD1-CE1 3.5Å; I149-F175 HydrophobicContact CD1-CZ 4.26Å; I149-F175 HydrophobicContact CG1-CD1 3.74Å; I149-F175 HydrophobicContact CG1-CE1 3.68Å; I149-F175 HydrophobicContact CG1-CZ 4.43Å; I149-F175 HydrophobicContact CG2-CE1 4.12Å; I149-F175 HydrophobicContact CG2-CE2 4.4Å; I149-F175 HydrophobicContact CG2-CZ 4.01Å; H167-F175 VanDerWaalsContact CA-O 3.24Å; H167-F175 WeakPolarHBondContact CA-O 3.27Å; F168-F175 HydrophobicContact CD1-CB 4.41Å; F168-F175 HydrophobicContact CD2-CB 4.11Å; F168-F175 HydrophobicContact CD2-CD2 4.1Å; F168-F175 HydrophobicContact CD2-CG 4.33Å; F168-F175 HydrophobicContact CE1-CB 4.05Å; F168-F175 HydrophobicContact CE2-CB 3.72Å; F168-F175 HydrophobicContact CE2-CD1 4.39Å; F168-F175 AromaticContact CE2-CD2 3.61Å; F168-F175 HydrophobicContact CE2-CD2 3.61Å; F168-F175 HydrophobicContact CE2-CE2 4.39Å; F168-F175 AromaticContact CE2-CG 3.64Å; F168-F175 HydrophobicContact CE2-CG 3.64Å; F168-F175 HydrophobicContact CG-CB 4.45Å; F168-F175 HydrophobicContact CZ-CB 3.69Å; F168-F175 HydrophobicContact CZ-CD1 4.33Å; F168-F175 HydrophobicContact CZ-CD2 4.3Å; F168-F175 AromaticContact CZ-CG 3.86Å; F168-F175 HydrophobicContact CZ-CG 3.86Å; F168-F175 PolarHBondContact N-O 3.18Å; F168-F175 PolarHBondContact O-N 3.42Å
176L98.4Very high92.7Very high5 Ų537.8 Ų37.83%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-117.2111.8175-46.4174.3000107.9I148 L150 Y154 M156 H167 I174 W178I148-L176 HydrophobicContact CB-CB 4.19Å; I148-L176 HydrophobicContact CB-CD1 4.39Å; I148-L176 HydrophobicContact CG2-CD1 4.41Å; I148-L176 PolarHBondContact N-O 3.06Å; I148-L176 PolarHBondContact O-N 3Å; L150-L176 HydrophobicContact CD2-CD1 3.74Å; L150-L176 HydrophobicContact CD2-CG 4.27Å; Y154-L176 HydrophobicContact CD1-CD2 4.44Å; Y154-L176 HydrophobicContact CD2-CD1 3.84Å; Y154-L176 HydrophobicContact CD2-CD2 4.32Å; Y154-L176 HydrophobicContact CE1-CD2 3.9Å; Y154-L176 HydrophobicContact CE2-CD1 4.04Å; Y154-L176 HydrophobicContact CE2-CD2 3.75Å; Y154-L176 HydrophobicContact CG-CD1 4.15Å; M156-L176 HydrophobicContact SD-CD1 3.83Å; H167-L176 HydrophobicContact CB-CD2 3.88Å; I174-L176 HydrophobicContact CG2-CD2 3.62Å; I174-L176 HydrophobicContact CG2-CG 4.18Å; L176-W178 HydrophobicContact CB-CE3 4.43Å; L176-W178 HydrophobicContact CB-CZ3 4.05Å
177L98.4Very high92.3Very high0 Ų040.1 Ų40.10%026%0.262CS..EExtended strand (participates in β ladder)trans-121.2125.5-175.1-42.5175.1000108.5I107 L133 L137 W145 Q146 V147 A165 L166 F168I107-L177 HydrophobicContact CG2-CD1 3.62Å; L133-L177 HydrophobicContact CD2-CD1 4.26Å; L133-L177 HydrophobicContact CD2-CD2 3.61Å; L133-L177 HydrophobicContact CG-CD2 4.32Å; L137-L177 HydrophobicContact CD1-CB 4.33Å; L137-L177 HydrophobicContact CD1-CD1 4.22Å; L137-L177 HydrophobicContact CD1-CD2 4.22Å; L137-L177 HydrophobicContact CD1-CG 4.49Å; W145-L177 HydrophobicContact CE3-CB 4.3Å; W145-L177 HydrophobicContact CZ3-CB 4.18Å; Q146-L177 WeakPolarHBondContact O-CA 3.42Å; V147-L177 HydrophobicContact CB-CD2 4.12Å; V147-L177 HydrophobicContact CG1-CD2 3.7Å; V147-L177 HydrophobicContact CG2-CD2 3.85Å; A165-L177 CarbonylContact C-O 3.59Å; A165-L177 WeakPolarHBondContact CA-O 3Å; L166-L177 HydrophobicContact CD2-CD1 4.49Å; L166-L177 PolarHBondContact N-O 3.38Å; L166-L177 VanDerWaalsContact O-CB 3.29Å; L166-L177 WeakPolarHBondContact O-CB 3.44Å; L166-L177 WeakPolarHBondContact O-CG 3.36Å; L166-L177 PolarHBondContact O-N 3.47Å; F168-L177 HydrophobicContact CE1-CD1 3.81Å; F168-L177 HydrophobicContact CZ-CD1 4.41Å
178W97.6Very high92Very high32 Ų3242.4 Ų42.412%0.12128%0.278CS..EExtended strand (participates in β ladder)trans-152150.4169.971.496.3000112.3W145 Q146 I148 M156 F158 H160 K164 A165 L176W145-W178 CarbonylContact C-O 3.58Å; W145-W178 WeakPolarHBondContact CA-O 3.45Å; W145-W178 VanDerWaalsContact CE3-C 3.48Å; Q146-W178 HydrophobicContact CB-CD2 3.85Å; Q146-W178 HydrophobicContact CB-CE3 4.18Å; Q146-W178 HydrophobicContact CB-CG 4.46Å; Q146-W178 HydrophobicContact CB-CH2 3.93Å; Q146-W178 HydrophobicContact CB-CZ2 3.57Å; Q146-W178 HydrophobicContact CB-CZ3 4.22Å; Q146-W178 HydrophobicContact CG-CD2 4.41Å; Q146-W178 HydrophobicContact CG-CZ2 3.88Å; Q146-W178 PolarHBondContact N-O 3.03Å; Q146-W178 PolarHBondContact O-N 3.42Å; Q146-W178 VanDerWaalsContact O-N 3.14Å; I148-W178 HydrophobicContact CD1-CH2 3.59Å; I148-W178 HydrophobicContact CD1-CZ3 3.96Å; I148-W178 HydrophobicContact CG1-CH2 4.05Å; I148-W178 HydrophobicContact CG1-CZ3 4.12Å; M156-W178 HydrophobicContact CE-CE3 4.24Å; M156-W178 HydrophobicContact CE-CH2 4.17Å; M156-W178 HydrophobicContact CE-CZ3 3.95Å; F158-W178 HydrophobicContact CD2-CB 4.09Å; F158-W178 HydrophobicContact CD2-CD2 4.04Å; F158-W178 AromaticContact CD2-CG 3.78Å; F158-W178 HydrophobicContact CD2-CG 3.78Å; F158-W178 HydrophobicContact CE2-CB 3.87Å; F158-W178 HydrophobicContact CE2-CD2 4.47Å; F158-W178 HydrophobicContact CE2-CG 4.07Å; H160-W178 HydrophobicContact CB-CB 3.96Å; H160-W178 HydrophobicContact CB-CG 4.44Å; K164-W178 CarbonylContact O-C 3.58Å; K164-W178 VanDerWaalsContact O-CA 3.24Å; K164-W178 WeakPolarHBondContact O-CA 3.47Å; A165-W178 HydrophobicContact CB-CB 4.1Å; L176-W178 HydrophobicContact CB-CE3 4.43Å; L176-W178 HydrophobicContact CB-CZ3 4.05Å
179R95.4Very high91.6Very high4 Ų445.2 Ų45.22%0.01530%0.296CS..EExtended strand (participates in β ladder)trans-94.4134.1173.9-157.1176.270.5175.613.4110.6E69 Y141 D142 V144 W145 H160 E161 K164E69-R179 IonicContact OE1-CZ 3.28Å; E69-R179 IonicContact OE1-NH1 3.76Å; E69-R179 PolarHBondContact OE1-NH1 2.8Å; E69-R179 IonicContact OE1-NH2 2.8Å; E69-R179 PolarHBondContact OE1-NH2 3.39Å; E69-R179 IonicContact OE2-CZ 3.02Å; E69-R179 IonicContact OE2-NH1 3.65Å; E69-R179 IonicContact OE2-NH2 2.66Å; E69-R179 PolarHBondContact OE2-NH2 2.97Å; Y141-R179 PolarHBondContact O-NH1 2.68Å; D142-R179 WeakPolarHBondContact O-CD 3.34Å; V144-R179 WeakPolarHBondContact O-CG 3.35Å; W145-R179 HydrophobicContact CD2-CB 3.99Å; W145-R179 HydrophobicContact CD2-CG 4.37Å; W145-R179 HydrophobicContact CE3-CB 4.36Å; W145-R179 HydrophobicContact CG-CB 4.39Å; W145-R179 HydrophobicContact CG-CG 4.32Å; W145-R179 HydrophobicContact CZ2-CB 4.19Å; H160-R179 VanDerWaalsContact CA-O 3.31Å; H160-R179 WeakPolarHBondContact CA-O 3.22Å; E161-R179 PolarHBondContact N-O 2.67Å; E161-R179 IonicContact OE2-CZ 2.79Å; E161-R179 IonicContact OE2-NE 2.91Å; E161-R179 PolarHBondContact OE2-NE 2.81Å; E161-R179 IonicContact OE2-NH2 2.87Å; E161-R179 PolarHBondContact OE2-NH2 3.42Å; K164-R179 HydrophobicContact CB-CB 3.54Å; K164-R179 HydrophobicContact CG-CB 4.25Å; K164-R179 PolarHBondContact O-N 2.87Å
180T92.1Very high91.2Very high36 Ų3642.7 Ų42.722%0.22129%0.292CS..PPolyproline II helixtrans-103.1147.1174.250.40000110.3V144 Q146V144-T180 PolarHBondContact O-N 3.4Å; V144-T180 PolarHBondContact O-OG1 3.05Å; Q146-T180 HydrophobicContact CG-CG2 3.91Å; Q146-T180 PolarHBondContact NE2-OG1 2.94Å
181P84.6Confident90.8Very high83 Ų8342.4 Ų42.454%0.53930%0.301SS..PPolyproline II helixtrans-53.1143.7174.9-23.832.6000112.2E161 G183E161-P181 HydrophobicContact CG-CB 4.44Å; E161-P181 HydrophobicContact CG-CG 3.87Å; E161-P181 WeakPolarHBondContact OE1-CA 3.26Å; P181-G183 PolarHBondContact O-N 3.07Å
182K77.4Confident90.6Very high108 Ų10841.8 Ų41.847%0.4728%0.284SS..PPolyproline II helixtrans-63.7117.6168.1-67.4172.9-176.9168.10107D142 R143D142-K182 IonicContact OD1-NZ 3.22Å; D142-K182 PolarHBondContact OD1-NZ 3.29Å; D142-K182 IonicContact OD2-NZ 2.78Å; D142-K182 PolarHBondContact OD2-NZ 3.12Å; R143-K182 WeakPolarHBondContact O-CE 3.39Å
183G58.9Low90.4Very high148 Ų14841.1 Ų41.1100%1.52628%0.28SS*.  trans-68.40174.200000112.9P181P181-G183 PolarHBondContact O-N 3.07Å

Retrieved 183 of 183 residues in 396.2 ms (Link to these results)

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