A0A077Z5F8_TRITR Loading...

Sulfotransfer 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5F8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 329 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
1M39.9Very low57.8Low190 Ų190100.6 Ų100.694%0.93653%0.529SS*.  0122.30-64.4-179.382.400107.1E5M1-E5 VanDerWaalsContact CA-OE2 3.31Å; M1-E5 WeakPolarHBondContact CA-OE2 3.45Å; M1-E5 WeakPolarHBondContact CB-OE2 3.44Å
2S35.2Very low59Low66 Ų6692.5 Ų92.546%0.46249%0.486SS..  trans-69.6148.4179.861.70000109.1S4 E5S2-S4 PolarHBondContact O-N 3.34Å; S2-S4 PolarHBondContact OG-OG 2.73Å; S2-E5 PolarHBondContact N-OE2 2.88Å; S2-E5 PolarHBondContact O-N 3.37Å
3K43.1Very low60.1Low179 Ų17987.7 Ų87.778%0.77846%0.461SS*.G310 helixtrans-53.9-23-178.7-84.2177.5174171.80114.1E5K3-E5 VanDerWaalsContact C-N 3.31Å; K3-E5 PolarHBondContact O-N 3.21Å
4S47.7Very low61.1Low93 Ų9389.5 Ų89.565%0.6547%0.466SS*.G310 helixtrans-71.2-20.6177.3600000114S2 L6S2-S4 PolarHBondContact O-N 3.34Å; S2-S4 PolarHBondContact OG-OG 2.73Å; S4-L6 VanDerWaalsContact C-N 3.32Å
5E51.5Low62.2Low99 Ų9984.4 Ų84.446%0.46344%0.44SS..G310 helixtrans-81.5-11.8179.4-67.5176.5144.900112.9M1 S2 K3 Q14M1-E5 VanDerWaalsContact CA-OE2 3.31Å; M1-E5 WeakPolarHBondContact CA-OE2 3.45Å; M1-E5 WeakPolarHBondContact CB-OE2 3.44Å; S2-E5 PolarHBondContact N-OE2 2.88Å; S2-E5 PolarHBondContact O-N 3.37Å; K3-E5 VanDerWaalsContact C-N 3.31Å; K3-E5 PolarHBondContact O-N 3.21Å; E5-Q14 PolarHBondContact O-OE1 3Å
6L65.8Low63.4Low86 Ų8682.8 Ų82.845%0.4545%0.45SS..SBendtrans-96.4-15.1-175.1-73.7166.6000113.9S4 L13 Q14S4-L6 VanDerWaalsContact C-N 3.32Å; L6-L13 CarbonylContact O-C 3.6Å; L6-L13 WeakPolarHBondContact O-CA 3.31Å; L6-Q14 PolarHBondContact O-N 2.82Å
7L69.2Low64.8Low72 Ų7282.5 Ų82.538%0.37746%0.456SS..BIsolated β-bridgetrans-111.6143.3-175.7-57.5178.5000112N12 L13 Q14L7-N12 CarbonylContact C-O 3.57Å; L7-N12 WeakPolarHBondContact CA-O 3.27Å; L7-L13 HydrophobicContact CD2-CD2 4.01Å; L7-L13 HydrophobicContact CD2-CG 4.48Å; L7-Q14 PolarHBondContact O-NE2 3.21Å
8D74.3Confident66.2Low44 Ų4479.9 Ų79.924%0.23544%0.441CS..  trans-81.5178.5171.17214.1000111.5N10 G11 N12 Q14D8-N10 PolarHBondContact O-N 3.45Å; D8-N10 VanDerWaalsContact O-N 3.1Å; D8-N10 WeakPolarHBondContact OD1-CA 3.37Å; D8-N10 WeakPolarHBondContact OD1-CB 3.42Å; D8-N10 PolarHBondContact OD1-N 2.88Å; D8-G11 PolarHBondContact O-N 2.77Å; D8-G11 PolarHBondContact OD1-N 3.45Å; D8-G11 VanDerWaalsContact OD1-N 3.1Å; D8-N12 PolarHBondContact N-O 3.36Å; D8-N12 PolarHBondContact OD1-N 3.3Å; D8-N12 PolarHBondContact OD1-ND2 3.42Å; D8-N12 WeakPolarHBondContact OD2-CB 3.18Å; D8-N12 PolarHBondContact OD2-ND2 2.92Å; D8-Q14 HydrophobicContact CB-CG 4.41Å
9E69.9Low67.5Low180 Ų18077.8 Ų77.884%0.84143%0.428SS*.THydrogen-bonded Turntrans-60.2-19.4-179.964.7-175.3174.800114.1
10N67.2Low68.6Low77 Ų7781 Ų8141%0.41244%0.439SS..THydrogen-bonded Turntrans-97.24.5178.6-60.6-54.6000112.2D8 N12 R316D8-N10 PolarHBondContact O-N 3.45Å; D8-N10 VanDerWaalsContact O-N 3.1Å; D8-N10 WeakPolarHBondContact OD1-CA 3.37Å; D8-N10 WeakPolarHBondContact OD1-CB 3.42Å; D8-N10 PolarHBondContact OD1-N 2.88Å; N10-N12 WeakPolarHBondContact CB-ND2 3.22Å; N10-R316 PolarHBondContact O-NH1 3.39Å
11G72.5Confident69.7Low21 Ų2181.1 Ų81.122%0.21644%0.438CS..SBendtrans78.316-179.200000114.2D8D8-G11 PolarHBondContact O-N 2.77Å; D8-G11 PolarHBondContact OD1-N 3.45Å; D8-G11 VanDerWaalsContact OD1-N 3.1Å
12N72.4Confident72.2Confident3 Ų372.2 Ų72.22%0.01639%0.394CS..PPolyproline II helixtrans-92.7159.8178.1-46.3-59.8000112.4L7 D8 N10 Q14 T197 S198 R316L7-N12 CarbonylContact C-O 3.57Å; L7-N12 WeakPolarHBondContact CA-O 3.27Å; D8-N12 PolarHBondContact N-O 3.36Å; D8-N12 PolarHBondContact OD1-N 3.3Å; D8-N12 PolarHBondContact OD1-ND2 3.42Å; D8-N12 WeakPolarHBondContact OD2-CB 3.18Å; D8-N12 PolarHBondContact OD2-ND2 2.92Å; N10-N12 WeakPolarHBondContact CB-ND2 3.22Å; N12-Q14 PolarHBondContact O-N 3.33Å; N12-T197 PolarHBondContact OD1-O 3.49Å; N12-S198 VanDerWaalsContact CB-CA 3.47Å; N12-R316 PolarHBondContact ND2-NH1 3.36Å; N12-R316 PolarHBondContact OD1-NH1 3.27Å
13L72.5Confident74.9Confident30 Ų3072.6 Ų72.616%0.15739%0.385CS..BIsolated β-bridgetrans-58.5128.1171-68.1171.8000111.8L6 L7 V15 F193 P194 S198 T308L6-L13 CarbonylContact O-C 3.6Å; L6-L13 WeakPolarHBondContact O-CA 3.31Å; L7-L13 HydrophobicContact CD2-CD2 4.01Å; L7-L13 HydrophobicContact CD2-CG 4.48Å; L13-V15 PolarHBondContact O-N 3.43Å; L13-F193 HydrophobicContact CD1-CD1 4.03Å; L13-F193 HydrophobicContact CD1-CE1 3.62Å; L13-P194 HydrophobicContact CB-CB 4.29Å; L13-P194 HydrophobicContact CD1-CB 4.38Å; L13-P194 HydrophobicContact CD1-CG 4.38Å; L13-S198 WeakPolarHBondContact O-CB 3.35Å; L13-T308 HydrophobicContact CD1-CG2 4.49Å; L13-T308 HydrophobicContact CD2-CG2 4.35Å
14Q74.3Confident77.2Confident113 Ų11372.8 Ų72.853%0.52839%0.386SS..PPolyproline II helixtrans-65.1126.9170.3-67-170.89.200109.5E5 L6 L7 D8 N12E5-Q14 PolarHBondContact O-OE1 3Å; L6-Q14 PolarHBondContact O-N 2.82Å; L7-Q14 PolarHBondContact O-NE2 3.21Å; D8-Q14 HydrophobicContact CB-CG 4.41Å; N12-Q14 PolarHBondContact O-N 3.33Å
15V78.2Confident79.4Confident13 Ų1373.1 Ų73.18%0.07937%0.373CS..  trans-93.3-16.5-177.4-70.70000113.3L13 S17 L18 E19 P194 L195 S198 N200L13-V15 PolarHBondContact O-N 3.43Å; V15-S17 PolarHBondContact O-N 2.84Å; V15-L18 HydrophobicContact CB-CB 4.21Å; V15-L18 WeakPolarHBondContact O-CB 3.39Å; V15-L18 PolarHBondContact O-N 3.17Å; V15-E19 HydrophobicContact CG2-CB 3.83Å; V15-P194 HydrophobicContact CG1-CB 3.97Å; V15-P194 WeakPolarHBondContact CG1-O 3.31Å; V15-L195 HydrophobicContact CB-CD2 4.39Å; V15-L195 HydrophobicContact CG1-CD2 4.15Å; V15-S198 WeakPolarHBondContact CG1-OG 3.29Å; V15-N200 HydrophobicContact CG2-CB 4Å; V15-N200 WeakPolarHBondContact CG2-ND2 3.28Å
16G80.5Confident81.4Confident58 Ų5868.6 Ų68.660%0.59835%0.352SS*.THydrogen-bonded Turntrans50.9-123.8178.300000112.6L18G16-L18 VanDerWaalsContact C-N 3.27Å; G16-L18 PolarHBondContact O-N 3.39Å
17S87Confident82.6Confident78 Ų7866.5 Ų66.555%0.54534%0.344SS..Hα-helixtrans-70.6-16.1177.957.50000114.4V15 E19 Q20 M21V15-S17 PolarHBondContact O-N 2.84Å; S17-E19 VanDerWaalsContact C-N 3.32Å; S17-E19 PolarHBondContact O-N 3.04Å; S17-Q20 PolarHBondContact O-N 3.32Å; S17-M21 WeakPolarHBondContact O-CG 3.36Å; S17-M21 PolarHBondContact O-N 3.19Å
18L90.6Very high83.7Confident37 Ų3772.6 Ų72.619%0.19436%0.362CS..Hα-helixtrans-62.2-37.2-179.2-70167.1000112V15 G16 Q20 M21 Y22 D191 P194 L195V15-L18 HydrophobicContact CB-CB 4.21Å; V15-L18 WeakPolarHBondContact O-CB 3.39Å; V15-L18 PolarHBondContact O-N 3.17Å; G16-L18 VanDerWaalsContact C-N 3.27Å; G16-L18 PolarHBondContact O-N 3.39Å; L18-Q20 VanDerWaalsContact C-N 3.32Å; L18-Q20 PolarHBondContact O-N 3.24Å; L18-M21 PolarHBondContact O-N 3.2Å; L18-Y22 VanDerWaalsContact O-CB 3.29Å; L18-Y22 WeakPolarHBondContact O-CB 3.18Å; L18-Y22 PolarHBondContact O-N 3.27Å; L18-D191 HydrophobicContact CD2-CB 4.09Å; L18-P194 HydrophobicContact CD1-CB 4.41Å; L18-L195 HydrophobicContact CB-CD2 4.19Å
19E90.3Very high84.6Confident40 Ų4072.4 Ų72.419%0.18736%0.364CS..Hα-helixtrans-59.2-46.6175.5-175-162.3152.200110.4V15 S17 M21 Y22 R23 K31 N200V15-E19 HydrophobicContact CG2-CB 3.83Å; S17-E19 VanDerWaalsContact C-N 3.32Å; S17-E19 PolarHBondContact O-N 3.04Å; E19-M21 PolarHBondContact O-N 3.23Å; E19-Y22 PolarHBondContact O-N 3.16Å; E19-R23 HydrophobicContact CG-CG 4.44Å; E19-R23 WeakPolarHBondContact O-CB 3.24Å; E19-R23 WeakPolarHBondContact O-CG 3.41Å; E19-R23 PolarHBondContact O-N 3.38Å; E19-R23 IonicContact OE1-NH1 3.87Å; E19-K31 WeakPolarHBondContact OE1-CE 3.21Å; E19-K31 IonicContact OE1-NZ 2.73Å; E19-K31 PolarHBondContact OE1-NZ 2.56Å; E19-N200 HydrophobicContact CB-CB 4.45Å; E19-N200 HydrophobicContact CG-CB 4.15Å
20Q89.4Confident85.7Confident140 Ų14065.9 Ų65.965%0.65433%0.333SS*.Hα-helixtrans-65-41.6-179.1-63.6179.94.500111.1S17 L18 R23 F24S17-Q20 PolarHBondContact O-N 3.32Å; L18-Q20 VanDerWaalsContact C-N 3.32Å; L18-Q20 PolarHBondContact O-N 3.24Å; Q20-R23 PolarHBondContact O-N 3.5Å; Q20-F24 VanDerWaalsContact O-CB 3.31Å; Q20-F24 WeakPolarHBondContact O-CB 3.19Å; Q20-F24 PolarHBondContact O-N 3.2Å
21M91.5Very high86.9Confident85 Ų8567.2 Ų67.242%0.41934%0.335SS..Hα-helixtrans-64-43.8175.5-70.5177.16200112.3S17 L18 E19 F24 R25S17-M21 WeakPolarHBondContact O-CG 3.36Å; S17-M21 PolarHBondContact O-N 3.19Å; L18-M21 PolarHBondContact O-N 3.2Å; E19-M21 PolarHBondContact O-N 3.23Å; M21-F24 PolarHBondContact O-N 3.3Å; M21-R25 PolarHBondContact O-N 2.81Å; M21-R25 VanDerWaalsContact O-N 3.15Å
22Y94.3Very high87.9Confident3 Ų368.9 Ų68.91%0.01234%0.335CS..Hα-helixtrans-58.9-49.1175.7176.1-99.1000110.7L18 E19 F24 R25 L26 V36 H176 Q184 L195 I201 Y202L18-Y22 VanDerWaalsContact O-CB 3.29Å; L18-Y22 WeakPolarHBondContact O-CB 3.18Å; L18-Y22 PolarHBondContact O-N 3.27Å; E19-Y22 PolarHBondContact O-N 3.16Å; Y22-F24 PolarHBondContact O-N 3.31Å; Y22-R25 PolarHBondContact O-N 2.88Å; Y22-L26 HydrophobicContact CD1-CD1 3.84Å; Y22-L26 HydrophobicContact CE1-CD1 3.3Å; Y22-L26 HydrophobicContact CE1-CG 4.07Å; Y22-L26 PolarHBondContact O-N 2.98Å; Y22-V36 HydrophobicContact CE1-CG1 4Å; Y22-H176 AromaticContact CE2-CD2 3.72Å; Y22-H176 AromaticContact CE2-NE2 3.76Å; Y22-H176 AromaticContact CZ-NE2 3.71Å; Y22-H176 PolarHBondContact OH-CD2 3.06Å; Y22-H176 PolarHBondContact OH-NE2 3.44Å; Y22-Q184 HydrophobicContact CD2-CG 4.05Å; Y22-Q184 HydrophobicContact CE2-CG 3.77Å; Y22-Q184 PolarHBondContact O-NE2 3.15Å; Y22-L195 HydrophobicContact CD2-CD1 3.75Å; Y22-L195 HydrophobicContact CG-CD1 3.99Å; Y22-L195 HydrophobicContact CG-CD2 4.4Å; Y22-I201 HydrophobicContact CE1-CB 4.49Å; Y22-I201 HydrophobicContact CE1-CG1 4.06Å; Y22-I201 HydrophobicContact CE2-CD1 4.37Å; Y22-I201 HydrophobicContact CE2-CG1 3.79Å; Y22-I201 VanDerWaalsContact CZ-CG1 3.46Å; Y22-I201 VanDerWaalsContact OH-CG1 3.25Å; Y22-I201 WeakPolarHBondContact OH-CG1 3.37Å; Y22-Y202 WeakPolarHBondContact OH-CB 3.36Å; Y22-Y202 PolarHBondContact OH-N 3.19Å
23R91.6Very high88.8Confident73 Ų7371.5 Ų71.528%0.27536%0.357SS..Hα-helixtrans-62.5-39.8178-72178.464.3-157.8-5.6113.1E19 Q20 R25 L26 S29 V36E19-R23 HydrophobicContact CG-CG 4.44Å; E19-R23 WeakPolarHBondContact O-CB 3.24Å; E19-R23 WeakPolarHBondContact O-CG 3.41Å; E19-R23 PolarHBondContact O-N 3.38Å; E19-R23 IonicContact OE1-NH1 3.87Å; Q20-R23 PolarHBondContact O-N 3.5Å; R23-R25 VanDerWaalsContact C-N 3.29Å; R23-R25 PolarHBondContact O-N 2.96Å; R23-L26 PolarHBondContact O-N 3.02Å; R23-S29 PolarHBondContact O-OG 3.37Å; R23-V36 HydrophobicContact CG-CB 4.49Å; R23-V36 HydrophobicContact CG-CG2 3.88Å
24F91.1Very high89.7Confident183 Ų18373.6 Ų73.680%0.80339%0.386SS*.Hα-helixtrans-62.9-36.9178.3179.1-98.1000112.1Q20 M21 Y22Q20-F24 VanDerWaalsContact O-CB 3.31Å; Q20-F24 WeakPolarHBondContact O-CB 3.19Å; Q20-F24 PolarHBondContact O-N 3.2Å; M21-F24 PolarHBondContact O-N 3.3Å; Y22-F24 PolarHBondContact O-N 3.31Å
25R93.4Very high90.7Very high100 Ų10069.8 Ų69.838%0.37737%0.367SS..Hα-helixtrans-76.8-23.2178.3-73.9-179.9-176.4173.71.1113.7M21 Y22 R23 P27 Q184M21-R25 PolarHBondContact O-N 2.81Å; M21-R25 VanDerWaalsContact O-N 3.15Å; Y22-R25 PolarHBondContact O-N 2.88Å; R23-R25 VanDerWaalsContact C-N 3.29Å; R23-R25 PolarHBondContact O-N 2.96Å; R25-P27 VanDerWaalsContact O-CD 3.24Å; R25-P27 WeakPolarHBondContact O-CD 3.27Å; R25-Q184 VanDerWaalsContact CB-NE2 3.32Å
26L92.8Very high91.4Very high4 Ų469.7 Ų69.72%0.02137%0.366CS..SBendtrans-68.1117176.3-79.9170.4000110.9Y22 R23 R28 S29 V36 P38 L182Y22-L26 HydrophobicContact CD1-CD1 3.84Å; Y22-L26 HydrophobicContact CE1-CD1 3.3Å; Y22-L26 HydrophobicContact CE1-CG 4.07Å; Y22-L26 PolarHBondContact O-N 2.98Å; R23-L26 PolarHBondContact O-N 3.02Å; L26-R28 PolarHBondContact O-N 3.39Å; L26-S29 VanDerWaalsContact CB-CB 3.5Å; L26-S29 WeakPolarHBondContact O-CB 3.22Å; L26-S29 PolarHBondContact O-N 2.96Å; L26-S29 VanDerWaalsContact O-N 3.16Å; L26-V36 HydrophobicContact CD1-CG1 4.3Å; L26-V36 HydrophobicContact CD1-CG2 3.44Å; L26-V36 VanDerWaalsContact CD1-CG2 3.44Å; L26-P38 HydrophobicContact CD2-CB 4.28Å; L26-L182 HydrophobicContact CD2-CB 4.25Å; L26-L182 HydrophobicContact CD2-CD2 3.75Å; L26-L182 VanDerWaalsContact CD2-O 3.23Å; L26-L182 WeakPolarHBondContact CD2-O 3.48Å
27P91.5Very high92.1Very high42 Ų4266.9 Ų66.927%0.27334%0.338SS..THydrogen-bonded Turntrans-59.4123.8-177.9-25.935.9000112.9R25 S29 G39 V40 F181R25-P27 VanDerWaalsContact O-CD 3.24Å; R25-P27 WeakPolarHBondContact O-CD 3.27Å; P27-S29 PolarHBondContact O-N 3.06Å; P27-G39 PolarHBondContact O-N 3.22Å; P27-V40 HydrophobicContact CB-CG1 3.65Å; P27-V40 HydrophobicContact CB-CG2 4.04Å; P27-F181 WeakPolarHBondContact CD-O 3.41Å
28R91.7Very high92.4Very high201 Ų20163.2 Ų63.276%0.75831%0.312SS*.THydrogen-bonded Turntrans52.235.4-178.2-60.9-174.1172.4-178.5-3.4113L26 G39 V40L26-R28 PolarHBondContact O-N 3.39Å; R28-G39 WeakPolarHBondContact O-CA 3.41Å; R28-G39 PolarHBondContact O-N 2.99Å; R28-V40 HydrophobicContact CB-CG1 4.37Å; R28-V40 HydrophobicContact CG-CG1 4.22Å
29S93.6Very high92.5Very high40 Ų4061.6 Ų61.628%0.2830%0.304SS..  trans-60.3146.5-175.1700000113.1R23 L26 P27 W37R23-S29 PolarHBondContact O-OG 3.37Å; L26-S29 VanDerWaalsContact CB-CB 3.5Å; L26-S29 WeakPolarHBondContact O-CB 3.22Å; L26-S29 PolarHBondContact O-N 2.96Å; L26-S29 VanDerWaalsContact O-N 3.16Å; P27-S29 PolarHBondContact O-N 3.06Å; S29-W37 VanDerWaalsContact CA-O 3.27Å; S29-W37 WeakPolarHBondContact CA-O 3.42Å
30F92.8Very high92.4Very high43 Ų4361.2 Ų61.219%0.18931%0.305CS..EExtended strand (participates in β ladder)trans-140159172.765.1-83.9000110.2W37 V42 V44F30-W37 HydrophobicContact CD1-CB 4.13Å; F30-W37 HydrophobicContact CD2-CB 4.36Å; F30-W37 HydrophobicContact CE1-CB 3.61Å; F30-W37 HydrophobicContact CE2-CB 3.88Å; F30-W37 AromaticContact CE2-CD1 3.86Å; F30-W37 HydrophobicContact CE2-CG 4.07Å; F30-W37 HydrophobicContact CG-CB 4.48Å; F30-W37 HydrophobicContact CZ-CB 3.48Å; F30-W37 VanDerWaalsContact CZ-CB 3.48Å; F30-W37 AromaticContact CZ-CG 3.98Å; F30-W37 HydrophobicContact CZ-CG 3.98Å; F30-W37 PolarHBondContact N-O 2.86Å; F30-W37 PolarHBondContact O-N 3.44Å; F30-V42 WeakPolarHBondContact CE1-O 3.38Å; F30-V42 HydrophobicContact CZ-CB 4.5Å; F30-V42 HydrophobicContact CZ-CG1 4.26Å; F30-V44 HydrophobicContact CD2-CG2 3.73Å; F30-V44 HydrophobicContact CE2-CG2 3.53Å; F30-V44 HydrophobicContact CZ-CG2 4.33Å
31K92.1Very high92.4Very high105 Ų10554.5 Ų54.546%0.45727%0.273SS..EExtended strand (participates in β ladder)trans-99.1133.5170.1-82.1-171.2166.1-177.20109.1E19 Y35E19-K31 WeakPolarHBondContact OE1-CE 3.21Å; E19-K31 IonicContact OE1-NZ 2.73Å; E19-K31 PolarHBondContact OE1-NZ 2.56Å; K31-Y35 CarbonylContact C-O 3.6Å; K31-Y35 VanDerWaalsContact CA-O 3.27Å; K31-Y35 WeakPolarHBondContact CA-O 3.19Å
32Y93.6Very high92.5Very high55 Ų5550.5 Ų50.522%0.21625%0.253CS..EExtended strand (participates in β ladder)trans-147.8129.8174.2179.8-99.7000109.6G34 Y35 W37 V44 M47 L146Y32-G34 PolarHBondContact O-N 2.85Å; Y32-Y35 PolarHBondContact N-O 3.24Å; Y32-Y35 PolarHBondContact O-N 3.25Å; Y32-W37 PolarHBondContact O-NE1 2.95Å; Y32-V44 HydrophobicContact CD2-CG1 3.96Å; Y32-V44 HydrophobicContact CD2-CG2 4.04Å; Y32-V44 HydrophobicContact CE2-CG1 3.81Å; Y32-V44 HydrophobicContact CG-CG2 4.49Å; Y32-M47 HydrophobicContact CD1-CB 4.28Å; Y32-M47 HydrophobicContact CD1-CG 4.36Å; Y32-M47 HydrophobicContact CE1-CB 3.79Å; Y32-M47 HydrophobicContact CE1-CG 4.33Å; Y32-L146 HydrophobicContact CD1-CD2 4.12Å; Y32-L146 HydrophobicContact CE1-CD2 3.63Å
33A92.5Very high92.5Very high58 Ų5850.8 Ų50.848%0.47926%0.256SS..THydrogen-bonded Turntrans49.836.2-175.300000114.6Y35 L146A33-Y35 VanDerWaalsContact C-N 3.3Å; A33-Y35 WeakPolarHBondContact O-CD2 3.3Å; A33-Y35 WeakPolarHBondContact O-CE2 3.35Å; A33-Y35 PolarHBondContact O-N 2.6Å; A33-L146 HydrophobicContact CB-CD1 4.21Å; A33-L146 HydrophobicContact CB-CD2 3.62Å; A33-L146 HydrophobicContact CB-CG 4.18Å
34G91.8Very high92.5Very high74 Ų7449.6 Ų49.676%0.76326%0.257SS*.THydrogen-bonded Turntrans86.1-11.5-178.500000115.2Y32Y32-G34 PolarHBondContact O-N 2.85Å
35Y94.3Very high92.6Very high33 Ų3346.6 Ų46.613%0.12925%0.249CC..EExtended strand (participates in β ladder)trans-97.6151-178.7-63.9-87.2000112.4K31 Y32 A33 W37 P143 E145 L146K31-Y35 CarbonylContact C-O 3.6Å; K31-Y35 VanDerWaalsContact CA-O 3.27Å; K31-Y35 WeakPolarHBondContact CA-O 3.19Å; Y32-Y35 PolarHBondContact N-O 3.24Å; Y32-Y35 PolarHBondContact O-N 3.25Å; A33-Y35 VanDerWaalsContact C-N 3.3Å; A33-Y35 WeakPolarHBondContact O-CD2 3.3Å; A33-Y35 WeakPolarHBondContact O-CE2 3.35Å; A33-Y35 PolarHBondContact O-N 2.6Å; Y35-W37 HydrophobicContact CG-CZ2 4.26Å; Y35-P143 HydrophobicContact CD1-CG 3.71Å; Y35-P143 HydrophobicContact CD2-CG 4.11Å; Y35-P143 HydrophobicContact CE1-CB 3.89Å; Y35-P143 HydrophobicContact CE1-CG 3.28Å; Y35-P143 HydrophobicContact CE2-CB 3.88Å; Y35-P143 HydrophobicContact CE2-CG 3.76Å; Y35-P143 HydrophobicContact CG-CG 4.1Å; Y35-P143 VanDerWaalsContact CZ-CB 3.44Å; Y35-P143 WeakPolarHBondContact OH-CB 3.33Å; Y35-E145 HydrophobicContact CE2-CG 4.13Å; Y35-E145 WeakPolarHBondContact CE2-OE1 3.39Å; Y35-E145 VanDerWaalsContact CZ-OE1 3.23Å; Y35-E145 PolarHBondContact OH-OE1 3.31Å; Y35-E145 PolarHBondContact OH-OE2 3.44Å; Y35-L146 HydrophobicContact CD2-CD1 3.79Å; Y35-L146 HydrophobicContact CE2-CD1 4.25Å
36V92.9Very high92.7Very high11 Ų1143 Ų437%0.06724%0.236CC..EExtended strand (participates in β ladder)trans-92.1130.5168.861.70000110.4Y22 R23 L26Y22-V36 HydrophobicContact CE1-CG1 4Å; R23-V36 HydrophobicContact CG-CB 4.49Å; R23-V36 HydrophobicContact CG-CG2 3.88Å; L26-V36 HydrophobicContact CD1-CG1 4.3Å; L26-V36 HydrophobicContact CD1-CG2 3.44Å; L26-V36 VanDerWaalsContact CD1-CG2 3.44Å
37W94.7Very high92.7Very high0 Ų043.2 Ų43.20%024%0.236CC..EExtended strand (participates in β ladder)trans-121.2138.9-178.2-62.796.5000111.9S29 F30 Y32 Y35 G39 V42 M47 L142 L146 Y202S29-W37 VanDerWaalsContact CA-O 3.27Å; S29-W37 WeakPolarHBondContact CA-O 3.42Å; F30-W37 HydrophobicContact CD1-CB 4.13Å; F30-W37 HydrophobicContact CD2-CB 4.36Å; F30-W37 HydrophobicContact CE1-CB 3.61Å; F30-W37 HydrophobicContact CE2-CB 3.88Å; F30-W37 AromaticContact CE2-CD1 3.86Å; F30-W37 HydrophobicContact CE2-CG 4.07Å; F30-W37 HydrophobicContact CG-CB 4.48Å; F30-W37 HydrophobicContact CZ-CB 3.48Å; F30-W37 VanDerWaalsContact CZ-CB 3.48Å; F30-W37 AromaticContact CZ-CG 3.98Å; F30-W37 HydrophobicContact CZ-CG 3.98Å; F30-W37 PolarHBondContact N-O 2.86Å; F30-W37 PolarHBondContact O-N 3.44Å; Y32-W37 PolarHBondContact O-NE1 2.95Å; Y35-W37 HydrophobicContact CG-CZ2 4.26Å; W37-G39 PolarHBondContact O-N 3.06Å; W37-V42 HydrophobicContact CD2-CG1 4.4Å; W37-V42 HydrophobicContact CE3-CB 4.32Å; W37-V42 HydrophobicContact CE3-CG1 4.1Å; W37-V42 HydrophobicContact CE3-CG2 4.07Å; W37-M47 HydrophobicContact CH2-CE 4.4Å; W37-M47 HydrophobicContact CZ2-CE 4.16Å; W37-L142 HydrophobicContact CH2-CD2 3.55Å; W37-L142 HydrophobicContact CZ2-CD2 4.29Å; W37-L142 HydrophobicContact CZ3-CD2 4.1Å; W37-L146 HydrophobicContact CH2-CD1 4.42Å; W37-L146 HydrophobicContact CZ2-CD1 3.53Å; W37-Y202 HydrophobicContact CE3-CD2 4.33Å; W37-Y202 AromaticContact CE3-CE2 3.84Å; W37-Y202 HydrophobicContact CE3-CE2 3.84Å; W37-Y202 AromaticContact CZ3-CE2 3.83Å; W37-Y202 HydrophobicContact CZ3-CE2 3.83Å
38P93.9Very high92.7Very high0 Ų045.9 Ų45.90%025%0.245CC..  trans-73.6105.2169.127-30.5000110.4L26 V40 T41 V42 F181 L182 Y202L26-P38 HydrophobicContact CD2-CB 4.28Å; P38-V40 PolarHBondContact O-N 3.06Å; P38-T41 WeakPolarHBondContact CG-OG1 3.43Å; P38-T41 PolarHBondContact O-N 3.15Å; P38-T41 PolarHBondContact O-OG1 3.01Å; P38-V42 PolarHBondContact O-N 3.36Å; P38-F181 HydrophobicContact CB-CD2 3.86Å; P38-F181 VanDerWaalsContact CB-O 3.24Å; P38-F181 WeakPolarHBondContact CB-O 3.44Å; P38-F181 HydrophobicContact CG-CD2 3.71Å; P38-F181 HydrophobicContact CG-CE2 4.03Å; P38-L182 HydrophobicContact CB-CD2 4.46Å; P38-L182 HydrophobicContact CG-CD2 4.24Å; P38-Y202 VanDerWaalsContact CD-CD2 3.48Å; P38-Y202 HydrophobicContact CG-CD2 4.09Å; P38-Y202 HydrophobicContact CG-CE2 4.08Å
39G92Very high92.8Very high3 Ų342 Ų423%0.03123%0.232CC..THydrogen-bonded Turntrans-70.7-3.1-173.800000115.6P27 R28 W37 V42 Y104P27-G39 PolarHBondContact O-N 3.22Å; R28-G39 WeakPolarHBondContact O-CA 3.41Å; R28-G39 PolarHBondContact O-N 2.99Å; W37-G39 PolarHBondContact O-N 3.06Å; G39-V42 CarbonylContact C-O 3.54Å; G39-V42 WeakPolarHBondContact CA-O 3.41Å; G39-Y104 WeakPolarHBondContact O-CE2 3.39Å; G39-Y104 VanDerWaalsContact O-CZ 3.23Å; G39-Y104 PolarHBondContact O-OH 3.37Å
40V89.7Confident92.8Very high32 Ų3240.2 Ų40.219%0.19422%0.219CC..THydrogen-bonded Turntrans-82.1-14.8169-65.40000113.1P27 R28 P38 Y104 W106 F181P27-V40 HydrophobicContact CB-CG1 3.65Å; P27-V40 HydrophobicContact CB-CG2 4.04Å; R28-V40 HydrophobicContact CB-CG1 4.37Å; R28-V40 HydrophobicContact CG-CG1 4.22Å; P38-V40 PolarHBondContact O-N 3.06Å; V40-Y104 WeakPolarHBondContact O-CD2 3.47Å; V40-Y104 WeakPolarHBondContact O-CE2 3.3Å; V40-W106 VanDerWaalsContact O-CZ2 3.22Å; V40-W106 WeakPolarHBondContact O-CZ2 3.47Å; V40-W106 PolarHBondContact O-NE1 2.87Å; V40-F181 HydrophobicContact CG2-CB 3.54Å
41T89.8Confident92.7Very high0 Ų042.3 Ų42.30%023%0.232CC..THydrogen-bonded Turntrans-121.4-26.9179.348.80000113.9P38 W97 M100 E101 W106 F181 L280P38-T41 WeakPolarHBondContact CG-OG1 3.43Å; P38-T41 PolarHBondContact O-N 3.15Å; P38-T41 PolarHBondContact O-OG1 3.01Å; T41-W97 HydrophobicContact CG2-CH2 4.3Å; T41-W97 HydrophobicContact CG2-CZ3 3.95Å; T41-M100 CarbonylContact O-C 3.56Å; T41-M100 WeakPolarHBondContact O-CA 3.46Å; T41-E101 PolarHBondContact O-N 3.22Å; T41-W106 HydrophobicContact CG2-CH2 4.4Å; T41-W106 HydrophobicContact CG2-CZ2 4.06Å; T41-F181 HydrophobicContact CG2-CB 3.67Å; T41-F181 HydrophobicContact CG2-CD1 4.12Å; T41-F181 HydrophobicContact CG2-CD2 4.02Å; T41-F181 HydrophobicContact CG2-CG 3.7Å; T41-L280 HydrophobicContact CG2-CD2 4.17Å
42V92.4Very high92.7Very high0 Ų044.1 Ų44.10%025%0.247CC..  trans-123.1155.7179.5-1740000108.6F30 W37 P38 G39 M47 W97 E99 Y104F30-V42 WeakPolarHBondContact CE1-O 3.38Å; F30-V42 HydrophobicContact CZ-CB 4.5Å; F30-V42 HydrophobicContact CZ-CG1 4.26Å; W37-V42 HydrophobicContact CD2-CG1 4.4Å; W37-V42 HydrophobicContact CE3-CB 4.32Å; W37-V42 HydrophobicContact CE3-CG1 4.1Å; W37-V42 HydrophobicContact CE3-CG2 4.07Å; P38-V42 PolarHBondContact O-N 3.36Å; G39-V42 CarbonylContact C-O 3.54Å; G39-V42 WeakPolarHBondContact CA-O 3.41Å; V42-M47 HydrophobicContact CG1-CG 3.93Å; V42-M47 HydrophobicContact CG1-SD 3.93Å; V42-W97 HydrophobicContact CG2-CH2 4.42Å; V42-W97 HydrophobicContact CG2-CZ2 4.24Å; V42-E99 HydrophobicContact CG2-CG 4.44Å; V42-Y104 PolarHBondContact O-OH 3.48Å; V42-Y104 VanDerWaalsContact O-OH 3.04Å
43S93.4Very high92.7Very high10 Ų1042.6 Ų42.67%0.0724%0.241CC..  trans-137.4160174.375.80000109.6D45 R46 M47 E101 Y104S43-D45 VanDerWaalsContact C-N 3.34Å; S43-R46 PolarHBondContact O-N 3.34Å; S43-R46 WeakPolarHBondContact OG-CB 3.41Å; S43-R46 PolarHBondContact OG-N 3.34Å; S43-M47 VanDerWaalsContact O-CG 3.3Å; S43-M47 WeakPolarHBondContact O-CG 3.17Å; S43-M47 PolarHBondContact O-N 2.84Å; S43-E101 WeakPolarHBondContact CB-OE2 3.47Å; S43-E101 PolarHBondContact OG-OE2 3.49Å; S43-Y104 WeakPolarHBondContact CB-OH 3.42Å
44V93.2Very high92.9Very high48 Ų4846.9 Ų46.929%0.29125%0.251SS..Hα-helixtrans-62.5-45.7171.9176.20000110F30 Y32 R46 M47 E48F30-V44 HydrophobicContact CD2-CG2 3.73Å; F30-V44 HydrophobicContact CE2-CG2 3.53Å; F30-V44 HydrophobicContact CZ-CG2 4.33Å; Y32-V44 HydrophobicContact CD2-CG1 3.96Å; Y32-V44 HydrophobicContact CD2-CG2 4.04Å; Y32-V44 HydrophobicContact CE2-CG1 3.81Å; Y32-V44 HydrophobicContact CG-CG2 4.49Å; V44-R46 PolarHBondContact O-N 3.01Å; V44-M47 WeakPolarHBondContact O-CA 3.36Å; V44-M47 WeakPolarHBondContact O-CB 3.24Å; V44-M47 PolarHBondContact O-N 3.11Å; V44-E48 HydrophobicContact CG1-CG 4.22Å; V44-E48 PolarHBondContact O-N 3.22Å
45D93.5Very high93.1Very high119 Ų11943.4 Ų43.464%0.63622%0.215SC*.Hα-helixtrans-55.1-39.8178.1-59.1-14.3000112.2S43 E48 Y49S43-D45 VanDerWaalsContact C-N 3.34Å; D45-E48 PolarHBondContact O-N 2.95Å; D45-Y49 WeakPolarHBondContact O-CB 3.23Å; D45-Y49 PolarHBondContact O-N 2.9Å
46R93.9Very high93.2Very high26 Ų2646.6 Ų46.610%0.09823%0.227CC..Hα-helixtrans-64.6-45.1175.8-179.356.5178.7179.12.2111.2S43 V44 E48 Y49 L50 L98 E99 M100 E101S43-R46 PolarHBondContact O-N 3.34Å; S43-R46 WeakPolarHBondContact OG-CB 3.41Å; S43-R46 PolarHBondContact OG-N 3.34Å; V44-R46 PolarHBondContact O-N 3.01Å; R46-E48 VanDerWaalsContact C-N 3.34Å; R46-Y49 VanDerWaalsContact NH1-CD1 3.32Å; R46-Y49 VanDerWaalsContact NH1-CE1 3.29Å; R46-Y49 WeakPolarHBondContact O-CB 3.4Å; R46-Y49 PolarHBondContact O-N 3.22Å; R46-L50 WeakPolarHBondContact O-CG 3.35Å; R46-L50 PolarHBondContact O-N 2.93Å; R46-L98 VanDerWaalsContact CZ-O 3.29Å; R46-L98 PolarHBondContact NE-O 3.24Å; R46-L98 PolarHBondContact NH2-O 2.79Å; R46-E99 WeakPolarHBondContact CG-O 3.32Å; R46-M100 PolarHBondContact NE-O 3Å; R46-E101 HydrophobicContact CB-CB 4.48Å
47M92.6Very high93.5Very high7 Ų750.8 Ų50.83%0.03426%0.255CS..Hα-helixtrans-64.1-40.7179.2-64.7-60.9-7500111.5Y32 W37 V42 S43 V44 L50 E99 L142 L146Y32-M47 HydrophobicContact CD1-CB 4.28Å; Y32-M47 HydrophobicContact CD1-CG 4.36Å; Y32-M47 HydrophobicContact CE1-CB 3.79Å; Y32-M47 HydrophobicContact CE1-CG 4.33Å; W37-M47 HydrophobicContact CH2-CE 4.4Å; W37-M47 HydrophobicContact CZ2-CE 4.16Å; V42-M47 HydrophobicContact CG1-CG 3.93Å; V42-M47 HydrophobicContact CG1-SD 3.93Å; S43-M47 VanDerWaalsContact O-CG 3.3Å; S43-M47 WeakPolarHBondContact O-CG 3.17Å; S43-M47 PolarHBondContact O-N 2.84Å; V44-M47 WeakPolarHBondContact O-CA 3.36Å; V44-M47 WeakPolarHBondContact O-CB 3.24Å; V44-M47 PolarHBondContact O-N 3.11Å; M47-L50 PolarHBondContact O-N 2.93Å; M47-L50 HydrophobicContact SD-CD1 4.49Å; M47-E99 HydrophobicContact SD-CB 4.02Å; M47-L142 HydrophobicContact CE-CD1 4.25Å; M47-L142 HydrophobicContact CE-CD2 3.25Å; M47-L142 HydrophobicContact CE-CG 4.36Å; M47-L142 HydrophobicContact SD-CD2 3.76Å; M47-L146 HydrophobicContact CE-CB 3.94Å; M47-L146 HydrophobicContact CE-CD1 3.75Å; M47-L146 HydrophobicContact CE-CD2 4.11Å; M47-L146 HydrophobicContact CE-CG 4.16Å
48E92.6Very high93.6Very high98 Ų9853.7 Ų53.746%0.45828%0.275SS..Hα-helixtrans-68.3-40.5175.2-69.2-175.9175.500112V44 D45 R46 L50 N51V44-E48 HydrophobicContact CG1-CG 4.22Å; V44-E48 PolarHBondContact O-N 3.22Å; D45-E48 PolarHBondContact O-N 2.95Å; R46-E48 VanDerWaalsContact C-N 3.34Å; E48-L50 VanDerWaalsContact C-N 3.25Å; E48-L50 PolarHBondContact O-N 3.18Å; E48-N51 WeakPolarHBondContact O-CB 3.49Å; E48-N51 PolarHBondContact O-N 3.46Å; E48-N51 VanDerWaalsContact O-N 3.13Å
49Y92.8Very high93.8Very high121 Ų12153.7 Ų53.748%0.47528%0.275SS..Hα-helixtrans-58.4-37.8174.7172.3-96.3000112.1D45 R46 N51 N52 F53D45-Y49 WeakPolarHBondContact O-CB 3.23Å; D45-Y49 PolarHBondContact O-N 2.9Å; R46-Y49 VanDerWaalsContact NH1-CD1 3.32Å; R46-Y49 VanDerWaalsContact NH1-CE1 3.29Å; R46-Y49 WeakPolarHBondContact O-CB 3.4Å; R46-Y49 PolarHBondContact O-N 3.22Å; Y49-N51 PolarHBondContact O-N 3.19Å; Y49-N52 CarbonylContact O-C 3.46Å; Y49-N52 PolarHBondContact O-N 3.21Å; Y49-F53 AromaticContact CE1-CD2 3.61Å; Y49-F53 HydrophobicContact CE1-CD2 3.61Å; Y49-F53 HydrophobicContact CE1-CE2 4.31Å; Y49-F53 PolarHBondContact O-N 3.15Å; Y49-F53 VanDerWaalsContact O-N 3.16Å
50L94.4Very high94.1Very high1 Ų153.9 Ų53.91%0.00528%0.275CS..Hα-helixtrans-61-27178.4-72.8-178.6000113.3R46 M47 E48 N52 F53 L98 E99 L142 P148R46-L50 WeakPolarHBondContact O-CG 3.35Å; R46-L50 PolarHBondContact O-N 2.93Å; M47-L50 PolarHBondContact O-N 2.93Å; M47-L50 HydrophobicContact SD-CD1 4.49Å; E48-L50 VanDerWaalsContact C-N 3.25Å; E48-L50 PolarHBondContact O-N 3.18Å; L50-N52 PolarHBondContact O-N 3.24Å; L50-F53 HydrophobicContact CD2-CB 4.29Å; L50-F53 HydrophobicContact CD2-CG 4.45Å; L50-F53 WeakPolarHBondContact O-CB 3.47Å; L50-F53 PolarHBondContact O-N 3.39Å; L50-L98 HydrophobicContact CD1-CG 4.18Å; L50-L98 HydrophobicContact CD2-CD1 3.74Å; L50-L98 HydrophobicContact CD2-CG 3.81Å; L50-E99 HydrophobicContact CD1-CB 4.01Å; L50-L142 HydrophobicContact CD1-CD1 3.83Å; L50-P148 HydrophobicContact CB-CG 3.95Å; L50-P148 WeakPolarHBondContact O-CB 3.46Å; L50-P148 VanDerWaalsContact O-CG 3.27Å; L50-P148 WeakPolarHBondContact O-CG 3.49Å
51N90.6Very high94.5Very high88 Ų8852.4 Ų52.447%0.47127%0.266SS..Hα-helixtrans-63.4-27.3175-67.7-41.8000112.9E48 Y49E48-N51 WeakPolarHBondContact O-CB 3.49Å; E48-N51 PolarHBondContact O-N 3.46Å; E48-N51 VanDerWaalsContact O-N 3.13Å; Y49-N51 PolarHBondContact O-N 3.19Å
52N92.5Very high95Very high143 Ų14352.4 Ų52.477%0.76527%0.266SS*.THydrogen-bonded Turntrans-1077.1178.6-60.3-56.2000112.3Y49 L50 E54Y49-N52 CarbonylContact O-C 3.46Å; Y49-N52 PolarHBondContact O-N 3.21Å; L50-N52 PolarHBondContact O-N 3.24Å; N52-E54 PolarHBondContact O-N 3.16Å
53F94.2Very high95.3Very high22 Ų2252.4 Ų52.410%0.09627%0.266CS..  trans-66.9128.8-179.5-173.6-94.5000110.9Y49 L50 F55 W138Y49-F53 AromaticContact CE1-CD2 3.61Å; Y49-F53 HydrophobicContact CE1-CD2 3.61Å; Y49-F53 HydrophobicContact CE1-CE2 4.31Å; Y49-F53 PolarHBondContact O-N 3.15Å; Y49-F53 VanDerWaalsContact O-N 3.16Å; L50-F53 HydrophobicContact CD2-CB 4.29Å; L50-F53 HydrophobicContact CD2-CG 4.45Å; L50-F53 WeakPolarHBondContact O-CB 3.47Å; L50-F53 PolarHBondContact O-N 3.39Å; F53-F55 HydrophobicContact CB-CE2 4.02Å; F53-F55 HydrophobicContact CB-CZ 4.49Å; F53-F55 AromaticContact CD1-CD1 3.93Å; F53-F55 HydrophobicContact CD1-CD1 3.93Å; F53-F55 AromaticContact CD1-CD2 3.79Å; F53-F55 HydrophobicContact CD1-CD2 3.79Å; F53-F55 AromaticContact CD1-CE1 3.7Å; F53-F55 HydrophobicContact CD1-CE1 3.7Å; F53-F55 AromaticContact CD1-CE2 3.53Å; F53-F55 HydrophobicContact CD1-CE2 3.53Å; F53-F55 AromaticContact CD1-CG 3.97Å; F53-F55 HydrophobicContact CD1-CG 3.97Å; F53-F55 AromaticContact CD1-CZ 3.5Å; F53-F55 HydrophobicContact CD1-CZ 3.5Å; F53-F55 VanDerWaalsContact CD1-CZ 3.5Å; F53-F55 HydrophobicContact CE1-CD1 4.03Å; F53-F55 AromaticContact CE1-CE1 3.87Å; F53-F55 HydrophobicContact CE1-CE1 3.87Å; F53-F55 HydrophobicContact CE1-CE2 4.5Å; F53-F55 HydrophobicContact CE1-CG 4.41Å; F53-F55 HydrophobicContact CE1-CZ 4.13Å; F53-F55 HydrophobicContact CG-CE2 4.22Å; F53-F55 HydrophobicContact CG-CZ 4.33Å; F53-F55 WeakPolarHBondContact O-CD2 3.22Å; F53-F55 PolarHBondContact O-N 2.75Å; F53-W138 HydrophobicContact CE1-CZ2 4.48Å; F53-W138 HydrophobicContact CZ-CH2 4.29Å; F53-W138 AromaticContact CZ-CZ2 3.71Å; F53-W138 HydrophobicContact CZ-CZ2 3.71Å
54E95Very high95.5Very high148 Ų14851.9 Ų51.969%0.69226%0.263SS*.  trans-81.691.1-178.5-165.8-173.9172.300111.3N52 R136N52-E54 PolarHBondContact O-N 3.16Å; E54-R136 PolarHBondContact O-NH2 3.33Å
55F96.7Very high95.8Very high1 Ų149.6 Ų49.60%0.00425%0.249CC..  trans-71.7142.2166.8-65.5-82.4000111F53 D59 I61 L98 P148 P150 V151 K155F53-F55 HydrophobicContact CB-CE2 4.02Å; F53-F55 HydrophobicContact CB-CZ 4.49Å; F53-F55 AromaticContact CD1-CD1 3.93Å; F53-F55 HydrophobicContact CD1-CD1 3.93Å; F53-F55 AromaticContact CD1-CD2 3.79Å; F53-F55 HydrophobicContact CD1-CD2 3.79Å; F53-F55 AromaticContact CD1-CE1 3.7Å; F53-F55 HydrophobicContact CD1-CE1 3.7Å; F53-F55 AromaticContact CD1-CE2 3.53Å; F53-F55 HydrophobicContact CD1-CE2 3.53Å; F53-F55 AromaticContact CD1-CG 3.97Å; F53-F55 HydrophobicContact CD1-CG 3.97Å; F53-F55 AromaticContact CD1-CZ 3.5Å; F53-F55 HydrophobicContact CD1-CZ 3.5Å; F53-F55 VanDerWaalsContact CD1-CZ 3.5Å; F53-F55 HydrophobicContact CE1-CD1 4.03Å; F53-F55 AromaticContact CE1-CE1 3.87Å; F53-F55 HydrophobicContact CE1-CE1 3.87Å; F53-F55 HydrophobicContact CE1-CE2 4.5Å; F53-F55 HydrophobicContact CE1-CG 4.41Å; F53-F55 HydrophobicContact CE1-CZ 4.13Å; F53-F55 HydrophobicContact CG-CE2 4.22Å; F53-F55 HydrophobicContact CG-CZ 4.33Å; F53-F55 WeakPolarHBondContact O-CD2 3.22Å; F53-F55 PolarHBondContact O-N 2.75Å; F55-D59 VanDerWaalsContact CA-OD2 3.31Å; F55-D59 WeakPolarHBondContact CA-OD2 3.19Å; F55-I61 HydrophobicContact CD1-CD1 3.98Å; F55-I61 HydrophobicContact CE1-CD1 3.59Å; F55-I61 HydrophobicContact CE1-CG1 4.4Å; F55-I61 HydrophobicContact CZ-CD1 4.32Å; F55-L98 HydrophobicContact CE1-CD1 4.31Å; F55-L98 HydrophobicContact CE1-CD2 4.36Å; F55-L98 HydrophobicContact CZ-CD1 4.21Å; F55-L98 HydrophobicContact CZ-CD2 4.04Å; F55-P148 HydrophobicContact CD2-CB 4.39Å; F55-P148 HydrophobicContact CE2-CB 3.57Å; F55-P148 HydrophobicContact CE2-CG 3.71Å; F55-P148 HydrophobicContact CZ-CB 4.32Å; F55-P148 HydrophobicContact CZ-CG 4.02Å; F55-P150 HydrophobicContact CD2-CB 4.49Å; F55-V151 HydrophobicContact CD1-CG2 4.02Å; F55-V151 HydrophobicContact CD2-CG2 3.87Å; F55-V151 HydrophobicContact CE1-CG2 3.88Å; F55-V151 HydrophobicContact CE2-CG2 3.74Å; F55-V151 HydrophobicContact CG-CG2 4.01Å; F55-V151 HydrophobicContact CZ-CG2 3.74Å; F55-K155 HydrophobicContact CB-CD 4.31Å; F55-K155 WeakPolarHBondContact O-CE 3.33Å; F55-K155 PolarHBondContact O-NZ 3.3Å
56R97.3Very high96Very high100 Ų10044 Ų4438%0.37722%0.219SC..  trans-102.8154.6173.9-65.8164.2-172.2175.6-0.7110S58 D59 E134 R136 C156R56-S58 PolarHBondContact O-N 2.84Å; R56-D59 PolarHBondContact N-OD2 3.39Å; R56-D59 WeakPolarHBondContact O-CB 3.5Å; R56-D59 PolarHBondContact O-N 3.36Å; R56-E134 IonicContact NH1-OE1 3.5Å; R56-E134 PolarHBondContact NH1-OE1 3Å; R56-E134 IonicContact NH1-OE2 3.42Å; R56-R136 VanDerWaalsContact CG-NH2 3.32Å; R56-C156 VanDerWaalsContact O-CB 3.3Å; R56-C156 WeakPolarHBondContact O-CB 3.25Å
57P97.7Very high96.1Very high100 Ų10044.5 Ų44.565%0.64922%0.221SC*.THydrogen-bonded Turntrans-56.8-29.7173.8-26.335.8000115.1D59 K155P57-D59 VanDerWaalsContact C-N 3.33Å; P57-K155 VanDerWaalsContact CA-O 3.29Å; P57-K155 WeakPolarHBondContact CA-O 3.33Å
58S97.3Very high96.4Very high60 Ų6044.1 Ų44.142%0.4222%0.22SC..THydrogen-bonded Turntrans-81.2-7.9177.8590000114.3R56 P135R56-S58 PolarHBondContact O-N 2.84Å; S58-P135 WeakPolarHBondContact O-CB 3.47Å
59D98.2Very high96.5Very high0 Ų040 Ų400%020%0.204CC..  trans-67.5151-179.9-66.9-14.1000110.9F55 R56 P57 R136 C156 K157F55-D59 VanDerWaalsContact CA-OD2 3.31Å; F55-D59 WeakPolarHBondContact CA-OD2 3.19Å; R56-D59 PolarHBondContact N-OD2 3.39Å; R56-D59 WeakPolarHBondContact O-CB 3.5Å; R56-D59 PolarHBondContact O-N 3.36Å; P57-D59 VanDerWaalsContact C-N 3.33Å; D59-R136 WeakPolarHBondContact CA-O 3.2Å; D59-R136 WeakPolarHBondContact OD1-CB 3.2Å; D59-R136 IonicContact OD1-CZ 3.27Å; D59-R136 IonicContact OD1-NE 3.19Å; D59-R136 PolarHBondContact OD1-NE 2.66Å; D59-R136 IonicContact OD1-NH2 3.35Å; D59-R136 PolarHBondContact OD1-NH2 3.23Å; D59-R136 IonicContact OD2-CZ 2.75Å; D59-R136 IonicContact OD2-NE 2.68Å; D59-R136 IonicContact OD2-NH2 2.67Å; D59-R136 PolarHBondContact OD2-NH2 2.89Å; D59-C156 HydrophobicContact CB-CB 3.91Å; D59-C156 WeakPolarHBondContact O-CB 3.34Å; D59-K157 PolarHBondContact O-N 3.08Å
60I98.7Very high96.7Very high8 Ų834.9 Ų34.94%0.04119%0.185CC..EExtended strand (participates in β ladder)trans-125.7128.4173.6-60.6158.4000109.4V77 P135 R136 M137 W138 K157 V159 L246I60-V77 HydrophobicContact CD1-CG1 4.48Å; I60-V77 HydrophobicContact CG2-CG1 3.95Å; I60-P135 HydrophobicContact CD1-CB 4.48Å; I60-P135 HydrophobicContact CD1-CG 3.82Å; I60-R136 PolarHBondContact N-O 3.25Å; I60-M137 HydrophobicContact CB-CG 4.24Å; I60-M137 HydrophobicContact CD1-CE 3.8Å; I60-M137 CarbonylContact O-C 3.55Å; I60-M137 VanDerWaalsContact O-CA 3.25Å; I60-M137 WeakPolarHBondContact O-CA 3.42Å; I60-W138 PolarHBondContact O-N 3.16Å; I60-K157 WeakPolarHBondContact CA-O 3.08Å; I60-K157 HydrophobicContact CG1-CB 4.3Å; I60-V159 HydrophobicContact CG2-CG2 4.43Å; I60-L246 HydrophobicContact CD1-CD2 3.86Å; I60-L246 HydrophobicContact CG1-CD2 4.21Å; I60-L246 HydrophobicContact CG2-CD2 4.23Å
61I98.6Very high96.8Very high0 Ų035.9 Ų35.90%019%0.191CC..EExtended strand (participates in β ladder)trans-110.8121.1177.1-57175.7000109.1F55 L63 W138 V151 K157 V158 V159F55-I61 HydrophobicContact CD1-CD1 3.98Å; F55-I61 HydrophobicContact CE1-CD1 3.59Å; F55-I61 HydrophobicContact CE1-CG1 4.4Å; F55-I61 HydrophobicContact CZ-CD1 4.32Å; I61-L63 HydrophobicContact CG2-CB 4.39Å; I61-W138 CarbonylContact C-O 3.41Å; I61-W138 WeakPolarHBondContact CA-O 3.45Å; I61-V151 HydrophobicContact CD1-CB 4.13Å; I61-V151 HydrophobicContact CD1-CG1 3.61Å; I61-V151 HydrophobicContact CD1-CG2 3.34Å; I61-K157 PolarHBondContact N-O 3.18Å; I61-V158 HydrophobicContact CB-CG2 4.33Å; I61-V158 CarbonylContact O-C 3.53Å; I61-V158 VanDerWaalsContact O-CA 3.32Å; I61-V158 WeakPolarHBondContact O-CA 3.38Å; I61-V159 PolarHBondContact O-N 3.19Å
62I98.8Very high97.1Very high0 Ų033.1 Ų33.10%017%0.174CC..EExtended strand (participates in β ladder)trans-93.9110.6170.5-61.9129.3000108T70 V73 V77 V95 W138 F139 S140 V159 V161I62-T70 HydrophobicContact CG2-CG2 4Å; I62-V73 HydrophobicContact CG2-CB 4.33Å; I62-V73 HydrophobicContact CG2-CG1 4.12Å; I62-V77 HydrophobicContact CD1-CB 4.34Å; I62-V77 HydrophobicContact CD1-CG1 4.39Å; I62-V95 HydrophobicContact CD1-CG1 3.63Å; I62-V95 HydrophobicContact CD1-CG2 4.22Å; I62-W138 PolarHBondContact N-O 3.14Å; I62-F139 HydrophobicContact CB-CB 4.38Å; I62-F139 CarbonylContact O-C 3.55Å; I62-F139 WeakPolarHBondContact O-CA 3.41Å; I62-F139 WeakPolarHBondContact O-CB 3.34Å; I62-S140 PolarHBondContact O-N 2.71Å; I62-V159 WeakPolarHBondContact CA-O 3.36Å; I62-V161 HydrophobicContact CG2-CG2 4.06Å
63L98.6Very high97.3Very high0 Ų026.3 Ų26.30%014%0.138CC..EExtended strand (participates in β ladder)trans-117.4138.9-169-171.860000109.7I61 S140 M147 V158 V159 Y160 V161 Y213I61-L63 HydrophobicContact CG2-CB 4.39Å; L63-S140 WeakPolarHBondContact CD1-O 3.27Å; L63-M147 HydrophobicContact CD1-CE 3.35Å; L63-M147 HydrophobicContact CD2-CE 3.83Å; L63-M147 HydrophobicContact CG-CE 4.26Å; L63-V158 HydrophobicContact CB-CG1 3.92Å; L63-V158 HydrophobicContact CD2-CG1 3.96Å; L63-V159 PolarHBondContact N-O 2.87Å; L63-Y160 HydrophobicContact CB-CD2 3.93Å; L63-Y160 HydrophobicContact CD2-CD2 3.95Å; L63-Y160 HydrophobicContact CD2-CE2 4.43Å; L63-Y160 HydrophobicContact CG-CD2 3.73Å; L63-Y160 HydrophobicContact CG-CE2 4.02Å; L63-Y160 CarbonylContact O-C 3.52Å; L63-Y160 VanDerWaalsContact O-CA 3.23Å; L63-Y160 WeakPolarHBondContact O-CA 3.12Å; L63-V161 PolarHBondContact O-N 3.16Å; L63-Y213 HydrophobicContact CD2-CD1 3.68Å; L63-Y213 HydrophobicContact CD2-CD2 4.41Å; L63-Y213 HydrophobicContact CD2-CE1 3.2Å; L63-Y213 HydrophobicContact CD2-CE2 4Å; L63-Y213 HydrophobicContact CD2-CG 4.27Å; L63-Y213 HydrophobicContact CG-CE1 4.33Å; L63-Y213 HydrophobicContact CG-CE2 4.32Å
64S98.7Very high97.5Very high0 Ų025.4 Ų25.40%013%0.134CC..EExtended strand (participates in β ladder)trans-163159.5174.973.90000110.9T70 S140 H141 V161 H209S64-T70 PolarHBondContact OG-OG1 2.75Å; S64-S140 PolarHBondContact N-O 3.42Å; S64-H141 WeakPolarHBondContact O-CA 3.42Å; S64-H141 PolarHBondContact O-ND1 3.46Å; S64-V161 WeakPolarHBondContact CA-O 3.39Å; S64-V161 WeakPolarHBondContact CB-O 3.19Å; S64-H209 VanDerWaalsContact C-CE1 3.46Å
65Y98.5Very high97.6Very high0 Ų018.8 Ų18.80%010%0.103CC..SBendtrans-59.5147.8155.7-165.6-97.7000109K67 S68 T168 Y172 Y196 C203 G204 W206 H209Y65-K67 PolarHBondContact O-N 2.88Å; Y65-S68 PolarHBondContact O-N 2.79Å; Y65-S68 PolarHBondContact O-OG 3.24Å; Y65-T168 HydrophobicContact CD1-CG2 3.86Å; Y65-T168 HydrophobicContact CE1-CG2 4.32Å; Y65-Y172 AromaticContact CE1-CD1 3.78Å; Y65-Y172 HydrophobicContact CE1-CD1 3.78Å; Y65-Y172 AromaticContact CE1-CE1 3.64Å; Y65-Y172 HydrophobicContact CE1-CE1 3.64Å; Y65-Y172 AromaticContact CZ-CE1 3.83Å; Y65-Y172 WeakPolarHBondContact OH-CE1 3.35Å; Y65-Y196 AromaticContact CE1-CE2 3.92Å; Y65-Y196 HydrophobicContact CE1-CE2 3.92Å; Y65-C203 HydrophobicContact CE2-CB 4.27Å; Y65-G204 WeakPolarHBondContact CE2-O 3.29Å; Y65-G204 PolarHBondContact OH-O 2.64Å; Y65-W206 HydrophobicContact CD1-CB 4.31Å; Y65-W206 AromaticContact CD1-CD1 3.65Å; Y65-W206 HydrophobicContact CD1-CG 4.38Å; Y65-W206 HydrophobicContact CD2-CB 4.43Å; Y65-W206 HydrophobicContact CE1-CB 4.14Å; Y65-W206 HydrophobicContact CE2-CB 4.25Å; Y65-W206 HydrophobicContact CG-CB 4.43Å; Y65-W206 AromaticContact CG-CD1 3.87Å; Y65-W206 HydrophobicContact CG-CG 4.48Å; Y65-H209 HydrophobicContact CD2-CB 3.67Å; Y65-H209 AromaticContact CD2-CD2 3.88Å; Y65-H209 AromaticContact CD2-CG 3.72Å; Y65-H209 HydrophobicContact CE2-CB 4.38Å; Y65-H209 PolarHBondContact N-CE1 3.15Å
66P97.7Very high97.7Very high1 Ų118.8 Ų18.81%0.00610%0.103CC..THydrogen-bonded Turntrans-52.3138.3177.7-30.737.6000112.2S68 H141 Y172 Y202 C203P66-S68 VanDerWaalsContact C-N 3.32Å; P66-S68 PolarHBondContact O-N 2.78Å; P66-H141 HydrophobicContact CG-CB 3.95Å; P66-Y172 HydrophobicContact CB-CD2 4.03Å; P66-Y172 HydrophobicContact CB-CE1 4.32Å; P66-Y172 HydrophobicContact CB-CE2 3.48Å; P66-Y172 VanDerWaalsContact CB-CE2 3.48Å; P66-Y172 HydrophobicContact CG-CE2 4.16Å; P66-Y202 HydrophobicContact CG-CE1 4.27Å; P66-C203 HydrophobicContact CG-CB 3.71Å
67K97Very high97.7Very high36 Ų3614 Ų1416%0.1579%0.085CC..THydrogen-bonded Turntrans66.623.5175.3-52.5-58.4-64.4-173.80116.3Y65 S171 Y172 F175 F288Y65-K67 PolarHBondContact O-N 2.88Å; K67-S171 WeakPolarHBondContact CE-OG 3.28Å; K67-Y172 HydrophobicContact CG-CD2 3.88Å; K67-Y172 HydrophobicContact CG-CG 4.4Å; K67-F175 HydrophobicContact CD-CB 3.69Å; K67-F175 HydrophobicContact CD-CD1 4.26Å; K67-F175 HydrophobicContact CD-CD2 3.85Å; K67-F175 HydrophobicContact CD-CG 3.67Å; K67-F175 HydrophobicContact CG-CB 3.8Å; K67-F175 HydrophobicContact CG-CD1 4.34Å; K67-F175 HydrophobicContact CG-CG 4.05Å; K67-F288 PolarHBondContact NZ-O 3.1Å
68S97.9Very high97.7Very high0 Ų09.2 Ų9.20%05%0.054CC..SBendtrans-90.59.7171.9-55.20000115.5Y65 P66 V161Y65-S68 PolarHBondContact O-N 2.79Å; Y65-S68 PolarHBondContact O-OG 3.24Å; P66-S68 VanDerWaalsContact C-N 3.32Å; P66-S68 PolarHBondContact O-N 2.78Å; S68-V161 WeakPolarHBondContact O-CG1 3.34Å
69G95.9Very high97.7Very high12 Ų127.4 Ų7.412%0.1244%0.039CC..SBendtrans106.215.4-179.100000115.4T71 W72 V73G69-T71 PolarHBondContact O-N 2.9Å; G69-W72 WeakPolarHBondContact O-CB 3.01Å; G69-W72 PolarHBondContact O-N 3.43Å; G69-V73 PolarHBondContact O-N 3.1Å; G69-V73 VanDerWaalsContact O-N 3.16Å
70T96.8Very high97.6Very high12 Ų128 Ų87%0.0744%0.042CC..Hα-helixtrans-48.2-52.2179.6-28.40000112.4I62 S64 W72 V73 S74 F139 H141I62-T70 HydrophobicContact CG2-CG2 4Å; S64-T70 PolarHBondContact OG-OG1 2.75Å; T70-W72 PolarHBondContact O-N 3.49Å; T70-V73 PolarHBondContact O-N 3.34Å; T70-S74 VanDerWaalsContact O-CB 3.31Å; T70-S74 WeakPolarHBondContact O-CB 3.39Å; T70-S74 PolarHBondContact O-N 2.96Å; T70-S74 PolarHBondContact O-OG 2.98Å; T70-F139 HydrophobicContact CG2-CB 3.95Å; T70-F139 HydrophobicContact CG2-CD2 4.14Å; T70-F139 HydrophobicContact CG2-CG 4.28Å; T70-H141 PolarHBondContact OG1-CE1 3.36Å
71T95.4Very high97.5Very high22 Ų228.8 Ų8.814%0.1355%0.048CC..Hα-helixtrans-57.4-38-179.6-49.80000112.4G69 E75 L91 M267 F288G69-T71 PolarHBondContact O-N 2.9Å; T71-E75 PolarHBondContact O-N 3.22Å; T71-L91 HydrophobicContact CG2-CD2 3.69Å; T71-M267 HydrophobicContact CG2-CE 4Å; T71-F288 HydrophobicContact CG2-CE1 4.06Å; T71-F288 WeakPolarHBondContact OG1-CE1 3.39Å
72W97Very high97.4Very high31 Ų319.2 Ų9.212%0.1175%0.05CC..Hα-helixtrans-67.8-51.2-178.5-167.417.5000110.6G69 T70 S74 E75 I76 Y228 M231 Q232 L235 V262 M267G69-W72 WeakPolarHBondContact O-CB 3.01Å; G69-W72 PolarHBondContact O-N 3.43Å; T70-W72 PolarHBondContact O-N 3.49Å; W72-S74 PolarHBondContact O-N 3.42Å; W72-E75 PolarHBondContact O-N 3.45Å; W72-I76 HydrophobicContact CG-CD1 4.41Å; W72-I76 WeakPolarHBondContact O-CG1 3.24Å; W72-I76 PolarHBondContact O-N 3.34Å; W72-Y228 AromaticContact CE3-CD2 3.81Å; W72-Y228 HydrophobicContact CE3-CD2 3.81Å; W72-Y228 AromaticContact CE3-CE2 3.5Å; W72-Y228 HydrophobicContact CE3-CE2 3.5Å; W72-Y228 VanDerWaalsContact CE3-CE2 3.5Å; W72-Y228 HydrophobicContact CZ3-CD2 4.01Å; W72-Y228 HydrophobicContact CZ3-CE1 4.5Å; W72-Y228 AromaticContact CZ3-CE2 3.73Å; W72-Y228 HydrophobicContact CZ3-CE2 3.73Å; W72-Y228 AromaticContact CZ3-CZ 3.97Å; W72-M231 HydrophobicContact CD2-CE 4.28Å; W72-M231 HydrophobicContact CE3-CB 4.31Å; W72-M231 HydrophobicContact CE3-CE 3.57Å; W72-M231 HydrophobicContact CE3-SD 4.24Å; W72-M231 HydrophobicContact CH2-CB 3.6Å; W72-M231 HydrophobicContact CZ2-CB 4.35Å; W72-M231 HydrophobicContact CZ3-CB 3.57Å; W72-M231 HydrophobicContact CZ3-CE 3.88Å; W72-M231 HydrophobicContact CZ3-SD 4.43Å; W72-Q232 HydrophobicContact CH2-CG 4.16Å; W72-Q232 HydrophobicContact CZ3-CG 4.11Å; W72-Q232 VanDerWaalsContact CZ3-NE2 3.28Å; W72-L235 HydrophobicContact CH2-CD1 4.44Å; W72-L235 HydrophobicContact CZ2-CD1 3.81Å; W72-L235 HydrophobicContact CZ2-CD2 4.24Å; W72-V262 PolarHBondContact NE1-O 3.18Å; W72-M267 HydrophobicContact CG-SD 4.42Å
73V98.2Very high97.1Very high0 Ų011.7 Ų11.70%07%0.067CC..Hα-helixtrans-67.2-36.6177.5177.80000111.8I62 G69 T70 E75 I76 V77 V159 V161 V226 M231I62-V73 HydrophobicContact CG2-CB 4.33Å; I62-V73 HydrophobicContact CG2-CG1 4.12Å; G69-V73 PolarHBondContact O-N 3.1Å; G69-V73 VanDerWaalsContact O-N 3.16Å; T70-V73 PolarHBondContact O-N 3.34Å; V73-E75 VanDerWaalsContact C-N 3.3Å; V73-E75 PolarHBondContact O-N 2.95Å; V73-I76 PolarHBondContact O-N 3.03Å; V73-V77 HydrophobicContact CG1-CG2 3.81Å; V73-V77 WeakPolarHBondContact O-CB 3.39Å; V73-V77 VanDerWaalsContact O-CG2 3.26Å; V73-V77 WeakPolarHBondContact O-CG2 3.48Å; V73-V77 PolarHBondContact O-N 3.13Å; V73-V159 HydrophobicContact CG1-CG1 3.65Å; V73-V161 HydrophobicContact CB-CG2 3.63Å; V73-V161 HydrophobicContact CG1-CG2 3.8Å; V73-V161 HydrophobicContact CG2-CB 4.3Å; V73-V161 HydrophobicContact CG2-CG1 3.73Å; V73-V161 HydrophobicContact CG2-CG2 3.53Å; V73-V226 HydrophobicContact CG2-CG1 4.5Å; V73-M231 HydrophobicContact CG2-CE 3.6Å; V73-M231 HydrophobicContact CG2-SD 3.73Å
74S98Very high96.7Very high3 Ų317.5 Ų17.52%0.02110%0.095CC..Hα-helixtrans-59.8-42174-60.30000111.5T70 W72 S78T70-S74 VanDerWaalsContact O-CB 3.31Å; T70-S74 WeakPolarHBondContact O-CB 3.39Å; T70-S74 PolarHBondContact O-N 2.96Å; T70-S74 PolarHBondContact O-OG 2.98Å; W72-S74 PolarHBondContact O-N 3.42Å; S74-S78 VanDerWaalsContact O-CB 3.23Å; S74-S78 WeakPolarHBondContact O-CB 3.42Å; S74-S78 PolarHBondContact O-N 3.12Å; S74-S78 VanDerWaalsContact O-N 3.07Å; S74-S78 PolarHBondContact O-OG 3.22Å
75E97.1Very high96.2Very high9 Ų923.5 Ų23.54%0.04212%0.123CC..Hα-helixtrans-66.2-45.9174.1-165.264-156.600111.3T71 W72 V73 V77 S78 Q79 L91 R94 T261 V262 M267T71-E75 PolarHBondContact O-N 3.22Å; W72-E75 PolarHBondContact O-N 3.45Å; V73-E75 VanDerWaalsContact C-N 3.3Å; V73-E75 PolarHBondContact O-N 2.95Å; E75-V77 PolarHBondContact O-N 3.33Å; E75-S78 WeakPolarHBondContact CA-OG 3.15Å; E75-S78 PolarHBondContact O-OG 3.09Å; E75-Q79 HydrophobicContact CG-CG 4.2Å; E75-Q79 VanDerWaalsContact O-CB 3.29Å; E75-Q79 WeakPolarHBondContact O-CB 3.48Å; E75-Q79 WeakPolarHBondContact O-CG 3.43Å; E75-Q79 PolarHBondContact O-N 3.34Å; E75-Q79 PolarHBondContact OE1-NE2 2.85Å; E75-L91 WeakPolarHBondContact OE2-CD1 2.97Å; E75-R94 VanDerWaalsContact CD-NH2 3.34Å; E75-R94 IonicContact OE1-CZ 2.64Å; E75-R94 IonicContact OE1-NH2 2.68Å; E75-R94 PolarHBondContact OE1-NH2 3.33Å; E75-R94 VanDerWaalsContact OE1-NH2 3.13Å; E75-R94 IonicContact OE2-CZ 3.83Å; E75-R94 IonicContact OE2-NH1 2.67Å; E75-R94 PolarHBondContact OE2-NH1 2.83Å; E75-R94 IonicContact OE2-NH2 2.71Å; E75-R94 PolarHBondContact OE2-NH2 2.76Å; E75-T261 HydrophobicContact CG-CG2 4.49Å; E75-V262 HydrophobicContact CB-CG1 4.13Å; E75-V262 HydrophobicContact CG-CG1 3.86Å; E75-M267 HydrophobicContact CB-CE 3.63Å; E75-M267 HydrophobicContact CB-SD 4.35Å; E75-M267 HydrophobicContact CG-CE 4.07Å
76I98Very high95.9Very high0 Ų023.7 Ų23.70%012%0.124CC..Hα-helixtrans-55.8-55.4177-67.3166.1000111.2W72 V73 S78 Q79 L80 M231 L235 I239 L242 V258 V262W72-I76 HydrophobicContact CG-CD1 4.41Å; W72-I76 WeakPolarHBondContact O-CG1 3.24Å; W72-I76 PolarHBondContact O-N 3.34Å; V73-I76 PolarHBondContact O-N 3.03Å; I76-S78 PolarHBondContact O-N 3.44Å; I76-Q79 PolarHBondContact O-N 2.75Å; I76-L80 HydrophobicContact CG2-CD1 3.93Å; I76-L80 VanDerWaalsContact O-CG 3.28Å; I76-L80 WeakPolarHBondContact O-CG 3.1Å; I76-L80 PolarHBondContact O-N 2.83Å; I76-L80 VanDerWaalsContact O-N 3.07Å; I76-M231 HydrophobicContact CD1-SD 4.04Å; I76-L235 HydrophobicContact CD1-CD1 4.01Å; I76-I239 HydrophobicContact CG2-CG1 3.92Å; I76-L242 HydrophobicContact CG2-CD1 3.83Å; I76-V258 HydrophobicContact CG2-CG1 4.44Å; I76-V262 HydrophobicContact CD1-CG2 4.36Å; I76-V262 HydrophobicContact CG1-CB 3.95Å; I76-V262 HydrophobicContact CG1-CG1 3.67Å; I76-V262 HydrophobicContact CG1-CG2 3.84Å
77V98.4Very high95.6Very high0 Ų024.5 Ų24.50%013%0.127CC..Hα-helixtrans-64.9-43.2-173.5173.60000111I60 I62 V73 E75 L80 C81 M137 V159 L246I60-V77 HydrophobicContact CD1-CG1 4.48Å; I60-V77 HydrophobicContact CG2-CG1 3.95Å; I62-V77 HydrophobicContact CD1-CB 4.34Å; I62-V77 HydrophobicContact CD1-CG1 4.39Å; V73-V77 HydrophobicContact CG1-CG2 3.81Å; V73-V77 WeakPolarHBondContact O-CB 3.39Å; V73-V77 VanDerWaalsContact O-CG2 3.26Å; V73-V77 WeakPolarHBondContact O-CG2 3.48Å; V73-V77 PolarHBondContact O-N 3.13Å; E75-V77 PolarHBondContact O-N 3.33Å; V77-L80 PolarHBondContact O-N 3.48Å; V77-C81 PolarHBondContact O-N 3.4Å; V77-C81 PolarHBondContact O-SG 3.04Å; V77-C81 VanDerWaalsContact O-SG 3.34Å; V77-M137 HydrophobicContact CG1-CE 3.7Å; V77-M137 HydrophobicContact CG1-SD 3.98Å; V77-V159 HydrophobicContact CG2-CG2 4.38Å; V77-L246 HydrophobicContact CB-CD1 4.49Å; V77-L246 HydrophobicContact CG1-CD1 3.97Å; V77-L246 HydrophobicContact CG1-CD2 4.39Å; V77-L246 HydrophobicContact CG2-CD1 4.24Å
78S97.1Very high95.1Very high0 Ų025.5 Ų25.50%014%0.142CC..Hα-helixtrans-66.1-38.7176.557.50000113.1S74 E75 I76 L80 C81 H82 R94S74-S78 VanDerWaalsContact O-CB 3.23Å; S74-S78 WeakPolarHBondContact O-CB 3.42Å; S74-S78 PolarHBondContact O-N 3.12Å; S74-S78 VanDerWaalsContact O-N 3.07Å; S74-S78 PolarHBondContact O-OG 3.22Å; E75-S78 WeakPolarHBondContact CA-OG 3.15Å; E75-S78 PolarHBondContact O-OG 3.09Å; I76-S78 PolarHBondContact O-N 3.44Å; S78-L80 PolarHBondContact O-N 3.4Å; S78-C81 PolarHBondContact O-N 2.87Å; S78-H82 VanDerWaalsContact O-CB 3.24Å; S78-H82 WeakPolarHBondContact O-CB 3.34Å; S78-H82 PolarHBondContact O-N 3.23Å; S78-R94 PolarHBondContact OG-NH1 3.38Å
79Q96.4Very high94.6Very high22 Ų2227.6 Ų27.610%0.10315%0.15CC..Hα-helixtrans-65.2-27.2174.8-68.9-69.3-21.800112.4E75 I76 K87 V258 T261E75-Q79 HydrophobicContact CG-CG 4.2Å; E75-Q79 VanDerWaalsContact O-CB 3.29Å; E75-Q79 WeakPolarHBondContact O-CB 3.48Å; E75-Q79 WeakPolarHBondContact O-CG 3.43Å; E75-Q79 PolarHBondContact O-N 3.34Å; E75-Q79 PolarHBondContact OE1-NE2 2.85Å; I76-Q79 PolarHBondContact O-N 2.75Å; Q79-K87 WeakPolarHBondContact O-CE 3.45Å; Q79-K87 PolarHBondContact O-NZ 3.41Å; Q79-K87 VanDerWaalsContact OE1-CD 3.27Å; Q79-V258 HydrophobicContact CB-CG1 4.28Å; Q79-V258 HydrophobicContact CB-CG2 3.85Å; Q79-T261 HydrophobicContact CG-CG2 4.33Å
80L97.5Very high94.2Very high11 Ų1128.5 Ų28.56%0.05815%0.154CC..Hα-helixtrans-80.1-35.8176.3-70.1171.9000113.6I76 V77 S78 I239 L242 I243 L246 V248 P250 V258I76-L80 HydrophobicContact CG2-CD1 3.93Å; I76-L80 VanDerWaalsContact O-CG 3.28Å; I76-L80 WeakPolarHBondContact O-CG 3.1Å; I76-L80 PolarHBondContact O-N 2.83Å; I76-L80 VanDerWaalsContact O-N 3.07Å; V77-L80 PolarHBondContact O-N 3.48Å; S78-L80 PolarHBondContact O-N 3.4Å; L80-I239 HydrophobicContact CD1-CG2 4.41Å; L80-I239 HydrophobicContact CD2-CG2 4.38Å; L80-L242 HydrophobicContact CD1-CB 4.45Å; L80-I243 HydrophobicContact CD1-CG1 4Å; L80-I243 HydrophobicContact CD2-CD1 4Å; L80-I243 HydrophobicContact CD2-CG1 3.81Å; L80-L246 HydrophobicContact CD1-CD1 4.33Å; L80-V248 HydrophobicContact CB-CG2 4.43Å; L80-P250 HydrophobicContact CD2-CG 4.12Å; L80-V258 HydrophobicContact CD2-CG2 4Å; L80-V258 HydrophobicContact CG-CG2 4.46Å
81C96.9Very high93.9Very high25 Ų2528.1 Ų28.117%0.16915%0.151CC..Hα-helixtrans-107.1-24.3-169.7-54.10000115.2V77 S78 P135 M137V77-C81 PolarHBondContact O-N 3.4Å; V77-C81 PolarHBondContact O-SG 3.04Å; V77-C81 VanDerWaalsContact O-SG 3.34Å; S78-C81 PolarHBondContact O-N 2.87Å; C81-P135 HydrophobicContact CB-CG 3.85Å; C81-P135 WeakPolarHBondContact O-CD 3.35Å; C81-M137 HydrophobicContact CB-CE 3.36Å
82H95.4Very high93.5Very high9 Ų928.9 Ų28.94%0.04215%0.153CC..SBendtrans-87.3156.5-176.2-69.2165.6000111.9S78 A86 K87 I133 E134 P135S78-H82 VanDerWaalsContact O-CB 3.24Å; S78-H82 WeakPolarHBondContact O-CB 3.34Å; S78-H82 PolarHBondContact O-N 3.23Å; H82-A86 HydrophobicContact CB-CB 3.79Å; H82-K87 HydrophobicContact CB-CG 4.35Å; H82-K87 WeakPolarHBondContact O-CE 3.33Å; H82-I133 WeakPolarHBondContact CE1-CG2 3.45Å; H82-I133 WeakPolarHBondContact NE2-CG2 3.24Å; H82-E134 PolarHBondContact CD2-O 2.65Å; H82-E134 VanDerWaalsContact CD2-O 3.3Å; H82-P135 PolarHBondContact NE2-O 3.21Å
83S92.2Very high93.1Very high53 Ų5328.8 Ų28.837%0.37115%0.154SC..  trans-70.9165.7170.979.40000111.8E85 A86 K87S83-E85 VanDerWaalsContact C-N 3.27Å; S83-E85 WeakPolarHBondContact CB-OE2 3.5Å; S83-E85 PolarHBondContact O-N 3.26Å; S83-E85 PolarHBondContact OG-OE2 2.92Å; S83-A86 PolarHBondContact O-N 3.4Å; S83-A86 VanDerWaalsContact O-N 3.12Å; S83-A86 PolarHBondContact OG-N 2.86Å; S83-K87 VanDerWaalsContact O-CG 3.3Å; S83-K87 WeakPolarHBondContact O-CG 3.35Å; S83-K87 PolarHBondContact O-N 3.02Å
84E90.1Very high92.8Very high122 Ų12228.9 Ų28.957%0.5716%0.155SC*.Hα-helixtrans-59.8-37.2177.5-65.4-53.9130.600112.6A86 K87 A88E84-A86 VanDerWaalsContact C-N 3.31Å; E84-A86 PolarHBondContact O-N 2.6Å; E84-K87 PolarHBondContact O-N 2.96Å; E84-K87 WeakPolarHBondContact OE1-CD 3.41Å; E84-K87 WeakPolarHBondContact OE1-CE 3.4Å; E84-K87 IonicContact OE1-NZ 3.17Å; E84-K87 PolarHBondContact OE1-NZ 3.04Å; E84-A88 PolarHBondContact O-N 2.92Å
85E89.5Confident92.7Very high126 Ų12628.9 Ų28.959%0.58915%0.154SC*.Hα-helixtrans-65.6-36.1176.9-53.975-160.800111.7S83S83-E85 VanDerWaalsContact C-N 3.27Å; S83-E85 WeakPolarHBondContact CB-OE2 3.5Å; S83-E85 PolarHBondContact O-N 3.26Å; S83-E85 PolarHBondContact OG-OE2 2.92Å
86A91Very high92.5Very high3 Ų330 Ų303%0.02516%0.162CC..Hα-helixtrans-72.1-46.7174.600000110.8H82 S83 E84 A88 R89 R94 I133H82-A86 HydrophobicContact CB-CB 3.79Å; S83-A86 PolarHBondContact O-N 3.4Å; S83-A86 VanDerWaalsContact O-N 3.12Å; S83-A86 PolarHBondContact OG-N 2.86Å; E84-A86 VanDerWaalsContact C-N 3.31Å; E84-A86 PolarHBondContact O-N 2.6Å; A86-A88 PolarHBondContact O-N 3.39Å; A86-A88 VanDerWaalsContact O-N 3.14Å; A86-R89 VanDerWaalsContact O-CB 3.28Å; A86-R89 WeakPolarHBondContact O-CB 3.37Å; A86-R89 WeakPolarHBondContact O-CG 3.41Å; A86-R89 PolarHBondContact O-N 3.47Å; A86-R94 VanDerWaalsContact O-CD 3.25Å; A86-R94 WeakPolarHBondContact O-CD 3.4Å; A86-I133 HydrophobicContact CB-CG1 4.34Å; A86-I133 HydrophobicContact CB-CG2 4.29Å
87K91.2Very high92.4Very high19 Ų1931 Ų318%0.08317%0.166CC..Hα-helixtrans-55.8-28.9176.2-69.7169.8-171.5-172.60113.4Q79 H82 S83 E84 R89Q79-K87 WeakPolarHBondContact O-CE 3.45Å; Q79-K87 PolarHBondContact O-NZ 3.41Å; Q79-K87 VanDerWaalsContact OE1-CD 3.27Å; H82-K87 HydrophobicContact CB-CG 4.35Å; H82-K87 WeakPolarHBondContact O-CE 3.33Å; S83-K87 VanDerWaalsContact O-CG 3.3Å; S83-K87 WeakPolarHBondContact O-CG 3.35Å; S83-K87 PolarHBondContact O-N 3.02Å; E84-K87 PolarHBondContact O-N 2.96Å; E84-K87 WeakPolarHBondContact OE1-CD 3.41Å; E84-K87 WeakPolarHBondContact OE1-CE 3.4Å; E84-K87 IonicContact OE1-NZ 3.17Å; E84-K87 PolarHBondContact OE1-NZ 3.04Å; K87-R89 PolarHBondContact O-N 3.29Å
88A87.7Confident92.2Very high57 Ų5731 Ų3147%0.47117%0.166SC..THydrogen-bonded Turntrans-60.8-25.7174.700000112.9E84 A86 K272E84-A88 PolarHBondContact O-N 2.92Å; A86-A88 PolarHBondContact O-N 3.39Å; A86-A88 VanDerWaalsContact O-N 3.14Å; A88-K272 VanDerWaalsContact O-CE 3.25Å; A88-K272 WeakPolarHBondContact O-CE 3.49Å; A88-K272 PolarHBondContact O-NZ 3.16Å
89R86.9Confident92.1Very high44 Ų4431 Ų3117%0.16617%0.166CC..SBendtrans-78.5155.4-178.2-55.4-176.6-163.6-176.113.4112.8A86 K87 E93 R94 A131A86-R89 VanDerWaalsContact O-CB 3.28Å; A86-R89 WeakPolarHBondContact O-CB 3.37Å; A86-R89 WeakPolarHBondContact O-CG 3.41Å; A86-R89 PolarHBondContact O-N 3.47Å; K87-R89 PolarHBondContact O-N 3.29Å; R89-E93 HydrophobicContact CB-CB 4.43Å; R89-R94 HydrophobicContact CB-CG 4.3Å; R89-R94 PolarHBondContact O-NE 2.86Å; R89-A131 PolarHBondContact NH2-O 3Å
90P87.8Confident91.9Very high30 Ų3031.7 Ų31.720%0.19517%0.17CC..  trans-56149.3173.2-24.234.3000113.1H92 E93 R94P90-H92 VanDerWaalsContact C-N 3.26Å; P90-H92 WeakPolarHBondContact CB-CE1 3.4Å; P90-H92 PolarHBondContact O-N 3.06Å; P90-E93 HydrophobicContact CB-CG 4.41Å; P90-E93 HydrophobicContact CG-CG 4.48Å; P90-E93 WeakPolarHBondContact O-CB 3.45Å; P90-E93 PolarHBondContact O-N 3.5Å; P90-R94 PolarHBondContact O-N 3.43Å
91L90.8Very high91.4Very high4 Ų431.9 Ų31.92%0.02117%0.17CC..Hα-helixtrans-60.6-34.6-176.8178.559000112.9T71 E75 E93 R94 V95 K272T71-L91 HydrophobicContact CG2-CD2 3.69Å; E75-L91 WeakPolarHBondContact OE2-CD1 2.97Å; L91-E93 PolarHBondContact O-N 2.79Å; L91-R94 PolarHBondContact O-N 2.81Å; L91-V95 HydrophobicContact CD1-CB 4.21Å; L91-V95 HydrophobicContact CD1-CG2 3.82Å; L91-V95 PolarHBondContact O-N 3.12Å; L91-K272 WeakPolarHBondContact CB-O 3.25Å; L91-K272 PolarHBondContact N-O 3.17Å
92H87.1Confident90.5Very high38 Ų3833.8 Ų33.818%0.17618%0.184CC..Hα-helixtrans-70.4-16.8178.970.3-93.5000113.7P90 P96 Y110P90-H92 VanDerWaalsContact C-N 3.26Å; P90-H92 WeakPolarHBondContact CB-CE1 3.4Å; P90-H92 PolarHBondContact O-N 3.06Å; H92-P96 WeakPolarHBondContact O-CA 3.37Å; H92-Y110 PolarHBondContact CE1-OH 3.19Å; H92-Y110 AromaticContact NE2-CE1 3.96Å; H92-Y110 PolarHBondContact NE2-OH 3.43Å
93E87.8Confident89.5Confident30 Ų3035.9 Ų35.914%0.1420%0.2CC..Hα-helixtrans-85.4-35.6170.2-61.8-172.8-16200111.4R89 P90 L91 W111 H114 I133R89-E93 HydrophobicContact CB-CB 4.43Å; P90-E93 HydrophobicContact CB-CG 4.41Å; P90-E93 HydrophobicContact CG-CG 4.48Å; P90-E93 WeakPolarHBondContact O-CB 3.45Å; P90-E93 PolarHBondContact O-N 3.5Å; L91-E93 PolarHBondContact O-N 2.79Å; E93-W111 HydrophobicContact CG-CH2 3.94Å; E93-W111 HydrophobicContact CG-CZ3 3.96Å; E93-H114 IonicContact OE1-CE1 3.92Å; E93-H114 PolarHBondContact OE1-CE1 3.39Å; E93-H114 IonicContact OE1-ND1 3.92Å; E93-H114 IonicContact OE1-NE2 3.59Å; E93-I133 WeakPolarHBondContact O-CD1 3.33Å
94R92.8Very high88.8Confident2 Ų235.9 Ų35.91%0.00819%0.192CC..Hα-helixtrans-75.4-39.3179.9-70.6-174.9-81.4109.5-9.4112.8E75 S78 A86 R89 P90 L91 P96 I133E75-R94 VanDerWaalsContact CD-NH2 3.34Å; E75-R94 IonicContact OE1-CZ 2.64Å; E75-R94 IonicContact OE1-NH2 2.68Å; E75-R94 PolarHBondContact OE1-NH2 3.33Å; E75-R94 VanDerWaalsContact OE1-NH2 3.13Å; E75-R94 IonicContact OE2-CZ 3.83Å; E75-R94 IonicContact OE2-NH1 2.67Å; E75-R94 PolarHBondContact OE2-NH1 2.83Å; E75-R94 IonicContact OE2-NH2 2.71Å; E75-R94 PolarHBondContact OE2-NH2 2.76Å; S78-R94 PolarHBondContact OG-NH1 3.38Å; A86-R94 VanDerWaalsContact O-CD 3.25Å; A86-R94 WeakPolarHBondContact O-CD 3.4Å; R89-R94 HydrophobicContact CB-CG 4.3Å; R89-R94 PolarHBondContact O-NE 2.86Å; P90-R94 PolarHBondContact O-N 3.43Å; L91-R94 PolarHBondContact O-N 2.81Å; R94-P96 VanDerWaalsContact C-CD 3.48Å; R94-I133 HydrophobicContact CG-CD1 4.36Å
95V95.4Very high88Confident2 Ų237.2 Ų37.21%0.01220%0.201CC..SBendtrans-13076.2-179.4-168.50000107.8I62 L91 M137 F139I62-V95 HydrophobicContact CD1-CG1 3.63Å; I62-V95 HydrophobicContact CD1-CG2 4.22Å; L91-V95 HydrophobicContact CD1-CB 4.21Å; L91-V95 HydrophobicContact CD1-CG2 3.82Å; L91-V95 PolarHBondContact O-N 3.12Å; V95-M137 HydrophobicContact CB-CB 4.44Å; V95-M137 HydrophobicContact CG1-CB 4.27Å; V95-M137 HydrophobicContact CG2-CB 3.98Å; V95-M137 HydrophobicContact CG2-SD 4.06Å; V95-F139 HydrophobicContact CG1-CB 3.92Å; V95-F139 HydrophobicContact CG1-CD1 4.23Å; V95-F139 VanDerWaalsContact O-CD1 3.24Å; V95-F139 WeakPolarHBondContact O-CD1 3.34Å
96P93.3Very high87.2Confident32 Ų3234.5 Ų34.521%0.20819%0.186CC..  trans-62.8156.1175.622.4-34.9000113.4H92 R94 L98 M137 W138 F139H92-P96 WeakPolarHBondContact O-CA 3.37Å; R94-P96 VanDerWaalsContact C-CD 3.48Å; P96-L98 PolarHBondContact O-N 2.84Å; P96-M137 VanDerWaalsContact CD-O 3.26Å; P96-M137 WeakPolarHBondContact CD-O 2.84Å; P96-W138 HydrophobicContact CB-CE3 3.97Å; P96-W138 HydrophobicContact CB-CZ3 3.79Å; P96-W138 HydrophobicContact CG-CD2 4.13Å; P96-W138 HydrophobicContact CG-CE3 3.5Å; P96-W138 HydrophobicContact CG-CH2 3.99Å; P96-W138 HydrophobicContact CG-CZ3 3.43Å; P96-W138 VanDerWaalsContact CG-CZ3 3.43Å; P96-W138 WeakPolarHBondContact O-CA 3.27Å; P96-F139 PolarHBondContact O-N 3.29Å
97W94.3Very high86.3Confident23 Ų2334.4 Ų34.49%0.08719%0.185CC..BIsolated β-bridgetrans-77.3115175.5-169.65.6000110.2T41 V42 E99 M100 F139 F181 Y202T41-W97 HydrophobicContact CG2-CH2 4.3Å; T41-W97 HydrophobicContact CG2-CZ3 3.95Å; V42-W97 HydrophobicContact CG2-CH2 4.42Å; V42-W97 HydrophobicContact CG2-CZ2 4.24Å; W97-E99 VanDerWaalsContact CD1-CD 3.46Å; W97-E99 HydrophobicContact CZ2-CG 4.22Å; W97-E99 PolarHBondContact NE1-OE1 3.26Å; W97-E99 PolarHBondContact NE1-OE2 3.3Å; W97-M100 HydrophobicContact CB-CB 3.8Å; W97-M100 HydrophobicContact CD2-CB 3.76Å; W97-M100 HydrophobicContact CD2-CG 4.45Å; W97-M100 HydrophobicContact CE3-CB 3.7Å; W97-M100 HydrophobicContact CE3-CG 3.88Å; W97-M100 HydrophobicContact CE3-SD 3.7Å; W97-M100 HydrophobicContact CG-CB 3.85Å; W97-M100 HydrophobicContact CZ3-CB 4.44Å; W97-M100 HydrophobicContact CZ3-CG 4.34Å; W97-M100 HydrophobicContact CZ3-SD 4.31Å; W97-M100 PolarHBondContact O-N 3.34Å; W97-F139 VanDerWaalsContact CA-CE1 3.45Å; W97-F139 HydrophobicContact CB-CD1 4.32Å; W97-F139 HydrophobicContact CB-CE1 3.49Å; W97-F139 VanDerWaalsContact CB-CE1 3.49Å; W97-F139 HydrophobicContact CB-CE2 3.97Å; W97-F139 HydrophobicContact CB-CZ 3.27Å; W97-F139 AromaticContact CD1-CE2 3.45Å; W97-F139 VanDerWaalsContact CD1-CE2 3.45Å; W97-F139 AromaticContact CD1-CZ 3.72Å; W97-F139 HydrophobicContact CD2-CE2 4.19Å; W97-F139 HydrophobicContact CD2-CZ 4.01Å; W97-F139 HydrophobicContact CG-CD2 4.48Å; W97-F139 HydrophobicContact CG-CE1 4.08Å; W97-F139 AromaticContact CG-CE2 3.6Å; W97-F139 HydrophobicContact CG-CE2 3.6Å; W97-F139 AromaticContact CG-CZ 3.36Å; W97-F139 HydrophobicContact CG-CZ 3.36Å; W97-F139 AromaticContact NE1-CE2 3.97Å; W97-F181 HydrophobicContact CH2-CE2 4.29Å; W97-F181 HydrophobicContact CH2-CZ 4.32Å; W97-F181 HydrophobicContact CZ3-CZ 4.5Å; W97-Y202 WeakPolarHBondContact CZ2-OH 3.34Å
98L95.9Very high85.5Confident0 Ų041 Ų410%021%0.209CC..THydrogen-bonded Turntrans-60.8-50.4-172.2-176.363.3000112.9R46 L50 F55 P96 M100 W138 F139R46-L98 VanDerWaalsContact CZ-O 3.29Å; R46-L98 PolarHBondContact NE-O 3.24Å; R46-L98 PolarHBondContact NH2-O 2.79Å; L50-L98 HydrophobicContact CD1-CG 4.18Å; L50-L98 HydrophobicContact CD2-CD1 3.74Å; L50-L98 HydrophobicContact CD2-CG 3.81Å; F55-L98 HydrophobicContact CE1-CD1 4.31Å; F55-L98 HydrophobicContact CE1-CD2 4.36Å; F55-L98 HydrophobicContact CZ-CD1 4.21Å; F55-L98 HydrophobicContact CZ-CD2 4.04Å; P96-L98 PolarHBondContact O-N 2.84Å; L98-M100 VanDerWaalsContact C-N 3.31Å; L98-M100 PolarHBondContact O-N 3.44Å; L98-W138 HydrophobicContact CB-CB 4.19Å; L98-W138 HydrophobicContact CB-CE3 4.38Å; L98-W138 HydrophobicContact CD1-CB 4.33Å; L98-W138 HydrophobicContact CD1-CD2 3.87Å; L98-W138 HydrophobicContact CD1-CE3 3.89Å; L98-W138 HydrophobicContact CD1-CG 4.04Å; L98-F139 WeakPolarHBondContact CB-O 3.15Å; L98-F139 PolarHBondContact N-O 3.19Å
99E94.9Very high85Confident0 Ų044 Ų440%021%0.212CC..THydrogen-bonded Turntrans-85.53.1-176.464.9-86.9-164.100114.4V42 R46 M47 L50 W97 E101 S140 H141 L142V42-E99 HydrophobicContact CG2-CG 4.44Å; R46-E99 WeakPolarHBondContact CG-O 3.32Å; M47-E99 HydrophobicContact SD-CB 4.02Å; L50-E99 HydrophobicContact CD1-CB 4.01Å; W97-E99 VanDerWaalsContact CD1-CD 3.46Å; W97-E99 HydrophobicContact CZ2-CG 4.22Å; W97-E99 PolarHBondContact NE1-OE1 3.26Å; W97-E99 PolarHBondContact NE1-OE2 3.3Å; E99-E101 PolarHBondContact O-N 2.8Å; E99-S140 WeakPolarHBondContact OE2-CA 3Å; E99-S140 VanDerWaalsContact OE2-CB 3.26Å; E99-S140 WeakPolarHBondContact OE2-CB 3.35Å; E99-S140 PolarHBondContact OE2-OG 2.88Å; E99-H141 PolarHBondContact OE1-N 2.8Å; E99-L142 HydrophobicContact CB-CD1 4.26Å; E99-L142 HydrophobicContact CB-CD2 3.85Å; E99-L142 HydrophobicContact CB-CG 4.11Å; E99-L142 HydrophobicContact CG-CD2 3.83Å; E99-L142 HydrophobicContact CG-CG 4.15Å
100M91.8Very high84.4Confident36 Ų3645 Ų4518%0.17722%0.216CC..SBendtrans-70132.6174.8-169.9170.666.700111.2T41 R46 W97 L98 S102 W106 V107T41-M100 CarbonylContact O-C 3.56Å; T41-M100 WeakPolarHBondContact O-CA 3.46Å; R46-M100 PolarHBondContact NE-O 3Å; W97-M100 HydrophobicContact CB-CB 3.8Å; W97-M100 HydrophobicContact CD2-CB 3.76Å; W97-M100 HydrophobicContact CD2-CG 4.45Å; W97-M100 HydrophobicContact CE3-CB 3.7Å; W97-M100 HydrophobicContact CE3-CG 3.88Å; W97-M100 HydrophobicContact CE3-SD 3.7Å; W97-M100 HydrophobicContact CG-CB 3.85Å; W97-M100 HydrophobicContact CZ3-CB 4.44Å; W97-M100 HydrophobicContact CZ3-CG 4.34Å; W97-M100 HydrophobicContact CZ3-SD 4.31Å; W97-M100 PolarHBondContact O-N 3.34Å; L98-M100 VanDerWaalsContact C-N 3.31Å; L98-M100 PolarHBondContact O-N 3.44Å; M100-S102 PolarHBondContact O-N 2.93Å; M100-S102 VanDerWaalsContact O-N 3.17Å; M100-W106 HydrophobicContact SD-CH2 4.48Å; M100-V107 HydrophobicContact CE-CG1 4.48Å
101E86Confident83.5Confident15 Ų1548.3 Ų48.37%0.0723%0.225CC..  trans-75.4100.3176.6177.853.4-95.100110.6T41 S43 R46 E99 S103 Y104 V107T41-E101 PolarHBondContact O-N 3.22Å; S43-E101 WeakPolarHBondContact CB-OE2 3.47Å; S43-E101 PolarHBondContact OG-OE2 3.49Å; R46-E101 HydrophobicContact CB-CB 4.48Å; E99-E101 PolarHBondContact O-N 2.8Å; E101-S103 VanDerWaalsContact C-N 3.29Å; E101-S103 PolarHBondContact O-N 2.87Å; E101-S103 WeakPolarHBondContact OE1-CB 3.45Å; E101-S103 PolarHBondContact OE1-N 2.99Å; E101-S103 PolarHBondContact OE1-OG 3.43Å; E101-Y104 HydrophobicContact CB-CD1 4.5Å; E101-Y104 HydrophobicContact CB-CD2 3.72Å; E101-Y104 HydrophobicContact CB-CE1 4.39Å; E101-Y104 HydrophobicContact CB-CE2 3.59Å; E101-Y104 HydrophobicContact CB-CG 4.2Å; E101-Y104 HydrophobicContact CG-CD1 3.54Å; E101-Y104 HydrophobicContact CG-CD2 3.66Å; E101-Y104 HydrophobicContact CG-CE1 3.5Å; E101-Y104 HydrophobicContact CG-CE2 3.62Å; E101-Y104 HydrophobicContact CG-CG 3.63Å; E101-V107 WeakPolarHBondContact O-CG2 3.15Å
102S78.6Confident82.8Confident65 Ų6552.9 Ų52.946%0.45525%0.245SC..THydrogen-bonded Turntrans-76.6-14.7-178610000113.7M100 Y104M100-S102 PolarHBondContact O-N 2.93Å; M100-S102 VanDerWaalsContact O-N 3.17Å; S102-Y104 VanDerWaalsContact C-N 3.35Å
103S75.6Confident82.2Confident53 Ų5358.2 Ų58.237%0.37126%0.263SS..THydrogen-bonded Turntrans-77.9-18.6-179.971.40000113.7E101 I105 R108E101-S103 VanDerWaalsContact C-N 3.29Å; E101-S103 PolarHBondContact O-N 2.87Å; E101-S103 WeakPolarHBondContact OE1-CB 3.45Å; E101-S103 PolarHBondContact OE1-N 2.99Å; E101-S103 PolarHBondContact OE1-OG 3.43Å; S103-I105 PolarHBondContact O-N 3Å; S103-R108 PolarHBondContact O-NE 2.82Å
104Y77Confident81.4Confident53 Ų5359.4 Ų59.421%0.20827%0.269CS..SBendtrans-59136179.5-71.7-20.6000112.1G39 V40 V42 S43 E101 S102 W106 V107 R108G39-Y104 WeakPolarHBondContact O-CE2 3.39Å; G39-Y104 VanDerWaalsContact O-CZ 3.23Å; G39-Y104 PolarHBondContact O-OH 3.37Å; V40-Y104 WeakPolarHBondContact O-CD2 3.47Å; V40-Y104 WeakPolarHBondContact O-CE2 3.3Å; V42-Y104 PolarHBondContact O-OH 3.48Å; V42-Y104 VanDerWaalsContact O-OH 3.04Å; S43-Y104 WeakPolarHBondContact CB-OH 3.42Å; E101-Y104 HydrophobicContact CB-CD1 4.5Å; E101-Y104 HydrophobicContact CB-CD2 3.72Å; E101-Y104 HydrophobicContact CB-CE1 4.39Å; E101-Y104 HydrophobicContact CB-CE2 3.59Å; E101-Y104 HydrophobicContact CB-CG 4.2Å; E101-Y104 HydrophobicContact CG-CD1 3.54Å; E101-Y104 HydrophobicContact CG-CD2 3.66Å; E101-Y104 HydrophobicContact CG-CE1 3.5Å; E101-Y104 HydrophobicContact CG-CE2 3.62Å; E101-Y104 HydrophobicContact CG-CG 3.63Å; S102-Y104 VanDerWaalsContact C-N 3.35Å; Y104-W106 AromaticContact CD2-NE1 3.78Å; Y104-W106 PolarHBondContact O-N 2.86Å; Y104-V107 WeakPolarHBondContact O-CA 3.39Å; Y104-V107 WeakPolarHBondContact O-CB 3.36Å; Y104-V107 PolarHBondContact O-N 3.34Å; Y104-R108 PolarHBondContact O-N 3.25Å
105I73.4Confident80.6Confident149 Ų14963.8 Ų63.876%0.76429%0.29SS*.Hα-helixtrans-53.2-41.7-176.4-93.1168.1000112.1S103 V107 R108 F109S103-I105 PolarHBondContact O-N 3Å; I105-V107 VanDerWaalsContact C-N 3.32Å; I105-V107 PolarHBondContact O-N 3.31Å; I105-R108 PolarHBondContact O-N 3.33Å; I105-F109 WeakPolarHBondContact O-CB 3.49Å; I105-F109 PolarHBondContact O-N 2.84Å
106W72.9Confident79.6Confident69 Ų6966.4 Ų66.426%0.26130%0.304SS..Hα-helixtrans-68.3-33.1-179.472-93000111.9V40 T41 M100 Y104 Y110 W279 L280V40-W106 VanDerWaalsContact O-CZ2 3.22Å; V40-W106 WeakPolarHBondContact O-CZ2 3.47Å; V40-W106 PolarHBondContact O-NE1 2.87Å; T41-W106 HydrophobicContact CG2-CH2 4.4Å; T41-W106 HydrophobicContact CG2-CZ2 4.06Å; M100-W106 HydrophobicContact SD-CH2 4.48Å; Y104-W106 AromaticContact CD2-NE1 3.78Å; Y104-W106 PolarHBondContact O-N 2.86Å; W106-Y110 WeakPolarHBondContact O-CB 3.14Å; W106-Y110 PolarHBondContact O-N 3.14Å; W106-W279 HydrophobicContact CD2-CZ3 4.46Å; W106-W279 HydrophobicContact CE3-CE3 4.3Å; W106-W279 HydrophobicContact CE3-CZ3 4.39Å; W106-L280 HydrophobicContact CH2-CD1 3.56Å; W106-L280 HydrophobicContact CH2-CD2 3.51Å; W106-L280 HydrophobicContact CH2-CG 3.81Å; W106-L280 HydrophobicContact CZ2-CD2 4.03Å; W106-L280 HydrophobicContact CZ3-CD1 3.87Å; W106-L280 HydrophobicContact CZ3-CD2 3.76Å; W106-L280 HydrophobicContact CZ3-CG 3.8Å
107V71.8Confident78.6Confident2 Ų266.7 Ų66.71%0.01231%0.305CS..Hα-helixtrans-68.1-50.3173.5-177.80000109.4M100 E101 Y104 I105 F109 Y110 W111M100-V107 HydrophobicContact CE-CG1 4.48Å; E101-V107 WeakPolarHBondContact O-CG2 3.15Å; Y104-V107 WeakPolarHBondContact O-CA 3.39Å; Y104-V107 WeakPolarHBondContact O-CB 3.36Å; Y104-V107 PolarHBondContact O-N 3.34Å; I105-V107 VanDerWaalsContact C-N 3.32Å; I105-V107 PolarHBondContact O-N 3.31Å; V107-F109 VanDerWaalsContact C-N 3.27Å; V107-F109 PolarHBondContact O-N 2.95Å; V107-Y110 WeakPolarHBondContact O-CB 3.49Å; V107-Y110 PolarHBondContact O-N 2.86Å; V107-Y110 VanDerWaalsContact O-N 3.16Å; V107-W111 PolarHBondContact O-N 3.34Å
108R74.8Confident77.2Confident157 Ų15769 Ų6959%0.59232%0.316SS*.Hα-helixtrans-58-41176.2-67.6-173.2175.6-170.93.4111.9S103 Y104 I105 W111 F112S103-R108 PolarHBondContact O-NE 2.82Å; Y104-R108 PolarHBondContact O-N 3.25Å; I105-R108 PolarHBondContact O-N 3.33Å; R108-W111 PolarHBondContact O-N 3.49Å; R108-F112 VanDerWaalsContact O-CB 3.27Å; R108-F112 WeakPolarHBondContact O-CB 3.44Å; R108-F112 PolarHBondContact O-N 2.95Å
109F75.5Confident76Confident121 Ų12173.9 Ų73.953%0.53134%0.341SS..Hα-helixtrans-67.6-40.2177.4-169.9-94000111.8I105 V107 W111 F112 W113I105-F109 WeakPolarHBondContact O-CB 3.49Å; I105-F109 PolarHBondContact O-N 2.84Å; V107-F109 VanDerWaalsContact C-N 3.27Å; V107-F109 PolarHBondContact O-N 2.95Å; F109-W111 PolarHBondContact O-N 2.87Å; F109-F112 PolarHBondContact O-N 3.46Å; F109-W113 HydrophobicContact CE1-CB 4.46Å; F109-W113 HydrophobicContact CZ-CE3 4.34Å; F109-W113 VanDerWaalsContact O-CB 3.24Å; F109-W113 WeakPolarHBondContact O-CB 3.5Å; F109-W113 PolarHBondContact O-N 3.37Å
110Y74.4Confident74.8Confident64 Ų6480.3 Ų80.325%0.25138%0.375SS..Hα-helixtrans-56.9-49.2172.2173.7-96.6000111.2H92 W106 V107 W113 H114H92-Y110 PolarHBondContact CE1-OH 3.19Å; H92-Y110 AromaticContact NE2-CE1 3.96Å; H92-Y110 PolarHBondContact NE2-OH 3.43Å; W106-Y110 WeakPolarHBondContact O-CB 3.14Å; W106-Y110 PolarHBondContact O-N 3.14Å; V107-Y110 WeakPolarHBondContact O-CB 3.49Å; V107-Y110 PolarHBondContact O-N 2.86Å; V107-Y110 VanDerWaalsContact O-N 3.16Å; Y110-W113 PolarHBondContact O-N 3.1Å; Y110-H114 VanDerWaalsContact O-CB 3.28Å; Y110-H114 WeakPolarHBondContact O-CB 3.33Å; Y110-H114 PolarHBondContact O-N 3.18Å
111W69.1Low73.4Confident99 Ų9986 Ų8638%0.37540%0.401SS..Hα-helixtrans-65.1-40.8177.7-72.4109.7000112.7E93 V107 R108 F109 H114 M115E93-W111 HydrophobicContact CG-CH2 3.94Å; E93-W111 HydrophobicContact CG-CZ3 3.96Å; V107-W111 PolarHBondContact O-N 3.34Å; R108-W111 PolarHBondContact O-N 3.49Å; F109-W111 PolarHBondContact O-N 2.87Å; W111-H114 PolarHBondContact O-N 2.67Å; W111-M115 WeakPolarHBondContact O-CB 3.28Å; W111-M115 PolarHBondContact O-N 2.97Å
112F77.1Confident71.8Confident101 Ų10188.3 Ų88.344%0.44341%0.414SS..Hα-helixtrans-63.4-45.5175.9176.7-105000112R108 F109 M115 L116R108-F112 VanDerWaalsContact O-CB 3.27Å; R108-F112 WeakPolarHBondContact O-CB 3.44Å; R108-F112 PolarHBondContact O-N 2.95Å; F109-F112 PolarHBondContact O-N 3.46Å; F112-M115 HydrophobicContact CD2-CE 3.73Å; F112-M115 HydrophobicContact CE2-CE 4.01Å; F112-M115 WeakPolarHBondContact O-CB 3.38Å; F112-M115 PolarHBondContact O-N 3.24Å; F112-L116 HydrophobicContact CD1-CD1 3.82Å; F112-L116 HydrophobicContact CD1-CG 4.46Å; F112-L116 HydrophobicContact CE1-CD1 3.22Å; F112-L116 HydrophobicContact CE1-CG 4.08Å; F112-L116 HydrophobicContact CE2-CD1 4.25Å; F112-L116 HydrophobicContact CE2-CG 4.29Å; F112-L116 HydrophobicContact CZ-CD1 3.48Å; F112-L116 VanDerWaalsContact CZ-CD1 3.48Å; F112-L116 HydrophobicContact CZ-CD2 4.38Å; F112-L116 HydrophobicContact CZ-CG 3.97Å; F112-L116 WeakPolarHBondContact O-CB 3.49Å; F112-L116 WeakPolarHBondContact O-CG 3.35Å; F112-L116 PolarHBondContact O-N 2.67Å
113W73.9Confident70.3Confident150 Ų15096.8 Ų96.857%0.56844%0.436SS*.Hα-helixtrans-64.8-42.2176.3-172.7-100.1000111.6F109 Y110 M115 L116 T117F109-W113 HydrophobicContact CE1-CB 4.46Å; F109-W113 HydrophobicContact CZ-CE3 4.34Å; F109-W113 VanDerWaalsContact O-CB 3.24Å; F109-W113 WeakPolarHBondContact O-CB 3.5Å; F109-W113 PolarHBondContact O-N 3.37Å; Y110-W113 PolarHBondContact O-N 3.1Å; W113-M115 VanDerWaalsContact C-N 3.34Å; W113-M115 PolarHBondContact O-N 2.5Å; W113-L116 PolarHBondContact O-N 3.35Å; W113-T117 HydrophobicContact CD2-CG2 4.48Å; W113-T117 HydrophobicContact CG-CG2 4.49Å; W113-T117 HydrophobicContact CZ2-CG2 4.42Å; W113-T117 WeakPolarHBondContact O-CB 3.15Å; W113-T117 WeakPolarHBondContact O-CG2 3.27Å; W113-T117 PolarHBondContact O-N 2.88Å; W113-T117 PolarHBondContact O-OG1 3.37Å
114H71.3Confident68.7Low54 Ų5499.3 Ų99.325%0.2545%0.453CS..Hα-helixtrans-61.4-42.6174.8-166.4-98.8000111.6E93 Y110 W111 T117 K118E93-H114 IonicContact OE1-CE1 3.92Å; E93-H114 PolarHBondContact OE1-CE1 3.39Å; E93-H114 IonicContact OE1-ND1 3.92Å; E93-H114 IonicContact OE1-NE2 3.59Å; Y110-H114 VanDerWaalsContact O-CB 3.28Å; Y110-H114 WeakPolarHBondContact O-CB 3.33Å; Y110-H114 PolarHBondContact O-N 3.18Å; W111-H114 PolarHBondContact O-N 2.67Å; H114-T117 WeakPolarHBondContact CA-OG1 3.49Å; H114-T117 PolarHBondContact O-OG1 3.01Å; H114-K118 WeakPolarHBondContact O-CB 3.49Å; H114-K118 PolarHBondContact O-N 3.43Å
115M76.4Confident67.2Low94 Ų9499.8 Ų99.846%0.46346%0.464SS..Hα-helixtrans-62.2-47.6173.5-178.3-171.170.300112W111 F112 W113 K118 L119W111-M115 WeakPolarHBondContact O-CB 3.28Å; W111-M115 PolarHBondContact O-N 2.97Å; F112-M115 HydrophobicContact CD2-CE 3.73Å; F112-M115 HydrophobicContact CE2-CE 4.01Å; F112-M115 WeakPolarHBondContact O-CB 3.38Å; F112-M115 PolarHBondContact O-N 3.24Å; W113-M115 VanDerWaalsContact C-N 3.34Å; W113-M115 PolarHBondContact O-N 2.5Å; M115-K118 PolarHBondContact O-N 2.48Å; M115-L119 HydrophobicContact CG-CD1 4.06Å; M115-L119 WeakPolarHBondContact O-CB 3.39Å; M115-L119 WeakPolarHBondContact O-CG 3.39Å; M115-L119 PolarHBondContact O-N 2.75Å
116L74.7Confident65.6Low57 Ų57102.5 Ų102.530%0.29847%0.474SS..Hα-helixtrans-62-49.9178.8-81.7177.6000112.5F112 W113 K118 L119 L120F112-L116 HydrophobicContact CD1-CD1 3.82Å; F112-L116 HydrophobicContact CD1-CG 4.46Å; F112-L116 HydrophobicContact CE1-CD1 3.22Å; F112-L116 HydrophobicContact CE1-CG 4.08Å; F112-L116 HydrophobicContact CE2-CD1 4.25Å; F112-L116 HydrophobicContact CE2-CG 4.29Å; F112-L116 HydrophobicContact CZ-CD1 3.48Å; F112-L116 VanDerWaalsContact CZ-CD1 3.48Å; F112-L116 HydrophobicContact CZ-CD2 4.38Å; F112-L116 HydrophobicContact CZ-CG 3.97Å; F112-L116 WeakPolarHBondContact O-CB 3.49Å; F112-L116 WeakPolarHBondContact O-CG 3.35Å; F112-L116 PolarHBondContact O-N 2.67Å; W113-L116 PolarHBondContact O-N 3.35Å; L116-K118 VanDerWaalsContact C-N 3.3Å; L116-K118 PolarHBondContact O-N 3.47Å; L116-L119 PolarHBondContact O-N 2.68Å; L116-L120 WeakPolarHBondContact O-CG 3.21Å; L116-L120 PolarHBondContact O-N 3.27Å
117T71.2Confident64.2Low38 Ų38102.7 Ų102.723%0.23350%0.497CS..Hα-helixtrans-57.1-47.7175.548.50000110W113 H114 L119 L120 H121W113-T117 HydrophobicContact CD2-CG2 4.48Å; W113-T117 HydrophobicContact CG-CG2 4.49Å; W113-T117 HydrophobicContact CZ2-CG2 4.42Å; W113-T117 WeakPolarHBondContact O-CB 3.15Å; W113-T117 WeakPolarHBondContact O-CG2 3.27Å; W113-T117 PolarHBondContact O-N 2.88Å; W113-T117 PolarHBondContact O-OG1 3.37Å; H114-T117 WeakPolarHBondContact CA-OG1 3.49Å; H114-T117 PolarHBondContact O-OG1 3.01Å; T117-L119 PolarHBondContact O-N 3.02Å; T117-L120 PolarHBondContact O-N 3.22Å; T117-H121 PolarHBondContact O-N 3.16Å; T117-H121 PolarHBondContact O-ND1 3.17Å
118K66.1Low63Low72 Ų72107.6 Ų107.631%0.31352%0.523SS..Hα-helixtrans-57.3-45.9175.9-156.8-172.7-177169.40112.1H114 M115 L116 L120 H121 L122H114-K118 WeakPolarHBondContact O-CB 3.49Å; H114-K118 PolarHBondContact O-N 3.43Å; M115-K118 PolarHBondContact O-N 2.48Å; L116-K118 VanDerWaalsContact C-N 3.3Å; L116-K118 PolarHBondContact O-N 3.47Å; K118-L120 PolarHBondContact O-N 3.22Å; K118-H121 CarbonylContact O-C 3.53Å; K118-H121 PolarHBondContact O-N 2.99Å; K118-L122 HydrophobicContact CB-CD1 4.44Å; K118-L122 HydrophobicContact CD-CD1 4.05Å; K118-L122 HydrophobicContact CG-CD1 3.61Å; K118-L122 HydrophobicContact CG-CG 4.15Å; K118-L122 WeakPolarHBondContact O-CB 3.38Å; K118-L122 WeakPolarHBondContact O-CG 3.48Å; K118-L122 PolarHBondContact O-N 3.14Å
119L70Confident61.8Low102 Ų102109.4 Ų109.453%0.53454%0.539SS..Hα-helixtrans-61.1-40.6176.4-76.3166.5000113M115 L116 T117 H121 L122M115-L119 HydrophobicContact CG-CD1 4.06Å; M115-L119 WeakPolarHBondContact O-CB 3.39Å; M115-L119 WeakPolarHBondContact O-CG 3.39Å; M115-L119 PolarHBondContact O-N 2.75Å; L116-L119 PolarHBondContact O-N 2.68Å; T117-L119 PolarHBondContact O-N 3.02Å; L119-H121 VanDerWaalsContact C-N 3.32Å; L119-H121 PolarHBondContact O-N 3.2Å; L119-L122 PolarHBondContact O-N 3.38Å
120L70.2Confident60.8Low135 Ų135107.9 Ų107.971%0.70753%0.532SS*.Hα-helixtrans-65.8-34.9176.4-71.5168.3000112.1L116 T117 K118L116-L120 WeakPolarHBondContact O-CG 3.21Å; L116-L120 PolarHBondContact O-N 3.27Å; T117-L120 PolarHBondContact O-N 3.22Å; K118-L120 PolarHBondContact O-N 3.22Å
121H62.4Low60.1Low155 Ų155107.8 Ų107.872%0.71854%0.544SS*.Hα-helixtrans-82.8-23.5175.2-64.376000112.6T117 K118 L119 R123T117-H121 PolarHBondContact O-N 3.16Å; T117-H121 PolarHBondContact O-ND1 3.17Å; K118-H121 CarbonylContact O-C 3.53Å; K118-H121 PolarHBondContact O-N 2.99Å; L119-H121 VanDerWaalsContact C-N 3.32Å; L119-H121 PolarHBondContact O-N 3.2Å; H121-R123 VanDerWaalsContact C-N 3.28Å; H121-R123 PolarHBondContact O-N 3.2Å
122L51.2Low60.7Low65 Ų65106.7 Ų106.734%0.3456%0.556SS.*  trans-86.421.6179.5-78.3171.8000113.5K118 L119 S124 S125K118-L122 HydrophobicContact CB-CD1 4.44Å; K118-L122 HydrophobicContact CD-CD1 4.05Å; K118-L122 HydrophobicContact CG-CD1 3.61Å; K118-L122 HydrophobicContact CG-CG 4.15Å; K118-L122 WeakPolarHBondContact O-CB 3.38Å; K118-L122 WeakPolarHBondContact O-CG 3.48Å; K118-L122 PolarHBondContact O-N 3.14Å; L119-L122 PolarHBondContact O-N 3.38Å; L122-S124 PolarHBondContact O-N 3.12Å; L122-S125 PolarHBondContact O-N 2.85Å
123R47.8Very low61.3Low243 Ų243103.4 Ų103.492%0.91754%0.543SS*.THydrogen-bonded Turntrans-627.9170.8-113.7-175.4-180-171.9-0114.2H121H121-R123 VanDerWaalsContact C-N 3.28Å; H121-R123 PolarHBondContact O-N 3.2Å
124S42.6Very low62.2Low106 Ų106100 Ų10074%0.74153%0.533SS*.THydrogen-bonded Turntrans-146.668171.859.80000112.1L122L122-S124 PolarHBondContact O-N 3.12Å
125S45Very low63.4Low62 Ų6298.8 Ų98.843%0.43453%0.53SS..  trans-170.194.4145.565.50000110.8L122L122-S125 PolarHBondContact O-N 2.85Å
126E38.7Very low64.4Low207 Ų20796.7 Ų96.797%0.96752%0.517SS*.THydrogen-bonded Turntrans-69.1128.4159.3-73.6173.2148.600108.3
127G44.1Very low65.5Low73 Ų7394.1 Ų94.175%0.75350%0.504SS*.THydrogen-bonded Turntrans135.1-13.5168.100000117.3E129G127-E129 PolarHBondContact O-N 3.36Å
128D46.1Very low66.8Low105 Ų10594.3 Ų94.356%0.56150%0.5SS*.  trans-86.374.6-177.2-96.110.7000111.7K130D128-K130 HydrophobicContact CB-CG 3.85Å; D128-K130 PolarHBondContact O-N 3.46Å; D128-K130 IonicContact OD2-NZ 2.67Å; D128-K130 PolarHBondContact OD2-NZ 3.3Å
129E49.3Very low68.3Low195 Ų19591.3 Ų91.391%0.91149%0.487SS*.  trans-62.181.1149.8-86.1-171.5161.900106.8G127 A131G127-E129 PolarHBondContact O-N 3.36Å; E129-A131 PolarHBondContact O-N 3.38Å
130K55.2Low69.7Low89 Ų8986.5 Ų86.539%0.38746%0.462SS..  trans-61.5112.9-169.4-68.6-172.6-175.8-73.70109D128D128-K130 HydrophobicContact CB-CG 3.85Å; D128-K130 PolarHBondContact O-N 3.46Å; D128-K130 IonicContact OD2-NZ 2.67Å; D128-K130 PolarHBondContact OD2-NZ 3.3Å
131A60.3Low71Confident62 Ų6281.1 Ų81.151%0.51243%0.433SS..  trans-42.9141.3175.200000111.5R89 E129R89-A131 PolarHBondContact NH2-O 3Å; E129-A131 PolarHBondContact O-N 3.38Å
132A80.6Confident72.7Confident76 Ų7673.7 Ų73.763%0.62840%0.399SS*.  trans-56.5142175.200000110E134A132-E134 HydrophobicContact CB-CG 4.34Å; A132-E134 PolarHBondContact O-N 2.77Å; A132-E134 VanDerWaalsContact O-N 3.11Å
133I89.7Confident74.9Confident31 Ų3170.7 Ų70.716%0.15938%0.383CS..  trans-73.4105.3173.3-57.9174.6000106.9H82 A86 E93 R94H82-I133 WeakPolarHBondContact CE1-CG2 3.45Å; H82-I133 WeakPolarHBondContact NE2-CG2 3.24Å; A86-I133 HydrophobicContact CB-CG1 4.34Å; A86-I133 HydrophobicContact CB-CG2 4.29Å; E93-I133 WeakPolarHBondContact O-CD1 3.33Å; R94-I133 HydrophobicContact CG-CD1 4.36Å
134E94Very high77.2Confident79 Ų7960.8 Ų60.837%0.36935%0.348SS..SBendtrans-125146.1176-69.9-67.3169.300110.4R56 H82 A132 R136R56-E134 IonicContact NH1-OE1 3.5Å; R56-E134 PolarHBondContact NH1-OE1 3Å; R56-E134 IonicContact NH1-OE2 3.42Å; H82-E134 PolarHBondContact CD2-O 2.65Å; H82-E134 VanDerWaalsContact CD2-O 3.3Å; A132-E134 HydrophobicContact CB-CG 4.34Å; A132-E134 PolarHBondContact O-N 2.77Å; A132-E134 VanDerWaalsContact O-N 3.11Å; E134-R136 PolarHBondContact OE2-N 3.39Å
135P96.5Very high79.8Confident29 Ų2961.2 Ų61.219%0.18834%0.338CS..SBendcis-65.2151.9-928-35.1000112.3S58 I60 C81 H82 M137S58-P135 WeakPolarHBondContact O-CB 3.47Å; I60-P135 HydrophobicContact CD1-CB 4.48Å; I60-P135 HydrophobicContact CD1-CG 3.82Å; C81-P135 HydrophobicContact CB-CG 3.85Å; C81-P135 WeakPolarHBondContact O-CD 3.35Å; H82-P135 PolarHBondContact NE2-O 3.21Å; P135-M137 HydrophobicContact CG-CE 4.12Å; P135-M137 PolarHBondContact O-N 3.46Å
136R97.2Very high82.2Confident49 Ų4959.2 Ų59.219%0.18532%0.323CS..  trans-60.2131.1172.6-52.7-171.8-60.8-179.23.2109.9E54 R56 D59 I60 E134E54-R136 PolarHBondContact O-NH2 3.33Å; R56-R136 VanDerWaalsContact CG-NH2 3.32Å; D59-R136 WeakPolarHBondContact CA-O 3.2Å; D59-R136 WeakPolarHBondContact OD1-CB 3.2Å; D59-R136 IonicContact OD1-CZ 3.27Å; D59-R136 IonicContact OD1-NE 3.19Å; D59-R136 PolarHBondContact OD1-NE 2.66Å; D59-R136 IonicContact OD1-NH2 3.35Å; D59-R136 PolarHBondContact OD1-NH2 3.23Å; D59-R136 IonicContact OD2-CZ 2.75Å; D59-R136 IonicContact OD2-NE 2.68Å; D59-R136 IonicContact OD2-NH2 2.67Å; D59-R136 PolarHBondContact OD2-NH2 2.89Å; I60-R136 PolarHBondContact N-O 3.25Å; E134-R136 PolarHBondContact OE2-N 3.39Å
137M98.1Very high85Confident4 Ų449.7 Ų49.72%0.0228%0.278CS..EExtended strand (participates in β ladder)trans-122.3149.3175.8-60.5-173176.200110.9I60 V77 C81 V95 P96 P135I60-M137 HydrophobicContact CB-CG 4.24Å; I60-M137 HydrophobicContact CD1-CE 3.8Å; I60-M137 CarbonylContact O-C 3.55Å; I60-M137 VanDerWaalsContact O-CA 3.25Å; I60-M137 WeakPolarHBondContact O-CA 3.42Å; V77-M137 HydrophobicContact CG1-CE 3.7Å; V77-M137 HydrophobicContact CG1-SD 3.98Å; C81-M137 HydrophobicContact CB-CE 3.36Å; V95-M137 HydrophobicContact CB-CB 4.44Å; V95-M137 HydrophobicContact CG1-CB 4.27Å; V95-M137 HydrophobicContact CG2-CB 3.98Å; V95-M137 HydrophobicContact CG2-SD 4.06Å; P96-M137 VanDerWaalsContact CD-O 3.26Å; P96-M137 WeakPolarHBondContact CD-O 2.84Å; P135-M137 HydrophobicContact CG-CE 4.12Å; P135-M137 PolarHBondContact O-N 3.46Å
138W97.9Very high87.5Confident42 Ų4246.2 Ų46.216%0.15924%0.243CC..EExtended strand (participates in β ladder)trans-137.6148.2174.8-56.489.9000109.2F53 I60 I61 I62 P96 L98F53-W138 HydrophobicContact CE1-CZ2 4.48Å; F53-W138 HydrophobicContact CZ-CH2 4.29Å; F53-W138 AromaticContact CZ-CZ2 3.71Å; F53-W138 HydrophobicContact CZ-CZ2 3.71Å; I60-W138 PolarHBondContact O-N 3.16Å; I61-W138 CarbonylContact C-O 3.41Å; I61-W138 WeakPolarHBondContact CA-O 3.45Å; I62-W138 PolarHBondContact N-O 3.14Å; P96-W138 HydrophobicContact CB-CE3 3.97Å; P96-W138 HydrophobicContact CB-CZ3 3.79Å; P96-W138 HydrophobicContact CG-CD2 4.13Å; P96-W138 HydrophobicContact CG-CE3 3.5Å; P96-W138 HydrophobicContact CG-CH2 3.99Å; P96-W138 HydrophobicContact CG-CZ3 3.43Å; P96-W138 VanDerWaalsContact CG-CZ3 3.43Å; P96-W138 WeakPolarHBondContact O-CA 3.27Å; L98-W138 HydrophobicContact CB-CB 4.19Å; L98-W138 HydrophobicContact CB-CE3 4.38Å; L98-W138 HydrophobicContact CD1-CB 4.33Å; L98-W138 HydrophobicContact CD1-CD2 3.87Å; L98-W138 HydrophobicContact CD1-CE3 3.89Å; L98-W138 HydrophobicContact CD1-CG 4.04Å
139F97.9Very high89.9Confident9 Ų948.3 Ų48.34%0.03925%0.246CC..EExtended strand (participates in β ladder)trans-109.3151.7159.382.7-90.3000110.7I62 T70 V95 P96 W97 L98 H141I62-F139 HydrophobicContact CB-CB 4.38Å; I62-F139 CarbonylContact O-C 3.55Å; I62-F139 WeakPolarHBondContact O-CA 3.41Å; I62-F139 WeakPolarHBondContact O-CB 3.34Å; T70-F139 HydrophobicContact CG2-CB 3.95Å; T70-F139 HydrophobicContact CG2-CD2 4.14Å; T70-F139 HydrophobicContact CG2-CG 4.28Å; V95-F139 HydrophobicContact CG1-CB 3.92Å; V95-F139 HydrophobicContact CG1-CD1 4.23Å; V95-F139 VanDerWaalsContact O-CD1 3.24Å; V95-F139 WeakPolarHBondContact O-CD1 3.34Å; P96-F139 PolarHBondContact O-N 3.29Å; W97-F139 VanDerWaalsContact CA-CE1 3.45Å; W97-F139 HydrophobicContact CB-CD1 4.32Å; W97-F139 HydrophobicContact CB-CE1 3.49Å; W97-F139 VanDerWaalsContact CB-CE1 3.49Å; W97-F139 HydrophobicContact CB-CE2 3.97Å; W97-F139 HydrophobicContact CB-CZ 3.27Å; W97-F139 AromaticContact CD1-CE2 3.45Å; W97-F139 VanDerWaalsContact CD1-CE2 3.45Å; W97-F139 AromaticContact CD1-CZ 3.72Å; W97-F139 HydrophobicContact CD2-CE2 4.19Å; W97-F139 HydrophobicContact CD2-CZ 4.01Å; W97-F139 HydrophobicContact CG-CD2 4.48Å; W97-F139 HydrophobicContact CG-CE1 4.08Å; W97-F139 AromaticContact CG-CE2 3.6Å; W97-F139 HydrophobicContact CG-CE2 3.6Å; W97-F139 AromaticContact CG-CZ 3.36Å; W97-F139 HydrophobicContact CG-CZ 3.36Å; W97-F139 AromaticContact NE1-CE2 3.97Å; L98-F139 WeakPolarHBondContact CB-O 3.15Å; L98-F139 PolarHBondContact N-O 3.19Å; F139-H141 AromaticContact CD2-NE2 3.89Å; F139-H141 AromaticContact CE2-NE2 3.68Å
140S98.2Very high92.1Very high0 Ų040.4 Ų40.40%021%0.212CC..EExtended strand (participates in β ladder)trans-147.1155.8178.4-173.30000111.7I62 L63 S64 E99 L142I62-S140 PolarHBondContact O-N 2.71Å; L63-S140 WeakPolarHBondContact CD1-O 3.27Å; S64-S140 PolarHBondContact N-O 3.42Å; E99-S140 WeakPolarHBondContact OE2-CA 3Å; E99-S140 VanDerWaalsContact OE2-CB 3.26Å; E99-S140 WeakPolarHBondContact OE2-CB 3.35Å; E99-S140 PolarHBondContact OE2-OG 2.88Å; S140-L142 WeakPolarHBondContact OG-CG 3.34Å; S140-L142 PolarHBondContact OG-N 3.45Å
141H97.7Very high94.1Very high22 Ų2236.2 Ų36.210%0.10219%0.194CC..  trans-123.420.5171.4-59.9-51.8000111.7S64 P66 T70 E99 F139 C203 H209S64-H141 WeakPolarHBondContact O-CA 3.42Å; S64-H141 PolarHBondContact O-ND1 3.46Å; P66-H141 HydrophobicContact CG-CB 3.95Å; T70-H141 PolarHBondContact OG1-CE1 3.36Å; E99-H141 PolarHBondContact OE1-N 2.8Å; F139-H141 AromaticContact CD2-NE2 3.89Å; F139-H141 AromaticContact CE2-NE2 3.68Å; H141-C203 VanDerWaalsContact CB-SG 3.53Å; H141-C203 PolarHBondContact O-SG 2.73Å; H141-H209 PolarHBondContact O-NE2 3.43Å
142L97.9Very high95.9Very high0 Ų035.8 Ų35.80%018%0.183CC..  trans-68.5132.9179.8-69.9-177.5000111.2W37 M47 L50 E99 S140 L146 M147 H209 Y213W37-L142 HydrophobicContact CH2-CD2 3.55Å; W37-L142 HydrophobicContact CZ2-CD2 4.29Å; W37-L142 HydrophobicContact CZ3-CD2 4.1Å; M47-L142 HydrophobicContact CE-CD1 4.25Å; M47-L142 HydrophobicContact CE-CD2 3.25Å; M47-L142 HydrophobicContact CE-CG 4.36Å; M47-L142 HydrophobicContact SD-CD2 3.76Å; L50-L142 HydrophobicContact CD1-CD1 3.83Å; E99-L142 HydrophobicContact CB-CD1 4.26Å; E99-L142 HydrophobicContact CB-CD2 3.85Å; E99-L142 HydrophobicContact CB-CG 4.11Å; E99-L142 HydrophobicContact CG-CD2 3.83Å; E99-L142 HydrophobicContact CG-CG 4.15Å; S140-L142 WeakPolarHBondContact OG-CG 3.34Å; S140-L142 PolarHBondContact OG-N 3.45Å; L142-L146 HydrophobicContact CB-CB 4.47Å; L142-L146 HydrophobicContact CD2-CB 4.46Å; L142-M147 HydrophobicContact CB-CE 3.71Å; L142-M147 HydrophobicContact CD1-CE 4.49Å; L142-H209 PolarHBondContact O-NE2 3.22Å; L142-Y213 WeakPolarHBondContact O-CE2 3.37Å; L142-Y213 PolarHBondContact O-OH 3.01Å
143P97.7Very high96.6Very high1 Ų139.4 Ų39.41%0.00619%0.186CC..  trans-54.3152.3162.7-22.432.5000111.7Y35 E145 L146 M147Y35-P143 HydrophobicContact CD1-CG 3.71Å; Y35-P143 HydrophobicContact CD2-CG 4.11Å; Y35-P143 HydrophobicContact CE1-CB 3.89Å; Y35-P143 HydrophobicContact CE1-CG 3.28Å; Y35-P143 HydrophobicContact CE2-CB 3.88Å; Y35-P143 HydrophobicContact CE2-CG 3.76Å; Y35-P143 HydrophobicContact CG-CG 4.1Å; Y35-P143 VanDerWaalsContact CZ-CB 3.44Å; Y35-P143 WeakPolarHBondContact OH-CB 3.33Å; P143-E145 VanDerWaalsContact C-N 3.29Å; P143-E145 HydrophobicContact CB-CG 4.46Å; P143-E145 WeakPolarHBondContact CB-OE2 3.44Å; P143-E145 PolarHBondContact O-N 2.82Å; P143-L146 HydrophobicContact CG-CD1 4.44Å; P143-L146 PolarHBondContact O-N 3.01Å; P143-M147 PolarHBondContact O-N 3.18Å
144L97.5Very high96.9Very high35 Ų3538.3 Ų38.318%0.18318%0.183CC..G310 helixtrans-56.3-41.6-172.317562.2000112.9L146 M147 I152 Y213 L216L144-L146 PolarHBondContact O-N 2.81Å; L144-M147 VanDerWaalsContact O-CB 3.31Å; L144-M147 WeakPolarHBondContact O-CB 3.46Å; L144-M147 PolarHBondContact O-N 3.22Å; L144-M147 VanDerWaalsContact O-N 3.08Å; L144-I152 HydrophobicContact CD1-CD1 4.05Å; L144-I152 HydrophobicContact CD1-CG1 3.97Å; L144-I152 WeakPolarHBondContact O-CD1 3.49Å; L144-Y213 WeakPolarHBondContact CA-OH 3.3Å; L144-Y213 HydrophobicContact CB-CE1 4.1Å; L144-Y213 HydrophobicContact CB-CE2 4.17Å; L144-Y213 HydrophobicContact CD1-CD1 4.03Å; L144-Y213 HydrophobicContact CD1-CE1 3.53Å; L144-Y213 HydrophobicContact CG-CE1 4.4Å; L144-Y213 PolarHBondContact N-OH 3.37Å; L144-L216 HydrophobicContact CD1-CD2 3.55Å
145E95.5Very high97.1Very high116 Ų11638.9 Ų38.954%0.54219%0.185SC..G310 helixtrans-65.1-17.818062.3-94.9-123.700114.1Y35 P143Y35-E145 HydrophobicContact CE2-CG 4.13Å; Y35-E145 WeakPolarHBondContact CE2-OE1 3.39Å; Y35-E145 VanDerWaalsContact CZ-OE1 3.23Å; Y35-E145 PolarHBondContact OH-OE1 3.31Å; Y35-E145 PolarHBondContact OH-OE2 3.44Å; P143-E145 VanDerWaalsContact C-N 3.29Å; P143-E145 HydrophobicContact CB-CG 4.46Å; P143-E145 WeakPolarHBondContact CB-OE2 3.44Å; P143-E145 PolarHBondContact O-N 2.82Å
146L96.5Very high97.2Very high20 Ų2037.6 Ų37.611%0.10518%0.176CC..G310 helixtrans-102.5-6.3177-72175.2000112.5Y32 A33 Y35 W37 M47 L142 P143 L144Y32-L146 HydrophobicContact CD1-CD2 4.12Å; Y32-L146 HydrophobicContact CE1-CD2 3.63Å; A33-L146 HydrophobicContact CB-CD1 4.21Å; A33-L146 HydrophobicContact CB-CD2 3.62Å; A33-L146 HydrophobicContact CB-CG 4.18Å; Y35-L146 HydrophobicContact CD2-CD1 3.79Å; Y35-L146 HydrophobicContact CE2-CD1 4.25Å; W37-L146 HydrophobicContact CH2-CD1 4.42Å; W37-L146 HydrophobicContact CZ2-CD1 3.53Å; M47-L146 HydrophobicContact CE-CB 3.94Å; M47-L146 HydrophobicContact CE-CD1 3.75Å; M47-L146 HydrophobicContact CE-CD2 4.11Å; M47-L146 HydrophobicContact CE-CG 4.16Å; L142-L146 HydrophobicContact CB-CB 4.47Å; L142-L146 HydrophobicContact CD2-CB 4.46Å; P143-L146 HydrophobicContact CG-CD1 4.44Å; P143-L146 PolarHBondContact O-N 3.01Å; L144-L146 PolarHBondContact O-N 2.81Å
147M97.4Very high97.2Very high6 Ų637.5 Ų37.53%0.0318%0.177CC..SBendtrans-69.2135.6175.5-167.755.657.500109.9L63 L142 P143 L144 K149 V151 I152 Y213L63-M147 HydrophobicContact CD1-CE 3.35Å; L63-M147 HydrophobicContact CD2-CE 3.83Å; L63-M147 HydrophobicContact CG-CE 4.26Å; L142-M147 HydrophobicContact CB-CE 3.71Å; L142-M147 HydrophobicContact CD1-CE 4.49Å; P143-M147 PolarHBondContact O-N 3.18Å; L144-M147 VanDerWaalsContact O-CB 3.31Å; L144-M147 WeakPolarHBondContact O-CB 3.46Å; L144-M147 PolarHBondContact O-N 3.22Å; L144-M147 VanDerWaalsContact O-N 3.08Å; M147-K149 PolarHBondContact O-N 3.2Å; M147-V151 HydrophobicContact CG-CB 3.91Å; M147-V151 HydrophobicContact CG-CG1 3.81Å; M147-V151 HydrophobicContact SD-CB 4.24Å; M147-V151 HydrophobicContact SD-CG1 3.98Å; M147-V151 HydrophobicContact SD-CG2 4.44Å; M147-I152 HydrophobicContact CB-CD1 4.17Å; M147-I152 HydrophobicContact CB-CG1 4.02Å; M147-I152 HydrophobicContact CG-CG1 4.17Å; M147-I152 WeakPolarHBondContact O-CD1 3.16Å; M147-Y213 WeakPolarHBondContact CE-OH 3.37Å
148P96.6Very high97.3Very high1 Ų137.3 Ų37.31%0.00618%0.176CC..  trans-57.7135.6178.4-30.339.9000112.4L50 F55 P150 V151 I152L50-P148 HydrophobicContact CB-CG 3.95Å; L50-P148 WeakPolarHBondContact O-CB 3.46Å; L50-P148 VanDerWaalsContact O-CG 3.27Å; L50-P148 WeakPolarHBondContact O-CG 3.49Å; F55-P148 HydrophobicContact CD2-CB 4.39Å; F55-P148 HydrophobicContact CE2-CB 3.57Å; F55-P148 HydrophobicContact CE2-CG 3.71Å; F55-P148 HydrophobicContact CZ-CB 4.32Å; F55-P148 HydrophobicContact CZ-CG 4.02Å; P148-P150 VanDerWaalsContact C-N 3.32Å; P148-V151 HydrophobicContact CB-CG2 4.4Å; P148-V151 WeakPolarHBondContact O-CB 3.3Å; P148-V151 PolarHBondContact O-N 3.33Å; P148-I152 PolarHBondContact O-N 3.01Å
149K96.1Very high97.3Very high148 Ų14835.3 Ų35.364%0.64317%0.168SC*.Hα-helixtrans-49-43.7-177.3-67.1-177.3179179.60114.2M147 V151 I152 E153M147-K149 PolarHBondContact O-N 3.2Å; K149-V151 PolarHBondContact O-N 3.18Å; K149-V151 VanDerWaalsContact O-N 3.16Å; K149-I152 WeakPolarHBondContact O-CB 3.27Å; K149-I152 PolarHBondContact O-N 3.38Å; K149-E153 WeakPolarHBondContact O-CB 3.43Å; K149-E153 WeakPolarHBondContact O-CG 3.34Å; K149-E153 PolarHBondContact O-N 3.33Å
150P96.1Very high97.4Very high30 Ų3034.9 Ų34.920%0.19517%0.166CC..Hα-helixtrans-58.2-33178.6-25.735.8000113.5F55 P148 G154 K155F55-P150 HydrophobicContact CD2-CB 4.49Å; P148-P150 VanDerWaalsContact C-N 3.32Å; P150-G154 PolarHBondContact O-N 3.04Å; P150-K155 HydrophobicContact CB-CB 3.95Å; P150-K155 HydrophobicContact CB-CD 3.71Å; P150-K155 HydrophobicContact CB-CG 4.47Å; P150-K155 WeakPolarHBondContact O-CB 3.42Å; P150-K155 PolarHBondContact O-N 3.06Å
151V97.1Very high97.4Very high1 Ų134.9 Ų34.91%0.00617%0.166CC..Hα-helixtrans-70.2-45.3176.8178.70000110.4F55 I61 M147 P148 K149 E153 G154 V158F55-V151 HydrophobicContact CD1-CG2 4.02Å; F55-V151 HydrophobicContact CD2-CG2 3.87Å; F55-V151 HydrophobicContact CE1-CG2 3.88Å; F55-V151 HydrophobicContact CE2-CG2 3.74Å; F55-V151 HydrophobicContact CG-CG2 4.01Å; F55-V151 HydrophobicContact CZ-CG2 3.74Å; I61-V151 HydrophobicContact CD1-CB 4.13Å; I61-V151 HydrophobicContact CD1-CG1 3.61Å; I61-V151 HydrophobicContact CD1-CG2 3.34Å; M147-V151 HydrophobicContact CG-CB 3.91Å; M147-V151 HydrophobicContact CG-CG1 3.81Å; M147-V151 HydrophobicContact SD-CB 4.24Å; M147-V151 HydrophobicContact SD-CG1 3.98Å; M147-V151 HydrophobicContact SD-CG2 4.44Å; P148-V151 HydrophobicContact CB-CG2 4.4Å; P148-V151 WeakPolarHBondContact O-CB 3.3Å; P148-V151 PolarHBondContact O-N 3.33Å; K149-V151 PolarHBondContact O-N 3.18Å; K149-V151 VanDerWaalsContact O-N 3.16Å; V151-E153 VanDerWaalsContact C-N 3.29Å; V151-E153 PolarHBondContact O-N 3.48Å; V151-G154 PolarHBondContact O-N 2.79Å; V151-V158 HydrophobicContact CG1-CG2 3.62Å
152I97Very high97.4Very high52 Ų5233.8 Ų33.827%0.26716%0.162SC..Hα-helixtrans-59.3-43176.9-59.8177.4000110.5L144 M147 P148 K149 G154 L216 N220L144-I152 HydrophobicContact CD1-CD1 4.05Å; L144-I152 HydrophobicContact CD1-CG1 3.97Å; L144-I152 WeakPolarHBondContact O-CD1 3.49Å; M147-I152 HydrophobicContact CB-CD1 4.17Å; M147-I152 HydrophobicContact CB-CG1 4.02Å; M147-I152 HydrophobicContact CG-CG1 4.17Å; M147-I152 WeakPolarHBondContact O-CD1 3.16Å; P148-I152 PolarHBondContact O-N 3.01Å; K149-I152 WeakPolarHBondContact O-CB 3.27Å; K149-I152 PolarHBondContact O-N 3.38Å; I152-G154 PolarHBondContact O-N 2.93Å; I152-L216 HydrophobicContact CG2-CD1 4.11Å; I152-L216 HydrophobicContact CG2-CD2 4.2Å; I152-N220 PolarHBondContact O-ND2 3.22Å
153E96.2Very high97.4Very high152 Ų15234.5 Ų34.571%0.7116%0.164SC*.THydrogen-bonded Turntrans-73.2-1.5178.4-68.1168.1178.400113.4K149 V151K149-E153 WeakPolarHBondContact O-CB 3.43Å; K149-E153 WeakPolarHBondContact O-CG 3.34Å; K149-E153 PolarHBondContact O-N 3.33Å; V151-E153 VanDerWaalsContact C-N 3.29Å; V151-E153 PolarHBondContact O-N 3.48Å
154G96.7Very high97.4Very high9 Ų934.4 Ų34.49%0.09316%0.164CC..THydrogen-bonded Turntrans79.928174.800000114.3P150 V151 I152 C156 N220 N222P150-G154 PolarHBondContact O-N 3.04Å; V151-G154 PolarHBondContact O-N 2.79Å; I152-G154 PolarHBondContact O-N 2.93Å; G154-C156 PolarHBondContact O-N 3.38Å; G154-N220 VanDerWaalsContact CA-ND2 3.29Å; G154-N220 WeakPolarHBondContact CA-ND2 3.42Å; G154-N220 PolarHBondContact N-ND2 3.4Å; G154-N222 PolarHBondContact O-ND2 2.79Å
155K97.4Very high97.5Very high91 Ų9132.8 Ų32.840%0.39616%0.155SC..SBendtrans-58.7-34.7175.4-173.1171-171.5-169.10112.5F55 P57 P150F55-K155 HydrophobicContact CB-CD 4.31Å; F55-K155 WeakPolarHBondContact O-CE 3.33Å; F55-K155 PolarHBondContact O-NZ 3.3Å; P57-K155 VanDerWaalsContact CA-O 3.29Å; P57-K155 WeakPolarHBondContact CA-O 3.33Å; P150-K155 HydrophobicContact CB-CB 3.95Å; P150-K155 HydrophobicContact CB-CD 3.71Å; P150-K155 HydrophobicContact CB-CG 4.47Å; P150-K155 WeakPolarHBondContact O-CB 3.42Å; P150-K155 PolarHBondContact O-N 3.06Å
156C98Very high97.6Very high1 Ų127.5 Ų27.51%0.00713%0.131CC..SBendtrans-136168.2-177.165.70000111R56 D59 G154R56-C156 VanDerWaalsContact O-CB 3.3Å; R56-C156 WeakPolarHBondContact O-CB 3.25Å; D59-C156 HydrophobicContact CB-CB 3.91Å; D59-C156 WeakPolarHBondContact O-CB 3.34Å; G154-C156 PolarHBondContact O-N 3.38Å
157K98.6Very high97.7Very high47 Ų4726.7 Ų26.720%0.20413%0.126CC..EExtended strand (participates in β ladder)trans-75.5138.9-178.9-66-174.5-174.1-174.40110.9D59 I60 I61 N222 F245 L246D59-K157 PolarHBondContact O-N 3.08Å; I60-K157 WeakPolarHBondContact CA-O 3.08Å; I60-K157 HydrophobicContact CG1-CB 4.3Å; I61-K157 PolarHBondContact N-O 3.18Å; K157-N222 CarbonylContact C-O 3.56Å; K157-N222 WeakPolarHBondContact CA-O 3.25Å; K157-F245 HydrophobicContact CB-CE1 3.98Å; K157-F245 HydrophobicContact CB-CZ 4.09Å; K157-F245 HydrophobicContact CD-CE1 4.3Å; K157-F245 WeakPolarHBondContact CE-O 3.31Å; K157-F245 HydrophobicContact CG-CE1 4.4Å; K157-F245 HydrophobicContact CG-CZ 4.34Å; K157-F245 PolarHBondContact NZ-O 3.13Å; K157-L246 HydrophobicContact CD-CD2 4.36Å; K157-L246 PolarHBondContact NZ-O 2.8Å
158V98.8Very high97.8Very high0 Ų026.4 Ų26.40%013%0.125CC..EExtended strand (participates in β ladder)trans-123.8126.3174.8-173.80000110.3I61 L63 V151 N222 M223 I224I61-V158 HydrophobicContact CB-CG2 4.33Å; I61-V158 CarbonylContact O-C 3.53Å; I61-V158 VanDerWaalsContact O-CA 3.32Å; I61-V158 WeakPolarHBondContact O-CA 3.38Å; L63-V158 HydrophobicContact CB-CG1 3.92Å; L63-V158 HydrophobicContact CD2-CG1 3.96Å; V151-V158 HydrophobicContact CG1-CG2 3.62Å; V158-N222 PolarHBondContact N-O 3Å; V158-M223 HydrophobicContact CB-CB 4.31Å; V158-M223 HydrophobicContact CB-CE 3.81Å; V158-M223 HydrophobicContact CB-CG 4.08Å; V158-M223 HydrophobicContact CG1-CE 3.78Å; V158-M223 HydrophobicContact CG1-CG 4.31Å; V158-M223 HydrophobicContact CG2-CE 4.04Å; V158-M223 CarbonylContact O-C 3.59Å; V158-M223 VanDerWaalsContact O-CA 3.31Å; V158-M223 WeakPolarHBondContact O-CA 3.33Å; V158-I224 PolarHBondContact O-N 2.8Å
159V98.9Very high97.8Very high0 Ų026.3 Ų26.30%012%0.124CC..EExtended strand (participates in β ladder)trans-105.4102170.1-176.30000107.4I60 I61 I62 L63 V73 V77 I224 V226 L242 F245 L246I60-V159 HydrophobicContact CG2-CG2 4.43Å; I61-V159 PolarHBondContact O-N 3.19Å; I62-V159 WeakPolarHBondContact CA-O 3.36Å; L63-V159 PolarHBondContact N-O 2.87Å; V73-V159 HydrophobicContact CG1-CG1 3.65Å; V77-V159 HydrophobicContact CG2-CG2 4.38Å; V159-I224 HydrophobicContact CB-CG2 4.24Å; V159-I224 HydrophobicContact CG1-CG2 4.1Å; V159-I224 HydrophobicContact CG2-CG2 3.97Å; V159-V226 HydrophobicContact CG1-CG2 3.84Å; V159-L242 HydrophobicContact CG1-CD2 3.78Å; V159-L242 HydrophobicContact CG2-CD2 4.12Å; V159-F245 HydrophobicContact CG2-CD1 4.34Å; V159-F245 HydrophobicContact CG2-CE1 3.98Å; V159-L246 HydrophobicContact CG2-CD2 4.39Å
160Y98.8Very high98Very high0 Ų019.3 Ų19.30%09%0.094CC..EExtended strand (participates in β ladder)trans-86.2125.3175.7-169.3-85000110.6L63 C162 H209 V210 Y213 I224 F225 V226L63-Y160 HydrophobicContact CB-CD2 3.93Å; L63-Y160 HydrophobicContact CD2-CD2 3.95Å; L63-Y160 HydrophobicContact CD2-CE2 4.43Å; L63-Y160 HydrophobicContact CG-CD2 3.73Å; L63-Y160 HydrophobicContact CG-CE2 4.02Å; L63-Y160 CarbonylContact O-C 3.52Å; L63-Y160 VanDerWaalsContact O-CA 3.23Å; L63-Y160 WeakPolarHBondContact O-CA 3.12Å; Y160-C162 HydrophobicContact CD1-CB 4.34Å; Y160-C162 HydrophobicContact CE1-CB 3.95Å; Y160-H209 AromaticContact CE2-CE1 3.78Å; Y160-H209 AromaticContact CE2-ND1 3.79Å; Y160-H209 AromaticContact CZ-ND1 3.7Å; Y160-H209 PolarHBondContact OH-CE1 3.32Å; Y160-H209 PolarHBondContact OH-ND1 2.65Å; Y160-V210 HydrophobicContact CE1-CG2 4.44Å; Y160-V210 WeakPolarHBondContact OH-CA 3.32Å; Y160-Y213 HydrophobicContact CD2-CD1 4.16Å; Y160-Y213 AromaticContact CD2-CD2 3.84Å; Y160-Y213 HydrophobicContact CD2-CD2 3.84Å; Y160-Y213 AromaticContact CD2-CG 3.57Å; Y160-Y213 HydrophobicContact CD2-CG 3.57Å; Y160-Y213 VanDerWaalsContact CE2-CB 3.48Å; Y160-Y213 HydrophobicContact CE2-CD1 4.32Å; Y160-Y213 AromaticContact CE2-CD2 3.17Å; Y160-Y213 HydrophobicContact CE2-CD2 3.17Å; Y160-Y213 AromaticContact CE2-CE2 3.95Å; Y160-Y213 HydrophobicContact CE2-CE2 3.95Å; Y160-Y213 AromaticContact CE2-CG 3.39Å; Y160-Y213 HydrophobicContact CE2-CG 3.39Å; Y160-Y213 AromaticContact CZ-CD2 3.92Å; Y160-I224 PolarHBondContact N-O 3.02Å; Y160-F225 HydrophobicContact CD1-CD1 4.23Å; Y160-F225 AromaticContact CD1-CD2 3.65Å; Y160-F225 HydrophobicContact CD1-CD2 3.65Å; Y160-F225 AromaticContact CD1-CE1 3.76Å; Y160-F225 HydrophobicContact CD1-CE1 3.76Å; Y160-F225 AromaticContact CD1-CE2 3.07Å; Y160-F225 HydrophobicContact CD1-CE2 3.07Å; Y160-F225 HydrophobicContact CD1-CG 4.2Å; Y160-F225 AromaticContact CD1-CZ 3.15Å; Y160-F225 HydrophobicContact CD1-CZ 3.15Å; Y160-F225 HydrophobicContact CD2-CE2 4.47Å; Y160-F225 AromaticContact CE1-CE1 3.96Å; Y160-F225 HydrophobicContact CE1-CE1 3.96Å; Y160-F225 AromaticContact CE1-CE2 3.62Å; Y160-F225 HydrophobicContact CE1-CE2 3.62Å; Y160-F225 AromaticContact CE1-CZ 3.26Å; Y160-F225 HydrophobicContact CE1-CZ 3.26Å; Y160-F225 AromaticContact CG-CD2 3.97Å; Y160-F225 HydrophobicContact CG-CD2 3.97Å; Y160-F225 AromaticContact CG-CE2 3.56Å; Y160-F225 HydrophobicContact CG-CE2 3.56Å; Y160-F225 HydrophobicContact CG-CZ 4.1Å; Y160-F225 CarbonylContact O-C 3.58Å; Y160-F225 WeakPolarHBondContact O-CA 3.37Å; Y160-V226 PolarHBondContact O-N 3Å
161V98.6Very high98Very high0 Ų018.5 Ų18.50%09%0.089CC..EExtended strand (participates in β ladder)trans-105.1126178-1610000109.4I62 L63 S64 S68 V73 V226 M231I62-V161 HydrophobicContact CG2-CG2 4.06Å; L63-V161 PolarHBondContact O-N 3.16Å; S64-V161 WeakPolarHBondContact CA-O 3.39Å; S64-V161 WeakPolarHBondContact CB-O 3.19Å; S68-V161 WeakPolarHBondContact O-CG1 3.34Å; V73-V161 HydrophobicContact CB-CG2 3.63Å; V73-V161 HydrophobicContact CG1-CG2 3.8Å; V73-V161 HydrophobicContact CG2-CB 4.3Å; V73-V161 HydrophobicContact CG2-CG1 3.73Å; V73-V161 HydrophobicContact CG2-CG2 3.53Å; V161-V226 WeakPolarHBondContact CA-O 3.14Å; V161-M231 HydrophobicContact CG1-CE 4.32Å
162C98.1Very high98.1Very high0 Ų018.4 Ų18.40%09%0.088CC..EExtended strand (participates in β ladder)trans-122.3160.3173.558.70000110.4Y160 F225 V226 K227 Y228 F324Y160-C162 HydrophobicContact CD1-CB 4.34Å; Y160-C162 HydrophobicContact CE1-CB 3.95Å; C162-F225 HydrophobicContact CB-CD1 4.26Å; C162-F225 HydrophobicContact CB-CE1 3.58Å; C162-F225 HydrophobicContact CB-CZ 4.27Å; C162-F225 WeakPolarHBondContact SG-CD1 3.44Å; C162-F225 WeakPolarHBondContact SG-CE1 3.49Å; C162-V226 PolarHBondContact N-O 3.49Å; C162-K227 CarbonylContact O-C 3.5Å; C162-K227 WeakPolarHBondContact O-CA 3.43Å; C162-K227 VanDerWaalsContact SG-CG 3.6Å; C162-Y228 WeakPolarHBondContact O-CB 3.44Å; C162-Y228 PolarHBondContact O-N 3.49Å; C162-F324 HydrophobicContact CB-CE1 3.72Å; C162-F324 HydrophobicContact CB-CZ 3.86Å; C162-F324 VanDerWaalsContact SG-CE1 3.58Å
163R98.4Very high98.1Very high14 Ų1417 Ų175%0.0538%0.08CC..  trans-147.6150.2178.1-178.8178.9-173.3174.35.4107.6D167 T168 W206 Y228 E229 E293R163-D167 IonicContact NH2-OD2 3.09Å; R163-T168 WeakPolarHBondContact CB-OG1 3.49Å; R163-T168 PolarHBondContact O-OG1 2.78Å; R163-W206 VanDerWaalsContact O-CZ2 3.29Å; R163-W206 WeakPolarHBondContact O-CZ2 3.4Å; R163-W206 PolarHBondContact O-NE1 2.92Å; R163-Y228 HydrophobicContact CB-CG 4.35Å; R163-Y228 HydrophobicContact CG-CD1 4.14Å; R163-Y228 HydrophobicContact CG-CG 3.97Å; R163-E229 WeakPolarHBondContact CG-OE1 3.31Å; R163-E293 PolarHBondContact NH2-O 3.35Å
164N98.1Very high98.2Very high0 Ų010.7 Ų10.70%05%0.05CC..  trans-49.7140.8174.680.680.5000110.6K166 D167 T168 E229 F324 F326N164-K166 VanDerWaalsContact C-N 3.34Å; N164-K166 PolarHBondContact O-N 3.49Å; N164-K166 PolarHBondContact OD1-N 3.22Å; N164-D167 PolarHBondContact ND2-OD2 2.75Å; N164-D167 WeakPolarHBondContact OD1-CB 3.49Å; N164-D167 PolarHBondContact OD1-N 3.36Å; N164-T168 WeakPolarHBondContact O-CB 3.38Å; N164-T168 PolarHBondContact O-N 2.88Å; N164-T168 VanDerWaalsContact O-N 3.07Å; N164-T168 PolarHBondContact O-OG1 3.39Å; N164-E229 PolarHBondContact N-OE1 2.86Å; N164-E229 PolarHBondContact N-OE2 3.31Å; N164-E229 PolarHBondContact ND2-OE1 3.19Å; N164-F324 HydrophobicContact CB-CB 3.91Å; N164-F324 HydrophobicContact CB-CD1 4.42Å; N164-F324 HydrophobicContact CB-CG 4.49Å; N164-F326 HydrophobicContact CB-CD1 4.09Å; N164-F326 HydrophobicContact CB-CE1 4.17Å
165P98.3Very high98.2Very high0 Ų011.1 Ų11.10%05%0.05CC..Hα-helixtrans-73.8-22.9-168.125.3-33.6000113.9A169 Y196 W206 F309 Y313 F326P165-A169 WeakPolarHBondContact O-CB 3.31Å; P165-A169 PolarHBondContact O-N 3.2Å; P165-Y196 PolarHBondContact O-OH 2.92Å; P165-W206 HydrophobicContact CB-CD2 3.61Å; P165-W206 HydrophobicContact CB-CE3 3.71Å; P165-W206 HydrophobicContact CB-CG 4.23Å; P165-W206 HydrophobicContact CB-CH2 3.93Å; P165-W206 HydrophobicContact CB-CZ2 3.8Å; P165-W206 HydrophobicContact CB-CZ3 3.87Å; P165-W206 HydrophobicContact CG-CD2 4.48Å; P165-W206 HydrophobicContact CG-CE3 4.22Å; P165-W206 HydrophobicContact CG-CH2 3.76Å; P165-W206 HydrophobicContact CG-CZ2 4Å; P165-W206 HydrophobicContact CG-CZ3 3.86Å; P165-F309 HydrophobicContact CB-CE1 4.15Å; P165-F309 HydrophobicContact CB-CZ 3.55Å; P165-F309 HydrophobicContact CG-CE1 3.66Å; P165-F309 HydrophobicContact CG-CZ 3.57Å; P165-Y313 HydrophobicContact CG-CD2 3.66Å; P165-Y313 HydrophobicContact CG-CE2 3.7Å; P165-F326 HydrophobicContact CG-CE1 3.89Å; P165-F326 HydrophobicContact CG-CZ 3.96Å
166K98.5Very high98.1Very high6 Ų66.8 Ų6.83%0.0263%0.031CC..Hα-helixtrans-73.5-45.4180-71.9-174-174.81750111.2N164 T168 A169 V170 W297 F301 S306 F309 D310 F326N164-K166 VanDerWaalsContact C-N 3.34Å; N164-K166 PolarHBondContact O-N 3.49Å; N164-K166 PolarHBondContact OD1-N 3.22Å; K166-T168 VanDerWaalsContact C-N 3.32Å; K166-A169 WeakPolarHBondContact O-CB 3.09Å; K166-A169 PolarHBondContact O-N 3.08Å; K166-V170 PolarHBondContact O-N 3.32Å; K166-W297 HydrophobicContact CB-CB 3.54Å; K166-W297 HydrophobicContact CB-CD2 3.91Å; K166-W297 HydrophobicContact CB-CE3 4.44Å; K166-W297 HydrophobicContact CB-CG 3.49Å; K166-W297 VanDerWaalsContact CB-CG 3.49Å; K166-W297 HydrophobicContact CD-CD2 3.57Å; K166-W297 HydrophobicContact CD-CE3 3.54Å; K166-W297 HydrophobicContact CD-CG 4.11Å; K166-W297 HydrophobicContact CD-CH2 4.21Å; K166-W297 HydrophobicContact CD-CZ2 4.24Å; K166-W297 HydrophobicContact CD-CZ3 3.87Å; K166-W297 HydrophobicContact CG-CD2 4.39Å; K166-W297 HydrophobicContact CG-CG 4.45Å; K166-F301 HydrophobicContact CB-CE1 4.46Å; K166-F301 HydrophobicContact CB-CE2 4.06Å; K166-F301 HydrophobicContact CB-CZ 3.9Å; K166-F301 HydrophobicContact CD-CD1 4.47Å; K166-F301 HydrophobicContact CD-CE1 4.24Å; K166-F301 HydrophobicContact CD-CZ 4.49Å; K166-F301 HydrophobicContact CG-CE1 3.88Å; K166-F301 HydrophobicContact CG-CE2 4.36Å; K166-F301 HydrophobicContact CG-CZ 3.78Å; K166-S306 PolarHBondContact NZ-OG 3.13Å; K166-F309 HydrophobicContact CD-CD1 4.23Å; K166-F309 HydrophobicContact CG-CD1 3.71Å; K166-F309 HydrophobicContact CG-CE1 3.85Å; K166-F309 HydrophobicContact CG-CG 4.31Å; K166-D310 WeakPolarHBondContact CE-OD1 3.49Å; K166-D310 VanDerWaalsContact NZ-CG 3.33Å; K166-D310 IonicContact NZ-OD1 3.45Å; K166-D310 PolarHBondContact NZ-OD1 2.84Å; K166-D310 IonicContact NZ-OD2 3.56Å; K166-D310 PolarHBondContact NZ-OD2 3.38Å; K166-F326 HydrophobicContact CB-CD1 4.04Å; K166-F326 HydrophobicContact CB-CE1 4.1Å; K166-F326 HydrophobicContact CD-CD1 3.87Å; K166-F326 HydrophobicContact CD-CE1 4Å; K166-F326 HydrophobicContact CG-CD1 3.96Å; K166-F326 HydrophobicContact CG-CE1 3.74Å
167D98.4Very high98.1Very high2 Ų210 Ų101%0.0114%0.043CC..Hα-helixtrans-68.9-34.3173.3-77.8-29.6000112.4R163 N164 A169 V170 S171 V294 G295 D296 W297R163-D167 IonicContact NH2-OD2 3.09Å; N164-D167 PolarHBondContact ND2-OD2 2.75Å; N164-D167 WeakPolarHBondContact OD1-CB 3.49Å; N164-D167 PolarHBondContact OD1-N 3.36Å; D167-A169 VanDerWaalsContact C-N 3.29Å; D167-A169 PolarHBondContact O-N 2.68Å; D167-V170 PolarHBondContact O-N 3.38Å; D167-S171 WeakPolarHBondContact O-CB 3.3Å; D167-S171 PolarHBondContact O-N 3.33Å; D167-V294 VanDerWaalsContact OD2-CA 3.31Å; D167-V294 WeakPolarHBondContact OD2-CA 3.49Å; D167-G295 PolarHBondContact OD1-N 2.87Å; D167-G295 PolarHBondContact OD2-N 2.8Å; D167-D296 PolarHBondContact OD1-N 2.92Å; D167-W297 VanDerWaalsContact OD1-CD1 3.29Å; D167-W297 PolarHBondContact OD1-N 3.17Å
168T98.4Very high97.8Very high0 Ų07.9 Ų7.90%03%0.034CC..Hα-helixtrans-58.6-45172.2-590000110Y65 R163 N164 K166 V170 S171 Y172Y65-T168 HydrophobicContact CD1-CG2 3.86Å; Y65-T168 HydrophobicContact CE1-CG2 4.32Å; R163-T168 WeakPolarHBondContact CB-OG1 3.49Å; R163-T168 PolarHBondContact O-OG1 2.78Å; N164-T168 WeakPolarHBondContact O-CB 3.38Å; N164-T168 PolarHBondContact O-N 2.88Å; N164-T168 VanDerWaalsContact O-N 3.07Å; N164-T168 PolarHBondContact O-OG1 3.39Å; K166-T168 VanDerWaalsContact C-N 3.32Å; T168-V170 PolarHBondContact O-N 3.08Å; T168-S171 PolarHBondContact O-N 3.16Å; T168-Y172 WeakPolarHBondContact O-CB 3.42Å; T168-Y172 PolarHBondContact O-N 3.06Å
169A98.5Very high97.6Very high0 Ų07.9 Ų7.90%03%0.034CC..Hα-helixtrans-56-49.4176.400000112.2P165 K166 D167 Y172 Y173 W189 F192 Y196 F301P165-A169 WeakPolarHBondContact O-CB 3.31Å; P165-A169 PolarHBondContact O-N 3.2Å; K166-A169 WeakPolarHBondContact O-CB 3.09Å; K166-A169 PolarHBondContact O-N 3.08Å; D167-A169 VanDerWaalsContact C-N 3.29Å; D167-A169 PolarHBondContact O-N 2.68Å; A169-Y172 PolarHBondContact O-N 2.84Å; A169-Y173 WeakPolarHBondContact O-CB 3.25Å; A169-Y173 PolarHBondContact O-N 3.34Å; A169-W189 HydrophobicContact CB-CH2 4.04Å; A169-F192 VanDerWaalsContact O-CE1 3.3Å; A169-F192 WeakPolarHBondContact O-CE1 3.36Å; A169-Y196 HydrophobicContact CB-CD1 3.6Å; A169-Y196 HydrophobicContact CB-CD2 4.43Å; A169-Y196 HydrophobicContact CB-CE1 3.41Å; A169-Y196 VanDerWaalsContact CB-CE1 3.41Å; A169-Y196 HydrophobicContact CB-CE2 4.27Å; A169-Y196 HydrophobicContact CB-CG 4.11Å; A169-F301 HydrophobicContact CB-CE2 4.24Å; A169-F301 HydrophobicContact CB-CZ 4.08Å
170V98.2Very high97.2Very high0 Ų012 Ų120%05%0.049CC..Hα-helixtrans-64.2-45.9179.4174.40000111.6K166 D167 T168 Y172 Y173 H174 W189 W297 Y300 F301K166-V170 PolarHBondContact O-N 3.32Å; D167-V170 PolarHBondContact O-N 3.38Å; T168-V170 PolarHBondContact O-N 3.08Å; V170-Y172 PolarHBondContact O-N 3.41Å; V170-Y173 PolarHBondContact O-N 3.02Å; V170-H174 PolarHBondContact O-CD2 2.91Å; V170-H174 PolarHBondContact O-N 3.36Å; V170-W189 HydrophobicContact CG2-CH2 3.87Å; V170-W189 HydrophobicContact CG2-CZ3 4.13Å; V170-W297 HydrophobicContact CG2-CB 4.21Å; V170-Y300 HydrophobicContact CB-CD2 4.2Å; V170-Y300 HydrophobicContact CB-CG 4.43Å; V170-Y300 HydrophobicContact CG1-CD1 4.26Å; V170-Y300 HydrophobicContact CG1-CD2 3.41Å; V170-Y300 VanDerWaalsContact CG1-CD2 3.41Å; V170-Y300 HydrophobicContact CG1-CE1 4.26Å; V170-Y300 HydrophobicContact CG1-CE2 3.42Å; V170-Y300 VanDerWaalsContact CG1-CE2 3.42Å; V170-Y300 HydrophobicContact CG1-CG 3.88Å; V170-Y300 HydrophobicContact CG2-CD2 3.65Å; V170-Y300 HydrophobicContact CG2-CG 3.68Å; V170-F301 HydrophobicContact CG2-CD2 4.43Å; V170-F301 HydrophobicContact CG2-CE2 4.15Å
171S97.7Very high96.8Very high13 Ų1312.4 Ų12.49%0.0915%0.051CC..Hα-helixtrans-61.7-35.8177.1-162.20000111.5K67 D167 T168 F175K67-S171 WeakPolarHBondContact CE-OG 3.28Å; D167-S171 WeakPolarHBondContact O-CB 3.3Å; D167-S171 PolarHBondContact O-N 3.33Å; T168-S171 PolarHBondContact O-N 3.16Å; S171-F175 WeakPolarHBondContact O-CB 3.4Å; S171-F175 PolarHBondContact O-N 2.9Å
172Y97.9Very high96.7Very high0 Ų012.4 Ų12.40%05%0.051CC..Hα-helixtrans-76.4-34-179.5-159.9-160000113.3Y65 P66 K67 T168 A169 V170 F175 H176 F192 Y196 I201 Y202Y65-Y172 AromaticContact CE1-CD1 3.78Å; Y65-Y172 HydrophobicContact CE1-CD1 3.78Å; Y65-Y172 AromaticContact CE1-CE1 3.64Å; Y65-Y172 HydrophobicContact CE1-CE1 3.64Å; Y65-Y172 AromaticContact CZ-CE1 3.83Å; Y65-Y172 WeakPolarHBondContact OH-CE1 3.35Å; P66-Y172 HydrophobicContact CB-CD2 4.03Å; P66-Y172 HydrophobicContact CB-CE1 4.32Å; P66-Y172 HydrophobicContact CB-CE2 3.48Å; P66-Y172 VanDerWaalsContact CB-CE2 3.48Å; P66-Y172 HydrophobicContact CG-CE2 4.16Å; K67-Y172 HydrophobicContact CG-CD2 3.88Å; K67-Y172 HydrophobicContact CG-CG 4.4Å; T168-Y172 WeakPolarHBondContact O-CB 3.42Å; T168-Y172 PolarHBondContact O-N 3.06Å; A169-Y172 PolarHBondContact O-N 2.84Å; V170-Y172 PolarHBondContact O-N 3.41Å; Y172-F175 HydrophobicContact CD2-CB 4.31Å; Y172-F175 AromaticContact CD2-CD1 3.92Å; Y172-F175 HydrophobicContact CD2-CD1 3.92Å; Y172-F175 AromaticContact CE2-CD1 3.93Å; Y172-F175 HydrophobicContact CE2-CD1 3.93Å; Y172-F175 PolarHBondContact O-N 2.67Å; Y172-H176 AromaticContact CD1-CE1 3.85Å; Y172-H176 AromaticContact CD2-CE1 3.45Å; Y172-H176 VanDerWaalsContact CD2-CE1 3.45Å; Y172-H176 WeakPolarHBondContact CD2-CE1 3.44Å; Y172-H176 AromaticContact CD2-ND1 3.36Å; Y172-H176 WeakPolarHBondContact CD2-ND1 3.35Å; Y172-H176 AromaticContact CE1-CE1 3.59Å; Y172-H176 AromaticContact CE2-CE1 3.15Å; Y172-H176 WeakPolarHBondContact CE2-CE1 3.19Å; Y172-H176 AromaticContact CE2-ND1 3.52Å; Y172-H176 AromaticContact CG-CE1 3.79Å; Y172-H176 AromaticContact CG-ND1 3.76Å; Y172-H176 AromaticContact CZ-CE1 3.25Å; Y172-H176 PolarHBondContact O-N 2.92Å; Y172-H176 PolarHBondContact O-ND1 3.43Å; Y172-F192 HydrophobicContact CD1-CZ 4.2Å; Y172-F192 HydrophobicContact CG-CZ 4.23Å; Y172-Y196 HydrophobicContact CD1-CD2 4.05Å; Y172-Y196 HydrophobicContact CD1-CE2 4.21Å; Y172-I201 HydrophobicContact CE1-CD1 4.39Å; Y172-I201 HydrophobicContact CE1-CG2 4.28Å; Y172-Y202 HydrophobicContact CE2-CD1 4.3Å; Y172-Y202 VanDerWaalsContact OH-C 3.32Å; Y172-Y202 WeakPolarHBondContact OH-CD1 2.98Å; Y172-Y202 PolarHBondContact OH-O 2.81Å
173Y98.2Very high96.4Very high21 Ų2113.8 Ų13.88%0.0827%0.066CC..Hα-helixtrans-58.3-53169.7167.9-116.6000111.7A169 V170 F175 H176 R177 I187 W189 F192 Y300A169-Y173 WeakPolarHBondContact O-CB 3.25Å; A169-Y173 PolarHBondContact O-N 3.34Å; V170-Y173 PolarHBondContact O-N 3.02Å; Y173-F175 VanDerWaalsContact C-N 3.26Å; Y173-F175 PolarHBondContact O-N 2.67Å; Y173-H176 WeakPolarHBondContact O-CB 3.34Å; Y173-H176 PolarHBondContact O-N 2.78Å; Y173-R177 HydrophobicContact CE2-CG 4.31Å; Y173-R177 WeakPolarHBondContact O-CG 3.44Å; Y173-R177 PolarHBondContact O-N 3.16Å; Y173-R177 VanDerWaalsContact O-N 3.12Å; Y173-I187 HydrophobicContact CD2-CG2 4.2Å; Y173-I187 HydrophobicContact CE2-CG2 3.98Å; Y173-I187 WeakPolarHBondContact CE2-O 3.43Å; Y173-I187 PolarHBondContact OH-O 2.92Å; Y173-W189 AromaticContact CD1-CE3 3.77Å; Y173-W189 HydrophobicContact CD1-CE3 3.77Å; Y173-W189 HydrophobicContact CD1-CZ3 4.31Å; Y173-W189 HydrophobicContact CD2-CE3 4.04Å; Y173-W189 HydrophobicContact CE1-CB 4.44Å; Y173-W189 HydrophobicContact CE1-CE3 4.3Å; Y173-W189 HydrophobicContact CE2-CB 4.27Å; Y173-W189 AromaticContact CG-CE3 3.61Å; Y173-W189 HydrophobicContact CG-CE3 3.61Å; Y173-W189 HydrophobicContact CG-CZ3 4.02Å; Y173-W189 PolarHBondContact OH-N 3.19Å; Y173-F192 HydrophobicContact CD2-CB 3.74Å; Y173-F192 HydrophobicContact CD2-CD1 4.1Å; Y173-F192 HydrophobicContact CD2-CD2 4.09Å; Y173-F192 AromaticContact CD2-CG 3.69Å; Y173-F192 HydrophobicContact CD2-CG 3.69Å; Y173-F192 HydrophobicContact CE2-CB 4.27Å; Y173-F192 HydrophobicContact CG-CD1 4.31Å; Y173-F192 HydrophobicContact CG-CG 4.32Å; Y173-F192 VanDerWaalsContact N-CZ 3.33Å; Y173-Y300 HydrophobicContact CD1-CD1 4.4Å; Y173-Y300 HydrophobicContact CD1-CE1 4.31Å; Y173-Y300 HydrophobicContact CE1-CD1 4.43Å; Y173-Y300 HydrophobicContact CE1-CE1 4.23Å
174H97.6Very high96.3Very high20 Ų2013.3 Ų13.39%0.0936%0.064CC..Hα-helixtrans-61.8-37.1176.5-77.8-70000112.3V170 R177 M178 Y300V170-H174 PolarHBondContact O-CD2 2.91Å; V170-H174 PolarHBondContact O-N 3.36Å; H174-R177 PolarHBondContact O-N 3.38Å; H174-M178 VanDerWaalsContact O-CG 3.27Å; H174-M178 WeakPolarHBondContact O-CG 3.35Å; H174-M178 PolarHBondContact O-N 2.8Å; H174-Y300 PolarHBondContact CE1-OH 3.25Å; H174-Y300 AromaticContact NE2-CE1 3.31Å; H174-Y300 VanDerWaalsContact NE2-CE1 3.31Å; H174-Y300 WeakPolarHBondContact NE2-CE1 2.98Å; H174-Y300 AromaticContact NE2-CZ 3.18Å; H174-Y300 PolarHBondContact NE2-OH 3.37Å
175F96.3Very high96Very high18 Ų1816.6 Ų16.68%0.0798%0.079CC..Hα-helixtrans-64.4-41.8175.2-176.6-108000112.7K67 S171 Y172 Y173 R177 M178 A179 F181 L182 F281 F288K67-F175 HydrophobicContact CD-CB 3.69Å; K67-F175 HydrophobicContact CD-CD1 4.26Å; K67-F175 HydrophobicContact CD-CD2 3.85Å; K67-F175 HydrophobicContact CD-CG 3.67Å; K67-F175 HydrophobicContact CG-CB 3.8Å; K67-F175 HydrophobicContact CG-CD1 4.34Å; K67-F175 HydrophobicContact CG-CG 4.05Å; S171-F175 WeakPolarHBondContact O-CB 3.4Å; S171-F175 PolarHBondContact O-N 2.9Å; Y172-F175 HydrophobicContact CD2-CB 4.31Å; Y172-F175 AromaticContact CD2-CD1 3.92Å; Y172-F175 HydrophobicContact CD2-CD1 3.92Å; Y172-F175 AromaticContact CE2-CD1 3.93Å; Y172-F175 HydrophobicContact CE2-CD1 3.93Å; Y172-F175 PolarHBondContact O-N 2.67Å; Y173-F175 VanDerWaalsContact C-N 3.26Å; Y173-F175 PolarHBondContact O-N 2.67Å; F175-R177 VanDerWaalsContact C-N 3.26Å; F175-R177 PolarHBondContact O-N 3.35Å; F175-M178 HydrophobicContact CD2-CG 4.38Å; F175-M178 HydrophobicContact CD2-SD 3.85Å; F175-M178 HydrophobicContact CE2-SD 4.16Å; F175-M178 PolarHBondContact O-N 3.47Å; F175-A179 HydrophobicContact CD1-CB 4.33Å; F175-A179 HydrophobicContact CD2-CB 4.32Å; F175-A179 HydrophobicContact CE1-CB 4.02Å; F175-A179 HydrophobicContact CE2-CB 4.01Å; F175-A179 HydrophobicContact CG-CB 4.5Å; F175-A179 HydrophobicContact CZ-CB 3.85Å; F175-A179 WeakPolarHBondContact O-CB 3.44Å; F175-A179 PolarHBondContact O-N 3.46Å; F175-F181 AromaticContact CE1-CZ 3.94Å; F175-F181 HydrophobicContact CE1-CZ 3.94Å; F175-F181 HydrophobicContact CZ-CE1 4.05Å; F175-F181 AromaticContact CZ-CZ 3.77Å; F175-F181 HydrophobicContact CZ-CZ 3.77Å; F175-L182 HydrophobicContact CD1-CD1 3.78Å; F175-L182 HydrophobicContact CE1-CD1 3.73Å; F175-F281 HydrophobicContact CE2-CD1 4.13Å; F175-F281 AromaticContact CE2-CE1 3.54Å; F175-F281 HydrophobicContact CE2-CE1 3.54Å; F175-F281 HydrophobicContact CE2-CZ 4.39Å; F175-F281 AromaticContact CZ-CE1 3.88Å; F175-F281 HydrophobicContact CZ-CE1 3.88Å; F175-F288 HydrophobicContact CE2-CD2 4.39Å; F175-F288 AromaticContact CE2-CE2 3.98Å; F175-F288 HydrophobicContact CE2-CE2 3.98Å
176H96.7Very high95.8Very high0 Ų023.5 Ų23.50%012%0.116CC..Hα-helixtrans-60-38.5175-8683.2000112.5Y22 Y172 Y173 L182 Q184 F192 I201Y22-H176 AromaticContact CE2-CD2 3.72Å; Y22-H176 AromaticContact CE2-NE2 3.76Å; Y22-H176 AromaticContact CZ-NE2 3.71Å; Y22-H176 PolarHBondContact OH-CD2 3.06Å; Y22-H176 PolarHBondContact OH-NE2 3.44Å; Y172-H176 AromaticContact CD1-CE1 3.85Å; Y172-H176 AromaticContact CD2-CE1 3.45Å; Y172-H176 VanDerWaalsContact CD2-CE1 3.45Å; Y172-H176 WeakPolarHBondContact CD2-CE1 3.44Å; Y172-H176 AromaticContact CD2-ND1 3.36Å; Y172-H176 WeakPolarHBondContact CD2-ND1 3.35Å; Y172-H176 AromaticContact CE1-CE1 3.59Å; Y172-H176 AromaticContact CE2-CE1 3.15Å; Y172-H176 WeakPolarHBondContact CE2-CE1 3.19Å; Y172-H176 AromaticContact CE2-ND1 3.52Å; Y172-H176 AromaticContact CG-CE1 3.79Å; Y172-H176 AromaticContact CG-ND1 3.76Å; Y172-H176 AromaticContact CZ-CE1 3.25Å; Y172-H176 PolarHBondContact O-N 2.92Å; Y172-H176 PolarHBondContact O-ND1 3.43Å; Y173-H176 WeakPolarHBondContact O-CB 3.34Å; Y173-H176 PolarHBondContact O-N 2.78Å; H176-L182 HydrophobicContact CB-CD1 4.44Å; H176-Q184 HydrophobicContact CB-CB 4.05Å; H176-Q184 HydrophobicContact CB-CG 4.46Å; H176-F192 HydrophobicContact CB-CE2 4.31Å; H176-F192 AromaticContact CE1-CE2 3.82Å; H176-F192 AromaticContact CG-CE2 3.86Å; H176-F192 AromaticContact ND1-CE2 3.47Å; H176-F192 WeakPolarHBondContact ND1-CE2 3.14Å; H176-I201 WeakPolarHBondContact CE1-CD1 3.43Å; H176-I201 WeakPolarHBondContact NE2-CD1 3.46Å; H176-I201 WeakPolarHBondContact NE2-CG1 3.3Å
177R96.1Very high95.6Very high69 Ų6923.5 Ų23.526%0.2612%0.116SC..Hα-helixtrans-69.3-41.7176.6-65.6-179.663.6-151.42.3112.1Y173 H174 F175 Q184 Q185 I187 V285Y173-R177 HydrophobicContact CE2-CG 4.31Å; Y173-R177 WeakPolarHBondContact O-CG 3.44Å; Y173-R177 PolarHBondContact O-N 3.16Å; Y173-R177 VanDerWaalsContact O-N 3.12Å; H174-R177 PolarHBondContact O-N 3.38Å; F175-R177 VanDerWaalsContact C-N 3.26Å; F175-R177 PolarHBondContact O-N 3.35Å; R177-Q184 WeakPolarHBondContact CA-O 3.39Å; R177-Q184 WeakPolarHBondContact CG-O 3.12Å; R177-Q185 WeakPolarHBondContact CG-O 3.31Å; R177-Q185 PolarHBondContact NE-O 3.22Å; R177-Q185 VanDerWaalsContact NE-O 3.1Å; R177-Q185 WeakPolarHBondContact O-CA 3.32Å; R177-Q185 WeakPolarHBondContact O-CG 3.43Å; R177-I187 HydrophobicContact CG-CG2 3.87Å; R177-V285 HydrophobicContact CB-CG1 3.74Å
178M93.9Very high95.5Very high2 Ų225.7 Ų25.71%0.0114%0.135CC..Hα-helixtrans-85.1-30.3-176.470.890.769.500114.4H174 F175 R180 F281 N282 Q283 V285 S286 F288H174-M178 VanDerWaalsContact O-CG 3.27Å; H174-M178 WeakPolarHBondContact O-CG 3.35Å; H174-M178 PolarHBondContact O-N 2.8Å; F175-M178 HydrophobicContact CD2-CG 4.38Å; F175-M178 HydrophobicContact CD2-SD 3.85Å; F175-M178 HydrophobicContact CE2-SD 4.16Å; F175-M178 PolarHBondContact O-N 3.47Å; M178-R180 PolarHBondContact O-N 2.81Å; M178-F281 HydrophobicContact CE-CB 3.71Å; M178-F281 HydrophobicContact CE-CD1 4.23Å; M178-F281 HydrophobicContact CE-CG 4.18Å; M178-F281 HydrophobicContact SD-CB 3.98Å; M178-F281 HydrophobicContact SD-CD1 3.5Å; M178-F281 WeakPolarHBondContact SD-CD1 3.2Å; M178-F281 HydrophobicContact SD-CE1 4.39Å; M178-F281 HydrophobicContact SD-CG 4.05Å; M178-N282 PolarHBondContact O-N 3.05Å; M178-Q283 HydrophobicContact CE-CG 4.17Å; M178-V285 HydrophobicContact CB-CB 4.37Å; M178-S286 WeakPolarHBondContact CE-O 3.26Å; M178-F288 HydrophobicContact CE-CB 3.93Å; M178-F288 HydrophobicContact CE-CD2 4.21Å; M178-F288 HydrophobicContact SD-CD2 4.45Å
179A93.3Very high95.5Very high0 Ų026.8 Ų26.80%014%0.139CC..BIsolated β-bridgetrans-77.4108.2-177.900000110.9F175 F181 L182 L280 F281F175-A179 HydrophobicContact CD1-CB 4.33Å; F175-A179 HydrophobicContact CD2-CB 4.32Å; F175-A179 HydrophobicContact CE1-CB 4.02Å; F175-A179 HydrophobicContact CE2-CB 4.01Å; F175-A179 HydrophobicContact CG-CB 4.5Å; F175-A179 HydrophobicContact CZ-CB 3.85Å; F175-A179 WeakPolarHBondContact O-CB 3.44Å; F175-A179 PolarHBondContact O-N 3.46Å; A179-F181 HydrophobicContact CB-CD1 4.01Å; A179-F181 HydrophobicContact CB-CE1 3.74Å; A179-F181 HydrophobicContact CB-CZ 4.17Å; A179-F181 PolarHBondContact O-N 3.4Å; A179-L182 HydrophobicContact CB-CB 4.43Å; A179-L182 HydrophobicContact CB-CD1 3.94Å; A179-L182 HydrophobicContact CB-CG 4.09Å; A179-L182 WeakPolarHBondContact O-CB 3.04Å; A179-L182 PolarHBondContact O-N 2.77Å; A179-L280 CarbonylContact C-O 3.58Å; A179-F281 HydrophobicContact CB-CD1 4.22Å; A179-F281 HydrophobicContact CB-CE1 4.27Å
180R91.7Very high95.4Very high88 Ų8831.6 Ų31.633%0.33216%0.164SC..G310 helixtrans-59.1-33.1-177.4-63.6-167.5178141.2-6.7112.7M178 L182 G183 W279 L280 N282M178-R180 PolarHBondContact O-N 2.81Å; R180-L182 PolarHBondContact O-N 2.82Å; R180-G183 PolarHBondContact O-N 3.49Å; R180-W279 VanDerWaalsContact CD-O 3.28Å; R180-W279 WeakPolarHBondContact CD-O 3.48Å; R180-W279 VanDerWaalsContact NH1-CD1 3.26Å; R180-W279 PolarHBondContact NH1-O 2.84Å; R180-L280 PolarHBondContact N-O 3.31Å; R180-N282 HydrophobicContact CG-CB 4.34Å
181F90.9Very high95.3Very high7 Ų734.5 Ų34.53%0.03118%0.18CC..G310 helixtrans-69.8-9.6177.671-96.2000113.9P27 P38 V40 T41 W97 F175 A179 Y202 L280 F281P27-F181 WeakPolarHBondContact CD-O 3.41Å; P38-F181 HydrophobicContact CB-CD2 3.86Å; P38-F181 VanDerWaalsContact CB-O 3.24Å; P38-F181 WeakPolarHBondContact CB-O 3.44Å; P38-F181 HydrophobicContact CG-CD2 3.71Å; P38-F181 HydrophobicContact CG-CE2 4.03Å; V40-F181 HydrophobicContact CG2-CB 3.54Å; T41-F181 HydrophobicContact CG2-CB 3.67Å; T41-F181 HydrophobicContact CG2-CD1 4.12Å; T41-F181 HydrophobicContact CG2-CD2 4.02Å; T41-F181 HydrophobicContact CG2-CG 3.7Å; W97-F181 HydrophobicContact CH2-CE2 4.29Å; W97-F181 HydrophobicContact CH2-CZ 4.32Å; W97-F181 HydrophobicContact CZ3-CZ 4.5Å; F175-F181 AromaticContact CE1-CZ 3.94Å; F175-F181 HydrophobicContact CE1-CZ 3.94Å; F175-F181 HydrophobicContact CZ-CE1 4.05Å; F175-F181 AromaticContact CZ-CZ 3.77Å; F175-F181 HydrophobicContact CZ-CZ 3.77Å; A179-F181 HydrophobicContact CB-CD1 4.01Å; A179-F181 HydrophobicContact CB-CE1 3.74Å; A179-F181 HydrophobicContact CB-CZ 4.17Å; A179-F181 PolarHBondContact O-N 3.4Å; F181-Y202 HydrophobicContact CE2-CE1 4.32Å; F181-L280 HydrophobicContact CB-CD2 4.25Å; F181-L280 HydrophobicContact CD1-CB 4.24Å; F181-L280 HydrophobicContact CD1-CD2 4.16Å; F181-F281 AromaticContact CE1-CE1 3.86Å; F181-F281 HydrophobicContact CE1-CE1 3.86Å; F181-F281 HydrophobicContact CE1-CZ 4.41Å
182L95.2Very high95.2Very high0 Ų033.9 Ų33.90%018%0.176CC..G310 helixtrans-94.7-20.1173.9-63.7177.9000112.7L26 P38 F175 H176 A179 R180 Q184 Y202L26-L182 HydrophobicContact CD2-CB 4.25Å; L26-L182 HydrophobicContact CD2-CD2 3.75Å; L26-L182 VanDerWaalsContact CD2-O 3.23Å; L26-L182 WeakPolarHBondContact CD2-O 3.48Å; P38-L182 HydrophobicContact CB-CD2 4.46Å; P38-L182 HydrophobicContact CG-CD2 4.24Å; F175-L182 HydrophobicContact CD1-CD1 3.78Å; F175-L182 HydrophobicContact CE1-CD1 3.73Å; H176-L182 HydrophobicContact CB-CD1 4.44Å; A179-L182 HydrophobicContact CB-CB 4.43Å; A179-L182 HydrophobicContact CB-CD1 3.94Å; A179-L182 HydrophobicContact CB-CG 4.09Å; A179-L182 WeakPolarHBondContact O-CB 3.04Å; A179-L182 PolarHBondContact O-N 2.77Å; R180-L182 PolarHBondContact O-N 2.82Å; L182-Q184 WeakPolarHBondContact O-CG 3.41Å; L182-Q184 PolarHBondContact O-N 3.36Å; L182-Q184 PolarHBondContact O-NE2 3.25Å; L182-Y202 HydrophobicContact CD1-CD1 4.36Å; L182-Y202 HydrophobicContact CD2-CD1 3.74Å; L182-Y202 HydrophobicContact CD2-CG 3.91Å
183G93.2Very high95.2Very high30 Ų3034.1 Ų34.131%0.30918%0.177SC..THydrogen-bonded Turntrans64.221.4175.700000115.1R180R180-G183 PolarHBondContact O-N 3.49Å
184Q94.9Very high95.1Very high3 Ų334.1 Ų34.11%0.01418%0.179CC..  trans-112.133.7-174-56.9-54.6-32.200113.6Y22 R25 H176 R177 L182 D186 I187Y22-Q184 HydrophobicContact CD2-CG 4.05Å; Y22-Q184 HydrophobicContact CE2-CG 3.77Å; Y22-Q184 PolarHBondContact O-NE2 3.15Å; R25-Q184 VanDerWaalsContact CB-NE2 3.32Å; H176-Q184 HydrophobicContact CB-CB 4.05Å; H176-Q184 HydrophobicContact CB-CG 4.46Å; R177-Q184 WeakPolarHBondContact CA-O 3.39Å; R177-Q184 WeakPolarHBondContact CG-O 3.12Å; L182-Q184 WeakPolarHBondContact O-CG 3.41Å; L182-Q184 PolarHBondContact O-N 3.36Å; L182-Q184 PolarHBondContact O-NE2 3.25Å; Q184-D186 PolarHBondContact O-N 2.74Å; Q184-D186 VanDerWaalsContact O-N 3.15Å; Q184-I187 HydrophobicContact CB-CB 4.04Å; Q184-I187 HydrophobicContact CB-CG2 3.88Å; Q184-I187 VanDerWaalsContact O-CG2 3.25Å; Q184-I187 WeakPolarHBondContact O-CG2 3.09Å; Q184-I187 PolarHBondContact O-N 2.82Å; Q184-I187 VanDerWaalsContact O-N 3.16Å
185Q93Very high95Very high70 Ų7033.3 Ų33.333%0.32718%0.175SC..THydrogen-bonded Turntrans-51.6-40.3-176.9-83.9173.11800113.7R177R177-Q185 WeakPolarHBondContact CG-O 3.31Å; R177-Q185 PolarHBondContact NE-O 3.22Å; R177-Q185 VanDerWaalsContact NE-O 3.1Å; R177-Q185 WeakPolarHBondContact O-CA 3.32Å; R177-Q185 WeakPolarHBondContact O-CG 3.43Å
186D92.7Very high95Very high145 Ų14532.6 Ų32.678%0.77517%0.172SC*.THydrogen-bonded Turntrans-105.716.9-174.7-52.1-47.4000113.2Q184 A188Q184-D186 PolarHBondContact O-N 2.74Å; Q184-D186 VanDerWaalsContact O-N 3.15Å; D186-A188 PolarHBondContact O-N 2.67Å
187I95.6Very high95Very high5 Ų532.6 Ų32.63%0.02617%0.172CC..  trans-64.6131.3173.8-163.3170000109.6Y173 R177 Q184 D191 F192 L195Y173-I187 HydrophobicContact CD2-CG2 4.2Å; Y173-I187 HydrophobicContact CE2-CG2 3.98Å; Y173-I187 WeakPolarHBondContact CE2-O 3.43Å; Y173-I187 PolarHBondContact OH-O 2.92Å; R177-I187 HydrophobicContact CG-CG2 3.87Å; Q184-I187 HydrophobicContact CB-CB 4.04Å; Q184-I187 HydrophobicContact CB-CG2 3.88Å; Q184-I187 VanDerWaalsContact O-CG2 3.25Å; Q184-I187 WeakPolarHBondContact O-CG2 3.09Å; Q184-I187 PolarHBondContact O-N 2.82Å; Q184-I187 VanDerWaalsContact O-N 3.16Å; I187-D191 HydrophobicContact CG1-CB 4.07Å; I187-F192 HydrophobicContact CD1-CB 4.06Å; I187-F192 HydrophobicContact CD1-CD2 4.32Å; I187-F192 HydrophobicContact CG1-CB 4.33Å; I187-L195 HydrophobicContact CD1-CD1 3.95Å
188A96.5Very high94.8Very high48 Ų4829.8 Ų29.840%0.39716%0.163SC..  trans-78.9153.1172.600000110.4D186 D190 D191 F192D186-A188 PolarHBondContact O-N 2.67Å; A188-D190 VanDerWaalsContact C-N 3.26Å; A188-D190 PolarHBondContact O-N 2.68Å; A188-D191 PolarHBondContact O-N 2.79Å; A188-F192 WeakPolarHBondContact O-CB 3.49Å; A188-F192 PolarHBondContact O-N 3.06Å
189W97.4Very high94.9Very high23 Ų2330.3 Ų30.39%0.08717%0.169CC..Hα-helixtrans-56.8-41.7176.8172.6-104.3000112.2A169 V170 Y173 D191 F192 F193 Y300 F301A169-W189 HydrophobicContact CB-CH2 4.04Å; V170-W189 HydrophobicContact CG2-CH2 3.87Å; V170-W189 HydrophobicContact CG2-CZ3 4.13Å; Y173-W189 AromaticContact CD1-CE3 3.77Å; Y173-W189 HydrophobicContact CD1-CE3 3.77Å; Y173-W189 HydrophobicContact CD1-CZ3 4.31Å; Y173-W189 HydrophobicContact CD2-CE3 4.04Å; Y173-W189 HydrophobicContact CE1-CB 4.44Å; Y173-W189 HydrophobicContact CE1-CE3 4.3Å; Y173-W189 HydrophobicContact CE2-CB 4.27Å; Y173-W189 AromaticContact CG-CE3 3.61Å; Y173-W189 HydrophobicContact CG-CE3 3.61Å; Y173-W189 HydrophobicContact CG-CZ3 4.02Å; Y173-W189 PolarHBondContact OH-N 3.19Å; W189-D191 VanDerWaalsContact C-N 3.28Å; W189-D191 PolarHBondContact O-N 3.25Å; W189-F192 HydrophobicContact CE3-CD1 4.09Å; W189-F192 AromaticContact CZ3-CD1 3.88Å; W189-F192 HydrophobicContact CZ3-CD1 3.88Å; W189-F192 HydrophobicContact CZ3-CE1 4.19Å; W189-F192 WeakPolarHBondContact O-CB 3.42Å; W189-F192 PolarHBondContact O-N 3.46Å; W189-F192 VanDerWaalsContact O-N 3.11Å; W189-F193 HydrophobicContact CZ2-CD2 4.2Å; W189-F193 WeakPolarHBondContact O-CB 3.26Å; W189-F193 PolarHBondContact O-N 2.63Å; W189-Y300 HydrophobicContact CE3-CD1 4.36Å; W189-Y300 PolarHBondContact NE1-O 2.93Å; W189-F301 HydrophobicContact CH2-CD2 4.02Å; W189-F301 AromaticContact CH2-CE2 3.53Å; W189-F301 HydrophobicContact CH2-CE2 3.53Å; W189-F301 HydrophobicContact CH2-CZ 4.16Å; W189-F301 AromaticContact CZ2-CD2 3.54Å; W189-F301 HydrophobicContact CZ2-CD2 3.54Å; W189-F301 AromaticContact CZ2-CE2 3.46Å; W189-F301 HydrophobicContact CZ2-CE2 3.46Å; W189-F301 VanDerWaalsContact CZ2-CE2 3.46Å; W189-F301 HydrophobicContact CZ2-CG 4.18Å; W189-F301 HydrophobicContact CZ2-CZ 4.03Å
190D96.4Very high94.9Very high101 Ų10132.5 Ų32.554%0.5418%0.181SC..Hα-helixtrans-69.3-23.4-177.8-67.6-22.1000113.6A188 P194 Q305A188-D190 VanDerWaalsContact C-N 3.26Å; A188-D190 PolarHBondContact O-N 2.68Å; D190-P194 WeakPolarHBondContact O-CD 3.44Å; D190-P194 WeakPolarHBondContact O-CG 3.45Å; D190-Q305 PolarHBondContact OD1-NE2 2.98Å
191D95.4Very high95.1Very high61 Ų6128.4 Ų28.433%0.32617%0.166SC..Hα-helixtrans-83-34.8170.4-68.5-28.1000111.4L18 I187 A188 W189 L195L18-D191 HydrophobicContact CD2-CB 4.09Å; I187-D191 HydrophobicContact CG1-CB 4.07Å; A188-D191 PolarHBondContact O-N 2.79Å; W189-D191 VanDerWaalsContact C-N 3.28Å; W189-D191 PolarHBondContact O-N 3.25Å; D191-L195 WeakPolarHBondContact O-CD1 3.47Å; D191-L195 WeakPolarHBondContact O-CG 3.44Å
192F97.1Very high95.3Very high0 Ų028.2 Ų28.20%017%0.165CC..Hα-helixtrans-68.7-42179177.3-90.4000112.3A169 Y172 Y173 H176 I187 A188 W189 L195 Y196 I201A169-F192 VanDerWaalsContact O-CE1 3.3Å; A169-F192 WeakPolarHBondContact O-CE1 3.36Å; Y172-F192 HydrophobicContact CD1-CZ 4.2Å; Y172-F192 HydrophobicContact CG-CZ 4.23Å; Y173-F192 HydrophobicContact CD2-CB 3.74Å; Y173-F192 HydrophobicContact CD2-CD1 4.1Å; Y173-F192 HydrophobicContact CD2-CD2 4.09Å; Y173-F192 AromaticContact CD2-CG 3.69Å; Y173-F192 HydrophobicContact CD2-CG 3.69Å; Y173-F192 HydrophobicContact CE2-CB 4.27Å; Y173-F192 HydrophobicContact CG-CD1 4.31Å; Y173-F192 HydrophobicContact CG-CG 4.32Å; Y173-F192 VanDerWaalsContact N-CZ 3.33Å; H176-F192 HydrophobicContact CB-CE2 4.31Å; H176-F192 AromaticContact CE1-CE2 3.82Å; H176-F192 AromaticContact CG-CE2 3.86Å; H176-F192 AromaticContact ND1-CE2 3.47Å; H176-F192 WeakPolarHBondContact ND1-CE2 3.14Å; I187-F192 HydrophobicContact CD1-CB 4.06Å; I187-F192 HydrophobicContact CD1-CD2 4.32Å; I187-F192 HydrophobicContact CG1-CB 4.33Å; A188-F192 WeakPolarHBondContact O-CB 3.49Å; A188-F192 PolarHBondContact O-N 3.06Å; W189-F192 HydrophobicContact CE3-CD1 4.09Å; W189-F192 AromaticContact CZ3-CD1 3.88Å; W189-F192 HydrophobicContact CZ3-CD1 3.88Å; W189-F192 HydrophobicContact CZ3-CE1 4.19Å; W189-F192 WeakPolarHBondContact O-CB 3.42Å; W189-F192 PolarHBondContact O-N 3.46Å; W189-F192 VanDerWaalsContact O-N 3.11Å; F192-L195 WeakPolarHBondContact O-CB 3.45Å; F192-L195 PolarHBondContact O-N 3.22Å; F192-L195 VanDerWaalsContact O-N 3.16Å; F192-Y196 HydrophobicContact CE1-CD2 4.42Å; F192-Y196 HydrophobicContact CE1-CG 4.17Å; F192-Y196 HydrophobicContact CZ-CD2 4.33Å; F192-Y196 HydrophobicContact CZ-CG 4.48Å; F192-Y196 PolarHBondContact O-N 3.37Å; F192-I201 HydrophobicContact CD2-CD1 3.98Å; F192-I201 HydrophobicContact CE2-CD1 3.38Å; F192-I201 HydrophobicContact CZ-CD1 3.94Å
193F97Very high95.3Very high6 Ų628.2 Ų28.23%0.02617%0.165CC..Hα-helixtrans-59-47-173.6172-98.8000113.6L13 W189 L195 Y196 T197 F301 Q305 F309L13-F193 HydrophobicContact CD1-CD1 4.03Å; L13-F193 HydrophobicContact CD1-CE1 3.62Å; W189-F193 HydrophobicContact CZ2-CD2 4.2Å; W189-F193 WeakPolarHBondContact O-CB 3.26Å; W189-F193 PolarHBondContact O-N 2.63Å; F193-L195 PolarHBondContact O-N 3.4Å; F193-Y196 PolarHBondContact O-N 3.37Å; F193-T197 HydrophobicContact CD2-CG2 4.09Å; F193-T197 HydrophobicContact CE1-CG2 4.29Å; F193-T197 HydrophobicContact CE2-CG2 3.64Å; F193-T197 HydrophobicContact CZ-CG2 3.76Å; F193-T197 WeakPolarHBondContact O-CG2 3.24Å; F193-T197 PolarHBondContact O-N 3.49Å; F193-T197 PolarHBondContact O-OG1 3.26Å; F193-F301 HydrophobicContact CD2-CE1 4.14Å; F193-F301 HydrophobicContact CD2-CZ 4.39Å; F193-F301 HydrophobicContact CE2-CD1 4.14Å; F193-F301 AromaticContact CE2-CE1 3.57Å; F193-F301 HydrophobicContact CE2-CE1 3.57Å; F193-F301 HydrophobicContact CE2-CZ 4.2Å; F193-Q305 HydrophobicContact CD1-CB 4.48Å; F193-Q305 HydrophobicContact CD1-CG 3.85Å; F193-Q305 HydrophobicContact CE1-CB 4.02Å; F193-Q305 HydrophobicContact CE1-CG 3.74Å; F193-Q305 HydrophobicContact CE2-CB 4.17Å; F193-Q305 HydrophobicContact CG-CG 4.29Å; F193-Q305 HydrophobicContact CZ-CB 3.85Å; F193-Q305 HydrophobicContact CZ-CG 4.1Å; F193-Q305 WeakPolarHBondContact CZ-O 3.46Å; F193-F309 HydrophobicContact CE2-CB 4.32Å; F193-F309 HydrophobicContact CE2-CD2 4.16Å; F193-F309 HydrophobicContact CZ-CB 4.28Å
194P95.5Very high95.4Very high20 Ų2027 Ų2713%0.1315%0.152CC..Hα-helixtrans-62.1-37.8173.2-24.835.5000113.7L13 V15 L18 D190 T197 S198L13-P194 HydrophobicContact CB-CB 4.29Å; L13-P194 HydrophobicContact CD1-CB 4.38Å; L13-P194 HydrophobicContact CD1-CG 4.38Å; V15-P194 HydrophobicContact CG1-CB 3.97Å; V15-P194 WeakPolarHBondContact CG1-O 3.31Å; L18-P194 HydrophobicContact CD1-CB 4.41Å; D190-P194 WeakPolarHBondContact O-CD 3.44Å; D190-P194 WeakPolarHBondContact O-CG 3.45Å; P194-T197 WeakPolarHBondContact CA-OG1 3.47Å; P194-T197 PolarHBondContact O-OG1 2.75Å; P194-S198 WeakPolarHBondContact O-CB 3.35Å; P194-S198 PolarHBondContact O-N 3.07Å; P194-S198 PolarHBondContact O-OG 3.36Å
195L95.9Very high95.5Very high3 Ų327.4 Ų27.42%0.01616%0.156CC..Hα-helixtrans-64.7-44.4176.9-66.5166.4000111.4V15 L18 Y22 I187 D191 F192 F193 S198 G199 N200 I201V15-L195 HydrophobicContact CB-CD2 4.39Å; V15-L195 HydrophobicContact CG1-CD2 4.15Å; L18-L195 HydrophobicContact CB-CD2 4.19Å; Y22-L195 HydrophobicContact CD2-CD1 3.75Å; Y22-L195 HydrophobicContact CG-CD1 3.99Å; Y22-L195 HydrophobicContact CG-CD2 4.4Å; I187-L195 HydrophobicContact CD1-CD1 3.95Å; D191-L195 WeakPolarHBondContact O-CD1 3.47Å; D191-L195 WeakPolarHBondContact O-CG 3.44Å; F192-L195 WeakPolarHBondContact O-CB 3.45Å; F192-L195 PolarHBondContact O-N 3.22Å; F192-L195 VanDerWaalsContact O-N 3.16Å; F193-L195 PolarHBondContact O-N 3.4Å; L195-S198 PolarHBondContact O-OG 3.37Å; L195-G199 PolarHBondContact O-N 2.93Å; L195-G199 VanDerWaalsContact O-N 3.09Å; L195-N200 HydrophobicContact CD2-CB 4.34Å; L195-N200 WeakPolarHBondContact CD2-O 3Å; L195-N200 PolarHBondContact O-N 3.09Å; L195-N200 VanDerWaalsContact O-N 3.12Å; L195-I201 HydrophobicContact CB-CB 4.46Å; L195-I201 HydrophobicContact CB-CD1 4.3Å
196Y97Very high95.8Very high3 Ų324.1 Ų24.11%0.01214%0.14CC..Hα-helixtrans-64.2-49.1177.2176.7-102.1000112.1Y65 P165 A169 Y172 F192 F193 S198 G199 W206 F309Y65-Y196 AromaticContact CE1-CE2 3.92Å; Y65-Y196 HydrophobicContact CE1-CE2 3.92Å; P165-Y196 PolarHBondContact O-OH 2.92Å; A169-Y196 HydrophobicContact CB-CD1 3.6Å; A169-Y196 HydrophobicContact CB-CD2 4.43Å; A169-Y196 HydrophobicContact CB-CE1 3.41Å; A169-Y196 VanDerWaalsContact CB-CE1 3.41Å; A169-Y196 HydrophobicContact CB-CE2 4.27Å; A169-Y196 HydrophobicContact CB-CG 4.11Å; Y172-Y196 HydrophobicContact CD1-CD2 4.05Å; Y172-Y196 HydrophobicContact CD1-CE2 4.21Å; F192-Y196 HydrophobicContact CE1-CD2 4.42Å; F192-Y196 HydrophobicContact CE1-CG 4.17Å; F192-Y196 HydrophobicContact CZ-CD2 4.33Å; F192-Y196 HydrophobicContact CZ-CG 4.48Å; F192-Y196 PolarHBondContact O-N 3.37Å; F193-Y196 PolarHBondContact O-N 3.37Å; Y196-S198 VanDerWaalsContact C-N 3.32Å; Y196-S198 PolarHBondContact O-N 2.93Å; Y196-G199 PolarHBondContact O-N 3.16Å; Y196-W206 HydrophobicContact CE2-CB 4.28Å; Y196-F309 HydrophobicContact CE1-CE2 4.05Å
197T95.7Very high96Very high0 Ų017.4 Ų17.40%010%0.104CC..Hα-helixtrans-67-32-17749.30000113.2N12 F193 P194 F309N12-T197 PolarHBondContact OD1-O 3.49Å; F193-T197 HydrophobicContact CD2-CG2 4.09Å; F193-T197 HydrophobicContact CE1-CG2 4.29Å; F193-T197 HydrophobicContact CE2-CG2 3.64Å; F193-T197 HydrophobicContact CZ-CG2 3.76Å; F193-T197 WeakPolarHBondContact O-CG2 3.24Å; F193-T197 PolarHBondContact O-N 3.49Å; F193-T197 PolarHBondContact O-OG1 3.26Å; P194-T197 WeakPolarHBondContact CA-OG1 3.47Å; P194-T197 PolarHBondContact O-OG1 2.75Å; T197-F309 HydrophobicContact CG2-CD2 3.71Å; T197-F309 HydrophobicContact CG2-CE2 4.08Å
198S93.5Very high96.1Very high10 Ų1020.7 Ų20.77%0.0712%0.119CC..Hα-helixtrans-83.9-13.9174.464.50000115.3N12 L13 V15 P194 L195 Y196 N200N12-S198 VanDerWaalsContact CB-CA 3.47Å; L13-S198 WeakPolarHBondContact O-CB 3.35Å; V15-S198 WeakPolarHBondContact CG1-OG 3.29Å; P194-S198 WeakPolarHBondContact O-CB 3.35Å; P194-S198 PolarHBondContact O-N 3.07Å; P194-S198 PolarHBondContact O-OG 3.36Å; L195-S198 PolarHBondContact O-OG 3.37Å; Y196-S198 VanDerWaalsContact C-N 3.32Å; Y196-S198 PolarHBondContact O-N 2.93Å; S198-N200 WeakPolarHBondContact CB-ND2 3.32Å; S198-N200 PolarHBondContact O-N 3.15Å; S198-N200 PolarHBondContact OG-N 3.29Å; S198-N200 PolarHBondContact OG-ND2 3.26Å
199G95.2Very high96.2Very high13 Ų1318.6 Ų18.613%0.13410%0.101CC..THydrogen-bonded Turntrans72.310.8-172.400000114.2L195 Y196 I201 G204L195-G199 PolarHBondContact O-N 2.93Å; L195-G199 VanDerWaalsContact O-N 3.09Å; Y196-G199 PolarHBondContact O-N 3.16Å; G199-I201 PolarHBondContact O-N 3Å; G199-G204 CarbonylContact O-C 3.57Å; G199-G204 VanDerWaalsContact O-CA 3.24Å; G199-G204 WeakPolarHBondContact O-CA 3.27Å
200N93.7Very high96.2Very high47 Ų4717.5 Ų17.525%0.25110%0.097SC..  trans-78.551.5173.6-74.2-61.2000111.6V15 E19 L195 S198V15-N200 HydrophobicContact CG2-CB 4Å; V15-N200 WeakPolarHBondContact CG2-ND2 3.28Å; E19-N200 HydrophobicContact CB-CB 4.45Å; E19-N200 HydrophobicContact CG-CB 4.15Å; L195-N200 HydrophobicContact CD2-CB 4.34Å; L195-N200 WeakPolarHBondContact CD2-O 3Å; L195-N200 PolarHBondContact O-N 3.09Å; L195-N200 VanDerWaalsContact O-N 3.12Å; S198-N200 WeakPolarHBondContact CB-ND2 3.32Å; S198-N200 PolarHBondContact O-N 3.15Å; S198-N200 PolarHBondContact OG-N 3.29Å; S198-N200 PolarHBondContact OG-ND2 3.26Å
201I95.8Very high96.3Very high2 Ų213.5 Ų13.51%0.018%0.076CC..SBendtrans-144.5166.3-171.4-156.8168.2000109.8Y22 Y172 H176 F192 L195 G199 C203 G204Y22-I201 HydrophobicContact CE1-CB 4.49Å; Y22-I201 HydrophobicContact CE1-CG1 4.06Å; Y22-I201 HydrophobicContact CE2-CD1 4.37Å; Y22-I201 HydrophobicContact CE2-CG1 3.79Å; Y22-I201 VanDerWaalsContact CZ-CG1 3.46Å; Y22-I201 VanDerWaalsContact OH-CG1 3.25Å; Y22-I201 WeakPolarHBondContact OH-CG1 3.37Å; Y172-I201 HydrophobicContact CE1-CD1 4.39Å; Y172-I201 HydrophobicContact CE1-CG2 4.28Å; H176-I201 WeakPolarHBondContact CE1-CD1 3.43Å; H176-I201 WeakPolarHBondContact NE2-CD1 3.46Å; H176-I201 WeakPolarHBondContact NE2-CG1 3.3Å; F192-I201 HydrophobicContact CD2-CD1 3.98Å; F192-I201 HydrophobicContact CE2-CD1 3.38Å; F192-I201 HydrophobicContact CZ-CD1 3.94Å; L195-I201 HydrophobicContact CB-CB 4.46Å; L195-I201 HydrophobicContact CB-CD1 4.3Å; G199-I201 PolarHBondContact O-N 3Å; I201-C203 PolarHBondContact O-N 3.31Å; I201-G204 WeakPolarHBondContact O-CA 3.21Å; I201-G204 PolarHBondContact O-N 3.02Å
202Y95.3Very high96.4Very high2 Ų211.8 Ų11.81%0.0087%0.069CC..THydrogen-bonded Turntrans-50.3134.7173169.7-124.3000111.2Y22 W37 P38 P66 W97 Y172 F181 L182 G204Y22-Y202 WeakPolarHBondContact OH-CB 3.36Å; Y22-Y202 PolarHBondContact OH-N 3.19Å; W37-Y202 HydrophobicContact CE3-CD2 4.33Å; W37-Y202 AromaticContact CE3-CE2 3.84Å; W37-Y202 HydrophobicContact CE3-CE2 3.84Å; W37-Y202 AromaticContact CZ3-CE2 3.83Å; W37-Y202 HydrophobicContact CZ3-CE2 3.83Å; P38-Y202 VanDerWaalsContact CD-CD2 3.48Å; P38-Y202 HydrophobicContact CG-CD2 4.09Å; P38-Y202 HydrophobicContact CG-CE2 4.08Å; P66-Y202 HydrophobicContact CG-CE1 4.27Å; W97-Y202 WeakPolarHBondContact CZ2-OH 3.34Å; Y172-Y202 HydrophobicContact CE2-CD1 4.3Å; Y172-Y202 VanDerWaalsContact OH-C 3.32Å; Y172-Y202 WeakPolarHBondContact OH-CD1 2.98Å; Y172-Y202 PolarHBondContact OH-O 2.81Å; F181-Y202 HydrophobicContact CE2-CE1 4.32Å; L182-Y202 HydrophobicContact CD1-CD1 4.36Å; L182-Y202 HydrophobicContact CD2-CD1 3.74Å; L182-Y202 HydrophobicContact CD2-CG 3.91Å; Y202-G204 PolarHBondContact O-N 3.23Å
203C94.7Very high96.4Very high0 Ų011.8 Ų11.80%07%0.069CC..THydrogen-bonded Turntrans63.69.6-172-65.10000116.4Y65 P66 H141 I201Y65-C203 HydrophobicContact CE2-CB 4.27Å; P66-C203 HydrophobicContact CG-CB 3.71Å; H141-C203 VanDerWaalsContact CB-SG 3.53Å; H141-C203 PolarHBondContact O-SG 2.73Å; I201-C203 PolarHBondContact O-N 3.31Å
204G96Very high96.5Very high4 Ų413.4 Ų13.44%0.0418%0.075CC..  trans71.6-151.8171.400000113.9Y65 G199 I201 Y202Y65-G204 WeakPolarHBondContact CE2-O 3.29Å; Y65-G204 PolarHBondContact OH-O 2.64Å; G199-G204 CarbonylContact O-C 3.57Å; G199-G204 VanDerWaalsContact O-CA 3.24Å; G199-G204 WeakPolarHBondContact O-CA 3.27Å; I201-G204 WeakPolarHBondContact O-CA 3.21Å; I201-G204 PolarHBondContact O-N 3.02Å; Y202-G204 PolarHBondContact O-N 3.23Å
205S97Very high96.5Very high13 Ų1318.8 Ų18.89%0.09110%0.096CC..  trans-81.6135.1-177.4170.80000112.7F207 E208 H209 R316S205-F207 VanDerWaalsContact C-N 3.26Å; S205-F207 PolarHBondContact O-N 2.67Å; S205-F207 PolarHBondContact OG-N 2.81Å; S205-E208 WeakPolarHBondContact CB-OE2 3.21Å; S205-E208 PolarHBondContact OG-OE2 3.09Å; S205-H209 WeakPolarHBondContact O-CB 3.49Å; S205-H209 PolarHBondContact O-N 2.68Å; S205-H209 VanDerWaalsContact O-N 3.14Å; S205-R316 PolarHBondContact OG-NH2 3.08Å
206W98.2Very high96.6Very high1 Ų119.7 Ų19.70%0.00410%0.101CC..Hα-helixtrans-58.8-38.3173.2178.397.3000112.1Y65 R163 P165 Y196 H209 V210 Y313 M317 F324Y65-W206 HydrophobicContact CD1-CB 4.31Å; Y65-W206 AromaticContact CD1-CD1 3.65Å; Y65-W206 HydrophobicContact CD1-CG 4.38Å; Y65-W206 HydrophobicContact CD2-CB 4.43Å; Y65-W206 HydrophobicContact CE1-CB 4.14Å; Y65-W206 HydrophobicContact CE2-CB 4.25Å; Y65-W206 HydrophobicContact CG-CB 4.43Å; Y65-W206 AromaticContact CG-CD1 3.87Å; Y65-W206 HydrophobicContact CG-CG 4.48Å; R163-W206 VanDerWaalsContact O-CZ2 3.29Å; R163-W206 WeakPolarHBondContact O-CZ2 3.4Å; R163-W206 PolarHBondContact O-NE1 2.92Å; P165-W206 HydrophobicContact CB-CD2 3.61Å; P165-W206 HydrophobicContact CB-CE3 3.71Å; P165-W206 HydrophobicContact CB-CG 4.23Å; P165-W206 HydrophobicContact CB-CH2 3.93Å; P165-W206 HydrophobicContact CB-CZ2 3.8Å; P165-W206 HydrophobicContact CB-CZ3 3.87Å; P165-W206 HydrophobicContact CG-CD2 4.48Å; P165-W206 HydrophobicContact CG-CE3 4.22Å; P165-W206 HydrophobicContact CG-CH2 3.76Å; P165-W206 HydrophobicContact CG-CZ2 4Å; P165-W206 HydrophobicContact CG-CZ3 3.86Å; Y196-W206 HydrophobicContact CE2-CB 4.28Å; W206-H209 PolarHBondContact O-N 2.96Å; W206-V210 HydrophobicContact CD2-CG2 3.98Å; W206-V210 HydrophobicContact CG-CG2 4.35Å; W206-V210 HydrophobicContact CH2-CB 4.44Å; W206-V210 HydrophobicContact CH2-CG1 4.29Å; W206-V210 HydrophobicContact CH2-CG2 4.43Å; W206-V210 HydrophobicContact CZ2-CB 4.29Å; W206-V210 HydrophobicContact CZ2-CG1 4.26Å; W206-V210 HydrophobicContact CZ2-CG2 3.8Å; W206-V210 WeakPolarHBondContact O-CB 3.32Å; W206-V210 WeakPolarHBondContact O-CG2 3.41Å; W206-V210 PolarHBondContact O-N 3.49Å; W206-Y313 HydrophobicContact CH2-CE2 4.28Å; W206-Y313 HydrophobicContact CZ3-CE2 4.33Å; W206-M317 HydrophobicContact CH2-CE 4.25Å; W206-M317 HydrophobicContact CH2-SD 4.37Å; W206-M317 HydrophobicContact CZ3-CE 4.28Å; W206-M317 HydrophobicContact CZ3-SD 3.81Å; W206-F324 HydrophobicContact CH2-CD2 4.01Å; W206-F324 AromaticContact CH2-CE2 3.64Å; W206-F324 HydrophobicContact CH2-CE2 3.64Å; W206-F324 HydrophobicContact CH2-CZ 4.07Å; W206-F324 HydrophobicContact CZ2-CD2 4.43Å; W206-F324 HydrophobicContact CZ2-CE1 4.34Å; W206-F324 AromaticContact CZ2-CE2 3.97Å; W206-F324 HydrophobicContact CZ2-CE2 3.97Å; W206-F324 AromaticContact CZ2-CZ 3.92Å; W206-F324 HydrophobicContact CZ2-CZ 3.92Å
207F97.4Very high96.6Very high3 Ų320.4 Ų20.41%0.01311%0.107CC..Hα-helixtrans-64.5-51.9-176.1-61.8-77.7000111.3S205 H209 T211 F309 I312 Y313 R316 M317S205-F207 VanDerWaalsContact C-N 3.26Å; S205-F207 PolarHBondContact O-N 2.67Å; S205-F207 PolarHBondContact OG-N 2.81Å; F207-H209 VanDerWaalsContact C-N 3.33Å; F207-H209 PolarHBondContact O-N 2.99Å; F207-T211 VanDerWaalsContact O-CB 3.29Å; F207-T211 WeakPolarHBondContact O-CB 2.94Å; F207-T211 WeakPolarHBondContact O-CG2 3.04Å; F207-T211 PolarHBondContact O-N 2.98Å; F207-T211 PolarHBondContact O-OG1 3.41Å; F207-F309 HydrophobicContact CE1-CZ 4.47Å; F207-F309 HydrophobicContact CZ-CE2 4.11Å; F207-F309 AromaticContact CZ-CZ 3.78Å; F207-F309 HydrophobicContact CZ-CZ 3.78Å; F207-I312 HydrophobicContact CE2-CG2 3.76Å; F207-I312 HydrophobicContact CZ-CG2 3.78Å; F207-Y313 AromaticContact CE1-CD2 3.98Å; F207-Y313 HydrophobicContact CE1-CD2 3.98Å; F207-R316 HydrophobicContact CB-CB 4.3Å; F207-R316 HydrophobicContact CD1-CB 3.56Å; F207-R316 HydrophobicContact CD1-CG 4.33Å; F207-R316 HydrophobicContact CD2-CG 4.46Å; F207-R316 HydrophobicContact CE1-CB 3.96Å; F207-R316 HydrophobicContact CG-CB 3.89Å; F207-R316 HydrophobicContact CG-CG 4.27Å; F207-M317 HydrophobicContact CD1-CG 4.11Å; F207-M317 HydrophobicContact CD1-SD 3.85Å; F207-M317 HydrophobicContact CE1-CG 4.22Å; F207-M317 HydrophobicContact CE1-SD 4.49Å
208E96.9Very high96.6Very high74 Ų7426.9 Ų26.935%0.34614%0.135SC..Hα-helixtrans-62.5-43.4178.3-77.660.6-138.800110.4S205 S212 R316S205-E208 WeakPolarHBondContact CB-OE2 3.21Å; S205-E208 PolarHBondContact OG-OE2 3.09Å; E208-S212 WeakPolarHBondContact O-CB 3.25Å; E208-S212 PolarHBondContact O-N 3.06Å; E208-S212 PolarHBondContact O-OG 3.22Å; E208-R316 IonicContact OE1-CZ 3.61Å; E208-R316 VanDerWaalsContact OE1-CZ 3.27Å; E208-R316 IonicContact OE1-NE 2.86Å; E208-R316 PolarHBondContact OE1-NE 3.5Å; E208-R316 IonicContact OE1-NH2 2.8Å; E208-R316 PolarHBondContact OE1-NH2 3.3Å; E208-R316 IonicContact OE2-CZ 2.89Å; E208-R316 IonicContact OE2-NH2 3.89Å; E208-R316 PolarHBondContact OE2-NH2 3.01Å
209H98.2Very high96.7Very high5 Ų533.4 Ų33.42%0.02317%0.168CC..Hα-helixtrans-62-53.7179.9-162.1-66.5000111.1S64 Y65 H141 L142 Y160 S205 W206 F207 S212 Y213S64-H209 VanDerWaalsContact C-CE1 3.46Å; Y65-H209 HydrophobicContact CD2-CB 3.67Å; Y65-H209 AromaticContact CD2-CD2 3.88Å; Y65-H209 AromaticContact CD2-CG 3.72Å; Y65-H209 HydrophobicContact CE2-CB 4.38Å; Y65-H209 PolarHBondContact N-CE1 3.15Å; H141-H209 PolarHBondContact O-NE2 3.43Å; L142-H209 PolarHBondContact O-NE2 3.22Å; Y160-H209 AromaticContact CE2-CE1 3.78Å; Y160-H209 AromaticContact CE2-ND1 3.79Å; Y160-H209 AromaticContact CZ-ND1 3.7Å; Y160-H209 PolarHBondContact OH-CE1 3.32Å; Y160-H209 PolarHBondContact OH-ND1 2.65Å; S205-H209 WeakPolarHBondContact O-CB 3.49Å; S205-H209 PolarHBondContact O-N 2.68Å; S205-H209 VanDerWaalsContact O-N 3.14Å; W206-H209 PolarHBondContact O-N 2.96Å; F207-H209 VanDerWaalsContact C-N 3.33Å; F207-H209 PolarHBondContact O-N 2.99Å; H209-S212 PolarHBondContact O-OG 3.46Å; H209-Y213 AromaticContact CE1-CD2 3.78Å; H209-Y213 AromaticContact CE1-CE2 3.5Å; H209-Y213 AromaticContact ND1-CD2 3.64Å; H209-Y213 AromaticContact ND1-CE2 3.76Å; H209-Y213 AromaticContact NE2-CE2 3.99Å; H209-Y213 WeakPolarHBondContact O-CD2 3.47Å; H209-Y213 PolarHBondContact O-N 2.65Å
210V98.4Very high96.7Very high0 Ų033.2 Ų33.20%016%0.164CC..Hα-helixtrans-66.5-45.3-178.5170.50000112.1Y160 W206 W214 F225 I322 F324Y160-V210 HydrophobicContact CE1-CG2 4.44Å; Y160-V210 WeakPolarHBondContact OH-CA 3.32Å; W206-V210 HydrophobicContact CD2-CG2 3.98Å; W206-V210 HydrophobicContact CG-CG2 4.35Å; W206-V210 HydrophobicContact CH2-CB 4.44Å; W206-V210 HydrophobicContact CH2-CG1 4.29Å; W206-V210 HydrophobicContact CH2-CG2 4.43Å; W206-V210 HydrophobicContact CZ2-CB 4.29Å; W206-V210 HydrophobicContact CZ2-CG1 4.26Å; W206-V210 HydrophobicContact CZ2-CG2 3.8Å; W206-V210 WeakPolarHBondContact O-CB 3.32Å; W206-V210 WeakPolarHBondContact O-CG2 3.41Å; W206-V210 PolarHBondContact O-N 3.49Å; V210-W214 VanDerWaalsContact O-CB 3.25Å; V210-W214 WeakPolarHBondContact O-CB 3.23Å; V210-W214 PolarHBondContact O-N 3.03Å; V210-F225 HydrophobicContact CG1-CE1 4.37Å; V210-F225 HydrophobicContact CG1-CZ 4.17Å; V210-I322 HydrophobicContact CG1-CD1 4.48Å; V210-F324 HydrophobicContact CG1-CE2 4.17Å; V210-F324 HydrophobicContact CG1-CZ 3.83Å
211T97.7Very high96.8Very high17 Ų1736.3 Ų36.310%0.10419%0.187CC..Hα-helixtrans-72.2-33.1-174.860.70000112.9F207 W214 K215 M317 T320F207-T211 VanDerWaalsContact O-CB 3.29Å; F207-T211 WeakPolarHBondContact O-CB 2.94Å; F207-T211 WeakPolarHBondContact O-CG2 3.04Å; F207-T211 PolarHBondContact O-N 2.98Å; F207-T211 PolarHBondContact O-OG1 3.41Å; T211-W214 PolarHBondContact O-N 3.11Å; T211-K215 VanDerWaalsContact O-CG 3.27Å; T211-K215 WeakPolarHBondContact O-CG 3.29Å; T211-K215 PolarHBondContact O-N 2.72Å; T211-M317 HydrophobicContact CG2-CE 4.06Å; T211-M317 HydrophobicContact CG2-SD 3.72Å; T211-T320 HydrophobicContact CG2-CG2 3.66Å
212S97.6Very high96.9Very high24 Ų2439.2 Ų39.217%0.16820%0.202CC..Hα-helixtrans-65.8-47.8175.861.90000111.6E208 H209 K215 L216E208-S212 WeakPolarHBondContact O-CB 3.25Å; E208-S212 PolarHBondContact O-N 3.06Å; E208-S212 PolarHBondContact O-OG 3.22Å; H209-S212 PolarHBondContact O-OG 3.46Å; S212-K215 PolarHBondContact O-N 3.17Å; S212-L216 PolarHBondContact O-N 2.84Å
213Y98.3Very high97.1Very high1 Ų139.7 Ų39.70%0.00421%0.205CC..Hα-helixtrans-69.2-32.6175.5-75.3-65.5000113L63 L142 L144 M147 Y160 H209 L216 S217 M223L63-Y213 HydrophobicContact CD2-CD1 3.68Å; L63-Y213 HydrophobicContact CD2-CD2 4.41Å; L63-Y213 HydrophobicContact CD2-CE1 3.2Å; L63-Y213 HydrophobicContact CD2-CE2 4Å; L63-Y213 HydrophobicContact CD2-CG 4.27Å; L63-Y213 HydrophobicContact CG-CE1 4.33Å; L63-Y213 HydrophobicContact CG-CE2 4.32Å; L142-Y213 WeakPolarHBondContact O-CE2 3.37Å; L142-Y213 PolarHBondContact O-OH 3.01Å; L144-Y213 WeakPolarHBondContact CA-OH 3.3Å; L144-Y213 HydrophobicContact CB-CE1 4.1Å; L144-Y213 HydrophobicContact CB-CE2 4.17Å; L144-Y213 HydrophobicContact CD1-CD1 4.03Å; L144-Y213 HydrophobicContact CD1-CE1 3.53Å; L144-Y213 HydrophobicContact CG-CE1 4.4Å; L144-Y213 PolarHBondContact N-OH 3.37Å; M147-Y213 WeakPolarHBondContact CE-OH 3.37Å; Y160-Y213 HydrophobicContact CD2-CD1 4.16Å; Y160-Y213 AromaticContact CD2-CD2 3.84Å; Y160-Y213 HydrophobicContact CD2-CD2 3.84Å; Y160-Y213 AromaticContact CD2-CG 3.57Å; Y160-Y213 HydrophobicContact CD2-CG 3.57Å; Y160-Y213 VanDerWaalsContact CE2-CB 3.48Å; Y160-Y213 HydrophobicContact CE2-CD1 4.32Å; Y160-Y213 AromaticContact CE2-CD2 3.17Å; Y160-Y213 HydrophobicContact CE2-CD2 3.17Å; Y160-Y213 AromaticContact CE2-CE2 3.95Å; Y160-Y213 HydrophobicContact CE2-CE2 3.95Å; Y160-Y213 AromaticContact CE2-CG 3.39Å; Y160-Y213 HydrophobicContact CE2-CG 3.39Å; Y160-Y213 AromaticContact CZ-CD2 3.92Å; H209-Y213 AromaticContact CE1-CD2 3.78Å; H209-Y213 AromaticContact CE1-CE2 3.5Å; H209-Y213 AromaticContact ND1-CD2 3.64Å; H209-Y213 AromaticContact ND1-CE2 3.76Å; H209-Y213 AromaticContact NE2-CE2 3.99Å; H209-Y213 WeakPolarHBondContact O-CD2 3.47Å; H209-Y213 PolarHBondContact O-N 2.65Å; Y213-L216 HydrophobicContact CD1-CD2 4.32Å; Y213-L216 PolarHBondContact O-N 2.85Å; Y213-S217 WeakPolarHBondContact O-CB 3.41Å; Y213-S217 PolarHBondContact O-N 3.33Å; Y213-M223 HydrophobicContact CD1-CE 4.21Å; Y213-M223 HydrophobicContact CD1-SD 4.38Å
214W98Very high97.2Very high39 Ų3940.4 Ų40.415%0.14821%0.208CC..Hα-helixtrans-60.3-48.6173176.1-121.3000111.2V210 T211 L216 S217 K218 F225 T320 G321 I322V210-W214 VanDerWaalsContact O-CB 3.25Å; V210-W214 WeakPolarHBondContact O-CB 3.23Å; V210-W214 PolarHBondContact O-N 3.03Å; T211-W214 PolarHBondContact O-N 3.11Å; W214-L216 VanDerWaalsContact C-N 3.35Å; W214-L216 PolarHBondContact O-N 2.75Å; W214-S217 PolarHBondContact O-N 2.98Å; W214-S217 PolarHBondContact O-OG 3.49Å; W214-K218 VanDerWaalsContact CE2-CE 3.47Å; W214-K218 VanDerWaalsContact CH2-CE 3.44Å; W214-K218 PolarHBondContact O-N 2.81Å; W214-F225 HydrophobicContact CB-CE2 4.06Å; W214-F225 HydrophobicContact CB-CZ 3.93Å; W214-F225 HydrophobicContact CE3-CB 4.09Å; W214-F225 AromaticContact CE3-CD1 3.82Å; W214-F225 HydrophobicContact CE3-CD1 3.82Å; W214-F225 AromaticContact CE3-CD2 3.88Å; W214-F225 HydrophobicContact CE3-CD2 3.88Å; W214-F225 HydrophobicContact CE3-CE1 4.12Å; W214-F225 HydrophobicContact CE3-CE2 4.19Å; W214-F225 AromaticContact CE3-CG 3.68Å; W214-F225 HydrophobicContact CE3-CG 3.68Å; W214-F225 HydrophobicContact CE3-CZ 4.29Å; W214-F225 HydrophobicContact CZ3-CB 3.88Å; W214-F225 HydrophobicContact CZ3-CD1 4.1Å; W214-F225 AromaticContact CZ3-CG 3.94Å; W214-F225 HydrophobicContact CZ3-CG 3.94Å; W214-T320 VanDerWaalsContact CD1-O 3.32Å; W214-T320 PolarHBondContact NE1-O 3.25Å; W214-G321 WeakPolarHBondContact CZ2-O 3.42Å; W214-I322 HydrophobicContact CD2-CB 4.08Å; W214-I322 HydrophobicContact CD2-CD1 4.01Å; W214-I322 HydrophobicContact CD2-CG1 4.49Å; W214-I322 HydrophobicContact CE3-CD1 4.01Å; W214-I322 HydrophobicContact CG-CB 4.23Å; W214-I322 HydrophobicContact CG-CD1 4.32Å; W214-I322 HydrophobicContact CG-CG2 4.21Å; W214-I322 HydrophobicContact CZ2-CB 4.05Å; W214-I322 HydrophobicContact CZ3-CD1 4.39Å
215K97Very high97.3Very high133 Ų13340.8 Ų40.858%0.57821%0.209SC*.Hα-helixtrans-58.6-45.6174.8-71.3168.5-176.1174.50111.5T211 S212 S217 K218T211-K215 VanDerWaalsContact O-CG 3.27Å; T211-K215 WeakPolarHBondContact O-CG 3.29Å; T211-K215 PolarHBondContact O-N 2.72Å; S212-K215 PolarHBondContact O-N 3.17Å; K215-S217 VanDerWaalsContact C-N 3.33Å; K215-S217 PolarHBondContact O-N 3.14Å; K215-K218 PolarHBondContact O-N 3.28Å
216L97.2Very high97.3Very high22 Ų2240.2 Ų40.212%0.11521%0.205CC..Hα-helixtrans-60.8-41.7177.4-179.160.5000111.9L144 I152 S212 Y213 W214 K218 L219 N220 M223L144-L216 HydrophobicContact CD1-CD2 3.55Å; I152-L216 HydrophobicContact CG2-CD1 4.11Å; I152-L216 HydrophobicContact CG2-CD2 4.2Å; S212-L216 PolarHBondContact O-N 2.84Å; Y213-L216 HydrophobicContact CD1-CD2 4.32Å; Y213-L216 PolarHBondContact O-N 2.85Å; W214-L216 VanDerWaalsContact C-N 3.35Å; W214-L216 PolarHBondContact O-N 2.75Å; L216-K218 PolarHBondContact O-N 3.37Å; L216-K218 VanDerWaalsContact O-N 3.14Å; L216-L219 PolarHBondContact O-N 3.05Å; L216-N220 HydrophobicContact CD1-CB 4.12Å; L216-N220 HydrophobicContact CG-CB 4.3Å; L216-N220 WeakPolarHBondContact O-CB 3.44Å; L216-N220 PolarHBondContact O-N 2.88Å; L216-M223 HydrophobicContact CB-SD 4.37Å; L216-M223 HydrophobicContact CD2-CE 3.52Å; L216-M223 HydrophobicContact CD2-SD 4.25Å; L216-M223 HydrophobicContact CG-CE 3.97Å; L216-M223 HydrophobicContact CG-SD 4.18Å
217S96.9Very high97.3Very high19 Ų1941.9 Ų41.913%0.13321%0.212CC..Hα-helixtrans-62-22.4-18077.60000114Y213 W214 K215Y213-S217 WeakPolarHBondContact O-CB 3.41Å; Y213-S217 PolarHBondContact O-N 3.33Å; W214-S217 PolarHBondContact O-N 2.98Å; W214-S217 PolarHBondContact O-OG 3.49Å; K215-S217 VanDerWaalsContact C-N 3.33Å; K215-S217 PolarHBondContact O-N 3.14Å
218K95.7Very high97.4Very high135 Ų13542.3 Ų42.359%0.58721%0.214SC*.Hα-helixtrans-77.6-21.8174-61.2-60.6-176.8179.90113.3W214 K215 L216W214-K218 VanDerWaalsContact CE2-CE 3.47Å; W214-K218 VanDerWaalsContact CH2-CE 3.44Å; W214-K218 PolarHBondContact O-N 2.81Å; K215-K218 PolarHBondContact O-N 3.28Å; L216-K218 PolarHBondContact O-N 3.37Å; L216-K218 VanDerWaalsContact O-N 3.14Å
219L95.8Very high97.4Very high147 Ų14738.8 Ų38.877%0.7720%0.197SC*.Hα-helixtrans-104.3-24.3-176.6-58.1176.8000112.3L216L216-L219 PolarHBondContact O-N 3.05Å
220N95.7Very high97.4Very high10 Ų1040.7 Ų40.75%0.05321%0.207CC..  trans-109106.9-175.7-174.1-16.9000110.8I152 G154 L216 N222 M223I152-N220 PolarHBondContact O-ND2 3.22Å; G154-N220 VanDerWaalsContact CA-ND2 3.29Å; G154-N220 WeakPolarHBondContact CA-ND2 3.42Å; G154-N220 PolarHBondContact N-ND2 3.4Å; L216-N220 HydrophobicContact CD1-CB 4.12Å; L216-N220 HydrophobicContact CG-CB 4.3Å; L216-N220 WeakPolarHBondContact O-CB 3.44Å; L216-N220 PolarHBondContact O-N 2.88Å; N220-N222 PolarHBondContact O-N 2.85Å; N220-N222 WeakPolarHBondContact OD1-CA 3.4Å; N220-N222 WeakPolarHBondContact OD1-CB 3.4Å; N220-N222 PolarHBondContact OD1-N 3.17Å; N220-M223 HydrophobicContact CB-CB 4.28Å; N220-M223 PolarHBondContact O-N 3.36Å
221P95.8Very high97.3Very high112 Ų11240.8 Ų40.873%0.72721%0.208SC*.THydrogen-bonded Turntrans-67.4-17-179.628.7-35.3000113.5M223P221-M223 PolarHBondContact O-N 2.89Å
222N97.8Very high97.3Very high62 Ų6243.3 Ų43.333%0.33222%0.218SC..THydrogen-bonded Turntrans-87.318.3173.4-73.3-28.2000112.4G154 K157 V158 N220 F245G154-N222 PolarHBondContact O-ND2 2.79Å; K157-N222 CarbonylContact C-O 3.56Å; K157-N222 WeakPolarHBondContact CA-O 3.25Å; V158-N222 PolarHBondContact N-O 3Å; N220-N222 PolarHBondContact O-N 2.85Å; N220-N222 WeakPolarHBondContact OD1-CA 3.4Å; N220-N222 WeakPolarHBondContact OD1-CB 3.4Å; N220-N222 PolarHBondContact OD1-N 3.17Å; N222-F245 WeakPolarHBondContact O-CZ 3.42Å
223M98.3Very high97.2Very high12 Ų1247 Ų476%0.05924%0.24CC..EExtended strand (participates in β ladder)trans-126.2132.5173.2-175172.8-65.200111.4V158 Y213 L216 N220 P221V158-M223 HydrophobicContact CB-CB 4.31Å; V158-M223 HydrophobicContact CB-CE 3.81Å; V158-M223 HydrophobicContact CB-CG 4.08Å; V158-M223 HydrophobicContact CG1-CE 3.78Å; V158-M223 HydrophobicContact CG1-CG 4.31Å; V158-M223 HydrophobicContact CG2-CE 4.04Å; V158-M223 CarbonylContact O-C 3.59Å; V158-M223 VanDerWaalsContact O-CA 3.31Å; V158-M223 WeakPolarHBondContact O-CA 3.33Å; Y213-M223 HydrophobicContact CD1-CE 4.21Å; Y213-M223 HydrophobicContact CD1-SD 4.38Å; L216-M223 HydrophobicContact CB-SD 4.37Å; L216-M223 HydrophobicContact CD2-CE 3.52Å; L216-M223 HydrophobicContact CD2-SD 4.25Å; L216-M223 HydrophobicContact CG-CE 3.97Å; L216-M223 HydrophobicContact CG-SD 4.18Å; N220-M223 HydrophobicContact CB-CB 4.28Å; N220-M223 PolarHBondContact O-N 3.36Å; P221-M223 PolarHBondContact O-N 2.89Å
224I98.1Very high97.1Very high16 Ų1650.3 Ų50.38%0.08226%0.258CS..EExtended strand (participates in β ladder)trans-120.6140.5172.6-166.7166.7000111V158 V159 Y160 R241 L242 F245V158-I224 PolarHBondContact O-N 2.8Å; V159-I224 HydrophobicContact CB-CG2 4.24Å; V159-I224 HydrophobicContact CG1-CG2 4.1Å; V159-I224 HydrophobicContact CG2-CG2 3.97Å; Y160-I224 PolarHBondContact N-O 3.02Å; I224-R241 HydrophobicContact CD1-CG 3.91Å; I224-L242 HydrophobicContact CG2-CD2 4.26Å; I224-F245 HydrophobicContact CB-CD1 4.07Å; I224-F245 HydrophobicContact CB-CD2 3.82Å; I224-F245 HydrophobicContact CB-CE1 4.11Å; I224-F245 HydrophobicContact CB-CE2 3.87Å; I224-F245 HydrophobicContact CB-CG 3.91Å; I224-F245 HydrophobicContact CB-CZ 4.01Å; I224-F245 HydrophobicContact CD1-CB 3.82Å; I224-F245 HydrophobicContact CD1-CD2 4.32Å; I224-F245 HydrophobicContact CD1-CG 4.01Å; I224-F245 HydrophobicContact CG2-CD1 3.45Å; I224-F245 VanDerWaalsContact CG2-CD1 3.45Å; I224-F245 HydrophobicContact CG2-CD2 4.17Å; I224-F245 HydrophobicContact CG2-CE1 3.48Å; I224-F245 VanDerWaalsContact CG2-CE1 3.48Å; I224-F245 HydrophobicContact CG2-CE2 4.19Å; I224-F245 HydrophobicContact CG2-CG 3.8Å; I224-F245 HydrophobicContact CG2-CZ 3.85Å
225F96.8Very high97.1Very high12 Ų1249.5 Ų49.55%0.05326%0.256CS..EExtended strand (participates in β ladder)trans-98.4130174.6-128.9-104.8000110.9Y160 C162 V210 W214 R241 I322Y160-F225 HydrophobicContact CD1-CD1 4.23Å; Y160-F225 AromaticContact CD1-CD2 3.65Å; Y160-F225 HydrophobicContact CD1-CD2 3.65Å; Y160-F225 AromaticContact CD1-CE1 3.76Å; Y160-F225 HydrophobicContact CD1-CE1 3.76Å; Y160-F225 AromaticContact CD1-CE2 3.07Å; Y160-F225 HydrophobicContact CD1-CE2 3.07Å; Y160-F225 HydrophobicContact CD1-CG 4.2Å; Y160-F225 AromaticContact CD1-CZ 3.15Å; Y160-F225 HydrophobicContact CD1-CZ 3.15Å; Y160-F225 HydrophobicContact CD2-CE2 4.47Å; Y160-F225 AromaticContact CE1-CE1 3.96Å; Y160-F225 HydrophobicContact CE1-CE1 3.96Å; Y160-F225 AromaticContact CE1-CE2 3.62Å; Y160-F225 HydrophobicContact CE1-CE2 3.62Å; Y160-F225 AromaticContact CE1-CZ 3.26Å; Y160-F225 HydrophobicContact CE1-CZ 3.26Å; Y160-F225 AromaticContact CG-CD2 3.97Å; Y160-F225 HydrophobicContact CG-CD2 3.97Å; Y160-F225 AromaticContact CG-CE2 3.56Å; Y160-F225 HydrophobicContact CG-CE2 3.56Å; Y160-F225 HydrophobicContact CG-CZ 4.1Å; Y160-F225 CarbonylContact O-C 3.58Å; Y160-F225 WeakPolarHBondContact O-CA 3.37Å; C162-F225 HydrophobicContact CB-CD1 4.26Å; C162-F225 HydrophobicContact CB-CE1 3.58Å; C162-F225 HydrophobicContact CB-CZ 4.27Å; C162-F225 WeakPolarHBondContact SG-CD1 3.44Å; C162-F225 WeakPolarHBondContact SG-CE1 3.49Å; V210-F225 HydrophobicContact CG1-CE1 4.37Å; V210-F225 HydrophobicContact CG1-CZ 4.17Å; W214-F225 HydrophobicContact CB-CE2 4.06Å; W214-F225 HydrophobicContact CB-CZ 3.93Å; W214-F225 HydrophobicContact CE3-CB 4.09Å; W214-F225 AromaticContact CE3-CD1 3.82Å; W214-F225 HydrophobicContact CE3-CD1 3.82Å; W214-F225 AromaticContact CE3-CD2 3.88Å; W214-F225 HydrophobicContact CE3-CD2 3.88Å; W214-F225 HydrophobicContact CE3-CE1 4.12Å; W214-F225 HydrophobicContact CE3-CE2 4.19Å; W214-F225 AromaticContact CE3-CG 3.68Å; W214-F225 HydrophobicContact CE3-CG 3.68Å; W214-F225 HydrophobicContact CE3-CZ 4.29Å; W214-F225 HydrophobicContact CZ3-CB 3.88Å; W214-F225 HydrophobicContact CZ3-CD1 4.1Å; W214-F225 AromaticContact CZ3-CG 3.94Å; W214-F225 HydrophobicContact CZ3-CG 3.94Å; F225-R241 VanDerWaalsContact O-CZ 3.31Å; F225-R241 PolarHBondContact O-NH1 3.23Å; F225-R241 PolarHBondContact O-NH2 3.19Å; F225-I322 HydrophobicContact CD1-CD1 3.84Å; F225-I322 HydrophobicContact CE1-CD1 3.39Å; F225-I322 HydrophobicContact CZ-CD1 4.25Å
226V98.1Very high97.1Very high0 Ų047.9 Ų47.90%025%0.247CC..EExtended strand (participates in β ladder)trans-124.7115.4178.9-177.20000108.8V73 V159 Y160 V161 C162 M231 L242V73-V226 HydrophobicContact CG2-CG1 4.5Å; V159-V226 HydrophobicContact CG1-CG2 3.84Å; Y160-V226 PolarHBondContact O-N 3Å; V161-V226 WeakPolarHBondContact CA-O 3.14Å; C162-V226 PolarHBondContact N-O 3.49Å; V226-M231 HydrophobicContact CG1-CE 4.01Å; V226-M231 HydrophobicContact CG1-CG 3.79Å; V226-M231 HydrophobicContact CG1-SD 3.62Å; V226-L242 HydrophobicContact CG2-CD2 3.98Å
227K98Very high97.1Very high36 Ų3649.1 Ų49.116%0.15726%0.257CS..EExtended strand (participates in β ladder)trans-80.7135.4172.6-59.4-165.5-65.9162.20109.7C162 E229 D230 M231 D323 F324 D325C162-K227 CarbonylContact O-C 3.5Å; C162-K227 WeakPolarHBondContact O-CA 3.43Å; C162-K227 VanDerWaalsContact SG-CG 3.6Å; K227-E229 PolarHBondContact O-N 2.82Å; K227-D230 HydrophobicContact CB-CB 4.16Å; K227-D230 WeakPolarHBondContact CE-OD1 3.48Å; K227-D230 WeakPolarHBondContact CE-OD2 2.76Å; K227-D230 IonicContact NZ-OD1 2.65Å; K227-D230 PolarHBondContact NZ-OD1 2.96Å; K227-D230 PolarHBondContact O-N 2.88Å; K227-M231 PolarHBondContact O-N 2.77Å; K227-D323 WeakPolarHBondContact CD-O 3.21Å; K227-D323 PolarHBondContact NZ-O 3.21Å; K227-F324 HydrophobicContact CD-CD1 4.35Å; K227-F324 HydrophobicContact CD-CE1 4.43Å; K227-D325 IonicContact NZ-OD2 2.92Å; K227-D325 PolarHBondContact NZ-OD2 2.76Å
228Y98.2Very high97.2Very high13 Ų1349.5 Ų49.55%0.05126%0.256CS..Hα-helixtrans-56-41.2171.8-177.5-86.8000110.9W72 C162 R163 M231 Q232 G292 V294W72-Y228 AromaticContact CE3-CD2 3.81Å; W72-Y228 HydrophobicContact CE3-CD2 3.81Å; W72-Y228 AromaticContact CE3-CE2 3.5Å; W72-Y228 HydrophobicContact CE3-CE2 3.5Å; W72-Y228 VanDerWaalsContact CE3-CE2 3.5Å; W72-Y228 HydrophobicContact CZ3-CD2 4.01Å; W72-Y228 HydrophobicContact CZ3-CE1 4.5Å; W72-Y228 AromaticContact CZ3-CE2 3.73Å; W72-Y228 HydrophobicContact CZ3-CE2 3.73Å; W72-Y228 AromaticContact CZ3-CZ 3.97Å; C162-Y228 WeakPolarHBondContact O-CB 3.44Å; C162-Y228 PolarHBondContact O-N 3.49Å; R163-Y228 HydrophobicContact CB-CG 4.35Å; R163-Y228 HydrophobicContact CG-CD1 4.14Å; R163-Y228 HydrophobicContact CG-CG 3.97Å; Y228-M231 HydrophobicContact CD2-CE 4.41Å; Y228-M231 PolarHBondContact O-N 2.79Å; Y228-Q232 HydrophobicContact CD1-CG 3.97Å; Y228-Q232 HydrophobicContact CE1-CG 3.6Å; Y228-Q232 WeakPolarHBondContact O-CG 3.31Å; Y228-Q232 PolarHBondContact O-N 2.85Å; Y228-Q232 VanDerWaalsContact O-N 3.14Å; Y228-Q232 PolarHBondContact OH-NE2 2.89Å; Y228-Q232 VanDerWaalsContact OH-NE2 3.1Å; Y228-G292 WeakPolarHBondContact OH-CA 3.37Å; Y228-G292 PolarHBondContact OH-O 3.48Å; Y228-V294 HydrophobicContact CD1-CG2 4.03Å; Y228-V294 HydrophobicContact CE1-CG2 3.99Å
229E98.1Very high97.3Very high0 Ų043 Ų430%023%0.229CC..Hα-helixtrans-62.3-45.2179.4-64.967.5-148.100111.5R163 N164 K227 M231 Q232 V233 V294 D325R163-E229 WeakPolarHBondContact CG-OE1 3.31Å; N164-E229 PolarHBondContact N-OE1 2.86Å; N164-E229 PolarHBondContact N-OE2 3.31Å; N164-E229 PolarHBondContact ND2-OE1 3.19Å; K227-E229 PolarHBondContact O-N 2.82Å; E229-M231 VanDerWaalsContact C-N 3.25Å; E229-M231 PolarHBondContact O-N 2.91Å; E229-Q232 WeakPolarHBondContact O-CA 3.25Å; E229-Q232 WeakPolarHBondContact O-CB 3.46Å; E229-Q232 PolarHBondContact O-N 2.87Å; E229-V233 WeakPolarHBondContact O-CG2 3.47Å; E229-V233 PolarHBondContact O-N 2.78Å; E229-V294 HydrophobicContact CG-CG1 4.41Å; E229-V294 HydrophobicContact CG-CG2 4.2Å; E229-D325 HydrophobicContact CB-CB 4.07Å; E229-D325 HydrophobicContact CG-CB 3.96Å; E229-D325 VanDerWaalsContact CG-O 3.26Å; E229-D325 WeakPolarHBondContact CG-O 3.19Å
230D97.7Very high97.4Very high44 Ų4440.9 Ų40.924%0.23521%0.214CC..Hα-helixtrans-62.6-34177.8-65.8-17.4000112K227 Q232 V233 D234 Q238K227-D230 HydrophobicContact CB-CB 4.16Å; K227-D230 WeakPolarHBondContact CE-OD1 3.48Å; K227-D230 WeakPolarHBondContact CE-OD2 2.76Å; K227-D230 IonicContact NZ-OD1 2.65Å; K227-D230 PolarHBondContact NZ-OD1 2.96Å; K227-D230 PolarHBondContact O-N 2.88Å; D230-Q232 VanDerWaalsContact C-N 3.31Å; D230-V233 PolarHBondContact O-N 3.34Å; D230-D234 PolarHBondContact O-N 3.48Å; D230-Q238 HydrophobicContact CB-CG 4.02Å
231M97.6Very high97.5Very high3 Ų345 Ų452%0.01523%0.229CC..Hα-helixtrans-71.1-27.2174.9-66.4-171.8-67.800112.6W72 V73 I76 V161 V226 K227 Y228 E229 L235 Q238W72-M231 HydrophobicContact CD2-CE 4.28Å; W72-M231 HydrophobicContact CE3-CB 4.31Å; W72-M231 HydrophobicContact CE3-CE 3.57Å; W72-M231 HydrophobicContact CE3-SD 4.24Å; W72-M231 HydrophobicContact CH2-CB 3.6Å; W72-M231 HydrophobicContact CZ2-CB 4.35Å; W72-M231 HydrophobicContact CZ3-CB 3.57Å; W72-M231 HydrophobicContact CZ3-CE 3.88Å; W72-M231 HydrophobicContact CZ3-SD 4.43Å; V73-M231 HydrophobicContact CG2-CE 3.6Å; V73-M231 HydrophobicContact CG2-SD 3.73Å; I76-M231 HydrophobicContact CD1-SD 4.04Å; V161-M231 HydrophobicContact CG1-CE 4.32Å; V226-M231 HydrophobicContact CG1-CE 4.01Å; V226-M231 HydrophobicContact CG1-CG 3.79Å; V226-M231 HydrophobicContact CG1-SD 3.62Å; K227-M231 PolarHBondContact O-N 2.77Å; Y228-M231 HydrophobicContact CD2-CE 4.41Å; Y228-M231 PolarHBondContact O-N 2.79Å; E229-M231 VanDerWaalsContact C-N 3.25Å; E229-M231 PolarHBondContact O-N 2.91Å; M231-L235 HydrophobicContact CB-CD1 4.22Å; M231-L235 WeakPolarHBondContact O-CA 3.23Å; M231-L235 WeakPolarHBondContact O-CB 3.35Å; M231-L235 PolarHBondContact O-N 3.24Å; M231-Q238 HydrophobicContact CG-CB 3.96Å; M231-Q238 HydrophobicContact CG-CG 3.96Å
232Q96Very high97.7Very high69 Ų6939.8 Ų39.832%0.32220%0.195SC..Hα-helixtrans-75.6-35.1174.2-68.3-76.1-31.400111.5W72 Y228 E229 D230 G292 V294 M328W72-Q232 HydrophobicContact CH2-CG 4.16Å; W72-Q232 HydrophobicContact CZ3-CG 4.11Å; W72-Q232 VanDerWaalsContact CZ3-NE2 3.28Å; Y228-Q232 HydrophobicContact CD1-CG 3.97Å; Y228-Q232 HydrophobicContact CE1-CG 3.6Å; Y228-Q232 WeakPolarHBondContact O-CG 3.31Å; Y228-Q232 PolarHBondContact O-N 2.85Å; Y228-Q232 VanDerWaalsContact O-N 3.14Å; Y228-Q232 PolarHBondContact OH-NE2 2.89Å; Y228-Q232 VanDerWaalsContact OH-NE2 3.1Å; E229-Q232 WeakPolarHBondContact O-CA 3.25Å; E229-Q232 WeakPolarHBondContact O-CB 3.46Å; E229-Q232 PolarHBondContact O-N 2.87Å; D230-Q232 VanDerWaalsContact C-N 3.31Å; Q232-G292 PolarHBondContact NE2-O 3.41Å; Q232-G292 PolarHBondContact OE1-O 2.95Å; Q232-V294 HydrophobicContact CB-CG2 4.36Å; Q232-V294 HydrophobicContact CG-CG2 3.99Å; Q232-M328 HydrophobicContact CB-CE 3.94Å; Q232-M328 HydrophobicContact CB-SD 4.23Å
233V95.9Very high97.7Very high103 Ų10337.9 Ų37.962%0.62419%0.185SC*.Hα-helixtrans-71.7-54.3176.6176.70000111.3E229 D230 M328E229-V233 WeakPolarHBondContact O-CG2 3.47Å; E229-V233 PolarHBondContact O-N 2.78Å; D230-V233 PolarHBondContact O-N 3.34Å; V233-M328 HydrophobicContact CB-CE 4.3Å; V233-M328 HydrophobicContact CG2-CE 3.41Å; V233-M328 VanDerWaalsContact CG2-CE 3.41Å; V233-M328 HydrophobicContact CG2-SD 4.26Å
234D96.4Very high97.7Very high69 Ų6946 Ų4637%0.36922%0.22SC..  trans-146.183.6-176.9-173.6-10.2000111.3D230 R236 S237 Q238D230-D234 PolarHBondContact O-N 3.48Å; D234-R236 VanDerWaalsContact C-N 3.28Å; D234-R236 PolarHBondContact O-N 3.16Å; D234-R236 PolarHBondContact OD1-N 3.3Å; D234-S237 VanDerWaalsContact CG-CB 3.43Å; D234-S237 PolarHBondContact O-N 3.1Å; D234-S237 PolarHBondContact OD1-N 2.75Å; D234-S237 PolarHBondContact OD1-OG 3Å; D234-S237 WeakPolarHBondContact OD2-CB 3.23Å; D234-S237 PolarHBondContact OD2-OG 2.83Å; D234-Q238 WeakPolarHBondContact O-CG 3.3Å; D234-Q238 PolarHBondContact O-N 3.33Å; D234-Q238 VanDerWaalsContact O-N 3.17Å
235L97.1Very high97.7Very high22 Ų2247 Ų4712%0.11522%0.223CC..Hα-helixtrans-57.9-39.2178.7-17759.6000112.6W72 I76 M231 Q238 I239 I259 V262W72-L235 HydrophobicContact CH2-CD1 4.44Å; W72-L235 HydrophobicContact CZ2-CD1 3.81Å; W72-L235 HydrophobicContact CZ2-CD2 4.24Å; I76-L235 HydrophobicContact CD1-CD1 4.01Å; M231-L235 HydrophobicContact CB-CD1 4.22Å; M231-L235 WeakPolarHBondContact O-CA 3.23Å; M231-L235 WeakPolarHBondContact O-CB 3.35Å; M231-L235 PolarHBondContact O-N 3.24Å; L235-Q238 PolarHBondContact O-N 3.31Å; L235-I239 HydrophobicContact CD1-CD1 4.03Å; L235-I239 HydrophobicContact CD1-CG1 4.27Å; L235-I239 HydrophobicContact CD2-CD1 4.47Å; L235-I239 HydrophobicContact CG-CD1 3.85Å; L235-I239 HydrophobicContact CG-CG1 4.47Å; L235-I239 WeakPolarHBondContact O-CG1 3.45Å; L235-I239 PolarHBondContact O-N 3.45Å; L235-I259 HydrophobicContact CD2-CG2 4.35Å; L235-V262 HydrophobicContact CD2-CG2 3.94Å
236R97.2Very high97.8Very high100 Ų10046.9 Ų46.938%0.37722%0.223SC..Hα-helixtrans-66.8-46-175.4-179.2174.6-67-88.71.7110.6D234 Q238 I239 Q240 D256 I259D234-R236 VanDerWaalsContact C-N 3.28Å; D234-R236 PolarHBondContact O-N 3.16Å; D234-R236 PolarHBondContact OD1-N 3.3Å; R236-Q238 VanDerWaalsContact C-N 3.33Å; R236-Q238 PolarHBondContact O-N 3.11Å; R236-I239 PolarHBondContact O-N 2.94Å; R236-Q240 WeakPolarHBondContact O-CG 3.23Å; R236-Q240 PolarHBondContact O-N 2.62Å; R236-D256 IonicContact CZ-OD1 3.71Å; R236-D256 IonicContact NH1-OD1 2.65Å; R236-D256 PolarHBondContact NH1-OD1 3.01Å; R236-D256 IonicContact NH2-OD1 2.77Å; R236-D256 PolarHBondContact NH2-OD1 3.06Å; R236-I259 HydrophobicContact CB-CD1 4Å; R236-I259 HydrophobicContact CG-CD1 4.08Å
237S97.9Very high97.7Very high48 Ų4852.3 Ų52.334%0.33625%0.252SS..Hα-helixtrans-63.5-38.8176.9-670000111.9D234 Q240 R241D234-S237 VanDerWaalsContact CG-CB 3.43Å; D234-S237 PolarHBondContact O-N 3.1Å; D234-S237 PolarHBondContact OD1-N 2.75Å; D234-S237 PolarHBondContact OD1-OG 3Å; D234-S237 WeakPolarHBondContact OD2-CB 3.23Å; D234-S237 PolarHBondContact OD2-OG 2.83Å; S237-Q240 PolarHBondContact O-N 2.66Å; S237-R241 WeakPolarHBondContact O-CB 3.25Å; S237-R241 PolarHBondContact O-N 2.75Å
238Q98.3Very high97.7Very high26 Ų2651.9 Ų51.912%0.12125%0.253CS..Hα-helixtrans-65.6-38.9174.5-66.3-51.1-46.600112.6D230 M231 D234 L235 R236 R241 L242D230-Q238 HydrophobicContact CB-CG 4.02Å; M231-Q238 HydrophobicContact CG-CB 3.96Å; M231-Q238 HydrophobicContact CG-CG 3.96Å; D234-Q238 WeakPolarHBondContact O-CG 3.3Å; D234-Q238 PolarHBondContact O-N 3.33Å; D234-Q238 VanDerWaalsContact O-N 3.17Å; L235-Q238 PolarHBondContact O-N 3.31Å; R236-Q238 VanDerWaalsContact C-N 3.33Å; R236-Q238 PolarHBondContact O-N 3.11Å; Q238-R241 PolarHBondContact O-N 2.63Å; Q238-R241 VanDerWaalsContact OE1-NH1 3.14Å; Q238-L242 PolarHBondContact O-N 3.49Å
239I98.4Very high97.6Very high0 Ų059.3 Ų59.30%029%0.288CS..Hα-helixtrans-63.5-43.6174-73.6170.1000111I76 L80 L235 R236 R241 L242 I243 I255 V258 I259I76-I239 HydrophobicContact CG2-CG1 3.92Å; L80-I239 HydrophobicContact CD1-CG2 4.41Å; L80-I239 HydrophobicContact CD2-CG2 4.38Å; L235-I239 HydrophobicContact CD1-CD1 4.03Å; L235-I239 HydrophobicContact CD1-CG1 4.27Å; L235-I239 HydrophobicContact CD2-CD1 4.47Å; L235-I239 HydrophobicContact CG-CD1 3.85Å; L235-I239 HydrophobicContact CG-CG1 4.47Å; L235-I239 WeakPolarHBondContact O-CG1 3.45Å; L235-I239 PolarHBondContact O-N 3.45Å; R236-I239 PolarHBondContact O-N 2.94Å; I239-R241 VanDerWaalsContact C-N 3.29Å; I239-R241 PolarHBondContact O-N 3.04Å; I239-L242 WeakPolarHBondContact O-CB 3.28Å; I239-L242 PolarHBondContact O-N 2.94Å; I239-I243 HydrophobicContact CG2-CD1 3.73Å; I239-I243 HydrophobicContact CG2-CG1 4.32Å; I239-I243 VanDerWaalsContact O-CG1 3.27Å; I239-I243 WeakPolarHBondContact O-CG1 3.42Å; I239-I243 PolarHBondContact O-N 2.78Å; I239-I255 HydrophobicContact CG2-CG2 4.19Å; I239-V258 HydrophobicContact CD1-CG1 4.08Å; I239-I259 HydrophobicContact CD1-CD1 4.45Å; I239-I259 HydrophobicContact CD1-CG1 3.54Å
240Q98.1Very high97.5Very high101 Ų10160.3 Ų60.347%0.47229%0.294SS..Hα-helixtrans-61-38.9176.1-72.8174.5-21.200112.4R236 S237 I243 K244R236-Q240 WeakPolarHBondContact O-CG 3.23Å; R236-Q240 PolarHBondContact O-N 2.62Å; S237-Q240 PolarHBondContact O-N 2.66Å; Q240-I243 WeakPolarHBondContact O-CB 3.45Å; Q240-I243 PolarHBondContact O-N 2.91Å; Q240-K244 PolarHBondContact O-N 3.22Å
241R98.3Very high97.4Very high98 Ų9861.9 Ų61.937%0.3731%0.306SS..Hα-helixtrans-64.6-40.8175-176.5175.1164-117.3-6.2111.8I224 F225 S237 Q238 I239 F245I224-R241 HydrophobicContact CD1-CG 3.91Å; F225-R241 VanDerWaalsContact O-CZ 3.31Å; F225-R241 PolarHBondContact O-NH1 3.23Å; F225-R241 PolarHBondContact O-NH2 3.19Å; S237-R241 WeakPolarHBondContact O-CB 3.25Å; S237-R241 PolarHBondContact O-N 2.75Å; Q238-R241 PolarHBondContact O-N 2.63Å; Q238-R241 VanDerWaalsContact OE1-NH1 3.14Å; I239-R241 VanDerWaalsContact C-N 3.29Å; I239-R241 PolarHBondContact O-N 3.04Å; R241-F245 PolarHBondContact O-N 3.14Å; R241-F245 VanDerWaalsContact O-N 3.11Å
242L98.7Very high97.3Very high2 Ų266.1 Ų66.11%0.0134%0.335CS..Hα-helixtrans-64.3-43.5172.5-76.5170.6000112I76 L80 V159 I224 V226 Q238 I239 K244 F245 L246I76-L242 HydrophobicContact CG2-CD1 3.83Å; L80-L242 HydrophobicContact CD1-CB 4.45Å; V159-L242 HydrophobicContact CG1-CD2 3.78Å; V159-L242 HydrophobicContact CG2-CD2 4.12Å; I224-L242 HydrophobicContact CG2-CD2 4.26Å; V226-L242 HydrophobicContact CG2-CD2 3.98Å; Q238-L242 PolarHBondContact O-N 3.49Å; I239-L242 WeakPolarHBondContact O-CB 3.28Å; I239-L242 PolarHBondContact O-N 2.94Å; L242-K244 VanDerWaalsContact C-N 3.32Å; L242-K244 PolarHBondContact O-N 2.96Å; L242-F245 PolarHBondContact O-N 2.78Å; L242-L246 HydrophobicContact CB-CD1 4.36Å; L242-L246 VanDerWaalsContact O-CB 3.26Å; L242-L246 WeakPolarHBondContact O-CB 3.43Å; L242-L246 WeakPolarHBondContact O-CG 3.29Å; L242-L246 PolarHBondContact O-N 3.49Å
243I98.6Very high97.2Very high22 Ų2269.4 Ų69.411%0.11335%0.351CS..Hα-helixtrans-55.2-48.3176.5-74.7165.2000110.7L80 I239 Q240 F245 L246 D247 V248 P250 I255L80-I243 HydrophobicContact CD1-CG1 4Å; L80-I243 HydrophobicContact CD2-CD1 4Å; L80-I243 HydrophobicContact CD2-CG1 3.81Å; I239-I243 HydrophobicContact CG2-CD1 3.73Å; I239-I243 HydrophobicContact CG2-CG1 4.32Å; I239-I243 VanDerWaalsContact O-CG1 3.27Å; I239-I243 WeakPolarHBondContact O-CG1 3.42Å; I239-I243 PolarHBondContact O-N 2.78Å; Q240-I243 WeakPolarHBondContact O-CB 3.45Å; Q240-I243 PolarHBondContact O-N 2.91Å; I243-F245 PolarHBondContact O-N 3.03Å; I243-L246 PolarHBondContact O-N 2.95Å; I243-D247 PolarHBondContact O-N 2.85Å; I243-V248 HydrophobicContact CB-CG2 4.28Å; I243-V248 HydrophobicContact CG1-CG2 4.18Å; I243-V248 HydrophobicContact CG2-CG2 4.17Å; I243-V248 WeakPolarHBondContact CG2-O 3.29Å; I243-V248 PolarHBondContact O-N 3.26Å; I243-P250 HydrophobicContact CD1-CG 3.53Å; I243-P250 HydrophobicContact CG1-CG 3.89Å; I243-P250 HydrophobicContact CG2-CG 4.26Å; I243-I255 HydrophobicContact CD1-CD1 3.73Å; I243-I255 HydrophobicContact CD1-CG1 3.77Å
244K98.3Very high97.1Very high182 Ų18267.8 Ų67.879%0.79134%0.337SS*.Hα-helixtrans-61.7-42.9177.2-176.9178.4178.8179.30112.5Q240 L242Q240-K244 PolarHBondContact O-N 3.22Å; L242-K244 VanDerWaalsContact C-N 3.32Å; L242-K244 PolarHBondContact O-N 2.96Å
245F98.5Very high97.1Very high36 Ų3665.4 Ų65.416%0.15832%0.324CS..Hα-helixtrans-69.6-42.8179.6171.8-100.8000112.6K157 V159 N222 I224 R241 L242 I243 D247K157-F245 HydrophobicContact CB-CE1 3.98Å; K157-F245 HydrophobicContact CB-CZ 4.09Å; K157-F245 HydrophobicContact CD-CE1 4.3Å; K157-F245 WeakPolarHBondContact CE-O 3.31Å; K157-F245 HydrophobicContact CG-CE1 4.4Å; K157-F245 HydrophobicContact CG-CZ 4.34Å; K157-F245 PolarHBondContact NZ-O 3.13Å; V159-F245 HydrophobicContact CG2-CD1 4.34Å; V159-F245 HydrophobicContact CG2-CE1 3.98Å; N222-F245 WeakPolarHBondContact O-CZ 3.42Å; I224-F245 HydrophobicContact CB-CD1 4.07Å; I224-F245 HydrophobicContact CB-CD2 3.82Å; I224-F245 HydrophobicContact CB-CE1 4.11Å; I224-F245 HydrophobicContact CB-CE2 3.87Å; I224-F245 HydrophobicContact CB-CG 3.91Å; I224-F245 HydrophobicContact CB-CZ 4.01Å; I224-F245 HydrophobicContact CD1-CB 3.82Å; I224-F245 HydrophobicContact CD1-CD2 4.32Å; I224-F245 HydrophobicContact CD1-CG 4.01Å; I224-F245 HydrophobicContact CG2-CD1 3.45Å; I224-F245 VanDerWaalsContact CG2-CD1 3.45Å; I224-F245 HydrophobicContact CG2-CD2 4.17Å; I224-F245 HydrophobicContact CG2-CE1 3.48Å; I224-F245 VanDerWaalsContact CG2-CE1 3.48Å; I224-F245 HydrophobicContact CG2-CE2 4.19Å; I224-F245 HydrophobicContact CG2-CG 3.8Å; I224-F245 HydrophobicContact CG2-CZ 3.85Å; R241-F245 PolarHBondContact O-N 3.14Å; R241-F245 VanDerWaalsContact O-N 3.11Å; L242-F245 PolarHBondContact O-N 2.78Å; I243-F245 PolarHBondContact O-N 3.03Å; F245-D247 PolarHBondContact O-N 2.92Å
246L98.2Very high97.1Very high10 Ų1067.9 Ų67.95%0.05234%0.337CS..Hα-helixtrans-73.2-14.2179.2-65.9170.7000112.4I60 V77 L80 K157 V159 L242 I243 V248I60-L246 HydrophobicContact CD1-CD2 3.86Å; I60-L246 HydrophobicContact CG1-CD2 4.21Å; I60-L246 HydrophobicContact CG2-CD2 4.23Å; V77-L246 HydrophobicContact CB-CD1 4.49Å; V77-L246 HydrophobicContact CG1-CD1 3.97Å; V77-L246 HydrophobicContact CG1-CD2 4.39Å; V77-L246 HydrophobicContact CG2-CD1 4.24Å; L80-L246 HydrophobicContact CD1-CD1 4.33Å; K157-L246 HydrophobicContact CD-CD2 4.36Å; K157-L246 PolarHBondContact NZ-O 2.8Å; V159-L246 HydrophobicContact CG2-CD2 4.39Å; L242-L246 HydrophobicContact CB-CD1 4.36Å; L242-L246 VanDerWaalsContact O-CB 3.26Å; L242-L246 WeakPolarHBondContact O-CB 3.43Å; L242-L246 WeakPolarHBondContact O-CG 3.29Å; L242-L246 PolarHBondContact O-N 3.49Å; I243-L246 PolarHBondContact O-N 2.95Å; L246-V248 HydrophobicContact CB-CG1 4.26Å; L246-V248 HydrophobicContact CB-CG2 4.16Å
247D97.4Very high97Very high114 Ų11467.2 Ų67.261%0.6134%0.342SS*.THydrogen-bonded Turntrans57.151-179-163.534.7000111.3I243 F245 H249I243-D247 PolarHBondContact O-N 2.85Å; F245-D247 PolarHBondContact O-N 2.92Å; D247-H249 IonicContact OD1-CE1 2.65Å
248V97.2Very high96.9Very high28 Ų2865.1 Ų65.117%0.1733%0.327CS..  trans-114.9157.4176.8-65.20000110L80 I243 L246 P250L80-V248 HydrophobicContact CB-CG2 4.43Å; I243-V248 HydrophobicContact CB-CG2 4.28Å; I243-V248 HydrophobicContact CG1-CG2 4.18Å; I243-V248 HydrophobicContact CG2-CG2 4.17Å; I243-V248 WeakPolarHBondContact CG2-O 3.29Å; I243-V248 PolarHBondContact O-N 3.26Å; L246-V248 HydrophobicContact CB-CG1 4.26Å; L246-V248 HydrophobicContact CB-CG2 4.16Å; V248-P250 VanDerWaalsContact C-CD 3.44Å; V248-P250 WeakPolarHBondContact O-CD 3.42Å
249H96.2Very high96.9Very high168 Ų16865.2 Ų65.278%0.77833%0.328SS*.  trans-128.262.6-174.9-53.9-57.7000112.1D247D247-H249 IonicContact OD1-CE1 2.65Å
250P95.9Very high96.7Very high21 Ų2171.2 Ų71.214%0.13636%0.355CS..  trans-68.1149.5175.731.7-36.1000110.9L80 I243 V248 M254 I255L80-P250 HydrophobicContact CD2-CG 4.12Å; I243-P250 HydrophobicContact CD1-CG 3.53Å; I243-P250 HydrophobicContact CG1-CG 3.89Å; I243-P250 HydrophobicContact CG2-CG 4.26Å; V248-P250 VanDerWaalsContact C-CD 3.44Å; V248-P250 WeakPolarHBondContact O-CD 3.42Å; P250-M254 HydrophobicContact CB-CB 3.81Å; P250-M254 HydrophobicContact CB-CE 4.07Å; P250-M254 HydrophobicContact CB-SD 4.18Å; P250-I255 HydrophobicContact CB-CG1 4.17Å; P250-I255 HydrophobicContact CG-CD1 4.21Å; P250-I255 HydrophobicContact CG-CG1 3.84Å
251T95.5Very high96.5Very high78 Ų7868.3 Ų68.348%0.47935%0.345SS..  trans-69.9162.8169.568.20000110.7E253 M254 I255T251-E253 PolarHBondContact O-N 3.49Å; T251-M254 HydrophobicContact CG2-SD 4.24Å; T251-M254 WeakPolarHBondContact O-CB 3.46Å; T251-M254 PolarHBondContact O-N 2.9Å; T251-M254 VanDerWaalsContact O-N 3.08Å; T251-M254 WeakPolarHBondContact OG1-CG 3.38Å; T251-M254 PolarHBondContact OG1-N 3.07Å; T251-I255 WeakPolarHBondContact O-CG1 3.31Å; T251-I255 PolarHBondContact O-N 3.36Å
252S94.7Very high96.3Very high91 Ų9163.7 Ų63.764%0.63633%0.327SS*.Hα-helixtrans-55.8-38.8174.4-56.90000112.4I255 D256S252-I255 WeakPolarHBondContact O-CB 3.43Å; S252-I255 PolarHBondContact O-N 2.9Å; S252-D256 VanDerWaalsContact O-CG 3.26Å; S252-D256 PolarHBondContact O-N 3.13Å
253E95Very high96Very high138 Ų13867.5 Ų67.565%0.64535%0.345SS*.Hα-helixtrans-63.4-42.5175.7-175.8-177.5-17800111.9T251 I255 D256 N257T251-E253 PolarHBondContact O-N 3.49Å; E253-I255 VanDerWaalsContact C-N 3.29Å; E253-I255 PolarHBondContact O-N 3.09Å; E253-D256 PolarHBondContact O-N 2.76Å; E253-N257 WeakPolarHBondContact O-CB 3.32Å; E253-N257 VanDerWaalsContact O-CG 3.27Å; E253-N257 PolarHBondContact O-N 3.28Å; E253-N257 PolarHBondContact O-ND2 3.44Å
254M94.4Very high95.7Very high70 Ų7069.4 Ų69.435%0.34535%0.353SS..Hα-helixtrans-61.3-39.6174.3-70.1169.872.700111.4P250 T251 N257 V258P250-M254 HydrophobicContact CB-CB 3.81Å; P250-M254 HydrophobicContact CB-CE 4.07Å; P250-M254 HydrophobicContact CB-SD 4.18Å; T251-M254 HydrophobicContact CG2-SD 4.24Å; T251-M254 WeakPolarHBondContact O-CB 3.46Å; T251-M254 PolarHBondContact O-N 2.9Å; T251-M254 VanDerWaalsContact O-N 3.08Å; T251-M254 WeakPolarHBondContact OG1-CG 3.38Å; T251-M254 PolarHBondContact OG1-N 3.07Å; M254-N257 PolarHBondContact O-N 2.87Å; M254-V258 WeakPolarHBondContact O-CG2 3.25Å; M254-V258 PolarHBondContact O-N 3.39Å
255I96.3Very high95.2Very high19 Ų1966.5 Ų66.510%0.09735%0.346CS..Hα-helixtrans-63.8-43.9176.2-62.9171.1000110.7I239 I243 P250 T251 S252 E253 N257 V258 I259I239-I255 HydrophobicContact CG2-CG2 4.19Å; I243-I255 HydrophobicContact CD1-CD1 3.73Å; I243-I255 HydrophobicContact CD1-CG1 3.77Å; P250-I255 HydrophobicContact CB-CG1 4.17Å; P250-I255 HydrophobicContact CG-CD1 4.21Å; P250-I255 HydrophobicContact CG-CG1 3.84Å; T251-I255 WeakPolarHBondContact O-CG1 3.31Å; T251-I255 PolarHBondContact O-N 3.36Å; S252-I255 WeakPolarHBondContact O-CB 3.43Å; S252-I255 PolarHBondContact O-N 2.9Å; E253-I255 VanDerWaalsContact C-N 3.29Å; E253-I255 PolarHBondContact O-N 3.09Å; I255-N257 VanDerWaalsContact C-N 3.35Å; I255-N257 PolarHBondContact O-N 2.93Å; I255-V258 WeakPolarHBondContact O-CB 3.4Å; I255-V258 PolarHBondContact O-N 3.43Å; I255-I259 HydrophobicContact CG2-CD1 3.96Å; I255-I259 WeakPolarHBondContact O-CG1 3.48Å; I255-I259 PolarHBondContact O-N 2.91Å
256D96.6Very high94.8Very high73 Ų7366.9 Ų66.939%0.3935%0.351SS..Hα-helixtrans-64.1-40.9178.4-66.4-16.6000111.6R236 S252 E253 I259 H260R236-D256 IonicContact CZ-OD1 3.71Å; R236-D256 IonicContact NH1-OD1 2.65Å; R236-D256 PolarHBondContact NH1-OD1 3.01Å; R236-D256 IonicContact NH2-OD1 2.77Å; R236-D256 PolarHBondContact NH2-OD1 3.06Å; S252-D256 VanDerWaalsContact O-CG 3.26Å; S252-D256 PolarHBondContact O-N 3.13Å; E253-D256 PolarHBondContact O-N 2.76Å; D256-I259 PolarHBondContact O-N 3.44Å; D256-H260 PolarHBondContact O-N 3.3Å
257N95.2Very high94.5Very high87 Ų8766.8 Ų66.847%0.46535%0.351SS..Hα-helixtrans-63.8-40.6174.5-73.3-23.8000112.3E253 M254 I255 H260 T261E253-N257 WeakPolarHBondContact O-CB 3.32Å; E253-N257 VanDerWaalsContact O-CG 3.27Å; E253-N257 PolarHBondContact O-N 3.28Å; E253-N257 PolarHBondContact O-ND2 3.44Å; M254-N257 PolarHBondContact O-N 2.87Å; I255-N257 VanDerWaalsContact C-N 3.35Å; I255-N257 PolarHBondContact O-N 2.93Å; N257-H260 PolarHBondContact O-N 3.14Å; N257-T261 WeakPolarHBondContact O-CB 3.22Å; N257-T261 PolarHBondContact O-N 3.22Å; N257-T261 PolarHBondContact O-OG1 3.42Å
258V96.2Very high93.9Very high4 Ų464 Ų642%0.02433%0.333CS..Hα-helixtrans-60-51.7172.8173.20000109.4I76 Q79 L80 I239 M254 I255 H260 T261 V262I76-V258 HydrophobicContact CG2-CG1 4.44Å; Q79-V258 HydrophobicContact CB-CG1 4.28Å; Q79-V258 HydrophobicContact CB-CG2 3.85Å; L80-V258 HydrophobicContact CD2-CG2 4Å; L80-V258 HydrophobicContact CG-CG2 4.46Å; I239-V258 HydrophobicContact CD1-CG1 4.08Å; M254-V258 WeakPolarHBondContact O-CG2 3.25Å; M254-V258 PolarHBondContact O-N 3.39Å; I255-V258 WeakPolarHBondContact O-CB 3.4Å; I255-V258 PolarHBondContact O-N 3.43Å; V258-H260 VanDerWaalsContact C-N 3.29Å; V258-H260 PolarHBondContact O-N 2.68Å; V258-T261 PolarHBondContact O-N 3.22Å; V258-T261 VanDerWaalsContact O-N 3.13Å; V258-V262 HydrophobicContact CG1-CG1 4.37Å; V258-V262 WeakPolarHBondContact O-CG1 3.5Å; V258-V262 WeakPolarHBondContact O-CG2 3.49Å; V258-V262 PolarHBondContact O-N 2.94Å
259I96.8Very high93.3Very high28 Ų2867.4 Ų67.414%0.14436%0.358CS..Hα-helixtrans-55.7-44.4179.8-72.8166.4000111.2L235 R236 I239 I255 D256 Q263L235-I259 HydrophobicContact CD2-CG2 4.35Å; R236-I259 HydrophobicContact CB-CD1 4Å; R236-I259 HydrophobicContact CG-CD1 4.08Å; I239-I259 HydrophobicContact CD1-CD1 4.45Å; I239-I259 HydrophobicContact CD1-CG1 3.54Å; I255-I259 HydrophobicContact CG2-CD1 3.96Å; I255-I259 WeakPolarHBondContact O-CG1 3.48Å; I255-I259 PolarHBondContact O-N 2.91Å; D256-I259 PolarHBondContact O-N 3.44Å; I259-Q263 VanDerWaalsContact O-CG 3.31Å; I259-Q263 WeakPolarHBondContact O-CG 3.38Å; I259-Q263 PolarHBondContact O-N 2.79Å; I259-Q263 PolarHBondContact O-NE2 2.75Å
260H94.8Very high92.7Very high125 Ų12561.3 Ų61.358%0.57933%0.334SS*.Hα-helixtrans-64.5-44.6177.5-178.675.8000112.5D256 N257 V258 V262 Q263 T266D256-H260 PolarHBondContact O-N 3.3Å; N257-H260 PolarHBondContact O-N 3.14Å; V258-H260 VanDerWaalsContact C-N 3.29Å; V258-H260 PolarHBondContact O-N 2.68Å; H260-V262 VanDerWaalsContact C-N 3.3Å; H260-V262 PolarHBondContact O-N 3.21Å; H260-Q263 WeakPolarHBondContact O-CG 3.49Å; H260-Q263 PolarHBondContact O-N 2.88Å; H260-T266 PolarHBondContact O-OG1 3.06Å; H260-T266 VanDerWaalsContact O-OG1 3.13Å
261T93.2Very high91.7Very high41 Ų4169 Ų6925%0.25236%0.361SS..Hα-helixtrans-63.6-37.1-179-60.90000111.9E75 Q79 N257 V258 Q263 T266 M267E75-T261 HydrophobicContact CG-CG2 4.49Å; Q79-T261 HydrophobicContact CG-CG2 4.33Å; N257-T261 WeakPolarHBondContact O-CB 3.22Å; N257-T261 PolarHBondContact O-N 3.22Å; N257-T261 PolarHBondContact O-OG1 3.42Å; V258-T261 PolarHBondContact O-N 3.22Å; V258-T261 VanDerWaalsContact O-N 3.13Å; T261-Q263 VanDerWaalsContact C-N 3.34Å; T261-T266 WeakPolarHBondContact O-CG2 3.26Å; T261-M267 WeakPolarHBondContact O-CG 3.26Å
262V94.4Very high90.8Very high0 Ų069.6 Ų69.60%036%0.357CS..THydrogen-bonded Turntrans-92.49.3-175.6-55.70000113.6W72 E75 I76 L235 V258 H260 M267W72-V262 PolarHBondContact NE1-O 3.18Å; E75-V262 HydrophobicContact CB-CG1 4.13Å; E75-V262 HydrophobicContact CG-CG1 3.86Å; I76-V262 HydrophobicContact CD1-CG2 4.36Å; I76-V262 HydrophobicContact CG1-CB 3.95Å; I76-V262 HydrophobicContact CG1-CG1 3.67Å; I76-V262 HydrophobicContact CG1-CG2 3.84Å; L235-V262 HydrophobicContact CD2-CG2 3.94Å; V258-V262 HydrophobicContact CG1-CG1 4.37Å; V258-V262 WeakPolarHBondContact O-CG1 3.5Å; V258-V262 WeakPolarHBondContact O-CG2 3.49Å; V258-V262 PolarHBondContact O-N 2.94Å; H260-V262 VanDerWaalsContact C-N 3.3Å; H260-V262 PolarHBondContact O-N 3.21Å; V262-M267 HydrophobicContact CB-SD 4.23Å
263Q93.5Very high89.8Confident83 Ų8365.4 Ų65.439%0.38833%0.327SS..SBendtrans-64.3145.1169.5-67.5-54-47.700110.8I259 H260 T261 N265 T266 M267I259-Q263 VanDerWaalsContact O-CG 3.31Å; I259-Q263 WeakPolarHBondContact O-CG 3.38Å; I259-Q263 PolarHBondContact O-N 2.79Å; I259-Q263 PolarHBondContact O-NE2 2.75Å; H260-Q263 WeakPolarHBondContact O-CG 3.49Å; H260-Q263 PolarHBondContact O-N 2.88Å; T261-Q263 VanDerWaalsContact C-N 3.34Å; Q263-N265 PolarHBondContact O-N 2.82Å; Q263-T266 WeakPolarHBondContact O-CB 3.38Å; Q263-T266 PolarHBondContact O-N 2.91Å; Q263-T266 VanDerWaalsContact O-N 3.1Å; Q263-M267 PolarHBondContact O-N 2.81Å
264F90.5Very high88.7Confident61 Ų6159.5 Ų59.527%0.26830%0.3SS..Hα-helixtrans-51.9-50.8-176.7174.4-101.2000112.9T266 M267 K268 I289 K291 G292F264-T266 VanDerWaalsContact C-N 3.35Å; F264-T266 PolarHBondContact O-N 2.81Å; F264-M267 PolarHBondContact O-N 3.41Å; F264-K268 HydrophobicContact CE1-CD 3.83Å; F264-K268 HydrophobicContact CE2-CD 4.49Å; F264-K268 HydrophobicContact CZ-CD 3.66Å; F264-K268 VanDerWaalsContact O-CB 3.23Å; F264-K268 WeakPolarHBondContact O-CB 3.39Å; F264-K268 PolarHBondContact O-N 3.29Å; F264-I289 HydrophobicContact CD2-CG2 3.8Å; F264-I289 HydrophobicContact CE2-CG2 3.39Å; F264-I289 HydrophobicContact CZ-CG2 4.23Å; F264-K291 VanDerWaalsContact CE2-O 3.3Å; F264-K291 WeakPolarHBondContact CE2-O 3.49Å; F264-K291 VanDerWaalsContact CZ-O 3.23Å; F264-K291 WeakPolarHBondContact CZ-O 3.49Å; F264-G292 VanDerWaalsContact CE2-N 3.32Å
265N89.6Confident87.8Confident122 Ų12258.1 Ų58.165%0.65229%0.291SS*.Hα-helixtrans-64.7-38.3-179-69.1-27.9000112.4Q263 S269Q263-N265 PolarHBondContact O-N 2.82Å; N265-S269 WeakPolarHBondContact O-CB 3.24Å; N265-S269 PolarHBondContact O-N 2.67Å; N265-S269 PolarHBondContact O-OG 3.34Å
266T89.5Confident86.2Confident43 Ų4361.5 Ų61.526%0.26431%0.309SS..Hα-helixtrans-65.3-46.6176.9-49.80000110.9H260 T261 Q263 F264 S269 S270H260-T266 PolarHBondContact O-OG1 3.06Å; H260-T266 VanDerWaalsContact O-OG1 3.13Å; T261-T266 WeakPolarHBondContact O-CG2 3.26Å; Q263-T266 WeakPolarHBondContact O-CB 3.38Å; Q263-T266 PolarHBondContact O-N 2.91Å; Q263-T266 VanDerWaalsContact O-N 3.1Å; F264-T266 VanDerWaalsContact C-N 3.35Å; F264-T266 PolarHBondContact O-N 2.81Å; T266-S269 PolarHBondContact O-OG 3.47Å; T266-S269 VanDerWaalsContact O-OG 3.13Å; T266-S270 VanDerWaalsContact O-CB 3.28Å; T266-S270 WeakPolarHBondContact O-CB 3.07Å; T266-S270 PolarHBondContact O-N 3.07Å; T266-S270 VanDerWaalsContact O-N 3.09Å
267M90.9Very high84.7Confident9 Ų960.9 Ų60.94%0.04432%0.321CS..Hα-helixtrans-67.2-40177.5-67.1-168.869.500112.3T71 W72 E75 T261 V262 Q263 F264 S269 S270 S273 I289T71-M267 HydrophobicContact CG2-CE 4Å; W72-M267 HydrophobicContact CG-SD 4.42Å; E75-M267 HydrophobicContact CB-CE 3.63Å; E75-M267 HydrophobicContact CB-SD 4.35Å; E75-M267 HydrophobicContact CG-CE 4.07Å; T261-M267 WeakPolarHBondContact O-CG 3.26Å; V262-M267 HydrophobicContact CB-SD 4.23Å; Q263-M267 PolarHBondContact O-N 2.81Å; F264-M267 PolarHBondContact O-N 3.41Å; M267-S269 PolarHBondContact O-N 3.37Å; M267-S270 PolarHBondContact O-N 3.29Å; M267-S273 PolarHBondContact O-OG 3.42Å; M267-I289 HydrophobicContact CB-CD1 3.84Å; M267-I289 HydrophobicContact CE-CD1 4.45Å
268K86.4Confident83.7Confident54 Ų5457.8 Ų57.824%0.23531%0.305CS..Hα-helixtrans-64.7-39.5-179.5-173.2169.6-175.2171.40112.3F264 N274 E287 I289 R290F264-K268 HydrophobicContact CE1-CD 3.83Å; F264-K268 HydrophobicContact CE2-CD 4.49Å; F264-K268 HydrophobicContact CZ-CD 3.66Å; F264-K268 VanDerWaalsContact O-CB 3.23Å; F264-K268 WeakPolarHBondContact O-CB 3.39Å; F264-K268 PolarHBondContact O-N 3.29Å; K268-N274 PolarHBondContact O-ND2 3.3Å; K268-E287 VanDerWaalsContact CE-OE1 3.3Å; K268-E287 WeakPolarHBondContact CE-OE1 3.38Å; K268-E287 WeakPolarHBondContact CE-OE2 3.07Å; K268-E287 IonicContact NZ-OE1 3.22Å; K268-E287 IonicContact NZ-OE2 2.99Å; K268-E287 PolarHBondContact NZ-OE2 3.1Å; K268-I289 HydrophobicContact CB-CB 4.5Å; K268-I289 HydrophobicContact CB-CG2 4.12Å; K268-I289 WeakPolarHBondContact CE-O 3.32Å; K268-I289 HydrophobicContact CG-CG2 4.47Å; K268-R290 PolarHBondContact NZ-O 3.29Å
269S84.3Confident82.7Confident101 Ų10165 Ų6571%0.70633%0.332SS*.Hα-helixtrans-78.5-17.9176.7560000113.6N265 T266 M267 R271N265-S269 WeakPolarHBondContact O-CB 3.24Å; N265-S269 PolarHBondContact O-N 2.67Å; N265-S269 PolarHBondContact O-OG 3.34Å; T266-S269 PolarHBondContact O-OG 3.47Å; T266-S269 VanDerWaalsContact O-OG 3.13Å; M267-S269 PolarHBondContact O-N 3.37Å; S269-R271 PolarHBondContact O-N 3.06Å
270S82.7Confident82Confident39 Ų3964.3 Ų64.327%0.27333%0.328SS..  trans-81.7118.1-1801790000112.6T266 M267 K272 S273 N274T266-S270 VanDerWaalsContact O-CB 3.28Å; T266-S270 WeakPolarHBondContact O-CB 3.07Å; T266-S270 PolarHBondContact O-N 3.07Å; T266-S270 VanDerWaalsContact O-N 3.09Å; M267-S270 PolarHBondContact O-N 3.29Å; S270-K272 PolarHBondContact O-N 3.22Å; S270-K272 VanDerWaalsContact O-N 3.15Å; S270-K272 PolarHBondContact OG-N 2.84Å; S270-S273 PolarHBondContact O-N 3.47Å; S270-S273 PolarHBondContact O-OG 3.14Å; S270-N274 VanDerWaalsContact O-CB 3.32Å; S270-N274 WeakPolarHBondContact O-CB 3.29Å; S270-N274 PolarHBondContact O-N 3.26Å
271R75.5Confident81.6Confident183 Ų18359.1 Ų59.169%0.69130%0.304SS*.THydrogen-bonded Turntrans-59-25.5171.9-172.1167.9-172.9-1712.3112.9S269 S273 D276S269-R271 PolarHBondContact O-N 3.06Å; R271-S273 PolarHBondContact O-N 3.25Å; R271-D276 HydrophobicContact CG-CB 4.25Å; R271-D276 PolarHBondContact NE-O 3.34Å
272K77.1Confident81.3Confident90 Ų9058.4 Ų58.439%0.39130%0.299SS..THydrogen-bonded Turntrans-68.9-32.2-177.8-62.6-175.8-173.6-176.20112.9A88 L91 S270A88-K272 VanDerWaalsContact O-CE 3.25Å; A88-K272 WeakPolarHBondContact O-CE 3.49Å; A88-K272 PolarHBondContact O-NZ 3.16Å; L91-K272 WeakPolarHBondContact CB-O 3.25Å; L91-K272 PolarHBondContact N-O 3.17Å; S270-K272 PolarHBondContact O-N 3.22Å; S270-K272 VanDerWaalsContact O-N 3.15Å; S270-K272 PolarHBondContact OG-N 2.84Å
273S73Confident80.8Confident3 Ų360.2 Ų60.22%0.02131%0.307CS..THydrogen-bonded Turntrans-110.9-32.9-176.653.70000112.9M267 S270 R271 R275M267-S273 PolarHBondContact O-OG 3.42Å; S270-S273 PolarHBondContact O-N 3.47Å; S270-S273 PolarHBondContact O-OG 3.14Å; R271-S273 PolarHBondContact O-N 3.25Å; S273-R275 PolarHBondContact O-N 3.3Å
274N72.2Confident80.5Confident14 Ų1463.9 Ų63.98%0.07533%0.33CS..SBendtrans-77.12.9-179-161.826.9000114.2K268 S270 D276 Q283 I289K268-N274 PolarHBondContact O-ND2 3.3Å; S270-N274 VanDerWaalsContact O-CB 3.32Å; S270-N274 WeakPolarHBondContact O-CB 3.29Å; S270-N274 PolarHBondContact O-N 3.26Å; N274-D276 PolarHBondContact O-N 3.39Å; N274-D276 VanDerWaalsContact O-N 3.08Å; N274-Q283 PolarHBondContact O-NE2 2.88Å; N274-I289 HydrophobicContact CB-CD1 4.27Å; N274-I289 PolarHBondContact OD1-N 2.95Å; N274-I289 VanDerWaalsContact OD1-N 3.09Å
275R75.4Confident80.3Confident42 Ų4263.2 Ų63.216%0.15833%0.33CS..  trans52.334.5175.9-54-169.7-179.4-170.9-3.7113.3S273 V278 F281 Q283 F288S273-R275 PolarHBondContact O-N 3.3Å; R275-V278 HydrophobicContact CB-CB 4.42Å; R275-V278 HydrophobicContact CB-CG2 3.99Å; R275-V278 WeakPolarHBondContact O-CB 3.44Å; R275-V278 WeakPolarHBondContact O-CG2 3.37Å; R275-V278 PolarHBondContact O-N 3.07Å; R275-F281 HydrophobicContact CB-CD2 4.05Å; R275-F281 HydrophobicContact CB-CE2 4.2Å; R275-Q283 PolarHBondContact O-NE2 2.95Å; R275-F288 HydrophobicContact CB-CD1 4.41Å; R275-F288 HydrophobicContact CB-CG 4.48Å; R275-F288 HydrophobicContact CG-CD1 4.1Å; R275-F288 HydrophobicContact CG-CE1 3.94Å; R275-F288 HydrophobicContact CG-CZ 4.27Å
276D63Low80.1Confident89 Ų8958.1 Ų58.148%0.47630%0.304SS..THydrogen-bonded Turntrans-70.8132.3-177.9-17731.2000111.7R271 N274 V278R271-D276 HydrophobicContact CG-CB 4.25Å; R271-D276 PolarHBondContact NE-O 3.34Å; N274-D276 PolarHBondContact O-N 3.39Å; N274-D276 VanDerWaalsContact O-N 3.08Å; D276-V278 VanDerWaalsContact C-N 3.34Å
277G65.5Low80Confident61 Ų6160.1 Ų60.163%0.62931%0.311SS*.THydrogen-bonded Turntrans78.83.5-171.600000115.9W279G277-W279 PolarHBondContact O-N 2.96Å
278V72.6Confident79.7Confident22 Ų2260.3 Ų60.313%0.13331%0.311CS..  trans-74.8117.5174.9175.90000109.6R275 D276 L280 F281R275-V278 HydrophobicContact CB-CB 4.42Å; R275-V278 HydrophobicContact CB-CG2 3.99Å; R275-V278 WeakPolarHBondContact O-CB 3.44Å; R275-V278 WeakPolarHBondContact O-CG2 3.37Å; R275-V278 PolarHBondContact O-N 3.07Å; D276-V278 VanDerWaalsContact C-N 3.34Å; V278-L280 HydrophobicContact CG1-CB 4.14Å; V278-L280 HydrophobicContact CG1-CG 4.48Å; V278-L280 PolarHBondContact O-N 2.63Å; V278-F281 HydrophobicContact CB-CD2 3.9Å; V278-F281 HydrophobicContact CB-CE2 4.38Å; V278-F281 HydrophobicContact CG1-CD2 3.8Å; V278-F281 HydrophobicContact CG1-CE2 3.91Å; V278-F281 PolarHBondContact O-N 3.34Å
279W76.2Confident79.7Confident155 Ų15558.9 Ų58.959%0.58731%0.306SS*.THydrogen-bonded Turntrans-55-26.5-173.9175.385.7000114.6W106 R180 G277 F281W106-W279 HydrophobicContact CD2-CZ3 4.46Å; W106-W279 HydrophobicContact CE3-CE3 4.3Å; W106-W279 HydrophobicContact CE3-CZ3 4.39Å; R180-W279 VanDerWaalsContact CD-O 3.28Å; R180-W279 WeakPolarHBondContact CD-O 3.48Å; R180-W279 VanDerWaalsContact NH1-CD1 3.26Å; R180-W279 PolarHBondContact NH1-O 2.84Å; G277-W279 PolarHBondContact O-N 2.96Å; W279-F281 PolarHBondContact O-N 3.37Å
280L82.6Confident80Confident14 Ų1455.8 Ų55.87%0.07328%0.279CS..THydrogen-bonded Turntrans-64.5-18.4176.1-67.3172000114.1T41 W106 A179 R180 F181 V278T41-L280 HydrophobicContact CG2-CD2 4.17Å; W106-L280 HydrophobicContact CH2-CD1 3.56Å; W106-L280 HydrophobicContact CH2-CD2 3.51Å; W106-L280 HydrophobicContact CH2-CG 3.81Å; W106-L280 HydrophobicContact CZ2-CD2 4.03Å; W106-L280 HydrophobicContact CZ3-CD1 3.87Å; W106-L280 HydrophobicContact CZ3-CD2 3.76Å; W106-L280 HydrophobicContact CZ3-CG 3.8Å; A179-L280 CarbonylContact C-O 3.58Å; R180-L280 PolarHBondContact N-O 3.31Å; F181-L280 HydrophobicContact CB-CD2 4.25Å; F181-L280 HydrophobicContact CD1-CB 4.24Å; F181-L280 HydrophobicContact CD1-CD2 4.16Å; V278-L280 HydrophobicContact CG1-CB 4.14Å; V278-L280 HydrophobicContact CG1-CG 4.48Å; V278-L280 PolarHBondContact O-N 2.63Å
281F85.6Confident80.3Confident15 Ų1557.6 Ų57.67%0.06628%0.281CS..BIsolated β-bridgetrans-120122.3-172-57.1-53.9000110.8F175 M178 A179 F181 R275 V278 W279 Q283 F288F175-F281 HydrophobicContact CE2-CD1 4.13Å; F175-F281 AromaticContact CE2-CE1 3.54Å; F175-F281 HydrophobicContact CE2-CE1 3.54Å; F175-F281 HydrophobicContact CE2-CZ 4.39Å; F175-F281 AromaticContact CZ-CE1 3.88Å; F175-F281 HydrophobicContact CZ-CE1 3.88Å; M178-F281 HydrophobicContact CE-CB 3.71Å; M178-F281 HydrophobicContact CE-CD1 4.23Å; M178-F281 HydrophobicContact CE-CG 4.18Å; M178-F281 HydrophobicContact SD-CB 3.98Å; M178-F281 HydrophobicContact SD-CD1 3.5Å; M178-F281 WeakPolarHBondContact SD-CD1 3.2Å; M178-F281 HydrophobicContact SD-CE1 4.39Å; M178-F281 HydrophobicContact SD-CG 4.05Å; A179-F281 HydrophobicContact CB-CD1 4.22Å; A179-F281 HydrophobicContact CB-CE1 4.27Å; F181-F281 AromaticContact CE1-CE1 3.86Å; F181-F281 HydrophobicContact CE1-CE1 3.86Å; F181-F281 HydrophobicContact CE1-CZ 4.41Å; R275-F281 HydrophobicContact CB-CD2 4.05Å; R275-F281 HydrophobicContact CB-CE2 4.2Å; V278-F281 HydrophobicContact CB-CD2 3.9Å; V278-F281 HydrophobicContact CB-CE2 4.38Å; V278-F281 HydrophobicContact CG1-CD2 3.8Å; V278-F281 HydrophobicContact CG1-CE2 3.91Å; V278-F281 PolarHBondContact O-N 3.34Å; W279-F281 PolarHBondContact O-N 3.37Å; F281-Q283 HydrophobicContact CB-CG 4.45Å; F281-Q283 PolarHBondContact O-N 3.33Å; F281-F288 HydrophobicContact CD1-CD2 4.44Å; F281-F288 HydrophobicContact CD2-CD2 4.45Å; F281-F288 HydrophobicContact CE1-CD2 4.45Å; F281-F288 HydrophobicContact CE1-CE2 4.28Å; F281-F288 HydrophobicContact CE2-CE2 4.34Å; F281-F288 HydrophobicContact CG-CD2 4.45Å; F281-F288 HydrophobicContact CZ-CE2 4.1Å
282N86.9Confident81Confident27 Ų2749.8 Ų49.814%0.14426%0.258CS..  trans-90.684.2172.4-170.1-0.6000109.6M178 R180 N284 V285M178-N282 PolarHBondContact O-N 3.05Å; R180-N282 HydrophobicContact CG-CB 4.34Å; N282-N284 PolarHBondContact O-N 3.42Å; N282-N284 VanDerWaalsContact O-N 3.14Å; N282-V285 HydrophobicContact CB-CG2 4.22Å; N282-V285 WeakPolarHBondContact ND2-CG2 3.42Å; N282-V285 WeakPolarHBondContact O-CB 3.14Å; N282-V285 PolarHBondContact O-N 3.12Å
283Q84.3Confident81.8Confident37 Ų3749.1 Ų49.117%0.17326%0.256CS..THydrogen-bonded Turntrans-67.4-12-175.9-58.2-146.137.700114.2M178 N274 R275 F281 V285 S286M178-Q283 HydrophobicContact CE-CG 4.17Å; N274-Q283 PolarHBondContact O-NE2 2.88Å; R275-Q283 PolarHBondContact O-NE2 2.95Å; F281-Q283 HydrophobicContact CB-CG 4.45Å; F281-Q283 PolarHBondContact O-N 3.33Å; Q283-V285 VanDerWaalsContact C-N 3.27Å; Q283-V285 PolarHBondContact O-N 2.77Å; Q283-S286 WeakPolarHBondContact CA-O 3.3Å; Q283-S286 CarbonylContact O-C 3.38Å
284N86.3Confident82.9Confident161 Ų16150 Ų5086%0.86126%0.261SS*.THydrogen-bonded Turntrans-70.6-23.1170.6-63.4-20.9000112.6N282N282-N284 PolarHBondContact O-N 3.42Å; N282-N284 VanDerWaalsContact O-N 3.14Å
285V86.2Confident84.1Confident47 Ų4750 Ų5029%0.28526%0.264SS..THydrogen-bonded Turntrans-84.9-43.5176.6174.40000110.6R177 M178 N282 Q283R177-V285 HydrophobicContact CB-CG1 3.74Å; M178-V285 HydrophobicContact CB-CB 4.37Å; N282-V285 HydrophobicContact CB-CG2 4.22Å; N282-V285 WeakPolarHBondContact ND2-CG2 3.42Å; N282-V285 WeakPolarHBondContact O-CB 3.14Å; N282-V285 PolarHBondContact O-N 3.12Å; Q283-V285 VanDerWaalsContact C-N 3.27Å; Q283-V285 PolarHBondContact O-N 2.77Å
286S85.8Confident85.1Confident14 Ų1448 Ų4810%0.09826%0.257CS..SBendtrans-161.6138.8174-1610000109.4M178 Q283M178-S286 WeakPolarHBondContact CE-O 3.26Å; Q283-S286 WeakPolarHBondContact CA-O 3.3Å; Q283-S286 CarbonylContact O-C 3.38Å
287E86.8Confident86.8Confident86 Ų8644.9 Ų44.940%0.40224%0.239SC..  trans-64.4146.6174.1-62.9175127.200111.1K268K268-E287 VanDerWaalsContact CE-OE1 3.3Å; K268-E287 WeakPolarHBondContact CE-OE1 3.38Å; K268-E287 WeakPolarHBondContact CE-OE2 3.07Å; K268-E287 IonicContact NZ-OE1 3.22Å; K268-E287 IonicContact NZ-OE2 2.99Å; K268-E287 PolarHBondContact NZ-OE2 3.1Å
288F84.8Confident88.3Confident12 Ų1247 Ų475%0.05323%0.231CC..SBendtrans-66.2-47.1-179-176.7-101.7000112.1K67 T71 F175 M178 R275 F281K67-F288 PolarHBondContact NZ-O 3.1Å; T71-F288 HydrophobicContact CG2-CE1 4.06Å; T71-F288 WeakPolarHBondContact OG1-CE1 3.39Å; F175-F288 HydrophobicContact CE2-CD2 4.39Å; F175-F288 AromaticContact CE2-CE2 3.98Å; F175-F288 HydrophobicContact CE2-CE2 3.98Å; M178-F288 HydrophobicContact CE-CB 3.93Å; M178-F288 HydrophobicContact CE-CD2 4.21Å; M178-F288 HydrophobicContact SD-CD2 4.45Å; R275-F288 HydrophobicContact CB-CD1 4.41Å; R275-F288 HydrophobicContact CB-CG 4.48Å; R275-F288 HydrophobicContact CG-CD1 4.1Å; R275-F288 HydrophobicContact CG-CE1 3.94Å; R275-F288 HydrophobicContact CG-CZ 4.27Å; F281-F288 HydrophobicContact CD1-CD2 4.44Å; F281-F288 HydrophobicContact CD2-CD2 4.45Å; F281-F288 HydrophobicContact CE1-CD2 4.45Å; F281-F288 HydrophobicContact CE1-CE2 4.28Å; F281-F288 HydrophobicContact CE2-CE2 4.34Å; F281-F288 HydrophobicContact CG-CD2 4.45Å; F281-F288 HydrophobicContact CZ-CE2 4.1Å
289I87.7Confident89.4Confident24 Ų2451.4 Ų51.412%0.12325%0.254CS..SBendtrans-96.695.7167.6-60.1177.5000108.4F264 M267 K268 N274F264-I289 HydrophobicContact CD2-CG2 3.8Å; F264-I289 HydrophobicContact CE2-CG2 3.39Å; F264-I289 HydrophobicContact CZ-CG2 4.23Å; M267-I289 HydrophobicContact CB-CD1 3.84Å; M267-I289 HydrophobicContact CE-CD1 4.45Å; K268-I289 HydrophobicContact CB-CB 4.5Å; K268-I289 HydrophobicContact CB-CG2 4.12Å; K268-I289 WeakPolarHBondContact CE-O 3.32Å; K268-I289 HydrophobicContact CG-CG2 4.47Å; N274-I289 HydrophobicContact CB-CD1 4.27Å; N274-I289 PolarHBondContact OD1-N 2.95Å; N274-I289 VanDerWaalsContact OD1-N 3.09Å
290R90.7Very high90.4Very high37 Ų3747.1 Ų47.114%0.1424%0.238CC..  trans-82-69.5-167.5-168.4-178.257.382.63.6114.1K268 D296K268-R290 PolarHBondContact NZ-O 3.29Å; R290-D296 IonicContact CZ-OD2 3.62Å; R290-D296 IonicContact NH1-OD2 3.13Å; R290-D296 PolarHBondContact NH1-OD2 3.48Å; R290-D296 IonicContact NH2-OD2 3.96Å; R290-D296 PolarHBondContact NH2-OD2 3.36Å
291K89.2Confident91.2Very high76 Ų7647.2 Ų47.233%0.3324%0.238SC..  trans-127.6-34.6-173.3-74-160.7-179.9-174.40115.9F264 E293 D296F264-K291 VanDerWaalsContact CE2-O 3.3Å; F264-K291 WeakPolarHBondContact CE2-O 3.49Å; F264-K291 VanDerWaalsContact CZ-O 3.23Å; F264-K291 WeakPolarHBondContact CZ-O 3.49Å; K291-E293 HydrophobicContact CB-CG 4.03Å; K291-E293 VanDerWaalsContact CD-CD 3.5Å; K291-E293 HydrophobicContact CD-CG 4.24Å; K291-E293 WeakPolarHBondContact CD-OE1 3.5Å; K291-E293 IonicContact NZ-OE1 3.06Å; K291-E293 PolarHBondContact NZ-OE1 3.4Å; K291-E293 PolarHBondContact O-N 3.13Å; K291-D296 IonicContact NZ-OD1 2.67Å; K291-D296 PolarHBondContact NZ-OD1 2.77Å; K291-D296 IonicContact NZ-OD2 2.75Å
292G89.5Confident91.8Very high19 Ų1950 Ų5020%0.19626%0.256CS..  trans68.710.8177.900000115.5Y228 Q232 F264Y228-G292 WeakPolarHBondContact OH-CA 3.37Å; Y228-G292 PolarHBondContact OH-O 3.48Å; Q232-G292 PolarHBondContact NE2-O 3.41Å; Q232-G292 PolarHBondContact OE1-O 2.95Å; F264-G292 VanDerWaalsContact CE2-N 3.32Å
293E93.3Very high92.3Very high76 Ų7654 Ų5436%0.35528%0.281SS..  trans-103.8157.9-176.870.6-165.2-169.700112.6R163 K291 D296R163-E293 PolarHBondContact NH2-O 3.35Å; K291-E293 HydrophobicContact CB-CG 4.03Å; K291-E293 VanDerWaalsContact CD-CD 3.5Å; K291-E293 HydrophobicContact CD-CG 4.24Å; K291-E293 WeakPolarHBondContact CD-OE1 3.5Å; K291-E293 IonicContact NZ-OE1 3.06Å; K291-E293 PolarHBondContact NZ-OE1 3.4Å; K291-E293 PolarHBondContact O-N 3.13Å; E293-D296 HydrophobicContact CG-CB 4Å; E293-D296 WeakPolarHBondContact OE1-CB 3.49Å
294V96.8Very high92.9Very high21 Ų2155.1 Ų55.113%0.12730%0.296CS..SBendtrans-95.8137169.3175.10000109.1D167 Y228 E229 Q232 M328D167-V294 VanDerWaalsContact OD2-CA 3.31Å; D167-V294 WeakPolarHBondContact OD2-CA 3.49Å; Y228-V294 HydrophobicContact CD1-CG2 4.03Å; Y228-V294 HydrophobicContact CE1-CG2 3.99Å; E229-V294 HydrophobicContact CG-CG1 4.41Å; E229-V294 HydrophobicContact CG-CG2 4.2Å; Q232-V294 HydrophobicContact CB-CG2 4.36Å; Q232-V294 HydrophobicContact CG-CG2 3.99Å; V294-M328 HydrophobicContact CB-CG 3.81Å; V294-M328 HydrophobicContact CB-SD 4Å; V294-M328 HydrophobicContact CG1-CG 4.18Å; V294-M328 HydrophobicContact CG1-SD 4.22Å; V294-M328 HydrophobicContact CG2-CG 4.4Å; V294-M328 HydrophobicContact CG2-SD 4Å
295G97Very high93.4Very high14 Ų1448.4 Ų48.414%0.14426%0.26CS..  trans98.93.4177.100000115.5D167 W297 K298D167-G295 PolarHBondContact OD1-N 2.87Å; D167-G295 PolarHBondContact OD2-N 2.8Å; G295-W297 PolarHBondContact O-N 3.39Å; G295-W297 VanDerWaalsContact O-N 3.16Å; G295-K298 PolarHBondContact O-N 3.17Å
296D96.5Very high94Very high2 Ų247 Ų471%0.01125%0.252CS..G310 helixtrans-64.1-19.7177.8-172.539.4000112.7D167 R290 K291 E293 K298 N299D167-D296 PolarHBondContact OD1-N 2.92Å; R290-D296 IonicContact CZ-OD2 3.62Å; R290-D296 IonicContact NH1-OD2 3.13Å; R290-D296 PolarHBondContact NH1-OD2 3.48Å; R290-D296 IonicContact NH2-OD2 3.96Å; R290-D296 PolarHBondContact NH2-OD2 3.36Å; K291-D296 IonicContact NZ-OD1 2.67Å; K291-D296 PolarHBondContact NZ-OD1 2.77Å; K291-D296 IonicContact NZ-OD2 2.75Å; E293-D296 HydrophobicContact CG-CB 4Å; E293-D296 WeakPolarHBondContact OE1-CB 3.49Å; D296-K298 PolarHBondContact O-N 2.99Å; D296-K298 VanDerWaalsContact O-N 3.09Å; D296-N299 WeakPolarHBondContact O-CB 3.01Å; D296-N299 PolarHBondContact O-N 3.26Å; D296-N299 PolarHBondContact OD1-ND2 2.78Å
297W97.7Very high94.6Very high23 Ų2351.3 Ų51.39%0.08727%0.271CS..G310 helixtrans-52-29.9174.468.9-96.2000114.3K166 D167 V170 G295 N299 Y300 F301 F326K166-W297 HydrophobicContact CB-CB 3.54Å; K166-W297 HydrophobicContact CB-CD2 3.91Å; K166-W297 HydrophobicContact CB-CE3 4.44Å; K166-W297 HydrophobicContact CB-CG 3.49Å; K166-W297 VanDerWaalsContact CB-CG 3.49Å; K166-W297 HydrophobicContact CD-CD2 3.57Å; K166-W297 HydrophobicContact CD-CE3 3.54Å; K166-W297 HydrophobicContact CD-CG 4.11Å; K166-W297 HydrophobicContact CD-CH2 4.21Å; K166-W297 HydrophobicContact CD-CZ2 4.24Å; K166-W297 HydrophobicContact CD-CZ3 3.87Å; K166-W297 HydrophobicContact CG-CD2 4.39Å; K166-W297 HydrophobicContact CG-CG 4.45Å; D167-W297 VanDerWaalsContact OD1-CD1 3.29Å; D167-W297 PolarHBondContact OD1-N 3.17Å; V170-W297 HydrophobicContact CG2-CB 4.21Å; G295-W297 PolarHBondContact O-N 3.39Å; G295-W297 VanDerWaalsContact O-N 3.16Å; W297-N299 PolarHBondContact O-N 2.97Å; W297-N299 VanDerWaalsContact O-N 3.15Å; W297-Y300 PolarHBondContact O-N 3.33Å; W297-F301 HydrophobicContact CB-CD2 3.96Å; W297-F301 HydrophobicContact CB-CE2 4.01Å; W297-F301 HydrophobicContact CE3-CB 4.06Å; W297-F301 HydrophobicContact CE3-CD2 4.25Å; W297-F301 HydrophobicContact CE3-CG 4.11Å; W297-F301 HydrophobicContact CZ3-CB 4.45Å; W297-F301 WeakPolarHBondContact O-CD2 3.22Å; W297-F301 PolarHBondContact O-N 3.32Å; W297-F326 HydrophobicContact CZ2-CB 4.48Å; W297-F326 PolarHBondContact NE1-O 3.34Å
298K96.9Very high95Very high105 Ų10549.5 Ų49.546%0.45727%0.265SS..G310 helixtrans-59.7-24.2177-66.3-178.3178.1-175.40113.8G295 D296 Y300 E327G295-K298 PolarHBondContact O-N 3.17Å; D296-K298 PolarHBondContact O-N 2.99Å; D296-K298 VanDerWaalsContact O-N 3.09Å; K298-Y300 VanDerWaalsContact C-N 3.27Å; K298-Y300 PolarHBondContact O-N 2.92Å; K298-E327 WeakPolarHBondContact CE-OE1 3.36Å; K298-E327 WeakPolarHBondContact CE-OE2 3.34Å; K298-E327 IonicContact NZ-OE1 3.26Å; K298-E327 PolarHBondContact NZ-OE1 2.65Å; K298-E327 IonicContact NZ-OE2 3.96Å; K298-E327 PolarHBondContact NZ-OE2 2.77Å
299N96.9Very high95.6Very high115 Ų11548.9 Ų48.962%0.61526%0.263SS*.G310 helixtrans-82.2-4.2179.5-62.8-52.8000113.4D296 W297D296-N299 WeakPolarHBondContact O-CB 3.01Å; D296-N299 PolarHBondContact O-N 3.26Å; D296-N299 PolarHBondContact OD1-ND2 2.78Å; W297-N299 PolarHBondContact O-N 2.97Å; W297-N299 VanDerWaalsContact O-N 3.15Å
300Y97.5Very high96Very high65 Ų6550.8 Ų50.826%0.25527%0.273SS..THydrogen-bonded Turntrans-127-43.8-173.3-68.1-96.3000112.4V170 Y173 H174 W189 W297 K298 T302V170-Y300 HydrophobicContact CB-CD2 4.2Å; V170-Y300 HydrophobicContact CB-CG 4.43Å; V170-Y300 HydrophobicContact CG1-CD1 4.26Å; V170-Y300 HydrophobicContact CG1-CD2 3.41Å; V170-Y300 VanDerWaalsContact CG1-CD2 3.41Å; V170-Y300 HydrophobicContact CG1-CE1 4.26Å; V170-Y300 HydrophobicContact CG1-CE2 3.42Å; V170-Y300 VanDerWaalsContact CG1-CE2 3.42Å; V170-Y300 HydrophobicContact CG1-CG 3.88Å; V170-Y300 HydrophobicContact CG2-CD2 3.65Å; V170-Y300 HydrophobicContact CG2-CG 3.68Å; Y173-Y300 HydrophobicContact CD1-CD1 4.4Å; Y173-Y300 HydrophobicContact CD1-CE1 4.31Å; Y173-Y300 HydrophobicContact CE1-CD1 4.43Å; Y173-Y300 HydrophobicContact CE1-CE1 4.23Å; H174-Y300 PolarHBondContact CE1-OH 3.25Å; H174-Y300 AromaticContact NE2-CE1 3.31Å; H174-Y300 VanDerWaalsContact NE2-CE1 3.31Å; H174-Y300 WeakPolarHBondContact NE2-CE1 2.98Å; H174-Y300 AromaticContact NE2-CZ 3.18Å; H174-Y300 PolarHBondContact NE2-OH 3.37Å; W189-Y300 HydrophobicContact CE3-CD1 4.36Å; W189-Y300 PolarHBondContact NE1-O 2.93Å; W297-Y300 PolarHBondContact O-N 3.33Å; K298-Y300 VanDerWaalsContact C-N 3.27Å; K298-Y300 PolarHBondContact O-N 2.92Å; Y300-T302 PolarHBondContact O-N 2.97Å
301F98.3Very high96.3Very high16 Ų1654.7 Ų54.77%0.0729%0.291CS..  trans-69.7125.3-179.6-77.2-117.1000109.7K166 A169 V170 W189 F193 W297 Q305 F309K166-F301 HydrophobicContact CB-CE1 4.46Å; K166-F301 HydrophobicContact CB-CE2 4.06Å; K166-F301 HydrophobicContact CB-CZ 3.9Å; K166-F301 HydrophobicContact CD-CD1 4.47Å; K166-F301 HydrophobicContact CD-CE1 4.24Å; K166-F301 HydrophobicContact CD-CZ 4.49Å; K166-F301 HydrophobicContact CG-CE1 3.88Å; K166-F301 HydrophobicContact CG-CE2 4.36Å; K166-F301 HydrophobicContact CG-CZ 3.78Å; A169-F301 HydrophobicContact CB-CE2 4.24Å; A169-F301 HydrophobicContact CB-CZ 4.08Å; V170-F301 HydrophobicContact CG2-CD2 4.43Å; V170-F301 HydrophobicContact CG2-CE2 4.15Å; W189-F301 HydrophobicContact CH2-CD2 4.02Å; W189-F301 AromaticContact CH2-CE2 3.53Å; W189-F301 HydrophobicContact CH2-CE2 3.53Å; W189-F301 HydrophobicContact CH2-CZ 4.16Å; W189-F301 AromaticContact CZ2-CD2 3.54Å; W189-F301 HydrophobicContact CZ2-CD2 3.54Å; W189-F301 AromaticContact CZ2-CE2 3.46Å; W189-F301 HydrophobicContact CZ2-CE2 3.46Å; W189-F301 VanDerWaalsContact CZ2-CE2 3.46Å; W189-F301 HydrophobicContact CZ2-CG 4.18Å; W189-F301 HydrophobicContact CZ2-CZ 4.03Å; F193-F301 HydrophobicContact CD2-CE1 4.14Å; F193-F301 HydrophobicContact CD2-CZ 4.39Å; F193-F301 HydrophobicContact CE2-CD1 4.14Å; F193-F301 AromaticContact CE2-CE1 3.57Å; F193-F301 HydrophobicContact CE2-CE1 3.57Å; F193-F301 HydrophobicContact CE2-CZ 4.2Å; W297-F301 HydrophobicContact CB-CD2 3.96Å; W297-F301 HydrophobicContact CB-CE2 4.01Å; W297-F301 HydrophobicContact CE3-CB 4.06Å; W297-F301 HydrophobicContact CE3-CD2 4.25Å; W297-F301 HydrophobicContact CE3-CG 4.11Å; W297-F301 HydrophobicContact CZ3-CB 4.45Å; W297-F301 WeakPolarHBondContact O-CD2 3.22Å; W297-F301 PolarHBondContact O-N 3.32Å; F301-Q305 HydrophobicContact CD1-CB 4.21Å; F301-F309 HydrophobicContact CE1-CB 4.04Å; F301-F309 HydrophobicContact CE1-CD2 4.2Å; F301-F309 HydrophobicContact CE1-CG 4.04Å
302T98Very high96.5Very high72 Ų7251.5 Ų51.544%0.44228%0.278SS..  trans-66.6159.5160.665.80000109.7Y300 A304 Q305 S306Y300-T302 PolarHBondContact O-N 2.97Å; T302-A304 VanDerWaalsContact C-N 3.25Å; T302-A304 PolarHBondContact O-N 2.98Å; T302-Q305 VanDerWaalsContact N-OE1 3.12Å; T302-Q305 PolarHBondContact O-N 3.28Å; T302-Q305 VanDerWaalsContact O-N 3.14Å; T302-Q305 WeakPolarHBondContact OG1-CB 3.26Å; T302-Q305 VanDerWaalsContact OG1-CG 3.3Å; T302-Q305 WeakPolarHBondContact OG1-CG 3.28Å; T302-Q305 PolarHBondContact OG1-N 3.45Å; T302-Q305 VanDerWaalsContact OG1-N 3.16Å; T302-Q305 PolarHBondContact OG1-OE1 2.71Å; T302-S306 PolarHBondContact O-N 3.28Å
303V97.7Very high96.9Very high112 Ų11252 Ų5268%0.67927%0.274SS*.Hα-helixtrans-53-46.2175.2177.50000110.8Q305 S306 E307V303-Q305 PolarHBondContact O-N 3Å; V303-S306 PolarHBondContact O-N 2.93Å; V303-E307 HydrophobicContact CG1-CG 4.45Å; V303-E307 WeakPolarHBondContact O-CG 3.35Å; V303-E307 PolarHBondContact O-N 3.31Å
304A97.3Very high97Very high60 Ų6055.3 Ų55.350%0.49629%0.289SS..Hα-helixtrans-64.3-39.5179.200000113.4T302 T308T302-A304 VanDerWaalsContact C-N 3.25Å; T302-A304 PolarHBondContact O-N 2.98Å; A304-T308 WeakPolarHBondContact O-CB 3.42Å; A304-T308 PolarHBondContact O-N 3.28Å; A304-T308 PolarHBondContact O-OG1 3.27Å
305Q97.6Very high96.9Very high21 Ų2161.7 Ų61.710%0.09831%0.312CS..Hα-helixtrans-65.5-42.2174.2-77.3170.2-20.500111.2D190 F193 F301 T302 V303 T308 F309D190-Q305 PolarHBondContact OD1-NE2 2.98Å; F193-Q305 HydrophobicContact CD1-CB 4.48Å; F193-Q305 HydrophobicContact CD1-CG 3.85Å; F193-Q305 HydrophobicContact CE1-CB 4.02Å; F193-Q305 HydrophobicContact CE1-CG 3.74Å; F193-Q305 HydrophobicContact CE2-CB 4.17Å; F193-Q305 HydrophobicContact CG-CG 4.29Å; F193-Q305 HydrophobicContact CZ-CB 3.85Å; F193-Q305 HydrophobicContact CZ-CG 4.1Å; F193-Q305 WeakPolarHBondContact CZ-O 3.46Å; F301-Q305 HydrophobicContact CD1-CB 4.21Å; T302-Q305 VanDerWaalsContact N-OE1 3.12Å; T302-Q305 PolarHBondContact O-N 3.28Å; T302-Q305 VanDerWaalsContact O-N 3.14Å; T302-Q305 WeakPolarHBondContact OG1-CB 3.26Å; T302-Q305 VanDerWaalsContact OG1-CG 3.3Å; T302-Q305 WeakPolarHBondContact OG1-CG 3.28Å; T302-Q305 PolarHBondContact OG1-N 3.45Å; T302-Q305 VanDerWaalsContact OG1-N 3.16Å; T302-Q305 PolarHBondContact OG1-OE1 2.71Å; V303-Q305 PolarHBondContact O-N 3Å; Q305-T308 PolarHBondContact O-N 2.93Å; Q305-F309 VanDerWaalsContact O-CB 3.27Å; Q305-F309 WeakPolarHBondContact O-CB 3.48Å; Q305-F309 PolarHBondContact O-N 2.96Å
306S98.1Very high96.7Very high17 Ų1762.6 Ų62.612%0.11931%0.311CS..Hα-helixtrans-60.3-52175.9-173.10000111K166 T302 V303 T308 F309 D310K166-S306 PolarHBondContact NZ-OG 3.13Å; T302-S306 PolarHBondContact O-N 3.28Å; V303-S306 PolarHBondContact O-N 2.93Å; S306-T308 VanDerWaalsContact C-N 3.27Å; S306-T308 PolarHBondContact O-N 2.94Å; S306-F309 CarbonylContact O-C 3.6Å; S306-F309 WeakPolarHBondContact O-CB 3.39Å; S306-F309 PolarHBondContact O-N 3.48Å; S306-F309 VanDerWaalsContact O-N 3.12Å; S306-D310 WeakPolarHBondContact O-CB 3.47Å; S306-D310 PolarHBondContact O-N 3.34Å; S306-D310 PolarHBondContact OG-OD2 3Å
307E97.5Very high96.7Very high105 Ų10563.1 Ų63.149%0.49131%0.314SS..Hα-helixtrans-60.6-36179.2-71.6177.1-179.400113.1V303 K311V303-E307 HydrophobicContact CG1-CG 4.45Å; V303-E307 WeakPolarHBondContact O-CG 3.35Å; V303-E307 PolarHBondContact O-N 3.31Å; E307-K311 WeakPolarHBondContact O-CG 3Å; E307-K311 PolarHBondContact O-N 3.36Å
308T95.7Very high96.5Very high47 Ų4769.5 Ų69.529%0.28834%0.342SS..Hα-helixtrans-68.2-46.4175.2-59.50000110.3L13 A304 Q305 S306 D310 K311 I312L13-T308 HydrophobicContact CD1-CG2 4.49Å; L13-T308 HydrophobicContact CD2-CG2 4.35Å; A304-T308 WeakPolarHBondContact O-CB 3.42Å; A304-T308 PolarHBondContact O-N 3.28Å; A304-T308 PolarHBondContact O-OG1 3.27Å; Q305-T308 PolarHBondContact O-N 2.93Å; S306-T308 VanDerWaalsContact C-N 3.27Å; S306-T308 PolarHBondContact O-N 2.94Å; T308-D310 VanDerWaalsContact C-N 3.33Å; T308-D310 PolarHBondContact O-N 3.44Å; T308-K311 PolarHBondContact O-N 2.92Å; T308-I312 HydrophobicContact CG2-CD1 4.26Å; T308-I312 WeakPolarHBondContact O-CG1 3.12Å; T308-I312 PolarHBondContact O-N 2.9Å
309F96.7Very high96.3Very high0 Ų070.2 Ų70.20%036%0.36CS..Hα-helixtrans-61.3-41.9177.6-171.7-83.9000111.7P165 K166 F193 Y196 T197 F207 F301 Q305 S306 K311 I312 Y313P165-F309 HydrophobicContact CB-CE1 4.15Å; P165-F309 HydrophobicContact CB-CZ 3.55Å; P165-F309 HydrophobicContact CG-CE1 3.66Å; P165-F309 HydrophobicContact CG-CZ 3.57Å; K166-F309 HydrophobicContact CD-CD1 4.23Å; K166-F309 HydrophobicContact CG-CD1 3.71Å; K166-F309 HydrophobicContact CG-CE1 3.85Å; K166-F309 HydrophobicContact CG-CG 4.31Å; F193-F309 HydrophobicContact CE2-CB 4.32Å; F193-F309 HydrophobicContact CE2-CD2 4.16Å; F193-F309 HydrophobicContact CZ-CB 4.28Å; Y196-F309 HydrophobicContact CE1-CE2 4.05Å; T197-F309 HydrophobicContact CG2-CD2 3.71Å; T197-F309 HydrophobicContact CG2-CE2 4.08Å; F207-F309 HydrophobicContact CE1-CZ 4.47Å; F207-F309 HydrophobicContact CZ-CE2 4.11Å; F207-F309 AromaticContact CZ-CZ 3.78Å; F207-F309 HydrophobicContact CZ-CZ 3.78Å; F301-F309 HydrophobicContact CE1-CB 4.04Å; F301-F309 HydrophobicContact CE1-CD2 4.2Å; F301-F309 HydrophobicContact CE1-CG 4.04Å; Q305-F309 VanDerWaalsContact O-CB 3.27Å; Q305-F309 WeakPolarHBondContact O-CB 3.48Å; Q305-F309 PolarHBondContact O-N 2.96Å; S306-F309 CarbonylContact O-C 3.6Å; S306-F309 WeakPolarHBondContact O-CB 3.39Å; S306-F309 PolarHBondContact O-N 3.48Å; S306-F309 VanDerWaalsContact O-N 3.12Å; F309-K311 VanDerWaalsContact C-N 3.3Å; F309-K311 PolarHBondContact O-N 3.11Å; F309-I312 PolarHBondContact O-N 3.04Å; F309-I312 VanDerWaalsContact O-N 3.16Å; F309-Y313 HydrophobicContact CE1-CD2 4.06Å; F309-Y313 HydrophobicContact CE1-CG 4.31Å; F309-Y313 WeakPolarHBondContact O-CB 3.49Å; F309-Y313 PolarHBondContact O-N 2.95Å
310D96.9Very high96.2Very high63 Ų6366 Ų6634%0.33734%0.339SS..Hα-helixtrans-62.5-38.1-178.9-67.7-28.3000111.6K166 S306 T308 Y313 E314K166-D310 WeakPolarHBondContact CE-OD1 3.49Å; K166-D310 VanDerWaalsContact NZ-CG 3.33Å; K166-D310 IonicContact NZ-OD1 3.45Å; K166-D310 PolarHBondContact NZ-OD1 2.84Å; K166-D310 IonicContact NZ-OD2 3.56Å; K166-D310 PolarHBondContact NZ-OD2 3.38Å; S306-D310 WeakPolarHBondContact O-CB 3.47Å; S306-D310 PolarHBondContact O-N 3.34Å; S306-D310 PolarHBondContact OG-OD2 3Å; T308-D310 VanDerWaalsContact C-N 3.33Å; T308-D310 PolarHBondContact O-N 3.44Å; D310-Y313 PolarHBondContact O-N 3.47Å; D310-E314 WeakPolarHBondContact O-CB 3.48Å; D310-E314 PolarHBondContact O-N 3.17Å
311K96.3Very high96Very high120 Ų12066 Ų6652%0.52236%0.358SS..Hα-helixtrans-65.8-43.2173.4-70166.1-172.9154.10112.5E307 T308 F309 Y313 Y315E307-K311 WeakPolarHBondContact O-CG 3Å; E307-K311 PolarHBondContact O-N 3.36Å; T308-K311 PolarHBondContact O-N 2.92Å; F309-K311 VanDerWaalsContact C-N 3.3Å; F309-K311 PolarHBondContact O-N 3.11Å; K311-Y313 VanDerWaalsContact C-N 3.34Å; K311-Y315 WeakPolarHBondContact O-CB 3.47Å; K311-Y315 PolarHBondContact O-N 2.98Å; K311-Y315 VanDerWaalsContact O-N 3.08Å
312I95.2Very high95.7Very high9 Ų965.5 Ų65.55%0.04636%0.356CS..Hα-helixtrans-63-46.3176.1-63169.5000109.4F207 T308 F309 Y315 R316F207-I312 HydrophobicContact CE2-CG2 3.76Å; F207-I312 HydrophobicContact CZ-CG2 3.78Å; T308-I312 HydrophobicContact CG2-CD1 4.26Å; T308-I312 WeakPolarHBondContact O-CG1 3.12Å; T308-I312 PolarHBondContact O-N 2.9Å; F309-I312 PolarHBondContact O-N 3.04Å; F309-I312 VanDerWaalsContact O-N 3.16Å; I312-Y315 PolarHBondContact O-N 3.45Å; I312-R316 HydrophobicContact CG2-CG 4.02Å; I312-R316 VanDerWaalsContact O-CB 3.3Å; I312-R316 WeakPolarHBondContact O-CB 3.47Å; I312-R316 VanDerWaalsContact O-CG 3.25Å; I312-R316 WeakPolarHBondContact O-CG 3.21Å; I312-R316 PolarHBondContact O-N 3.34Å
313Y96.2Very high95.5Very high30 Ų3068.2 Ų68.212%0.11837%0.368CS..Hα-helixtrans-61.1-49.2179.7-178.7-89.1000111.6P165 W206 F207 F309 D310 K311 Y315 R316 M317 F326P165-Y313 HydrophobicContact CG-CD2 3.66Å; P165-Y313 HydrophobicContact CG-CE2 3.7Å; W206-Y313 HydrophobicContact CH2-CE2 4.28Å; W206-Y313 HydrophobicContact CZ3-CE2 4.33Å; F207-Y313 AromaticContact CE1-CD2 3.98Å; F207-Y313 HydrophobicContact CE1-CD2 3.98Å; F309-Y313 HydrophobicContact CE1-CD2 4.06Å; F309-Y313 HydrophobicContact CE1-CG 4.31Å; F309-Y313 WeakPolarHBondContact O-CB 3.49Å; F309-Y313 PolarHBondContact O-N 2.95Å; D310-Y313 PolarHBondContact O-N 3.47Å; K311-Y313 VanDerWaalsContact C-N 3.34Å; Y313-Y315 VanDerWaalsContact C-N 3.31Å; Y313-Y315 PolarHBondContact O-N 3.22Å; Y313-R316 PolarHBondContact O-N 2.58Å; Y313-M317 HydrophobicContact CD1-CB 4.49Å; Y313-M317 HydrophobicContact CD1-CG 4.39Å; Y313-M317 HydrophobicContact CD2-CG 3.72Å; Y313-M317 HydrophobicContact CE1-CB 4.22Å; Y313-M317 HydrophobicContact CE1-CG 4.23Å; Y313-M317 HydrophobicContact CE2-CB 4.39Å; Y313-M317 HydrophobicContact CE2-CG 3.55Å; Y313-M317 HydrophobicContact CG-CG 4.14Å; Y313-M317 WeakPolarHBondContact O-CB 3.42Å; Y313-M317 WeakPolarHBondContact O-CG 3.31Å; Y313-M317 PolarHBondContact O-N 3.02Å; Y313-F326 HydrophobicContact CD1-CZ 4.44Å; Y313-F326 AromaticContact CD2-CZ 3.97Å; Y313-F326 HydrophobicContact CD2-CZ 3.97Å; Y313-F326 HydrophobicContact CE1-CE2 4.09Å; Y313-F326 HydrophobicContact CE1-CZ 4.2Å; Y313-F326 HydrophobicContact CE2-CE2 4.24Å; Y313-F326 AromaticContact CE2-CZ 3.68Å; Y313-F326 HydrophobicContact CE2-CZ 3.68Å; Y313-F326 HydrophobicContact CG-CZ 4.34Å; Y313-F326 AromaticContact CZ-CE2 3.89Å; Y313-F326 AromaticContact CZ-CZ 3.81Å
314E95.4Very high95.4Very high145 Ų14563.5 Ų63.568%0.67834%0.338SS*.Hα-helixtrans-56-47.2176.5-174.7-174.7175.400110.9D310 K318D310-E314 WeakPolarHBondContact O-CB 3.48Å; D310-E314 PolarHBondContact O-N 3.17Å; E314-K318 WeakPolarHBondContact O-CB 3.27Å; E314-K318 PolarHBondContact O-N 3.5Å; E314-K318 VanDerWaalsContact O-N 3.17Å
315Y94.5Very high95.4Very high154 Ų15463.8 Ų63.860%0.60433%0.331SS*.Hα-helixtrans-64.4-48.5178.9177.8-108000112.5K311 I312 Y313K311-Y315 WeakPolarHBondContact O-CB 3.47Å; K311-Y315 PolarHBondContact O-N 2.98Å; K311-Y315 VanDerWaalsContact O-N 3.08Å; I312-Y315 PolarHBondContact O-N 3.45Å; Y313-Y315 VanDerWaalsContact C-N 3.31Å; Y313-Y315 PolarHBondContact O-N 3.22Å
316R94Very high95.4Very high34 Ų3464.6 Ų64.613%0.12834%0.335CS..Hα-helixtrans-78.6-28.4-172.1-67.3-69.5-84.2-80-17113.9N10 N12 S205 F207 E208 I312 Y313N10-R316 PolarHBondContact O-NH1 3.39Å; N12-R316 PolarHBondContact ND2-NH1 3.36Å; N12-R316 PolarHBondContact OD1-NH1 3.27Å; S205-R316 PolarHBondContact OG-NH2 3.08Å; F207-R316 HydrophobicContact CB-CB 4.3Å; F207-R316 HydrophobicContact CD1-CB 3.56Å; F207-R316 HydrophobicContact CD1-CG 4.33Å; F207-R316 HydrophobicContact CD2-CG 4.46Å; F207-R316 HydrophobicContact CE1-CB 3.96Å; F207-R316 HydrophobicContact CG-CB 3.89Å; F207-R316 HydrophobicContact CG-CG 4.27Å; E208-R316 IonicContact OE1-CZ 3.61Å; E208-R316 VanDerWaalsContact OE1-CZ 3.27Å; E208-R316 IonicContact OE1-NE 2.86Å; E208-R316 PolarHBondContact OE1-NE 3.5Å; E208-R316 IonicContact OE1-NH2 2.8Å; E208-R316 PolarHBondContact OE1-NH2 3.3Å; E208-R316 IonicContact OE2-CZ 2.89Å; E208-R316 IonicContact OE2-NH2 3.89Å; E208-R316 PolarHBondContact OE2-NH2 3.01Å; I312-R316 HydrophobicContact CG2-CG 4.02Å; I312-R316 VanDerWaalsContact O-CB 3.3Å; I312-R316 WeakPolarHBondContact O-CB 3.47Å; I312-R316 VanDerWaalsContact O-CG 3.25Å; I312-R316 WeakPolarHBondContact O-CG 3.21Å; I312-R316 PolarHBondContact O-N 3.34Å; Y313-R316 PolarHBondContact O-N 2.58Å
317M95.8Very high95.1Very high13 Ų1368.2 Ų68.26%0.06435%0.35CS..Hα-helixtrans-96-5.8179.8-59.5-58.6-67.500112.8W206 F207 T211 Y313 S319 T320 I322 F324W206-M317 HydrophobicContact CH2-CE 4.25Å; W206-M317 HydrophobicContact CH2-SD 4.37Å; W206-M317 HydrophobicContact CZ3-CE 4.28Å; W206-M317 HydrophobicContact CZ3-SD 3.81Å; F207-M317 HydrophobicContact CD1-CG 4.11Å; F207-M317 HydrophobicContact CD1-SD 3.85Å; F207-M317 HydrophobicContact CE1-CG 4.22Å; F207-M317 HydrophobicContact CE1-SD 4.49Å; T211-M317 HydrophobicContact CG2-CE 4.06Å; T211-M317 HydrophobicContact CG2-SD 3.72Å; Y313-M317 HydrophobicContact CD1-CB 4.49Å; Y313-M317 HydrophobicContact CD1-CG 4.39Å; Y313-M317 HydrophobicContact CD2-CG 3.72Å; Y313-M317 HydrophobicContact CE1-CB 4.22Å; Y313-M317 HydrophobicContact CE1-CG 4.23Å; Y313-M317 HydrophobicContact CE2-CB 4.39Å; Y313-M317 HydrophobicContact CE2-CG 3.55Å; Y313-M317 HydrophobicContact CG-CG 4.14Å; Y313-M317 WeakPolarHBondContact O-CB 3.42Å; Y313-M317 WeakPolarHBondContact O-CG 3.31Å; Y313-M317 PolarHBondContact O-N 3.02Å; M317-S319 PolarHBondContact O-N 2.89Å; M317-T320 WeakPolarHBondContact O-CB 3.41Å; M317-T320 VanDerWaalsContact O-CG2 3.32Å; M317-T320 WeakPolarHBondContact O-CG2 3.19Å; M317-T320 PolarHBondContact O-N 3.19Å; M317-T320 VanDerWaalsContact O-N 3.14Å; M317-T320 PolarHBondContact O-OG1 3.41Å; M317-I322 HydrophobicContact CE-CG2 3.49Å; M317-I322 VanDerWaalsContact CE-CG2 3.49Å; M317-F324 HydrophobicContact CE-CD2 4.49Å; M317-F324 HydrophobicContact CE-CE2 4.04Å
318K93.9Very high94.7Very high157 Ų15767 Ų6768%0.68335%0.345SS*.THydrogen-bonded Turntrans-51130.1174.8-165.9170.5-177.2173.50110.8E314 T320E314-K318 WeakPolarHBondContact O-CB 3.27Å; E314-K318 PolarHBondContact O-N 3.5Å; E314-K318 VanDerWaalsContact O-N 3.17Å; K318-T320 PolarHBondContact O-N 3.43Å; K318-T320 VanDerWaalsContact O-N 3.11Å
319S92.2Very high93.3Very high120 Ų12075.9 Ų75.984%0.83939%0.391SS*.THydrogen-bonded Turntrans62.315175.9-54.10000115.6M317M317-S319 PolarHBondContact O-N 2.89Å
320T94.5Very high93.1Very high27 Ų2779.7 Ų79.717%0.16641%0.41CS..SBendtrans-78.8-24.9173.561.90000112.6T211 W214 M317 K318 I322T211-T320 HydrophobicContact CG2-CG2 3.66Å; W214-T320 VanDerWaalsContact CD1-O 3.32Å; W214-T320 PolarHBondContact NE1-O 3.25Å; M317-T320 WeakPolarHBondContact O-CB 3.41Å; M317-T320 VanDerWaalsContact O-CG2 3.32Å; M317-T320 WeakPolarHBondContact O-CG2 3.19Å; M317-T320 PolarHBondContact O-N 3.19Å; M317-T320 VanDerWaalsContact O-N 3.14Å; M317-T320 PolarHBondContact O-OG1 3.41Å; K318-T320 PolarHBondContact O-N 3.43Å; K318-T320 VanDerWaalsContact O-N 3.11Å; T320-I322 VanDerWaalsContact C-N 3.26Å; T320-I322 PolarHBondContact O-N 2.95Å; T320-I322 WeakPolarHBondContact OG1-CG2 3.44Å
321G93.2Very high92.9Very high63 Ų6380.6 Ų80.665%0.64941%0.414SS*.  trans69.520.5-177.900000114W214W214-G321 WeakPolarHBondContact CZ2-O 3.42Å
322I93.9Very high92.7Very high7 Ų778.4 Ų78.44%0.03641%0.408CS..  trans-121.6129.4170.5-174.3171.2000109.6V210 W214 F225 M317 T320 F324V210-I322 HydrophobicContact CG1-CD1 4.48Å; W214-I322 HydrophobicContact CD2-CB 4.08Å; W214-I322 HydrophobicContact CD2-CD1 4.01Å; W214-I322 HydrophobicContact CD2-CG1 4.49Å; W214-I322 HydrophobicContact CE3-CD1 4.01Å; W214-I322 HydrophobicContact CG-CB 4.23Å; W214-I322 HydrophobicContact CG-CD1 4.32Å; W214-I322 HydrophobicContact CG-CG2 4.21Å; W214-I322 HydrophobicContact CZ2-CB 4.05Å; W214-I322 HydrophobicContact CZ3-CD1 4.39Å; F225-I322 HydrophobicContact CD1-CD1 3.84Å; F225-I322 HydrophobicContact CE1-CD1 3.39Å; F225-I322 HydrophobicContact CZ-CD1 4.25Å; M317-I322 HydrophobicContact CE-CG2 3.49Å; M317-I322 VanDerWaalsContact CE-CG2 3.49Å; T320-I322 VanDerWaalsContact C-N 3.26Å; T320-I322 PolarHBondContact O-N 2.95Å; T320-I322 WeakPolarHBondContact OG1-CG2 3.44Å; I322-F324 HydrophobicContact CD1-CE2 3.8Å; I322-F324 HydrophobicContact CD1-CZ 3.6Å; I322-F324 HydrophobicContact CG1-CD2 4.45Å; I322-F324 HydrophobicContact CG1-CE2 3.78Å; I322-F324 HydrophobicContact CG1-CZ 4.04Å; I322-F324 HydrophobicContact CG2-CE2 4.24Å
323D93.1Very high92.6Very high128 Ų12882.5 Ų82.568%0.68443%0.43SS*.  trans-119149.6179.2-62.8-48.8000110.7K227K227-D323 WeakPolarHBondContact CD-O 3.21Å; K227-D323 PolarHBondContact NZ-O 3.21Å
324F96.3Very high92.4Very high13 Ų1385.8 Ų85.86%0.05745%0.449CS..  trans-127140.4-176.9-71.5-87000110.9C162 N164 W206 V210 K227 M317 I322 F326C162-F324 HydrophobicContact CB-CE1 3.72Å; C162-F324 HydrophobicContact CB-CZ 3.86Å; C162-F324 VanDerWaalsContact SG-CE1 3.58Å; N164-F324 HydrophobicContact CB-CB 3.91Å; N164-F324 HydrophobicContact CB-CD1 4.42Å; N164-F324 HydrophobicContact CB-CG 4.49Å; W206-F324 HydrophobicContact CH2-CD2 4.01Å; W206-F324 AromaticContact CH2-CE2 3.64Å; W206-F324 HydrophobicContact CH2-CE2 3.64Å; W206-F324 HydrophobicContact CH2-CZ 4.07Å; W206-F324 HydrophobicContact CZ2-CD2 4.43Å; W206-F324 HydrophobicContact CZ2-CE1 4.34Å; W206-F324 AromaticContact CZ2-CE2 3.97Å; W206-F324 HydrophobicContact CZ2-CE2 3.97Å; W206-F324 AromaticContact CZ2-CZ 3.92Å; W206-F324 HydrophobicContact CZ2-CZ 3.92Å; V210-F324 HydrophobicContact CG1-CE2 4.17Å; V210-F324 HydrophobicContact CG1-CZ 3.83Å; K227-F324 HydrophobicContact CD-CD1 4.35Å; K227-F324 HydrophobicContact CD-CE1 4.43Å; M317-F324 HydrophobicContact CE-CD2 4.49Å; M317-F324 HydrophobicContact CE-CE2 4.04Å; I322-F324 HydrophobicContact CD1-CE2 3.8Å; I322-F324 HydrophobicContact CD1-CZ 3.6Å; I322-F324 HydrophobicContact CG1-CD2 4.45Å; I322-F324 HydrophobicContact CG1-CE2 3.78Å; I322-F324 HydrophobicContact CG1-CZ 4.04Å; I322-F324 HydrophobicContact CG2-CE2 4.24Å; F324-F326 HydrophobicContact CB-CE2 4.45Å; F324-F326 WeakPolarHBondContact O-CD2 3.46Å
325D96.6Very high92.2Very high66 Ų6681.8 Ų81.835%0.35343%0.434SS..  trans-87114.1176.5-48.1-81.2000108.5K227 E229 E327K227-D325 IonicContact NZ-OD2 2.92Å; K227-D325 PolarHBondContact NZ-OD2 2.76Å; E229-D325 HydrophobicContact CB-CB 4.07Å; E229-D325 HydrophobicContact CG-CB 3.96Å; E229-D325 VanDerWaalsContact CG-O 3.26Å; E229-D325 WeakPolarHBondContact CG-O 3.19Å; D325-E327 VanDerWaalsContact C-N 3.31Å
326F96.7Very high92Very high39 Ų3976.6 Ų76.617%0.17142%0.422CS..SBendtrans-84-12.7179.1-72.2-87.9000112.5N164 P165 K166 W297 Y313 F324N164-F326 HydrophobicContact CB-CD1 4.09Å; N164-F326 HydrophobicContact CB-CE1 4.17Å; P165-F326 HydrophobicContact CG-CE1 3.89Å; P165-F326 HydrophobicContact CG-CZ 3.96Å; K166-F326 HydrophobicContact CB-CD1 4.04Å; K166-F326 HydrophobicContact CB-CE1 4.1Å; K166-F326 HydrophobicContact CD-CD1 3.87Å; K166-F326 HydrophobicContact CD-CE1 4Å; K166-F326 HydrophobicContact CG-CD1 3.96Å; K166-F326 HydrophobicContact CG-CE1 3.74Å; W297-F326 HydrophobicContact CZ2-CB 4.48Å; W297-F326 PolarHBondContact NE1-O 3.34Å; Y313-F326 HydrophobicContact CD1-CZ 4.44Å; Y313-F326 AromaticContact CD2-CZ 3.97Å; Y313-F326 HydrophobicContact CD2-CZ 3.97Å; Y313-F326 HydrophobicContact CE1-CE2 4.09Å; Y313-F326 HydrophobicContact CE1-CZ 4.2Å; Y313-F326 HydrophobicContact CE2-CE2 4.24Å; Y313-F326 AromaticContact CE2-CZ 3.68Å; Y313-F326 HydrophobicContact CE2-CZ 3.68Å; Y313-F326 HydrophobicContact CG-CZ 4.34Å; Y313-F326 AromaticContact CZ-CE2 3.89Å; Y313-F326 AromaticContact CZ-CZ 3.81Å; F324-F326 HydrophobicContact CB-CE2 4.45Å; F324-F326 WeakPolarHBondContact O-CD2 3.46Å
327E93.2Very high91.9Very high92 Ų9279.9 Ų79.943%0.4344%0.444SS..SBendtrans-149.5151.9-177-55.2-175.9-169.400108.7K298 D325K298-E327 WeakPolarHBondContact CE-OE1 3.36Å; K298-E327 WeakPolarHBondContact CE-OE2 3.34Å; K298-E327 IonicContact NZ-OE1 3.26Å; K298-E327 PolarHBondContact NZ-OE1 2.65Å; K298-E327 IonicContact NZ-OE2 3.96Å; K298-E327 PolarHBondContact NZ-OE2 2.77Å; D325-E327 VanDerWaalsContact C-N 3.31Å
328M87.7Confident91.5Very high80 Ų8085.5 Ų85.539%0.39448%0.476SS..  trans-87.7130.7170.1-57.2-65.5-7100108.2Q232 V233 V294Q232-M328 HydrophobicContact CB-CE 3.94Å; Q232-M328 HydrophobicContact CB-SD 4.23Å; V233-M328 HydrophobicContact CB-CE 4.3Å; V233-M328 HydrophobicContact CG2-CE 3.41Å; V233-M328 VanDerWaalsContact CG2-CE 3.41Å; V233-M328 HydrophobicContact CG2-SD 4.26Å; V294-M328 HydrophobicContact CB-CG 3.81Å; V294-M328 HydrophobicContact CB-SD 4Å; V294-M328 HydrophobicContact CG1-CG 4.18Å; V294-M328 HydrophobicContact CG1-SD 4.22Å; V294-M328 HydrophobicContact CG2-CG 4.4Å; V294-M328 HydrophobicContact CG2-SD 4Å
329N67Low91.3Very high234 Ų23479 Ų79100%1.25146%0.457SS*.  trans-68.80175.1-71.4-30.8000112.8

Retrieved 329 of 329 residues in 129.5 ms (Link to these results)

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