A0A3Q0KGK8_SCHMA Loading...

Putative soluble NSF attachment protein (SNAP)

Required for vesicular transport between the endoplasmic reticulum and the Golgi apparatus.

AlphaFold DB , UniProt , Accession A0A3Q0KGK8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 293 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
1M61.8Low89.4Confident156 Ų15689.1 Ų89.177%0.76841%0.411SS*.  0129.50-175.8170.858.300106.4E5 K6M1-E5 HydrophobicContact CG-CB 4.26Å; M1-K6 HydrophobicContact CE-CB 3.64Å; M1-K6 HydrophobicContact CE-CD 3.95Å; M1-K6 HydrophobicContact CE-CG 3.56Å; M1-K6 HydrophobicContact SD-CB 4.44Å
2D85.3Confident89.7Confident70 Ų7084.1 Ų84.137%0.37439%0.389SS..  trans-60.8141.3178-175.1-84.1000110.3N4 E5 K6 A50D2-N4 VanDerWaalsContact C-N 3.25Å; D2-N4 PolarHBondContact O-N 2.9Å; D2-N4 WeakPolarHBondContact OD1-CA 3.46Å; D2-N4 WeakPolarHBondContact OD1-CB 3.16Å; D2-N4 PolarHBondContact OD1-N 3.46Å; D2-N4 PolarHBondContact OD1-ND2 3.44Å; D2-E5 HydrophobicContact CB-CB 3.98Å; D2-E5 WeakPolarHBondContact O-CB 3.33Å; D2-E5 PolarHBondContact O-N 3.11Å; D2-E5 VanDerWaalsContact O-N 3.15Å; D2-E5 PolarHBondContact OD1-N 2.77Å; D2-K6 PolarHBondContact O-N 3.15Å; D2-A50 HydrophobicContact CB-CB 4.12Å
3E90Very high90Very high173 Ų17380.7 Ų80.781%0.80839%0.385SS*.Hα-helixtrans-61.9-35.3-179.3-70.8-170.2164.400111.9K6 K7E3-K6 PolarHBondContact O-N 3Å; E3-K7 WeakPolarHBondContact O-CB 3.16Å; E3-K7 PolarHBondContact O-N 3.17Å
4N90.7Very high90.1Very high50 Ų5081.4 Ų81.427%0.26739%0.387SS..Hα-helixtrans-70.3-36.6176.2-54.9-69.5000111D2 K7 A8 C46 M49 A50D2-N4 VanDerWaalsContact C-N 3.25Å; D2-N4 PolarHBondContact O-N 2.9Å; D2-N4 WeakPolarHBondContact OD1-CA 3.46Å; D2-N4 WeakPolarHBondContact OD1-CB 3.16Å; D2-N4 PolarHBondContact OD1-N 3.46Å; D2-N4 PolarHBondContact OD1-ND2 3.44Å; N4-K7 PolarHBondContact O-N 2.96Å; N4-A8 VanDerWaalsContact O-CB 3.28Å; N4-A8 WeakPolarHBondContact O-CB 3.24Å; N4-A8 PolarHBondContact O-N 3.35Å; N4-C46 HydrophobicContact CB-CB 4.44Å; N4-C46 WeakPolarHBondContact CB-O 3.38Å; N4-M49 HydrophobicContact CB-CB 4.21Å; N4-A50 HydrophobicContact CB-CB 4.23Å
5E91.7Very high90.1Very high36 Ų3676 Ų7617%0.16836%0.362CS..Hα-helixtrans-63.8-42.2175.2-165-168.2160.400111.3M1 D2 A8 R9 F47 A50M1-E5 HydrophobicContact CG-CB 4.26Å; D2-E5 HydrophobicContact CB-CB 3.98Å; D2-E5 WeakPolarHBondContact O-CB 3.33Å; D2-E5 PolarHBondContact O-N 3.11Å; D2-E5 VanDerWaalsContact O-N 3.15Å; D2-E5 PolarHBondContact OD1-N 2.77Å; E5-A8 PolarHBondContact O-N 2.98Å; E5-R9 WeakPolarHBondContact O-CG 2.99Å; E5-R9 PolarHBondContact O-N 3.44Å; E5-R9 IonicContact OE1-CZ 3.32Å; E5-R9 IonicContact OE1-NE 3.07Å; E5-R9 PolarHBondContact OE1-NE 2.91Å; E5-R9 VanDerWaalsContact OE1-NE 3.07Å; E5-R9 IonicContact OE1-NH2 2.71Å; E5-R9 PolarHBondContact OE1-NH2 3.11Å; E5-F47 HydrophobicContact CG-CD1 4.09Å; E5-F47 HydrophobicContact CG-CE1 3.78Å; E5-A50 HydrophobicContact CB-CB 4.03Å
6K92.8Very high90Very high111 Ų11177.7 Ų77.748%0.48337%0.369SS..Hα-helixtrans-58.3-51.7174.6-168.1179174.9-169.20111.1M1 D2 E3 A8 R9 E10M1-K6 HydrophobicContact CE-CB 3.64Å; M1-K6 HydrophobicContact CE-CD 3.95Å; M1-K6 HydrophobicContact CE-CG 3.56Å; M1-K6 HydrophobicContact SD-CB 4.44Å; D2-K6 PolarHBondContact O-N 3.15Å; E3-K6 PolarHBondContact O-N 3Å; K6-A8 VanDerWaalsContact C-N 3.3Å; K6-A8 PolarHBondContact O-N 2.92Å; K6-R9 PolarHBondContact O-N 3.32Å; K6-E10 VanDerWaalsContact CE-OE1 3.27Å; K6-E10 WeakPolarHBondContact CE-OE1 3.49Å; K6-E10 WeakPolarHBondContact O-CG 3.34Å; K6-E10 PolarHBondContact O-N 2.92Å
7K93.7Very high89.8Confident116 Ų11682.5 Ų82.550%0.50439%0.388SS..Hα-helixtrans-59.3-41.3178.7-175.8178.4179.8179.90111.6E3 N4 E10 L11E3-K7 WeakPolarHBondContact O-CB 3.16Å; E3-K7 PolarHBondContact O-N 3.17Å; N4-K7 PolarHBondContact O-N 2.96Å; K7-E10 PolarHBondContact O-N 2.94Å; K7-L11 HydrophobicContact CG-CD1 4.24Å; K7-L11 VanDerWaalsContact O-CG 3.26Å; K7-L11 WeakPolarHBondContact O-CG 3.4Å; K7-L11 PolarHBondContact O-N 3.14Å
8A93.5Very high89.3Confident0 Ų081.6 Ų81.60%038%0.382CS..Hα-helixtrans-60.6-48.5177.100000111.3N4 E5 K6 E10 L11 I12 A43 C46 F47N4-A8 VanDerWaalsContact O-CB 3.28Å; N4-A8 WeakPolarHBondContact O-CB 3.24Å; N4-A8 PolarHBondContact O-N 3.35Å; E5-A8 PolarHBondContact O-N 2.98Å; K6-A8 VanDerWaalsContact C-N 3.3Å; K6-A8 PolarHBondContact O-N 2.92Å; A8-E10 VanDerWaalsContact C-N 3.32Å; A8-E10 PolarHBondContact O-N 3.5Å; A8-L11 WeakPolarHBondContact O-CB 3.38Å; A8-L11 PolarHBondContact O-N 3.28Å; A8-I12 WeakPolarHBondContact O-CG1 3.41Å; A8-I12 PolarHBondContact O-N 2.99Å; A8-A43 HydrophobicContact CB-CB 4.48Å; A8-C46 HydrophobicContact CB-CB 3.62Å; A8-F47 HydrophobicContact CB-CD1 3.62Å; A8-F47 HydrophobicContact CB-CD2 3.66Å; A8-F47 HydrophobicContact CB-CE1 3.54Å; A8-F47 HydrophobicContact CB-CE2 3.58Å; A8-F47 HydrophobicContact CB-CG 3.68Å; A8-F47 HydrophobicContact CB-CZ 3.52Å
9R94.3Very high88.4Confident133 Ų13380.3 Ų80.350%0.50238%0.378SS..Hα-helixtrans-62.1-38.4178.5-69.2173.2-178.6-102.63.7112.4E5 K6 I12 A13 F47E5-R9 WeakPolarHBondContact O-CG 2.99Å; E5-R9 PolarHBondContact O-N 3.44Å; E5-R9 IonicContact OE1-CZ 3.32Å; E5-R9 IonicContact OE1-NE 3.07Å; E5-R9 PolarHBondContact OE1-NE 2.91Å; E5-R9 VanDerWaalsContact OE1-NE 3.07Å; E5-R9 IonicContact OE1-NH2 2.71Å; E5-R9 PolarHBondContact OE1-NH2 3.11Å; K6-R9 PolarHBondContact O-N 3.32Å; R9-I12 PolarHBondContact O-N 3.31Å; R9-A13 PolarHBondContact O-N 3.2Å; R9-F47 HydrophobicContact CG-CE1 4.15Å; R9-F47 HydrophobicContact CG-CZ 3.93Å
10E94.8Very high87.2Confident111 Ų11184.7 Ų84.752%0.51940%0.396SS..Hα-helixtrans-62.2-44.8174.2-72.1171.7-175.600111.6K6 K7 A8 A13 E14K6-E10 VanDerWaalsContact CE-OE1 3.27Å; K6-E10 WeakPolarHBondContact CE-OE1 3.49Å; K6-E10 WeakPolarHBondContact O-CG 3.34Å; K6-E10 PolarHBondContact O-N 2.92Å; K7-E10 PolarHBondContact O-N 2.94Å; A8-E10 VanDerWaalsContact C-N 3.32Å; A8-E10 PolarHBondContact O-N 3.5Å; E10-A13 PolarHBondContact O-N 2.9Å; E10-E14 PolarHBondContact O-N 3.12Å
11L94.9Very high85.8Confident24 Ų2490.2 Ų90.213%0.12642%0.419CS..Hα-helixtrans-62.7-41.8175.9-69.6167.1000112.4K7 A8 A13 E14 A15 L39 K42 A43K7-L11 HydrophobicContact CG-CD1 4.24Å; K7-L11 VanDerWaalsContact O-CG 3.26Å; K7-L11 WeakPolarHBondContact O-CG 3.4Å; K7-L11 PolarHBondContact O-N 3.14Å; A8-L11 WeakPolarHBondContact O-CB 3.38Å; A8-L11 PolarHBondContact O-N 3.28Å; L11-A13 VanDerWaalsContact C-N 3.35Å; L11-A13 PolarHBondContact O-N 3.36Å; L11-E14 PolarHBondContact O-N 2.9Å; L11-A15 WeakPolarHBondContact O-CB 3.32Å; L11-A15 PolarHBondContact O-N 3.17Å; L11-L39 HydrophobicContact CD2-CD2 3.63Å; L11-K42 HydrophobicContact CD1-CB 3.92Å; L11-A43 HydrophobicContact CB-CB 3.89Å; L11-A43 HydrophobicContact CD1-CB 4.48Å
12I93.5Very high85.2Confident29 Ų2985 Ų8515%0.14941%0.405CS..Hα-helixtrans-60-46.1174.4-65.4-62.9000110.7A8 R9 E14 A15 Q16 Y40 A43 F47 A59A8-I12 WeakPolarHBondContact O-CG1 3.41Å; A8-I12 PolarHBondContact O-N 2.99Å; R9-I12 PolarHBondContact O-N 3.31Å; I12-E14 VanDerWaalsContact C-N 3.29Å; I12-E14 PolarHBondContact O-N 2.75Å; I12-A15 PolarHBondContact O-N 3.02Å; I12-Q16 HydrophobicContact CG2-CG 4.39Å; I12-Q16 WeakPolarHBondContact O-CG 3.47Å; I12-Q16 PolarHBondContact O-N 2.91Å; I12-Y40 HydrophobicContact CD1-CD1 3.36Å; I12-Y40 HydrophobicContact CD1-CE1 3.62Å; I12-Y40 HydrophobicContact CG2-CE1 4.27Å; I12-A43 HydrophobicContact CD1-CB 3.47Å; I12-A43 VanDerWaalsContact CD1-CB 3.47Å; I12-A43 HydrophobicContact CG1-CB 3.74Å; I12-F47 HydrophobicContact CG1-CE2 4.03Å; I12-A59 HydrophobicContact CD1-CB 3.88Å
13A92.9Very high83.5Confident40 Ų4091.8 Ų91.833%0.33143%0.432SS..Hα-helixtrans-63.4-36.5179.400000111.9R9 E10 L11 K17R9-A13 PolarHBondContact O-N 3.2Å; E10-A13 PolarHBondContact O-N 2.9Å; L11-A13 VanDerWaalsContact C-N 3.35Å; L11-A13 PolarHBondContact O-N 3.36Å; A13-K17 VanDerWaalsContact O-CG 3.3Å; A13-K17 WeakPolarHBondContact O-CG 3.49Å; A13-K17 PolarHBondContact O-N 2.99Å
14E91.9Very high81.7Confident91 Ų9193 Ų9343%0.42544%0.435SS..Hα-helixtrans-66.9-45173.4-168-179163.500112E10 L11 I12 Q16 K17 K18 L39E10-E14 PolarHBondContact O-N 3.12Å; L11-E14 PolarHBondContact O-N 2.9Å; I12-E14 VanDerWaalsContact C-N 3.29Å; I12-E14 PolarHBondContact O-N 2.75Å; E14-Q16 VanDerWaalsContact C-N 3.34Å; E14-Q16 PolarHBondContact O-N 3.25Å; E14-K17 WeakPolarHBondContact O-CB 3.43Å; E14-K17 PolarHBondContact O-N 3.44Å; E14-K17 VanDerWaalsContact O-N 3.16Å; E14-K18 PolarHBondContact O-N 3.43Å; E14-K18 VanDerWaalsContact OE1-CE 3.31Å; E14-K18 WeakPolarHBondContact OE1-CE 3.43Å; E14-L39 HydrophobicContact CB-CD1 4.1Å; E14-L39 HydrophobicContact CG-CD1 3.81Å
15A89.8Confident79.8Confident0 Ų092.7 Ų92.70%044%0.437CS..Hα-helixtrans-58.9-45.8177.800000111.6L11 I12 K17 K18 N19 A36 L39 Y40L11-A15 WeakPolarHBondContact O-CB 3.32Å; L11-A15 PolarHBondContact O-N 3.17Å; I12-A15 PolarHBondContact O-N 3.02Å; A15-K17 VanDerWaalsContact C-N 3.33Å; A15-K17 PolarHBondContact O-N 3.37Å; A15-K18 PolarHBondContact O-N 2.93Å; A15-N19 WeakPolarHBondContact O-CB 3.48Å; A15-N19 PolarHBondContact O-N 3.48Å; A15-A36 HydrophobicContact CB-CB 4.48Å; A15-L39 HydrophobicContact CB-CB 3.71Å; A15-L39 HydrophobicContact CB-CD1 4.2Å; A15-Y40 HydrophobicContact CB-CD1 4.31Å; A15-Y40 HydrophobicContact CB-CD2 3.75Å; A15-Y40 HydrophobicContact CB-CE1 4.13Å; A15-Y40 HydrophobicContact CB-CE2 3.5Å; A15-Y40 HydrophobicContact CB-CG 4.12Å
16Q88.7Confident77.9Confident103 Ų103101.4 Ų101.448%0.48147%0.474SS..Hα-helixtrans-61.7-38.5176.8-72.6176.4-7.200112.5I12 E14 N19 K20 Y40I12-Q16 HydrophobicContact CG2-CG 4.39Å; I12-Q16 WeakPolarHBondContact O-CG 3.47Å; I12-Q16 PolarHBondContact O-N 2.91Å; E14-Q16 VanDerWaalsContact C-N 3.34Å; E14-Q16 PolarHBondContact O-N 3.25Å; Q16-N19 PolarHBondContact O-N 3.44Å; Q16-K20 PolarHBondContact O-N 2.93Å; Q16-Y40 VanDerWaalsContact CG-OH 3.31Å; Q16-Y40 WeakPolarHBondContact CG-OH 3.5Å
17K86.6Confident76Confident159 Ų15999.8 Ų99.869%0.69149%0.489SS*.Hα-helixtrans-65.8-41.2176.6-75.7172-176.1175.80111.7A13 E14 A15 N19 K20A13-K17 VanDerWaalsContact O-CG 3.3Å; A13-K17 WeakPolarHBondContact O-CG 3.49Å; A13-K17 PolarHBondContact O-N 2.99Å; E14-K17 WeakPolarHBondContact O-CB 3.43Å; E14-K17 PolarHBondContact O-N 3.44Å; E14-K17 VanDerWaalsContact O-N 3.16Å; A15-K17 VanDerWaalsContact C-N 3.33Å; A15-K17 PolarHBondContact O-N 3.37Å; K17-N19 VanDerWaalsContact C-N 3.34Å; K17-K20 PolarHBondContact O-N 3.45Å
18K80.6Confident74.1Confident66 Ų6699 Ų9929%0.28749%0.49SS..Hα-helixtrans-68.7-33.6177.7-71.9179.1-178.9-860112.4E14 A15 E35 L39E14-K18 PolarHBondContact O-N 3.43Å; E14-K18 VanDerWaalsContact OE1-CE 3.31Å; E14-K18 WeakPolarHBondContact OE1-CE 3.43Å; A15-K18 PolarHBondContact O-N 2.93Å; K18-E35 HydrophobicContact CD-CB 4.1Å; K18-E35 WeakPolarHBondContact CD-OE2 3.4Å; K18-E35 WeakPolarHBondContact CE-OE2 3.31Å; K18-E35 IonicContact NZ-OE2 2.66Å; K18-E35 PolarHBondContact NZ-OE2 2.82Å; K18-L39 HydrophobicContact CD-CD1 3.7Å
19N72.3Confident72.4Confident57 Ų57101 Ų10131%0.30551%0.51SS..Hα-helixtrans-77-18.9178.3-167.132.3000114.1A15 Q16 K17 K21 A36A15-N19 WeakPolarHBondContact O-CB 3.48Å; A15-N19 PolarHBondContact O-N 3.48Å; Q16-N19 PolarHBondContact O-N 3.44Å; K17-N19 VanDerWaalsContact C-N 3.34Å; N19-K21 PolarHBondContact O-N 2.95Å; N19-A36 HydrophobicContact CB-CB 4.46Å
20K64.8Low70.8Confident168 Ų16898.5 Ų98.573%0.7351%0.513SS*.SBendtrans-63.5108.4174.4-80.4-177.2-178.1-176.60109.6Q16 K17 G22Q16-K20 PolarHBondContact O-N 2.93Å; K17-K20 PolarHBondContact O-N 3.45Å; K20-G22 VanDerWaalsContact C-N 3.27Å; K20-G22 PolarHBondContact O-N 3.4Å
21K56.5Low69.6Low202 Ų20297.4 Ų97.488%0.87851%0.511SS*.  trans-60.788.3169.7-64.7-174.7-178.8178.80109N19 F23N19-K21 PolarHBondContact O-N 2.95Å; K21-F23 PolarHBondContact O-N 3.22Å
22G49.5Very low68.8Low47 Ų4799.9 Ų99.949%0.48552%0.521SS..  trans-56.9137.7166.300000109K20 F24 S25K20-G22 VanDerWaalsContact C-N 3.27Å; K20-G22 PolarHBondContact O-N 3.4Å; G22-F24 PolarHBondContact O-N 2.95Å; G22-S25 PolarHBondContact O-N 2.77Å; G22-S25 VanDerWaalsContact O-N 3.08Å
23F50.7Low68.4Low212 Ų21299.5 Ų99.593%0.9352%0.52SS*.THydrogen-bonded Turntrans-53.8-7.7-176.1-159-96000114.8K21K21-F23 PolarHBondContact O-N 3.22Å
24F51.6Low68.1Low198 Ų198101.5 Ų101.587%0.86853%0.525SS*.THydrogen-bonded Turntrans-114.23.7-177.3-99.1-90000115.5G22 F26G22-F24 PolarHBondContact O-N 2.95Å; F24-F26 VanDerWaalsContact C-N 3.35Å; F24-F26 PolarHBondContact O-N 3.36Å; F24-F26 VanDerWaalsContact O-N 3.16Å
25S51.8Low67.9Low44 Ų44101 Ų10131%0.30852%0.522SS..  trans-91.658-176.2-166.20000112.9G22 G27 K32G22-S25 PolarHBondContact O-N 2.77Å; G22-S25 VanDerWaalsContact O-N 3.08Å; S25-G27 PolarHBondContact O-N 3.14Å; S25-K32 PolarHBondContact OG-NZ 2.8Å
26F49.8Very low68Low218 Ų218101 Ų10196%0.95652%0.522SS*.SBendtrans-78.495171.5-162.5-93.7000108.8F24F24-F26 VanDerWaalsContact C-N 3.35Å; F24-F26 PolarHBondContact O-N 3.36Å; F24-F26 VanDerWaalsContact O-N 3.16Å
27G53.5Low68.1Low77 Ų7796.6 Ų96.679%0.79450%0.502SS*.SBendtrans125.2-12.7169.500000117.3S25S25-G27 PolarHBondContact O-N 3.14Å
28L53.6Low68.4Low101 Ų10191 Ų9153%0.52948%0.483SS..  trans-117.244.7-178.6-150.281.9000112.3
29G58Low69.1Low41 Ų4188.5 Ų88.542%0.42347%0.473SS..Hα-helixtrans-84.6-42.5-172.300000114.5T33G29-T33 PolarHBondContact O-N 2.95Å; G29-T33 PolarHBondContact O-OG1 3.1Å
30S61.2Low70.2Confident81 Ų8186.1 Ų86.157%0.56646%0.459SS*.Hα-helixtrans-65.9-47.9-173.4530000112.6K32 T33 D34 Q70S30-K32 VanDerWaalsContact C-N 3.32Å; S30-K32 PolarHBondContact O-N 2.99Å; S30-T33 WeakPolarHBondContact O-CA 3.44Å; S30-T33 WeakPolarHBondContact O-CB 3.29Å; S30-T33 PolarHBondContact O-N 3.35Å; S30-D34 PolarHBondContact O-N 2.61Å; S30-Q70 PolarHBondContact O-NE2 3.33Å
31D68.7Low71.7Confident87 Ų8781.2 Ų81.247%0.46544%0.439SS..Hα-helixtrans-60.3-40.4-176.2-162.829.1000112T33 D34 E35D31-T33 VanDerWaalsContact C-N 3.3Å; D31-T33 PolarHBondContact O-N 2.96Å; D31-D34 PolarHBondContact O-N 3.3Å; D31-E35 WeakPolarHBondContact O-CG 3.38Å; D31-E35 PolarHBondContact O-N 3.03Å; D31-E35 VanDerWaalsContact O-N 3.07Å
32K79.6Confident73.5Confident77 Ų7777 Ų7734%0.33542%0.421SS..Hα-helixtrans-66.8-31.9175.6-65.9-178.5-179169.90112.8S25 S30 A36S25-K32 PolarHBondContact OG-NZ 2.8Å; S30-K32 VanDerWaalsContact C-N 3.32Å; S30-K32 PolarHBondContact O-N 2.99Å; K32-A36 WeakPolarHBondContact O-CB 3.17Å; K32-A36 PolarHBondContact O-N 3.42Å; K32-A36 VanDerWaalsContact O-N 3.11Å
33T84Confident75.7Confident21 Ų2174.8 Ų74.813%0.12940%0.398CS..Hα-helixtrans-75.6-39.4178-59.60000111G29 S30 D31 E35 A36 I37 L66 Q70G29-T33 PolarHBondContact O-N 2.95Å; G29-T33 PolarHBondContact O-OG1 3.1Å; S30-T33 WeakPolarHBondContact O-CA 3.44Å; S30-T33 WeakPolarHBondContact O-CB 3.29Å; S30-T33 PolarHBondContact O-N 3.35Å; D31-T33 VanDerWaalsContact C-N 3.3Å; D31-T33 PolarHBondContact O-N 2.96Å; T33-E35 PolarHBondContact O-N 2.95Å; T33-A36 WeakPolarHBondContact O-CB 3.45Å; T33-A36 PolarHBondContact O-N 3.45Å; T33-I37 HydrophobicContact CG2-CD1 4.09Å; T33-I37 VanDerWaalsContact O-CG1 3.31Å; T33-I37 WeakPolarHBondContact O-CG1 3.48Å; T33-I37 PolarHBondContact O-N 2.9Å; T33-L66 HydrophobicContact CG2-CB 4Å; T33-L66 HydrophobicContact CG2-CD2 4.22Å; T33-L66 HydrophobicContact CG2-CG 4.49Å; T33-Q70 VanDerWaalsContact CB-NE2 3.31Å; T33-Q70 VanDerWaalsContact CG2-CD 3.43Å; T33-Q70 HydrophobicContact CG2-CG 3.64Å
34D86.8Confident77.8Confident81 Ų8164.7 Ų64.743%0.43335%0.353SS..Hα-helixtrans-60.6-45.5174-68.5-34000111.3S30 D31 A36 I37 S38 Q70S30-D34 PolarHBondContact O-N 2.61Å; D31-D34 PolarHBondContact O-N 3.3Å; D34-A36 VanDerWaalsContact C-N 3.33Å; D34-A36 PolarHBondContact O-N 3.32Å; D34-I37 PolarHBondContact O-N 3.11Å; D34-S38 PolarHBondContact O-N 3.44Å; D34-Q70 VanDerWaalsContact CG-NE2 3.29Å; D34-Q70 PolarHBondContact OD1-NE2 2.96Å; D34-Q70 PolarHBondContact OD1-OE1 2.92Å; D34-Q70 VanDerWaalsContact OD1-OE1 3.13Å
35E88.5Confident79.9Confident80 Ų8058.6 Ų58.637%0.37433%0.33SS..Hα-helixtrans-60.4-42.6174.3-72.8-174.8169.700112.1K18 D31 T33 S38 L39K18-E35 HydrophobicContact CD-CB 4.1Å; K18-E35 WeakPolarHBondContact CD-OE2 3.4Å; K18-E35 WeakPolarHBondContact CE-OE2 3.31Å; K18-E35 IonicContact NZ-OE2 2.66Å; K18-E35 PolarHBondContact NZ-OE2 2.82Å; D31-E35 WeakPolarHBondContact O-CG 3.38Å; D31-E35 PolarHBondContact O-N 3.03Å; D31-E35 VanDerWaalsContact O-N 3.07Å; T33-E35 PolarHBondContact O-N 2.95Å; E35-S38 PolarHBondContact O-N 3.01Å; E35-L39 VanDerWaalsContact O-CG 3.3Å; E35-L39 WeakPolarHBondContact O-CG 3.34Å; E35-L39 PolarHBondContact O-N 3.23Å
36A90.8Very high81.9Confident0 Ų056.8 Ų56.80%032%0.318CS..Hα-helixtrans-63.1-43.2177.700000111.7A15 N19 K32 T33 D34 L39 Y40 L66A15-A36 HydrophobicContact CB-CB 4.48Å; N19-A36 HydrophobicContact CB-CB 4.46Å; K32-A36 WeakPolarHBondContact O-CB 3.17Å; K32-A36 PolarHBondContact O-N 3.42Å; K32-A36 VanDerWaalsContact O-N 3.11Å; T33-A36 WeakPolarHBondContact O-CB 3.45Å; T33-A36 PolarHBondContact O-N 3.45Å; D34-A36 VanDerWaalsContact C-N 3.33Å; D34-A36 PolarHBondContact O-N 3.32Å; A36-L39 WeakPolarHBondContact O-CB 3.29Å; A36-L39 PolarHBondContact O-N 2.92Å; A36-Y40 WeakPolarHBondContact O-CD2 3.21Å; A36-Y40 PolarHBondContact O-N 3.29Å; A36-L66 HydrophobicContact CB-CD1 3.98Å
37I91.9Very high84.1Confident11 Ų1146.6 Ų46.66%0.05627%0.273CS..Hα-helixtrans-57.7-50.9175.7-70.5161.4000110.4T33 D34 L39 Y40 E41 A63 L66T33-I37 HydrophobicContact CG2-CD1 4.09Å; T33-I37 VanDerWaalsContact O-CG1 3.31Å; T33-I37 WeakPolarHBondContact O-CG1 3.48Å; T33-I37 PolarHBondContact O-N 2.9Å; D34-I37 PolarHBondContact O-N 3.11Å; I37-L39 VanDerWaalsContact C-N 3.26Å; I37-L39 PolarHBondContact O-N 3.45Å; I37-Y40 WeakPolarHBondContact O-CB 3.48Å; I37-Y40 PolarHBondContact O-N 3.12Å; I37-Y40 VanDerWaalsContact O-N 3.07Å; I37-E41 PolarHBondContact O-N 2.84Å; I37-A63 HydrophobicContact CG2-CB 4.21Å; I37-L66 HydrophobicContact CD1-CB 3.9Å; I37-L66 HydrophobicContact CG1-CB 3.51Å; I37-L66 HydrophobicContact CG1-CD1 4.11Å; I37-L66 HydrophobicContact CG1-CG 4.48Å
38S93Very high85.9Confident41 Ų4146.6 Ų46.629%0.28725%0.251SS..Hα-helixtrans-61.5-34.5179130.30000112.4D34 E35 K42D34-S38 PolarHBondContact O-N 3.44Å; E35-S38 PolarHBondContact O-N 3.01Å; S38-K42 WeakPolarHBondContact O-CB 3.41Å; S38-K42 VanDerWaalsContact O-CG 3.27Å; S38-K42 WeakPolarHBondContact O-CG 3.39Å; S38-K42 PolarHBondContact O-N 2.6Å
39L94.8Very high87.8Confident14 Ų1446.8 Ų46.87%0.07325%0.25CS..Hα-helixtrans-67.2-42173.8-71.9170.3000112.1L11 E14 A15 K18 E35 A36 I37 K42 A43L11-L39 HydrophobicContact CD2-CD2 3.63Å; E14-L39 HydrophobicContact CB-CD1 4.1Å; E14-L39 HydrophobicContact CG-CD1 3.81Å; A15-L39 HydrophobicContact CB-CB 3.71Å; A15-L39 HydrophobicContact CB-CD1 4.2Å; K18-L39 HydrophobicContact CD-CD1 3.7Å; E35-L39 VanDerWaalsContact O-CG 3.3Å; E35-L39 WeakPolarHBondContact O-CG 3.34Å; E35-L39 PolarHBondContact O-N 3.23Å; A36-L39 WeakPolarHBondContact O-CB 3.29Å; A36-L39 PolarHBondContact O-N 2.92Å; I37-L39 VanDerWaalsContact C-N 3.26Å; I37-L39 PolarHBondContact O-N 3.45Å; L39-K42 PolarHBondContact O-N 2.82Å; L39-A43 WeakPolarHBondContact O-CB 3.49Å; L39-A43 PolarHBondContact O-N 2.97Å
40Y96.2Very high89.4Confident7 Ų745.8 Ų45.83%0.02724%0.238CC..Hα-helixtrans-62.7-41.6174.6-80.5-65.4000112.3I12 A15 Q16 A36 I37 A43 G44 E62 L66I12-Y40 HydrophobicContact CD1-CD1 3.36Å; I12-Y40 HydrophobicContact CD1-CE1 3.62Å; I12-Y40 HydrophobicContact CG2-CE1 4.27Å; A15-Y40 HydrophobicContact CB-CD1 4.31Å; A15-Y40 HydrophobicContact CB-CD2 3.75Å; A15-Y40 HydrophobicContact CB-CE1 4.13Å; A15-Y40 HydrophobicContact CB-CE2 3.5Å; A15-Y40 HydrophobicContact CB-CG 4.12Å; Q16-Y40 VanDerWaalsContact CG-OH 3.31Å; Q16-Y40 WeakPolarHBondContact CG-OH 3.5Å; A36-Y40 WeakPolarHBondContact O-CD2 3.21Å; A36-Y40 PolarHBondContact O-N 3.29Å; I37-Y40 WeakPolarHBondContact O-CB 3.48Å; I37-Y40 PolarHBondContact O-N 3.12Å; I37-Y40 VanDerWaalsContact O-N 3.07Å; Y40-A43 PolarHBondContact O-N 2.96Å; Y40-G44 PolarHBondContact O-N 2.92Å; Y40-E62 HydrophobicContact CD1-CB 3.65Å; Y40-E62 HydrophobicContact CD1-CG 4.36Å; Y40-E62 HydrophobicContact CD2-CB 4.18Å; Y40-E62 HydrophobicContact CE1-CB 3.58Å; Y40-E62 HydrophobicContact CE1-CG 3.92Å; Y40-E62 HydrophobicContact CE2-CB 4.14Å; Y40-E62 HydrophobicContact CG-CB 3.97Å; Y40-L66 HydrophobicContact CD2-CD1 3.76Å; Y40-L66 HydrophobicContact CE2-CD1 3.62Å
41E95.1Very high90.8Very high66 Ų6648.4 Ų48.431%0.30824%0.241SC..Hα-helixtrans-61.4-46.4174.7-71.4174.4-153.300112.4I37 A43 G44 N45 A63 H79I37-E41 PolarHBondContact O-N 2.84Å; E41-A43 VanDerWaalsContact C-N 3.3Å; E41-A43 PolarHBondContact O-N 3.19Å; E41-G44 PolarHBondContact O-N 3.05Å; E41-N45 PolarHBondContact O-N 3.37Å; E41-N45 PolarHBondContact O-ND2 3.46Å; E41-A63 HydrophobicContact CG-CB 4.41Å; E41-H79 VanDerWaalsContact CD-CE1 3.46Å; E41-H79 IonicContact OE1-CE1 2.71Å; E41-H79 PolarHBondContact OE1-CE1 3.22Å; E41-H79 IonicContact OE1-ND1 3.71Å; E41-H79 IonicContact OE1-NE2 3.77Å; E41-H79 PolarHBondContact OE1-NE2 2.97Å
42K95.2Very high91.9Very high113 Ų11346.3 Ų46.349%0.49123%0.23SC..Hα-helixtrans-61.9-41.1177-73.2170.2-175.2167.60110.9L11 S38 L39 N45 C46L11-K42 HydrophobicContact CD1-CB 3.92Å; S38-K42 WeakPolarHBondContact O-CB 3.41Å; S38-K42 VanDerWaalsContact O-CG 3.27Å; S38-K42 WeakPolarHBondContact O-CG 3.39Å; S38-K42 PolarHBondContact O-N 2.6Å; L39-K42 PolarHBondContact O-N 2.82Å; K42-N45 PolarHBondContact O-N 3.28Å; K42-C46 PolarHBondContact O-N 2.93Å; K42-C46 PolarHBondContact O-SG 3.36Å
43A95.4Very high92.6Very high0 Ų044.8 Ų44.80%022%0.222CC..Hα-helixtrans-62.3-46.1174.600000111.5A8 L11 I12 L39 Y40 E41 N45 C46 F47 A59A8-A43 HydrophobicContact CB-CB 4.48Å; L11-A43 HydrophobicContact CB-CB 3.89Å; L11-A43 HydrophobicContact CD1-CB 4.48Å; I12-A43 HydrophobicContact CD1-CB 3.47Å; I12-A43 VanDerWaalsContact CD1-CB 3.47Å; I12-A43 HydrophobicContact CG1-CB 3.74Å; L39-A43 WeakPolarHBondContact O-CB 3.49Å; L39-A43 PolarHBondContact O-N 2.97Å; Y40-A43 PolarHBondContact O-N 2.96Å; E41-A43 VanDerWaalsContact C-N 3.3Å; E41-A43 PolarHBondContact O-N 3.19Å; A43-N45 VanDerWaalsContact C-N 3.32Å; A43-N45 PolarHBondContact O-N 3.24Å; A43-C46 WeakPolarHBondContact O-CB 3.39Å; A43-C46 PolarHBondContact O-N 3.25Å; A43-C46 VanDerWaalsContact O-N 3.08Å; A43-F47 VanDerWaalsContact O-CD2 3.28Å; A43-F47 WeakPolarHBondContact O-CD2 3.47Å; A43-F47 PolarHBondContact O-N 3.34Å; A43-A59 HydrophobicContact CB-CB 4.43Å
44G94.5Very high93Very high0 Ų046.3 Ų46.30%023%0.232CC..Hα-helixtrans-57.3-43.717600000112.5Y40 E41 F47 K48 A56Y40-G44 PolarHBondContact O-N 2.92Å; E41-G44 PolarHBondContact O-N 3.05Å; G44-F47 PolarHBondContact O-N 3.45Å; G44-K48 WeakPolarHBondContact O-CG 3.33Å; G44-K48 PolarHBondContact O-N 3.04Å; G44-A56 WeakPolarHBondContact O-CB 3.37Å
45N94.8Very high93.3Very high70 Ų7045.9 Ų45.937%0.37423%0.227SC..Hα-helixtrans-66-36.6174.5-72.4-38.3000113.1E41 K42 A43 K48 M49E41-N45 PolarHBondContact O-N 3.37Å; E41-N45 PolarHBondContact O-ND2 3.46Å; K42-N45 PolarHBondContact O-N 3.28Å; A43-N45 VanDerWaalsContact C-N 3.32Å; A43-N45 PolarHBondContact O-N 3.24Å; N45-K48 WeakPolarHBondContact O-CB 3.13Å; N45-K48 PolarHBondContact O-N 3.03Å; N45-M49 WeakPolarHBondContact O-CG 3.36Å; N45-M49 PolarHBondContact O-N 3.43Å; N45-M49 VanDerWaalsContact O-N 3.09Å
46C95.2Very high93.5Very high7 Ų742.1 Ų42.15%0.04721%0.209CC..Hα-helixtrans-66.2-41.8174.1-66.80000112N4 A8 K42 A43 K48 M49 A50N4-C46 HydrophobicContact CB-CB 4.44Å; N4-C46 WeakPolarHBondContact CB-O 3.38Å; A8-C46 HydrophobicContact CB-CB 3.62Å; K42-C46 PolarHBondContact O-N 2.93Å; K42-C46 PolarHBondContact O-SG 3.36Å; A43-C46 WeakPolarHBondContact O-CB 3.39Å; A43-C46 PolarHBondContact O-N 3.25Å; A43-C46 VanDerWaalsContact O-N 3.08Å; C46-K48 VanDerWaalsContact C-N 3.33Å; C46-K48 PolarHBondContact O-N 3.36Å; C46-M49 HydrophobicContact CB-CE 4.28Å; C46-M49 PolarHBondContact O-N 3.01Å; C46-A50 PolarHBondContact O-N 3.47Å
47F94.9Very high93.7Very high3 Ų342.1 Ų42.11%0.01321%0.209CC..Hα-helixtrans-63.9-36.3173.3-74.9-55.1000112.6E5 A8 R9 I12 A43 G44 M49 A50 H51 N52 E55 A56 A59E5-F47 HydrophobicContact CG-CD1 4.09Å; E5-F47 HydrophobicContact CG-CE1 3.78Å; A8-F47 HydrophobicContact CB-CD1 3.62Å; A8-F47 HydrophobicContact CB-CD2 3.66Å; A8-F47 HydrophobicContact CB-CE1 3.54Å; A8-F47 HydrophobicContact CB-CE2 3.58Å; A8-F47 HydrophobicContact CB-CG 3.68Å; A8-F47 HydrophobicContact CB-CZ 3.52Å; R9-F47 HydrophobicContact CG-CE1 4.15Å; R9-F47 HydrophobicContact CG-CZ 3.93Å; I12-F47 HydrophobicContact CG1-CE2 4.03Å; A43-F47 VanDerWaalsContact O-CD2 3.28Å; A43-F47 WeakPolarHBondContact O-CD2 3.47Å; A43-F47 PolarHBondContact O-N 3.34Å; G44-F47 PolarHBondContact O-N 3.45Å; F47-M49 VanDerWaalsContact C-N 3.34Å; F47-M49 PolarHBondContact O-N 2.92Å; F47-A50 CarbonylContact O-C 3.45Å; F47-A50 PolarHBondContact O-N 3.2Å; F47-H51 PolarHBondContact O-N 3.45Å; F47-H51 VanDerWaalsContact O-N 3.15Å; F47-N52 HydrophobicContact CB-CB 4.49Å; F47-N52 HydrophobicContact CD1-CB 4.2Å; F47-N52 PolarHBondContact O-N 3.31Å; F47-E55 HydrophobicContact CB-CB 4.45Å; F47-E55 HydrophobicContact CD1-CB 3.76Å; F47-E55 HydrophobicContact CD2-CB 3.85Å; F47-E55 HydrophobicContact CE1-CB 3.83Å; F47-E55 HydrophobicContact CE1-CG 4.36Å; F47-E55 HydrophobicContact CE2-CB 3.92Å; F47-E55 HydrophobicContact CG-CB 3.78Å; F47-E55 HydrophobicContact CZ-CB 3.91Å; F47-E55 HydrophobicContact CZ-CG 4.49Å; F47-A56 HydrophobicContact CB-CB 3.64Å; F47-A59 HydrophobicContact CD2-CB 4.42Å
48K92.4Very high93.8Very high78 Ų7843.9 Ų43.934%0.33922%0.219SC..Hα-helixtrans-59.4-43.1171.4-74170.666.21800112G44 N45 C46 A50 H51 W53 A56 F60 V86G44-K48 WeakPolarHBondContact O-CG 3.33Å; G44-K48 PolarHBondContact O-N 3.04Å; N45-K48 WeakPolarHBondContact O-CB 3.13Å; N45-K48 PolarHBondContact O-N 3.03Å; C46-K48 VanDerWaalsContact C-N 3.33Å; C46-K48 PolarHBondContact O-N 3.36Å; K48-A50 VanDerWaalsContact C-N 3.28Å; K48-A50 PolarHBondContact O-N 2.83Å; K48-H51 PolarHBondContact O-N 3.4Å; K48-H51 VanDerWaalsContact O-N 3.09Å; K48-W53 HydrophobicContact CB-CZ3 4.11Å; K48-W53 HydrophobicContact CG-CE3 4.37Å; K48-W53 HydrophobicContact CG-CZ3 4.11Å; K48-A56 HydrophobicContact CG-CB 3.84Å; K48-F60 HydrophobicContact CD-CE2 3.89Å; K48-F60 HydrophobicContact CD-CZ 4.2Å; K48-V86 HydrophobicContact CD-CG1 3.57Å; K48-V86 HydrophobicContact CG-CG1 3.58Å
49M92.5Very high93.9Very high104 Ų10442 Ų4251%0.51221%0.206SC..Hα-helixtrans-65.8-32.3176.7-68.7-176.3-68.800112N4 N45 C46 F47 H51N4-M49 HydrophobicContact CB-CB 4.21Å; N45-M49 WeakPolarHBondContact O-CG 3.36Å; N45-M49 PolarHBondContact O-N 3.43Å; N45-M49 VanDerWaalsContact O-N 3.09Å; C46-M49 HydrophobicContact CB-CE 4.28Å; C46-M49 PolarHBondContact O-N 3.01Å; F47-M49 VanDerWaalsContact C-N 3.34Å; F47-M49 PolarHBondContact O-N 2.92Å; M49-H51 PolarHBondContact O-CD2 3.01Å; M49-H51 PolarHBondContact O-N 3.07Å
50A92.3Very high94Very high20 Ų2041.6 Ų41.617%0.16520%0.204CC..THydrogen-bonded Turntrans-80.34.4172.700000114.1D2 N4 E5 C46 F47 K48 N52D2-A50 HydrophobicContact CB-CB 4.12Å; N4-A50 HydrophobicContact CB-CB 4.23Å; E5-A50 HydrophobicContact CB-CB 4.03Å; C46-A50 PolarHBondContact O-N 3.47Å; F47-A50 CarbonylContact O-C 3.45Å; F47-A50 PolarHBondContact O-N 3.2Å; K48-A50 VanDerWaalsContact C-N 3.28Å; K48-A50 PolarHBondContact O-N 2.83Å; A50-N52 PolarHBondContact O-N 3.05Å; A50-N52 VanDerWaalsContact O-N 3.08Å
51H90.5Very high94Very high136 Ų13642.4 Ų42.463%0.6321%0.208SC*.THydrogen-bonded Turntrans55.720.4-173.6-64-100000114.8F47 K48 M49 W53F47-H51 PolarHBondContact O-N 3.45Å; F47-H51 VanDerWaalsContact O-N 3.15Å; K48-H51 PolarHBondContact O-N 3.4Å; K48-H51 VanDerWaalsContact O-N 3.09Å; M49-H51 PolarHBondContact O-CD2 3.01Å; M49-H51 PolarHBondContact O-N 3.07Å; H51-W53 HydrophobicContact CB-CZ2 4.22Å; H51-W53 AromaticContact ND1-CZ2 3.44Å; H51-W53 WeakPolarHBondContact ND1-CZ2 3.31Å; H51-W53 PolarHBondContact O-N 3.48Å; H51-W53 PolarHBondContact O-NE1 3.4Å
52N91.9Very high94Very high43 Ų4343.2 Ų43.223%0.2321%0.212CC..  trans-91.481.9175.3-170.7-19000109.4F47 A50 E55 A56F47-N52 HydrophobicContact CB-CB 4.49Å; F47-N52 HydrophobicContact CD1-CB 4.2Å; F47-N52 PolarHBondContact O-N 3.31Å; A50-N52 PolarHBondContact O-N 3.05Å; A50-N52 VanDerWaalsContact O-N 3.08Å; N52-E55 WeakPolarHBondContact ND2-CG 3.44Å; N52-E55 WeakPolarHBondContact OD1-CB 3.45Å; N52-E55 WeakPolarHBondContact OD1-CG 3.38Å; N52-E55 PolarHBondContact OD1-N 3.26Å; N52-A56 WeakPolarHBondContact O-CB 3.42Å; N52-A56 PolarHBondContact O-N 2.75Å
53W93Very high94Very high45 Ų4537.8 Ų37.817%0.1719%0.188CC..Hα-helixtrans-70.2-38.1-169.5-47.9111.4000113.4K48 H51 A56 G57 V86 K89 D90K48-W53 HydrophobicContact CB-CZ3 4.11Å; K48-W53 HydrophobicContact CG-CE3 4.37Å; K48-W53 HydrophobicContact CG-CZ3 4.11Å; H51-W53 HydrophobicContact CB-CZ2 4.22Å; H51-W53 AromaticContact ND1-CZ2 3.44Å; H51-W53 WeakPolarHBondContact ND1-CZ2 3.31Å; H51-W53 PolarHBondContact O-N 3.48Å; H51-W53 PolarHBondContact O-NE1 3.4Å; W53-A56 WeakPolarHBondContact O-CB 3.39Å; W53-A56 PolarHBondContact O-N 3.07Å; W53-G57 PolarHBondContact O-N 2.76Å; W53-V86 HydrophobicContact CE3-CB 4.34Å; W53-V86 HydrophobicContact CE3-CG1 4.37Å; W53-K89 HydrophobicContact CD2-CD 3.87Å; W53-K89 HydrophobicContact CE3-CD 4.38Å; W53-K89 HydrophobicContact CG-CB 4.39Å; W53-K89 HydrophobicContact CG-CD 4.19Å; W53-K89 VanDerWaalsContact CH2-NZ 3.32Å; W53-K89 HydrophobicContact CZ2-CD 4.05Å; W53-D90 WeakPolarHBondContact CB-OD2 3.47Å
54T92.8Very high93.9Very high54 Ų5437.8 Ų37.833%0.33119%0.188SC..Hα-helixtrans-59.6-49.7176.3-66.60000111.9G57 N58 D90T54-G57 PolarHBondContact O-N 3.48Å; T54-N58 PolarHBondContact O-N 3.35Å; T54-N58 PolarHBondContact O-ND2 3.41Å; T54-D90 PolarHBondContact N-OD2 2.88Å; T54-D90 PolarHBondContact OG1-OD2 3.34Å
55E93.1Very high93.8Very high72 Ų7241 Ų4134%0.33621%0.205SC..Hα-helixtrans-68.6-35.5178.3-69.5-58.2133.500112.2F47 N52 G57 N58 A59F47-E55 HydrophobicContact CB-CB 4.45Å; F47-E55 HydrophobicContact CD1-CB 3.76Å; F47-E55 HydrophobicContact CD2-CB 3.85Å; F47-E55 HydrophobicContact CE1-CB 3.83Å; F47-E55 HydrophobicContact CE1-CG 4.36Å; F47-E55 HydrophobicContact CE2-CB 3.92Å; F47-E55 HydrophobicContact CG-CB 3.78Å; F47-E55 HydrophobicContact CZ-CB 3.91Å; F47-E55 HydrophobicContact CZ-CG 4.49Å; N52-E55 WeakPolarHBondContact ND2-CG 3.44Å; N52-E55 WeakPolarHBondContact OD1-CB 3.45Å; N52-E55 WeakPolarHBondContact OD1-CG 3.38Å; N52-E55 PolarHBondContact OD1-N 3.26Å; E55-G57 VanDerWaalsContact C-N 3.31Å; E55-G57 PolarHBondContact O-N 3.13Å; E55-N58 PolarHBondContact O-N 3Å; E55-A59 WeakPolarHBondContact O-CB 3.41Å; E55-A59 PolarHBondContact O-N 2.92Å
56A93.8Very high93.7Very high0 Ų038.2 Ų38.20%019%0.191CC..Hα-helixtrans-58.2-45.5171.400000111.7G44 F47 K48 N52 W53 A59 F60 V86G44-A56 WeakPolarHBondContact O-CB 3.37Å; F47-A56 HydrophobicContact CB-CB 3.64Å; K48-A56 HydrophobicContact CG-CB 3.84Å; N52-A56 WeakPolarHBondContact O-CB 3.42Å; N52-A56 PolarHBondContact O-N 2.75Å; W53-A56 WeakPolarHBondContact O-CB 3.39Å; W53-A56 PolarHBondContact O-N 3.07Å; A56-A59 PolarHBondContact O-N 2.97Å; A56-F60 WeakPolarHBondContact O-CD2 3.4Å; A56-F60 PolarHBondContact O-N 2.91Å; A56-F60 VanDerWaalsContact O-N 3.11Å; A56-V86 HydrophobicContact CB-CB 4.33Å; A56-V86 HydrophobicContact CB-CG1 4.39Å; A56-V86 HydrophobicContact CB-CG2 4.16Å
57G94.1Very high93.5Very high0 Ų038 Ų380%019%0.189CC..Hα-helixtrans-62.5-44.6178.300000112.6W53 T54 E55 A59 F60 L61W53-G57 PolarHBondContact O-N 2.76Å; T54-G57 PolarHBondContact O-N 3.48Å; E55-G57 VanDerWaalsContact C-N 3.31Å; E55-G57 PolarHBondContact O-N 3.13Å; G57-A59 VanDerWaalsContact C-N 3.33Å; G57-A59 PolarHBondContact O-N 3.28Å; G57-F60 PolarHBondContact O-N 3.39Å; G57-L61 WeakPolarHBondContact O-CG 3.17Å; G57-L61 PolarHBondContact O-N 2.98Å
58N94.2Very high93.3Very high48 Ų4841.1 Ų41.126%0.25721%0.205SC..Hα-helixtrans-61.3-41.7176.1-67.3-23.4000111.7T54 E55 F60 L61 E62 K94T54-N58 PolarHBondContact O-N 3.35Å; T54-N58 PolarHBondContact O-ND2 3.41Å; E55-N58 PolarHBondContact O-N 3Å; N58-F60 PolarHBondContact O-N 3.28Å; N58-L61 WeakPolarHBondContact O-CB 3.31Å; N58-L61 PolarHBondContact O-N 3.43Å; N58-E62 PolarHBondContact O-N 3.01Å; N58-K94 PolarHBondContact OD1-NZ 3.34Å
59A95.4Very high93.1Very high2 Ų241.2 Ų41.22%0.01722%0.216CC..Hα-helixtrans-60.6-44.7176.300000112.1I12 A43 F47 E55 A56 G57 L61 E62 A63I12-A59 HydrophobicContact CD1-CB 3.88Å; A43-A59 HydrophobicContact CB-CB 4.43Å; F47-A59 HydrophobicContact CD2-CB 4.42Å; E55-A59 WeakPolarHBondContact O-CB 3.41Å; E55-A59 PolarHBondContact O-N 2.92Å; A56-A59 PolarHBondContact O-N 2.97Å; G57-A59 VanDerWaalsContact C-N 3.33Å; G57-A59 PolarHBondContact O-N 3.28Å; A59-L61 VanDerWaalsContact C-N 3.33Å; A59-L61 PolarHBondContact O-N 3.45Å; A59-E62 PolarHBondContact O-N 3.27Å; A59-A63 PolarHBondContact O-N 3.31Å; A59-A63 VanDerWaalsContact O-N 3.12Å
60F97Very high92.8Very high6 Ų638.7 Ų38.73%0.02620%0.203CC..Hα-helixtrans-67.1-32.2174.8-69.3-58.2000113.1K48 A56 G57 N58 A63 A64 N82 A83 V86K48-F60 HydrophobicContact CD-CE2 3.89Å; K48-F60 HydrophobicContact CD-CZ 4.2Å; A56-F60 WeakPolarHBondContact O-CD2 3.4Å; A56-F60 PolarHBondContact O-N 2.91Å; A56-F60 VanDerWaalsContact O-N 3.11Å; G57-F60 PolarHBondContact O-N 3.39Å; N58-F60 PolarHBondContact O-N 3.28Å; F60-A63 WeakPolarHBondContact O-CB 3.45Å; F60-A63 PolarHBondContact O-N 2.9Å; F60-A64 WeakPolarHBondContact O-CB 3.11Å; F60-A64 PolarHBondContact O-N 2.89Å; F60-N82 HydrophobicContact CD1-CB 4.09Å; F60-N82 HydrophobicContact CD2-CB 4.34Å; F60-N82 HydrophobicContact CE1-CB 4.36Å; F60-N82 HydrophobicContact CG-CB 4.09Å; F60-A83 HydrophobicContact CB-CB 3.77Å; F60-V86 HydrophobicContact CD2-CG2 4.18Å; F60-V86 HydrophobicContact CE2-CG1 4.35Å
61L96.2Very high92.4Very high24 Ų2446.5 Ų46.513%0.12623%0.233CC..Hα-helixtrans-65.7-40.1174.7-75.4170.5000112.3G57 N58 A59 A64 N65 Y80 A83 L87G57-L61 WeakPolarHBondContact O-CG 3.17Å; G57-L61 PolarHBondContact O-N 2.98Å; N58-L61 WeakPolarHBondContact O-CB 3.31Å; N58-L61 PolarHBondContact O-N 3.43Å; A59-L61 VanDerWaalsContact C-N 3.33Å; A59-L61 PolarHBondContact O-N 3.45Å; L61-A64 WeakPolarHBondContact O-CB 3.27Å; L61-A64 PolarHBondContact O-N 2.78Å; L61-N65 PolarHBondContact O-N 2.83Å; L61-N65 PolarHBondContact O-ND2 3.2Å; L61-Y80 HydrophobicContact CD2-CD1 3.59Å; L61-Y80 HydrophobicContact CD2-CE1 3.57Å; L61-A83 HydrophobicContact CD2-CB 4.09Å; L61-A83 HydrophobicContact CG-CB 3.93Å; L61-L87 HydrophobicContact CD1-CD1 4.17Å
62E94.6Very high92.4Very high82 Ų8241.7 Ų41.738%0.38322%0.215SC..Hα-helixtrans-63-44.3173.3-69.9-58.613000111.2Y40 N58 A59 A64 N65 L66Y40-E62 HydrophobicContact CD1-CB 3.65Å; Y40-E62 HydrophobicContact CD1-CG 4.36Å; Y40-E62 HydrophobicContact CD2-CB 4.18Å; Y40-E62 HydrophobicContact CE1-CB 3.58Å; Y40-E62 HydrophobicContact CE1-CG 3.92Å; Y40-E62 HydrophobicContact CE2-CB 4.14Å; Y40-E62 HydrophobicContact CG-CB 3.97Å; N58-E62 PolarHBondContact O-N 3.01Å; A59-E62 PolarHBondContact O-N 3.27Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 2.9Å; E62-N65 PolarHBondContact O-N 2.88Å; E62-L66 WeakPolarHBondContact O-CG 3.11Å; E62-L66 PolarHBondContact O-N 3.48Å
63A94.6Very high92.4Very high0 Ų043.8 Ų43.80%022%0.222CC..Hα-helixtrans-57.1-43172.500000112.2I37 E41 A59 F60 L66 S67 H79I37-A63 HydrophobicContact CG2-CB 4.21Å; E41-A63 HydrophobicContact CG-CB 4.41Å; A59-A63 PolarHBondContact O-N 3.31Å; A59-A63 VanDerWaalsContact O-N 3.12Å; F60-A63 WeakPolarHBondContact O-CB 3.45Å; F60-A63 PolarHBondContact O-N 2.9Å; A63-L66 PolarHBondContact O-N 3.42Å; A63-S67 WeakPolarHBondContact O-CB 3.41Å; A63-S67 PolarHBondContact O-N 3.39Å; A63-S67 PolarHBondContact O-OG 2.92Å; A63-H79 HydrophobicContact CB-CB 4.39Å
64A94.5Very high92.4Very high0 Ų046.2 Ų46.20%024%0.235CC..Hα-helixtrans-62.7-47.2177.900000112.3F60 L61 E62 L66 S67 L68 H79 Y80F60-A64 WeakPolarHBondContact O-CB 3.11Å; F60-A64 PolarHBondContact O-N 2.89Å; L61-A64 WeakPolarHBondContact O-CB 3.27Å; L61-A64 PolarHBondContact O-N 2.78Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 2.9Å; A64-L66 VanDerWaalsContact C-N 3.33Å; A64-L66 PolarHBondContact O-N 3.36Å; A64-S67 PolarHBondContact O-N 3.42Å; A64-L68 PolarHBondContact O-N 3.16Å; A64-H79 HydrophobicContact CB-CB 3.53Å; A64-Y80 HydrophobicContact CB-CD1 3.8Å; A64-Y80 HydrophobicContact CB-CD2 3.97Å; A64-Y80 HydrophobicContact CB-CE1 3.66Å; A64-Y80 HydrophobicContact CB-CE2 3.89Å; A64-Y80 HydrophobicContact CB-CG 3.92Å
65N92.6Very high92.4Very high66 Ų6647 Ų4735%0.35324%0.237SC..Hα-helixtrans-64.7-38.6-179.3-67-24.8000111.6L61 E62 L68 S69 Y80L61-N65 PolarHBondContact O-N 2.83Å; L61-N65 PolarHBondContact O-ND2 3.2Å; E62-N65 PolarHBondContact O-N 2.88Å; N65-L68 PolarHBondContact O-N 3.35Å; N65-S69 PolarHBondContact O-N 3.21Å; N65-S69 VanDerWaalsContact O-N 3.11Å; N65-Y80 PolarHBondContact OD1-OH 3.03Å
66L91.2Very high92.5Very high13 Ų1343.6 Ų43.67%0.06822%0.221CC..Hα-helixtrans-66.9-42.8174.2-71.2-178.7000112T33 A36 I37 Y40 E62 A63 A64 L68 S69 Q70T33-L66 HydrophobicContact CG2-CB 4Å; T33-L66 HydrophobicContact CG2-CD2 4.22Å; T33-L66 HydrophobicContact CG2-CG 4.49Å; A36-L66 HydrophobicContact CB-CD1 3.98Å; I37-L66 HydrophobicContact CD1-CB 3.9Å; I37-L66 HydrophobicContact CG1-CB 3.51Å; I37-L66 HydrophobicContact CG1-CD1 4.11Å; I37-L66 HydrophobicContact CG1-CG 4.48Å; Y40-L66 HydrophobicContact CD2-CD1 3.76Å; Y40-L66 HydrophobicContact CE2-CD1 3.62Å; E62-L66 WeakPolarHBondContact O-CG 3.11Å; E62-L66 PolarHBondContact O-N 3.48Å; A63-L66 PolarHBondContact O-N 3.42Å; A64-L66 VanDerWaalsContact C-N 3.33Å; A64-L66 PolarHBondContact O-N 3.36Å; L66-L68 VanDerWaalsContact C-N 3.29Å; L66-L68 PolarHBondContact O-N 3.16Å; L66-S69 WeakPolarHBondContact O-CA 3.25Å; L66-S69 WeakPolarHBondContact O-CB 3.36Å; L66-S69 PolarHBondContact O-N 3.41Å; L66-S69 PolarHBondContact O-OG 2.9Å; L66-Q70 PolarHBondContact O-N 3.37Å; L66-Q70 VanDerWaalsContact O-N 3.13Å
67S92.3Very high92.6Very high2 Ų243.6 Ų43.61%0.01422%0.221CC..Hα-helixtrans-59.9-40176.2-59.70000111.9A63 A64 S69 Q70 K71 S72 H79A63-S67 WeakPolarHBondContact O-CB 3.41Å; A63-S67 PolarHBondContact O-N 3.39Å; A63-S67 PolarHBondContact O-OG 2.92Å; A64-S67 PolarHBondContact O-N 3.42Å; S67-S69 VanDerWaalsContact C-N 3.33Å; S67-S69 PolarHBondContact O-N 3.06Å; S67-Q70 PolarHBondContact O-N 3.49Å; S67-K71 PolarHBondContact O-N 3.48Å; S67-S72 PolarHBondContact O-N 2.75Å; S67-H79 PolarHBondContact OG-CD2 3.37Å; S67-H79 VanDerWaalsContact OG-CD2 3.23Å
68L89.6Confident92.6Very high68 Ų6845.8 Ų45.836%0.35623%0.234SC..Hα-helixtrans-61-41.5172.1-77.2-179.8000112.1A64 N65 L66 Q70 K71 A76 Y80 I105A64-L68 PolarHBondContact O-N 3.16Å; N65-L68 PolarHBondContact O-N 3.35Å; L66-L68 VanDerWaalsContact C-N 3.29Å; L66-L68 PolarHBondContact O-N 3.16Å; L68-Q70 PolarHBondContact O-N 3.04Å; L68-K71 WeakPolarHBondContact O-CA 3.48Å; L68-K71 PolarHBondContact O-N 3.3Å; L68-A76 HydrophobicContact CB-CB 4.45Å; L68-A76 HydrophobicContact CD2-CB 3.52Å; L68-A76 HydrophobicContact CG-CB 3.56Å; L68-Y80 HydrophobicContact CD1-CE2 3.92Å; L68-Y80 WeakPolarHBondContact CD1-OH 3.43Å; L68-Y80 HydrophobicContact CG-CE2 4.49Å; L68-I105 HydrophobicContact CD2-CD1 3.9Å; L68-I105 HydrophobicContact CD2-CG1 4.43Å
69S88Confident92.8Very high80 Ų8043.9 Ų43.956%0.55922%0.224SC*.Hα-helixtrans-63.5-27.6178.883.30000113N65 L66 S67 K71N65-S69 PolarHBondContact O-N 3.21Å; N65-S69 VanDerWaalsContact O-N 3.11Å; L66-S69 WeakPolarHBondContact O-CA 3.25Å; L66-S69 WeakPolarHBondContact O-CB 3.36Å; L66-S69 PolarHBondContact O-N 3.41Å; L66-S69 PolarHBondContact O-OG 2.9Å; S67-S69 VanDerWaalsContact C-N 3.33Å; S67-S69 PolarHBondContact O-N 3.06Å; S69-K71 VanDerWaalsContact C-N 3.3Å
70Q86.3Confident92.9Very high51 Ų5144 Ų4424%0.23822%0.224CC..THydrogen-bonded Turntrans-87.32.9173.4-69.1178.7-46.600113.5S30 T33 D34 L66 S67 L68 S72S30-Q70 PolarHBondContact O-NE2 3.33Å; T33-Q70 VanDerWaalsContact CB-NE2 3.31Å; T33-Q70 VanDerWaalsContact CG2-CD 3.43Å; T33-Q70 HydrophobicContact CG2-CG 3.64Å; D34-Q70 VanDerWaalsContact CG-NE2 3.29Å; D34-Q70 PolarHBondContact OD1-NE2 2.96Å; D34-Q70 PolarHBondContact OD1-OE1 2.92Å; D34-Q70 VanDerWaalsContact OD1-OE1 3.13Å; L66-Q70 PolarHBondContact O-N 3.37Å; L66-Q70 VanDerWaalsContact O-N 3.13Å; S67-Q70 PolarHBondContact O-N 3.49Å; L68-Q70 PolarHBondContact O-N 3.04Å; Q70-S72 PolarHBondContact O-N 3.39Å
71K85.3Confident92.9Very high185 Ų18544.9 Ų44.980%0.80423%0.23SC*.THydrogen-bonded Turntrans62.617.8-174.4-50.7178.1179.21800113.7S67 L68 S69 K73S67-K71 PolarHBondContact O-N 3.48Å; L68-K71 WeakPolarHBondContact O-CA 3.48Å; L68-K71 PolarHBondContact O-N 3.3Å; S69-K71 VanDerWaalsContact C-N 3.3Å; K71-K73 VanDerWaalsContact C-N 3.35Å; K71-K73 PolarHBondContact O-N 2.97Å
72S90.1Very high92.8Very high34 Ų3446.3 Ų46.324%0.23824%0.238CC..  trans-81.584.2171.2-167.90000109.9S67 Q70 H74 D75 A76S67-S72 PolarHBondContact O-N 2.75Å; Q70-S72 PolarHBondContact O-N 3.39Å; S72-H74 PolarHBondContact O-N 3.27Å; S72-D75 PolarHBondContact OG-OD2 3.42Å; S72-A76 WeakPolarHBondContact O-CB 3.41Å; S72-A76 PolarHBondContact O-N 3.43Å
73K92.6Very high92.9Very high87 Ų8742.4 Ų42.438%0.37822%0.219SC..Hα-helixtrans-60.4-43.6-178.9-71.1-165.3-179.9-165.60112.2K71 D75 A76 A77 I105 E108 M109K71-K73 VanDerWaalsContact C-N 3.35Å; K71-K73 PolarHBondContact O-N 2.97Å; K73-D75 PolarHBondContact O-N 2.98Å; K73-A76 PolarHBondContact O-N 3.44Å; K73-A77 WeakPolarHBondContact O-CB 3.4Å; K73-A77 PolarHBondContact O-N 3.36Å; K73-I105 HydrophobicContact CB-CG2 3.69Å; K73-I105 HydrophobicContact CD-CG2 4.45Å; K73-I105 HydrophobicContact CG-CG2 4.29Å; K73-I105 VanDerWaalsContact O-CG2 3.28Å; K73-I105 WeakPolarHBondContact O-CG2 3.47Å; K73-E108 IonicContact NZ-OE2 3.68Å; K73-E108 PolarHBondContact NZ-OE2 2.88Å; K73-M109 HydrophobicContact CB-CG 4.14Å; K73-M109 HydrophobicContact CB-SD 3.58Å; K73-M109 VanDerWaalsContact CB-SD 3.58Å; K73-M109 HydrophobicContact CD-CG 4.06Å
74H92.2Very high92.9Very high96 Ų9642.5 Ų42.544%0.44422%0.22SC..Hα-helixtrans-61.3-46.4-178.3-178.2-86.1000112.1S72 A77 T78 M109S72-H74 PolarHBondContact O-N 3.27Å; H74-A77 PolarHBondContact O-N 3.4Å; H74-T78 PolarHBondContact O-N 3.2Å; H74-T78 PolarHBondContact O-OG1 3.19Å; H74-M109 HydrophobicContact CB-CE 3.96Å
75D92.5Very high92.9Very high72 Ų7247.7 Ų47.739%0.38525%0.247SC..Hα-helixtrans-71.1-41.8-177.4-56.7-26.5000110.3S72 K73 A77 T78 H79S72-D75 PolarHBondContact OG-OD2 3.42Å; K73-D75 PolarHBondContact O-N 2.98Å; D75-A77 PolarHBondContact O-N 2.95Å; D75-T78 WeakPolarHBondContact O-CB 3.24Å; D75-T78 PolarHBondContact O-N 2.93Å; D75-T78 VanDerWaalsContact O-N 3.14Å; D75-H79 PolarHBondContact O-CD2 3.26Å; D75-H79 PolarHBondContact O-N 3.14Å
76A94.6Very high93Very high0 Ų044.8 Ų44.80%023%0.232CC..Hα-helixtrans-53.8-49.8172.500000112.8L68 S72 K73 T78 H79 Y80 I105L68-A76 HydrophobicContact CB-CB 4.45Å; L68-A76 HydrophobicContact CD2-CB 3.52Å; L68-A76 HydrophobicContact CG-CB 3.56Å; S72-A76 WeakPolarHBondContact O-CB 3.41Å; S72-A76 PolarHBondContact O-N 3.43Å; K73-A76 PolarHBondContact O-N 3.44Å; A76-T78 VanDerWaalsContact C-N 3.33Å; A76-T78 PolarHBondContact O-N 3.26Å; A76-H79 PolarHBondContact O-N 3.44Å; A76-Y80 WeakPolarHBondContact O-CD2 3.37Å; A76-Y80 PolarHBondContact O-N 3.22Å; A76-I105 HydrophobicContact CB-CD1 4.13Å
77A96.1Very high93.1Very high0 Ų044.2 Ų44.20%023%0.229CC..Hα-helixtrans-61.5-42.6177.800000111.6K73 H74 D75 H79 Y80 V81 I105 Y106K73-A77 WeakPolarHBondContact O-CB 3.4Å; K73-A77 PolarHBondContact O-N 3.36Å; H74-A77 PolarHBondContact O-N 3.4Å; D75-A77 PolarHBondContact O-N 2.95Å; A77-H79 PolarHBondContact O-N 2.91Å; A77-Y80 PolarHBondContact O-N 3.31Å; A77-V81 WeakPolarHBondContact O-CG2 3.45Å; A77-V81 PolarHBondContact O-N 3.27Å; A77-I105 HydrophobicContact CB-CB 4.06Å; A77-I105 HydrophobicContact CB-CD1 4.29Å; A77-I105 HydrophobicContact CB-CG2 3.88Å; A77-Y106 HydrophobicContact CB-CD1 4.35Å; A77-Y106 HydrophobicContact CB-CD2 4.09Å; A77-Y106 HydrophobicContact CB-CE1 3.91Å; A77-Y106 HydrophobicContact CB-CE2 3.64Å; A77-Y106 HydrophobicContact CB-CG 4.43Å
78T95.7Very high93Very high45 Ų4547.2 Ų47.228%0.27624%0.242SC..Hα-helixtrans-61.3-43.1176.6-58.10000111.9H74 D75 A76 V81 N82H74-T78 PolarHBondContact O-N 3.2Å; H74-T78 PolarHBondContact O-OG1 3.19Å; D75-T78 WeakPolarHBondContact O-CB 3.24Å; D75-T78 PolarHBondContact O-N 2.93Å; D75-T78 VanDerWaalsContact O-N 3.14Å; A76-T78 VanDerWaalsContact C-N 3.33Å; A76-T78 PolarHBondContact O-N 3.26Å; T78-V81 PolarHBondContact O-N 3.43Å; T78-N82 PolarHBondContact O-N 3.5Å; T78-N82 PolarHBondContact O-ND2 2.88Å
79H96.8Very high92.9Very high9 Ų950.3 Ų50.34%0.04225%0.252CS..Hα-helixtrans-66-38.9176.1-66.5-44.2000112.7E41 A63 A64 S67 D75 A76 A77 V81 N82 A83E41-H79 VanDerWaalsContact CD-CE1 3.46Å; E41-H79 IonicContact OE1-CE1 2.71Å; E41-H79 PolarHBondContact OE1-CE1 3.22Å; E41-H79 IonicContact OE1-ND1 3.71Å; E41-H79 IonicContact OE1-NE2 3.77Å; E41-H79 PolarHBondContact OE1-NE2 2.97Å; A63-H79 HydrophobicContact CB-CB 4.39Å; A64-H79 HydrophobicContact CB-CB 3.53Å; S67-H79 PolarHBondContact OG-CD2 3.37Å; S67-H79 VanDerWaalsContact OG-CD2 3.23Å; D75-H79 PolarHBondContact O-CD2 3.26Å; D75-H79 PolarHBondContact O-N 3.14Å; A76-H79 PolarHBondContact O-N 3.44Å; A77-H79 PolarHBondContact O-N 2.91Å; H79-V81 VanDerWaalsContact C-N 3.34Å; H79-V81 PolarHBondContact O-N 3.39Å; H79-N82 PolarHBondContact O-N 2.98Å; H79-A83 WeakPolarHBondContact O-CB 3.28Å; H79-A83 PolarHBondContact O-N 3.4Å
80Y97.9Very high92.9Very high4 Ų450.3 Ų50.32%0.01625%0.246CC..Hα-helixtrans-62-41.1172.3-77.8-53.5000112.3L61 A64 N65 L68 A76 A77 A83 S84 C98 K101 I105L61-Y80 HydrophobicContact CD2-CD1 3.59Å; L61-Y80 HydrophobicContact CD2-CE1 3.57Å; A64-Y80 HydrophobicContact CB-CD1 3.8Å; A64-Y80 HydrophobicContact CB-CD2 3.97Å; A64-Y80 HydrophobicContact CB-CE1 3.66Å; A64-Y80 HydrophobicContact CB-CE2 3.89Å; A64-Y80 HydrophobicContact CB-CG 3.92Å; N65-Y80 PolarHBondContact OD1-OH 3.03Å; L68-Y80 HydrophobicContact CD1-CE2 3.92Å; L68-Y80 WeakPolarHBondContact CD1-OH 3.43Å; L68-Y80 HydrophobicContact CG-CE2 4.49Å; A76-Y80 WeakPolarHBondContact O-CD2 3.37Å; A76-Y80 PolarHBondContact O-N 3.22Å; A77-Y80 PolarHBondContact O-N 3.31Å; Y80-A83 PolarHBondContact O-N 3.07Å; Y80-S84 PolarHBondContact O-N 3.32Å; Y80-C98 WeakPolarHBondContact CB-O 3.31Å; Y80-C98 WeakPolarHBondContact O-CB 3.41Å; Y80-K101 HydrophobicContact CD1-CB 4.3Å; Y80-K101 HydrophobicContact CD1-CD 4.18Å; Y80-K101 HydrophobicContact CD2-CB 3.95Å; Y80-K101 HydrophobicContact CE1-CB 4.4Å; Y80-K101 HydrophobicContact CE1-CD 3.62Å; Y80-K101 HydrophobicContact CE2-CB 4.01Å; Y80-K101 HydrophobicContact CE2-CD 4.19Å; Y80-K101 HydrophobicContact CG-CB 4.11Å; Y80-I105 HydrophobicContact CD2-CD1 3.77Å; Y80-I105 HydrophobicContact CE2-CD1 3.81Å
81V97.3Very high93.2Very high24 Ų2451 Ų5115%0.14525%0.252CS..Hα-helixtrans-62.9-45.7174.2174.30000110.6A77 T78 H79 A83 S84 L85 L99 A102 Y106 H118A77-V81 WeakPolarHBondContact O-CG2 3.45Å; A77-V81 PolarHBondContact O-N 3.27Å; T78-V81 PolarHBondContact O-N 3.43Å; H79-V81 VanDerWaalsContact C-N 3.34Å; H79-V81 PolarHBondContact O-N 3.39Å; V81-A83 VanDerWaalsContact C-N 3.33Å; V81-A83 PolarHBondContact O-N 3.37Å; V81-S84 WeakPolarHBondContact O-CB 3.5Å; V81-S84 PolarHBondContact O-N 3.21Å; V81-S84 VanDerWaalsContact O-N 3.09Å; V81-S84 PolarHBondContact O-OG 3.27Å; V81-L85 HydrophobicContact CG1-CD1 4.48Å; V81-L85 WeakPolarHBondContact O-CG 3.3Å; V81-L85 PolarHBondContact O-N 2.77Å; V81-L99 HydrophobicContact CG2-CD2 4.42Å; V81-A102 HydrophobicContact CG2-CB 3.75Å; V81-Y106 HydrophobicContact CG2-CE2 4.4Å; V81-H118 WeakPolarHBondContact CG2-CE1 3.44Å
82N94.7Very high93.6Very high54 Ų5443.7 Ų43.729%0.28922%0.223SC..Hα-helixtrans-60.8-41176.7-74.4-31.7000112.5F60 T78 H79 S84 L85 V86F60-N82 HydrophobicContact CD1-CB 4.09Å; F60-N82 HydrophobicContact CD2-CB 4.34Å; F60-N82 HydrophobicContact CE1-CB 4.36Å; F60-N82 HydrophobicContact CG-CB 4.09Å; T78-N82 PolarHBondContact O-N 3.5Å; T78-N82 PolarHBondContact O-ND2 2.88Å; H79-N82 PolarHBondContact O-N 2.98Å; N82-S84 VanDerWaalsContact C-N 3.34Å; N82-L85 PolarHBondContact O-N 2.84Å; N82-V86 PolarHBondContact O-N 3.3Å
83A95.5Very high93.8Very high0 Ų048.4 Ų48.40%024%0.239CC..Hα-helixtrans-60.4-43.9172.500000111.2F60 L61 H79 Y80 V81 L85 V86 L87F60-A83 HydrophobicContact CB-CB 3.77Å; L61-A83 HydrophobicContact CD2-CB 4.09Å; L61-A83 HydrophobicContact CG-CB 3.93Å; H79-A83 WeakPolarHBondContact O-CB 3.28Å; H79-A83 PolarHBondContact O-N 3.4Å; Y80-A83 PolarHBondContact O-N 3.07Å; V81-A83 VanDerWaalsContact C-N 3.33Å; V81-A83 PolarHBondContact O-N 3.37Å; A83-L85 VanDerWaalsContact C-N 3.34Å; A83-L85 PolarHBondContact O-N 3.1Å; A83-V86 WeakPolarHBondContact O-CG2 3.47Å; A83-V86 PolarHBondContact O-N 2.92Å; A83-L87 HydrophobicContact CB-CD1 4.32Å; A83-L87 VanDerWaalsContact O-CB 3.28Å; A83-L87 WeakPolarHBondContact O-CB 3.43Å; A83-L87 WeakPolarHBondContact O-CD1 3.37Å; A83-L87 WeakPolarHBondContact O-CG 3.34Å; A83-L87 PolarHBondContact O-N 3.03Å
84S95.8Very high93.8Very high3 Ų346.7 Ų46.72%0.02123%0.232CC..Hα-helixtrans-61.2-40.6179.379.10000113Y80 V81 N82 V86 L87 K88 S95 L99Y80-S84 PolarHBondContact O-N 3.32Å; V81-S84 WeakPolarHBondContact O-CB 3.5Å; V81-S84 PolarHBondContact O-N 3.21Å; V81-S84 VanDerWaalsContact O-N 3.09Å; V81-S84 PolarHBondContact O-OG 3.27Å; N82-S84 VanDerWaalsContact C-N 3.34Å; S84-V86 VanDerWaalsContact C-N 3.32Å; S84-V86 PolarHBondContact O-N 2.91Å; S84-L87 PolarHBondContact O-N 3.47Å; S84-K88 WeakPolarHBondContact O-CB 3.44Å; S84-K88 PolarHBondContact O-N 3.44Å; S84-S95 WeakPolarHBondContact CA-OG 3.42Å; S84-S95 WeakPolarHBondContact CB-O 3.33Å; S84-S95 WeakPolarHBondContact CB-OG 3.46Å; S84-S95 WeakPolarHBondContact O-CB 3.43Å; S84-S95 PolarHBondContact O-OG 3.11Å; S84-L99 VanDerWaalsContact OG-CD2 3.31Å; S84-L99 WeakPolarHBondContact OG-CD2 3.31Å
85L94Very high93.9Very high108 Ų10842.2 Ų42.257%0.56521%0.211SC*.Hα-helixtrans-64.4-37.5-177.8-71.2174.6000112.2V81 N82 A83V81-L85 HydrophobicContact CG1-CD1 4.48Å; V81-L85 WeakPolarHBondContact O-CG 3.3Å; V81-L85 PolarHBondContact O-N 2.77Å; N82-L85 PolarHBondContact O-N 2.84Å; A83-L85 VanDerWaalsContact C-N 3.34Å; A83-L85 PolarHBondContact O-N 3.1Å
86V93.6Very high94.2Very high5 Ų539.2 Ų39.23%0.0320%0.195CC..Hα-helixtrans-80.3-42.4177.3-61.90000111.3K48 W53 A56 F60 N82 A83 S84 K88 K89K48-V86 HydrophobicContact CD-CG1 3.57Å; K48-V86 HydrophobicContact CG-CG1 3.58Å; W53-V86 HydrophobicContact CE3-CB 4.34Å; W53-V86 HydrophobicContact CE3-CG1 4.37Å; A56-V86 HydrophobicContact CB-CB 4.33Å; A56-V86 HydrophobicContact CB-CG1 4.39Å; A56-V86 HydrophobicContact CB-CG2 4.16Å; F60-V86 HydrophobicContact CD2-CG2 4.18Å; F60-V86 HydrophobicContact CE2-CG1 4.35Å; N82-V86 PolarHBondContact O-N 3.3Å; A83-V86 WeakPolarHBondContact O-CG2 3.47Å; A83-V86 PolarHBondContact O-N 2.92Å; S84-V86 VanDerWaalsContact C-N 3.32Å; S84-V86 PolarHBondContact O-N 2.91Å; V86-K88 VanDerWaalsContact C-N 3.29Å; V86-K88 PolarHBondContact O-N 3.28Å; V86-K89 PolarHBondContact O-N 3.41Å
87L93.3Very high94.2Very high1 Ų145.1 Ų45.11%0.00522%0.222CC..Hα-helixtrans-68.3-26.8-177.8-70.4169.3000112.8L61 A83 S84 K89 D90 D91 K94L61-L87 HydrophobicContact CD1-CD1 4.17Å; A83-L87 HydrophobicContact CB-CD1 4.32Å; A83-L87 VanDerWaalsContact O-CB 3.28Å; A83-L87 WeakPolarHBondContact O-CB 3.43Å; A83-L87 WeakPolarHBondContact O-CD1 3.37Å; A83-L87 WeakPolarHBondContact O-CG 3.34Å; A83-L87 PolarHBondContact O-N 3.03Å; S84-L87 PolarHBondContact O-N 3.47Å; L87-K89 PolarHBondContact O-N 2.85Å; L87-D90 PolarHBondContact O-N 2.98Å; L87-D91 CarbonylContact O-C 3.52Å; L87-D91 VanDerWaalsContact O-C 3.31Å; L87-D91 PolarHBondContact O-N 3.44Å; L87-K94 HydrophobicContact CD1-CD 3.97Å; L87-K94 HydrophobicContact CD1-CG 3.98Å; L87-K94 HydrophobicContact CD2-CD 4.16Å
88K91.8Very high94.3Very high65 Ų6545.3 Ų45.328%0.28322%0.224SC..THydrogen-bonded Turntrans-51.7-30.5178.8-179.4173.2174.81640113.1S84 V86 I125 D129S84-K88 WeakPolarHBondContact O-CB 3.44Å; S84-K88 PolarHBondContact O-N 3.44Å; V86-K88 VanDerWaalsContact C-N 3.29Å; V86-K88 PolarHBondContact O-N 3.28Å; K88-I125 HydrophobicContact CD-CD1 4.1Å; K88-I125 HydrophobicContact CD-CG1 3.95Å; K88-I125 HydrophobicContact CG-CD1 4.45Å; K88-I125 HydrophobicContact CG-CG1 4.43Å; K88-D129 WeakPolarHBondContact CE-OD2 3.35Å; K88-D129 IonicContact NZ-OD2 3.85Å
89K86.3Confident94.4Very high134 Ų13443.2 Ų43.258%0.58321%0.211SC*.THydrogen-bonded Turntrans-74.9-33.5-178.8-64.2-176.5179.4-177.10114.1W53 V86 L87W53-K89 HydrophobicContact CD2-CD 3.87Å; W53-K89 HydrophobicContact CE3-CD 4.38Å; W53-K89 HydrophobicContact CG-CB 4.39Å; W53-K89 HydrophobicContact CG-CD 4.19Å; W53-K89 VanDerWaalsContact CH2-NZ 3.32Å; W53-K89 HydrophobicContact CZ2-CD 4.05Å; V86-K89 PolarHBondContact O-N 3.41Å; L87-K89 PolarHBondContact O-N 2.85Å
90D88.4Confident94.4Very high80 Ų8045 Ų4543%0.42822%0.223SC..THydrogen-bonded Turntrans-103.2-41.2-175.1-71-1.2000111.4W53 T54 L87W53-D90 WeakPolarHBondContact CB-OD2 3.47Å; T54-D90 PolarHBondContact N-OD2 2.88Å; T54-D90 PolarHBondContact OG1-OD2 3.34Å; L87-D90 PolarHBondContact O-N 2.98Å
91D92.2Very high94.4Very high66 Ų6649.1 Ų49.135%0.35324%0.24SC..  trans-143.390-175.4-172.1-19.1000110.6L87 K93 K94 S95L87-D91 CarbonylContact O-C 3.52Å; L87-D91 VanDerWaalsContact O-C 3.31Å; L87-D91 PolarHBondContact O-N 3.44Å; D91-K93 PolarHBondContact O-N 2.86Å; D91-K93 WeakPolarHBondContact OD1-CB 3.46Å; D91-K93 PolarHBondContact OD1-N 3.14Å; D91-K94 HydrophobicContact CB-CB 3.94Å; D91-K94 VanDerWaalsContact CG-CB 3.44Å; D91-K94 PolarHBondContact O-N 3.09Å; D91-K94 PolarHBondContact OD1-N 3.3Å; D91-K94 WeakPolarHBondContact OD2-CB 3.38Å; D91-S95 PolarHBondContact O-N 3.34Å
92P93.8Very high94.4Very high30 Ų3048 Ų4820%0.19523%0.234CC..Hα-helixtrans-57.3-33.5176.5-25.433.6000113.4S95 I96 I125 D129 L130P92-S95 WeakPolarHBondContact O-CB 3.48Å; P92-S95 PolarHBondContact O-N 3.43Å; P92-I96 WeakPolarHBondContact O-CG1 3.42Å; P92-I96 PolarHBondContact O-N 3.18Å; P92-I125 HydrophobicContact CB-CG2 3.7Å; P92-D129 HydrophobicContact CB-CB 4.13Å; P92-D129 HydrophobicContact CG-CB 4.09Å; P92-L130 HydrophobicContact CB-CD2 4.14Å; P92-L130 HydrophobicContact CB-CG 4.37Å
93K94.2Very high94.5Very high134 Ų13446 Ų4658%0.58322%0.223SC*.Hα-helixtrans-69.3-42.5179.8-67.7-176.1179.4-179.70111.2D91 S95 I96 Q97 L130D91-K93 PolarHBondContact O-N 2.86Å; D91-K93 WeakPolarHBondContact OD1-CB 3.46Å; D91-K93 PolarHBondContact OD1-N 3.14Å; K93-S95 VanDerWaalsContact C-N 3.31Å; K93-I96 WeakPolarHBondContact O-CB 3.38Å; K93-I96 PolarHBondContact O-N 2.96Å; K93-Q97 WeakPolarHBondContact O-CG 3.49Å; K93-Q97 PolarHBondContact O-N 3.18Å; K93-L130 HydrophobicContact CG-CD1 4.03Å; K93-L130 HydrophobicContact CG-CD2 4.09Å
94K93.4Very high94.6Very high51 Ų5151.2 Ų51.222%0.22225%0.247CC..Hα-helixtrans-66.8-34.9174.8-163179.3175.8-175.50111.5N58 L87 D91 Q97 C98N58-K94 PolarHBondContact OD1-NZ 3.34Å; L87-K94 HydrophobicContact CD1-CD 3.97Å; L87-K94 HydrophobicContact CD1-CG 3.98Å; L87-K94 HydrophobicContact CD2-CD 4.16Å; D91-K94 HydrophobicContact CB-CB 3.94Å; D91-K94 VanDerWaalsContact CG-CB 3.44Å; D91-K94 PolarHBondContact O-N 3.09Å; D91-K94 PolarHBondContact OD1-N 3.3Å; D91-K94 WeakPolarHBondContact OD2-CB 3.38Å; K94-Q97 PolarHBondContact O-N 2.85Å; K94-C98 PolarHBondContact O-N 3.15Å; K94-C98 PolarHBondContact O-SG 3.48Å
95S94.9Very high94.6Very high1 Ų151.7 Ų51.71%0.00725%0.249CC..Hα-helixtrans-58-46.8170.8-175.20000112S84 D91 P92 K93 Q97 C98 L99S84-S95 WeakPolarHBondContact CA-OG 3.42Å; S84-S95 WeakPolarHBondContact CB-O 3.33Å; S84-S95 WeakPolarHBondContact CB-OG 3.46Å; S84-S95 WeakPolarHBondContact O-CB 3.43Å; S84-S95 PolarHBondContact O-OG 3.11Å; D91-S95 PolarHBondContact O-N 3.34Å; P92-S95 WeakPolarHBondContact O-CB 3.48Å; P92-S95 PolarHBondContact O-N 3.43Å; K93-S95 VanDerWaalsContact C-N 3.31Å; S95-Q97 PolarHBondContact O-N 3.28Å; S95-C98 WeakPolarHBondContact O-CB 3.42Å; S95-C98 PolarHBondContact O-N 3.36Å; S95-C98 VanDerWaalsContact O-N 3.15Å; S95-L99 PolarHBondContact O-N 2.97Å
96I97.3Very high94.8Very high9 Ų947.2 Ų47.25%0.04623%0.225CC..Hα-helixtrans-58.4-46.8175.1-68.4165.2000110.9P92 K93 C98 L99 T100 I122 I125 Y126 L130P92-I96 WeakPolarHBondContact O-CG1 3.42Å; P92-I96 PolarHBondContact O-N 3.18Å; K93-I96 WeakPolarHBondContact O-CB 3.38Å; K93-I96 PolarHBondContact O-N 2.96Å; I96-C98 VanDerWaalsContact C-N 3.25Å; I96-C98 PolarHBondContact O-N 3.47Å; I96-L99 PolarHBondContact O-N 3.25Å; I96-L99 VanDerWaalsContact O-N 3.12Å; I96-T100 PolarHBondContact O-N 2.98Å; I96-T100 PolarHBondContact O-OG1 3.38Å; I96-I122 HydrophobicContact CG1-CG2 4.14Å; I96-I122 HydrophobicContact CG2-CD1 4.37Å; I96-I122 HydrophobicContact CG2-CG1 4.37Å; I96-I122 HydrophobicContact CG2-CG2 3.88Å; I96-I125 HydrophobicContact CD1-CB 4.26Å; I96-I125 HydrophobicContact CD1-CG2 3.69Å; I96-I125 HydrophobicContact CG1-CB 4.26Å; I96-I125 HydrophobicContact CG1-CD1 4.17Å; I96-I125 HydrophobicContact CG1-CG2 3.92Å; I96-Y126 HydrophobicContact CD1-CD1 4.14Å; I96-Y126 HydrophobicContact CD1-CD2 4.11Å; I96-Y126 HydrophobicContact CD1-CE1 3.85Å; I96-Y126 HydrophobicContact CD1-CE2 3.79Å; I96-Y126 HydrophobicContact CD1-CG 4.27Å; I96-Y126 HydrophobicContact CG2-CE2 4.19Å; I96-L130 HydrophobicContact CD1-CD1 3.56Å
97Q96.1Very high94.9Very high125 Ų12548.6 Ų48.658%0.58423%0.234SC*.Hα-helixtrans-57.6-38.8177.3-68.5174.79.600112.6K93 K94 S95 K101K93-Q97 WeakPolarHBondContact O-CG 3.49Å; K93-Q97 PolarHBondContact O-N 3.18Å; K94-Q97 PolarHBondContact O-N 2.85Å; S95-Q97 PolarHBondContact O-N 3.28Å; Q97-K101 WeakPolarHBondContact O-CG 3.49Å; Q97-K101 PolarHBondContact O-N 2.71Å
98C96.8Very high95Very high4 Ų455 Ų553%0.02726%0.263CS..Hα-helixtrans-66.2-46.1176-60.50000111.2Y80 K94 S95 I96 T100 K101 A102Y80-C98 WeakPolarHBondContact CB-O 3.31Å; Y80-C98 WeakPolarHBondContact O-CB 3.41Å; K94-C98 PolarHBondContact O-N 3.15Å; K94-C98 PolarHBondContact O-SG 3.48Å; S95-C98 WeakPolarHBondContact O-CB 3.42Å; S95-C98 PolarHBondContact O-N 3.36Å; S95-C98 VanDerWaalsContact O-N 3.15Å; I96-C98 VanDerWaalsContact C-N 3.25Å; I96-C98 PolarHBondContact O-N 3.47Å; C98-T100 VanDerWaalsContact C-N 3.34Å; C98-T100 PolarHBondContact O-N 2.74Å; C98-K101 PolarHBondContact O-N 2.7Å; C98-A102 PolarHBondContact O-N 3.03Å
99L98.1Very high95.1Very high1 Ų154.2 Ų54.21%0.00526%0.261CS..Hα-helixtrans-63.3-39177-72.8169.1000112.1V81 S84 S95 I96 K101 A102 I103 H118 T121 I122 I125V81-L99 HydrophobicContact CG2-CD2 4.42Å; S84-L99 VanDerWaalsContact OG-CD2 3.31Å; S84-L99 WeakPolarHBondContact OG-CD2 3.31Å; S95-L99 PolarHBondContact O-N 2.97Å; I96-L99 PolarHBondContact O-N 3.25Å; I96-L99 VanDerWaalsContact O-N 3.12Å; L99-K101 PolarHBondContact O-N 3.22Å; L99-A102 WeakPolarHBondContact O-CB 3.48Å; L99-A102 PolarHBondContact O-N 3.33Å; L99-A102 VanDerWaalsContact O-N 3.16Å; L99-I103 WeakPolarHBondContact O-CB 3.45Å; L99-I103 VanDerWaalsContact O-CG1 3.28Å; L99-I103 WeakPolarHBondContact O-CG1 3.47Å; L99-I103 PolarHBondContact O-N 2.93Å; L99-H118 HydrophobicContact CD2-CB 4.25Å; L99-T121 HydrophobicContact CD1-CG2 3.8Å; L99-I122 HydrophobicContact CB-CD1 3.66Å; L99-I122 HydrophobicContact CB-CG1 3.62Å; L99-I122 HydrophobicContact CD1-CG1 3.74Å; L99-I122 HydrophobicContact CG-CG1 4.32Å; L99-I125 HydrophobicContact CD1-CD1 3.99Å
100T97.7Very high95.5Very high47 Ų4749.5 Ų49.529%0.28825%0.251SS..Hα-helixtrans-60-44.8176.1-59.20000111.2I96 C98 A102 I103 E104I96-T100 PolarHBondContact O-N 2.98Å; I96-T100 PolarHBondContact O-OG1 3.38Å; C98-T100 VanDerWaalsContact C-N 3.34Å; C98-T100 PolarHBondContact O-N 2.74Å; T100-A102 VanDerWaalsContact C-N 3.34Å; T100-A102 PolarHBondContact O-N 2.75Å; T100-I103 WeakPolarHBondContact O-CB 3.44Å; T100-I103 PolarHBondContact O-N 3.06Å; T100-E104 WeakPolarHBondContact O-CG 3.34Å; T100-E104 PolarHBondContact O-N 3.3Å
101K96.8Very high95.8Very high90 Ų9052 Ų5239%0.39125%0.254SS..Hα-helixtrans-62.1-40.9173.7-71.1-176.8177.7-173.60112.4Y80 Q97 C98 L99 I103 E104 I105Y80-K101 HydrophobicContact CD1-CB 4.3Å; Y80-K101 HydrophobicContact CD1-CD 4.18Å; Y80-K101 HydrophobicContact CD2-CB 3.95Å; Y80-K101 HydrophobicContact CE1-CB 4.4Å; Y80-K101 HydrophobicContact CE1-CD 3.62Å; Y80-K101 HydrophobicContact CE2-CB 4.01Å; Y80-K101 HydrophobicContact CE2-CD 4.19Å; Y80-K101 HydrophobicContact CG-CB 4.11Å; Q97-K101 WeakPolarHBondContact O-CG 3.49Å; Q97-K101 PolarHBondContact O-N 2.71Å; C98-K101 PolarHBondContact O-N 2.7Å; L99-K101 PolarHBondContact O-N 3.22Å; K101-I103 VanDerWaalsContact C-N 3.33Å; K101-E104 PolarHBondContact O-N 2.99Å; K101-I105 WeakPolarHBondContact O-CD1 3.23Å; K101-I105 VanDerWaalsContact O-CG1 3.28Å; K101-I105 WeakPolarHBondContact O-CG1 3.48Å; K101-I105 PolarHBondContact O-N 2.81Å; K101-I105 VanDerWaalsContact O-N 3.13Å
102A97.1Very high95.9Very high0 Ų052.4 Ų52.40%025%0.253CS..Hα-helixtrans-63.2-41.3175.700000111.6V81 C98 L99 T100 I105 Y106V81-A102 HydrophobicContact CG2-CB 3.75Å; C98-A102 PolarHBondContact O-N 3.03Å; L99-A102 WeakPolarHBondContact O-CB 3.48Å; L99-A102 PolarHBondContact O-N 3.33Å; L99-A102 VanDerWaalsContact O-N 3.16Å; T100-A102 VanDerWaalsContact C-N 3.34Å; T100-A102 PolarHBondContact O-N 2.75Å; A102-I105 PolarHBondContact O-N 2.94Å; A102-Y106 HydrophobicContact CB-CD2 4.45Å; A102-Y106 HydrophobicContact CB-CE2 4.4Å; A102-Y106 WeakPolarHBondContact O-CB 3.36Å; A102-Y106 WeakPolarHBondContact O-CD2 3.49Å; A102-Y106 PolarHBondContact O-N 3.2Å
103I97.9Very high96Very high11 Ų1153.1 Ų53.16%0.05626%0.257CS..Hα-helixtrans-59.2-51.1175.4-73.9162.7000110.4L99 T100 K101 I105 Y106 T107 A115 H118 I122L99-I103 WeakPolarHBondContact O-CB 3.45Å; L99-I103 VanDerWaalsContact O-CG1 3.28Å; L99-I103 WeakPolarHBondContact O-CG1 3.47Å; L99-I103 PolarHBondContact O-N 2.93Å; T100-I103 WeakPolarHBondContact O-CB 3.44Å; T100-I103 PolarHBondContact O-N 3.06Å; K101-I103 VanDerWaalsContact C-N 3.33Å; I103-I105 VanDerWaalsContact C-N 3.27Å; I103-I105 PolarHBondContact O-N 3.02Å; I103-Y106 PolarHBondContact O-N 2.98Å; I103-Y106 VanDerWaalsContact O-N 3.13Å; I103-T107 HydrophobicContact CG2-CG2 4.16Å; I103-T107 WeakPolarHBondContact O-CG2 3.32Å; I103-T107 PolarHBondContact O-N 3.36Å; I103-T107 PolarHBondContact O-OG1 3.18Å; I103-T107 VanDerWaalsContact O-OG1 3.09Å; I103-A115 HydrophobicContact CG2-CB 4.28Å; I103-H118 HydrophobicContact CD1-CB 3.82Å; I103-H118 HydrophobicContact CG1-CB 3.51Å; I103-I122 HydrophobicContact CD1-CD1 3.42Å; I103-I122 VanDerWaalsContact CD1-CD1 3.42Å
104E97Very high96.1Very high110 Ų11049.4 Ų49.451%0.51424%0.243SC..Hα-helixtrans-54.7-44.2178.3-72.3169.1-174.800111.7T100 K101 T107 E108T100-E104 WeakPolarHBondContact O-CG 3.34Å; T100-E104 PolarHBondContact O-N 3.3Å; K101-E104 PolarHBondContact O-N 2.99Å; E104-T107 PolarHBondContact O-OG1 3.36Å; E104-E108 WeakPolarHBondContact O-CB 3.45Å; E104-E108 WeakPolarHBondContact O-CG 3.32Å; E104-E108 PolarHBondContact O-N 3.28Å; E104-E108 VanDerWaalsContact O-N 3.07Å
105I96.7Very high96.3Very high13 Ų1347 Ų477%0.06723%0.232CC..Hα-helixtrans-67.3-43.9178.2-62.8163.1000111.2L68 K73 A76 A77 Y80 K101 A102 I103 E108 M109L68-I105 HydrophobicContact CD2-CD1 3.9Å; L68-I105 HydrophobicContact CD2-CG1 4.43Å; K73-I105 HydrophobicContact CB-CG2 3.69Å; K73-I105 HydrophobicContact CD-CG2 4.45Å; K73-I105 HydrophobicContact CG-CG2 4.29Å; K73-I105 VanDerWaalsContact O-CG2 3.28Å; K73-I105 WeakPolarHBondContact O-CG2 3.47Å; A76-I105 HydrophobicContact CB-CD1 4.13Å; A77-I105 HydrophobicContact CB-CB 4.06Å; A77-I105 HydrophobicContact CB-CD1 4.29Å; A77-I105 HydrophobicContact CB-CG2 3.88Å; Y80-I105 HydrophobicContact CD2-CD1 3.77Å; Y80-I105 HydrophobicContact CE2-CD1 3.81Å; K101-I105 WeakPolarHBondContact O-CD1 3.23Å; K101-I105 VanDerWaalsContact O-CG1 3.28Å; K101-I105 WeakPolarHBondContact O-CG1 3.48Å; K101-I105 PolarHBondContact O-N 2.81Å; K101-I105 VanDerWaalsContact O-N 3.13Å; A102-I105 PolarHBondContact O-N 2.94Å; I103-I105 VanDerWaalsContact C-N 3.27Å; I103-I105 PolarHBondContact O-N 3.02Å; I105-E108 PolarHBondContact O-N 3.23Å; I105-M109 HydrophobicContact CG2-SD 3.91Å; I105-M109 VanDerWaalsContact O-CG 3.23Å; I105-M109 WeakPolarHBondContact O-CG 3.49Å; I105-M109 PolarHBondContact O-N 2.89Å
106Y97.5Very high96.4Very high15 Ų1547 Ų476%0.05923%0.232CC..Hα-helixtrans-68.2-36.6-179.8-77.9-52.8000112.8A77 V81 A102 I103 M109 G110 R111 I114 H118A77-Y106 HydrophobicContact CB-CD1 4.35Å; A77-Y106 HydrophobicContact CB-CD2 4.09Å; A77-Y106 HydrophobicContact CB-CE1 3.91Å; A77-Y106 HydrophobicContact CB-CE2 3.64Å; A77-Y106 HydrophobicContact CB-CG 4.43Å; V81-Y106 HydrophobicContact CG2-CE2 4.4Å; A102-Y106 HydrophobicContact CB-CD2 4.45Å; A102-Y106 HydrophobicContact CB-CE2 4.4Å; A102-Y106 WeakPolarHBondContact O-CB 3.36Å; A102-Y106 WeakPolarHBondContact O-CD2 3.49Å; A102-Y106 PolarHBondContact O-N 3.2Å; I103-Y106 PolarHBondContact O-N 2.98Å; I103-Y106 VanDerWaalsContact O-N 3.13Å; Y106-M109 HydrophobicContact CD1-SD 4.49Å; Y106-M109 CarbonylContact O-C 3.31Å; Y106-M109 PolarHBondContact O-N 3.18Å; Y106-G110 PolarHBondContact O-N 3.03Å; Y106-R111 HydrophobicContact CD1-CB 4.02Å; Y106-R111 HydrophobicContact CD1-CG 4.34Å; Y106-R111 HydrophobicContact CG-CB 4.48Å; Y106-R111 WeakPolarHBondContact O-CA 3.11Å; Y106-R111 WeakPolarHBondContact O-CB 3.48Å; Y106-R111 PolarHBondContact O-N 3.19Å; Y106-I114 HydrophobicContact CD1-CG2 4.18Å; Y106-I114 HydrophobicContact CD2-CG2 3.72Å; Y106-I114 HydrophobicContact CE1-CD1 4.48Å; Y106-I114 HydrophobicContact CE1-CG2 4.17Å; Y106-I114 HydrophobicContact CE2-CG2 3.69Å; Y106-I114 HydrophobicContact CG-CB 4.42Å; Y106-I114 HydrophobicContact CG-CG2 3.98Å; Y106-H118 AromaticContact CD2-CD2 3.73Å; Y106-H118 AromaticContact CD2-NE2 3.87Å; Y106-H118 AromaticContact CE2-CD2 3.8Å; Y106-H118 AromaticContact CE2-NE2 3.44Å; Y106-H118 WeakPolarHBondContact CE2-NE2 3.37Å
107T95.6Very high96.4Very high34 Ų3452 Ų5221%0.20925%0.254CS..Hα-helixtrans-66.8-42.2174.854.40000110.8I103 E104 M109 G110 F112 A115 Y146I103-T107 HydrophobicContact CG2-CG2 4.16Å; I103-T107 WeakPolarHBondContact O-CG2 3.32Å; I103-T107 PolarHBondContact O-N 3.36Å; I103-T107 PolarHBondContact O-OG1 3.18Å; I103-T107 VanDerWaalsContact O-OG1 3.09Å; E104-T107 PolarHBondContact O-OG1 3.36Å; T107-M109 PolarHBondContact O-N 3.32Å; T107-G110 PolarHBondContact O-N 3.26Å; T107-F112 HydrophobicContact CG2-CD1 4.31Å; T107-F112 HydrophobicContact CG2-CE1 4.4Å; T107-A115 HydrophobicContact CG2-CB 3.66Å; T107-Y146 HydrophobicContact CG2-CE2 3.98Å
108E95Very high96.5Very high134 Ų13447.2 Ų47.263%0.62623%0.231SC*.Hα-helixtrans-59.8-30.4172.2-77.1-176.6-175.100113.2K73 E104 I105 G110K73-E108 IonicContact NZ-OE2 3.68Å; K73-E108 PolarHBondContact NZ-OE2 2.88Å; E104-E108 WeakPolarHBondContact O-CB 3.45Å; E104-E108 WeakPolarHBondContact O-CG 3.32Å; E104-E108 PolarHBondContact O-N 3.28Å; E104-E108 VanDerWaalsContact O-N 3.07Å; I105-E108 PolarHBondContact O-N 3.23Å; E108-G110 VanDerWaalsContact C-N 3.27Å
109M94.5Very high96.5Very high49 Ų4948 Ų4824%0.24123%0.234CC..THydrogen-bonded Turntrans-83.41175.6-68.617364.700113.6K73 H74 I105 Y106 T107 R111K73-M109 HydrophobicContact CB-CG 4.14Å; K73-M109 HydrophobicContact CB-SD 3.58Å; K73-M109 VanDerWaalsContact CB-SD 3.58Å; K73-M109 HydrophobicContact CD-CG 4.06Å; H74-M109 HydrophobicContact CB-CE 3.96Å; I105-M109 HydrophobicContact CG2-SD 3.91Å; I105-M109 VanDerWaalsContact O-CG 3.23Å; I105-M109 WeakPolarHBondContact O-CG 3.49Å; I105-M109 PolarHBondContact O-N 2.89Å; Y106-M109 HydrophobicContact CD1-SD 4.49Å; Y106-M109 CarbonylContact O-C 3.31Å; Y106-M109 PolarHBondContact O-N 3.18Å; T107-M109 PolarHBondContact O-N 3.32Å; M109-R111 VanDerWaalsContact C-N 3.25Å; M109-R111 HydrophobicContact CB-CG 4.11Å; M109-R111 PolarHBondContact O-N 2.64Å; M109-R111 PolarHBondContact O-NH1 3.21Å
110G94.6Very high96.5Very high35 Ų3549.9 Ų49.936%0.36124%0.243SC..THydrogen-bonded Turntrans67.422.3-175.200000113.8Y106 T107 E108 F112Y106-G110 PolarHBondContact O-N 3.03Å; T107-G110 PolarHBondContact O-N 3.26Å; E108-G110 VanDerWaalsContact C-N 3.27Å; G110-F112 VanDerWaalsContact C-N 3.35Å; G110-F112 PolarHBondContact O-N 3.45Å
111R94.5Very high96.5Very high134 Ų13449.7 Ų49.751%0.50624%0.243SC..  trans-94.657.9178.9-63.1-67.5-169.3-86.72.1110.7Y106 M109 T113 I114 A115Y106-R111 HydrophobicContact CD1-CB 4.02Å; Y106-R111 HydrophobicContact CD1-CG 4.34Å; Y106-R111 HydrophobicContact CG-CB 4.48Å; Y106-R111 WeakPolarHBondContact O-CA 3.11Å; Y106-R111 WeakPolarHBondContact O-CB 3.48Å; Y106-R111 PolarHBondContact O-N 3.19Å; M109-R111 VanDerWaalsContact C-N 3.25Å; M109-R111 HydrophobicContact CB-CG 4.11Å; M109-R111 PolarHBondContact O-N 2.64Å; M109-R111 PolarHBondContact O-NH1 3.21Å; R111-T113 PolarHBondContact O-N 2.91Å; R111-I114 HydrophobicContact CB-CB 4.31Å; R111-I114 HydrophobicContact CB-CD1 4.2Å; R111-I114 HydrophobicContact CB-CG1 4.43Å; R111-I114 HydrophobicContact CG-CD1 4.47Å; R111-I114 PolarHBondContact O-N 3.48Å; R111-A115 PolarHBondContact O-N 3.36Å
112F95.4Very high96.5Very high73 Ų7345.4 Ų45.432%0.3222%0.224SC..Hα-helixtrans-61.4-39.5-173.8-61.9-74.6000113.5T107 G110 I114 A115 A116 Y146 E150T107-F112 HydrophobicContact CG2-CD1 4.31Å; T107-F112 HydrophobicContact CG2-CE1 4.4Å; G110-F112 VanDerWaalsContact C-N 3.35Å; G110-F112 PolarHBondContact O-N 3.45Å; F112-I114 VanDerWaalsContact C-N 3.25Å; F112-I114 PolarHBondContact O-N 3.06Å; F112-A115 PolarHBondContact O-N 3.34Å; F112-A116 WeakPolarHBondContact O-CB 3.42Å; F112-A116 PolarHBondContact O-N 2.95Å; F112-Y146 HydrophobicContact CD1-CD1 4.13Å; F112-Y146 HydrophobicContact CD1-CE1 4.17Å; F112-E150 HydrophobicContact CB-CG 3.87Å
113T95.8Very high96.5Very high46 Ų4645.4 Ų45.428%0.28222%0.224SC..Hα-helixtrans-58.4-34.9174.6-65.50000112.8R111 K117 Y147 E150R111-T113 PolarHBondContact O-N 2.91Å; T113-K117 WeakPolarHBondContact O-CG 3.5Å; T113-K117 PolarHBondContact O-N 3.35Å; T113-Y147 HydrophobicContact CG2-CE1 4.1Å; T113-E150 PolarHBondContact OG1-OE2 3.4Å
114I96Very high96.4Very high56 Ų5648 Ų4829%0.28724%0.236SC..Hα-helixtrans-77.1-43.7177-60.2178.3000110.2Y106 R111 F112 A116 K117 H118Y106-I114 HydrophobicContact CD1-CG2 4.18Å; Y106-I114 HydrophobicContact CD2-CG2 3.72Å; Y106-I114 HydrophobicContact CE1-CD1 4.48Å; Y106-I114 HydrophobicContact CE1-CG2 4.17Å; Y106-I114 HydrophobicContact CE2-CG2 3.69Å; Y106-I114 HydrophobicContact CG-CB 4.42Å; Y106-I114 HydrophobicContact CG-CG2 3.98Å; R111-I114 HydrophobicContact CB-CB 4.31Å; R111-I114 HydrophobicContact CB-CD1 4.2Å; R111-I114 HydrophobicContact CB-CG1 4.43Å; R111-I114 HydrophobicContact CG-CD1 4.47Å; R111-I114 PolarHBondContact O-N 3.48Å; F112-I114 VanDerWaalsContact C-N 3.25Å; F112-I114 PolarHBondContact O-N 3.06Å; I114-A116 VanDerWaalsContact C-N 3.26Å; I114-A116 PolarHBondContact O-N 2.91Å; I114-K117 WeakPolarHBondContact O-CB 3.46Å; I114-K117 PolarHBondContact O-N 3.47Å; I114-K117 VanDerWaalsContact O-N 3.15Å; I114-H118 PolarHBondContact O-CD2 3.34Å; I114-H118 VanDerWaalsContact O-CD2 3.29Å; I114-H118 PolarHBondContact O-N 2.89Å
115A97Very high96.4Very high0 Ų042.8 Ų42.80%021%0.211CC..Hα-helixtrans-56.2-41.1174.100000111.9I103 T107 R111 F112 K117 H118 H119 Y146I103-A115 HydrophobicContact CG2-CB 4.28Å; T107-A115 HydrophobicContact CG2-CB 3.66Å; R111-A115 PolarHBondContact O-N 3.36Å; F112-A115 PolarHBondContact O-N 3.34Å; A115-K117 PolarHBondContact O-N 3.34Å; A115-H118 PolarHBondContact O-N 3.29Å; A115-H119 PolarHBondContact O-CD2 3.45Å; A115-H119 PolarHBondContact O-N 3.15Å; A115-Y146 HydrophobicContact CB-CD2 4.15Å; A115-Y146 HydrophobicContact CB-CE2 4.07Å
116A97.6Very high96.4Very high0 Ų044.1 Ų44.10%022%0.216CC..Hα-helixtrans-60.4-42.5176.300000112.5F112 I114 H118 H119 M120 A143 Y146 Y147F112-A116 WeakPolarHBondContact O-CB 3.42Å; F112-A116 PolarHBondContact O-N 2.95Å; I114-A116 VanDerWaalsContact C-N 3.26Å; I114-A116 PolarHBondContact O-N 2.91Å; A116-H118 VanDerWaalsContact C-N 3.3Å; A116-H118 PolarHBondContact O-N 2.94Å; A116-H119 WeakPolarHBondContact O-CB 3.41Å; A116-H119 PolarHBondContact O-N 2.86Å; A116-M120 WeakPolarHBondContact O-CG 3.44Å; A116-M120 PolarHBondContact O-N 3.2Å; A116-A143 HydrophobicContact CB-CB 4.4Å; A116-Y146 HydrophobicContact CB-CD2 4.35Å; A116-Y147 HydrophobicContact CB-CD1 4.06Å; A116-Y147 HydrophobicContact CB-CD2 3.83Å; A116-Y147 HydrophobicContact CB-CE1 3.82Å; A116-Y147 HydrophobicContact CB-CE2 3.56Å; A116-Y147 HydrophobicContact CB-CG 4.07Å
117K97.1Very high96.2Very high116 Ų11646.5 Ų46.550%0.50423%0.227SC..Hα-helixtrans-60.1-40.2174.6-69.7175.7-179.4177.50112.2T113 I114 A115 M120 T121 Y147T113-K117 WeakPolarHBondContact O-CG 3.5Å; T113-K117 PolarHBondContact O-N 3.35Å; I114-K117 WeakPolarHBondContact O-CB 3.46Å; I114-K117 PolarHBondContact O-N 3.47Å; I114-K117 VanDerWaalsContact O-N 3.15Å; A115-K117 PolarHBondContact O-N 3.34Å; K117-M120 PolarHBondContact O-N 2.86Å; K117-T121 PolarHBondContact O-N 3.36Å; K117-T121 PolarHBondContact O-OG1 3.47Å; K117-Y147 WeakPolarHBondContact CG-OH 3.36Å
118H97.6Very high96.1Very high24 Ų2451.3 Ų51.311%0.11125%0.246CC..Hα-helixtrans-71.2-36.5176.8-64.9-45.4000112V81 L99 I103 Y106 I114 A115 A116 M120 T121 I122V81-H118 WeakPolarHBondContact CG2-CE1 3.44Å; L99-H118 HydrophobicContact CD2-CB 4.25Å; I103-H118 HydrophobicContact CD1-CB 3.82Å; I103-H118 HydrophobicContact CG1-CB 3.51Å; Y106-H118 AromaticContact CD2-CD2 3.73Å; Y106-H118 AromaticContact CD2-NE2 3.87Å; Y106-H118 AromaticContact CE2-CD2 3.8Å; Y106-H118 AromaticContact CE2-NE2 3.44Å; Y106-H118 WeakPolarHBondContact CE2-NE2 3.37Å; I114-H118 PolarHBondContact O-CD2 3.34Å; I114-H118 VanDerWaalsContact O-CD2 3.29Å; I114-H118 PolarHBondContact O-N 2.89Å; A115-H118 PolarHBondContact O-N 3.29Å; A116-H118 VanDerWaalsContact C-N 3.3Å; A116-H118 PolarHBondContact O-N 2.94Å; H118-M120 VanDerWaalsContact C-N 3.35Å; H118-M120 PolarHBondContact O-N 3.49Å; H118-T121 WeakPolarHBondContact O-CB 3.48Å; H118-T121 PolarHBondContact O-N 3.04Å; H118-T121 VanDerWaalsContact O-N 3.17Å; H118-I122 WeakPolarHBondContact O-CG1 3.36Å; H118-I122 PolarHBondContact O-N 3.17Å
119H98.2Very high96Very high19 Ų1948.5 Ų48.59%0.08824%0.235CC..Hα-helixtrans-58.7-44.2169.9-93.5-81.4000112.1A115 A116 T121 I122 A123 H139 Q142 A143 Y146A115-H119 PolarHBondContact O-CD2 3.45Å; A115-H119 PolarHBondContact O-N 3.15Å; A116-H119 WeakPolarHBondContact O-CB 3.41Å; A116-H119 PolarHBondContact O-N 2.86Å; H119-T121 VanDerWaalsContact C-N 3.31Å; H119-T121 PolarHBondContact O-N 3.25Å; H119-I122 PolarHBondContact O-N 3.17Å; H119-A123 WeakPolarHBondContact O-CB 3.2Å; H119-A123 PolarHBondContact O-N 3.4Å; H119-H139 AromaticContact CE1-ND1 3.53Å; H119-H139 AromaticContact ND1-CE1 3.9Å; H119-H139 AromaticContact ND1-CG 3.84Å; H119-H139 AromaticContact ND1-ND1 2.99Å; H119-H139 PolarHBondContact ND1-ND1 3.47Å; H119-Q142 VanDerWaalsContact CE1-CG 3.47Å; H119-Q142 WeakPolarHBondContact CE1-CG 3.49Å; H119-A143 HydrophobicContact CB-CB 3.79Å; H119-Y146 AromaticContact CD2-CE2 3.69Å; H119-Y146 AromaticContact NE2-CE2 3.78Å
120M97.4Very high95.9Very high41 Ų4148.6 Ų48.620%0.20224%0.236CC..Hα-helixtrans-59.7-42.6173.8-66.3179.173.600111.7A116 K117 H118 I122 A123 E124 Y140 A143 Y147 C159A116-M120 WeakPolarHBondContact O-CG 3.44Å; A116-M120 PolarHBondContact O-N 3.2Å; K117-M120 PolarHBondContact O-N 2.86Å; H118-M120 VanDerWaalsContact C-N 3.35Å; H118-M120 PolarHBondContact O-N 3.49Å; M120-I122 VanDerWaalsContact C-N 3.35Å; M120-I122 PolarHBondContact O-N 3.05Å; M120-A123 WeakPolarHBondContact O-CB 3.46Å; M120-A123 PolarHBondContact O-N 3.38Å; M120-E124 WeakPolarHBondContact O-CG 3.19Å; M120-E124 PolarHBondContact O-N 3.49Å; M120-Y140 HydrophobicContact CB-CE1 4.33Å; M120-Y140 HydrophobicContact CG-CD1 4.36Å; M120-Y140 HydrophobicContact CG-CE1 4.41Å; M120-A143 HydrophobicContact CG-CB 3.85Å; M120-Y147 HydrophobicContact CG-CE2 4.43Å; M120-Y147 HydrophobicContact SD-CE2 3.7Å; M120-C159 VanDerWaalsContact SD-SG 3.66Å
121T96.8Very high95.8Very high44 Ų4452.1 Ų52.127%0.2725%0.25SS..Hα-helixtrans-63-41.9178.2-53.10000111.5L99 K117 H118 H119 A123 E124 I125L99-T121 HydrophobicContact CD1-CG2 3.8Å; K117-T121 PolarHBondContact O-N 3.36Å; K117-T121 PolarHBondContact O-OG1 3.47Å; H118-T121 WeakPolarHBondContact O-CB 3.48Å; H118-T121 PolarHBondContact O-N 3.04Å; H118-T121 VanDerWaalsContact O-N 3.17Å; H119-T121 VanDerWaalsContact C-N 3.31Å; H119-T121 PolarHBondContact O-N 3.25Å; T121-A123 VanDerWaalsContact C-N 3.34Å; T121-E124 PolarHBondContact O-N 2.94Å; T121-I125 HydrophobicContact CG2-CD1 4.43Å; T121-I125 VanDerWaalsContact O-CG1 3.3Å; T121-I125 WeakPolarHBondContact O-CG1 3.24Å; T121-I125 PolarHBondContact O-N 2.78Å; T121-I125 VanDerWaalsContact O-N 3.11Å
122I97.8Very high95.8Very high0 Ų048.6 Ų48.60%024%0.242CC..Hα-helixtrans-61.9-44.4173.9-68.9173.8000110.4I96 L99 I103 H118 H119 M120 E124 I125 Y126 H139I96-I122 HydrophobicContact CG1-CG2 4.14Å; I96-I122 HydrophobicContact CG2-CD1 4.37Å; I96-I122 HydrophobicContact CG2-CG1 4.37Å; I96-I122 HydrophobicContact CG2-CG2 3.88Å; L99-I122 HydrophobicContact CB-CD1 3.66Å; L99-I122 HydrophobicContact CB-CG1 3.62Å; L99-I122 HydrophobicContact CD1-CG1 3.74Å; L99-I122 HydrophobicContact CG-CG1 4.32Å; I103-I122 HydrophobicContact CD1-CD1 3.42Å; I103-I122 VanDerWaalsContact CD1-CD1 3.42Å; H118-I122 WeakPolarHBondContact O-CG1 3.36Å; H118-I122 PolarHBondContact O-N 3.17Å; H119-I122 PolarHBondContact O-N 3.17Å; M120-I122 VanDerWaalsContact C-N 3.35Å; M120-I122 PolarHBondContact O-N 3.05Å; I122-E124 VanDerWaalsContact C-N 3.34Å; I122-E124 PolarHBondContact O-N 3.43Å; I122-I125 WeakPolarHBondContact O-CB 3.48Å; I122-I125 PolarHBondContact O-N 3.5Å; I122-I125 VanDerWaalsContact O-N 3.14Å; I122-Y126 HydrophobicContact CG2-CD2 3.52Å; I122-Y126 HydrophobicContact CG2-CE2 3.4Å; I122-Y126 WeakPolarHBondContact O-CD2 3.32Å; I122-Y126 PolarHBondContact O-N 3.31Å; I122-H139 HydrophobicContact CG2-CB 4.37Å; I122-H139 WeakPolarHBondContact CG2-ND1 3.41Å
123A97.6Very high95.7Very high0 Ų046.9 Ų46.90%024%0.235CC..Hα-helixtrans-60.5-42.7178.600000112H119 M120 T121 I125 Y126 E127 A136 H139 Y140H119-A123 WeakPolarHBondContact O-CB 3.2Å; H119-A123 PolarHBondContact O-N 3.4Å; M120-A123 WeakPolarHBondContact O-CB 3.46Å; M120-A123 PolarHBondContact O-N 3.38Å; T121-A123 VanDerWaalsContact C-N 3.34Å; A123-I125 VanDerWaalsContact C-N 3.32Å; A123-I125 PolarHBondContact O-N 3.33Å; A123-Y126 PolarHBondContact O-N 3.06Å; A123-E127 VanDerWaalsContact O-CB 3.32Å; A123-E127 WeakPolarHBondContact O-CB 3.42Å; A123-E127 PolarHBondContact O-N 3.39Å; A123-A136 WeakPolarHBondContact CB-O 3.41Å; A123-A136 WeakPolarHBondContact O-CB 3.34Å; A123-H139 HydrophobicContact CB-CB 3.79Å; A123-Y140 HydrophobicContact CB-CD1 3.8Å; A123-Y140 HydrophobicContact CB-CD2 3.46Å; A123-Y140 VanDerWaalsContact CB-CD2 3.46Å; A123-Y140 HydrophobicContact CB-CE1 3.81Å; A123-Y140 HydrophobicContact CB-CE2 3.47Å; A123-Y140 VanDerWaalsContact CB-CE2 3.47Å; A123-Y140 HydrophobicContact CB-CG 3.61Å
124E95.8Very high95.6Very high66 Ų6651 Ų5131%0.30825%0.251SS..Hα-helixtrans-62.8-35.4174.6-72.2178.1-16500112.9M120 T121 I122 K128 Y140M120-E124 WeakPolarHBondContact O-CG 3.19Å; M120-E124 PolarHBondContact O-N 3.49Å; T121-E124 PolarHBondContact O-N 2.94Å; I122-E124 VanDerWaalsContact C-N 3.34Å; I122-E124 PolarHBondContact O-N 3.43Å; E124-K128 WeakPolarHBondContact O-CB 3.45Å; E124-K128 PolarHBondContact O-N 3.03Å; E124-Y140 WeakPolarHBondContact CG-OH 3.45Å
125I96.2Very high95.6Very high0 Ų050.9 Ų50.90%025%0.25CC..Hα-helixtrans-67.1-45.3174.7-65.7165.2000109.8K88 P92 I96 L99 T121 I122 A123 E127 D129 L130K88-I125 HydrophobicContact CD-CD1 4.1Å; K88-I125 HydrophobicContact CD-CG1 3.95Å; K88-I125 HydrophobicContact CG-CD1 4.45Å; K88-I125 HydrophobicContact CG-CG1 4.43Å; P92-I125 HydrophobicContact CB-CG2 3.7Å; I96-I125 HydrophobicContact CD1-CB 4.26Å; I96-I125 HydrophobicContact CD1-CG2 3.69Å; I96-I125 HydrophobicContact CG1-CB 4.26Å; I96-I125 HydrophobicContact CG1-CD1 4.17Å; I96-I125 HydrophobicContact CG1-CG2 3.92Å; L99-I125 HydrophobicContact CD1-CD1 3.99Å; T121-I125 HydrophobicContact CG2-CD1 4.43Å; T121-I125 VanDerWaalsContact O-CG1 3.3Å; T121-I125 WeakPolarHBondContact O-CG1 3.24Å; T121-I125 PolarHBondContact O-N 2.78Å; T121-I125 VanDerWaalsContact O-N 3.11Å; I122-I125 WeakPolarHBondContact O-CB 3.48Å; I122-I125 PolarHBondContact O-N 3.5Å; I122-I125 VanDerWaalsContact O-N 3.14Å; A123-I125 VanDerWaalsContact C-N 3.32Å; A123-I125 PolarHBondContact O-N 3.33Å; I125-E127 VanDerWaalsContact C-N 3.33Å; I125-E127 PolarHBondContact O-N 3.41Å; I125-D129 HydrophobicContact CG2-CB 4.13Å; I125-D129 WeakPolarHBondContact O-CA 3.5Å; I125-D129 WeakPolarHBondContact O-CB 3.4Å; I125-D129 PolarHBondContact O-N 3.08Å; I125-L130 HydrophobicContact CG2-CD1 4.49Å; I125-L130 PolarHBondContact O-N 3.31Å; I125-L130 VanDerWaalsContact O-N 3.08Å
126Y97.2Very high95.5Very high41 Ų4150.9 Ų50.916%0.16125%0.25CC..Iπ-helixtrans-62-41.4176.1-82.2-60.2000112.3I96 I122 A123 L130 V131 D132 Q135 H139I96-Y126 HydrophobicContact CD1-CD1 4.14Å; I96-Y126 HydrophobicContact CD1-CD2 4.11Å; I96-Y126 HydrophobicContact CD1-CE1 3.85Å; I96-Y126 HydrophobicContact CD1-CE2 3.79Å; I96-Y126 HydrophobicContact CD1-CG 4.27Å; I96-Y126 HydrophobicContact CG2-CE2 4.19Å; I122-Y126 HydrophobicContact CG2-CD2 3.52Å; I122-Y126 HydrophobicContact CG2-CE2 3.4Å; I122-Y126 WeakPolarHBondContact O-CD2 3.32Å; I122-Y126 PolarHBondContact O-N 3.31Å; A123-Y126 PolarHBondContact O-N 3.06Å; Y126-L130 HydrophobicContact CD1-CB 4.23Å; Y126-L130 HydrophobicContact CD1-CD1 3.65Å; Y126-L130 HydrophobicContact CE1-CD1 3.72Å; Y126-L130 CarbonylContact O-C 3.52Å; Y126-V131 CarbonylContact O-C 3.57Å; Y126-V131 WeakPolarHBondContact O-CA 3.45Å; Y126-V131 PolarHBondContact O-N 3.18Å; Y126-D132 HydrophobicContact CD1-CB 3.89Å; Y126-D132 PolarHBondContact O-N 3.22Å; Y126-Q135 HydrophobicContact CD1-CB 3.69Å; Y126-Q135 HydrophobicContact CD1-CG 4.36Å; Y126-Q135 HydrophobicContact CD2-CB 3.77Å; Y126-Q135 HydrophobicContact CE1-CB 3.78Å; Y126-Q135 HydrophobicContact CE1-CG 4.05Å; Y126-Q135 HydrophobicContact CE2-CB 3.87Å; Y126-Q135 HydrophobicContact CG-CB 3.68Å; Y126-H139 AromaticContact CD2-CD2 3.89Å; Y126-H139 AromaticContact CE2-CD2 3.64Å; Y126-H139 AromaticContact CE2-NE2 3.68Å
127E93.5Very high95.5Very high64 Ų6451.4 Ų51.430%0.29925%0.252SS..Iπ-helixtrans-66.6-49.6179.4-177.2-174.2166.400112.4A123 I125 A136 Y140 L166A123-E127 VanDerWaalsContact O-CB 3.32Å; A123-E127 WeakPolarHBondContact O-CB 3.42Å; A123-E127 PolarHBondContact O-N 3.39Å; I125-E127 VanDerWaalsContact C-N 3.33Å; I125-E127 PolarHBondContact O-N 3.41Å; E127-A136 HydrophobicContact CB-CB 4.1Å; E127-Y140 PolarHBondContact OE2-OH 3.16Å; E127-L166 HydrophobicContact CG-CD1 4.49Å; E127-L166 HydrophobicContact CG-CD2 3.87Å
128K92.7Very high95.5Very high136 Ų13653.9 Ų53.959%0.59126%0.258SS*.Iπ-helixtrans-95.6-41.2-169.1-64.3175.8-177.5166.70114.1E124E124-K128 WeakPolarHBondContact O-CB 3.45Å; E124-K128 PolarHBondContact O-N 3.03Å
129D93.1Very high95.5Very high75 Ų7553.9 Ų53.940%0.40126%0.258SS..Iπ-helixtrans-96.9-34.9-169.4-54.5-42.1000111.8K88 P92 I125K88-D129 WeakPolarHBondContact CE-OD2 3.35Å; K88-D129 IonicContact NZ-OD2 3.85Å; P92-D129 HydrophobicContact CB-CB 4.13Å; P92-D129 HydrophobicContact CG-CB 4.09Å; I125-D129 HydrophobicContact CG2-CB 4.13Å; I125-D129 WeakPolarHBondContact O-CA 3.5Å; I125-D129 WeakPolarHBondContact O-CB 3.4Å; I125-D129 PolarHBondContact O-N 3.08Å
130L92.3Very high95.5Very high51 Ų5153.6 Ų53.627%0.26726%0.257SS..Iπ-helixtrans-106.1-14.5-178.4-59.2178.5000114.2P92 K93 I96 I125 Y126 D132P92-L130 HydrophobicContact CB-CD2 4.14Å; P92-L130 HydrophobicContact CB-CG 4.37Å; K93-L130 HydrophobicContact CG-CD1 4.03Å; K93-L130 HydrophobicContact CG-CD2 4.09Å; I96-L130 HydrophobicContact CD1-CD1 3.56Å; I125-L130 HydrophobicContact CG2-CD1 4.49Å; I125-L130 PolarHBondContact O-N 3.31Å; I125-L130 VanDerWaalsContact O-N 3.08Å; Y126-L130 HydrophobicContact CD1-CB 4.23Å; Y126-L130 HydrophobicContact CD1-CD1 3.65Å; Y126-L130 HydrophobicContact CE1-CD1 3.72Å; Y126-L130 CarbonylContact O-C 3.52Å; L130-D132 PolarHBondContact O-N 2.88Å
131V91.8Very high95.4Very high108 Ų10855.3 Ų55.366%0.65526%0.264SS*.  trans52.636.5-177.7-158.20000112.5Y126Y126-V131 CarbonylContact O-C 3.57Å; Y126-V131 WeakPolarHBondContact O-CA 3.45Å; Y126-V131 PolarHBondContact O-N 3.18Å
132D94.2Very high95.5Very high61 Ų6156.3 Ų56.333%0.32627%0.266SS..  trans-102.587.7175.2-172.4-24.5000109Y126 L130 E134 Q135 A136Y126-D132 HydrophobicContact CD1-CB 3.89Å; Y126-D132 PolarHBondContact O-N 3.22Å; L130-D132 PolarHBondContact O-N 2.88Å; D132-E134 VanDerWaalsContact C-N 3.29Å; D132-E134 PolarHBondContact O-N 3.37Å; D132-E134 PolarHBondContact OD1-N 3.39Å; D132-Q135 HydrophobicContact CB-CB 4.36Å; D132-Q135 VanDerWaalsContact CG-CG 3.48Å; D132-Q135 PolarHBondContact O-N 3.07Å; D132-Q135 WeakPolarHBondContact OD1-CG 3.46Å; D132-Q135 PolarHBondContact OD1-N 2.81Å; D132-Q135 WeakPolarHBondContact OD2-CG 3.44Å; D132-A136 WeakPolarHBondContact O-CB 3.45Å; D132-A136 PolarHBondContact O-N 2.94Å
133I93.6Very high95.4Very high37 Ų3756.3 Ų56.319%0.1927%0.266CS..Hα-helixtrans-66.3-34-173.4-55.5174.5000111.1A136 I137 L166 Q169 L170I133-A136 PolarHBondContact O-N 2.64Å; I133-I137 HydrophobicContact CG2-CD1 4.08Å; I133-I137 HydrophobicContact CG2-CG1 4.49Å; I133-I137 WeakPolarHBondContact O-CG1 3.45Å; I133-I137 PolarHBondContact O-N 3.44Å; I133-L166 HydrophobicContact CG2-CB 3.81Å; I133-L166 HydrophobicContact CG2-CD2 4.19Å; I133-L166 HydrophobicContact CG2-CG 4.45Å; I133-Q169 HydrophobicContact CD1-CB 4.21Å; I133-L170 HydrophobicContact CB-CD1 4.39Å; I133-L170 HydrophobicContact CB-CD2 4Å; I133-L170 HydrophobicContact CB-CG 4.17Å; I133-L170 HydrophobicContact CD1-CD2 4.38Å; I133-L170 HydrophobicContact CG2-CD1 3.94Å; I133-L170 HydrophobicContact CG2-CD2 4.11Å; I133-L170 HydrophobicContact CG2-CG 3.71Å
134E94.8Very high95.3Very high131 Ų13156.8 Ų56.861%0.61227%0.27SS*.Hα-helixtrans-65.5-46.7179.7-66.9-173.3164.100111.4D132 A136 I137 R138 L170D132-E134 VanDerWaalsContact C-N 3.29Å; D132-E134 PolarHBondContact O-N 3.37Å; D132-E134 PolarHBondContact OD1-N 3.39Å; E134-A136 VanDerWaalsContact C-N 3.35Å; E134-I137 PolarHBondContact O-N 3.42Å; E134-R138 PolarHBondContact O-N 3.13Å; E134-R138 VanDerWaalsContact O-N 3.09Å; E134-L170 HydrophobicContact CG-CD1 3.82Å; E134-L170 HydrophobicContact CG-CD2 4.45Å
135Q95.3Very high95.4Very high55 Ų5558.2 Ų58.226%0.25728%0.279SS..Hα-helixtrans-66.2-38.5175.1-67.5-59.6-42.300111.7Y126 D132 I137 R138 H139Y126-Q135 HydrophobicContact CD1-CB 3.69Å; Y126-Q135 HydrophobicContact CD1-CG 4.36Å; Y126-Q135 HydrophobicContact CD2-CB 3.77Å; Y126-Q135 HydrophobicContact CE1-CB 3.78Å; Y126-Q135 HydrophobicContact CE1-CG 4.05Å; Y126-Q135 HydrophobicContact CE2-CB 3.87Å; Y126-Q135 HydrophobicContact CG-CB 3.68Å; D132-Q135 HydrophobicContact CB-CB 4.36Å; D132-Q135 VanDerWaalsContact CG-CG 3.48Å; D132-Q135 PolarHBondContact O-N 3.07Å; D132-Q135 WeakPolarHBondContact OD1-CG 3.46Å; D132-Q135 PolarHBondContact OD1-N 2.81Å; D132-Q135 WeakPolarHBondContact OD2-CG 3.44Å; Q135-I137 PolarHBondContact O-N 2.86Å; Q135-R138 PolarHBondContact O-N 2.79Å; Q135-H139 PolarHBondContact O-CD2 2.99Å; Q135-H139 VanDerWaalsContact O-CD2 3.32Å; Q135-H139 PolarHBondContact O-N 3.29Å
136A95.9Very high95.4Very high0 Ų060.5 Ų60.50%029%0.288CS..Hα-helixtrans-58-47.9175.500000111.6A123 E127 D132 I133 E134 R138 H139 Y140 L166A123-A136 WeakPolarHBondContact CB-O 3.41Å; A123-A136 WeakPolarHBondContact O-CB 3.34Å; E127-A136 HydrophobicContact CB-CB 4.1Å; D132-A136 WeakPolarHBondContact O-CB 3.45Å; D132-A136 PolarHBondContact O-N 2.94Å; I133-A136 PolarHBondContact O-N 2.64Å; E134-A136 VanDerWaalsContact C-N 3.35Å; A136-R138 PolarHBondContact O-N 3.37Å; A136-H139 PolarHBondContact O-N 2.97Å; A136-Y140 VanDerWaalsContact O-CD2 3.24Å; A136-Y140 WeakPolarHBondContact O-CD2 3.39Å; A136-Y140 PolarHBondContact O-N 3.08Å; A136-L166 HydrophobicContact CB-CD1 3.84Å
137I96.3Very high95.4Very high10 Ų1059 Ų595%0.05128%0.283CS..Hα-helixtrans-57.2-50.7175.9-73.8167.3000110.8I133 E134 Q135 H139 Y140 E141 V163 L166 A167 L170I133-I137 HydrophobicContact CG2-CD1 4.08Å; I133-I137 HydrophobicContact CG2-CG1 4.49Å; I133-I137 WeakPolarHBondContact O-CG1 3.45Å; I133-I137 PolarHBondContact O-N 3.44Å; E134-I137 PolarHBondContact O-N 3.42Å; Q135-I137 PolarHBondContact O-N 2.86Å; I137-H139 VanDerWaalsContact C-N 3.28Å; I137-H139 PolarHBondContact O-N 3.17Å; I137-Y140 PolarHBondContact O-N 2.85Å; I137-Y140 VanDerWaalsContact O-N 3.16Å; I137-E141 HydrophobicContact CG2-CG 4.19Å; I137-E141 WeakPolarHBondContact O-CG 3.12Å; I137-E141 PolarHBondContact O-N 2.97Å; I137-V163 HydrophobicContact CG2-CG1 3.95Å; I137-L166 HydrophobicContact CD1-CB 3.98Å; I137-L166 HydrophobicContact CG1-CB 3.64Å; I137-L166 HydrophobicContact CG1-CD1 4.31Å; I137-A167 HydrophobicContact CD1-CB 4.26Å; I137-L170 HydrophobicContact CD1-CD1 3.51Å; I137-L170 HydrophobicContact CD1-CG 4.39Å
138R96.6Very high95.4Very high168 Ų16861.6 Ų61.663%0.63429%0.293SS*.Hα-helixtrans-57-42.2-178.6-176.9-179174.1171.1-1.2112.1E134 Q135 A136 Q142E134-R138 PolarHBondContact O-N 3.13Å; E134-R138 VanDerWaalsContact O-N 3.09Å; Q135-R138 PolarHBondContact O-N 2.79Å; A136-R138 PolarHBondContact O-N 3.37Å; R138-Q142 PolarHBondContact O-N 3.46Å; R138-Q142 VanDerWaalsContact O-N 3.08Å
139H98Very high95.5Very high25 Ų2558.2 Ų58.212%0.11630%0.296CS..Hα-helixtrans-71.8-37.7178.8-82.7-86.2000112.8H119 I122 A123 Y126 Q135 A136 I137 Q142 A143H119-H139 AromaticContact CE1-ND1 3.53Å; H119-H139 AromaticContact ND1-CE1 3.9Å; H119-H139 AromaticContact ND1-CG 3.84Å; H119-H139 AromaticContact ND1-ND1 2.99Å; H119-H139 PolarHBondContact ND1-ND1 3.47Å; I122-H139 HydrophobicContact CG2-CB 4.37Å; I122-H139 WeakPolarHBondContact CG2-ND1 3.41Å; A123-H139 HydrophobicContact CB-CB 3.79Å; Y126-H139 AromaticContact CD2-CD2 3.89Å; Y126-H139 AromaticContact CE2-CD2 3.64Å; Y126-H139 AromaticContact CE2-NE2 3.68Å; Q135-H139 PolarHBondContact O-CD2 2.99Å; Q135-H139 VanDerWaalsContact O-CD2 3.32Å; Q135-H139 PolarHBondContact O-N 3.29Å; A136-H139 PolarHBondContact O-N 2.97Å; I137-H139 VanDerWaalsContact C-N 3.28Å; I137-H139 PolarHBondContact O-N 3.17Å; H139-Q142 PolarHBondContact O-N 3.42Å; H139-A143 PolarHBondContact O-N 2.94Å
140Y98.3Very high95.5Very high13 Ų1358.7 Ų58.75%0.05130%0.296CS..Hα-helixtrans-66.3-37.9172.8-79.3-59.1000112.5M120 A123 E124 E127 A136 I137 A143 A144 A162 V163 L166M120-Y140 HydrophobicContact CB-CE1 4.33Å; M120-Y140 HydrophobicContact CG-CD1 4.36Å; M120-Y140 HydrophobicContact CG-CE1 4.41Å; A123-Y140 HydrophobicContact CB-CD1 3.8Å; A123-Y140 HydrophobicContact CB-CD2 3.46Å; A123-Y140 VanDerWaalsContact CB-CD2 3.46Å; A123-Y140 HydrophobicContact CB-CE1 3.81Å; A123-Y140 HydrophobicContact CB-CE2 3.47Å; A123-Y140 VanDerWaalsContact CB-CE2 3.47Å; A123-Y140 HydrophobicContact CB-CG 3.61Å; E124-Y140 WeakPolarHBondContact CG-OH 3.45Å; E127-Y140 PolarHBondContact OE2-OH 3.16Å; A136-Y140 VanDerWaalsContact O-CD2 3.24Å; A136-Y140 WeakPolarHBondContact O-CD2 3.39Å; A136-Y140 PolarHBondContact O-N 3.08Å; I137-Y140 PolarHBondContact O-N 2.85Å; I137-Y140 VanDerWaalsContact O-N 3.16Å; Y140-A143 WeakPolarHBondContact O-CB 3.38Å; Y140-A143 PolarHBondContact O-N 3.32Å; Y140-A144 WeakPolarHBondContact O-CB 3.36Å; Y140-A144 PolarHBondContact O-N 3.36Å; Y140-A162 HydrophobicContact CD1-CB 4.11Å; Y140-A162 HydrophobicContact CD2-CB 4.08Å; Y140-A162 HydrophobicContact CE1-CB 4Å; Y140-A162 HydrophobicContact CE2-CB 3.98Å; Y140-A162 HydrophobicContact CG-CB 4.16Å; Y140-V163 VanDerWaalsContact CB-CG2 3.47Å; Y140-L166 HydrophobicContact CD2-CD1 3.82Å; Y140-L166 HydrophobicContact CE2-CD1 3.72Å
141E96.7Very high95.4Very high76 Ų7664.3 Ų64.336%0.35532%0.321SS..Hα-helixtrans-62.5-44.8174.9-73.9-178.3146.200111.3I137 A143 A144 D145 V163 K175I137-E141 HydrophobicContact CG2-CG 4.19Å; I137-E141 WeakPolarHBondContact O-CG 3.12Å; I137-E141 PolarHBondContact O-N 2.97Å; E141-A143 VanDerWaalsContact C-N 3.32Å; E141-A143 PolarHBondContact O-N 3.28Å; E141-A144 WeakPolarHBondContact O-CB 3.13Å; E141-A144 PolarHBondContact O-N 3.28Å; E141-D145 PolarHBondContact O-N 3.27Å; E141-V163 HydrophobicContact CG-CG1 4.06Å; E141-V163 HydrophobicContact CG-CG2 3.72Å; E141-K175 VanDerWaalsContact OE1-CE 3.26Å; E141-K175 WeakPolarHBondContact OE1-CE 3.49Å; E141-K175 IonicContact OE1-NZ 2.82Å; E141-K175 PolarHBondContact OE1-NZ 2.95Å
142Q97.1Very high95.4Very high66 Ų6660.9 Ų60.931%0.30830%0.302SS..Hα-helixtrans-63.8-37.5175.6-169.161.770.700112.3H119 R138 H139 D145 Y146H119-Q142 VanDerWaalsContact CE1-CG 3.47Å; H119-Q142 WeakPolarHBondContact CE1-CG 3.49Å; R138-Q142 PolarHBondContact O-N 3.46Å; R138-Q142 VanDerWaalsContact O-N 3.08Å; H139-Q142 PolarHBondContact O-N 3.42Å; Q142-D145 PolarHBondContact NE2-OD2 3.42Å; Q142-D145 PolarHBondContact O-N 3.07Å; Q142-Y146 HydrophobicContact CG-CE2 4.11Å; Q142-Y146 VanDerWaalsContact NE2-CE1 3.3Å; Q142-Y146 PolarHBondContact O-N 3.38Å; Q142-Y146 VanDerWaalsContact O-N 3.13Å
143A97.2Very high95Very high0 Ų063.3 Ų63.30%032%0.315CS..Hα-helixtrans-63.6-42.4172.700000111.8A116 H119 M120 H139 Y140 E141 D145 Y146 Y147A116-A143 HydrophobicContact CB-CB 4.4Å; H119-A143 HydrophobicContact CB-CB 3.79Å; M120-A143 HydrophobicContact CG-CB 3.85Å; H139-A143 PolarHBondContact O-N 2.94Å; Y140-A143 WeakPolarHBondContact O-CB 3.38Å; Y140-A143 PolarHBondContact O-N 3.32Å; E141-A143 VanDerWaalsContact C-N 3.32Å; E141-A143 PolarHBondContact O-N 3.28Å; A143-D145 VanDerWaalsContact C-N 3.35Å; A143-Y146 PolarHBondContact O-N 3.47Å; A143-Y147 WeakPolarHBondContact O-CD2 3.41Å; A143-Y147 PolarHBondContact O-N 3.39Å
144A95.5Very high94.7Very high10 Ų1065 Ų658%0.08333%0.33CS..Hα-helixtrans-61.7-43.6177.900000111.5Y140 E141 Y147 K148 C159 Q160Y140-A144 WeakPolarHBondContact O-CB 3.36Å; Y140-A144 PolarHBondContact O-N 3.36Å; E141-A144 WeakPolarHBondContact O-CB 3.13Å; E141-A144 PolarHBondContact O-N 3.28Å; A144-Y147 PolarHBondContact O-N 3.09Å; A144-K148 VanDerWaalsContact O-CB 3.32Å; A144-K148 WeakPolarHBondContact O-CB 3.26Å; A144-K148 PolarHBondContact O-N 3.35Å; A144-C159 HydrophobicContact CB-CB 3.73Å; A144-Q160 HydrophobicContact CB-CG 4.06Å
145D96.4Very high94.6Very high95 Ų9560.3 Ų60.351%0.50831%0.311SS..Hα-helixtrans-59.9-48.8176.9-176.544.6000111.7E141 Q142 A143 Y147 K148 G149E141-D145 PolarHBondContact O-N 3.27Å; Q142-D145 PolarHBondContact NE2-OD2 3.42Å; Q142-D145 PolarHBondContact O-N 3.07Å; A143-D145 VanDerWaalsContact C-N 3.35Å; D145-Y147 PolarHBondContact O-N 2.81Å; D145-K148 PolarHBondContact O-N 3.23Å; D145-G149 PolarHBondContact O-N 3.21Å
146Y97.1Very high94.4Very high49 Ų4957.8 Ų57.819%0.19230%0.3CS..Hα-helixtrans-60.6-44175.4-71.2-16.3000112.9T107 F112 A115 A116 H119 Q142 A143 K148 G149 E150T107-Y146 HydrophobicContact CG2-CE2 3.98Å; F112-Y146 HydrophobicContact CD1-CD1 4.13Å; F112-Y146 HydrophobicContact CD1-CE1 4.17Å; A115-Y146 HydrophobicContact CB-CD2 4.15Å; A115-Y146 HydrophobicContact CB-CE2 4.07Å; A116-Y146 HydrophobicContact CB-CD2 4.35Å; H119-Y146 AromaticContact CD2-CE2 3.69Å; H119-Y146 AromaticContact NE2-CE2 3.78Å; Q142-Y146 HydrophobicContact CG-CE2 4.11Å; Q142-Y146 VanDerWaalsContact NE2-CE1 3.3Å; Q142-Y146 PolarHBondContact O-N 3.38Å; Q142-Y146 VanDerWaalsContact O-N 3.13Å; A143-Y146 PolarHBondContact O-N 3.47Å; Y146-K148 VanDerWaalsContact C-N 3.32Å; Y146-K148 PolarHBondContact O-N 3.24Å; Y146-G149 PolarHBondContact O-N 3.05Å; Y146-E150 VanDerWaalsContact O-CG 3.24Å; Y146-E150 WeakPolarHBondContact O-CG 3.12Å; Y146-E150 PolarHBondContact O-N 2.82Å; Y146-E150 VanDerWaalsContact O-N 3.15Å
147Y97.6Very high94.2Very high10 Ų1059.2 Ų59.24%0.03931%0.307CS..Hα-helixtrans-65.7-35.6176.4-76.8-54.9000112.8T113 A116 K117 M120 A143 A144 D145 E150 E151 S152T113-Y147 HydrophobicContact CG2-CE1 4.1Å; A116-Y147 HydrophobicContact CB-CD1 4.06Å; A116-Y147 HydrophobicContact CB-CD2 3.83Å; A116-Y147 HydrophobicContact CB-CE1 3.82Å; A116-Y147 HydrophobicContact CB-CE2 3.56Å; A116-Y147 HydrophobicContact CB-CG 4.07Å; K117-Y147 WeakPolarHBondContact CG-OH 3.36Å; M120-Y147 HydrophobicContact CG-CE2 4.43Å; M120-Y147 HydrophobicContact SD-CE2 3.7Å; A143-Y147 WeakPolarHBondContact O-CD2 3.41Å; A143-Y147 PolarHBondContact O-N 3.39Å; A144-Y147 PolarHBondContact O-N 3.09Å; D145-Y147 PolarHBondContact O-N 2.81Å; Y147-E150 CarbonylContact O-C 3.54Å; Y147-E150 PolarHBondContact O-N 3.4Å; Y147-E151 PolarHBondContact O-N 3.19Å; Y147-S152 WeakPolarHBondContact O-CA 3.24Å; Y147-S152 WeakPolarHBondContact O-CB 3.11Å; Y147-S152 PolarHBondContact O-N 3.22Å
148K93.5Very high94Very high118 Ų11865.6 Ų65.651%0.51334%0.335SS..Hα-helixtrans-68.6-41.4177.9-171.9172.9-176.6169.60111.3A144 D145 Y146 E150 E151 A156A144-K148 VanDerWaalsContact O-CB 3.32Å; A144-K148 WeakPolarHBondContact O-CB 3.26Å; A144-K148 PolarHBondContact O-N 3.35Å; D145-K148 PolarHBondContact O-N 3.23Å; Y146-K148 VanDerWaalsContact C-N 3.32Å; Y146-K148 PolarHBondContact O-N 3.24Å; K148-E150 PolarHBondContact O-N 3.18Å; K148-E151 PolarHBondContact O-N 3.46Å; K148-A156 HydrophobicContact CB-CB 4.31Å
149G94.1Very high93.9Very high64 Ų6457.6 Ų57.666%0.6630%0.304SS*.Hα-helixtrans-61.4-30.6173.300000113.4D145 Y146 E151D145-G149 PolarHBondContact O-N 3.21Å; Y146-G149 PolarHBondContact O-N 3.05Å; G149-E151 VanDerWaalsContact C-N 3.28Å; G149-E151 PolarHBondContact O-N 3.15Å
150E93.7Very high93.7Very high86 Ų8658.1 Ų58.140%0.40231%0.307SS..THydrogen-bonded Turntrans-89.814.6175.8-62.4-86.211000112.9F112 T113 Y146 Y147 K148 S152F112-E150 HydrophobicContact CB-CG 3.87Å; T113-E150 PolarHBondContact OG1-OE2 3.4Å; Y146-E150 VanDerWaalsContact O-CG 3.24Å; Y146-E150 WeakPolarHBondContact O-CG 3.12Å; Y146-E150 PolarHBondContact O-N 2.82Å; Y146-E150 VanDerWaalsContact O-N 3.15Å; Y147-E150 CarbonylContact O-C 3.54Å; Y147-E150 PolarHBondContact O-N 3.4Å; K148-E150 PolarHBondContact O-N 3.18Å; E150-S152 PolarHBondContact O-N 3.33Å
151E90.5Very high93.5Very high168 Ų16858.8 Ų58.879%0.78531%0.311SS*.THydrogen-bonded Turntrans55.818.2-178.2-57.3-175163.400114.5Y147 K148 G149 N153Y147-E151 PolarHBondContact O-N 3.19Å; K148-E151 PolarHBondContact O-N 3.46Å; G149-E151 VanDerWaalsContact C-N 3.28Å; G149-E151 PolarHBondContact O-N 3.15Å; E151-N153 VanDerWaalsContact C-N 3.29Å; E151-N153 PolarHBondContact O-N 2.95Å
152S90.3Very high93.4Very high37 Ų3755.9 Ų55.926%0.25930%0.3SS..  trans-85.864.4179.4-161.40000111.4Y147 E150 S154 S155 A156Y147-S152 WeakPolarHBondContact O-CA 3.24Å; Y147-S152 WeakPolarHBondContact O-CB 3.11Å; Y147-S152 PolarHBondContact O-N 3.22Å; E150-S152 PolarHBondContact O-N 3.33Å; S152-S154 VanDerWaalsContact C-N 3.3Å; S152-S154 PolarHBondContact O-N 3.04Å; S152-S155 PolarHBondContact O-N 3.17Å; S152-S155 WeakPolarHBondContact OG-CB 3.39Å; S152-S155 PolarHBondContact OG-OG 3.49Å; S152-A156 PolarHBondContact O-N 3.48Å
153N87.7Confident93.3Very high111 Ų11152.9 Ų52.959%0.59429%0.287SS*.Hα-helixtrans-55.7-39-173.7-68.3-41.3000113.7E151 S155 A156 M157E151-N153 VanDerWaalsContact C-N 3.29Å; E151-N153 PolarHBondContact O-N 2.95Å; N153-S155 VanDerWaalsContact C-N 3.34Å; N153-S155 PolarHBondContact O-N 2.89Å; N153-A156 PolarHBondContact O-N 3.29Å; N153-M157 VanDerWaalsContact O-CB 3.23Å; N153-M157 WeakPolarHBondContact O-CB 3.48Å; N153-M157 PolarHBondContact O-N 3.43Å
154S87.1Confident93.1Very high73 Ų7352.9 Ų52.951%0.5129%0.287SS..Hα-helixtrans-66.4-34.9178.2-54.40000113S152 K158S152-S154 VanDerWaalsContact C-N 3.3Å; S152-S154 PolarHBondContact O-N 3.04Å; S154-K158 WeakPolarHBondContact O-CG 3.38Å; S154-K158 PolarHBondContact O-N 2.89Å
155S91.4Very high92.9Very high32 Ų3255.3 Ų55.322%0.22430%0.296CS..Hα-helixtrans-77.5-39.4178-51.90000111.1S152 N153 K158 C159S152-S155 PolarHBondContact O-N 3.17Å; S152-S155 WeakPolarHBondContact OG-CB 3.39Å; S152-S155 PolarHBondContact OG-OG 3.49Å; N153-S155 VanDerWaalsContact C-N 3.34Å; N153-S155 PolarHBondContact O-N 2.89Å; S155-K158 PolarHBondContact O-N 3.42Å; S155-C159 PolarHBondContact O-N 3.23Å; S155-C159 PolarHBondContact O-SG 3.41Å
156A92.4Very high92.7Very high3 Ų351 Ų513%0.02527%0.273CS..Hα-helixtrans-59-47.6171.800000110.9K148 S152 N153 K158 C159 Q160K148-A156 HydrophobicContact CB-CB 4.31Å; S152-A156 PolarHBondContact O-N 3.48Å; N153-A156 PolarHBondContact O-N 3.29Å; A156-K158 VanDerWaalsContact C-N 3.33Å; A156-K158 PolarHBondContact O-N 3.44Å; A156-C159 WeakPolarHBondContact O-CA 3.47Å; A156-C159 WeakPolarHBondContact O-CB 3.24Å; A156-C159 PolarHBondContact O-N 2.84Å; A156-Q160 WeakPolarHBondContact O-CG 3.44Å; A156-Q160 PolarHBondContact O-N 3.27Å
157M90.5Very high92.5Very high30 Ų3048.6 Ų48.615%0.14826%0.264CS..Hα-helixtrans-60-41.2177.8-173.9168.36900111.8N153 C159 Q160 L161 A183N153-M157 VanDerWaalsContact O-CB 3.23Å; N153-M157 WeakPolarHBondContact O-CB 3.48Å; N153-M157 PolarHBondContact O-N 3.43Å; M157-C159 VanDerWaalsContact C-N 3.29Å; M157-C159 PolarHBondContact O-N 3.18Å; M157-Q160 PolarHBondContact O-N 2.88Å; M157-L161 HydrophobicContact CG-CD1 4.12Å; M157-L161 HydrophobicContact CG-CG 4.32Å; M157-L161 WeakPolarHBondContact O-CB 3.34Å; M157-L161 WeakPolarHBondContact O-CG 3.42Å; M157-L161 PolarHBondContact O-N 3.14Å; M157-A183 HydrophobicContact CG-CB 3.91Å; M157-A183 HydrophobicContact SD-CB 3.85Å
158K91.7Very high92Very high143 Ų14348.2 Ų48.262%0.62226%0.262SS*.Hα-helixtrans-57.5-42.1173.6-75172.8-1771800112.3S154 S155 A156 A162S154-K158 WeakPolarHBondContact O-CG 3.38Å; S154-K158 PolarHBondContact O-N 2.89Å; S155-K158 PolarHBondContact O-N 3.42Å; A156-K158 VanDerWaalsContact C-N 3.33Å; A156-K158 PolarHBondContact O-N 3.44Å; K158-A162 PolarHBondContact O-N 3.41Å
159C95.1Very high91.7Very high0 Ų047.8 Ų47.80%026%0.262CS..Hα-helixtrans-68-44.3177.3-59.90000111.3M120 A144 S155 A156 M157 L161 A162 V163M120-C159 VanDerWaalsContact SD-SG 3.66Å; A144-C159 HydrophobicContact CB-CB 3.73Å; S155-C159 PolarHBondContact O-N 3.23Å; S155-C159 PolarHBondContact O-SG 3.41Å; A156-C159 WeakPolarHBondContact O-CA 3.47Å; A156-C159 WeakPolarHBondContact O-CB 3.24Å; A156-C159 PolarHBondContact O-N 2.84Å; M157-C159 VanDerWaalsContact C-N 3.29Å; M157-C159 PolarHBondContact O-N 3.18Å; C159-L161 VanDerWaalsContact C-N 3.32Å; C159-L161 PolarHBondContact O-N 2.95Å; C159-A162 WeakPolarHBondContact O-CB 3.36Å; C159-A162 PolarHBondContact O-N 3.25Å; C159-A162 VanDerWaalsContact O-N 3.17Å; C159-V163 WeakPolarHBondContact O-CG2 3.36Å; C159-V163 PolarHBondContact O-N 2.94Å
160Q94.6Very high91.4Very high36 Ų3647.8 Ų47.817%0.16825%0.246CC..Hα-helixtrans-61.5-38.6177.6-70.7174.4-69.500112.4A144 A156 M157 A162 V163 A164 L179 E182A144-Q160 HydrophobicContact CB-CG 4.06Å; A156-Q160 WeakPolarHBondContact O-CG 3.44Å; A156-Q160 PolarHBondContact O-N 3.27Å; M157-Q160 PolarHBondContact O-N 2.88Å; Q160-A162 VanDerWaalsContact C-N 3.35Å; Q160-V163 WeakPolarHBondContact O-CB 3.49Å; Q160-V163 PolarHBondContact O-N 3.09Å; Q160-A164 WeakPolarHBondContact O-CB 3.48Å; Q160-A164 PolarHBondContact O-N 3.46Å; Q160-L179 HydrophobicContact CB-CD2 4.29Å; Q160-L179 HydrophobicContact CG-CD2 4.37Å; Q160-E182 PolarHBondContact NE2-OE2 3.47Å
161L93Very high91Very high28 Ų2845.7 Ų45.715%0.14725%0.248CC..Hα-helixtrans-64.3-39.7175.4-70170.2000111.8M157 C159 A164 Q165 F180 A183 H200M157-L161 HydrophobicContact CG-CD1 4.12Å; M157-L161 HydrophobicContact CG-CG 4.32Å; M157-L161 WeakPolarHBondContact O-CB 3.34Å; M157-L161 WeakPolarHBondContact O-CG 3.42Å; M157-L161 PolarHBondContact O-N 3.14Å; C159-L161 VanDerWaalsContact C-N 3.32Å; C159-L161 PolarHBondContact O-N 2.95Å; L161-A164 PolarHBondContact O-N 2.82Å; L161-Q165 WeakPolarHBondContact O-CG 3.45Å; L161-Q165 PolarHBondContact O-N 3.03Å; L161-F180 HydrophobicContact CD2-CD1 3.52Å; L161-F180 HydrophobicContact CD2-CE1 3.66Å; L161-A183 HydrophobicContact CD2-CB 3.73Å; L161-A183 HydrophobicContact CG-CB 4.36Å; L161-H200 WeakPolarHBondContact CD1-CE1 3.48Å; L161-H200 WeakPolarHBondContact CD2-ND1 3.47Å
162A94.2Very high91Very high15 Ų1541.8 Ų41.812%0.12423%0.23CC..Hα-helixtrans-64.2-43.6173.500000111.2Y140 K158 C159 Q160 A164 Q165 L166Y140-A162 HydrophobicContact CD1-CB 4.11Å; Y140-A162 HydrophobicContact CD2-CB 4.08Å; Y140-A162 HydrophobicContact CE1-CB 4Å; Y140-A162 HydrophobicContact CE2-CB 3.98Å; Y140-A162 HydrophobicContact CG-CB 4.16Å; K158-A162 PolarHBondContact O-N 3.41Å; C159-A162 WeakPolarHBondContact O-CB 3.36Å; C159-A162 PolarHBondContact O-N 3.25Å; C159-A162 VanDerWaalsContact O-N 3.17Å; Q160-A162 VanDerWaalsContact C-N 3.35Å; A162-A164 VanDerWaalsContact C-N 3.3Å; A162-A164 PolarHBondContact O-N 2.99Å; A162-Q165 PolarHBondContact O-N 3.04Å; A162-L166 WeakPolarHBondContact O-CG 3.5Å; A162-L166 PolarHBondContact O-N 3.46Å
163V95.3Very high90.9Very high3 Ų340.2 Ų40.22%0.01822%0.219CC..Hα-helixtrans-56.7-44.9172.8173.80000111I137 Y140 E141 C159 Q160 Q165 L166 A167 L179I137-V163 HydrophobicContact CG2-CG1 3.95Å; Y140-V163 VanDerWaalsContact CB-CG2 3.47Å; E141-V163 HydrophobicContact CG-CG1 4.06Å; E141-V163 HydrophobicContact CG-CG2 3.72Å; C159-V163 WeakPolarHBondContact O-CG2 3.36Å; C159-V163 PolarHBondContact O-N 2.94Å; Q160-V163 WeakPolarHBondContact O-CB 3.49Å; Q160-V163 PolarHBondContact O-N 3.09Å; V163-Q165 PolarHBondContact O-N 3.29Å; V163-L166 PolarHBondContact O-N 3.42Å; V163-A167 WeakPolarHBondContact O-CB 3.32Å; V163-A167 PolarHBondContact O-N 3.04Å; V163-L179 HydrophobicContact CB-CD1 4.11Å; V163-L179 HydrophobicContact CG1-CD1 3.64Å
164A93.3Very high91Very high0 Ų039 Ų390%021%0.212CC..Hα-helixtrans-62.6-42.6179.800000112.1Q160 L161 A162 L166 C168 A176 L179 F180Q160-A164 WeakPolarHBondContact O-CB 3.48Å; Q160-A164 PolarHBondContact O-N 3.46Å; L161-A164 PolarHBondContact O-N 2.82Å; A162-A164 VanDerWaalsContact C-N 3.3Å; A162-A164 PolarHBondContact O-N 2.99Å; A164-L166 PolarHBondContact O-N 3.47Å; A164-C168 WeakPolarHBondContact O-CB 3.44Å; A164-C168 PolarHBondContact O-N 3.32Å; A164-C168 VanDerWaalsContact O-N 3.17Å; A164-A176 HydrophobicContact CB-CB 4.24Å; A164-A176 WeakPolarHBondContact O-CB 3.44Å; A164-L179 HydrophobicContact CB-CB 3.81Å; A164-L179 HydrophobicContact CB-CD1 4.13Å; A164-F180 HydrophobicContact CB-CD1 4.21Å; A164-F180 HydrophobicContact CB-CD2 3.82Å; A164-F180 HydrophobicContact CB-CE1 3.91Å; A164-F180 HydrophobicContact CB-CE2 3.47Å; A164-F180 VanDerWaalsContact CB-CE2 3.47Å; A164-F180 HydrophobicContact CB-CG 4.16Å; A164-F180 HydrophobicContact CB-CZ 3.53Å
165Q91.6Very high91.2Very high61 Ų6138.9 Ų38.929%0.28520%0.203SC..Hα-helixtrans-62.3-43.4177.5-72-179.5-4100112.3L161 A162 V163 F180 W274L161-Q165 WeakPolarHBondContact O-CG 3.45Å; L161-Q165 PolarHBondContact O-N 3.03Å; A162-Q165 PolarHBondContact O-N 3.04Å; V163-Q165 PolarHBondContact O-N 3.29Å; Q165-F180 HydrophobicContact CG-CZ 3.86Å; Q165-W274 HydrophobicContact CB-CZ2 4.45Å; Q165-W274 HydrophobicContact CG-CD2 4.25Å; Q165-W274 HydrophobicContact CG-CZ2 4.18Å; Q165-W274 PolarHBondContact O-NE1 3.33Å
166L92.5Very high91.2Very high3 Ų337.4 Ų37.42%0.01619%0.192CC..Hα-helixtrans-74.5-40179.9-66.9178.9000112.6E127 I133 A136 I137 Y140 A162 V163 A164 C168 Q169 L170E127-L166 HydrophobicContact CG-CD1 4.49Å; E127-L166 HydrophobicContact CG-CD2 3.87Å; I133-L166 HydrophobicContact CG2-CB 3.81Å; I133-L166 HydrophobicContact CG2-CD2 4.19Å; I133-L166 HydrophobicContact CG2-CG 4.45Å; A136-L166 HydrophobicContact CB-CD1 3.84Å; I137-L166 HydrophobicContact CD1-CB 3.98Å; I137-L166 HydrophobicContact CG1-CB 3.64Å; I137-L166 HydrophobicContact CG1-CD1 4.31Å; Y140-L166 HydrophobicContact CD2-CD1 3.82Å; Y140-L166 HydrophobicContact CE2-CD1 3.72Å; A162-L166 WeakPolarHBondContact O-CG 3.5Å; A162-L166 PolarHBondContact O-N 3.46Å; V163-L166 PolarHBondContact O-N 3.42Å; A164-L166 PolarHBondContact O-N 3.47Å; L166-C168 PolarHBondContact O-N 2.9Å; L166-Q169 WeakPolarHBondContact O-CB 3.36Å; L166-Q169 PolarHBondContact O-N 3.14Å; L166-L170 PolarHBondContact O-N 2.66Å
167A92.4Very high91.1Very high0 Ų037.2 Ų37.20%019%0.191CC..Hα-helixtrans-59.6-38.4176.900000111.3I137 V163 Q169 L170 G171 Q172 A176I137-A167 HydrophobicContact CD1-CB 4.26Å; V163-A167 WeakPolarHBondContact O-CB 3.32Å; V163-A167 PolarHBondContact O-N 3.04Å; A167-Q169 VanDerWaalsContact C-N 3.3Å; A167-Q169 PolarHBondContact O-N 2.9Å; A167-L170 PolarHBondContact O-N 3.06Å; A167-G171 PolarHBondContact O-N 3.43Å; A167-Q172 HydrophobicContact CB-CB 4.17Å; A167-Q172 WeakPolarHBondContact O-CA 3.45Å; A167-Q172 WeakPolarHBondContact O-CB 3.44Å; A167-Q172 PolarHBondContact O-N 2.95Å; A167-A176 HydrophobicContact CB-CB 4.42Å
168C88.4Confident91.2Very high1 Ų140.5 Ų40.51%0.00721%0.209CC..Hα-helixtrans-63.7-34.6175.5-165.10000112.6A164 L166 L170 G171 C173 A176 W274 L278A164-C168 WeakPolarHBondContact O-CB 3.44Å; A164-C168 PolarHBondContact O-N 3.32Å; A164-C168 VanDerWaalsContact O-N 3.17Å; L166-C168 PolarHBondContact O-N 2.9Å; C168-L170 VanDerWaalsContact C-N 3.33Å; C168-L170 PolarHBondContact O-N 3.42Å; C168-G171 PolarHBondContact O-N 3.11Å; C168-G171 VanDerWaalsContact O-N 3.08Å; C168-C173 PolarHBondContact SG-SG 3.36Å; C168-A176 HydrophobicContact CB-CB 3.93Å; C168-W274 HydrophobicContact CB-CZ2 3.95Å; C168-L278 WeakPolarHBondContact SG-CD2 3.31Å
169Q86.3Confident91.2Very high110 Ų11035 Ų3551%0.51419%0.186SC..Hα-helixtrans-66.6-34.1174.7-65.3177.1-9.500112.3I133 L166 A167 G171I133-Q169 HydrophobicContact CD1-CB 4.21Å; L166-Q169 WeakPolarHBondContact O-CB 3.36Å; L166-Q169 PolarHBondContact O-N 3.14Å; A167-Q169 VanDerWaalsContact C-N 3.3Å; A167-Q169 PolarHBondContact O-N 2.9Å; Q169-G171 PolarHBondContact O-N 2.95Å
170L87.8Confident91.1Very high63 Ų6335 Ų3533%0.3319%0.187SC..THydrogen-bonded Turntrans-76.43.9172.3-67.9-179.3000113.8I133 E134 I137 L166 A167 C168 Q172I133-L170 HydrophobicContact CB-CD1 4.39Å; I133-L170 HydrophobicContact CB-CD2 4Å; I133-L170 HydrophobicContact CB-CG 4.17Å; I133-L170 HydrophobicContact CD1-CD2 4.38Å; I133-L170 HydrophobicContact CG2-CD1 3.94Å; I133-L170 HydrophobicContact CG2-CD2 4.11Å; I133-L170 HydrophobicContact CG2-CG 3.71Å; E134-L170 HydrophobicContact CG-CD1 3.82Å; E134-L170 HydrophobicContact CG-CD2 4.45Å; I137-L170 HydrophobicContact CD1-CD1 3.51Å; I137-L170 HydrophobicContact CD1-CG 4.39Å; L166-L170 PolarHBondContact O-N 2.66Å; A167-L170 PolarHBondContact O-N 3.06Å; C168-L170 VanDerWaalsContact C-N 3.33Å; C168-L170 PolarHBondContact O-N 3.42Å; L170-Q172 HydrophobicContact CB-CG 4.39Å; L170-Q172 PolarHBondContact O-N 3.07Å
171G85.4Confident90.9Very high43 Ų4334.7 Ų34.744%0.44319%0.185SC..THydrogen-bonded Turntrans77.74.2-175.900000114.3A167 C168 Q169 C173A167-G171 PolarHBondContact O-N 3.43Å; C168-G171 PolarHBondContact O-N 3.11Å; C168-G171 VanDerWaalsContact O-N 3.08Å; Q169-G171 PolarHBondContact O-N 2.95Å; G171-C173 PolarHBondContact O-N 2.92Å
172Q90Very high90.7Very high85 Ų8537.5 Ų37.540%0.39720%0.197SC..  trans-82.353.6174.5-57.9178.3-5.300110.7A167 L170 D174 K175 A176A167-Q172 HydrophobicContact CB-CB 4.17Å; A167-Q172 WeakPolarHBondContact O-CA 3.45Å; A167-Q172 WeakPolarHBondContact O-CB 3.44Å; A167-Q172 PolarHBondContact O-N 2.95Å; L170-Q172 HydrophobicContact CB-CG 4.39Å; L170-Q172 PolarHBondContact O-N 3.07Å; Q172-D174 VanDerWaalsContact C-N 3.29Å; Q172-D174 PolarHBondContact O-N 3.13Å; Q172-K175 HydrophobicContact CB-CB 4.32Å; Q172-K175 PolarHBondContact O-N 3.13Å; Q172-A176 PolarHBondContact O-N 3.22Å; Q172-A176 VanDerWaalsContact O-N 3.15Å
173C89Confident90.4Very high5 Ų537 Ų373%0.03419%0.193CC..Hα-helixtrans-62.5-33.7-176-65.10000112.5C168 G171 K175 A176 A177 C210 V211C168-C173 PolarHBondContact SG-SG 3.36Å; G171-C173 PolarHBondContact O-N 2.92Å; C173-K175 PolarHBondContact O-N 3.32Å; C173-A176 WeakPolarHBondContact O-CB 3.48Å; C173-A176 PolarHBondContact O-N 2.81Å; C173-A177 WeakPolarHBondContact O-CB 3.21Å; C173-A177 PolarHBondContact O-N 3.47Å; C173-C210 HydrophobicContact CB-CB 4.21Å; C173-V211 HydrophobicContact CB-CG2 3.53Å
174D89.6Confident90Very high84 Ų8436.8 Ų36.845%0.44919%0.192SC..Hα-helixtrans-58.8-47.2174.8-65-77.6000112.4Q172 A176 A177 N178 V211Q172-D174 VanDerWaalsContact C-N 3.29Å; Q172-D174 PolarHBondContact O-N 3.13Å; D174-A176 VanDerWaalsContact C-N 3.34Å; D174-A177 PolarHBondContact O-N 3.43Å; D174-N178 PolarHBondContact O-N 2.88Å; D174-N178 VanDerWaalsContact O-N 3.14Å; D174-N178 PolarHBondContact O-ND2 2.89Å; D174-V211 HydrophobicContact CB-CG2 4.43Å; D174-V211 VanDerWaalsContact OD1-CG1 3.31Å; D174-V211 WeakPolarHBondContact OD1-CG1 3.31Å; D174-V211 WeakPolarHBondContact OD1-CG2 3.5Å
175K90.8Very high89.7Confident72 Ų7241.2 Ų41.231%0.31321%0.211SC..Hα-helixtrans-64-43.1178.1-175.8-179.2177.9-177.70110.6E141 Q172 C173 N178 L179E141-K175 VanDerWaalsContact OE1-CE 3.26Å; E141-K175 WeakPolarHBondContact OE1-CE 3.49Å; E141-K175 IonicContact OE1-NZ 2.82Å; E141-K175 PolarHBondContact OE1-NZ 2.95Å; Q172-K175 HydrophobicContact CB-CB 4.32Å; Q172-K175 PolarHBondContact O-N 3.13Å; C173-K175 PolarHBondContact O-N 3.32Å; K175-N178 PolarHBondContact O-N 2.85Å; K175-L179 HydrophobicContact CG-CD1 4.37Å; K175-L179 WeakPolarHBondContact O-CG 3.47Å; K175-L179 PolarHBondContact O-N 3.4Å
176A91.3Very high89.3Confident0 Ų040.7 Ų40.70%022%0.217CC..Hα-helixtrans-60.9-45176.800000112A164 A167 C168 Q172 C173 D174 N178 L179 F180A164-A176 HydrophobicContact CB-CB 4.24Å; A164-A176 WeakPolarHBondContact O-CB 3.44Å; A167-A176 HydrophobicContact CB-CB 4.42Å; C168-A176 HydrophobicContact CB-CB 3.93Å; Q172-A176 PolarHBondContact O-N 3.22Å; Q172-A176 VanDerWaalsContact O-N 3.15Å; C173-A176 WeakPolarHBondContact O-CB 3.48Å; C173-A176 PolarHBondContact O-N 2.81Å; D174-A176 VanDerWaalsContact C-N 3.34Å; A176-N178 PolarHBondContact O-N 3.45Å; A176-L179 PolarHBondContact O-N 3.16Å; A176-F180 HydrophobicContact CB-CE2 4.36Å; A176-F180 WeakPolarHBondContact O-CD2 3.37Å; A176-F180 PolarHBondContact O-N 3.05Å
177A91.2Very high88.8Confident0 Ų040.6 Ų40.60%022%0.217CC..Hα-helixtrans-58.1-47.9178.600000111.5C173 D174 L179 F180 E181 C207C173-A177 WeakPolarHBondContact O-CB 3.21Å; C173-A177 PolarHBondContact O-N 3.47Å; D174-A177 PolarHBondContact O-N 3.43Å; A177-L179 PolarHBondContact O-N 2.94Å; A177-F180 PolarHBondContact O-N 3.08Å; A177-E181 WeakPolarHBondContact O-CG 3.23Å; A177-E181 PolarHBondContact O-N 3.09Å; A177-C207 HydrophobicContact CB-CB 3.68Å
178N91.8Very high88.1Confident99 Ų9941.8 Ų41.853%0.52922%0.223SC..Hα-helixtrans-60-42.7178.5-70.6-34.2000112.8D174 K175 A176 E181 E182D174-N178 PolarHBondContact O-N 2.88Å; D174-N178 VanDerWaalsContact O-N 3.14Å; D174-N178 PolarHBondContact O-ND2 2.89Å; K175-N178 PolarHBondContact O-N 2.85Å; A176-N178 PolarHBondContact O-N 3.45Å; N178-E181 PolarHBondContact O-N 3.24Å; N178-E182 PolarHBondContact O-N 3.48Å
179L92.7Very high87.5Confident27 Ų2749.8 Ų49.814%0.14126%0.26CS..Hα-helixtrans-67.1-40.3178.1-71.7171000112.3Q160 V163 A164 K175 A176 A177 E181 E182 A183Q160-L179 HydrophobicContact CB-CD2 4.29Å; Q160-L179 HydrophobicContact CG-CD2 4.37Å; V163-L179 HydrophobicContact CB-CD1 4.11Å; V163-L179 HydrophobicContact CG1-CD1 3.64Å; A164-L179 HydrophobicContact CB-CB 3.81Å; A164-L179 HydrophobicContact CB-CD1 4.13Å; K175-L179 HydrophobicContact CG-CD1 4.37Å; K175-L179 WeakPolarHBondContact O-CG 3.47Å; K175-L179 PolarHBondContact O-N 3.4Å; A176-L179 PolarHBondContact O-N 3.16Å; A177-L179 PolarHBondContact O-N 2.94Å; L179-E181 VanDerWaalsContact C-N 3.35Å; L179-E182 PolarHBondContact O-N 3.01Å; L179-A183 WeakPolarHBondContact O-CB 3.44Å; L179-A183 PolarHBondContact O-N 2.98Å
180F92.4Very high86.9Confident1 Ų147.7 Ų47.70%0.00425%0.252CS..Hα-helixtrans-66.8-36.4174.6-75.6-55.7000112.3L161 A164 Q165 A176 A177 A183 G184 K203 A204 W274L161-F180 HydrophobicContact CD2-CD1 3.52Å; L161-F180 HydrophobicContact CD2-CE1 3.66Å; A164-F180 HydrophobicContact CB-CD1 4.21Å; A164-F180 HydrophobicContact CB-CD2 3.82Å; A164-F180 HydrophobicContact CB-CE1 3.91Å; A164-F180 HydrophobicContact CB-CE2 3.47Å; A164-F180 VanDerWaalsContact CB-CE2 3.47Å; A164-F180 HydrophobicContact CB-CG 4.16Å; A164-F180 HydrophobicContact CB-CZ 3.53Å; Q165-F180 HydrophobicContact CG-CZ 3.86Å; A176-F180 HydrophobicContact CB-CE2 4.36Å; A176-F180 WeakPolarHBondContact O-CD2 3.37Å; A176-F180 PolarHBondContact O-N 3.05Å; A177-F180 PolarHBondContact O-N 3.08Å; F180-A183 PolarHBondContact O-N 3.06Å; F180-G184 PolarHBondContact O-N 3.14Å; F180-K203 HydrophobicContact CB-CB 4.49Å; F180-K203 HydrophobicContact CD1-CB 3.89Å; F180-K203 HydrophobicContact CD1-CD 4.26Å; F180-K203 HydrophobicContact CD2-CB 3.94Å; F180-K203 HydrophobicContact CE1-CB 4.03Å; F180-K203 HydrophobicContact CE1-CD 3.77Å; F180-K203 HydrophobicContact CE2-CB 4.09Å; F180-K203 HydrophobicContact CG-CB 3.86Å; F180-K203 HydrophobicContact CZ-CB 4.13Å; F180-K203 HydrophobicContact CZ-CD 4.12Å; F180-A204 HydrophobicContact CB-CB 3.69Å; F180-W274 HydrophobicContact CD2-CH2 4.34Å; F180-W274 AromaticContact CE2-CH2 3.34Å; F180-W274 HydrophobicContact CE2-CH2 3.34Å; F180-W274 AromaticContact CE2-CZ2 3.81Å; F180-W274 HydrophobicContact CE2-CZ2 3.81Å; F180-W274 HydrophobicContact CE2-CZ3 4.21Å; F180-W274 AromaticContact CZ-CH2 3.62Å; F180-W274 HydrophobicContact CZ-CH2 3.62Å; F180-W274 AromaticContact CZ-CZ2 3.96Å; F180-W274 HydrophobicContact CZ-CZ2 3.96Å; F180-W274 HydrophobicContact CZ-CZ3 4.19Å
181E90Very high85.8Confident28 Ų2850.4 Ų50.413%0.13127%0.267CS..Hα-helixtrans-63.8-44.8173.3-79.5-165.2-167.600112.6A177 N178 L179 A183 G184 K185 A204 H208 Y223A177-E181 WeakPolarHBondContact O-CG 3.23Å; A177-E181 PolarHBondContact O-N 3.09Å; N178-E181 PolarHBondContact O-N 3.24Å; L179-E181 VanDerWaalsContact C-N 3.35Å; E181-A183 VanDerWaalsContact C-N 3.32Å; E181-A183 PolarHBondContact O-N 3.45Å; E181-G184 PolarHBondContact O-N 3.47Å; E181-K185 WeakPolarHBondContact O-CB 3.1Å; E181-K185 VanDerWaalsContact O-CG 3.31Å; E181-K185 WeakPolarHBondContact O-CG 3.48Å; E181-K185 PolarHBondContact O-N 3.28Å; E181-K185 IonicContact OE2-NZ 2.61Å; E181-K185 PolarHBondContact OE2-NZ 2.97Å; E181-A204 HydrophobicContact CG-CB 3.76Å; E181-H208 IonicContact OE1-CD2 2.66Å; E181-H208 IonicContact OE1-CE1 3.62Å; E181-H208 IonicContact OE1-NE2 2.64Å; E181-H208 PolarHBondContact OE1-NE2 2.62Å; E181-Y223 HydrophobicContact CG-CE1 4.13Å; E181-Y223 WeakPolarHBondContact CG-OH 3.47Å; E181-Y223 PolarHBondContact OE1-OH 2.92Å
182E89.7Confident84.9Confident87 Ų8755.7 Ų55.741%0.40728%0.284SS..Hα-helixtrans-59.4-46.4177.1-170.8-177173.200110.2Q160 N178 L179 G184 K185 A186Q160-E182 PolarHBondContact NE2-OE2 3.47Å; N178-E182 PolarHBondContact O-N 3.48Å; L179-E182 PolarHBondContact O-N 3.01Å; E182-G184 VanDerWaalsContact C-N 3.33Å; E182-G184 PolarHBondContact O-N 3.43Å; E182-K185 PolarHBondContact O-N 3.48Å; E182-A186 WeakPolarHBondContact O-CB 3.47Å; E182-A186 PolarHBondContact O-N 3.37Å
183A88.1Confident83.9Confident4 Ų454.8 Ų54.83%0.03328%0.282CS..Hα-helixtrans-62-38.6175.300000112.7M157 L161 L179 F180 E181 S187 H200M157-A183 HydrophobicContact CG-CB 3.91Å; M157-A183 HydrophobicContact SD-CB 3.85Å; L161-A183 HydrophobicContact CD2-CB 3.73Å; L161-A183 HydrophobicContact CG-CB 4.36Å; L179-A183 WeakPolarHBondContact O-CB 3.44Å; L179-A183 PolarHBondContact O-N 2.98Å; F180-A183 PolarHBondContact O-N 3.06Å; E181-A183 VanDerWaalsContact C-N 3.32Å; E181-A183 PolarHBondContact O-N 3.45Å; A183-S187 VanDerWaalsContact O-CB 3.24Å; A183-S187 WeakPolarHBondContact O-CB 3.41Å; A183-S187 PolarHBondContact O-N 3.49Å; A183-S187 PolarHBondContact O-OG 3.32Å; A183-H200 HydrophobicContact CB-CB 4.4Å
184G86.2Confident82.8Confident0 Ų057.6 Ų57.60%029%0.294CS..Hα-helixtrans-63.8-49.6175.100000112.3F180 E181 E182 S187 M188F180-G184 PolarHBondContact O-N 3.14Å; E181-G184 PolarHBondContact O-N 3.47Å; E182-G184 VanDerWaalsContact C-N 3.33Å; E182-G184 PolarHBondContact O-N 3.43Å; G184-S187 PolarHBondContact O-N 2.72Å; G184-M188 WeakPolarHBondContact O-CG 3.48Å; G184-M188 PolarHBondContact O-N 3.19Å
185K85.7Confident81.7Confident93 Ų9363.4 Ų63.440%0.40431%0.311SS..Hα-helixtrans-60.2-48.8177.4-71.7165.4-171.3159.30111E181 E182 S187 M188 E189 Y227E181-K185 WeakPolarHBondContact O-CB 3.1Å; E181-K185 VanDerWaalsContact O-CG 3.31Å; E181-K185 WeakPolarHBondContact O-CG 3.48Å; E181-K185 PolarHBondContact O-N 3.28Å; E181-K185 IonicContact OE2-NZ 2.61Å; E181-K185 PolarHBondContact OE2-NZ 2.97Å; E182-K185 PolarHBondContact O-N 3.48Å; K185-S187 VanDerWaalsContact C-N 3.3Å; K185-S187 PolarHBondContact O-N 3.03Å; K185-M188 WeakPolarHBondContact O-CB 3.3Å; K185-M188 PolarHBondContact O-N 3.47Å; K185-M188 VanDerWaalsContact O-N 3.11Å; K185-E189 PolarHBondContact O-N 3.12Å; K185-Y227 WeakPolarHBondContact CG-OH 3.46Å
186A84Confident80.9Confident49 Ų4961.8 Ų61.841%0.40531%0.314SS..Hα-helixtrans-61.2-37.2177.100000112.7E182 M188E182-A186 WeakPolarHBondContact O-CB 3.47Å; E182-A186 PolarHBondContact O-N 3.37Å; A186-M188 VanDerWaalsContact C-N 3.34Å
187S82.5Confident80.3Confident2 Ų261.8 Ų61.81%0.01431%0.314CS..Hα-helixtrans-71.3-26.9177-63.10000113.1A183 G184 K185 N190 L193 K194A183-S187 VanDerWaalsContact O-CB 3.24Å; A183-S187 WeakPolarHBondContact O-CB 3.41Å; A183-S187 PolarHBondContact O-N 3.49Å; A183-S187 PolarHBondContact O-OG 3.32Å; G184-S187 PolarHBondContact O-N 2.72Å; K185-S187 VanDerWaalsContact C-N 3.3Å; K185-S187 PolarHBondContact O-N 3.03Å; S187-N190 PolarHBondContact O-N 2.97Å; S187-N190 VanDerWaalsContact O-O 3.04Å; S187-L193 CarbonylContact O-C 3.56Å; S187-K194 PolarHBondContact O-N 3.04Å
188M77.4Confident79.7Confident24 Ų2463.5 Ų63.512%0.11832%0.322CS..Hα-helixtrans-73-34.5176.6-75.8-57.3-68.100113.2G184 K185 A186 N190 K194 A197 Y227 M229 F230G184-M188 WeakPolarHBondContact O-CG 3.48Å; G184-M188 PolarHBondContact O-N 3.19Å; K185-M188 WeakPolarHBondContact O-CB 3.3Å; K185-M188 PolarHBondContact O-N 3.47Å; K185-M188 VanDerWaalsContact O-N 3.11Å; A186-M188 VanDerWaalsContact C-N 3.34Å; M188-N190 PolarHBondContact O-N 2.81Å; M188-K194 WeakPolarHBondContact O-CE 3.28Å; M188-A197 HydrophobicContact CG-CB 3.6Å; M188-A197 HydrophobicContact SD-CB 3.41Å; M188-A197 WeakPolarHBondContact SD-CB 3.43Å; M188-Y227 HydrophobicContact CB-CE1 4.06Å; M188-Y227 HydrophobicContact CE-CD1 3.58Å; M188-Y227 HydrophobicContact CE-CE1 3.95Å; M188-Y227 HydrophobicContact CE-CG 4.37Å; M188-Y227 HydrophobicContact CG-CD1 4.14Å; M188-Y227 HydrophobicContact CG-CE1 3.64Å; M188-Y227 HydrophobicContact SD-CD1 4.46Å; M188-M229 HydrophobicContact CE-CE 4.49Å; M188-M229 HydrophobicContact CE-SD 3.65Å; M188-F230 HydrophobicContact CE-CE2 4.41Å; M188-F230 HydrophobicContact CE-CZ 4.13Å; M188-F230 HydrophobicContact SD-CE2 4.15Å; M188-F230 HydrophobicContact SD-CZ 3.64Å
189E76Confident79.2Confident169 Ų16960.4 Ų60.479%0.7931%0.313SS*.Hα-helixtrans-64.8-24.2174.5-66.8178.9176.500111.7K185K185-E189 PolarHBondContact O-N 3.12Å
190N73.4Confident78.9Confident67 Ų6760.6 Ų60.636%0.35831%0.313SS..SBendtrans-95.7111.4177.6-170.9-28.4000112.1S187 M188 L192 L193 K194S187-N190 PolarHBondContact O-N 2.97Å; S187-N190 VanDerWaalsContact O-O 3.04Å; M188-N190 PolarHBondContact O-N 2.81Å; N190-L192 PolarHBondContact O-N 3.06Å; N190-L192 WeakPolarHBondContact OD1-CB 3.36Å; N190-L192 PolarHBondContact OD1-N 3.15Å; N190-L193 HydrophobicContact CB-CB 4.13Å; N190-L193 HydrophobicContact CB-CD1 4.13Å; N190-L193 HydrophobicContact CB-CG 4.2Å; N190-L193 PolarHBondContact O-N 3.45Å; N190-K194 WeakPolarHBondContact O-CG 3.33Å; N190-K194 PolarHBondContact O-N 3.26Å
191N63.9Low78.5Confident120 Ų12060.8 Ų60.864%0.64231%0.314SS*.THydrogen-bonded Turntrans-51.1-30.3179.1-72.1-41000114.9K194N191-K194 WeakPolarHBondContact OD1-CE 3.43Å; N191-K194 PolarHBondContact OD1-NZ 3.27Å
192L67.9Low78.2Confident153 Ų15360 Ų6080%0.80131%0.31SS*.THydrogen-bonded Turntrans-80-29.6178.8-63.9170.9000112.8N190N190-L192 PolarHBondContact O-N 3.06Å; N190-L192 WeakPolarHBondContact OD1-CB 3.36Å; N190-L192 PolarHBondContact OD1-N 3.15Å
193L68.5Low78.1Confident67 Ų6756.9 Ų56.935%0.35130%0.296SS..THydrogen-bonded Turntrans-99.2-1.5-172.9-58.6177.6000113.5S187 N190 Y195 G196 A197S187-L193 CarbonylContact O-C 3.56Å; N190-L193 HydrophobicContact CB-CB 4.13Å; N190-L193 HydrophobicContact CB-CD1 4.13Å; N190-L193 HydrophobicContact CB-CG 4.2Å; N190-L193 PolarHBondContact O-N 3.45Å; L193-Y195 PolarHBondContact O-N 3Å; L193-G196 WeakPolarHBondContact O-CA 3.5Å; L193-G196 PolarHBondContact O-N 3.06Å; L193-A197 PolarHBondContact O-N 3.29Å
194K66.5Low78.1Confident63 Ų6356.7 Ų56.727%0.27429%0.294SS..Hα-helixtrans-48.7-37.1179.8-72-176.9175.3174.90113.8S187 M188 N190 N191 A197S187-K194 PolarHBondContact O-N 3.04Å; M188-K194 WeakPolarHBondContact O-CE 3.28Å; N190-K194 WeakPolarHBondContact O-CG 3.33Å; N190-K194 PolarHBondContact O-N 3.26Å; N191-K194 WeakPolarHBondContact OD1-CE 3.43Å; N191-K194 PolarHBondContact OD1-NZ 3.27Å; K194-A197 WeakPolarHBondContact O-CB 3.48Å; K194-A197 PolarHBondContact O-N 3.02Å
195Y66.9Low78.1Confident206 Ų20656.8 Ų56.881%0.80830%0.295SS*.Hα-helixtrans-72.4-31.5178.1-62.7-75.8000113.1L193L193-Y195 PolarHBondContact O-N 3Å
196G73.8Confident78.1Confident38 Ų3852.4 Ų52.439%0.39228%0.276SS..Hα-helixtrans-74.2-28.5173.800000113.1L193 K198 G199 H200L193-G196 WeakPolarHBondContact O-CA 3.5Å; L193-G196 PolarHBondContact O-N 3.06Å; G196-K198 VanDerWaalsContact C-N 3.26Å; G196-K198 PolarHBondContact O-N 2.6Å; G196-G199 PolarHBondContact O-N 3.35Å; G196-H200 PolarHBondContact O-CD2 3.27Å; G196-H200 PolarHBondContact O-N 3.29Å
197A78.9Confident78.3Confident0 Ų050.1 Ų50.10%026%0.257CS..Hα-helixtrans-56.8-38.9177.800000112.8M188 L193 K194 G199 H200 L201M188-A197 HydrophobicContact CG-CB 3.6Å; M188-A197 HydrophobicContact SD-CB 3.41Å; M188-A197 WeakPolarHBondContact SD-CB 3.43Å; L193-A197 PolarHBondContact O-N 3.29Å; K194-A197 WeakPolarHBondContact O-CB 3.48Å; K194-A197 PolarHBondContact O-N 3.02Å; A197-G199 VanDerWaalsContact C-N 3.28Å; A197-G199 PolarHBondContact O-N 2.9Å; A197-H200 PolarHBondContact O-N 3.28Å; A197-H200 VanDerWaalsContact O-N 3.13Å; A197-L201 WeakPolarHBondContact O-CG 3.4Å; A197-L201 PolarHBondContact O-N 3.34Å
198K77.8Confident78.6Confident37 Ų3751 Ų5116%0.16126%0.261CS..Hα-helixtrans-55.4-43.8174.5-177.4-175.8176.9-174.70111.6G196 H200 F202 F230 N236 F239G196-K198 VanDerWaalsContact C-N 3.26Å; G196-K198 PolarHBondContact O-N 2.6Å; K198-H200 VanDerWaalsContact C-N 3.35Å; K198-H200 PolarHBondContact O-N 3.44Å; K198-F202 VanDerWaalsContact O-CB 3.31Å; K198-F202 WeakPolarHBondContact O-CB 3.37Å; K198-F202 PolarHBondContact O-N 3.41Å; K198-F230 HydrophobicContact CB-CD1 4.42Å; K198-F230 HydrophobicContact CB-CE1 3.9Å; K198-F230 HydrophobicContact CB-CZ 4.14Å; K198-F230 HydrophobicContact CG-CD1 4.48Å; K198-F230 HydrophobicContact CG-CE1 4.45Å; K198-N236 WeakPolarHBondContact CE-OD1 3.46Å; K198-N236 PolarHBondContact NZ-OD1 3.01Å; K198-F239 HydrophobicContact CD-CG 4.5Å; K198-F239 VanDerWaalsContact CE-CB 3.42Å; K198-F239 VanDerWaalsContact CE-CD2 3.41Å; K198-F239 HydrophobicContact CG-CE1 4.21Å; K198-F239 HydrophobicContact CG-CE2 4.28Å; K198-F239 HydrophobicContact CG-CZ 4.09Å
199G81.3Confident79Confident33 Ų3350.3 Ų50.334%0.3426%0.257SS..Hα-helixtrans-63.5-39.2178.100000112.6G196 A197 K203G196-G199 PolarHBondContact O-N 3.35Å; A197-G199 VanDerWaalsContact C-N 3.28Å; A197-G199 PolarHBondContact O-N 2.9Å; G199-K203 VanDerWaalsContact O-CG 3.32Å; G199-K203 WeakPolarHBondContact O-CG 3.36Å; G199-K203 PolarHBondContact O-N 2.84Å; G199-K203 VanDerWaalsContact O-N 3.16Å
200H86.3Confident79.4Confident32 Ų3243.8 Ų43.815%0.14823%0.229CC..Hα-helixtrans-70.1-46.1176.9-63.3-49.5000112.4L161 A183 G196 A197 K198 F202 K203 A204L161-H200 WeakPolarHBondContact CD1-CE1 3.48Å; L161-H200 WeakPolarHBondContact CD2-ND1 3.47Å; A183-H200 HydrophobicContact CB-CB 4.4Å; G196-H200 PolarHBondContact O-CD2 3.27Å; G196-H200 PolarHBondContact O-N 3.29Å; A197-H200 PolarHBondContact O-N 3.28Å; A197-H200 VanDerWaalsContact O-N 3.13Å; K198-H200 VanDerWaalsContact C-N 3.35Å; K198-H200 PolarHBondContact O-N 3.44Å; H200-F202 VanDerWaalsContact C-N 3.26Å; H200-F202 PolarHBondContact O-N 3.41Å; H200-K203 PolarHBondContact O-N 3.38Å; H200-K203 VanDerWaalsContact O-N 3.16Å; H200-A204 PolarHBondContact O-N 3.42Å
201L84.6Confident79.9Confident5 Ų543 Ų433%0.02623%0.227CC..Hα-helixtrans-63.5-33.7176.7-66.4173.6000112A197 A204 A205 Y223 Y227 F230A197-L201 WeakPolarHBondContact O-CG 3.4Å; A197-L201 PolarHBondContact O-N 3.34Å; L201-A204 WeakPolarHBondContact O-CB 3.44Å; L201-A204 PolarHBondContact O-N 3.39Å; L201-A205 PolarHBondContact O-N 3.06Å; L201-Y223 HydrophobicContact CB-CD2 4.29Å; L201-Y223 HydrophobicContact CB-CE2 4.39Å; L201-Y223 HydrophobicContact CD2-CD1 4.16Å; L201-Y223 HydrophobicContact CD2-CE1 4.04Å; L201-Y223 WeakPolarHBondContact O-CE2 3.49Å; L201-Y227 HydrophobicContact CD1-CD2 3.66Å; L201-Y227 HydrophobicContact CD1-CE2 3.55Å; L201-Y227 HydrophobicContact CD2-CE2 4.37Å; L201-F230 HydrophobicContact CD1-CE2 3.83Å
202F83.5Confident80.9Confident10 Ų1040.7 Ų40.74%0.04422%0.215CC..Hα-helixtrans-62.7-47.6172.4-175.1-134.2000112.4K198 H200 A204 A205 I206 F239 F242 Y265 L271 I275K198-F202 VanDerWaalsContact O-CB 3.31Å; K198-F202 WeakPolarHBondContact O-CB 3.37Å; K198-F202 PolarHBondContact O-N 3.41Å; H200-F202 VanDerWaalsContact C-N 3.26Å; H200-F202 PolarHBondContact O-N 3.41Å; F202-A204 VanDerWaalsContact C-N 3.27Å; F202-A204 PolarHBondContact O-N 2.96Å; F202-A205 PolarHBondContact O-N 3.23Å; F202-I206 HydrophobicContact CD1-CD1 4.23Å; F202-I206 HydrophobicContact CD2-CD1 4.28Å; F202-I206 HydrophobicContact CD2-CG1 4.43Å; F202-I206 HydrophobicContact CE1-CD1 3.81Å; F202-I206 HydrophobicContact CE2-CD1 3.86Å; F202-I206 HydrophobicContact CE2-CG1 4.22Å; F202-I206 HydrophobicContact CG-CD1 4.47Å; F202-I206 HydrophobicContact CZ-CD1 3.62Å; F202-I206 HydrophobicContact CZ-CG1 4.47Å; F202-I206 WeakPolarHBondContact O-CG1 3.44Å; F202-I206 PolarHBondContact O-N 3.29Å; F202-F239 HydrophobicContact CB-CE2 3.52Å; F202-F239 HydrophobicContact CB-CZ 3.61Å; F202-F239 HydrophobicContact CD1-CE2 4.15Å; F202-F239 HydrophobicContact CD2-CD2 4.21Å; F202-F239 AromaticContact CD2-CE2 3.21Å; F202-F239 HydrophobicContact CD2-CE2 3.21Å; F202-F239 AromaticContact CD2-CZ 3.6Å; F202-F239 HydrophobicContact CD2-CZ 3.6Å; F202-F239 HydrophobicContact CE2-CD2 4.47Å; F202-F239 AromaticContact CE2-CE2 3.85Å; F202-F239 HydrophobicContact CE2-CE2 3.85Å; F202-F239 HydrophobicContact CE2-CZ 4.5Å; F202-F239 HydrophobicContact CG-CD2 4.49Å; F202-F239 AromaticContact CG-CE2 3.38Å; F202-F239 HydrophobicContact CG-CE2 3.38Å; F202-F239 AromaticContact CG-CZ 3.87Å; F202-F239 HydrophobicContact CG-CZ 3.87Å; F202-F242 AromaticContact CE2-CD1 3.77Å; F202-F242 HydrophobicContact CE2-CD1 3.77Å; F202-F242 AromaticContact CE2-CE1 3.63Å; F202-F242 HydrophobicContact CE2-CE1 3.63Å; F202-F242 AromaticContact CZ-CD1 3.86Å; F202-F242 HydrophobicContact CZ-CD1 3.86Å; F202-F242 AromaticContact CZ-CE1 3.51Å; F202-F242 HydrophobicContact CZ-CE1 3.51Å; F202-Y265 HydrophobicContact CE1-CE1 4.3Å; F202-Y265 HydrophobicContact CZ-CE1 4.1Å; F202-L271 HydrophobicContact CE1-CD2 4.17Å; F202-L271 HydrophobicContact CZ-CD2 4.43Å; F202-I275 HydrophobicContact CD1-CD1 3.85Å; F202-I275 HydrophobicContact CE1-CD1 3.84Å; F202-I275 HydrophobicContact CE1-CG2 4.06Å
203K86.8Confident81.6Confident23 Ų2335.7 Ų35.710%0.119%0.188CC..Hα-helixtrans-60.4-40.4176.1-68.8178.5178178.50110.8F180 G199 H200 I206 C207 E272 W274 I275F180-K203 HydrophobicContact CB-CB 4.49Å; F180-K203 HydrophobicContact CD1-CB 3.89Å; F180-K203 HydrophobicContact CD1-CD 4.26Å; F180-K203 HydrophobicContact CD2-CB 3.94Å; F180-K203 HydrophobicContact CE1-CB 4.03Å; F180-K203 HydrophobicContact CE1-CD 3.77Å; F180-K203 HydrophobicContact CE2-CB 4.09Å; F180-K203 HydrophobicContact CG-CB 3.86Å; F180-K203 HydrophobicContact CZ-CB 4.13Å; F180-K203 HydrophobicContact CZ-CD 4.12Å; G199-K203 VanDerWaalsContact O-CG 3.32Å; G199-K203 WeakPolarHBondContact O-CG 3.36Å; G199-K203 PolarHBondContact O-N 2.84Å; G199-K203 VanDerWaalsContact O-N 3.16Å; H200-K203 PolarHBondContact O-N 3.38Å; H200-K203 VanDerWaalsContact O-N 3.16Å; K203-I206 PolarHBondContact O-N 2.92Å; K203-C207 PolarHBondContact O-N 2.79Å; K203-C207 PolarHBondContact O-SG 2.97Å; K203-E272 WeakPolarHBondContact CE-OE2 3.46Å; K203-E272 IonicContact NZ-OE1 2.9Å; K203-E272 IonicContact NZ-OE2 3.99Å; K203-E272 PolarHBondContact NZ-OE2 2.94Å; K203-W274 HydrophobicContact CB-CH2 4.29Å; K203-W274 HydrophobicContact CB-CZ3 3.84Å; K203-W274 HydrophobicContact CD-CE3 4.31Å; K203-W274 HydrophobicContact CD-CZ3 3.97Å; K203-W274 HydrophobicContact CG-CE3 4.31Å; K203-W274 HydrophobicContact CG-CZ3 3.67Å; K203-I275 HydrophobicContact CG-CD1 4.25Å; K203-I275 HydrophobicContact CG-CG1 4.37Å
204A87.9Confident82.5Confident0 Ų037.7 Ų37.70%020%0.199CC..Hα-helixtrans-60.6-46.8173.900000112.6F180 E181 H200 L201 F202 I206 C207 H208 Y223F180-A204 HydrophobicContact CB-CB 3.69Å; E181-A204 HydrophobicContact CG-CB 3.76Å; H200-A204 PolarHBondContact O-N 3.42Å; L201-A204 WeakPolarHBondContact O-CB 3.44Å; L201-A204 PolarHBondContact O-N 3.39Å; F202-A204 VanDerWaalsContact C-N 3.27Å; F202-A204 PolarHBondContact O-N 2.96Å; A204-I206 VanDerWaalsContact C-N 3.35Å; A204-I206 PolarHBondContact O-N 3.41Å; A204-C207 WeakPolarHBondContact O-CB 3.07Å; A204-C207 PolarHBondContact O-N 3.04Å; A204-H208 PolarHBondContact O-CD2 2.93Å; A204-H208 VanDerWaalsContact O-CD2 3.28Å; A204-H208 PolarHBondContact O-N 3.36Å; A204-Y223 HydrophobicContact CB-CE2 4.48Å; A204-Y223 WeakPolarHBondContact CB-OH 3.33Å
205A86.1Confident83.3Confident2 Ų237.6 Ų37.62%0.01720%0.201CC..Hα-helixtrans-58.8-45.217800000111.8L201 F202 H208 F209 L220 Y223L201-A205 PolarHBondContact O-N 3.06Å; F202-A205 PolarHBondContact O-N 3.23Å; A205-H208 PolarHBondContact O-N 2.85Å; A205-F209 WeakPolarHBondContact O-CD2 3.46Å; A205-F209 PolarHBondContact O-N 2.9Å; A205-L220 HydrophobicContact CB-CD2 3.83Å; A205-Y223 HydrophobicContact CB-CE2 4.05Å
206I86.5Confident84Confident1 Ų127.8 Ų27.81%0.00516%0.162CC..Hα-helixtrans-64.2-41.9177.5-64.3179.4000110.8F202 K203 A204 H208 F209 C210 I275 L278 L279 L282F202-I206 HydrophobicContact CD1-CD1 4.23Å; F202-I206 HydrophobicContact CD2-CD1 4.28Å; F202-I206 HydrophobicContact CD2-CG1 4.43Å; F202-I206 HydrophobicContact CE1-CD1 3.81Å; F202-I206 HydrophobicContact CE2-CD1 3.86Å; F202-I206 HydrophobicContact CE2-CG1 4.22Å; F202-I206 HydrophobicContact CG-CD1 4.47Å; F202-I206 HydrophobicContact CZ-CD1 3.62Å; F202-I206 HydrophobicContact CZ-CG1 4.47Å; F202-I206 WeakPolarHBondContact O-CG1 3.44Å; F202-I206 PolarHBondContact O-N 3.29Å; K203-I206 PolarHBondContact O-N 2.92Å; A204-I206 VanDerWaalsContact C-N 3.35Å; A204-I206 PolarHBondContact O-N 3.41Å; I206-H208 VanDerWaalsContact C-N 3.31Å; I206-H208 PolarHBondContact O-N 2.93Å; I206-F209 PolarHBondContact O-N 3Å; I206-C210 PolarHBondContact O-N 3.46Å; I206-C210 PolarHBondContact O-SG 3.35Å; I206-I275 HydrophobicContact CD1-CG2 3.39Å; I206-L278 HydrophobicContact CG2-CB 3.77Å; I206-L278 HydrophobicContact CG2-CD1 3.97Å; I206-L279 HydrophobicContact CD1-CD2 4.27Å; I206-L279 HydrophobicContact CD1-CG 4.43Å; I206-L282 HydrophobicContact CG2-CD1 4.24Å
207C88.3Confident84.5Confident0 Ų028.8 Ų28.80%016%0.157CC..Hα-helixtrans-59.9-40.9174-71.50000112.1A177 K203 A204 C210 V211A177-C207 HydrophobicContact CB-CB 3.68Å; K203-C207 PolarHBondContact O-N 2.79Å; K203-C207 PolarHBondContact O-SG 2.97Å; A204-C207 WeakPolarHBondContact O-CB 3.07Å; A204-C207 PolarHBondContact O-N 3.04Å; C207-C210 WeakPolarHBondContact O-CB 3.28Å; C207-C210 PolarHBondContact O-N 3.28Å; C207-V211 WeakPolarHBondContact O-CG2 3.46Å; C207-V211 PolarHBondContact O-N 2.95Å
208H89.2Confident84.9Confident21 Ų2135.7 Ų35.710%0.09719%0.187CC..Hα-helixtrans-63.4-42.8174.8-77.9-58.2000112.3E181 A204 A205 I206 C210 V211 D212 N215 A219E181-H208 IonicContact OE1-CD2 2.66Å; E181-H208 IonicContact OE1-CE1 3.62Å; E181-H208 IonicContact OE1-NE2 2.64Å; E181-H208 PolarHBondContact OE1-NE2 2.62Å; A204-H208 PolarHBondContact O-CD2 2.93Å; A204-H208 VanDerWaalsContact O-CD2 3.28Å; A204-H208 PolarHBondContact O-N 3.36Å; A205-H208 PolarHBondContact O-N 2.85Å; I206-H208 VanDerWaalsContact C-N 3.31Å; I206-H208 PolarHBondContact O-N 2.93Å; H208-C210 VanDerWaalsContact C-N 3.27Å; H208-C210 PolarHBondContact O-N 3.29Å; H208-V211 WeakPolarHBondContact O-CB 3.47Å; H208-V211 PolarHBondContact O-N 3.28Å; H208-D212 PolarHBondContact O-N 3.48Å; H208-N215 HydrophobicContact CB-CB 4.4Å; H208-A219 HydrophobicContact CB-CB 4.23Å; H208-A219 WeakPolarHBondContact CD2-CB 3.38Å
209F85.4Confident85.2Confident10 Ų1034.3 Ų34.34%0.04418%0.182CC..Hα-helixtrans-61.4-35.6173-77.2-64.2000112.5A205 I206 V211 L213 L220 L246 L250 L282A205-F209 WeakPolarHBondContact O-CD2 3.46Å; A205-F209 PolarHBondContact O-N 2.9Å; I206-F209 PolarHBondContact O-N 3Å; F209-V211 PolarHBondContact O-N 3.37Å; F209-L213 HydrophobicContact CD1-CD1 4.26Å; F209-L213 HydrophobicContact CE1-CD1 4.02Å; F209-L220 HydrophobicContact CE2-CD1 3.8Å; F209-L220 HydrophobicContact CE2-CD2 4.4Å; F209-L220 HydrophobicContact CE2-CG 4.01Å; F209-L220 HydrophobicContact CZ-CD1 3.52Å; F209-L220 HydrophobicContact CZ-CG 4.03Å; F209-L246 HydrophobicContact CD2-CD2 4.27Å; F209-L246 HydrophobicContact CE2-CD2 4.33Å; F209-L250 HydrophobicContact CB-CD1 4.26Å; F209-L250 HydrophobicContact CD1-CD1 3.49Å; F209-L250 VanDerWaalsContact CD1-CD1 3.49Å; F209-L250 HydrophobicContact CE1-CD1 3.92Å; F209-L250 HydrophobicContact CG-CD1 3.91Å; F209-L282 HydrophobicContact CB-CD1 3.99Å; F209-L282 HydrophobicContact CB-CD2 4.29Å; F209-L282 WeakPolarHBondContact O-CD2 3.35Å
210C83.7Confident85.3Confident31 Ų3133.3 Ų33.321%0.20917%0.169CC..Hα-helixtrans-67.1-18.1174.6-67.50000113.6C173 I206 C207 H208 L282C173-C210 HydrophobicContact CB-CB 4.21Å; I206-C210 PolarHBondContact O-N 3.46Å; I206-C210 PolarHBondContact O-SG 3.35Å; C207-C210 WeakPolarHBondContact O-CB 3.28Å; C207-C210 PolarHBondContact O-N 3.28Å; H208-C210 VanDerWaalsContact C-N 3.27Å; H208-C210 PolarHBondContact O-N 3.29Å; C210-L282 HydrophobicContact CB-CD2 4.45Å
211V84.6Confident85.2Confident52 Ų5237.9 Ų37.932%0.31519%0.189SC..Hα-helixtrans-87.1-58.7172.91770000109.6C173 D174 C207 H208 F209C173-V211 HydrophobicContact CB-CG2 3.53Å; D174-V211 HydrophobicContact CB-CG2 4.43Å; D174-V211 VanDerWaalsContact OD1-CG1 3.31Å; D174-V211 WeakPolarHBondContact OD1-CG1 3.31Å; D174-V211 WeakPolarHBondContact OD1-CG2 3.5Å; C207-V211 WeakPolarHBondContact O-CG2 3.46Å; C207-V211 PolarHBondContact O-N 2.95Å; H208-V211 WeakPolarHBondContact O-CB 3.47Å; H208-V211 PolarHBondContact O-N 3.28Å; F209-V211 PolarHBondContact O-N 3.37Å
212D85Confident85.1Confident70 Ų7040.4 Ų40.437%0.37420%0.204SC..  trans-160.2143.8-176.9-178.318.3000110.7H208 I214 N215 G216H208-D212 PolarHBondContact O-N 3.48Å; D212-I214 VanDerWaalsContact C-N 3.29Å; D212-I214 PolarHBondContact O-N 2.96Å; D212-I214 PolarHBondContact OD1-N 3.46Å; D212-N215 HydrophobicContact CB-CB 4.25Å; D212-N215 PolarHBondContact O-N 3.23Å; D212-G216 PolarHBondContact O-N 3.26Å
213L82.8Confident85.1Confident48 Ų4840.6 Ų40.625%0.25121%0.205SC..Hα-helixtrans-55-45175.7174.762000111.4F209 N215 G216 Q217 L250 E251F209-L213 HydrophobicContact CD1-CD1 4.26Å; F209-L213 HydrophobicContact CE1-CD1 4.02Å; L213-N215 VanDerWaalsContact C-N 3.35Å; L213-N215 PolarHBondContact O-N 2.79Å; L213-G216 PolarHBondContact O-N 3.46Å; L213-Q217 HydrophobicContact CD1-CG 4.26Å; L213-Q217 WeakPolarHBondContact O-CG 3.49Å; L213-Q217 PolarHBondContact O-N 3.12Å; L213-L250 HydrophobicContact CD1-CB 3.67Å; L213-E251 HydrophobicContact CD2-CB 3.97Å; L213-E251 HydrophobicContact CD2-CG 4.37Å
214I86.1Confident84.7Confident110 Ų11042.9 Ų42.956%0.56422%0.216SC*.Hα-helixtrans-64.4-41.7-177.6-58175.5000110.5D212 Q217 K218D212-I214 VanDerWaalsContact C-N 3.29Å; D212-I214 PolarHBondContact O-N 2.96Å; D212-I214 PolarHBondContact OD1-N 3.46Å; I214-Q217 PolarHBondContact O-N 3.01Å; I214-K218 VanDerWaalsContact O-CB 3.31Å; I214-K218 WeakPolarHBondContact O-CB 3.49Å; I214-K218 PolarHBondContact O-N 2.92Å
215N84Confident84.3Confident60 Ų6049 Ų4932%0.32124%0.244SC..Hα-helixtrans-63.1-43.5176.3-76.3-18.4000111.2H208 D212 L213 K218 A219H208-N215 HydrophobicContact CB-CB 4.4Å; D212-N215 HydrophobicContact CB-CB 4.25Å; D212-N215 PolarHBondContact O-N 3.23Å; L213-N215 VanDerWaalsContact C-N 3.35Å; L213-N215 PolarHBondContact O-N 2.79Å; N215-K218 PolarHBondContact O-N 3.26Å; N215-A219 VanDerWaalsContact O-CB 3.31Å; N215-A219 WeakPolarHBondContact O-CB 3.35Å; N215-A219 PolarHBondContact O-N 2.9Å
216G82.6Confident83.8Confident0 Ų052.5 Ų52.50%027%0.268CS..Hα-helixtrans-59.1-50.1175.100000112.7D212 L213 K218 A219 L220D212-G216 PolarHBondContact O-N 3.26Å; L213-G216 PolarHBondContact O-N 3.46Å; G216-K218 PolarHBondContact O-N 3.26Å; G216-A219 PolarHBondContact O-N 3.41Å; G216-L220 WeakPolarHBondContact O-CG 3.46Å; G216-L220 PolarHBondContact O-N 2.73Å
217Q83.8Confident83.3Confident60 Ų6054.1 Ų54.128%0.2827%0.274SS..Hα-helixtrans-59.6-44.9177.3-75-178.6-14.400112.5L213 I214 A219 L220 K221 S247 E251L213-Q217 HydrophobicContact CD1-CG 4.26Å; L213-Q217 WeakPolarHBondContact O-CG 3.49Å; L213-Q217 PolarHBondContact O-N 3.12Å; I214-Q217 PolarHBondContact O-N 3.01Å; Q217-A219 VanDerWaalsContact C-N 3.34Å; Q217-A219 PolarHBondContact O-N 3.13Å; Q217-L220 PolarHBondContact O-N 3.04Å; Q217-K221 PolarHBondContact O-N 3.39Å; Q217-S247 VanDerWaalsContact CG-OG 3.29Å; Q217-S247 WeakPolarHBondContact CG-OG 3.35Å; Q217-S247 PolarHBondContact NE2-OG 3.18Å; Q217-E251 PolarHBondContact NE2-OE2 3.02Å
218K87.3Confident82.4Confident145 Ų14558.2 Ų58.263%0.6330%0.301SS*.Hα-helixtrans-63-41.7177.5-175.6-178.6177.1-174.70111.7I214 N215 G216 T222I214-K218 VanDerWaalsContact O-CB 3.31Å; I214-K218 WeakPolarHBondContact O-CB 3.49Å; I214-K218 PolarHBondContact O-N 2.92Å; N215-K218 PolarHBondContact O-N 3.26Å; G216-K218 PolarHBondContact O-N 3.26Å; K218-T222 WeakPolarHBondContact O-CB 3.28Å; K218-T222 PolarHBondContact O-N 3.47Å; K218-T222 PolarHBondContact O-OG1 3.12Å
219A84.5Confident81.5Confident7 Ų761.5 Ų61.56%0.05832%0.317CS..Hα-helixtrans-63.2-47176.700000111.3H208 N215 G216 Q217 K221 T222 Y223H208-A219 HydrophobicContact CB-CB 4.23Å; H208-A219 WeakPolarHBondContact CD2-CB 3.38Å; N215-A219 VanDerWaalsContact O-CB 3.31Å; N215-A219 WeakPolarHBondContact O-CB 3.35Å; N215-A219 PolarHBondContact O-N 2.9Å; G216-A219 PolarHBondContact O-N 3.41Å; Q217-A219 VanDerWaalsContact C-N 3.34Å; Q217-A219 PolarHBondContact O-N 3.13Å; A219-K221 PolarHBondContact O-N 3.26Å; A219-T222 WeakPolarHBondContact O-CB 3.5Å; A219-T222 PolarHBondContact O-N 3.37Å; A219-Y223 HydrophobicContact CB-CE2 4.09Å; A219-Y223 WeakPolarHBondContact O-CD1 3.41Å; A219-Y223 WeakPolarHBondContact O-CD2 3.35Å; A219-Y223 PolarHBondContact O-N 3.47Å
220L82.1Confident80.6Confident12 Ų1262.1 Ų62.16%0.06332%0.32CS..Hα-helixtrans-55.8-50.8175.9-71.6-174.1000112A205 F209 G216 Q217 T222 Y223 E224 Q243A205-L220 HydrophobicContact CB-CD2 3.83Å; F209-L220 HydrophobicContact CE2-CD1 3.8Å; F209-L220 HydrophobicContact CE2-CD2 4.4Å; F209-L220 HydrophobicContact CE2-CG 4.01Å; F209-L220 HydrophobicContact CZ-CD1 3.52Å; F209-L220 HydrophobicContact CZ-CG 4.03Å; G216-L220 WeakPolarHBondContact O-CG 3.46Å; G216-L220 PolarHBondContact O-N 2.73Å; Q217-L220 PolarHBondContact O-N 3.04Å; L220-T222 VanDerWaalsContact C-N 3.3Å; L220-T222 PolarHBondContact O-N 2.8Å; L220-Y223 PolarHBondContact O-N 3.18Å; L220-Y223 VanDerWaalsContact O-N 3.12Å; L220-E224 WeakPolarHBondContact O-CG 3.41Å; L220-E224 PolarHBondContact O-N 3.47Å; L220-Q243 HydrophobicContact CD1-CB 3.9Å; L220-Q243 HydrophobicContact CD2-CB 3.8Å; L220-Q243 HydrophobicContact CD2-CG 3.75Å
221K83.5Confident79.5Confident129 Ų12962.9 Ų62.956%0.56133%0.329SS*.Hα-helixtrans-58.8-43.5178.4-171179.8179.9-175.60111.8Q217 A219 Y223 E224 E225Q217-K221 PolarHBondContact O-N 3.39Å; A219-K221 PolarHBondContact O-N 3.26Å; K221-Y223 VanDerWaalsContact C-N 3.32Å; K221-Y223 PolarHBondContact O-N 2.89Å; K221-E224 PolarHBondContact O-N 2.95Å; K221-E225 WeakPolarHBondContact CE-OE1 3.43Å; K221-E225 WeakPolarHBondContact O-CB 3.17Å; K221-E225 WeakPolarHBondContact O-CG 3.42Å; K221-E225 PolarHBondContact O-N 3.29Å
222T84.3Confident78.4Confident58 Ų5867 Ų6736%0.35635%0.349SS..Hα-helixtrans-61.9-41.4177.3-54.90000111.2K218 A219 L220 E225 C226K218-T222 WeakPolarHBondContact O-CB 3.28Å; K218-T222 PolarHBondContact O-N 3.47Å; K218-T222 PolarHBondContact O-OG1 3.12Å; A219-T222 WeakPolarHBondContact O-CB 3.5Å; A219-T222 PolarHBondContact O-N 3.37Å; L220-T222 VanDerWaalsContact C-N 3.3Å; L220-T222 PolarHBondContact O-N 2.8Å; T222-E225 PolarHBondContact O-N 3.11Å; T222-C226 VanDerWaalsContact O-CB 3.32Å; T222-C226 WeakPolarHBondContact O-CB 3.5Å; T222-C226 PolarHBondContact O-N 3.37Å; T222-C226 PolarHBondContact O-SG 3Å; T222-C226 VanDerWaalsContact O-SG 3.32Å
223Y82.3Confident77.3Confident14 Ų1465.6 Ų65.66%0.05534%0.344CS..Hα-helixtrans-70.3-37.1179.3-57.4-20.6000112.3E181 L201 A204 A205 A219 L220 K221 Y227E181-Y223 HydrophobicContact CG-CE1 4.13Å; E181-Y223 WeakPolarHBondContact CG-OH 3.47Å; E181-Y223 PolarHBondContact OE1-OH 2.92Å; L201-Y223 HydrophobicContact CB-CD2 4.29Å; L201-Y223 HydrophobicContact CB-CE2 4.39Å; L201-Y223 HydrophobicContact CD2-CD1 4.16Å; L201-Y223 HydrophobicContact CD2-CE1 4.04Å; L201-Y223 WeakPolarHBondContact O-CE2 3.49Å; A204-Y223 HydrophobicContact CB-CE2 4.48Å; A204-Y223 WeakPolarHBondContact CB-OH 3.33Å; A205-Y223 HydrophobicContact CB-CE2 4.05Å; A219-Y223 HydrophobicContact CB-CE2 4.09Å; A219-Y223 WeakPolarHBondContact O-CD1 3.41Å; A219-Y223 WeakPolarHBondContact O-CD2 3.35Å; A219-Y223 PolarHBondContact O-N 3.47Å; L220-Y223 PolarHBondContact O-N 3.18Å; L220-Y223 VanDerWaalsContact O-N 3.12Å; K221-Y223 VanDerWaalsContact C-N 3.32Å; K221-Y223 PolarHBondContact O-N 2.89Å; Y223-Y227 WeakPolarHBondContact O-CA 3.2Å; Y223-Y227 WeakPolarHBondContact O-CB 3.48Å; Y223-Y227 WeakPolarHBondContact O-CD2 3.28Å; Y223-Y227 PolarHBondContact O-N 3.36Å
224E78.1Confident76.2Confident70 Ų7073.7 Ų73.733%0.32737%0.372SS..Hα-helixtrans-64-42.7173.5-72.3-177.2163.700111.6L220 K221 Y227L220-E224 WeakPolarHBondContact O-CG 3.41Å; L220-E224 PolarHBondContact O-N 3.47Å; K221-E224 PolarHBondContact O-N 2.95Å; E224-Y227 CarbonylContact O-C 3.56Å
225E79.7Confident75.2Confident128 Ų12875 Ų7560%0.59838%0.38SS*.Hα-helixtrans-67.5-45.9177.6-73.9176.1-176.500112.4K221 T222K221-E225 WeakPolarHBondContact CE-OE1 3.43Å; K221-E225 WeakPolarHBondContact O-CB 3.17Å; K221-E225 WeakPolarHBondContact O-CG 3.42Å; K221-E225 PolarHBondContact O-N 3.29Å; T222-E225 PolarHBondContact O-N 3.11Å
226C76.2Confident74.2Confident77 Ų7773.2 Ų73.252%0.5237%0.37SS..Hα-helixtrans-72.2-30.2-179.8-70.50000112.6T222T222-C226 VanDerWaalsContact O-CB 3.32Å; T222-C226 WeakPolarHBondContact O-CB 3.5Å; T222-C226 PolarHBondContact O-N 3.37Å; T222-C226 PolarHBondContact O-SG 3Å; T222-C226 VanDerWaalsContact O-SG 3.32Å
227Y75.9Confident73.6Confident35 Ų3578.1 Ų78.114%0.13739%0.392CS..  trans-131.767.8-172.8-48.8-64.9000113K185 M188 L201 Y223 E224 M229 F230K185-Y227 WeakPolarHBondContact CG-OH 3.46Å; M188-Y227 HydrophobicContact CB-CE1 4.06Å; M188-Y227 HydrophobicContact CE-CD1 3.58Å; M188-Y227 HydrophobicContact CE-CE1 3.95Å; M188-Y227 HydrophobicContact CE-CG 4.37Å; M188-Y227 HydrophobicContact CG-CD1 4.14Å; M188-Y227 HydrophobicContact CG-CE1 3.64Å; M188-Y227 HydrophobicContact SD-CD1 4.46Å; L201-Y227 HydrophobicContact CD1-CD2 3.66Å; L201-Y227 HydrophobicContact CD1-CE2 3.55Å; L201-Y227 HydrophobicContact CD2-CE2 4.37Å; Y223-Y227 WeakPolarHBondContact O-CA 3.2Å; Y223-Y227 WeakPolarHBondContact O-CB 3.48Å; Y223-Y227 WeakPolarHBondContact O-CD2 3.28Å; Y223-Y227 PolarHBondContact O-N 3.36Å; E224-Y227 CarbonylContact O-C 3.56Å; Y227-M229 PolarHBondContact O-N 3.43Å; Y227-F230 HydrophobicContact CD2-CD2 4.39Å; Y227-F230 HydrophobicContact CD2-CE2 4.12Å; Y227-F230 HydrophobicContact CG-CD2 4.09Å; Y227-F230 AromaticContact CG-CE2 3.81Å; Y227-F230 HydrophobicContact CG-CE2 3.81Å; Y227-F230 PolarHBondContact O-N 3.33Å
228P70Confident72.7Confident85 Ų8577 Ų7755%0.55239%0.389SS*.THydrogen-bonded Turntrans-57-23.9-179.2-25.834.6000114.3F230 A231P228-F230 PolarHBondContact O-N 3.46Å; P228-F230 VanDerWaalsContact O-N 3.15Å; P228-A231 PolarHBondContact O-N 3.24Å
229M69.7Low71.9Confident90 Ų9070.6 Ų70.644%0.44336%0.362SS..Hα-helixtrans-60.5-20.317564.5-176.3-80.100114M188 Y227 N236M188-M229 HydrophobicContact CE-CE 4.49Å; M188-M229 HydrophobicContact CE-SD 3.65Å; Y227-M229 PolarHBondContact O-N 3.43Å; M229-N236 PolarHBondContact O-ND2 2.89Å; M229-N236 VanDerWaalsContact O-ND2 3.14Å
230F65.5Low71.2Confident23 Ų2371 Ų7110%0.10136%0.364CS..Hα-helixtrans-82.5-17.2174.1-60.9-42.2000113.6M188 K198 L201 Y227 P228 N236M188-F230 HydrophobicContact CE-CE2 4.41Å; M188-F230 HydrophobicContact CE-CZ 4.13Å; M188-F230 HydrophobicContact SD-CE2 4.15Å; M188-F230 HydrophobicContact SD-CZ 3.64Å; K198-F230 HydrophobicContact CB-CD1 4.42Å; K198-F230 HydrophobicContact CB-CE1 3.9Å; K198-F230 HydrophobicContact CB-CZ 4.14Å; K198-F230 HydrophobicContact CG-CD1 4.48Å; K198-F230 HydrophobicContact CG-CE1 4.45Å; L201-F230 HydrophobicContact CD1-CE2 3.83Å; Y227-F230 HydrophobicContact CD2-CD2 4.39Å; Y227-F230 HydrophobicContact CD2-CE2 4.12Å; Y227-F230 HydrophobicContact CG-CD2 4.09Å; Y227-F230 AromaticContact CG-CE2 3.81Å; Y227-F230 HydrophobicContact CG-CE2 3.81Å; Y227-F230 PolarHBondContact O-N 3.33Å; P228-F230 PolarHBondContact O-N 3.46Å; P228-F230 VanDerWaalsContact O-N 3.15Å; F230-N236 WeakPolarHBondContact O-CB 3.46Å
231A62.3Low71Confident48 Ų4875.9 Ų75.940%0.39739%0.385SS..Hα-helixtrans-82.6-43.117700000112.2P228P228-A231 PolarHBondContact O-N 3.24Å
232D60.2Low70.9Confident138 Ų13870 Ų7074%0.73836%0.359SS*.Hα-helixtrans-98.3-14.7-158.9-141.64.8000114.9
233S62.1Low70.6Confident40 Ų4067.8 Ų67.828%0.2835%0.345SS..SBendtrans-73.3137.7-179.894.20000110.6D235 N236 K237S233-D235 PolarHBondContact O-N 3.43Å; S233-D235 VanDerWaalsContact O-N 3.11Å; S233-N236 PolarHBondContact O-N 2.71Å; S233-N236 VanDerWaalsContact OG-CB 3.24Å; S233-N236 WeakPolarHBondContact OG-CB 3.46Å; S233-N236 PolarHBondContact OG-N 3.37Å; S233-N236 VanDerWaalsContact OG-N 3.11Å; S233-N236 PolarHBondContact OG-ND2 3.13Å; S233-K237 PolarHBondContact O-N 3.04Å; S233-K237 VanDerWaalsContact O-N 3.17Å
234R60.4Low70.5Confident218 Ų21871 Ų7182%0.82336%0.36SS*.THydrogen-bonded Turntrans-52.9-34.5177.1-73.6-176.1178.5-177.4-1112.2N236R234-N236 VanDerWaalsContact C-N 3.33Å
235D64Low70.8Confident138 Ų13871.3 Ų71.374%0.73836%0.361SS*.THydrogen-bonded Turntrans-77-19.7-179.5-55.3-29000112.8S233S233-D235 PolarHBondContact O-N 3.43Å; S233-D235 VanDerWaalsContact O-N 3.11Å
236N63.9Low71Confident22 Ų2265.3 Ų65.312%0.11833%0.333CS..THydrogen-bonded Turntrans-98.5-12179.7-63.8-33.5000113.9K198 M229 F230 S233 R234 F239 S240K198-N236 WeakPolarHBondContact CE-OD1 3.46Å; K198-N236 PolarHBondContact NZ-OD1 3.01Å; M229-N236 PolarHBondContact O-ND2 2.89Å; M229-N236 VanDerWaalsContact O-ND2 3.14Å; F230-N236 WeakPolarHBondContact O-CB 3.46Å; S233-N236 PolarHBondContact O-N 2.71Å; S233-N236 VanDerWaalsContact OG-CB 3.24Å; S233-N236 WeakPolarHBondContact OG-CB 3.46Å; S233-N236 PolarHBondContact OG-N 3.37Å; S233-N236 VanDerWaalsContact OG-N 3.11Å; S233-N236 PolarHBondContact OG-ND2 3.13Å; R234-N236 VanDerWaalsContact C-N 3.33Å; N236-F239 WeakPolarHBondContact O-CA 3.41Å; N236-F239 VanDerWaalsContact O-CB 3.29Å; N236-F239 WeakPolarHBondContact O-CB 3.05Å; N236-F239 PolarHBondContact O-N 3.31Å; N236-S240 PolarHBondContact O-N 2.63Å; N236-S240 VanDerWaalsContact O-N 3.1Å
237K68.9Low71.4Confident103 Ų10362.4 Ų62.445%0.44831%0.313SS..Hα-helixtrans-50.8-49.1176.3-71.5-173.2179.1-169.20113.3S233 F239 S240 F241S233-K237 PolarHBondContact O-N 3.04Å; S233-K237 VanDerWaalsContact O-N 3.17Å; K237-F239 PolarHBondContact O-N 2.93Å; K237-F239 VanDerWaalsContact O-N 3.14Å; K237-S240 PolarHBondContact O-N 3.11Å; K237-F241 HydrophobicContact CB-CD2 4.23Å; K237-F241 HydrophobicContact CB-CE2 4.35Å; K237-F241 WeakPolarHBondContact O-CB 3.4Å; K237-F241 WeakPolarHBondContact O-CD2 3.49Å; K237-F241 PolarHBondContact O-N 2.99Å
238P65.6Low71.9Confident36 Ų3665.7 Ų65.723%0.23433%0.33CS..Hα-helixtrans-58.7-31179.5-23.534.3000113.2F242 Y265 I268P238-F242 WeakPolarHBondContact O-CB 3.45Å; P238-F242 PolarHBondContact O-N 3.24Å; P238-Y265 WeakPolarHBondContact O-CD2 3.44Å; P238-I268 HydrophobicContact CB-CD1 4.13Å; P238-I268 HydrophobicContact CB-CG2 4.05Å; P238-I268 HydrophobicContact CG-CD1 4.48Å; P238-I268 HydrophobicContact CG-CG2 4.02Å
239F70.7Confident72.6Confident11 Ų1161.8 Ų61.85%0.04831%0.305CS..Hα-helixtrans-74.6-50-179.5179.5-97.4000112.6K198 F202 N236 K237 F241 F242 Q243 Y265K198-F239 HydrophobicContact CD-CG 4.5Å; K198-F239 VanDerWaalsContact CE-CB 3.42Å; K198-F239 VanDerWaalsContact CE-CD2 3.41Å; K198-F239 HydrophobicContact CG-CE1 4.21Å; K198-F239 HydrophobicContact CG-CE2 4.28Å; K198-F239 HydrophobicContact CG-CZ 4.09Å; F202-F239 HydrophobicContact CB-CE2 3.52Å; F202-F239 HydrophobicContact CB-CZ 3.61Å; F202-F239 HydrophobicContact CD1-CE2 4.15Å; F202-F239 HydrophobicContact CD2-CD2 4.21Å; F202-F239 AromaticContact CD2-CE2 3.21Å; F202-F239 HydrophobicContact CD2-CE2 3.21Å; F202-F239 AromaticContact CD2-CZ 3.6Å; F202-F239 HydrophobicContact CD2-CZ 3.6Å; F202-F239 HydrophobicContact CE2-CD2 4.47Å; F202-F239 AromaticContact CE2-CE2 3.85Å; F202-F239 HydrophobicContact CE2-CE2 3.85Å; F202-F239 HydrophobicContact CE2-CZ 4.5Å; F202-F239 HydrophobicContact CG-CD2 4.49Å; F202-F239 AromaticContact CG-CE2 3.38Å; F202-F239 HydrophobicContact CG-CE2 3.38Å; F202-F239 AromaticContact CG-CZ 3.87Å; F202-F239 HydrophobicContact CG-CZ 3.87Å; N236-F239 WeakPolarHBondContact O-CA 3.41Å; N236-F239 VanDerWaalsContact O-CB 3.29Å; N236-F239 WeakPolarHBondContact O-CB 3.05Å; N236-F239 PolarHBondContact O-N 3.31Å; K237-F239 PolarHBondContact O-N 2.93Å; K237-F239 VanDerWaalsContact O-N 3.14Å; F239-F241 VanDerWaalsContact C-N 3.34Å; F239-F241 PolarHBondContact O-N 2.95Å; F239-F242 PolarHBondContact O-N 3Å; F239-Q243 HydrophobicContact CE1-CG 4.31Å; F239-Q243 VanDerWaalsContact CE1-NE2 3.31Å; F239-Q243 HydrophobicContact CZ-CG 4.43Å; F239-Q243 VanDerWaalsContact CZ-NE2 3.26Å; F239-Q243 WeakPolarHBondContact O-CG 3.17Å; F239-Q243 PolarHBondContact O-N 3.08Å; F239-Y265 HydrophobicContact CB-CE2 4.3Å; F239-Y265 HydrophobicContact CD2-CE2 4.36Å; F239-Y265 WeakPolarHBondContact CD2-OH 3.28Å
240S70.8Confident73.2Confident15 Ų1558.5 Ų58.511%0.10529%0.289CS..Hα-helixtrans-62.1-43176172.40000110.8N236 K237 F242 Q243 Q244N236-S240 PolarHBondContact O-N 2.63Å; N236-S240 VanDerWaalsContact O-N 3.1Å; K237-S240 PolarHBondContact O-N 3.11Å; S240-F242 PolarHBondContact O-N 2.76Å; S240-Q243 PolarHBondContact O-N 3.17Å; S240-Q244 WeakPolarHBondContact O-CG 3.46Å; S240-Q244 PolarHBondContact O-N 3.41Å
241F76.6Confident74.1Confident116 Ų11663.2 Ų63.251%0.50931%0.311SS..Hα-helixtrans-61.1-42173.7-84-65.7000112.6K237 F239 Q244 K245K237-F241 HydrophobicContact CB-CD2 4.23Å; K237-F241 HydrophobicContact CB-CE2 4.35Å; K237-F241 WeakPolarHBondContact O-CB 3.4Å; K237-F241 WeakPolarHBondContact O-CD2 3.49Å; K237-F241 PolarHBondContact O-N 2.99Å; F239-F241 VanDerWaalsContact C-N 3.34Å; F239-F241 PolarHBondContact O-N 2.95Å; F241-Q244 PolarHBondContact O-N 3.18Å; F241-K245 WeakPolarHBondContact O-CB 3.32Å; F241-K245 WeakPolarHBondContact O-CG 3.42Å; F241-K245 PolarHBondContact O-N 3.09Å
242F81Confident75.3Confident5 Ų567.2 Ų67.22%0.02232%0.322CS..Hα-helixtrans-62.4-45176.4174.5-109.1000111.6F202 P238 F239 S240 Q244 K245 L246 A261 V262 Y265 L279F202-F242 AromaticContact CE2-CD1 3.77Å; F202-F242 HydrophobicContact CE2-CD1 3.77Å; F202-F242 AromaticContact CE2-CE1 3.63Å; F202-F242 HydrophobicContact CE2-CE1 3.63Å; F202-F242 AromaticContact CZ-CD1 3.86Å; F202-F242 HydrophobicContact CZ-CD1 3.86Å; F202-F242 AromaticContact CZ-CE1 3.51Å; F202-F242 HydrophobicContact CZ-CE1 3.51Å; P238-F242 WeakPolarHBondContact O-CB 3.45Å; P238-F242 PolarHBondContact O-N 3.24Å; F239-F242 PolarHBondContact O-N 3Å; S240-F242 PolarHBondContact O-N 2.76Å; F242-Q244 VanDerWaalsContact C-N 3.34Å; F242-Q244 PolarHBondContact O-N 3.47Å; F242-K245 PolarHBondContact O-N 3.45Å; F242-L246 HydrophobicContact CE1-CD2 4.11Å; F242-L246 HydrophobicContact CE2-CD1 4.36Å; F242-L246 HydrophobicContact CZ-CB 4.47Å; F242-L246 HydrophobicContact CZ-CD1 4.05Å; F242-L246 HydrophobicContact CZ-CD2 4.13Å; F242-L246 HydrophobicContact CZ-CG 4.47Å; F242-L246 WeakPolarHBondContact O-CB 3.38Å; F242-L246 PolarHBondContact O-N 3.02Å; F242-A261 HydrophobicContact CD2-CB 4.31Å; F242-A261 VanDerWaalsContact CD2-O 3.3Å; F242-A261 WeakPolarHBondContact CD2-O 3.08Å; F242-A261 HydrophobicContact CE2-CB 4.31Å; F242-A261 WeakPolarHBondContact CE2-O 3.49Å; F242-V262 HydrophobicContact CE2-CB 4.39Å; F242-V262 HydrophobicContact CE2-CG2 3.9Å; F242-V262 HydrophobicContact CZ-CG2 4.09Å; F242-Y265 HydrophobicContact CB-CD2 3.46Å; F242-Y265 VanDerWaalsContact CB-CD2 3.46Å; F242-Y265 HydrophobicContact CB-CE2 4.13Å; F242-Y265 HydrophobicContact CB-CG 3.77Å; F242-Y265 HydrophobicContact CD1-CD1 4.03Å; F242-Y265 HydrophobicContact CD1-CD2 4.24Å; F242-Y265 HydrophobicContact CD1-CE1 4.38Å; F242-Y265 AromaticContact CD1-CG 3.95Å; F242-Y265 HydrophobicContact CD1-CG 3.95Å; F242-Y265 HydrophobicContact CD2-CD1 4.4Å; F242-Y265 HydrophobicContact CD2-CD2 4.41Å; F242-Y265 AromaticContact CD2-CG 3.82Å; F242-Y265 HydrophobicContact CD2-CG 3.82Å; F242-Y265 HydrophobicContact CE1-CD1 4.33Å; F242-Y265 HydrophobicContact CE2-CG 4.45Å; F242-Y265 HydrophobicContact CG-CD1 4.07Å; F242-Y265 AromaticContact CG-CD2 3.77Å; F242-Y265 HydrophobicContact CG-CD2 3.77Å; F242-Y265 HydrophobicContact CG-CE2 4.48Å; F242-Y265 AromaticContact CG-CG 3.53Å; F242-Y265 HydrophobicContact CG-CG 3.53Å; F242-L279 HydrophobicContact CZ-CD1 4.26Å; F242-L279 HydrophobicContact CZ-CD2 4.39Å
243Q78.8Confident76.3Confident12 Ų1267.4 Ų67.46%0.05632%0.318CS..Hα-helixtrans-61.8-41.1178.4-72.6-178.9-44.100112.4L220 F239 S240 S247L220-Q243 HydrophobicContact CD1-CB 3.9Å; L220-Q243 HydrophobicContact CD2-CB 3.8Å; L220-Q243 HydrophobicContact CD2-CG 3.75Å; F239-Q243 HydrophobicContact CE1-CG 4.31Å; F239-Q243 VanDerWaalsContact CE1-NE2 3.31Å; F239-Q243 HydrophobicContact CZ-CG 4.43Å; F239-Q243 VanDerWaalsContact CZ-NE2 3.26Å; F239-Q243 WeakPolarHBondContact O-CG 3.17Å; F239-Q243 PolarHBondContact O-N 3.08Å; S240-Q243 PolarHBondContact O-N 3.17Å; Q243-S247 WeakPolarHBondContact O-CB 3.42Å; Q243-S247 PolarHBondContact O-N 3.36Å
244Q80.3Confident77.5Confident80 Ų8068.2 Ų68.237%0.37432%0.319SS..Hα-helixtrans-65.8-51.6175.5-71.2172.41.100111.6S240 F241 F242 L246 S247 E248S240-Q244 WeakPolarHBondContact O-CG 3.46Å; S240-Q244 PolarHBondContact O-N 3.41Å; F241-Q244 PolarHBondContact O-N 3.18Å; F242-Q244 VanDerWaalsContact C-N 3.34Å; F242-Q244 PolarHBondContact O-N 3.47Å; Q244-L246 VanDerWaalsContact C-N 3.27Å; Q244-L246 PolarHBondContact O-N 3.4Å; Q244-S247 WeakPolarHBondContact O-CB 3.31Å; Q244-S247 PolarHBondContact O-N 3.09Å; Q244-S247 VanDerWaalsContact O-N 3.17Å; Q244-E248 WeakPolarHBondContact O-CG 3.49Å; Q244-E248 PolarHBondContact O-N 3.48Å
245K84.8Confident78.7Confident77 Ų7759.9 Ų59.934%0.33529%0.292SS..Hα-helixtrans-59.8-37.5177.3-73.4-173.7178.4-167.30112.4F241 F242 A249 A261 E264F241-K245 WeakPolarHBondContact O-CB 3.32Å; F241-K245 WeakPolarHBondContact O-CG 3.42Å; F241-K245 PolarHBondContact O-N 3.09Å; F242-K245 PolarHBondContact O-N 3.45Å; K245-A249 WeakPolarHBondContact O-CB 3.47Å; K245-A249 PolarHBondContact O-N 3.49Å; K245-A261 HydrophobicContact CB-CB 3.76Å; K245-A261 HydrophobicContact CD-CB 4.37Å; K245-E264 IonicContact NZ-OE1 3.67Å; K245-E264 IonicContact NZ-OE2 2.7Å; K245-E264 PolarHBondContact NZ-OE2 3.37Å
246L83.6Confident79.8Confident2 Ų260.7 Ų60.71%0.0129%0.292CS..Hα-helixtrans-65.1-46.5176.8-172.773.1000110.9F209 F242 Q244 A249 L250 F258 V262 L279F209-L246 HydrophobicContact CD2-CD2 4.27Å; F209-L246 HydrophobicContact CE2-CD2 4.33Å; F242-L246 HydrophobicContact CE1-CD2 4.11Å; F242-L246 HydrophobicContact CE2-CD1 4.36Å; F242-L246 HydrophobicContact CZ-CB 4.47Å; F242-L246 HydrophobicContact CZ-CD1 4.05Å; F242-L246 HydrophobicContact CZ-CD2 4.13Å; F242-L246 HydrophobicContact CZ-CG 4.47Å; F242-L246 WeakPolarHBondContact O-CB 3.38Å; F242-L246 PolarHBondContact O-N 3.02Å; Q244-L246 VanDerWaalsContact C-N 3.27Å; Q244-L246 PolarHBondContact O-N 3.4Å; L246-A249 PolarHBondContact O-N 3.42Å; L246-L250 HydrophobicContact CG-CD1 4.05Å; L246-L250 WeakPolarHBondContact O-CB 3.39Å; L246-L250 WeakPolarHBondContact O-CD1 3.44Å; L246-L250 VanDerWaalsContact O-CG 3.27Å; L246-L250 WeakPolarHBondContact O-CG 3.48Å; L246-L250 PolarHBondContact O-N 3.15Å; L246-F258 HydrophobicContact CD1-CD2 3.62Å; L246-F258 HydrophobicContact CD1-CE2 3.21Å; L246-F258 HydrophobicContact CD1-CZ 3.82Å; L246-F258 HydrophobicContact CG-CE2 4.34Å; L246-V262 HydrophobicContact CD1-CG2 4.5Å; L246-L279 HydrophobicContact CD1-CD2 4.1Å; L246-L279 HydrophobicContact CD2-CD2 4.19Å
247S84Confident80.9Confident16 Ų1661.3 Ų61.311%0.11230%0.3CS..Hα-helixtrans-60.6-48.1175.9175.40000111.9Q217 Q243 Q244 L250 E251Q217-S247 VanDerWaalsContact CG-OG 3.29Å; Q217-S247 WeakPolarHBondContact CG-OG 3.35Å; Q217-S247 PolarHBondContact NE2-OG 3.18Å; Q243-S247 WeakPolarHBondContact O-CB 3.42Å; Q243-S247 PolarHBondContact O-N 3.36Å; Q244-S247 WeakPolarHBondContact O-CB 3.31Å; Q244-S247 PolarHBondContact O-N 3.09Å; Q244-S247 VanDerWaalsContact O-N 3.17Å; S247-L250 PolarHBondContact O-N 3.08Å; S247-E251 WeakPolarHBondContact O-CB 3.27Å; S247-E251 PolarHBondContact O-N 3.48Å
248E86.3Confident81.7Confident105 Ų10556.6 Ų56.649%0.49128%0.279SS..Hα-helixtrans-63-41.9178.6-71.9174.7-175.500111.8Q244 E251 Q252Q244-E248 WeakPolarHBondContact O-CG 3.49Å; Q244-E248 PolarHBondContact O-N 3.48Å; E248-E251 PolarHBondContact O-N 3.07Å; E248-Q252 WeakPolarHBondContact O-CB 3.37Å; E248-Q252 WeakPolarHBondContact O-CG 3.48Å; E248-Q252 PolarHBondContact O-N 3.31Å
249A85.6Confident82.7Confident2 Ų256.5 Ų56.52%0.01728%0.278CS..Hα-helixtrans-67.5-36.6178.200000112.7K245 L246 E253 N254 A257 F258K245-A249 WeakPolarHBondContact O-CB 3.47Å; K245-A249 PolarHBondContact O-N 3.49Å; L246-A249 PolarHBondContact O-N 3.42Å; A249-E253 PolarHBondContact O-N 3.43Å; A249-N254 PolarHBondContact O-N 3.05Å; A249-A257 HydrophobicContact CB-CB 3.91Å; A249-F258 HydrophobicContact CB-CB 3.9Å
250L82Confident83.5Confident21 Ų2159 Ų5911%0.1130%0.295CS..Hα-helixtrans-68.7-39.9173.7-74.6162.6000111.5F209 L213 L246 S247 E253 F258 I286F209-L250 HydrophobicContact CB-CD1 4.26Å; F209-L250 HydrophobicContact CD1-CD1 3.49Å; F209-L250 VanDerWaalsContact CD1-CD1 3.49Å; F209-L250 HydrophobicContact CE1-CD1 3.92Å; F209-L250 HydrophobicContact CG-CD1 3.91Å; L213-L250 HydrophobicContact CD1-CB 3.67Å; L246-L250 HydrophobicContact CG-CD1 4.05Å; L246-L250 WeakPolarHBondContact O-CB 3.39Å; L246-L250 WeakPolarHBondContact O-CD1 3.44Å; L246-L250 VanDerWaalsContact O-CG 3.27Å; L246-L250 WeakPolarHBondContact O-CG 3.48Å; L246-L250 PolarHBondContact O-N 3.15Å; S247-L250 PolarHBondContact O-N 3.08Å; L250-E253 PolarHBondContact O-N 3.39Å; L250-F258 HydrophobicContact CD2-CD2 4.33Å; L250-F258 HydrophobicContact CD2-CE2 4.11Å; L250-F258 HydrophobicContact CG-CD2 4.25Å; L250-F258 HydrophobicContact CG-CE2 4.22Å; L250-I286 HydrophobicContact CD2-CD1 3.38Å; L250-I286 HydrophobicContact CD2-CG1 3.8Å; L250-I286 HydrophobicContact CG-CD1 4.22Å
251E85.1Confident84.2Confident123 Ų12358.5 Ų58.558%0.57529%0.292SS*.Hα-helixtrans-67.9-36.6178.1-175.9175-171.500113L213 Q217 S247 E248 E253L213-E251 HydrophobicContact CD2-CB 3.97Å; L213-E251 HydrophobicContact CD2-CG 4.37Å; Q217-E251 PolarHBondContact NE2-OE2 3.02Å; S247-E251 WeakPolarHBondContact O-CB 3.27Å; S247-E251 PolarHBondContact O-N 3.48Å; E248-E251 PolarHBondContact O-N 3.07Å; E251-E253 VanDerWaalsContact C-N 3.28Å
252Q87Confident84.7Confident132 Ų13254.2 Ų54.262%0.61728%0.275SS*.THydrogen-bonded Turntrans-86.71.9177.3-65.9176.311.700113.4E248 N254E248-Q252 WeakPolarHBondContact O-CB 3.37Å; E248-Q252 WeakPolarHBondContact O-CG 3.48Å; E248-Q252 PolarHBondContact O-N 3.31Å; Q252-N254 HydrophobicContact CB-CB 4.12Å; Q252-N254 PolarHBondContact O-N 2.92Å
253E81.6Confident84.9Confident141 Ų14159.4 Ų59.466%0.65930%0.299SS*.THydrogen-bonded Turntrans47.934.4-172.5-65.1178169.700113.1A249 L250 E251 V255 I286A249-E253 PolarHBondContact O-N 3.43Å; L250-E253 PolarHBondContact O-N 3.39Å; E251-E253 VanDerWaalsContact C-N 3.28Å; E253-V255 PolarHBondContact O-N 3.06Å; E253-I286 HydrophobicContact CB-CG2 3.79Å; E253-I286 HydrophobicContact CG-CG2 4.36Å; E253-I286 VanDerWaalsContact O-CG2 3.25Å; E253-I286 WeakPolarHBondContact O-CG2 3.39Å
254N86.4Confident85.2Confident58 Ų5863 Ų6331%0.3132%0.316SS..  trans-95.796.7-171.7-172.5-26.1000110.8A249 Q252 E256 A257 F258A249-N254 PolarHBondContact O-N 3.05Å; Q252-N254 HydrophobicContact CB-CB 4.12Å; Q252-N254 PolarHBondContact O-N 2.92Å; N254-E256 VanDerWaalsContact C-N 3.27Å; N254-E256 PolarHBondContact O-N 2.89Å; N254-E256 PolarHBondContact OD1-N 3.07Å; N254-E256 VanDerWaalsContact OD1-N 3.12Å; N254-A257 HydrophobicContact CB-CB 3.89Å; N254-A257 PolarHBondContact O-N 3.27Å; N254-A257 PolarHBondContact OD1-N 3.22Å; N254-F258 WeakPolarHBondContact O-CB 3.3Å; N254-F258 PolarHBondContact O-N 3.38Å
255V85.6Confident85.3Confident42 Ų4259.9 Ų59.926%0.25530%0.301SS..Hα-helixtrans-59.3-35-179.2-175.90000112.8E253 T259 K283 I286E253-V255 PolarHBondContact O-N 3.06Å; V255-T259 WeakPolarHBondContact O-CB 3.46Å; V255-T259 PolarHBondContact O-N 3.26Å; V255-T259 PolarHBondContact O-OG1 2.94Å; V255-K283 HydrophobicContact CG1-CD 4.47Å; V255-K283 HydrophobicContact CG1-CG 4.28Å; V255-I286 HydrophobicContact CG2-CB 4.33Å; V255-I286 HydrophobicContact CG2-CG2 3.89Å
256E86.9Confident85.4Confident155 Ų15557.8 Ų57.872%0.72429%0.293SS*.Hα-helixtrans-71.5-45.6179-64.4-174169.900111.3N254 F258 T259 T260N254-E256 VanDerWaalsContact C-N 3.27Å; N254-E256 PolarHBondContact O-N 2.89Å; N254-E256 PolarHBondContact OD1-N 3.07Å; N254-E256 VanDerWaalsContact OD1-N 3.12Å; E256-F258 VanDerWaalsContact C-N 3.33Å; E256-F258 PolarHBondContact O-N 2.94Å; E256-T259 PolarHBondContact O-N 2.85Å; E256-T260 WeakPolarHBondContact O-CB 3.49Å; E256-T260 PolarHBondContact O-N 2.87Å; E256-T260 PolarHBondContact O-OG1 2.96Å
257A87.2Confident85.4Confident35 Ų3564.2 Ų64.229%0.28933%0.328SS..Hα-helixtrans-61.8-42.5175.300000111.1A249 N254 T260 A261A249-A257 HydrophobicContact CB-CB 3.91Å; N254-A257 HydrophobicContact CB-CB 3.89Å; N254-A257 PolarHBondContact O-N 3.27Å; N254-A257 PolarHBondContact OD1-N 3.22Å; A257-T260 PolarHBondContact O-N 3.46Å; A257-A261 WeakPolarHBondContact O-CB 3.39Å; A257-A261 PolarHBondContact O-N 3.38Å
258F85.4Confident85.3Confident4 Ų468.8 Ų68.82%0.01835%0.35CS..Hα-helixtrans-59.7-50.1175.6-176.3-82.1000111.1L246 A249 L250 N254 E256 T260 A261 V262 L279 L282 K283 I286L246-F258 HydrophobicContact CD1-CD2 3.62Å; L246-F258 HydrophobicContact CD1-CE2 3.21Å; L246-F258 HydrophobicContact CD1-CZ 3.82Å; L246-F258 HydrophobicContact CG-CE2 4.34Å; A249-F258 HydrophobicContact CB-CB 3.9Å; L250-F258 HydrophobicContact CD2-CD2 4.33Å; L250-F258 HydrophobicContact CD2-CE2 4.11Å; L250-F258 HydrophobicContact CG-CD2 4.25Å; L250-F258 HydrophobicContact CG-CE2 4.22Å; N254-F258 WeakPolarHBondContact O-CB 3.3Å; N254-F258 PolarHBondContact O-N 3.38Å; E256-F258 VanDerWaalsContact C-N 3.33Å; E256-F258 PolarHBondContact O-N 2.94Å; F258-T260 VanDerWaalsContact C-N 3.32Å; F258-T260 PolarHBondContact O-N 3.32Å; F258-A261 PolarHBondContact O-N 3.28Å; F258-V262 HydrophobicContact CD1-CG2 4.06Å; F258-V262 HydrophobicContact CE1-CG2 3.74Å; F258-V262 HydrophobicContact CZ-CG2 4.21Å; F258-V262 WeakPolarHBondContact O-CG2 3.46Å; F258-V262 PolarHBondContact O-N 3.05Å; F258-L279 HydrophobicContact CZ-CB 4.31Å; F258-L279 HydrophobicContact CZ-CD2 4.12Å; F258-L279 WeakPolarHBondContact CZ-O 3.37Å; F258-L282 HydrophobicContact CE2-CB 4.32Å; F258-L282 HydrophobicContact CZ-CB 4.1Å; F258-K283 HydrophobicContact CD1-CB 4.09Å; F258-K283 HydrophobicContact CD1-CD 4.44Å; F258-K283 HydrophobicContact CD1-CG 4.25Å; F258-K283 HydrophobicContact CE1-CB 3.73Å; F258-K283 HydrophobicContact CE1-CG 4.37Å; F258-K283 HydrophobicContact CZ-CB 4.34Å; F258-I286 HydrophobicContact CB-CD1 4.39Å; F258-I286 HydrophobicContact CD2-CD1 3.61Å; F258-I286 HydrophobicContact CE2-CD1 4.05Å; F258-I286 HydrophobicContact CG-CD1 4.06Å
259T86.9Confident84.9Confident34 Ų3466.8 Ų66.821%0.20935%0.345CS..Hα-helixtrans-63.2-40.9-178.9-57.80000111.1V255 E256 V262 Q263 K283V255-T259 WeakPolarHBondContact O-CB 3.46Å; V255-T259 PolarHBondContact O-N 3.26Å; V255-T259 PolarHBondContact O-OG1 2.94Å; E256-T259 PolarHBondContact O-N 2.85Å; T259-V262 PolarHBondContact O-N 2.92Å; T259-Q263 HydrophobicContact CG2-CG 4.48Å; T259-Q263 WeakPolarHBondContact O-CB 3.28Å; T259-Q263 VanDerWaalsContact O-CG 3.28Å; T259-Q263 WeakPolarHBondContact O-CG 3.47Å; T259-Q263 PolarHBondContact O-N 2.97Å; T259-K283 WeakPolarHBondContact OG1-CE 3.48Å; T259-K283 PolarHBondContact OG1-NZ 3.01Å
260T88.1Confident84.7Confident65 Ų6576.3 Ų76.340%0.39938%0.38SS..Hα-helixtrans-63.3-46.5176.9-56.80000111E256 A257 F258 V262 Q263 E264E256-T260 WeakPolarHBondContact O-CB 3.49Å; E256-T260 PolarHBondContact O-N 2.87Å; E256-T260 PolarHBondContact O-OG1 2.96Å; A257-T260 PolarHBondContact O-N 3.46Å; F258-T260 VanDerWaalsContact C-N 3.32Å; F258-T260 PolarHBondContact O-N 3.32Å; T260-V262 PolarHBondContact O-N 3.39Å; T260-Q263 PolarHBondContact O-N 3.39Å; T260-E264 HydrophobicContact CG2-CG 4.35Å; T260-E264 WeakPolarHBondContact O-CB 3.45Å; T260-E264 WeakPolarHBondContact O-CG 3.47Å; T260-E264 PolarHBondContact O-N 2.98Å
261A85.8Confident84.7Confident4 Ų476 Ų763%0.03338%0.378CS..Hα-helixtrans-59.7-45178.300000111.9F242 K245 A257 F258 Y265F242-A261 HydrophobicContact CD2-CB 4.31Å; F242-A261 VanDerWaalsContact CD2-O 3.3Å; F242-A261 WeakPolarHBondContact CD2-O 3.08Å; F242-A261 HydrophobicContact CE2-CB 4.31Å; F242-A261 WeakPolarHBondContact CE2-O 3.49Å; K245-A261 HydrophobicContact CB-CB 3.76Å; K245-A261 HydrophobicContact CD-CB 4.37Å; A257-A261 WeakPolarHBondContact O-CB 3.39Å; A257-A261 PolarHBondContact O-N 3.38Å; F258-A261 PolarHBondContact O-N 3.28Å; A261-Y265 WeakPolarHBondContact O-CB 3.49Å; A261-Y265 PolarHBondContact O-N 3.33Å
262V85.6Confident84.6Confident26 Ų2674.5 Ų74.516%0.15837%0.372CS..Hα-helixtrans-64.7-42.2177.9174.70000111.5F242 L246 F258 T259 T260 Y265 D266 L271 L279F242-V262 HydrophobicContact CE2-CB 4.39Å; F242-V262 HydrophobicContact CE2-CG2 3.9Å; F242-V262 HydrophobicContact CZ-CG2 4.09Å; L246-V262 HydrophobicContact CD1-CG2 4.5Å; F258-V262 HydrophobicContact CD1-CG2 4.06Å; F258-V262 HydrophobicContact CE1-CG2 3.74Å; F258-V262 HydrophobicContact CZ-CG2 4.21Å; F258-V262 WeakPolarHBondContact O-CG2 3.46Å; F258-V262 PolarHBondContact O-N 3.05Å; T259-V262 PolarHBondContact O-N 2.92Å; T260-V262 PolarHBondContact O-N 3.39Å; V262-Y265 PolarHBondContact O-N 2.89Å; V262-D266 VanDerWaalsContact O-CB 3.32Å; V262-D266 WeakPolarHBondContact O-CB 3.13Å; V262-D266 PolarHBondContact O-N 3.32Å; V262-L271 HydrophobicContact CG1-CD1 3.89Å; V262-L279 HydrophobicContact CG1-CD1 4.22Å; V262-L279 HydrophobicContact CG2-CD1 4.2Å
263Q86.3Confident84.4Confident114 Ų11473.7 Ų73.753%0.53338%0.378SS..Hα-helixtrans-66.8-45.8178.2-75.3176.4-4.400112.6T259 T260 Y265 D266 N267T259-Q263 HydrophobicContact CG2-CG 4.48Å; T259-Q263 WeakPolarHBondContact O-CB 3.28Å; T259-Q263 VanDerWaalsContact O-CG 3.28Å; T259-Q263 WeakPolarHBondContact O-CG 3.47Å; T259-Q263 PolarHBondContact O-N 2.97Å; T260-Q263 PolarHBondContact O-N 3.39Å; Q263-Y265 VanDerWaalsContact C-N 3.27Å; Q263-Y265 PolarHBondContact O-N 3.18Å; Q263-D266 PolarHBondContact O-N 3.19Å; Q263-N267 WeakPolarHBondContact O-CB 3.47Å; Q263-N267 PolarHBondContact O-N 3.07Å; Q263-N267 PolarHBondContact O-ND2 3.15Å; Q263-N267 VanDerWaalsContact O-ND2 3.07Å
264E85.1Confident84.6Confident86 Ų8668.3 Ų68.340%0.40235%0.351SS..Hα-helixtrans-58-43.4176.1-76.2-179.5178.100111.3K245 T260 I268K245-E264 IonicContact NZ-OE1 3.67Å; K245-E264 IonicContact NZ-OE2 2.7Å; K245-E264 PolarHBondContact NZ-OE2 3.37Å; T260-E264 HydrophobicContact CG2-CG 4.35Å; T260-E264 WeakPolarHBondContact O-CB 3.45Å; T260-E264 WeakPolarHBondContact O-CG 3.47Å; T260-E264 PolarHBondContact O-N 2.98Å; E264-I268 WeakPolarHBondContact O-CG1 3.45Å; E264-I268 PolarHBondContact O-N 3.4Å
265Y83.1Confident84.5Confident16 Ų1666 Ų666%0.06334%0.339CS..Hα-helixtrans-70.3-45.2178.8-173.1-102.4000112.3F202 P238 F239 F242 A261 V262 Q263 N267 I268 T269 L271F202-Y265 HydrophobicContact CE1-CE1 4.3Å; F202-Y265 HydrophobicContact CZ-CE1 4.1Å; P238-Y265 WeakPolarHBondContact O-CD2 3.44Å; F239-Y265 HydrophobicContact CB-CE2 4.3Å; F239-Y265 HydrophobicContact CD2-CE2 4.36Å; F239-Y265 WeakPolarHBondContact CD2-OH 3.28Å; F242-Y265 HydrophobicContact CB-CD2 3.46Å; F242-Y265 VanDerWaalsContact CB-CD2 3.46Å; F242-Y265 HydrophobicContact CB-CE2 4.13Å; F242-Y265 HydrophobicContact CB-CG 3.77Å; F242-Y265 HydrophobicContact CD1-CD1 4.03Å; F242-Y265 HydrophobicContact CD1-CD2 4.24Å; F242-Y265 HydrophobicContact CD1-CE1 4.38Å; F242-Y265 AromaticContact CD1-CG 3.95Å; F242-Y265 HydrophobicContact CD1-CG 3.95Å; F242-Y265 HydrophobicContact CD2-CD1 4.4Å; F242-Y265 HydrophobicContact CD2-CD2 4.41Å; F242-Y265 AromaticContact CD2-CG 3.82Å; F242-Y265 HydrophobicContact CD2-CG 3.82Å; F242-Y265 HydrophobicContact CE1-CD1 4.33Å; F242-Y265 HydrophobicContact CE2-CG 4.45Å; F242-Y265 HydrophobicContact CG-CD1 4.07Å; F242-Y265 AromaticContact CG-CD2 3.77Å; F242-Y265 HydrophobicContact CG-CD2 3.77Å; F242-Y265 HydrophobicContact CG-CE2 4.48Å; F242-Y265 AromaticContact CG-CG 3.53Å; F242-Y265 HydrophobicContact CG-CG 3.53Å; A261-Y265 WeakPolarHBondContact O-CB 3.49Å; A261-Y265 PolarHBondContact O-N 3.33Å; V262-Y265 PolarHBondContact O-N 2.89Å; Q263-Y265 VanDerWaalsContact C-N 3.27Å; Q263-Y265 PolarHBondContact O-N 3.18Å; Y265-N267 VanDerWaalsContact C-N 3.26Å; Y265-N267 PolarHBondContact O-N 3.11Å; Y265-I268 PolarHBondContact O-N 3.39Å; Y265-T269 HydrophobicContact CE1-CG2 4.35Å; Y265-T269 CarbonylContact O-C 3.4Å; Y265-T269 PolarHBondContact O-N 2.96Å; Y265-T269 VanDerWaalsContact O-O 3.14Å; Y265-L271 HydrophobicContact CD1-CD2 3.68Å; Y265-L271 HydrophobicContact CD1-CG 4.24Å; Y265-L271 HydrophobicContact CE1-CD2 3.62Å
266D85.3Confident84.4Confident33 Ų3366.4 Ų66.418%0.17634%0.341CS..Hα-helixtrans-61.6-33.4178.5-171.256.7000112.7V262 Q263 I268 T269 R270 L271V262-D266 VanDerWaalsContact O-CB 3.32Å; V262-D266 WeakPolarHBondContact O-CB 3.13Å; V262-D266 PolarHBondContact O-N 3.32Å; Q263-D266 PolarHBondContact O-N 3.19Å; D266-I268 VanDerWaalsContact C-N 3.29Å; D266-I268 PolarHBondContact O-N 2.82Å; D266-T269 WeakPolarHBondContact CA-O 3.31Å; D266-T269 CarbonylContact O-C 3.57Å; D266-R270 PolarHBondContact O-N 3.36Å; D266-R270 WeakPolarHBondContact OD1-CA 3.49Å; D266-R270 WeakPolarHBondContact OD1-CD 3.36Å; D266-R270 IonicContact OD1-NH1 3.41Å; D266-R270 IonicContact OD2-CZ 3.5Å; D266-R270 IonicContact OD2-NH1 2.84Å; D266-R270 PolarHBondContact OD2-NH1 2.8Å; D266-L271 HydrophobicContact CB-CD1 4.08Å; D266-L271 HydrophobicContact CB-CG 4.21Å; D266-L271 WeakPolarHBondContact OD1-CB 3.48Å; D266-L271 PolarHBondContact OD1-N 2.66Å
267N83.4Confident84.4Confident137 Ų13761.8 Ų61.873%0.73333%0.326SS*.Hα-helixtrans-66.5-29.4174.8-75.4-29000113Q263 Y265Q263-N267 WeakPolarHBondContact O-CB 3.47Å; Q263-N267 PolarHBondContact O-N 3.07Å; Q263-N267 PolarHBondContact O-ND2 3.15Å; Q263-N267 VanDerWaalsContact O-ND2 3.07Å; Y265-N267 VanDerWaalsContact C-N 3.26Å; Y265-N267 PolarHBondContact O-N 3.11Å
268I81.9Confident84.3Confident112 Ų11260.5 Ų60.557%0.57432%0.315SS*.Hα-helixtrans-91.9-46.8179.3-61.7167.6000110.5P238 E264 Y265 D266P238-I268 HydrophobicContact CB-CD1 4.13Å; P238-I268 HydrophobicContact CB-CG2 4.05Å; P238-I268 HydrophobicContact CG-CD1 4.48Å; P238-I268 HydrophobicContact CG-CG2 4.02Å; E264-I268 WeakPolarHBondContact O-CG1 3.45Å; E264-I268 PolarHBondContact O-N 3.4Å; Y265-I268 PolarHBondContact O-N 3.39Å; D266-I268 VanDerWaalsContact C-N 3.29Å; D266-I268 PolarHBondContact O-N 2.82Å
269T78.6Confident84.3Confident63 Ų6360.5 Ų60.539%0.38732%0.315SS..SBendtrans-132.4104.8-178-58.70000108.7Y265 D266 L271Y265-T269 HydrophobicContact CE1-CG2 4.35Å; Y265-T269 CarbonylContact O-C 3.4Å; Y265-T269 PolarHBondContact O-N 2.96Å; Y265-T269 VanDerWaalsContact O-O 3.14Å; D266-T269 WeakPolarHBondContact CA-O 3.31Å; D266-T269 CarbonylContact O-C 3.57Å; T269-L271 PolarHBondContact O-N 3.28Å
270R81.8Confident84.2Confident201 Ų20163.7 Ų63.776%0.75833%0.33SS*.PPolyproline II helixtrans-54.7127.2-178.7-171.468.4178.8172.2-6.2111.2D266D266-R270 PolarHBondContact O-N 3.36Å; D266-R270 WeakPolarHBondContact OD1-CA 3.49Å; D266-R270 WeakPolarHBondContact OD1-CD 3.36Å; D266-R270 IonicContact OD1-NH1 3.41Å; D266-R270 IonicContact OD2-CZ 3.5Å; D266-R270 IonicContact OD2-NH1 2.84Å; D266-R270 PolarHBondContact OD2-NH1 2.8Å
271L81.5Confident84Confident14 Ų1465.3 Ų65.37%0.07333%0.332CS..PPolyproline II helixtrans-77.4137.3177.9-68.6173.6000111.4F202 V262 Y265 D266 T269 I275 T276 L279F202-L271 HydrophobicContact CE1-CD2 4.17Å; F202-L271 HydrophobicContact CZ-CD2 4.43Å; V262-L271 HydrophobicContact CG1-CD1 3.89Å; Y265-L271 HydrophobicContact CD1-CD2 3.68Å; Y265-L271 HydrophobicContact CD1-CG 4.24Å; Y265-L271 HydrophobicContact CE1-CD2 3.62Å; D266-L271 HydrophobicContact CB-CD1 4.08Å; D266-L271 HydrophobicContact CB-CG 4.21Å; D266-L271 WeakPolarHBondContact OD1-CB 3.48Å; D266-L271 PolarHBondContact OD1-N 2.66Å; T269-L271 PolarHBondContact O-N 3.28Å; L271-I275 HydrophobicContact CD2-CG2 3.9Å; L271-T276 WeakPolarHBondContact CB-OG1 3.43Å; L271-L279 HydrophobicContact CD1-CD1 3.75Å
272E82.8Confident83.8Confident93 Ų9365.5 Ų65.544%0.43533%0.332SS..PPolyproline II helixtrans-67.3144.3171.2-67179.7-175.400110.3K203 W274 I275 T276K203-E272 WeakPolarHBondContact CE-OE2 3.46Å; K203-E272 IonicContact NZ-OE1 2.9Å; K203-E272 IonicContact NZ-OE2 3.99Å; K203-E272 PolarHBondContact NZ-OE2 2.94Å; E272-W274 PolarHBondContact O-N 2.88Å; E272-I275 HydrophobicContact CB-CD1 4.23Å; E272-I275 HydrophobicContact CB-CG1 4.33Å; E272-I275 WeakPolarHBondContact O-CB 3.26Å; E272-I275 PolarHBondContact O-N 3.49Å; E272-T276 PolarHBondContact O-N 3.19Å; E272-T276 PolarHBondContact O-OG1 3.4Å
273P84.2Confident83.7Confident115 Ų11567.4 Ų67.475%0.74734%0.338SS*.Hα-helixtrans-52.6-36.6-177.6-28.734.7000114.5T276 S277P273-T276 PolarHBondContact O-N 3.24Å; P273-S277 PolarHBondContact O-N 3.01Å
274W85.1Confident83.5Confident28 Ų2869.3 Ų69.311%0.10634%0.344CS..Hα-helixtrans-64.4-44.5177.2-178.184.5000111.9Q165 C168 F180 K203 E272 S277 L278Q165-W274 HydrophobicContact CB-CZ2 4.45Å; Q165-W274 HydrophobicContact CG-CD2 4.25Å; Q165-W274 HydrophobicContact CG-CZ2 4.18Å; Q165-W274 PolarHBondContact O-NE1 3.33Å; C168-W274 HydrophobicContact CB-CZ2 3.95Å; F180-W274 HydrophobicContact CD2-CH2 4.34Å; F180-W274 AromaticContact CE2-CH2 3.34Å; F180-W274 HydrophobicContact CE2-CH2 3.34Å; F180-W274 AromaticContact CE2-CZ2 3.81Å; F180-W274 HydrophobicContact CE2-CZ2 3.81Å; F180-W274 HydrophobicContact CE2-CZ3 4.21Å; F180-W274 AromaticContact CZ-CH2 3.62Å; F180-W274 HydrophobicContact CZ-CH2 3.62Å; F180-W274 AromaticContact CZ-CZ2 3.96Å; F180-W274 HydrophobicContact CZ-CZ2 3.96Å; F180-W274 HydrophobicContact CZ-CZ3 4.19Å; K203-W274 HydrophobicContact CB-CH2 4.29Å; K203-W274 HydrophobicContact CB-CZ3 3.84Å; K203-W274 HydrophobicContact CD-CE3 4.31Å; K203-W274 HydrophobicContact CD-CZ3 3.97Å; K203-W274 HydrophobicContact CG-CE3 4.31Å; K203-W274 HydrophobicContact CG-CZ3 3.67Å; E272-W274 PolarHBondContact O-N 2.88Å; W274-S277 WeakPolarHBondContact O-CB 3.36Å; W274-S277 PolarHBondContact O-N 3.37Å; W274-S277 PolarHBondContact O-OG 3.02Å; W274-L278 HydrophobicContact CD2-CD1 4.23Å; W274-L278 HydrophobicContact CE3-CD1 4.07Å; W274-L278 HydrophobicContact CH2-CD1 3.35Å; W274-L278 HydrophobicContact CZ2-CD1 3.54Å; W274-L278 HydrophobicContact CZ2-CG 4.47Å; W274-L278 HydrophobicContact CZ3-CD1 3.62Å; W274-L278 PolarHBondContact O-N 3.24Å
275I83.1Confident83.2Confident8 Ų870.6 Ų70.64%0.04136%0.359CS..Hα-helixtrans-64.1-45.5177.5-63.7174.8000110F202 K203 I206 L271 E272 S277 L278 L279F202-I275 HydrophobicContact CD1-CD1 3.85Å; F202-I275 HydrophobicContact CE1-CD1 3.84Å; F202-I275 HydrophobicContact CE1-CG2 4.06Å; K203-I275 HydrophobicContact CG-CD1 4.25Å; K203-I275 HydrophobicContact CG-CG1 4.37Å; I206-I275 HydrophobicContact CD1-CG2 3.39Å; L271-I275 HydrophobicContact CD2-CG2 3.9Å; E272-I275 HydrophobicContact CB-CD1 4.23Å; E272-I275 HydrophobicContact CB-CG1 4.33Å; E272-I275 WeakPolarHBondContact O-CB 3.26Å; E272-I275 PolarHBondContact O-N 3.49Å; I275-S277 PolarHBondContact O-N 3.4Å; I275-L278 PolarHBondContact O-N 2.71Å; I275-L278 VanDerWaalsContact O-N 3.1Å; I275-L279 HydrophobicContact CG2-CD1 3.83Å; I275-L279 HydrophobicContact CG2-CG 4.24Å; I275-L279 WeakPolarHBondContact O-CG 3.37Å; I275-L279 PolarHBondContact O-N 3.07Å
276T85.2Confident82.8Confident51 Ų5170.8 Ų70.831%0.31336%0.36SS..Hα-helixtrans-56.6-41.4175.9-53.70000111.2L271 E272 P273 L278 L279 L280L271-T276 WeakPolarHBondContact CB-OG1 3.43Å; E272-T276 PolarHBondContact O-N 3.19Å; E272-T276 PolarHBondContact O-OG1 3.4Å; P273-T276 PolarHBondContact O-N 3.24Å; T276-L278 VanDerWaalsContact C-N 3.32Å; T276-L278 PolarHBondContact O-N 3.4Å; T276-L279 PolarHBondContact O-N 2.98Å; T276-L280 HydrophobicContact CG2-CD1 4.19Å; T276-L280 HydrophobicContact CG2-CG 4.45Å; T276-L280 WeakPolarHBondContact O-CB 3.47Å; T276-L280 VanDerWaalsContact O-CG 3.24Å; T276-L280 WeakPolarHBondContact O-CG 3.45Å; T276-L280 PolarHBondContact O-N 2.94Å
277S86.3Confident82.2Confident58 Ų5870.1 Ų70.141%0.40636%0.358SS..Hα-helixtrans-62.3-37.8178.180.90000113P273 W274 I275 K281P273-S277 PolarHBondContact O-N 3.01Å; W274-S277 WeakPolarHBondContact O-CB 3.36Å; W274-S277 PolarHBondContact O-N 3.37Å; W274-S277 PolarHBondContact O-OG 3.02Å; I275-S277 PolarHBondContact O-N 3.4Å; S277-K281 PolarHBondContact O-N 3.43Å
278L84.5Confident81Confident9 Ų972.2 Ų72.25%0.04736%0.364CS..Hα-helixtrans-74-39.9176.9-65.5-175.5000112.4C168 I206 W274 I275 T276 L280 K281 L282C168-L278 WeakPolarHBondContact SG-CD2 3.31Å; I206-L278 HydrophobicContact CG2-CB 3.77Å; I206-L278 HydrophobicContact CG2-CD1 3.97Å; W274-L278 HydrophobicContact CD2-CD1 4.23Å; W274-L278 HydrophobicContact CE3-CD1 4.07Å; W274-L278 HydrophobicContact CH2-CD1 3.35Å; W274-L278 HydrophobicContact CZ2-CD1 3.54Å; W274-L278 HydrophobicContact CZ2-CG 4.47Å; W274-L278 HydrophobicContact CZ3-CD1 3.62Å; W274-L278 PolarHBondContact O-N 3.24Å; I275-L278 PolarHBondContact O-N 2.71Å; I275-L278 VanDerWaalsContact O-N 3.1Å; T276-L278 VanDerWaalsContact C-N 3.32Å; T276-L278 PolarHBondContact O-N 3.4Å; L278-L280 VanDerWaalsContact C-N 3.28Å; L278-L280 PolarHBondContact O-N 3.4Å; L278-K281 WeakPolarHBondContact O-CB 3.32Å; L278-K281 PolarHBondContact O-N 3.42Å; L278-K281 VanDerWaalsContact O-N 3.14Å; L278-L282 PolarHBondContact O-N 3.05Å
279L85.1Confident79.3Confident4 Ų474.8 Ų74.82%0.02137%0.373CS..Hα-helixtrans-64.3-35.7175.2-69.1171.8000111.4I206 F242 L246 F258 V262 L271 I275 T276 L282 K283I206-L279 HydrophobicContact CD1-CD2 4.27Å; I206-L279 HydrophobicContact CD1-CG 4.43Å; F242-L279 HydrophobicContact CZ-CD1 4.26Å; F242-L279 HydrophobicContact CZ-CD2 4.39Å; L246-L279 HydrophobicContact CD1-CD2 4.1Å; L246-L279 HydrophobicContact CD2-CD2 4.19Å; F258-L279 HydrophobicContact CZ-CB 4.31Å; F258-L279 HydrophobicContact CZ-CD2 4.12Å; F258-L279 WeakPolarHBondContact CZ-O 3.37Å; V262-L279 HydrophobicContact CG1-CD1 4.22Å; V262-L279 HydrophobicContact CG2-CD1 4.2Å; L271-L279 HydrophobicContact CD1-CD1 3.75Å; I275-L279 HydrophobicContact CG2-CD1 3.83Å; I275-L279 HydrophobicContact CG2-CG 4.24Å; I275-L279 WeakPolarHBondContact O-CG 3.37Å; I275-L279 PolarHBondContact O-N 3.07Å; T276-L279 PolarHBondContact O-N 2.98Å; L279-L282 HydrophobicContact CD2-CD1 4.35Å; L279-L282 PolarHBondContact O-N 3.2Å; L279-K283 WeakPolarHBondContact O-CB 3.44Å; L279-K283 PolarHBondContact O-N 3.25Å
280L86Confident77.6Confident100 Ų10080 Ų8052%0.52439%0.393SS..Hα-helixtrans-66.1-39.8171.8-71.3172.5000111.8T276 L278 K283 K284T276-L280 HydrophobicContact CG2-CD1 4.19Å; T276-L280 HydrophobicContact CG2-CG 4.45Å; T276-L280 WeakPolarHBondContact O-CB 3.47Å; T276-L280 VanDerWaalsContact O-CG 3.24Å; T276-L280 WeakPolarHBondContact O-CG 3.45Å; T276-L280 PolarHBondContact O-N 2.94Å; L278-L280 VanDerWaalsContact C-N 3.28Å; L278-L280 PolarHBondContact O-N 3.4Å; L280-K283 PolarHBondContact O-N 3.45Å; L280-K284 WeakPolarHBondContact O-CG 3.47Å; L280-K284 PolarHBondContact O-N 2.98Å; L280-K284 VanDerWaalsContact O-N 3.09Å
281K83.3Confident75.7Confident100 Ų10076.9 Ų76.944%0.43539%0.392SS..Hα-helixtrans-61.9-43.5173.7-174177.8177.9-178.30111.4S277 L278 K284 T285S277-K281 PolarHBondContact O-N 3.43Å; L278-K281 WeakPolarHBondContact O-CB 3.32Å; L278-K281 PolarHBondContact O-N 3.42Å; L278-K281 VanDerWaalsContact O-N 3.14Å; K281-K284 PolarHBondContact O-N 3.27Å; K281-T285 PolarHBondContact O-N 3.21Å; K281-T285 PolarHBondContact O-OG1 3.16Å
282L82.5Confident73.5Confident8 Ų884.4 Ų84.44%0.04243%0.43CS..Hα-helixtrans-62.4-45.4174.7-79.4170.2000112.2I206 F209 C210 F258 L278 L279 K284 T285 I286I206-L282 HydrophobicContact CG2-CD1 4.24Å; F209-L282 HydrophobicContact CB-CD1 3.99Å; F209-L282 HydrophobicContact CB-CD2 4.29Å; F209-L282 WeakPolarHBondContact O-CD2 3.35Å; C210-L282 HydrophobicContact CB-CD2 4.45Å; F258-L282 HydrophobicContact CE2-CB 4.32Å; F258-L282 HydrophobicContact CZ-CB 4.1Å; L278-L282 PolarHBondContact O-N 3.05Å; L279-L282 HydrophobicContact CD2-CD1 4.35Å; L279-L282 PolarHBondContact O-N 3.2Å; L282-K284 VanDerWaalsContact C-N 3.25Å; L282-K284 PolarHBondContact O-N 3.04Å; L282-T285 WeakPolarHBondContact O-CB 3.3Å; L282-T285 PolarHBondContact O-N 3.04Å; L282-I286 WeakPolarHBondContact O-CG1 3.27Å; L282-I286 PolarHBondContact O-N 3.2Å
283K83Confident71.2Confident65 Ų6589.2 Ų89.228%0.28347%0.466SS..Hα-helixtrans-56-42.6176.7-177.1175.7171.6168.30111.5V255 F258 T259 L279 L280 T285 I286 S287V255-K283 HydrophobicContact CG1-CD 4.47Å; V255-K283 HydrophobicContact CG1-CG 4.28Å; F258-K283 HydrophobicContact CD1-CB 4.09Å; F258-K283 HydrophobicContact CD1-CD 4.44Å; F258-K283 HydrophobicContact CD1-CG 4.25Å; F258-K283 HydrophobicContact CE1-CB 3.73Å; F258-K283 HydrophobicContact CE1-CG 4.37Å; F258-K283 HydrophobicContact CZ-CB 4.34Å; T259-K283 WeakPolarHBondContact OG1-CE 3.48Å; T259-K283 PolarHBondContact OG1-NZ 3.01Å; L279-K283 WeakPolarHBondContact O-CB 3.44Å; L279-K283 PolarHBondContact O-N 3.25Å; L280-K283 PolarHBondContact O-N 3.45Å; K283-T285 PolarHBondContact O-N 2.95Å; K283-I286 PolarHBondContact O-N 3.46Å; K283-I286 VanDerWaalsContact O-N 3.11Å; K283-S287 PolarHBondContact O-N 3.04Å; K283-S287 PolarHBondContact O-OG 3.42Å
284K82.6Confident70.6Confident154 Ų15487.9 Ų87.967%0.6745%0.452SS*.Hα-helixtrans-63.4-26.3176.7-73.9-174.3173.9-155.90113.7L280 K281 L282 I286 S287L280-K284 WeakPolarHBondContact O-CG 3.47Å; L280-K284 PolarHBondContact O-N 2.98Å; L280-K284 VanDerWaalsContact O-N 3.09Å; K281-K284 PolarHBondContact O-N 3.27Å; L282-K284 VanDerWaalsContact C-N 3.25Å; L282-K284 PolarHBondContact O-N 3.04Å; K284-I286 VanDerWaalsContact C-N 3.33Å; K284-S287 WeakPolarHBondContact CA-OG 3.5Å
285T77.3Confident69.8Low114 Ų11491.1 Ų91.170%0.69947%0.47SS*.Hα-helixtrans-74.4-26.7175.3-510000112K281 L282 K283K281-T285 PolarHBondContact O-N 3.21Å; K281-T285 PolarHBondContact O-OG1 3.16Å; L282-T285 WeakPolarHBondContact O-CB 3.3Å; L282-T285 PolarHBondContact O-N 3.04Å; K283-T285 PolarHBondContact O-N 2.95Å
286I76Confident69.1Low19 Ų1995.7 Ų95.710%0.09749%0.494CS..Hα-helixtrans-88.7-39.1-180-51164.9000111.5L250 E253 V255 F258 L282 K283 K284 E288L250-I286 HydrophobicContact CD2-CD1 3.38Å; L250-I286 HydrophobicContact CD2-CG1 3.8Å; L250-I286 HydrophobicContact CG-CD1 4.22Å; E253-I286 HydrophobicContact CB-CG2 3.79Å; E253-I286 HydrophobicContact CG-CG2 4.36Å; E253-I286 VanDerWaalsContact O-CG2 3.25Å; E253-I286 WeakPolarHBondContact O-CG2 3.39Å; V255-I286 HydrophobicContact CG2-CB 4.33Å; V255-I286 HydrophobicContact CG2-CG2 3.89Å; F258-I286 HydrophobicContact CB-CD1 4.39Å; F258-I286 HydrophobicContact CD2-CD1 3.61Å; F258-I286 HydrophobicContact CE2-CD1 4.05Å; F258-I286 HydrophobicContact CG-CD1 4.06Å; L282-I286 WeakPolarHBondContact O-CG1 3.27Å; L282-I286 PolarHBondContact O-N 3.2Å; K283-I286 PolarHBondContact O-N 3.46Å; K283-I286 VanDerWaalsContact O-N 3.11Å; K284-I286 VanDerWaalsContact C-N 3.33Å; I286-E288 PolarHBondContact O-N 3.03Å
287S72.2Confident68.2Low19 Ų1998.3 Ų98.313%0.13351%0.505CS..SBendtrans-74.5107.617158.30000107.6K283 K284 E289K283-S287 PolarHBondContact O-N 3.04Å; K283-S287 PolarHBondContact O-OG 3.42Å; K284-S287 WeakPolarHBondContact CA-OG 3.5Å; S287-E289 PolarHBondContact O-N 3.16Å
288E58.5Low67Low182 Ų182100.8 Ų100.885%0.8551%0.511SS*.  trans-63.437.5160.8-64.1-177.1155.300111.7I286 E290I286-E288 PolarHBondContact O-N 3.03Å; E288-E290 PolarHBondContact O-N 3.08Å
289E46.8Very low65.9Low166 Ų166106.9 Ų106.978%0.77654%0.542SS*.  trans-6875.5157.7-75-175.5172.400106.1S287 D291S287-E289 PolarHBondContact O-N 3.16Å; E289-D291 PolarHBondContact O-N 2.79Å; E289-D291 VanDerWaalsContact O-N 3.07Å
290E41.9Very low64.5Low171 Ų171114.3 Ų114.380%0.79958%0.579SS**  trans-41.5115.3152.9-70.6-176.6151.200105.8E288 I292E288-E290 PolarHBondContact O-N 3.08Å; E290-I292 VanDerWaalsContact C-N 3.32Å; E290-I292 PolarHBondContact O-N 3.47Å
291D41.7Very low62.8Low137 Ų137115.4 Ų115.473%0.73358%0.583SS**  trans-50.9104.4168.9-81.6-47.8000106.5E289 T293E289-D291 PolarHBondContact O-N 2.79Å; E289-D291 VanDerWaalsContact O-N 3.07Å; D291-T293 PolarHBondContact O-N 2.8Å
292I34.7Very low61.1Low171 Ų171116.7 Ų116.788%0.87760%0.596SS**  trans-68.185.3168.4-52.6173000105.4E290E290-I292 VanDerWaalsContact C-N 3.32Å; E290-I292 PolarHBondContact O-N 3.47Å
293T36.4Very low59.2Low194 Ų194126.5 Ų126.5100%1.1965%0.646SS**  trans-135.60163.846.80000110.3D291D291-T293 PolarHBondContact O-N 2.8Å

Retrieved 293 of 293 residues in 155.3 ms (Link to these results)

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