G4VFD1_SCHMA Loading...

UDP-glucose 6-dehydrogenase

Involved in the biosynthesis of glycosaminoglycans; hyaluronan, chondroitin sulfate, and heparan sulfate.

AlphaFold DB , UniProt , Accession G4VFD1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 486 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
1M68.8Low94Very high154 Ų15430.5 Ų30.576%0.75917%0.172SC*.  0153.80-79.8-170-84.500107.7W211M1-W211 HydrophobicContact SD-CZ2 3.93Å
2L88.9Confident93.9Very high9 Ų930.9 Ų30.95%0.04717%0.169CC..  trans-64.8132.7-179.2-172.576000110.2V5 I28 E81 M82 M208 W211 I212L2-V5 HydrophobicContact CD2-CG2 3.65Å; L2-V5 HydrophobicContact CG-CG2 4.22Å; L2-I28 HydrophobicContact CD2-CD1 4.48Å; L2-E81 HydrophobicContact CD1-CB 3.43Å; L2-E81 VanDerWaalsContact CD1-CB 3.43Å; L2-E81 HydrophobicContact CD1-CG 4.44Å; L2-M82 HydrophobicContact CD1-CB 3.88Å; L2-M82 HydrophobicContact CD2-CB 4.27Å; L2-M82 HydrophobicContact CD2-CE 4.14Å; L2-M82 HydrophobicContact CD2-SD 4.24Å; L2-M208 HydrophobicContact CD1-CE 3.63Å; L2-W211 HydrophobicContact CB-CE3 4.33Å; L2-W211 HydrophobicContact CB-CZ3 4.09Å; L2-I212 HydrophobicContact CD2-CD1 3.42Å; L2-I212 VanDerWaalsContact CD2-CD1 3.42Å; L2-I212 HydrophobicContact CD2-CG1 3.77Å
3S95Very high94.1Very high55 Ų5531.2 Ų31.239%0.38517%0.173SC..  trans-125.5-26.5-174.466.80000113.6Q29 E81S3-Q29 PolarHBondContact O-N 3.36Å; S3-E81 WeakPolarHBondContact CA-OE2 3.04Å; S3-E81 PolarHBondContact N-OE2 2.96Å; S3-E81 PolarHBondContact OG-OE2 2.72Å
4K97.9Very high94.3Very high76 Ų7629 Ų2933%0.3316%0.16SC..EExtended strand (participates in β ladder)trans-132.9123.1-177.6-67.9177172.3-1780111.6Q29 D79 E81K4-Q29 WeakPolarHBondContact CA-O 3.4Å; K4-Q29 HydrophobicContact CG-CB 4.29Å; K4-D79 HydrophobicContact CD-CB 4.14Å; K4-D79 WeakPolarHBondContact CD-O 3.18Å; K4-D79 IonicContact NZ-OD1 2.82Å; K4-D79 PolarHBondContact NZ-OD1 3.32Å; K4-E81 PolarHBondContact N-OE2 3.01Å; K4-E81 VanDerWaalsContact N-OE2 3.16Å; K4-E81 PolarHBondContact O-N 2.79Å
5V98.5Very high94.5Very high1 Ų127.1 Ų27.11%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-119.6135.7176.4172.70000109.3L2 L18 I28 Q29 V30 T31 M82 F84 I212L2-V5 HydrophobicContact CD2-CG2 3.65Å; L2-V5 HydrophobicContact CG-CG2 4.22Å; V5-L18 HydrophobicContact CG1-CD1 3.8Å; V5-I28 HydrophobicContact CB-CG2 3.97Å; V5-I28 HydrophobicContact CG2-CG2 3.59Å; V5-Q29 PolarHBondContact N-O 3.25Å; V5-V30 WeakPolarHBondContact O-CA 3.24Å; V5-T31 PolarHBondContact O-N 3.4Å; V5-M82 WeakPolarHBondContact CA-O 3.4Å; V5-M82 HydrophobicContact CG2-CB 4.35Å; V5-F84 HydrophobicContact CG1-CD2 3.6Å; V5-F84 HydrophobicContact CG1-CE2 3.57Å; V5-I212 HydrophobicContact CG2-CD1 4.3Å
6C98.5Very high94.7Very high1 Ų125.4 Ų25.41%0.00714%0.14CC..EExtended strand (participates in β ladder)trans-116.5149171.7174.90000110.3T31 A76 A80 M82 I83 F84C6-T31 CarbonylContact C-O 3.26Å; C6-T31 VanDerWaalsContact CA-O 3.22Å; C6-T31 WeakPolarHBondContact CA-O 3.49Å; C6-A76 HydrophobicContact CB-CB 4.48Å; C6-A80 HydrophobicContact CB-CB 3.47Å; C6-A80 VanDerWaalsContact CB-CB 3.47Å; C6-M82 PolarHBondContact N-O 3.19Å; C6-I83 HydrophobicContact CB-CG1 4.33Å; C6-I83 CarbonylContact O-C 3.57Å; C6-I83 VanDerWaalsContact O-CA 3.31Å; C6-I83 WeakPolarHBondContact O-CA 3.32Å; C6-F84 PolarHBondContact O-N 3.25Å
7C98.8Very high94.9Very high0 Ų024 Ų240%013%0.133CC..EExtended strand (participates in β ladder)trans-126.2124.8166.8177.80000111.2G9 L18 T31 V32 V33 F84 S86C7-G9 PolarHBondContact SG-O 3.3Å; C7-L18 HydrophobicContact CB-CD1 4.16Å; C7-L18 HydrophobicContact CB-CD2 3.42Å; C7-L18 VanDerWaalsContact CB-CD2 3.42Å; C7-L18 HydrophobicContact CB-CG 3.44Å; C7-L18 VanDerWaalsContact CB-CG 3.44Å; C7-L18 VanDerWaalsContact SG-CD2 3.51Å; C7-T31 PolarHBondContact N-O 3.17Å; C7-V32 HydrophobicContact CB-CG1 4.4Å; C7-V33 WeakPolarHBondContact O-CG2 3.36Å; C7-V33 PolarHBondContact O-N 3.32Å; C7-F84 CarbonylContact C-O 3.46Å; C7-F84 WeakPolarHBondContact CA-O 3.35Å; C7-F84 HydrophobicContact CB-CB 4.03Å; C7-S86 PolarHBondContact SG-OG 3.37Å
8L98.5Very high95.1Very high10 Ų1022.7 Ų22.75%0.05213%0.125CC..EExtended strand (participates in β ladder)trans-86.8114.8171.1-52.9-172000109.2V33 I73 I77 I83 F84 S86 A110 I114L8-V33 HydrophobicContact CD2-CG2 3.36Å; L8-I73 HydrophobicContact CD2-CG2 3.9Å; L8-I77 HydrophobicContact CD1-CD1 4.14Å; L8-I77 HydrophobicContact CD1-CG1 4.48Å; L8-I77 HydrophobicContact CD2-CD1 4.03Å; L8-I77 HydrophobicContact CD2-CG1 3.86Å; L8-I83 HydrophobicContact CD1-CG2 4.23Å; L8-I83 HydrophobicContact CG-CG2 3.92Å; L8-F84 PolarHBondContact N-O 3.5Å; L8-S86 CarbonylContact O-C 3.57Å; L8-S86 WeakPolarHBondContact O-CA 3.32Å; L8-S86 PolarHBondContact O-N 3.12Å; L8-A110 HydrophobicContact CD1-CB 3.88Å; L8-I114 HydrophobicContact CD1-CD1 3.71Å; L8-I114 HydrophobicContact CD1-CG1 3.78Å
9G97.7Very high95.3Very high8 Ų821.5 Ų21.58%0.08212%0.119CC..  trans107.3111.4-173.400000110.7C7 G11 G14 V33 D34C7-G9 PolarHBondContact SG-O 3.3Å; G9-G11 VanDerWaalsContact C-N 3.31Å; G9-G14 WeakPolarHBondContact O-CA 3.43Å; G9-V33 CarbonylContact C-O 3.47Å; G9-V33 PolarHBondContact N-O 3Å; G9-D34 WeakPolarHBondContact CA-OD2 3.35Å
10A97.3Very high95.4Very high0 Ų020.5 Ų20.50%011%0.113CC..  trans-98.522.3173.800000111.7V32 D34 Q39 I40 W43A10-V32 HydrophobicContact CB-CG1 3.69Å; A10-D34 HydrophobicContact CB-CB 3.68Å; A10-D34 PolarHBondContact N-OD2 3.14Å; A10-Q39 PolarHBondContact O-NE2 3.39Å; A10-I40 HydrophobicContact CB-CD1 3.87Å; A10-W43 PolarHBondContact O-NE1 3.02Å
11G94.2Very high95.6Very high22 Ų2219.5 Ų19.523%0.22711%0.108CC..SBendtrans-65.7-171.9170.700000112.9G9 V13 G14 G15G9-G11 VanDerWaalsContact C-N 3.31Å; G11-V13 PolarHBondContact O-N 3.14Å; G11-G14 PolarHBondContact O-N 3.2Å; G11-G15 PolarHBondContact O-N 3.37Å
12Y93.2Very high97Very high35 Ų3512.2 Ų12.214%0.1377%0.072CC..Hα-helixtrans-54.3-49.5-174.4-168-80.9000113S16 I50 E52 E178 A181Y12-S16 VanDerWaalsContact O-CB 3.3Å; Y12-S16 WeakPolarHBondContact O-CB 3.43Å; Y12-S16 PolarHBondContact O-N 3.02Å; Y12-S16 VanDerWaalsContact O-N 3.16Å; Y12-S16 PolarHBondContact O-OG 3.19Å; Y12-I50 HydrophobicContact CD2-CB 3.9Å; Y12-I50 HydrophobicContact CD2-CD1 3.68Å; Y12-I50 HydrophobicContact CD2-CG1 4.43Å; Y12-I50 HydrophobicContact CD2-CG2 3.89Å; Y12-I50 HydrophobicContact CE2-CB 4.39Å; Y12-I50 HydrophobicContact CE2-CD1 3.96Å; Y12-I50 HydrophobicContact CG-CD1 4.09Å; Y12-I50 HydrophobicContact CG-CG2 4.49Å; Y12-E52 PolarHBondContact OH-OE2 3.37Å; Y12-E178 HydrophobicContact CE1-CG 4.06Å; Y12-E178 HydrophobicContact CE2-CG 4.15Å; Y12-E178 WeakPolarHBondContact OH-CA 3.41Å; Y12-A181 HydrophobicContact CE1-CB 3.68Å; Y12-A181 VanDerWaalsContact OH-CB 3.26Å; Y12-A181 WeakPolarHBondContact OH-CB 3.17Å
13V95.4Very high97.4Very high35 Ų3514.7 Ų14.721%0.2128%0.083CC..Hα-helixtrans-67-51.7-179.3176.10000112G11 S16 T17 K127 E174G11-V13 PolarHBondContact O-N 3.14Å; V13-S16 PolarHBondContact O-OG 3.17Å; V13-T17 WeakPolarHBondContact O-CB 3.46Å; V13-T17 PolarHBondContact O-N 3.1Å; V13-T17 PolarHBondContact O-OG1 3.43Å; V13-K127 HydrophobicContact CG1-CG 3.76Å; V13-E174 HydrophobicContact CG1-CB 4.02Å; V13-E174 HydrophobicContact CG1-CG 3.79Å; V13-E174 HydrophobicContact CG2-CG 3.9Å
14G97.5Very high97.6Very high0 Ų015.6 Ų15.60%08%0.079CC..Hα-helixtrans-66.3-47.6-176.200000112.2G9 G11 L18G9-G14 WeakPolarHBondContact O-CA 3.43Å; G11-G14 PolarHBondContact O-N 3.2Å; G14-L18 WeakPolarHBondContact O-CB 3.44Å; G14-L18 WeakPolarHBondContact O-CD2 3.49Å; G14-L18 PolarHBondContact O-N 3.12Å; G14-L18 VanDerWaalsContact O-N 3.14Å
15G97.5Very high97.6Very high0 Ų012 Ų120%06%0.063CC..Hα-helixtrans-61-48178.700000112.8G11 S19G11-G15 PolarHBondContact O-N 3.37Å; G15-S19 VanDerWaalsContact O-CB 3.31Å; G15-S19 WeakPolarHBondContact O-CB 3.47Å; G15-S19 PolarHBondContact O-N 3.04Å; G15-S19 PolarHBondContact O-OG 2.77Å
16S97.1Very high97.5Very high0 Ų016 Ų160%09%0.089CC..Hα-helixtrans-67.5-53.9179.458.30000112.3Y12 V13 L18 S19 I20Y12-S16 VanDerWaalsContact O-CB 3.3Å; Y12-S16 WeakPolarHBondContact O-CB 3.43Å; Y12-S16 PolarHBondContact O-N 3.02Å; Y12-S16 VanDerWaalsContact O-N 3.16Å; Y12-S16 PolarHBondContact O-OG 3.19Å; V13-S16 PolarHBondContact O-OG 3.17Å; S16-L18 VanDerWaalsContact C-N 3.34Å; S16-L18 PolarHBondContact O-N 3.22Å; S16-S19 PolarHBondContact O-N 3.37Å; S16-S19 VanDerWaalsContact O-N 3.17Å; S16-I20 WeakPolarHBondContact O-CG1 3.47Å; S16-I20 PolarHBondContact O-N 3.25Å
17T98Very high97.5Very high2 Ų220.7 Ų20.71%0.01211%0.111CC..Hα-helixtrans-56.2-47-175.8-580000111.9V13 I20 I21 L185V13-T17 WeakPolarHBondContact O-CB 3.46Å; V13-T17 PolarHBondContact O-N 3.1Å; V13-T17 PolarHBondContact O-OG1 3.43Å; T17-I20 PolarHBondContact O-N 3.09Å; T17-I21 HydrophobicContact CG2-CD1 4.13Å; T17-I21 PolarHBondContact O-N 3.1Å; T17-L185 HydrophobicContact CG2-CD2 4.21Å
18L98.5Very high97.5Very high0 Ų020.7 Ų20.70%011%0.111CC..Hα-helixtrans-76.8-27-175.7-79.1-56.9000112.1V5 C7 G14 S16 I20 I21 A22 V30 V32 F84V5-L18 HydrophobicContact CG1-CD1 3.8Å; C7-L18 HydrophobicContact CB-CD1 4.16Å; C7-L18 HydrophobicContact CB-CD2 3.42Å; C7-L18 VanDerWaalsContact CB-CD2 3.42Å; C7-L18 HydrophobicContact CB-CG 3.44Å; C7-L18 VanDerWaalsContact CB-CG 3.44Å; C7-L18 VanDerWaalsContact SG-CD2 3.51Å; G14-L18 WeakPolarHBondContact O-CB 3.44Å; G14-L18 WeakPolarHBondContact O-CD2 3.49Å; G14-L18 PolarHBondContact O-N 3.12Å; G14-L18 VanDerWaalsContact O-N 3.14Å; S16-L18 VanDerWaalsContact C-N 3.34Å; S16-L18 PolarHBondContact O-N 3.22Å; L18-I20 VanDerWaalsContact C-N 3.31Å; L18-I21 HydrophobicContact CD1-CD1 3.96Å; L18-I21 PolarHBondContact O-N 3.43Å; L18-A22 WeakPolarHBondContact O-CB 3.34Å; L18-A22 PolarHBondContact O-N 3.06Å; L18-V30 HydrophobicContact CB-CG1 3.71Å; L18-V30 HydrophobicContact CD1-CG1 3.82Å; L18-V30 HydrophobicContact CG-CG1 4.1Å; L18-V32 HydrophobicContact CB-CG2 3.52Å; L18-V32 HydrophobicContact CG-CG2 4.08Å; L18-F84 HydrophobicContact CD1-CD2 4.05Å; L18-F84 HydrophobicContact CD1-CE2 4.34Å; L18-F84 HydrophobicContact CD1-CG 4.48Å; L18-F84 HydrophobicContact CD2-CB 4.42Å; L18-F84 HydrophobicContact CD2-CG 4.46Å
19S98.6Very high97.5Very high0 Ų023.7 Ų23.70%013%0.125CC..Hα-helixtrans-64-39.1169.6-58.70000111.3G15 S16 A22 H23G15-S19 VanDerWaalsContact O-CB 3.31Å; G15-S19 WeakPolarHBondContact O-CB 3.47Å; G15-S19 PolarHBondContact O-N 3.04Å; G15-S19 PolarHBondContact O-OG 2.77Å; S16-S19 PolarHBondContact O-N 3.37Å; S16-S19 VanDerWaalsContact O-N 3.17Å; S19-A22 PolarHBondContact O-N 3.25Å; S19-H23 PolarHBondContact O-N 3.46Å
20I98.3Very high97.5Very high1 Ų123.3 Ų23.31%0.00512%0.121CC..Hα-helixtrans-70.2-40.1175.2-59.3-53.6000111.9S16 T17 L18 A22 H23 Y24 I58 V182 L185 W216S16-I20 WeakPolarHBondContact O-CG1 3.47Å; S16-I20 PolarHBondContact O-N 3.25Å; T17-I20 PolarHBondContact O-N 3.09Å; L18-I20 VanDerWaalsContact C-N 3.31Å; I20-A22 VanDerWaalsContact C-N 3.34Å; I20-A22 PolarHBondContact O-N 3.49Å; I20-H23 WeakPolarHBondContact O-CB 3.24Å; I20-H23 PolarHBondContact O-N 3.22Å; I20-H23 VanDerWaalsContact O-N 3.13Å; I20-Y24 HydrophobicContact CG2-CD2 3.71Å; I20-Y24 HydrophobicContact CG2-CE2 3.77Å; I20-Y24 WeakPolarHBondContact O-CD2 3.1Å; I20-Y24 PolarHBondContact O-N 3.31Å; I20-Y24 VanDerWaalsContact O-N 3.12Å; I20-I58 HydrophobicContact CD1-CD1 3.34Å; I20-I58 HydrophobicContact CD1-CG2 4.28Å; I20-V182 HydrophobicContact CD1-CG1 4.36Å; I20-L185 HydrophobicContact CB-CB 4.16Å; I20-L185 HydrophobicContact CB-CD1 4.42Å; I20-L185 HydrophobicContact CG1-CB 3.67Å; I20-L185 HydrophobicContact CG1-CD1 3.65Å; I20-L185 HydrophobicContact CG1-CG 4.25Å; I20-L185 HydrophobicContact CG2-CB 4.06Å; I20-W216 HydrophobicContact CG2-CZ2 4.23Å
21I98.5Very high97.6Very high1 Ų125 Ų251%0.00513%0.131CC..Hα-helixtrans-59.7-46.1173-73.6166.8000110.5T17 L18 H23 Y24 C25 V30 F84 I212 W216T17-I21 HydrophobicContact CG2-CD1 4.13Å; T17-I21 PolarHBondContact O-N 3.1Å; L18-I21 HydrophobicContact CD1-CD1 3.96Å; L18-I21 PolarHBondContact O-N 3.43Å; I21-H23 PolarHBondContact O-N 2.99Å; I21-Y24 PolarHBondContact O-N 3.03Å; I21-C25 VanDerWaalsContact O-CB 3.25Å; I21-C25 WeakPolarHBondContact O-CB 3.34Å; I21-C25 PolarHBondContact O-N 3.44Å; I21-V30 HydrophobicContact CG2-CG2 4.02Å; I21-F84 HydrophobicContact CD1-CE1 4.47Å; I21-F84 HydrophobicContact CD1-CE2 4.39Å; I21-F84 HydrophobicContact CD1-CZ 3.97Å; I21-I212 HydrophobicContact CB-CG2 4.48Å; I21-I212 HydrophobicContact CD1-CG2 4.18Å; I21-I212 HydrophobicContact CG1-CG2 3.91Å; I21-I212 HydrophobicContact CG2-CG2 3.84Å; I21-W216 HydrophobicContact CG1-CH2 3.85Å
22A98.6Very high97.8Very high0 Ų023.9 Ų23.90%012%0.12CC..Hα-helixtrans-62-32.1176.700000112.5L18 S19 I20 V30 H62 N66 L67L18-A22 WeakPolarHBondContact O-CB 3.34Å; L18-A22 PolarHBondContact O-N 3.06Å; S19-A22 PolarHBondContact O-N 3.25Å; I20-A22 VanDerWaalsContact C-N 3.34Å; I20-A22 PolarHBondContact O-N 3.49Å; A22-V30 HydrophobicContact CB-CB 4.1Å; A22-V30 HydrophobicContact CB-CG2 3.97Å; A22-H62 HydrophobicContact CB-CB 4.47Å; A22-N66 PolarHBondContact O-ND2 3.19Å; A22-L67 HydrophobicContact CB-CB 3.77Å; A22-L67 HydrophobicContact CB-CD1 4.1Å; A22-L67 HydrophobicContact CB-CG 4.38Å
23H98.4Very high98.1Very high62 Ų6222.3 Ų22.329%0.28711%0.114SC..Hα-helixtrans-66-46.6177.6-178.842.1000113.2S19 I20 I21 I58 H62S19-H23 PolarHBondContact O-N 3.46Å; I20-H23 WeakPolarHBondContact O-CB 3.24Å; I20-H23 PolarHBondContact O-N 3.22Å; I20-H23 VanDerWaalsContact O-N 3.13Å; I21-H23 PolarHBondContact O-N 2.99Å; H23-I58 HydrophobicContact CB-CG2 3.91Å; H23-H62 WeakPolarHBondContact CA-NE2 3.14Å; H23-H62 AromaticContact CE1-CE1 3.94Å; H23-H62 AromaticContact CG-CE1 3.64Å; H23-H62 AromaticContact CG-NE2 3.98Å; H23-H62 AromaticContact ND1-CE1 2.95Å; H23-H62 PolarHBondContact ND1-CE1 3.22Å; H23-H62 AromaticContact ND1-NE2 3.16Å; H23-H62 PolarHBondContact ND1-NE2 2.81Å; H23-H62 VanDerWaalsContact ND1-NE2 3.16Å
24Y98.3Very high98.2Very high74 Ų7421.8 Ų21.829%0.2911%0.11SC..Hα-helixtrans-90-14.6-176.7-72.3-73.1000114.2I20 I21 P26 C186 W216I20-Y24 HydrophobicContact CG2-CD2 3.71Å; I20-Y24 HydrophobicContact CG2-CE2 3.77Å; I20-Y24 WeakPolarHBondContact O-CD2 3.1Å; I20-Y24 PolarHBondContact O-N 3.31Å; I20-Y24 VanDerWaalsContact O-N 3.12Å; I21-Y24 PolarHBondContact O-N 3.03Å; Y24-P26 VanDerWaalsContact C-CD 3.46Å; Y24-P26 WeakPolarHBondContact O-CD 3.46Å; Y24-C186 HydrophobicContact CE2-CB 4.48Å; Y24-W216 HydrophobicContact CD1-CB 3.41Å; Y24-W216 VanDerWaalsContact CD1-CB 3.41Å; Y24-W216 HydrophobicContact CD1-CD2 4.44Å; Y24-W216 AromaticContact CD1-CG 3.98Å; Y24-W216 HydrophobicContact CD1-CG 3.98Å; Y24-W216 HydrophobicContact CD2-CB 4.01Å; Y24-W216 AromaticContact CD2-CD2 3.56Å; Y24-W216 HydrophobicContact CD2-CD2 3.56Å; Y24-W216 AromaticContact CD2-CE2 3.99Å; Y24-W216 AromaticContact CD2-CE3 3.9Å; Y24-W216 HydrophobicContact CD2-CE3 3.9Å; Y24-W216 AromaticContact CD2-CG 3.61Å; Y24-W216 HydrophobicContact CD2-CG 3.61Å; Y24-W216 HydrophobicContact CE1-CB 3.57Å; Y24-W216 HydrophobicContact CE1-CG 4.14Å; Y24-W216 HydrophobicContact CE2-CB 4.16Å; Y24-W216 AromaticContact CE2-CD1 3.81Å; Y24-W216 HydrophobicContact CE2-CD2 4.16Å; Y24-W216 AromaticContact CE2-CG 3.8Å; Y24-W216 HydrophobicContact CE2-CG 3.8Å; Y24-W216 HydrophobicContact CG-CB 3.64Å; Y24-W216 AromaticContact CG-CD2 3.72Å; Y24-W216 HydrophobicContact CG-CD2 3.72Å; Y24-W216 AromaticContact CG-CE3 3.73Å; Y24-W216 HydrophobicContact CG-CE3 3.73Å; Y24-W216 AromaticContact CG-CG 3.7Å; Y24-W216 HydrophobicContact CG-CG 3.7Å
25C98.1Very high98.1Very high0 Ų027.1 Ų27.10%014%0.143CC..  trans-123.369-179.1-52.60000111I21 E27 I28 N66 H215I21-C25 VanDerWaalsContact O-CB 3.25Å; I21-C25 WeakPolarHBondContact O-CB 3.34Å; I21-C25 PolarHBondContact O-N 3.44Å; C25-E27 WeakPolarHBondContact CA-OE2 3.48Å; C25-E27 PolarHBondContact O-N 3.22Å; C25-E27 VanDerWaalsContact O-N 3.11Å; C25-I28 HydrophobicContact CB-CB 4.17Å; C25-I28 HydrophobicContact CB-CD1 3.52Å; C25-I28 HydrophobicContact CB-CG1 3.8Å; C25-I28 PolarHBondContact O-N 2.79Å; C25-N66 PolarHBondContact O-ND2 3Å; C25-H215 VanDerWaalsContact SG-CG 3.5Å
26P97.3Very high98Very high86 Ų8629.5 Ų29.556%0.55816%0.159SC*.THydrogen-bonded Turntrans-59.5-20.8-178.225.5-35.6000114.4Y24 N66Y24-P26 VanDerWaalsContact C-CD 3.46Å; Y24-P26 WeakPolarHBondContact O-CD 3.46Å; P26-N66 WeakPolarHBondContact CA-ND2 3.28Å
27E97.1Very high98Very high98 Ų9833.7 Ų33.746%0.45818%0.181SC..THydrogen-bonded Turntrans-77.6-16.4175.869-90.8-125.600114C25 W211 H215C25-E27 WeakPolarHBondContact CA-OE2 3.48Å; C25-E27 PolarHBondContact O-N 3.22Å; C25-E27 VanDerWaalsContact O-N 3.11Å; E27-W211 HydrophobicContact CG-CH2 4.18Å; E27-H215 IonicContact OE1-CD2 3.08Å; E27-H215 IonicContact OE1-NE2 2.57Å; E27-H215 PolarHBondContact OE1-NE2 3.46Å
28I98.3Very high97.9Very high0 Ų040.4 Ų40.40%021%0.213CC..SBendtrans-93.8127.5-180-56.8179000109.3L2 V5 C25 V30 N66 W211 I212L2-I28 HydrophobicContact CD2-CD1 4.48Å; V5-I28 HydrophobicContact CB-CG2 3.97Å; V5-I28 HydrophobicContact CG2-CG2 3.59Å; C25-I28 HydrophobicContact CB-CB 4.17Å; C25-I28 HydrophobicContact CB-CD1 3.52Å; C25-I28 HydrophobicContact CB-CG1 3.8Å; C25-I28 PolarHBondContact O-N 2.79Å; I28-V30 HydrophobicContact CB-CG2 4.38Å; I28-V30 HydrophobicContact CG2-CG2 3.88Å; I28-V30 PolarHBondContact O-N 3.34Å; I28-N66 WeakPolarHBondContact O-CB 3.22Å; I28-N66 PolarHBondContact O-ND2 2.83Å; I28-W211 HydrophobicContact CD1-CH2 4.4Å; I28-W211 HydrophobicContact CD1-CZ3 3.76Å; I28-W211 HydrophobicContact CG1-CH2 4.49Å; I28-W211 HydrophobicContact CG1-CZ3 4.23Å; I28-I212 HydrophobicContact CD1-CG1 3.93Å
29Q98.6Very high97.7Very high74 Ų7442.4 Ų42.435%0.34622%0.222SC..EExtended strand (participates in β ladder)trans-79.6110.2166.1-64.7-62.5-55.100109.4S3 K4 V5 H68S3-Q29 PolarHBondContact O-N 3.36Å; K4-Q29 WeakPolarHBondContact CA-O 3.4Å; K4-Q29 HydrophobicContact CG-CB 4.29Å; V5-Q29 PolarHBondContact N-O 3.25Å; Q29-H68 PolarHBondContact OE1-NE2 3.23Å
30V98.8Very high97.7Very high0 Ų042.8 Ų42.80%022%0.224CC..EExtended strand (participates in β ladder)trans-103.3119-178.5-179.70000109.8V5 L18 I21 A22 I28 V32 N66 L67 H68V5-V30 WeakPolarHBondContact O-CA 3.24Å; L18-V30 HydrophobicContact CB-CG1 3.71Å; L18-V30 HydrophobicContact CD1-CG1 3.82Å; L18-V30 HydrophobicContact CG-CG1 4.1Å; I21-V30 HydrophobicContact CG2-CG2 4.02Å; A22-V30 HydrophobicContact CB-CB 4.1Å; A22-V30 HydrophobicContact CB-CG2 3.97Å; I28-V30 HydrophobicContact CB-CG2 4.38Å; I28-V30 HydrophobicContact CG2-CG2 3.88Å; I28-V30 PolarHBondContact O-N 3.34Å; V30-V32 HydrophobicContact CG1-CG2 4.48Å; V30-N66 PolarHBondContact N-O 3.38Å; V30-L67 HydrophobicContact CB-CD1 4.39Å; V30-L67 HydrophobicContact CG1-CD1 4.05Å; V30-L67 CarbonylContact O-C 3.55Å; V30-L67 WeakPolarHBondContact O-CA 3.01Å; V30-H68 PolarHBondContact O-N 2.87Å
31T98.8Very high97.7Very high34 Ų3449.9 Ų49.921%0.20925%0.254CS..EExtended strand (participates in β ladder)trans-117.6114.3177.1-53.70000110.3V5 C6 C7 V33 H68 A76V5-T31 PolarHBondContact O-N 3.4Å; C6-T31 CarbonylContact C-O 3.26Å; C6-T31 VanDerWaalsContact CA-O 3.22Å; C6-T31 WeakPolarHBondContact CA-O 3.49Å; C7-T31 PolarHBondContact N-O 3.17Å; T31-V33 HydrophobicContact CG2-CG1 3.81Å; T31-H68 CarbonylContact C-O 3.48Å; T31-H68 WeakPolarHBondContact CA-O 3.42Å; T31-H68 HydrophobicContact CG2-CB 4.33Å; T31-A76 HydrophobicContact CG2-CB 3.83Å
32V98.8Very high97.7Very high0 Ų052.8 Ų52.80%027%0.269CS..EExtended strand (participates in β ladder)trans-95128.4173.3-171.80000108.6C7 A10 L18 V30 L67 H68 F69 S70C7-V32 HydrophobicContact CB-CG1 4.4Å; A10-V32 HydrophobicContact CB-CG1 3.69Å; L18-V32 HydrophobicContact CB-CG2 3.52Å; L18-V32 HydrophobicContact CG-CG2 4.08Å; V30-V32 HydrophobicContact CG1-CG2 4.48Å; V32-L67 HydrophobicContact CG2-CD1 4.22Å; V32-H68 PolarHBondContact N-O 3.05Å; V32-F69 HydrophobicContact CB-CD1 3.67Å; V32-F69 HydrophobicContact CB-CE1 3.8Å; V32-F69 HydrophobicContact CG1-CD1 4.16Å; V32-F69 HydrophobicContact CG1-CE1 4.18Å; V32-F69 HydrophobicContact CG2-CD1 4.28Å; V32-F69 HydrophobicContact CG2-CE1 3.95Å; V32-F69 VanDerWaalsContact O-CA 3.32Å; V32-F69 WeakPolarHBondContact O-CA 3.48Å; V32-S70 PolarHBondContact O-N 2.79Å
33V98.6Very high97.6Very high1 Ų152.8 Ų52.81%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-127.6148.4-177.7-580000112.9C7 L8 G9 T31 S70 I73 A76C7-V33 WeakPolarHBondContact O-CG2 3.36Å; C7-V33 PolarHBondContact O-N 3.32Å; L8-V33 HydrophobicContact CD2-CG2 3.36Å; G9-V33 CarbonylContact C-O 3.47Å; G9-V33 PolarHBondContact N-O 3Å; T31-V33 HydrophobicContact CG2-CG1 3.81Å; V33-S70 WeakPolarHBondContact CA-O 3.46Å; V33-S70 VanDerWaalsContact CB-O 3.28Å; V33-S70 WeakPolarHBondContact CB-O 3.38Å; V33-S70 WeakPolarHBondContact CG1-O 3.49Å; V33-I73 HydrophobicContact CB-CB 4.48Å; V33-I73 HydrophobicContact CB-CG1 3.76Å; V33-I73 HydrophobicContact CG2-CB 4.17Å; V33-I73 HydrophobicContact CG2-CG1 3.74Å; V33-I73 HydrophobicContact CG2-CG2 4.12Å; V33-A76 HydrophobicContact CG1-CB 3.52Å
34D98Very high97.6Very high24 Ų2453.5 Ų53.513%0.12828%0.275CS..  trans-147.1154.6177.5-152.9-69.7000110.7G9 A10 C36 I40 S70G9-D34 WeakPolarHBondContact CA-OD2 3.35Å; A10-D34 HydrophobicContact CB-CB 3.68Å; A10-D34 PolarHBondContact N-OD2 3.14Å; D34-C36 VanDerWaalsContact C-N 3.27Å; D34-C36 WeakPolarHBondContact OD1-CB 3.46Å; D34-C36 PolarHBondContact OD1-N 2.86Å; D34-I40 HydrophobicContact CB-CD1 3.86Å; D34-I40 HydrophobicContact CB-CG1 4.03Å; D34-S70 PolarHBondContact N-O 2.8Å
35T95.5Very high97.5Very high113 Ų11352 Ų5269%0.69328%0.275SS*.SBendtrans-75.5-18.3171.847.90000112.6D37 I73T35-D37 PolarHBondContact O-N 3.38Å; T35-I73 HydrophobicContact CG2-CD1 3.62Å
36C95.9Very high97.3Very high50 Ų5057.5 Ų57.534%0.33831%0.305SS..  trans-83.496.5177.2-172.70000111.1D34 E38 Q39 I40D34-C36 VanDerWaalsContact C-N 3.27Å; D34-C36 WeakPolarHBondContact OD1-CB 3.46Å; D34-C36 PolarHBondContact OD1-N 2.86Å; C36-E38 PolarHBondContact O-N 2.98Å; C36-Q39 HydrophobicContact CB-CB 3.82Å; C36-Q39 WeakPolarHBondContact O-CB 3.37Å; C36-Q39 PolarHBondContact O-N 3.06Å; C36-Q39 VanDerWaalsContact O-N 3.13Å; C36-I40 PolarHBondContact O-N 2.84Å; C36-I40 VanDerWaalsContact O-N 3.11Å
37D96.9Very high97.1Very high88 Ų8858 Ų5847%0.47131%0.306SS..Hα-helixtrans-57.3-34.7178.4-78.1-32.8000112.9T35 I40 K41 S71T35-D37 PolarHBondContact O-N 3.38Å; D37-I40 PolarHBondContact O-N 2.77Å; D37-K41 VanDerWaalsContact O-CG 3.27Å; D37-K41 WeakPolarHBondContact O-CG 3.29Å; D37-K41 PolarHBondContact O-N 3.25Å; D37-S71 WeakPolarHBondContact OD1-CB 3.48Å; D37-S71 PolarHBondContact OD1-OG 2.9Å
38E95.9Very high97Very high143 Ų14354 Ų5467%0.66829%0.288SS*.Hα-helixtrans-64.2-45177.1-175.7172.3-168.100111.3C36 I40 K41 M42C36-E38 PolarHBondContact O-N 2.98Å; E38-I40 VanDerWaalsContact C-N 3.34Å; E38-I40 PolarHBondContact O-N 3.45Å; E38-K41 WeakPolarHBondContact O-CB 3.33Å; E38-K41 PolarHBondContact O-N 2.84Å; E38-M42 WeakPolarHBondContact O-CG 3.31Å; E38-M42 PolarHBondContact O-N 3.37Å
39Q95.4Very high96.8Very high41 Ų4155 Ų5519%0.19229%0.294CS..Hα-helixtrans-63.4-40.5177.6-172.3167.57.600111.9A10 C36 M42 W43 P49A10-Q39 PolarHBondContact O-NE2 3.39Å; C36-Q39 HydrophobicContact CB-CB 3.82Å; C36-Q39 WeakPolarHBondContact O-CB 3.37Å; C36-Q39 PolarHBondContact O-N 3.06Å; C36-Q39 VanDerWaalsContact O-N 3.13Å; Q39-M42 PolarHBondContact O-N 3.12Å; Q39-W43 PolarHBondContact O-N 2.9Å; Q39-P49 HydrophobicContact CG-CB 3.85Å; Q39-P49 HydrophobicContact CG-CG 3.82Å
40I98.4Very high96.4Very high9 Ų952 Ų525%0.04628%0.28CS..Hα-helixtrans-65.7-37.9174.5-65.3-59.4000111.8A10 D34 C36 D37 E38 M42 W43 N44 F69A10-I40 HydrophobicContact CB-CD1 3.87Å; D34-I40 HydrophobicContact CB-CD1 3.86Å; D34-I40 HydrophobicContact CB-CG1 4.03Å; C36-I40 PolarHBondContact O-N 2.84Å; C36-I40 VanDerWaalsContact O-N 3.11Å; D37-I40 PolarHBondContact O-N 2.77Å; E38-I40 VanDerWaalsContact C-N 3.34Å; E38-I40 PolarHBondContact O-N 3.45Å; I40-M42 VanDerWaalsContact C-N 3.34Å; I40-W43 PolarHBondContact O-N 2.94Å; I40-N44 PolarHBondContact O-N 3.05Å; I40-N44 VanDerWaalsContact O-N 3.11Å; I40-N44 PolarHBondContact O-ND2 3.34Å; I40-F69 HydrophobicContact CD1-CB 4.39Å; I40-F69 HydrophobicContact CG2-CB 4.46Å
41K98Very high95.8Very high149 Ų14956.5 Ų56.565%0.64830%0.298SS*.Hα-helixtrans-62.4-42.9173.1-74.6168.8-175.2173.40111.3D37 E38 N44 S45D37-K41 VanDerWaalsContact O-CG 3.27Å; D37-K41 WeakPolarHBondContact O-CG 3.29Å; D37-K41 PolarHBondContact O-N 3.25Å; E38-K41 WeakPolarHBondContact O-CB 3.33Å; E38-K41 PolarHBondContact O-N 2.84Å; K41-N44 CarbonylContact O-C 3.49Å; K41-N44 PolarHBondContact O-N 3.27Å; K41-N44 VanDerWaalsContact O-N 3.14Å; K41-S45 WeakPolarHBondContact O-CB 3.22Å; K41-S45 PolarHBondContact O-N 2.8Å; K41-S45 VanDerWaalsContact O-N 3.13Å
42M97.4Very high95.5Very high62 Ų6255.3 Ų55.331%0.30529%0.29SS..Hα-helixtrans-61.3-46.5176-69.9-176.278.700111.7E38 Q39 I40 N44 S45 T47 P49E38-M42 WeakPolarHBondContact O-CG 3.31Å; E38-M42 PolarHBondContact O-N 3.37Å; Q39-M42 PolarHBondContact O-N 3.12Å; I40-M42 VanDerWaalsContact C-N 3.34Å; M42-N44 PolarHBondContact O-N 3.12Å; M42-N44 VanDerWaalsContact O-N 3.16Å; M42-S45 WeakPolarHBondContact O-CB 3.09Å; M42-S45 PolarHBondContact O-N 2.67Å; M42-S45 PolarHBondContact O-OG 3.33Å; M42-T47 CarbonylContact C-O 3.52Å; M42-T47 WeakPolarHBondContact CB-O 3.44Å; M42-T47 HydrophobicContact CE-CG2 4.3Å; M42-P49 HydrophobicContact CB-CB 3.92Å; M42-P49 HydrophobicContact CB-CG 4.17Å; M42-P49 HydrophobicContact CE-CB 4.23Å; M42-P49 HydrophobicContact SD-CB 3.89Å
43W98.1Very high95Very high0 Ų058 Ų580%031%0.308CS..Hα-helixtrans-59.2-26.4174.6-80.6118.5000114.1A10 Q39 I40 L48 P49 I50 L55 V59 R63 F69A10-W43 PolarHBondContact O-NE1 3.02Å; Q39-W43 PolarHBondContact O-N 2.9Å; I40-W43 PolarHBondContact O-N 2.94Å; W43-L48 HydrophobicContact CE3-CD2 3.78Å; W43-L48 HydrophobicContact CZ3-CD1 3.99Å; W43-L48 HydrophobicContact CZ3-CD2 4.09Å; W43-L48 HydrophobicContact CZ3-CG 4.43Å; W43-P49 HydrophobicContact CD2-CG 3.78Å; W43-P49 HydrophobicContact CG-CG 3.85Å; W43-P49 HydrophobicContact CZ2-CG 3.88Å; W43-I50 HydrophobicContact CH2-CD1 3.97Å; W43-I50 HydrophobicContact CH2-CG1 3.69Å; W43-I50 HydrophobicContact CZ2-CD1 4.32Å; W43-I50 HydrophobicContact CZ2-CG1 3.9Å; W43-L55 HydrophobicContact CH2-CD2 4.03Å; W43-L55 HydrophobicContact CZ3-CD2 4.33Å; W43-V59 HydrophobicContact CE3-CG1 4.46Å; W43-V59 HydrophobicContact CE3-CG2 4.41Å; W43-V59 HydrophobicContact CZ3-CG2 3.88Å; W43-R63 VanDerWaalsContact O-CD 3.27Å; W43-R63 WeakPolarHBondContact O-CD 3.36Å; W43-R63 PolarHBondContact O-NH1 2.99Å; W43-F69 HydrophobicContact CB-CB 3.85Å; W43-F69 HydrophobicContact CB-CD1 3.53Å; W43-F69 HydrophobicContact CB-CD2 3.88Å; W43-F69 HydrophobicContact CB-CE1 3.99Å; W43-F69 HydrophobicContact CB-CE2 4.3Å; W43-F69 HydrophobicContact CB-CG 3.48Å; W43-F69 VanDerWaalsContact CB-CG 3.48Å; W43-F69 HydrophobicContact CB-CZ 4.35Å; W43-F69 AromaticContact CD1-CD1 3.91Å; W43-F69 AromaticContact CD2-CD1 3.86Å; W43-F69 HydrophobicContact CD2-CD1 3.86Å; W43-F69 AromaticContact CD2-CE1 3.43Å; W43-F69 HydrophobicContact CD2-CE1 3.43Å; W43-F69 VanDerWaalsContact CD2-CE1 3.43Å; W43-F69 AromaticContact CD2-CZ 3.82Å; W43-F69 HydrophobicContact CD2-CZ 3.82Å; W43-F69 HydrophobicContact CE3-CD1 4.31Å; W43-F69 AromaticContact CE3-CE1 3.55Å; W43-F69 HydrophobicContact CE3-CE1 3.55Å; W43-F69 HydrophobicContact CE3-CE2 4.08Å; W43-F69 AromaticContact CE3-CZ 3.41Å; W43-F69 HydrophobicContact CE3-CZ 3.41Å; W43-F69 VanDerWaalsContact CE3-CZ 3.41Å; W43-F69 AromaticContact CG-CD1 3.49Å; W43-F69 HydrophobicContact CG-CD1 3.49Å; W43-F69 VanDerWaalsContact CG-CD1 3.49Å; W43-F69 AromaticContact CG-CE1 3.63Å; W43-F69 HydrophobicContact CG-CE1 3.63Å; W43-F69 HydrophobicContact CG-CG 4Å; W43-F69 HydrophobicContact CG-CZ 4.23Å; W43-F69 HydrophobicContact CZ3-CE1 4.24Å; W43-F69 HydrophobicContact CZ3-CZ 4.01Å
44N98Very high94.8Very high77 Ų7759.6 Ų59.641%0.41232%0.324SS..THydrogen-bonded Turntrans-92.43.2175.2-73.8-57.3000113.9I40 K41 M42 F69I40-N44 PolarHBondContact O-N 3.05Å; I40-N44 VanDerWaalsContact O-N 3.11Å; I40-N44 PolarHBondContact O-ND2 3.34Å; K41-N44 CarbonylContact O-C 3.49Å; K41-N44 PolarHBondContact O-N 3.27Å; K41-N44 VanDerWaalsContact O-N 3.14Å; M42-N44 PolarHBondContact O-N 3.12Å; M42-N44 VanDerWaalsContact O-N 3.16Å; N44-F69 PolarHBondContact ND2-O 3.49Å
45S96.7Very high94.7Very high43 Ų4358.4 Ų58.430%0.30132%0.318SS..SBendtrans-108.3-179179.582.50000112.1K41 M42 T47 R63K41-S45 WeakPolarHBondContact O-CB 3.22Å; K41-S45 PolarHBondContact O-N 2.8Å; K41-S45 VanDerWaalsContact O-N 3.13Å; M42-S45 WeakPolarHBondContact O-CB 3.09Å; M42-S45 PolarHBondContact O-N 2.67Å; M42-S45 PolarHBondContact O-OG 3.33Å; S45-T47 PolarHBondContact O-N 2.81Å; S45-T47 PolarHBondContact OG-N 2.9Å; S45-T47 VanDerWaalsContact OG-N 3.07Å; S45-T47 PolarHBondContact OG-O 2.55Å; S45-R63 PolarHBondContact O-NH1 3.43Å; S45-R63 PolarHBondContact O-NH2 3.01Å
46D94Very high94.8Very high116 Ų11655.5 Ų55.562%0.6230%0.298SS*.SBendtrans-79.7-4.8172.5-67.4-39.6000113.8R63D46-R63 IonicContact OD1-NH2 3.81Å
47T92.9Very high94.8Very high97 Ų9760.2 Ų60.260%0.59532%0.315SS*.SBendtrans-117.3101.1177.6-53.80000109.5M42 S45M42-T47 CarbonylContact C-O 3.52Å; M42-T47 WeakPolarHBondContact CB-O 3.44Å; M42-T47 HydrophobicContact CE-CG2 4.3Å; S45-T47 PolarHBondContact O-N 2.81Å; S45-T47 PolarHBondContact OG-N 2.9Å; S45-T47 VanDerWaalsContact OG-N 3.07Å; S45-T47 PolarHBondContact OG-O 2.55Å
48L95.4Very high94.9Very high12 Ų1257 Ų576%0.06330%0.298CS..  trans-66.5152.5178.9-58.2-172.5000111.7W43 I50 L55 D56 V59W43-L48 HydrophobicContact CE3-CD2 3.78Å; W43-L48 HydrophobicContact CZ3-CD1 3.99Å; W43-L48 HydrophobicContact CZ3-CD2 4.09Å; W43-L48 HydrophobicContact CZ3-CG 4.43Å; L48-I50 WeakPolarHBondContact CB-O 3.44Å; L48-I50 PolarHBondContact O-N 3.47Å; L48-L55 HydrophobicContact CD1-CD2 4.19Å; L48-L55 HydrophobicContact CD1-CG 3.99Å; L48-D56 HydrophobicContact CD1-CB 4.42Å; L48-V59 HydrophobicContact CD1-CB 4.27Å; L48-V59 HydrophobicContact CD1-CG2 3.99Å; L48-V59 HydrophobicContact CD2-CB 4.42Å; L48-V59 HydrophobicContact CD2-CG1 3.93Å
49P92.8Very high95Very high22 Ų2250.1 Ų50.114%0.14327%0.266CS..SBendtrans-74.4-6.9177.430.6-33.4000113.5Q39 M42 W43 Y357Q39-P49 HydrophobicContact CG-CB 3.85Å; Q39-P49 HydrophobicContact CG-CG 3.82Å; M42-P49 HydrophobicContact CB-CB 3.92Å; M42-P49 HydrophobicContact CB-CG 4.17Å; M42-P49 HydrophobicContact CE-CB 4.23Å; M42-P49 HydrophobicContact SD-CB 3.89Å; W43-P49 HydrophobicContact CD2-CG 3.78Å; W43-P49 HydrophobicContact CG-CG 3.85Å; W43-P49 HydrophobicContact CZ2-CG 3.88Å; P49-Y357 PolarHBondContact O-OH 3.04Å
50I90.8Very high95.1Very high10 Ų1053 Ų535%0.05128%0.278CS..SBendtrans-131153.7173.662.2153000109.9Y12 W43 L48 L55Y12-I50 HydrophobicContact CD2-CB 3.9Å; Y12-I50 HydrophobicContact CD2-CD1 3.68Å; Y12-I50 HydrophobicContact CD2-CG1 4.43Å; Y12-I50 HydrophobicContact CD2-CG2 3.89Å; Y12-I50 HydrophobicContact CE2-CB 4.39Å; Y12-I50 HydrophobicContact CE2-CD1 3.96Å; Y12-I50 HydrophobicContact CG-CD1 4.09Å; Y12-I50 HydrophobicContact CG-CG2 4.49Å; W43-I50 HydrophobicContact CH2-CD1 3.97Å; W43-I50 HydrophobicContact CH2-CG1 3.69Å; W43-I50 HydrophobicContact CZ2-CD1 4.32Å; W43-I50 HydrophobicContact CZ2-CG1 3.9Å; L48-I50 WeakPolarHBondContact CB-O 3.44Å; L48-I50 PolarHBondContact O-N 3.47Å; I50-L55 HydrophobicContact CD1-CD2 3.34Å; I50-L55 HydrophobicContact CG1-CD2 3.75Å
51Y86.5Confident95Very high96 Ų9656.8 Ų56.838%0.37630%0.298SS..  trans-109.1126.2173.1173.2-99.1000107.6P53Y51-P53 HydrophobicContact CE1-CG 4.44Å
52E91.5Very high95Very high8 Ų850.6 Ų50.64%0.03727%0.271CS..  trans-153.3126.9174.2175.255-15400107.9Y12 G54 L55 G179 T180 A181 V182Y12-E52 PolarHBondContact OH-OE2 3.37Å; E52-G54 PolarHBondContact O-N 3.5Å; E52-L55 HydrophobicContact CB-CB 3.89Å; E52-L55 HydrophobicContact CB-CD2 4Å; E52-L55 HydrophobicContact CG-CB 4.24Å; E52-L55 WeakPolarHBondContact O-CB 3.35Å; E52-L55 PolarHBondContact O-N 2.86Å; E52-G179 VanDerWaalsContact OE2-CA 3.28Å; E52-G179 WeakPolarHBondContact OE2-CA 3.39Å; E52-G179 PolarHBondContact OE2-N 3.39Å; E52-T180 WeakPolarHBondContact OE1-CA 3.21Å; E52-T180 PolarHBondContact OE1-N 2.9Å; E52-A181 HydrophobicContact CG-CB 4.15Å; E52-A181 PolarHBondContact OE1-N 2.77Å; E52-V182 HydrophobicContact CG-CB 4.19Å; E52-V182 HydrophobicContact CG-CG2 3.56Å; E52-V182 PolarHBondContact OE1-N 3.02Å; E52-V182 VanDerWaalsContact OE1-N 3.13Å
53P89.6Confident95.1Very high56 Ų5650.2 Ų50.236%0.36427%0.266SS..THydrogen-bonded Turntrans-50.8126.3178.6-30.137.2000112.8Y51 L55 V182Y51-P53 HydrophobicContact CE1-CG 4.44Å; P53-L55 VanDerWaalsContact C-N 3.28Å; P53-L55 PolarHBondContact O-N 3.29Å; P53-V182 WeakPolarHBondContact O-CB 3.5Å
54G94Very high95Very high35 Ų3553 Ų5336%0.36130%0.295SS..THydrogen-bonded Turntrans80.8-10.5179.200000115.9E52 I58E52-G54 PolarHBondContact O-N 3.5Å; G54-I58 PolarHBondContact O-N 3.2Å
55L96Very high95Very high0 Ų055.8 Ų55.80%030%0.304CS..Hα-helixtrans-67.6-40.6-177.5-178.162.3000112.6W43 L48 I50 E52 P53 E57 I58 V59 V182W43-L55 HydrophobicContact CH2-CD2 4.03Å; W43-L55 HydrophobicContact CZ3-CD2 4.33Å; L48-L55 HydrophobicContact CD1-CD2 4.19Å; L48-L55 HydrophobicContact CD1-CG 3.99Å; I50-L55 HydrophobicContact CD1-CD2 3.34Å; I50-L55 HydrophobicContact CG1-CD2 3.75Å; E52-L55 HydrophobicContact CB-CB 3.89Å; E52-L55 HydrophobicContact CB-CD2 4Å; E52-L55 HydrophobicContact CG-CB 4.24Å; E52-L55 WeakPolarHBondContact O-CB 3.35Å; E52-L55 PolarHBondContact O-N 2.86Å; P53-L55 VanDerWaalsContact C-N 3.28Å; P53-L55 PolarHBondContact O-N 3.29Å; L55-E57 VanDerWaalsContact C-N 3.28Å; L55-E57 PolarHBondContact O-N 3.13Å; L55-I58 PolarHBondContact O-N 2.62Å; L55-V59 HydrophobicContact CD1-CG2 3.94Å; L55-V59 HydrophobicContact CG-CG2 4.07Å; L55-V59 WeakPolarHBondContact O-CG2 3.29Å; L55-V59 PolarHBondContact O-N 3.3Å; L55-V182 HydrophobicContact CB-CG2 3.79Å; L55-V182 HydrophobicContact CD1-CG2 4.16Å
56D96.2Very high95.1Very high51 Ų5154.1 Ų54.127%0.27329%0.292SS..Hα-helixtrans-54.8-44.2179.9-116.7-81.9000112.2L48 K60L48-D56 HydrophobicContact CD1-CB 4.42Å; D56-K60 VanDerWaalsContact O-CB 3.3Å; D56-K60 WeakPolarHBondContact O-CB 3.43Å; D56-K60 WeakPolarHBondContact O-CD 3.38Å; D56-K60 VanDerWaalsContact O-CG 3.27Å; D56-K60 WeakPolarHBondContact O-CG 3.42Å; D56-K60 PolarHBondContact O-N 3.48Å; D56-K60 WeakPolarHBondContact OD1-CE 3.39Å; D56-K60 IonicContact OD1-NZ 2.74Å; D56-K60 PolarHBondContact OD1-NZ 3.23Å
57E96.8Very high95.4Very high149 Ų14948.6 Ų48.670%0.69626%0.262SS*.Hα-helixtrans-64.6-45.1179.8-62-179.9170.200111.2L55 L61L55-E57 VanDerWaalsContact C-N 3.28Å; L55-E57 PolarHBondContact O-N 3.13Å; E57-L61 WeakPolarHBondContact O-CB 3.28Å; E57-L61 PolarHBondContact O-N 3.36Å
58I97.8Very high95.6Very high20 Ų2046.8 Ų46.810%0.10325%0.247CC..Hα-helixtrans-64.8-47179.5-64.7175.9000110.7I20 H23 G54 L55 L61 H62 V182I20-I58 HydrophobicContact CD1-CD1 3.34Å; I20-I58 HydrophobicContact CD1-CG2 4.28Å; H23-I58 HydrophobicContact CB-CG2 3.91Å; G54-I58 PolarHBondContact O-N 3.2Å; L55-I58 PolarHBondContact O-N 2.62Å; I58-L61 PolarHBondContact O-N 2.89Å; I58-H62 PolarHBondContact O-N 2.69Å; I58-H62 PolarHBondContact O-ND1 3.39Å; I58-V182 HydrophobicContact CD1-CG1 3.85Å
59V98.4Very high95.8Very high0 Ų046.8 Ų46.80%025%0.246CC..Hα-helixtrans-61.9-48.9179.8173.30000110.2W43 L48 L55 L61 H62 R63 L67 F69W43-V59 HydrophobicContact CE3-CG1 4.46Å; W43-V59 HydrophobicContact CE3-CG2 4.41Å; W43-V59 HydrophobicContact CZ3-CG2 3.88Å; L48-V59 HydrophobicContact CD1-CB 4.27Å; L48-V59 HydrophobicContact CD1-CG2 3.99Å; L48-V59 HydrophobicContact CD2-CB 4.42Å; L48-V59 HydrophobicContact CD2-CG1 3.93Å; L55-V59 HydrophobicContact CD1-CG2 3.94Å; L55-V59 HydrophobicContact CG-CG2 4.07Å; L55-V59 WeakPolarHBondContact O-CG2 3.29Å; L55-V59 PolarHBondContact O-N 3.3Å; V59-L61 PolarHBondContact O-N 2.64Å; V59-H62 PolarHBondContact O-N 2.74Å; V59-R63 HydrophobicContact CG1-CB 4.37Å; V59-R63 WeakPolarHBondContact O-CB 3.37Å; V59-R63 PolarHBondContact O-N 2.88Å; V59-L67 HydrophobicContact CG1-CD2 4.48Å; V59-F69 HydrophobicContact CG1-CE2 4.01Å; V59-F69 HydrophobicContact CG1-CZ 4.43Å
60K97.2Very high96Very high101 Ų10147.6 Ų47.644%0.43925%0.252SS..Hα-helixtrans-58.6-34.8178.5-77.8168.9172.7146.80112.6D56D56-K60 VanDerWaalsContact O-CB 3.3Å; D56-K60 WeakPolarHBondContact O-CB 3.43Å; D56-K60 WeakPolarHBondContact O-CD 3.38Å; D56-K60 VanDerWaalsContact O-CG 3.27Å; D56-K60 WeakPolarHBondContact O-CG 3.42Å; D56-K60 PolarHBondContact O-N 3.48Å; D56-K60 WeakPolarHBondContact OD1-CE 3.39Å; D56-K60 IonicContact OD1-NZ 2.74Å; D56-K60 PolarHBondContact OD1-NZ 3.23Å
61L97.4Very high96.4Very high89 Ų8949.8 Ų49.847%0.46627%0.269SS..Hα-helixtrans-71.1-33.7-178.7-175.858.7000113.6E57 I58 V59 K65E57-L61 WeakPolarHBondContact O-CB 3.28Å; E57-L61 PolarHBondContact O-N 3.36Å; I58-L61 PolarHBondContact O-N 2.89Å; V59-L61 PolarHBondContact O-N 2.64Å; L61-K65 WeakPolarHBondContact O-CD 3.21Å; L61-K65 WeakPolarHBondContact O-CE 3.46Å; L61-K65 PolarHBondContact O-NZ 2.63Å
62H98.4Very high96.9Very high18 Ų1849 Ų498%0.08327%0.271CS..Hα-helixtrans-110.3-21.5-171.4-56.585000114.2A22 H23 I58 V59 G64 K65 N66 L67A22-H62 HydrophobicContact CB-CB 4.47Å; H23-H62 WeakPolarHBondContact CA-NE2 3.14Å; H23-H62 AromaticContact CE1-CE1 3.94Å; H23-H62 AromaticContact CG-CE1 3.64Å; H23-H62 AromaticContact CG-NE2 3.98Å; H23-H62 AromaticContact ND1-CE1 2.95Å; H23-H62 PolarHBondContact ND1-CE1 3.22Å; H23-H62 AromaticContact ND1-NE2 3.16Å; H23-H62 PolarHBondContact ND1-NE2 2.81Å; H23-H62 VanDerWaalsContact ND1-NE2 3.16Å; I58-H62 PolarHBondContact O-N 2.69Å; I58-H62 PolarHBondContact O-ND1 3.39Å; V59-H62 PolarHBondContact O-N 2.74Å; H62-G64 PolarHBondContact O-N 2.86Å; H62-K65 WeakPolarHBondContact O-CB 3.24Å; H62-K65 PolarHBondContact O-N 3.5Å; H62-N66 PolarHBondContact O-N 2.78Å; H62-L67 HydrophobicContact CB-CB 3.83Å; H62-L67 HydrophobicContact CB-CD2 4.37Å; H62-L67 PolarHBondContact O-N 2.96Å
63R98.1Very high97.2Very high54 Ų5449.1 Ų49.120%0.20427%0.271CS..BIsolated β-bridgetrans-57.8127.8-179.2-177173.568.1-155.72.4110.9W43 S45 D46 V59 K65 L67 F69W43-R63 VanDerWaalsContact O-CD 3.27Å; W43-R63 WeakPolarHBondContact O-CD 3.36Å; W43-R63 PolarHBondContact O-NH1 2.99Å; S45-R63 PolarHBondContact O-NH1 3.43Å; S45-R63 PolarHBondContact O-NH2 3.01Å; D46-R63 IonicContact OD1-NH2 3.81Å; V59-R63 HydrophobicContact CG1-CB 4.37Å; V59-R63 WeakPolarHBondContact O-CB 3.37Å; V59-R63 PolarHBondContact O-N 2.88Å; R63-K65 VanDerWaalsContact C-N 3.26Å; R63-K65 PolarHBondContact O-N 3.45Å; R63-L67 CarbonylContact C-O 3.51Å; R63-L67 VanDerWaalsContact CA-O 3.3Å; R63-L67 WeakPolarHBondContact CA-O 3.42Å; R63-F69 HydrophobicContact CG-CD2 4.42Å
64G97.3Very high97.6Very high60 Ų6049.5 Ų49.562%0.61927%0.27SS*.THydrogen-bonded Turntrans79.6-1.1-177.100000114.9H62 L67H62-G64 PolarHBondContact O-N 2.86Å; G64-L67 PolarHBondContact N-O 3.02Å
65K98.2Very high97.8Very high135 Ų13553.8 Ų53.859%0.58728%0.279SS*.THydrogen-bonded Turntrans-101.1-72.2172-60.4177.4-174.2162.80110.3L61 H62 R63L61-K65 WeakPolarHBondContact O-CD 3.21Å; L61-K65 WeakPolarHBondContact O-CE 3.46Å; L61-K65 PolarHBondContact O-NZ 2.63Å; H62-K65 WeakPolarHBondContact O-CB 3.24Å; H62-K65 PolarHBondContact O-N 3.5Å; R63-K65 VanDerWaalsContact C-N 3.26Å; R63-K65 PolarHBondContact O-N 3.45Å
66N98.5Very high97.9Very high8 Ų854.1 Ų54.14%0.04328%0.282CS..THydrogen-bonded Turntrans-128.3-5.2176.774.1-49.5000112.6A22 C25 P26 I28 V30 H62A22-N66 PolarHBondContact O-ND2 3.19Å; C25-N66 PolarHBondContact O-ND2 3Å; P26-N66 WeakPolarHBondContact CA-ND2 3.28Å; I28-N66 WeakPolarHBondContact O-CB 3.22Å; I28-N66 PolarHBondContact O-ND2 2.83Å; V30-N66 PolarHBondContact N-O 3.38Å; H62-N66 PolarHBondContact O-N 2.78Å
67L98.8Very high97.9Very high0 Ų051.7 Ų51.70%027%0.269CS..EExtended strand (participates in β ladder)trans-106.4127169.7178.863.8000110A22 V30 V32 V59 H62 R63 G64 F69A22-L67 HydrophobicContact CB-CB 3.77Å; A22-L67 HydrophobicContact CB-CD1 4.1Å; A22-L67 HydrophobicContact CB-CG 4.38Å; V30-L67 HydrophobicContact CB-CD1 4.39Å; V30-L67 HydrophobicContact CG1-CD1 4.05Å; V30-L67 CarbonylContact O-C 3.55Å; V30-L67 WeakPolarHBondContact O-CA 3.01Å; V32-L67 HydrophobicContact CG2-CD1 4.22Å; V59-L67 HydrophobicContact CG1-CD2 4.48Å; H62-L67 HydrophobicContact CB-CB 3.83Å; H62-L67 HydrophobicContact CB-CD2 4.37Å; H62-L67 PolarHBondContact O-N 2.96Å; R63-L67 CarbonylContact C-O 3.51Å; R63-L67 VanDerWaalsContact CA-O 3.3Å; R63-L67 WeakPolarHBondContact CA-O 3.42Å; G64-L67 PolarHBondContact N-O 3.02Å; L67-F69 HydrophobicContact CD1-CE2 4.21Å; L67-F69 HydrophobicContact CD1-CZ 4.08Å; L67-F69 HydrophobicContact CD2-CE2 3.7Å; L67-F69 HydrophobicContact CD2-CZ 3.89Å; L67-F69 HydrophobicContact CG-CD2 4.48Å; L67-F69 HydrophobicContact CG-CE2 3.72Å; L67-F69 HydrophobicContact CG-CZ 4.04Å
68H98.7Very high97.9Very high59 Ų5946.1 Ų46.127%0.27324%0.244SC..EExtended strand (participates in β ladder)trans-132.3140-178.2-53.2-77.7000110.6Q29 V30 T31 V32Q29-H68 PolarHBondContact OE1-NE2 3.23Å; V30-H68 PolarHBondContact O-N 2.87Å; T31-H68 CarbonylContact C-O 3.48Å; T31-H68 WeakPolarHBondContact CA-O 3.42Å; T31-H68 HydrophobicContact CG2-CB 4.33Å; V32-H68 PolarHBondContact N-O 3.05Å
69F98.6Very high97.8Very high12 Ų1248.4 Ų48.45%0.05326%0.256CS..EExtended strand (participates in β ladder)trans-117.9125.2173.8-62.7-88.2000109.4V32 I40 W43 N44 V59 R63 L67V32-F69 HydrophobicContact CB-CD1 3.67Å; V32-F69 HydrophobicContact CB-CE1 3.8Å; V32-F69 HydrophobicContact CG1-CD1 4.16Å; V32-F69 HydrophobicContact CG1-CE1 4.18Å; V32-F69 HydrophobicContact CG2-CD1 4.28Å; V32-F69 HydrophobicContact CG2-CE1 3.95Å; V32-F69 VanDerWaalsContact O-CA 3.32Å; V32-F69 WeakPolarHBondContact O-CA 3.48Å; I40-F69 HydrophobicContact CD1-CB 4.39Å; I40-F69 HydrophobicContact CG2-CB 4.46Å; W43-F69 HydrophobicContact CB-CB 3.85Å; W43-F69 HydrophobicContact CB-CD1 3.53Å; W43-F69 HydrophobicContact CB-CD2 3.88Å; W43-F69 HydrophobicContact CB-CE1 3.99Å; W43-F69 HydrophobicContact CB-CE2 4.3Å; W43-F69 HydrophobicContact CB-CG 3.48Å; W43-F69 VanDerWaalsContact CB-CG 3.48Å; W43-F69 HydrophobicContact CB-CZ 4.35Å; W43-F69 AromaticContact CD1-CD1 3.91Å; W43-F69 AromaticContact CD2-CD1 3.86Å; W43-F69 HydrophobicContact CD2-CD1 3.86Å; W43-F69 AromaticContact CD2-CE1 3.43Å; W43-F69 HydrophobicContact CD2-CE1 3.43Å; W43-F69 VanDerWaalsContact CD2-CE1 3.43Å; W43-F69 AromaticContact CD2-CZ 3.82Å; W43-F69 HydrophobicContact CD2-CZ 3.82Å; W43-F69 HydrophobicContact CE3-CD1 4.31Å; W43-F69 AromaticContact CE3-CE1 3.55Å; W43-F69 HydrophobicContact CE3-CE1 3.55Å; W43-F69 HydrophobicContact CE3-CE2 4.08Å; W43-F69 AromaticContact CE3-CZ 3.41Å; W43-F69 HydrophobicContact CE3-CZ 3.41Å; W43-F69 VanDerWaalsContact CE3-CZ 3.41Å; W43-F69 AromaticContact CG-CD1 3.49Å; W43-F69 HydrophobicContact CG-CD1 3.49Å; W43-F69 VanDerWaalsContact CG-CD1 3.49Å; W43-F69 AromaticContact CG-CE1 3.63Å; W43-F69 HydrophobicContact CG-CE1 3.63Å; W43-F69 HydrophobicContact CG-CG 4Å; W43-F69 HydrophobicContact CG-CZ 4.23Å; W43-F69 HydrophobicContact CZ3-CE1 4.24Å; W43-F69 HydrophobicContact CZ3-CZ 4.01Å; N44-F69 PolarHBondContact ND2-O 3.49Å; V59-F69 HydrophobicContact CG1-CE2 4.01Å; V59-F69 HydrophobicContact CG1-CZ 4.43Å; R63-F69 HydrophobicContact CG-CD2 4.42Å; L67-F69 HydrophobicContact CD1-CE2 4.21Å; L67-F69 HydrophobicContact CD1-CZ 4.08Å; L67-F69 HydrophobicContact CD2-CE2 3.7Å; L67-F69 HydrophobicContact CD2-CZ 3.89Å; L67-F69 HydrophobicContact CG-CD2 4.48Å; L67-F69 HydrophobicContact CG-CE2 3.72Å; L67-F69 HydrophobicContact CG-CZ 4.04Å
70S98.2Very high97.7Very high39 Ų3948.5 Ų48.527%0.27326%0.257SS..EExtended strand (participates in β ladder)trans-145.3152.3-171.7-177.20000112.7V32 V33 D34 D72V32-S70 PolarHBondContact O-N 2.79Å; V33-S70 WeakPolarHBondContact CA-O 3.46Å; V33-S70 VanDerWaalsContact CB-O 3.28Å; V33-S70 WeakPolarHBondContact CB-O 3.38Å; V33-S70 WeakPolarHBondContact CG1-O 3.49Å; D34-S70 PolarHBondContact N-O 2.8Å; S70-D72 PolarHBondContact OG-N 2.89Å
71S97.6Very high97.7Very high56 Ų5644.8 Ų44.839%0.39224%0.241SC..SBendtrans-96.2-2.416654.30000113.3D37 I73D37-S71 WeakPolarHBondContact OD1-CB 3.48Å; D37-S71 PolarHBondContact OD1-OG 2.9Å; S71-I73 PolarHBondContact O-N 3.27Å
72D97.7Very high97.7Very high78 Ų7840.5 Ų40.542%0.41722%0.219SC..  trans-78.573.6171-170.6-4.7000111.1S70 D74 K75 A76S70-D72 PolarHBondContact OG-N 2.89Å; D72-D74 PolarHBondContact O-N 2.94Å; D72-K75 HydrophobicContact CB-CB 4.4Å; D72-K75 VanDerWaalsContact OD1-CB 3.26Å; D72-K75 WeakPolarHBondContact OD1-CB 3.27Å; D72-K75 PolarHBondContact OD1-N 3.28Å; D72-K75 VanDerWaalsContact OD1-N 3.16Å; D72-K75 WeakPolarHBondContact OD2-CB 3.38Å; D72-K75 WeakPolarHBondContact OD2-CD 3.22Å; D72-A76 PolarHBondContact O-N 3.02Å
73I98Very high97.7Very high11 Ų1139.7 Ų39.76%0.05622%0.215CC..Hα-helixtrans-64.4-39.4-176.2-65.2158.8000111.5L8 V33 T35 S71 A76 I77 R113L8-I73 HydrophobicContact CD2-CG2 3.9Å; V33-I73 HydrophobicContact CB-CB 4.48Å; V33-I73 HydrophobicContact CB-CG1 3.76Å; V33-I73 HydrophobicContact CG2-CB 4.17Å; V33-I73 HydrophobicContact CG2-CG1 3.74Å; V33-I73 HydrophobicContact CG2-CG2 4.12Å; T35-I73 HydrophobicContact CG2-CD1 3.62Å; S71-I73 PolarHBondContact O-N 3.27Å; I73-A76 PolarHBondContact O-N 2.65Å; I73-I77 HydrophobicContact CG2-CD1 3.62Å; I73-I77 HydrophobicContact CG2-CG1 4.22Å; I73-I77 WeakPolarHBondContact O-CB 3.22Å; I73-I77 VanDerWaalsContact O-CG1 3.27Å; I73-I77 WeakPolarHBondContact O-CG1 3.31Å; I73-I77 PolarHBondContact O-N 3.43Å; I73-R113 VanDerWaalsContact CG2-CZ 3.5Å
74D97.9Very high97.7Very high64 Ų6437.1 Ų37.134%0.34221%0.205SC..Hα-helixtrans-68.1-44.5-174.8-73.79.3000110.6D72 A76 I77 D78 R113 V117D72-D74 PolarHBondContact O-N 2.94Å; D74-A76 PolarHBondContact O-N 2.75Å; D74-I77 PolarHBondContact O-N 3.39Å; D74-D78 PolarHBondContact O-N 3.25Å; D74-R113 IonicContact OD1-CZ 3.71Å; D74-R113 IonicContact OD1-NE 2.79Å; D74-R113 PolarHBondContact OD1-NE 3.05Å; D74-R113 IonicContact OD1-NH2 3.76Å; D74-R113 PolarHBondContact OD1-NH2 3.49Å; D74-V117 HydrophobicContact CB-CG1 4Å; D74-V117 HydrophobicContact CB-CG2 3.97Å; D74-V117 VanDerWaalsContact CG-CG2 3.46Å; D74-V117 WeakPolarHBondContact O-CG1 3.29Å; D74-V117 WeakPolarHBondContact OD1-CG2 3.41Å
75K97.7Very high97.8Very high126 Ų12634.3 Ų34.355%0.54818%0.176SC..Hα-helixtrans-59.8-47174.8-176.9179.9177.5-177.30111.7D72 I77 D78 D79D72-K75 HydrophobicContact CB-CB 4.4Å; D72-K75 VanDerWaalsContact OD1-CB 3.26Å; D72-K75 WeakPolarHBondContact OD1-CB 3.27Å; D72-K75 PolarHBondContact OD1-N 3.28Å; D72-K75 VanDerWaalsContact OD1-N 3.16Å; D72-K75 WeakPolarHBondContact OD2-CB 3.38Å; D72-K75 WeakPolarHBondContact OD2-CD 3.22Å; K75-I77 VanDerWaalsContact C-N 3.32Å; K75-I77 PolarHBondContact O-N 2.98Å; K75-D78 PolarHBondContact O-N 3.44Å; K75-D79 WeakPolarHBondContact O-CB 3.31Å; K75-D79 PolarHBondContact O-N 2.61Å
76A98Very high97.8Very high7 Ų728.3 Ų28.36%0.05815%0.152CC..Hα-helixtrans-62.2-39-179.800000112.5C6 T31 V33 D72 I73 D74 A80C6-A76 HydrophobicContact CB-CB 4.48Å; T31-A76 HydrophobicContact CG2-CB 3.83Å; V33-A76 HydrophobicContact CG1-CB 3.52Å; D72-A76 PolarHBondContact O-N 3.02Å; I73-A76 PolarHBondContact O-N 2.65Å; D74-A76 PolarHBondContact O-N 2.75Å; A76-A80 VanDerWaalsContact O-CB 3.31Å; A76-A80 WeakPolarHBondContact O-CB 3.48Å; A76-A80 PolarHBondContact O-N 2.93Å
77I97.4Very high97.7Very high0 Ų029.2 Ų29.20%016%0.157CC..Hα-helixtrans-62.9-50.1173.2-72.6170.1000110.4L8 I73 D74 K75 D79 A80 I83 R113 I114 V117 K122L8-I77 HydrophobicContact CD1-CD1 4.14Å; L8-I77 HydrophobicContact CD1-CG1 4.48Å; L8-I77 HydrophobicContact CD2-CD1 4.03Å; L8-I77 HydrophobicContact CD2-CG1 3.86Å; I73-I77 HydrophobicContact CG2-CD1 3.62Å; I73-I77 HydrophobicContact CG2-CG1 4.22Å; I73-I77 WeakPolarHBondContact O-CB 3.22Å; I73-I77 VanDerWaalsContact O-CG1 3.27Å; I73-I77 WeakPolarHBondContact O-CG1 3.31Å; I73-I77 PolarHBondContact O-N 3.43Å; D74-I77 PolarHBondContact O-N 3.39Å; K75-I77 VanDerWaalsContact C-N 3.32Å; K75-I77 PolarHBondContact O-N 2.98Å; I77-D79 VanDerWaalsContact C-N 3.34Å; I77-D79 PolarHBondContact O-N 3.18Å; I77-A80 PolarHBondContact O-N 2.96Å; I77-I83 HydrophobicContact CB-CD1 4.23Å; I77-I83 HydrophobicContact CG1-CD1 4.27Å; I77-I83 HydrophobicContact CG2-CD1 3.81Å; I77-R113 HydrophobicContact CD1-CB 4.45Å; I77-R113 HydrophobicContact CD1-CG 3.91Å; I77-I114 HydrophobicContact CD1-CG1 4.13Å; I77-I114 HydrophobicContact CG1-CG1 4.39Å; I77-I114 HydrophobicContact CG2-CG1 4.44Å; I77-V117 HydrophobicContact CB-CB 4.32Å; I77-V117 HydrophobicContact CB-CG1 3.91Å; I77-V117 HydrophobicContact CG2-CB 3.77Å; I77-V117 HydrophobicContact CG2-CG1 3.72Å; I77-K122 WeakPolarHBondContact O-CE 3.42Å; I77-K122 PolarHBondContact O-NZ 2.83Å
78D95.4Very high97.4Very high31 Ų3134.1 Ų34.117%0.16618%0.184CC..Hα-helixtrans-63.4-41-175.9-168.746.9000112.1D74 K75 V117 R119 K122D74-D78 PolarHBondContact O-N 3.25Å; K75-D78 PolarHBondContact O-N 3.44Å; D78-V117 HydrophobicContact CB-CG1 4.05Å; D78-R119 VanDerWaalsContact OD1-CD 3.26Å; D78-R119 WeakPolarHBondContact OD1-CD 3.42Å; D78-R119 VanDerWaalsContact OD1-CG 3.22Å; D78-R119 WeakPolarHBondContact OD1-CG 3.33Å; D78-R119 PolarHBondContact OD1-N 3.33Å; D78-R119 IonicContact OD1-NE 3.72Å; D78-R119 WeakPolarHBondContact OD2-CD 3.35Å; D78-R119 IonicContact OD2-CZ 3.03Å; D78-R119 IonicContact OD2-NE 3.28Å; D78-R119 PolarHBondContact OD2-NE 3.22Å; D78-R119 IonicContact OD2-NH1 2.7Å; D78-R119 PolarHBondContact OD2-NH1 2.82Å; D78-R119 IonicContact OD2-NH2 3.8Å; D78-K122 PolarHBondContact O-NZ 2.86Å
79D95.8Very high97.2Very high68 Ų6831.6 Ų31.636%0.36417%0.172SC..Hα-helixtrans-68-33.2-179.7-92-45.2000114K4 K75 I77K4-D79 HydrophobicContact CD-CB 4.14Å; K4-D79 WeakPolarHBondContact CD-O 3.18Å; K4-D79 IonicContact NZ-OD1 2.82Å; K4-D79 PolarHBondContact NZ-OD1 3.32Å; K75-D79 WeakPolarHBondContact O-CB 3.31Å; K75-D79 PolarHBondContact O-N 2.61Å; I77-D79 VanDerWaalsContact C-N 3.34Å; I77-D79 PolarHBondContact O-N 3.18Å
80A97.2Very high97.1Very high2 Ų233.4 Ų33.42%0.01719%0.185CC..  trans-77.1146.2-169.700000114.4C6 A76 I77 I83 K122C6-A80 HydrophobicContact CB-CB 3.47Å; C6-A80 VanDerWaalsContact CB-CB 3.47Å; A76-A80 VanDerWaalsContact O-CB 3.31Å; A76-A80 WeakPolarHBondContact O-CB 3.48Å; A76-A80 PolarHBondContact O-N 2.93Å; I77-A80 PolarHBondContact O-N 2.96Å; A80-I83 HydrophobicContact CB-CG1 3.95Å; A80-K122 WeakPolarHBondContact O-CD 3.46Å; A80-K122 PolarHBondContact O-NZ 2.8Å
81E95.9Very high97Very high23 Ų2332.9 Ų32.911%0.10718%0.18CC..SBendtrans-90.4-31.3170.8-67.9166.498.400111.1L2 S3 K4 V123L2-E81 HydrophobicContact CD1-CB 3.43Å; L2-E81 VanDerWaalsContact CD1-CB 3.43Å; L2-E81 HydrophobicContact CD1-CG 4.44Å; S3-E81 WeakPolarHBondContact CA-OE2 3.04Å; S3-E81 PolarHBondContact N-OE2 2.96Å; S3-E81 PolarHBondContact OG-OE2 2.72Å; K4-E81 PolarHBondContact N-OE2 3.01Å; K4-E81 VanDerWaalsContact N-OE2 3.16Å; K4-E81 PolarHBondContact O-N 2.79Å; E81-V123 PolarHBondContact O-N 3.2Å; E81-V123 VanDerWaalsContact O-N 3.11Å
82M98.2Very high96.9Very high0 Ų032 Ų320%017%0.17CC..EExtended strand (participates in β ladder)trans-127.8133.6176-177.8-179.9-70.100110.5L2 V5 C6 F84 V123 V125 M208 L209 I212L2-M82 HydrophobicContact CD1-CB 3.88Å; L2-M82 HydrophobicContact CD2-CB 4.27Å; L2-M82 HydrophobicContact CD2-CE 4.14Å; L2-M82 HydrophobicContact CD2-SD 4.24Å; V5-M82 WeakPolarHBondContact CA-O 3.4Å; V5-M82 HydrophobicContact CG2-CB 4.35Å; C6-M82 PolarHBondContact N-O 3.19Å; M82-F84 HydrophobicContact CG-CD2 4.47Å; M82-F84 HydrophobicContact CG-CE2 4.06Å; M82-F84 HydrophobicContact SD-CE2 3.71Å; M82-F84 HydrophobicContact SD-CZ 3.99Å; M82-V123 CarbonylContact C-O 3.37Å; M82-V123 VanDerWaalsContact CA-O 3.26Å; M82-V123 WeakPolarHBondContact CA-O 3.41Å; M82-V123 HydrophobicContact CB-CB 4.4Å; M82-V123 HydrophobicContact CE-CB 4.28Å; M82-V123 HydrophobicContact CE-CG1 3.97Å; M82-V123 HydrophobicContact CG-CB 4.23Å; M82-V123 HydrophobicContact CG-CG1 4.25Å; M82-V125 HydrophobicContact CG-CG2 3.73Å; M82-V125 HydrophobicContact SD-CG2 3.79Å; M82-M208 HydrophobicContact CE-CB 3.82Å; M82-L209 HydrophobicContact CE-CB 3.88Å; M82-L209 HydrophobicContact CE-CD1 4.41Å; M82-L209 HydrophobicContact SD-CB 4.43Å; M82-L209 HydrophobicContact SD-CD1 3.86Å; M82-I212 HydrophobicContact CE-CD1 4.21Å; M82-I212 HydrophobicContact SD-CD1 3.57Å; M82-I212 VanDerWaalsContact SD-CD1 3.57Å
83I98.6Very high96.7Very high0 Ų033.5 Ų33.50%018%0.177CC..EExtended strand (participates in β ladder)trans-123.9115.9-177.5-56.1179.1000109.4C6 L8 I77 A80 I114 K122 V123 I124 V125C6-I83 HydrophobicContact CB-CG1 4.33Å; C6-I83 CarbonylContact O-C 3.57Å; C6-I83 VanDerWaalsContact O-CA 3.31Å; C6-I83 WeakPolarHBondContact O-CA 3.32Å; L8-I83 HydrophobicContact CD1-CG2 4.23Å; L8-I83 HydrophobicContact CG-CG2 3.92Å; I77-I83 HydrophobicContact CB-CD1 4.23Å; I77-I83 HydrophobicContact CG1-CD1 4.27Å; I77-I83 HydrophobicContact CG2-CD1 3.81Å; A80-I83 HydrophobicContact CB-CG1 3.95Å; I83-I114 HydrophobicContact CD1-CG1 4.1Å; I83-I114 HydrophobicContact CD1-CG2 4.07Å; I83-I114 HydrophobicContact CG2-CD1 3.88Å; I83-I114 HydrophobicContact CG2-CG1 4.31Å; I83-K122 HydrophobicContact CD1-CD 3.47Å; I83-K122 VanDerWaalsContact CD1-CD 3.47Å; I83-K122 HydrophobicContact CG1-CD 4.17Å; I83-V123 PolarHBondContact N-O 2.83Å; I83-I124 CarbonylContact O-C 3.53Å; I83-I124 WeakPolarHBondContact O-CA 3.34Å; I83-V125 PolarHBondContact O-N 3.06Å
84F98.7Very high96.6Very high0 Ų039.3 Ų39.30%020%0.199CC..EExtended strand (participates in β ladder)trans-80.5136.4168.8-69.5-103.5000110V5 C6 C7 L8 L18 I21 M82 V125 K127 L209V5-F84 HydrophobicContact CG1-CD2 3.6Å; V5-F84 HydrophobicContact CG1-CE2 3.57Å; C6-F84 PolarHBondContact O-N 3.25Å; C7-F84 CarbonylContact C-O 3.46Å; C7-F84 WeakPolarHBondContact CA-O 3.35Å; C7-F84 HydrophobicContact CB-CB 4.03Å; L8-F84 PolarHBondContact N-O 3.5Å; L18-F84 HydrophobicContact CD1-CD2 4.05Å; L18-F84 HydrophobicContact CD1-CE2 4.34Å; L18-F84 HydrophobicContact CD1-CG 4.48Å; L18-F84 HydrophobicContact CD2-CB 4.42Å; L18-F84 HydrophobicContact CD2-CG 4.46Å; I21-F84 HydrophobicContact CD1-CE1 4.47Å; I21-F84 HydrophobicContact CD1-CE2 4.39Å; I21-F84 HydrophobicContact CD1-CZ 3.97Å; M82-F84 HydrophobicContact CG-CD2 4.47Å; M82-F84 HydrophobicContact CG-CE2 4.06Å; M82-F84 HydrophobicContact SD-CE2 3.71Å; M82-F84 HydrophobicContact SD-CZ 3.99Å; F84-V125 CarbonylContact C-O 3.56Å; F84-V125 VanDerWaalsContact CA-O 3.29Å; F84-V125 WeakPolarHBondContact CA-O 3.29Å; F84-V125 HydrophobicContact CD1-CB 3.76Å; F84-V125 HydrophobicContact CD1-CG1 3.61Å; F84-V125 HydrophobicContact CE1-CB 3.95Å; F84-V125 HydrophobicContact CE1-CG1 3.55Å; F84-V125 HydrophobicContact CE1-CG2 4.36Å; F84-V125 HydrophobicContact CG-CB 4.08Å; F84-V125 HydrophobicContact CG-CG1 4.43Å; F84-V125 HydrophobicContact CZ-CB 4.41Å; F84-V125 HydrophobicContact CZ-CG1 4.32Å; F84-V125 HydrophobicContact CZ-CG2 4.36Å; F84-K127 HydrophobicContact CD1-CB 4.38Å; F84-L209 HydrophobicContact CE1-CD1 4.05Å; F84-L209 HydrophobicContact CZ-CD1 3.57Å
85I98.6Very high96.5Very high1 Ų139 Ų391%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-107.9108.5168.9-57.1177000107.4V87 L107 A110 I114 I124 V125 K127 S128I85-V87 HydrophobicContact CG2-CB 4.5Å; I85-V87 HydrophobicContact CG2-CG1 4.12Å; I85-V87 HydrophobicContact CG2-CG2 3.8Å; I85-L107 HydrophobicContact CD1-CD1 4.38Å; I85-L107 HydrophobicContact CG2-CD1 3.86Å; I85-A110 HydrophobicContact CD1-CB 4.24Å; I85-A110 HydrophobicContact CG1-CB 4.47Å; I85-A110 HydrophobicContact CG2-CB 3.98Å; I85-I114 HydrophobicContact CD1-CD1 3.73Å; I85-I114 HydrophobicContact CG1-CD1 3.98Å; I85-I124 HydrophobicContact CD1-CG2 3.57Å; I85-I124 HydrophobicContact CG1-CG2 4.05Å; I85-V125 PolarHBondContact N-O 2.99Å; I85-K127 WeakPolarHBondContact O-CB 3.38Å; I85-K127 PolarHBondContact O-N 3.27Å; I85-S128 PolarHBondContact O-N 3.43Å; I85-S128 VanDerWaalsContact O-N 3.15Å; I85-S128 PolarHBondContact O-OG 3.03Å
86S97.8Very high96.3Very high10 Ų1039.8 Ų39.87%0.0722%0.22CC..  trans-123.944.4-178.3-53.50000110.7C7 L8 K127C7-S86 PolarHBondContact SG-OG 3.37Å; L8-S86 CarbonylContact O-C 3.57Å; L8-S86 WeakPolarHBondContact O-CA 3.32Å; L8-S86 PolarHBondContact O-N 3.12Å; S86-K127 WeakPolarHBondContact OG-CB 3.47Å
87V96.6Very high96.2Very high26 Ų2639.8 Ų39.816%0.15822%0.221CC..  trans-85.1158.5-179.6-59.80000111.5I85 N106 S128I85-V87 HydrophobicContact CG2-CB 4.5Å; I85-V87 HydrophobicContact CG2-CG1 4.12Å; I85-V87 HydrophobicContact CG2-CG2 3.8Å; V87-N106 HydrophobicContact CB-CB 4.02Å; V87-N106 HydrophobicContact CG2-CB 3.87Å; V87-S128 PolarHBondContact N-OG 2.92Å; V87-S128 PolarHBondContact O-OG 3.46Å
88N93Very high96.1Very high104 Ų10446.5 Ų46.556%0.55625%0.25SC*.  trans-69.1138175.366.7-32.5000111.5P90 N106N88-P90 VanDerWaalsContact C-CD 3.48Å; N88-P90 WeakPolarHBondContact O-CD 3.45Å; N88-N106 PolarHBondContact OD1-ND2 3.46Å
89T95.1Very high96.1Very high6 Ų646.5 Ų46.54%0.03726%0.257CS..  trans-12665.6177.750.30000109T102 T129 V130 K293T89-T102 HydrophobicContact CG2-CG2 4.42Å; T89-T129 WeakPolarHBondContact CB-O 3.44Å; T89-T129 PolarHBondContact OG1-O 2.88Å; T89-V130 HydrophobicContact CG2-CG1 4.11Å; T89-K293 WeakPolarHBondContact O-CD 3.29Å
90P95Very high96.1Very high49 Ų4947 Ų4732%0.31825%0.254SS..PPolyproline II helixtrans-65.9168.9-173.230.4-35.5000111.6N88 K92 D103N88-P90 VanDerWaalsContact C-CD 3.48Å; N88-P90 WeakPolarHBondContact O-CD 3.45Å; P90-K92 PolarHBondContact O-N 3.47Å; P90-D103 HydrophobicContact CG-CB 4.14Å; P90-D103 WeakPolarHBondContact O-CB 3.42Å; P90-D103 PolarHBondContact O-N 2.69Å
91T95.9Very high96.1Very high29 Ų2947.2 Ų47.218%0.17826%0.256CS..BIsolated β-bridgetrans-66.5131.5167.1-60.50000109.8G99 K293T91-G99 WeakPolarHBondContact CG2-O 3.43Å; T91-K293 VanDerWaalsContact OG1-CG 3.32Å; T91-K293 WeakPolarHBondContact OG1-CG 3.48Å
92K95.4Very high96.2Very high38 Ų3846.9 Ų46.917%0.16526%0.256CS..PPolyproline II helixtrans-65.5132178.9-170.1-173.3-175.4-132.40110.9P90 W94 L96 K98 G99 A101 D103P90-K92 PolarHBondContact O-N 3.47Å; K92-W94 WeakPolarHBondContact CD-O 3.48Å; K92-W94 WeakPolarHBondContact CE-O 3.08Å; K92-W94 HydrophobicContact CG-CD2 3.9Å; K92-W94 HydrophobicContact CG-CE3 4.36Å; K92-W94 HydrophobicContact CG-CG 4.26Å; K92-W94 HydrophobicContact CG-CZ2 4.1Å; K92-W94 PolarHBondContact NZ-O 3.4Å; K92-L96 PolarHBondContact NZ-O 2.86Å; K92-K98 CarbonylContact O-C 3.53Å; K92-K98 WeakPolarHBondContact O-CA 3.24Å; K92-G99 PolarHBondContact O-N 2.89Å; K92-A101 HydrophobicContact CB-CB 4.43Å; K92-A101 VanDerWaalsContact CB-O 3.28Å; K92-A101 WeakPolarHBondContact CB-O 3.39Å; K92-A101 HydrophobicContact CD-CB 4.47Å; K92-A101 PolarHBondContact N-O 3.18Å; K92-D103 HydrophobicContact CB-CB 4.36Å
93N94Very high96.1Very high108 Ų10847.9 Ų47.958%0.57826%0.261SS*.  trans-10612.5-178.3-71.2-24.6000114.5K98N93-K98 WeakPolarHBondContact O-CD 3.44Å; N93-K98 VanDerWaalsContact O-CE 3.26Å; N93-K98 WeakPolarHBondContact O-CE 3.35Å
94W95.5Very high96Very high133 Ų13349.5 Ų49.550%0.50427%0.269SS..SBendtrans-143.7163.8-175.857.398.2000113K92 D103K92-W94 WeakPolarHBondContact CD-O 3.48Å; K92-W94 WeakPolarHBondContact CE-O 3.08Å; K92-W94 HydrophobicContact CG-CD2 3.9Å; K92-W94 HydrophobicContact CG-CE3 4.36Å; K92-W94 HydrophobicContact CG-CG 4.26Å; K92-W94 HydrophobicContact CG-CZ2 4.1Å; K92-W94 PolarHBondContact NZ-O 3.4Å; W94-D103 HydrophobicContact CH2-CB 4.38Å; W94-D103 WeakPolarHBondContact CH2-OD2 3.42Å
95G95.9Very high95.8Very high58 Ų5853.3 Ų53.360%0.59829%0.293SS*.SBendtrans53.9-155.5171.300000115.8G97 K98G95-G97 PolarHBondContact O-N 3.22Å; G95-K98 WeakPolarHBondContact O-CB 3.43Å; G95-K98 PolarHBondContact O-N 3.45Å; G95-K98 VanDerWaalsContact O-N 3.11Å
96L94.4Very high95.7Very high143 Ų14356 Ų5675%0.74931%0.308SS*.THydrogen-bonded Turntrans-60.1130176.9-175.466.2000111.1K92K92-L96 PolarHBondContact NZ-O 2.86Å
97G95.3Very high95.7Very high7 Ų755.7 Ų55.77%0.07231%0.305CS..THydrogen-bonded Turntrans79.113-176.400000114.8G95 G99 R100 A101 Y300G95-G97 PolarHBondContact O-N 3.22Å; G97-G99 PolarHBondContact O-N 2.85Å; G97-R100 PolarHBondContact O-N 3.36Å; G97-A101 WeakPolarHBondContact O-CB 3.44Å; G97-A101 PolarHBondContact O-N 3.07Å; G97-Y300 VanDerWaalsContact CA-CE2 3.45Å
98K96.3Very high95.7Very high140 Ų14057.8 Ų57.861%0.60931%0.313SS*.THydrogen-bonded Turntrans-47.9133173.3173.8173.8179.6-176.90111.8K92 N93 G95 R100K92-K98 CarbonylContact O-C 3.53Å; K92-K98 WeakPolarHBondContact O-CA 3.24Å; N93-K98 WeakPolarHBondContact O-CD 3.44Å; N93-K98 VanDerWaalsContact O-CE 3.26Å; N93-K98 WeakPolarHBondContact O-CE 3.35Å; G95-K98 WeakPolarHBondContact O-CB 3.43Å; G95-K98 PolarHBondContact O-N 3.45Å; G95-K98 VanDerWaalsContact O-N 3.11Å; K98-R100 PolarHBondContact O-N 2.99Å
99G95.3Very high95.9Very high31 Ų3155.3 Ų55.332%0.3231%0.307SS..THydrogen-bonded Turntrans73.14.9-18000000114.3T91 K92 G97 L296T91-G99 WeakPolarHBondContact CG2-O 3.43Å; K92-G99 PolarHBondContact O-N 2.89Å; G97-G99 PolarHBondContact O-N 2.85Å; G99-L296 WeakPolarHBondContact O-CD1 3.45Å
100R96.3Very high96Very high78 Ų7855.5 Ų55.529%0.29431%0.309SS..THydrogen-bonded Turntrans-140.7-49.8-171.3-52.2-175.8-60.915112.6114.2G97 K98 L296 S297 M299 Y300 E303G97-R100 PolarHBondContact O-N 3.36Å; K98-R100 PolarHBondContact O-N 2.99Å; R100-L296 HydrophobicContact CG-CD2 4.37Å; R100-L296 CarbonylContact O-C 3.52Å; R100-L296 VanDerWaalsContact O-C 3.26Å; R100-S297 WeakPolarHBondContact O-CA 3.44Å; R100-S297 PolarHBondContact O-N 3.21Å; R100-M299 HydrophobicContact CB-CE 4.13Å; R100-M299 VanDerWaalsContact CD-CE 3.43Å; R100-M299 HydrophobicContact CG-CE 3.82Å; R100-Y300 HydrophobicContact CB-CD2 4.45Å; R100-E303 IonicContact CZ-OE1 3.91Å; R100-E303 IonicContact CZ-OE2 2.69Å; R100-E303 IonicContact NH1-OE1 3.71Å; R100-E303 PolarHBondContact NH1-OE1 3.21Å; R100-E303 IonicContact NH1-OE2 2.87Å; R100-E303 PolarHBondContact NH1-OE2 3.04Å; R100-E303 IonicContact NH2-OE2 3.45Å; R100-E303 PolarHBondContact NH2-OE2 2.8Å
101A96.7Very high96Very high7 Ų753.1 Ų53.16%0.05829%0.294CS..SBendtrans-68.9149.9179.300000111.7K92 G97 Y300K92-A101 HydrophobicContact CB-CB 4.43Å; K92-A101 VanDerWaalsContact CB-O 3.28Å; K92-A101 WeakPolarHBondContact CB-O 3.39Å; K92-A101 HydrophobicContact CD-CB 4.47Å; K92-A101 PolarHBondContact N-O 3.18Å; G97-A101 WeakPolarHBondContact O-CB 3.44Å; G97-A101 PolarHBondContact O-N 3.07Å; A101-Y300 HydrophobicContact CB-CD1 3.54Å; A101-Y300 HydrophobicContact CB-CD2 4.45Å; A101-Y300 HydrophobicContact CB-CE1 3.51Å; A101-Y300 HydrophobicContact CB-CE2 4.42Å; A101-Y300 HydrophobicContact CB-CG 4.02Å
102T96.9Very high96Very high17 Ų1757 Ų5710%0.10431%0.305CS..BIsolated β-bridgetrans-72.4133.5169.7-56.60000110.4T89 L104 S297T89-T102 HydrophobicContact CG2-CG2 4.42Å; T102-L104 HydrophobicContact CG2-CD2 3.78Å; T102-S297 WeakPolarHBondContact OG1-CB 3.35Å; T102-S297 PolarHBondContact OG1-OG 3.05Å
103D96.5Very high96Very high20 Ų2059.3 Ų59.311%0.10731%0.313CS..PPolyproline II helixtrans-78.4116.3167.9-179.613.3000110.2P90 K92 W94 T105P90-D103 HydrophobicContact CG-CB 4.14Å; P90-D103 WeakPolarHBondContact O-CB 3.42Å; P90-D103 PolarHBondContact O-N 2.69Å; K92-D103 HydrophobicContact CB-CB 4.36Å; W94-D103 HydrophobicContact CH2-CB 4.38Å; W94-D103 WeakPolarHBondContact CH2-OD2 3.42Å; D103-T105 VanDerWaalsContact OD1-CB 3.23Å; D103-T105 WeakPolarHBondContact OD1-CB 3.41Å; D103-T105 PolarHBondContact OD1-N 2.88Å; D103-T105 PolarHBondContact OD1-OG1 3.08Å
104L95.8Very high96.1Very high34 Ų3454.2 Ų54.218%0.17829%0.285CS..  trans-99.46.6-179-57.6179.7000113.1T102 N106 L107 E108 V130 P131T102-L104 HydrophobicContact CG2-CD2 3.78Å; L104-N106 VanDerWaalsContact C-N 3.28Å; L104-N106 PolarHBondContact O-N 2.95Å; L104-L107 HydrophobicContact CD2-CD2 4.04Å; L104-L107 WeakPolarHBondContact O-CB 3.31Å; L104-L107 PolarHBondContact O-N 3.1Å; L104-L107 VanDerWaalsContact O-N 3.08Å; L104-E108 PolarHBondContact O-N 3.32Å; L104-V130 HydrophobicContact CD2-CG1 4.49Å; L104-P131 HydrophobicContact CD1-CG 4.18Å; L104-P131 HydrophobicContact CD2-CG 4.19Å
105T96.3Very high96Very high80 Ų8047.9 Ų47.949%0.49126%0.262SS..Hα-helixtrans-51.3-47.1-177-59.70000112D103 A109D103-T105 VanDerWaalsContact OD1-CB 3.23Å; D103-T105 WeakPolarHBondContact OD1-CB 3.41Å; D103-T105 PolarHBondContact OD1-N 2.88Å; D103-T105 PolarHBondContact OD1-OG1 3.08Å; T105-A109 VanDerWaalsContact O-CB 3.3Å; T105-A109 WeakPolarHBondContact O-CB 3.31Å; T105-A109 PolarHBondContact O-N 3.37Å
106N96.7Very high95.8Very high59 Ų5951.9 Ų51.932%0.31626%0.262SS..Hα-helixtrans-73.8-33.1-178.1-65.4-31.7000112.9V87 N88 L104 A110V87-N106 HydrophobicContact CB-CB 4.02Å; V87-N106 HydrophobicContact CG2-CB 3.87Å; N88-N106 PolarHBondContact OD1-ND2 3.46Å; L104-N106 VanDerWaalsContact C-N 3.28Å; L104-N106 PolarHBondContact O-N 2.95Å; N106-A110 VanDerWaalsContact O-CB 3.29Å; N106-A110 WeakPolarHBondContact O-CB 3.45Å; N106-A110 PolarHBondContact O-N 3.07Å
107L97Very high95.7Very high3 Ų346.1 Ų46.12%0.01623%0.233CC..Hα-helixtrans-64.2-47.9173.9179.569.8000110.5I85 L104 A110 A111 E126 V130 A134I85-L107 HydrophobicContact CD1-CD1 4.38Å; I85-L107 HydrophobicContact CG2-CD1 3.86Å; L104-L107 HydrophobicContact CD2-CD2 4.04Å; L104-L107 WeakPolarHBondContact O-CB 3.31Å; L104-L107 PolarHBondContact O-N 3.1Å; L104-L107 VanDerWaalsContact O-N 3.08Å; L107-A110 PolarHBondContact O-N 3.16Å; L107-A111 WeakPolarHBondContact O-CB 3.19Å; L107-A111 PolarHBondContact O-N 2.89Å; L107-E126 HydrophobicContact CD1-CG 4.38Å; L107-V130 HydrophobicContact CD2-CG1 3.86Å; L107-A134 HydrophobicContact CD2-CB 4.04Å
108E96.6Very high95.5Very high69 Ų6945.9 Ų45.932%0.32223%0.23SC..Hα-helixtrans-64-43.2177.1-72.7-165.2-152.200111.9L104 A110 A111 R112 I141L104-E108 PolarHBondContact O-N 3.32Å; E108-A110 VanDerWaalsContact C-N 3.31Å; E108-A110 PolarHBondContact O-N 3.1Å; E108-A111 PolarHBondContact O-N 3.5Å; E108-R112 WeakPolarHBondContact O-CB 3.21Å; E108-R112 VanDerWaalsContact O-CG 3.3Å; E108-R112 WeakPolarHBondContact O-CG 3.28Å; E108-R112 PolarHBondContact O-N 3.08Å; E108-R112 IonicContact OE2-NH2 2.71Å; E108-I141 HydrophobicContact CB-CD1 4.08Å; E108-I141 HydrophobicContact CG-CD1 3.82Å
109A96.4Very high95.2Very high53 Ų5347.6 Ų47.644%0.43823%0.233SC..Hα-helixtrans-60.1-42.7176.800000111.5T105 R113T105-A109 VanDerWaalsContact O-CB 3.3Å; T105-A109 WeakPolarHBondContact O-CB 3.31Å; T105-A109 PolarHBondContact O-N 3.37Å; A109-R113 VanDerWaalsContact O-CB 3.3Å; A109-R113 WeakPolarHBondContact O-CB 3.3Å; A109-R113 PolarHBondContact O-N 2.83Å
110A97.2Very high94.8Very high9 Ų949 Ų497%0.07423%0.231CC..Hα-helixtrans-61.3-49.617400000111.5L8 I85 N106 L107 E108 R112 R113 I114L8-A110 HydrophobicContact CD1-CB 3.88Å; I85-A110 HydrophobicContact CD1-CB 4.24Å; I85-A110 HydrophobicContact CG1-CB 4.47Å; I85-A110 HydrophobicContact CG2-CB 3.98Å; N106-A110 VanDerWaalsContact O-CB 3.29Å; N106-A110 WeakPolarHBondContact O-CB 3.45Å; N106-A110 PolarHBondContact O-N 3.07Å; L107-A110 PolarHBondContact O-N 3.16Å; E108-A110 VanDerWaalsContact C-N 3.31Å; E108-A110 PolarHBondContact O-N 3.1Å; A110-R112 PolarHBondContact O-N 3.24Å; A110-R113 PolarHBondContact O-N 3.25Å; A110-I114 VanDerWaalsContact O-CG1 3.28Å; A110-I114 WeakPolarHBondContact O-CG1 3.47Å; A110-I114 PolarHBondContact O-N 2.87Å
111A96.6Very high94.5Very high0 Ų045.4 Ų45.40%022%0.218CC..Hα-helixtrans-58.3-45.6178.400000112.4L107 E108 I114 A115 T138 I141L107-A111 WeakPolarHBondContact O-CB 3.19Å; L107-A111 PolarHBondContact O-N 2.89Å; E108-A111 PolarHBondContact O-N 3.5Å; A111-I114 PolarHBondContact O-N 3.4Å; A111-A115 PolarHBondContact O-N 2.82Å; A111-T138 HydrophobicContact CB-CG2 3.93Å; A111-I141 HydrophobicContact CB-CB 4.3Å; A111-I141 HydrophobicContact CB-CD1 4.29Å; A111-I141 HydrophobicContact CB-CG2 3.94Å
112R95.4Very high94.4Very high111 Ų11145.1 Ų45.142%0.41922%0.216SC..Hα-helixtrans-64.3-41.8176.9-71178.5-169.4-73.7-3111.8E108 A110 A115 K116 I141 E145E108-R112 WeakPolarHBondContact O-CB 3.21Å; E108-R112 VanDerWaalsContact O-CG 3.3Å; E108-R112 WeakPolarHBondContact O-CG 3.28Å; E108-R112 PolarHBondContact O-N 3.08Å; E108-R112 IonicContact OE2-NH2 2.71Å; A110-R112 PolarHBondContact O-N 3.24Å; R112-A115 PolarHBondContact O-N 2.88Å; R112-K116 VanDerWaalsContact O-CB 3.25Å; R112-K116 WeakPolarHBondContact O-CB 3.22Å; R112-K116 PolarHBondContact O-N 3.09Å; R112-I141 HydrophobicContact CB-CG2 4.34Å; R112-I141 HydrophobicContact CG-CG2 3.52Å; R112-E145 IonicContact NH1-OE1 2.71Å
113R95.6Very high94.4Very high86 Ų8644.3 Ų44.333%0.32521%0.211SC..Hα-helixtrans-65.2-42.5177.8-168172.2-172.9164.61.9111.4I73 D74 I77 A109 A110 A115 K116 V117I73-R113 VanDerWaalsContact CG2-CZ 3.5Å; D74-R113 IonicContact OD1-CZ 3.71Å; D74-R113 IonicContact OD1-NE 2.79Å; D74-R113 PolarHBondContact OD1-NE 3.05Å; D74-R113 IonicContact OD1-NH2 3.76Å; D74-R113 PolarHBondContact OD1-NH2 3.49Å; I77-R113 HydrophobicContact CD1-CB 4.45Å; I77-R113 HydrophobicContact CD1-CG 3.91Å; A109-R113 VanDerWaalsContact O-CB 3.3Å; A109-R113 WeakPolarHBondContact O-CB 3.3Å; A109-R113 PolarHBondContact O-N 2.83Å; A110-R113 PolarHBondContact O-N 3.25Å; R113-A115 PolarHBondContact O-N 3.36Å; R113-K116 PolarHBondContact O-N 3.29Å; R113-V117 HydrophobicContact CG-CG2 4.24Å; R113-V117 WeakPolarHBondContact O-CB 3.41Å; R113-V117 VanDerWaalsContact O-CG2 3.28Å; R113-V117 WeakPolarHBondContact O-CG2 3.23Å; R113-V117 PolarHBondContact O-N 3.08Å
114I95.8Very high94.4Very high0 Ų043.3 Ų43.30%021%0.206CC..Hα-helixtrans-56.8-51.3173.7-69.4162000110.3L8 I77 I83 I85 A110 A111 K116 V117 S118 I124 L142 F167L8-I114 HydrophobicContact CD1-CD1 3.71Å; L8-I114 HydrophobicContact CD1-CG1 3.78Å; I77-I114 HydrophobicContact CD1-CG1 4.13Å; I77-I114 HydrophobicContact CG1-CG1 4.39Å; I77-I114 HydrophobicContact CG2-CG1 4.44Å; I83-I114 HydrophobicContact CD1-CG1 4.1Å; I83-I114 HydrophobicContact CD1-CG2 4.07Å; I83-I114 HydrophobicContact CG2-CD1 3.88Å; I83-I114 HydrophobicContact CG2-CG1 4.31Å; I85-I114 HydrophobicContact CD1-CD1 3.73Å; I85-I114 HydrophobicContact CG1-CD1 3.98Å; A110-I114 VanDerWaalsContact O-CG1 3.28Å; A110-I114 WeakPolarHBondContact O-CG1 3.47Å; A110-I114 PolarHBondContact O-N 2.87Å; A111-I114 PolarHBondContact O-N 3.4Å; I114-K116 VanDerWaalsContact C-N 3.29Å; I114-K116 PolarHBondContact O-N 3.34Å; I114-V117 PolarHBondContact O-N 3.45Å; I114-S118 WeakPolarHBondContact O-CB 3.34Å; I114-S118 PolarHBondContact O-N 3.32Å; I114-S118 PolarHBondContact O-OG 2.98Å; I114-I124 HydrophobicContact CD1-CG1 4.24Å; I114-I124 HydrophobicContact CG2-CD1 4.31Å; I114-I124 HydrophobicContact CG2-CG1 4.19Å; I114-L142 HydrophobicContact CB-CD2 4.12Å; I114-L142 HydrophobicContact CG2-CD2 3.71Å; I114-F167 HydrophobicContact CG2-CE1 4.47Å
115A92.6Very high94.6Very high1 Ų141.7 Ų41.71%0.00820%0.197CC..Hα-helixtrans-62.1-38.217900000112.5A111 R112 R113 L142 E145 R149A111-A115 PolarHBondContact O-N 2.82Å; R112-A115 PolarHBondContact O-N 2.88Å; R113-A115 PolarHBondContact O-N 3.36Å; A115-L142 HydrophobicContact CB-CD2 4.12Å; A115-E145 HydrophobicContact CB-CB 3.37Å; A115-E145 HydrophobicContact CB-CG 4.04Å; A115-R149 PolarHBondContact O-NH1 2.77Å
116K91.6Very high94.7Very high141 Ų14138.1 Ų38.161%0.61318%0.175SC*.Hα-helixtrans-69.1-30.8179.7-176.7-175.3174.1-171.50113.1R112 R113 I114 R149R112-K116 VanDerWaalsContact O-CB 3.25Å; R112-K116 WeakPolarHBondContact O-CB 3.22Å; R112-K116 PolarHBondContact O-N 3.09Å; R113-K116 PolarHBondContact O-N 3.29Å; I114-K116 VanDerWaalsContact C-N 3.29Å; I114-K116 PolarHBondContact O-N 3.34Å; K116-R149 VanDerWaalsContact CA-NH2 3.29Å; K116-R149 PolarHBondContact O-NH1 3.04Å; K116-R149 PolarHBondContact O-NH2 3.3Å
117V92.8Very high94.7Very high23 Ų2335.5 Ų35.514%0.13916%0.16CC..Hα-helixtrans-99.9-35.4-172.2172.10000111.8D74 I77 D78 R113 I114 R119D74-V117 HydrophobicContact CB-CG1 4Å; D74-V117 HydrophobicContact CB-CG2 3.97Å; D74-V117 VanDerWaalsContact CG-CG2 3.46Å; D74-V117 WeakPolarHBondContact O-CG1 3.29Å; D74-V117 WeakPolarHBondContact OD1-CG2 3.41Å; I77-V117 HydrophobicContact CB-CB 4.32Å; I77-V117 HydrophobicContact CB-CG1 3.91Å; I77-V117 HydrophobicContact CG2-CB 3.77Å; I77-V117 HydrophobicContact CG2-CG1 3.72Å; D78-V117 HydrophobicContact CB-CG1 4.05Å; R113-V117 HydrophobicContact CG-CG2 4.24Å; R113-V117 WeakPolarHBondContact O-CB 3.41Å; R113-V117 VanDerWaalsContact O-CG2 3.28Å; R113-V117 WeakPolarHBondContact O-CG2 3.23Å; R113-V117 PolarHBondContact O-N 3.08Å; I114-V117 PolarHBondContact O-N 3.45Å; V117-R119 PolarHBondContact O-N 2.88Å
118S92.3Very high94.6Very high1 Ų135.8 Ų35.81%0.00716%0.163CC..  trans-61.7126.5-173.9-61.10000112.7I114 K122I114-S118 WeakPolarHBondContact O-CB 3.34Å; I114-S118 PolarHBondContact O-N 3.32Å; I114-S118 PolarHBondContact O-OG 2.98Å; S118-K122 VanDerWaalsContact CB-CE 3.46Å; S118-K122 WeakPolarHBondContact OG-CD 3.33Å; S118-K122 WeakPolarHBondContact OG-CE 3.33Å
119R88Confident94.5Very high177 Ų17732.9 Ų32.967%0.66815%0.15SC*.SBendtrans-84.6-17.6172.1-66.2169.8-175.5162-4113.9D78 V117D78-R119 VanDerWaalsContact OD1-CD 3.26Å; D78-R119 WeakPolarHBondContact OD1-CD 3.42Å; D78-R119 VanDerWaalsContact OD1-CG 3.22Å; D78-R119 WeakPolarHBondContact OD1-CG 3.33Å; D78-R119 PolarHBondContact OD1-N 3.33Å; D78-R119 IonicContact OD1-NE 3.72Å; D78-R119 WeakPolarHBondContact OD2-CD 3.35Å; D78-R119 IonicContact OD2-CZ 3.03Å; D78-R119 IonicContact OD2-NE 3.28Å; D78-R119 PolarHBondContact OD2-NE 3.22Å; D78-R119 IonicContact OD2-NH1 2.7Å; D78-R119 PolarHBondContact OD2-NH1 2.82Å; D78-R119 IonicContact OD2-NH2 3.8Å; V117-R119 PolarHBondContact O-N 2.88Å
120Q87.8Confident94.5Very high59 Ų5930.6 Ų30.628%0.27613%0.13SC..SBendtrans-141.8160.4-178.664.9-17215.100110.6L155 I157Q120-L155 HydrophobicContact CB-CB 4.44Å; Q120-L155 HydrophobicContact CB-CD2 4.06Å; Q120-I157 HydrophobicContact CG-CD1 4.28Å; Q120-I157 HydrophobicContact CG-CG1 4.34Å
121P90Very high94.5Very high4 Ų431.1 Ų31.13%0.02613%0.133CC..  trans-56.5147172.5-24.634.8000112.9I157 L164 E166P121-I157 WeakPolarHBondContact O-CD1 3.3Å; P121-L164 HydrophobicContact CB-CD2 4.19Å; P121-L164 HydrophobicContact CB-CG 4.24Å; P121-E166 VanDerWaalsContact CB-C 3.47Å; P121-E166 WeakPolarHBondContact CB-O 3.49Å
122K94.1Very high94.4Very high0 Ų033 Ų330%014%0.144CC..  trans-136.9160.5-177.2-59.1-179.1-172.2-92.40111I77 D78 A80 I83 S118 I124 F167 V168I77-K122 WeakPolarHBondContact O-CE 3.42Å; I77-K122 PolarHBondContact O-NZ 2.83Å; D78-K122 PolarHBondContact O-NZ 2.86Å; A80-K122 WeakPolarHBondContact O-CD 3.46Å; A80-K122 PolarHBondContact O-NZ 2.8Å; I83-K122 HydrophobicContact CD1-CD 3.47Å; I83-K122 VanDerWaalsContact CD1-CD 3.47Å; I83-K122 HydrophobicContact CG1-CD 4.17Å; S118-K122 VanDerWaalsContact CB-CE 3.46Å; S118-K122 WeakPolarHBondContact OG-CD 3.33Å; S118-K122 WeakPolarHBondContact OG-CE 3.33Å; K122-I124 HydrophobicContact CB-CD1 4.15Å; K122-I124 WeakPolarHBondContact O-CD1 3.5Å; K122-F167 HydrophobicContact CB-CD1 4.13Å; K122-F167 HydrophobicContact CB-CE1 4.05Å; K122-F167 HydrophobicContact CG-CE1 4.14Å; K122-F167 VanDerWaalsContact N-CD1 3.29Å; K122-F167 WeakPolarHBondContact O-CA 3.39Å; K122-V168 PolarHBondContact O-N 3.3Å
123V96.9Very high94.3Very high0 Ų032.4 Ų32.40%015%0.145CC..EExtended strand (participates in β ladder)trans-87.9118.7166.6-179.60000108.6E81 M82 I83 V125 L164 L170 A205 M208E81-V123 PolarHBondContact O-N 3.2Å; E81-V123 VanDerWaalsContact O-N 3.11Å; M82-V123 CarbonylContact C-O 3.37Å; M82-V123 VanDerWaalsContact CA-O 3.26Å; M82-V123 WeakPolarHBondContact CA-O 3.41Å; M82-V123 HydrophobicContact CB-CB 4.4Å; M82-V123 HydrophobicContact CE-CB 4.28Å; M82-V123 HydrophobicContact CE-CG1 3.97Å; M82-V123 HydrophobicContact CG-CB 4.23Å; M82-V123 HydrophobicContact CG-CG1 4.25Å; I83-V123 PolarHBondContact N-O 2.83Å; V123-V125 HydrophobicContact CG1-CG2 4.15Å; V123-L164 HydrophobicContact CG2-CD2 4.17Å; V123-L170 HydrophobicContact CG1-CD1 3.83Å; V123-L170 HydrophobicContact CG1-CG 4.16Å; V123-A205 HydrophobicContact CB-CB 4.44Å; V123-A205 HydrophobicContact CG1-CB 3.85Å; V123-A205 HydrophobicContact CG2-CB 3.72Å; V123-M208 HydrophobicContact CG2-CE 4.02Å; V123-M208 HydrophobicContact CG2-SD 3.98Å
124I98.1Very high94.3Very high0 Ų028.4 Ų28.40%013%0.13CC..EExtended strand (participates in β ladder)trans-100.1126.9175.5-67.974.8000107.5I83 I85 I114 K122 T138 L142 F167 V168 V169 L170I83-I124 CarbonylContact O-C 3.53Å; I83-I124 WeakPolarHBondContact O-CA 3.34Å; I85-I124 HydrophobicContact CD1-CG2 3.57Å; I85-I124 HydrophobicContact CG1-CG2 4.05Å; I114-I124 HydrophobicContact CD1-CG1 4.24Å; I114-I124 HydrophobicContact CG2-CD1 4.31Å; I114-I124 HydrophobicContact CG2-CG1 4.19Å; K122-I124 HydrophobicContact CB-CD1 4.15Å; K122-I124 WeakPolarHBondContact O-CD1 3.5Å; I124-T138 HydrophobicContact CG2-CG2 4.35Å; I124-L142 HydrophobicContact CB-CD1 4.4Å; I124-L142 HydrophobicContact CD1-CD1 3.79Å; I124-L142 HydrophobicContact CD1-CD2 4.33Å; I124-L142 HydrophobicContact CG1-CD1 3.86Å; I124-L142 HydrophobicContact CG1-CD2 4.5Å; I124-F167 HydrophobicContact CD1-CB 4.27Å; I124-F167 HydrophobicContact CD1-CD1 3.61Å; I124-F167 HydrophobicContact CD1-CE1 4.45Å; I124-F167 HydrophobicContact CD1-CG 4.37Å; I124-V168 PolarHBondContact N-O 3.47Å; I124-V169 HydrophobicContact CB-CG2 4.29Å; I124-V169 HydrophobicContact CG2-CG1 4.49Å; I124-V169 CarbonylContact O-C 3.54Å; I124-V169 WeakPolarHBondContact O-CA 3.44Å; I124-L170 PolarHBondContact O-N 3.42Å
125V98.5Very high94.2Very high0 Ų028.6 Ų28.60%013%0.131CC..EExtended strand (participates in β ladder)trans-112.7106.5179.2-175.50000108.6M82 I83 F84 I85 V123 K127 L170 N172 L209M82-V125 HydrophobicContact CG-CG2 3.73Å; M82-V125 HydrophobicContact SD-CG2 3.79Å; I83-V125 PolarHBondContact O-N 3.06Å; F84-V125 CarbonylContact C-O 3.56Å; F84-V125 VanDerWaalsContact CA-O 3.29Å; F84-V125 WeakPolarHBondContact CA-O 3.29Å; F84-V125 HydrophobicContact CD1-CB 3.76Å; F84-V125 HydrophobicContact CD1-CG1 3.61Å; F84-V125 HydrophobicContact CE1-CB 3.95Å; F84-V125 HydrophobicContact CE1-CG1 3.55Å; F84-V125 HydrophobicContact CE1-CG2 4.36Å; F84-V125 HydrophobicContact CG-CB 4.08Å; F84-V125 HydrophobicContact CG-CG1 4.43Å; F84-V125 HydrophobicContact CZ-CB 4.41Å; F84-V125 HydrophobicContact CZ-CG1 4.32Å; F84-V125 HydrophobicContact CZ-CG2 4.36Å; I85-V125 PolarHBondContact N-O 2.99Å; V123-V125 HydrophobicContact CG1-CG2 4.15Å; V125-K127 PolarHBondContact O-N 2.92Å; V125-L170 HydrophobicContact CG2-CD1 4.47Å; V125-N172 HydrophobicContact CG1-CB 3.41Å; V125-N172 VanDerWaalsContact CG1-CB 3.41Å; V125-L209 HydrophobicContact CG1-CD2 3.84Å; V125-L209 HydrophobicContact CG2-CD1 4.36Å; V125-L209 HydrophobicContact CG2-CD2 4.07Å
126E98Very high94.2Very high4 Ų432.9 Ų32.92%0.01915%0.151CC..EExtended strand (participates in β ladder)trans-72.8111.2173.3-167-71.2125.600108.3L107 S128 V130 L170 N172L107-E126 HydrophobicContact CD1-CG 4.38Å; E126-S128 WeakPolarHBondContact OE1-CA 3.24Å; E126-S128 WeakPolarHBondContact OE1-CB 3.45Å; E126-S128 PolarHBondContact OE1-N 3.16Å; E126-S128 VanDerWaalsContact OE1-N 3.17Å; E126-V130 HydrophobicContact CG-CG1 4.4Å; E126-V130 HydrophobicContact CG-CG2 4.08Å; E126-V130 WeakPolarHBondContact OE1-CG1 3.46Å; E126-V130 WeakPolarHBondContact OE1-CG2 3.46Å; E126-V130 VanDerWaalsContact OE2-CG2 3.26Å; E126-V130 WeakPolarHBondContact OE2-CG2 3.23Å; E126-L170 WeakPolarHBondContact CB-O 3.19Å; E126-L170 PolarHBondContact N-O 2.99Å; E126-N172 PolarHBondContact O-N 3.43Å
127K97.6Very high94.3Very high4 Ų428.9 Ų28.92%0.01714%0.139CC..  trans-110.8-24.6-176.5-170.555.1161.4-171.90112.2V13 F84 I85 S86 V125 N172 P173 E174 Y213V13-K127 HydrophobicContact CG1-CG 3.76Å; F84-K127 HydrophobicContact CD1-CB 4.38Å; I85-K127 WeakPolarHBondContact O-CB 3.38Å; I85-K127 PolarHBondContact O-N 3.27Å; S86-K127 WeakPolarHBondContact OG-CB 3.47Å; V125-K127 PolarHBondContact O-N 2.92Å; K127-N172 WeakPolarHBondContact CD-O 3.2Å; K127-N172 PolarHBondContact NZ-O 2.83Å; K127-N172 VanDerWaalsContact NZ-O 3.09Å; K127-N172 PolarHBondContact NZ-OD1 3.08Å; K127-P173 PolarHBondContact NZ-O 2.83Å; K127-E174 HydrophobicContact CD-CB 4.24Å; K127-Y213 PolarHBondContact NZ-OH 3.1Å
128S95.3Very high94.4Very high9 Ų927.9 Ų27.96%0.06313%0.133CC..SBendtrans-55.7164.7172.9-65.20000111.5I85 V87 E126I85-S128 PolarHBondContact O-N 3.43Å; I85-S128 VanDerWaalsContact O-N 3.15Å; I85-S128 PolarHBondContact O-OG 3.03Å; V87-S128 PolarHBondContact N-OG 2.92Å; V87-S128 PolarHBondContact O-OG 3.46Å; E126-S128 WeakPolarHBondContact OE1-CA 3.24Å; E126-S128 WeakPolarHBondContact OE1-CB 3.45Å; E126-S128 PolarHBondContact OE1-N 3.16Å; E126-S128 VanDerWaalsContact OE1-N 3.17Å
129T94.9Very high94.5Very high9 Ų929.3 Ų29.36%0.05514%0.143CC..  trans-91.8116.6168.7-59.20000108.5T89 K234 L235 D294T89-T129 WeakPolarHBondContact CB-O 3.44Å; T89-T129 PolarHBondContact OG1-O 2.88Å; T129-K234 HydrophobicContact CG2-CG 3.71Å; T129-K234 VanDerWaalsContact OG1-CE 3.27Å; T129-K234 WeakPolarHBondContact OG1-CE 3.21Å; T129-L235 HydrophobicContact CG2-CD2 3.78Å; T129-D294 VanDerWaalsContact CG2-OD1 3.3Å; T129-D294 WeakPolarHBondContact CG2-OD1 3.38Å
130V96.5Very high94.8Very high4 Ų424.8 Ų24.82%0.02414%0.135CC..  trans-129.2156.1-173-65.70000111T89 L104 L107 E126 A134 E231T89-V130 HydrophobicContact CG2-CG1 4.11Å; L104-V130 HydrophobicContact CD2-CG1 4.49Å; L107-V130 HydrophobicContact CD2-CG1 3.86Å; E126-V130 HydrophobicContact CG-CG1 4.4Å; E126-V130 HydrophobicContact CG-CG2 4.08Å; E126-V130 WeakPolarHBondContact OE1-CG1 3.46Å; E126-V130 WeakPolarHBondContact OE1-CG2 3.46Å; E126-V130 VanDerWaalsContact OE2-CG2 3.26Å; E126-V130 WeakPolarHBondContact OE2-CG2 3.23Å; V130-A134 HydrophobicContact CB-CB 3.55Å; V130-A134 HydrophobicContact CG1-CB 4.26Å; V130-A134 HydrophobicContact CG2-CB 3.6Å; V130-E231 HydrophobicContact CG2-CG 4.15Å
131P96.3Very high95Very high21 Ų2122.6 Ų22.614%0.13613%0.125CC..  trans-64153.2170.929.1-35.5000111.2L104 K133 A134 I301L104-P131 HydrophobicContact CD1-CG 4.18Å; L104-P131 HydrophobicContact CD2-CG 4.19Å; P131-K133 PolarHBondContact O-N 3.18Å; P131-A134 HydrophobicContact CG-CB 4.42Å; P131-A134 WeakPolarHBondContact O-CB 3.42Å; P131-A134 PolarHBondContact O-N 3.38Å; P131-A134 VanDerWaalsContact O-N 3.09Å; P131-I301 HydrophobicContact CB-CD1 3.65Å; P131-I301 HydrophobicContact CB-CG1 4.08Å
132V94.8Very high95.1Very high38 Ų3822.4 Ų22.423%0.2312%0.124CC..THydrogen-bonded Turntrans-53.6139.4172.968.40000110.7A134 W228 L232 I301V132-A134 VanDerWaalsContact C-N 3.35Å; V132-W228 HydrophobicContact CG2-CB 3.76Å; V132-W228 HydrophobicContact CG2-CG 4.3Å; V132-L232 HydrophobicContact CG2-CB 4.49Å; V132-I301 HydrophobicContact CG1-CD1 4.4Å; V132-I301 HydrophobicContact CG1-CG2 3.97Å
133K93.7Very high94.8Very high100 Ų10026.5 Ų26.544%0.43514%0.143SC..THydrogen-bonded Turntrans74.96-172.5-50.7-173.7172.2-170.60116P131 A135 E136 T137 W228 E231P131-K133 PolarHBondContact O-N 3.18Å; K133-A135 VanDerWaalsContact C-N 3.26Å; K133-A135 PolarHBondContact O-N 3.34Å; K133-E136 HydrophobicContact CB-CB 4.42Å; K133-E136 VanDerWaalsContact O-CB 3.29Å; K133-E136 WeakPolarHBondContact O-CB 3.27Å; K133-E136 PolarHBondContact O-N 3.07Å; K133-T137 PolarHBondContact O-N 3.19Å; K133-W228 HydrophobicContact CG-CD2 4.25Å; K133-W228 HydrophobicContact CG-CG 4.42Å; K133-W228 HydrophobicContact CG-CZ2 4.37Å; K133-E231 WeakPolarHBondContact CA-OE2 3.39Å; K133-E231 PolarHBondContact N-OE2 3.39Å
134A94.6Very high94.2Very high2 Ų233.7 Ų33.72%0.01717%0.174CC..Hα-helixtrans-61.5-35.517400000112.8L107 V130 P131 V132 E136 T137 T138 E231L107-A134 HydrophobicContact CD2-CB 4.04Å; V130-A134 HydrophobicContact CB-CB 3.55Å; V130-A134 HydrophobicContact CG1-CB 4.26Å; V130-A134 HydrophobicContact CG2-CB 3.6Å; P131-A134 HydrophobicContact CG-CB 4.42Å; P131-A134 WeakPolarHBondContact O-CB 3.42Å; P131-A134 PolarHBondContact O-N 3.38Å; P131-A134 VanDerWaalsContact O-N 3.09Å; V132-A134 VanDerWaalsContact C-N 3.35Å; A134-E136 PolarHBondContact O-N 3.43Å; A134-T137 WeakPolarHBondContact O-CB 3.35Å; A134-T137 PolarHBondContact O-N 3.38Å; A134-T137 VanDerWaalsContact O-N 3.14Å; A134-T138 PolarHBondContact O-N 2.97Å; A134-T138 PolarHBondContact O-OG1 3.22Å; A134-E231 PolarHBondContact N-OE1 3.29Å
135A93.5Very high93.4Very high3 Ų336.3 Ų36.33%0.02519%0.187CC..Hα-helixtrans-62.9-28.7174.100000112.8K133 S139 V169 T227 E231K133-A135 VanDerWaalsContact C-N 3.26Å; K133-A135 PolarHBondContact O-N 3.34Å; A135-S139 VanDerWaalsContact O-CB 3.27Å; A135-S139 WeakPolarHBondContact O-CB 3.48Å; A135-S139 PolarHBondContact O-N 3.43Å; A135-S139 PolarHBondContact O-OG 3.08Å; A135-V169 HydrophobicContact CB-CG1 3.81Å; A135-T227 HydrophobicContact CB-CG2 3.42Å; A135-T227 VanDerWaalsContact CB-CG2 3.42Å; A135-E231 WeakPolarHBondContact CB-OE1 3.49Å; A135-E231 PolarHBondContact N-OE1 2.66Å
136E93.3Very high92.3Very high92 Ų9237.1 Ų37.143%0.4319%0.193SC..Hα-helixtrans-67.9-42.6173-174.9176.4-161.900110.6K133 A134 S139 T140K133-E136 HydrophobicContact CB-CB 4.42Å; K133-E136 VanDerWaalsContact O-CB 3.29Å; K133-E136 WeakPolarHBondContact O-CB 3.27Å; K133-E136 PolarHBondContact O-N 3.07Å; A134-E136 PolarHBondContact O-N 3.43Å; E136-S139 PolarHBondContact O-N 3.27Å; E136-T140 WeakPolarHBondContact O-CB 3.39Å; E136-T140 PolarHBondContact O-N 3.29Å; E136-T140 PolarHBondContact O-OG1 3.48Å
137T93.5Very high91Very high56 Ų5644.9 Ų44.934%0.34423%0.227SC..Hα-helixtrans-60.2-48.8172.8-57.20000111.4K133 A134 S139 T140 I141K133-T137 PolarHBondContact O-N 3.19Å; A134-T137 WeakPolarHBondContact O-CB 3.35Å; A134-T137 PolarHBondContact O-N 3.38Å; A134-T137 VanDerWaalsContact O-N 3.14Å; T137-S139 VanDerWaalsContact C-N 3.34Å; T137-S139 PolarHBondContact O-N 3.44Å; T137-T140 PolarHBondContact O-N 3.08Å; T137-I141 HydrophobicContact CG2-CD1 4.15Å; T137-I141 WeakPolarHBondContact O-CG1 3.46Å; T137-I141 PolarHBondContact O-N 2.82Å
138T95.5Very high89.7Confident2 Ų248.5 Ų48.51%0.01225%0.253CS..Hα-helixtrans-58.6-45.6176-63.30000111.4A111 I124 A134 T140 I141 L142 V169A111-T138 HydrophobicContact CB-CG2 3.93Å; I124-T138 HydrophobicContact CG2-CG2 4.35Å; A134-T138 PolarHBondContact O-N 2.97Å; A134-T138 PolarHBondContact O-OG1 3.22Å; T138-T140 VanDerWaalsContact C-N 3.35Å; T138-T140 PolarHBondContact O-N 3.45Å; T138-I141 PolarHBondContact O-N 3.48Å; T138-L142 HydrophobicContact CG2-CD1 3.8Å; T138-L142 HydrophobicContact CG2-CG 4.46Å; T138-L142 WeakPolarHBondContact O-CD1 3.39Å; T138-L142 VanDerWaalsContact O-CG 3.26Å; T138-L142 WeakPolarHBondContact O-CG 3.48Å; T138-L142 PolarHBondContact O-N 3.38Å; T138-V169 HydrophobicContact CG2-CG1 4.21Å; T138-V169 HydrophobicContact CG2-CG2 3.83Å
139S94Very high88.2Confident32 Ų3252.1 Ų52.122%0.22427%0.265CS..Hα-helixtrans-61.2-43.3177.6-61.30000111.6A135 E136 T137 I141 L142 Q143 V169A135-S139 VanDerWaalsContact O-CB 3.27Å; A135-S139 WeakPolarHBondContact O-CB 3.48Å; A135-S139 PolarHBondContact O-N 3.43Å; A135-S139 PolarHBondContact O-OG 3.08Å; E136-S139 PolarHBondContact O-N 3.27Å; T137-S139 VanDerWaalsContact C-N 3.34Å; T137-S139 PolarHBondContact O-N 3.44Å; S139-I141 PolarHBondContact O-N 2.95Å; S139-L142 PolarHBondContact O-N 3.44Å; S139-Q143 WeakPolarHBondContact O-CB 3.45Å; S139-Q143 VanDerWaalsContact O-CG 3.24Å; S139-Q143 WeakPolarHBondContact O-CG 3.48Å; S139-Q143 PolarHBondContact O-N 3.4Å; S139-V169 WeakPolarHBondContact OG-CB 3.29Å; S139-V169 VanDerWaalsContact OG-CG2 3.23Å; S139-V169 WeakPolarHBondContact OG-CG2 3.48Å
140T93.3Very high86.2Confident81 Ų8163 Ų6350%0.49731%0.305SS..Hα-helixtrans-61-46.1178.3-61.10000111.4E136 T137 T138 Q143 F144E136-T140 WeakPolarHBondContact O-CB 3.39Å; E136-T140 PolarHBondContact O-N 3.29Å; E136-T140 PolarHBondContact O-OG1 3.48Å; T137-T140 PolarHBondContact O-N 3.08Å; T138-T140 VanDerWaalsContact C-N 3.35Å; T138-T140 PolarHBondContact O-N 3.45Å; T140-Q143 PolarHBondContact O-N 3.32Å; T140-F144 WeakPolarHBondContact O-CB 3.36Å; T140-F144 PolarHBondContact O-N 3.41Å
141I93.3Very high84.2Confident13 Ų1367 Ų677%0.06733%0.333CS..Hα-helixtrans-59.6-51.4176.5-70.2168.7000110.4E108 A111 R112 T137 T138 S139 Q143 F144 E145E108-I141 HydrophobicContact CB-CD1 4.08Å; E108-I141 HydrophobicContact CG-CD1 3.82Å; A111-I141 HydrophobicContact CB-CB 4.3Å; A111-I141 HydrophobicContact CB-CD1 4.29Å; A111-I141 HydrophobicContact CB-CG2 3.94Å; R112-I141 HydrophobicContact CB-CG2 4.34Å; R112-I141 HydrophobicContact CG-CG2 3.52Å; T137-I141 HydrophobicContact CG2-CD1 4.15Å; T137-I141 WeakPolarHBondContact O-CG1 3.46Å; T137-I141 PolarHBondContact O-N 2.82Å; T138-I141 PolarHBondContact O-N 3.48Å; S139-I141 PolarHBondContact O-N 2.95Å; I141-Q143 VanDerWaalsContact C-N 3.35Å; I141-Q143 PolarHBondContact O-N 3.28Å; I141-F144 PolarHBondContact O-N 2.94Å; I141-E145 HydrophobicContact CG2-CG 4.48Å; I141-E145 WeakPolarHBondContact O-CB 3.4Å; I141-E145 VanDerWaalsContact O-CG 3.32Å; I141-E145 WeakPolarHBondContact O-CG 3.42Å; I141-E145 PolarHBondContact O-N 3.46Å; I141-E145 VanDerWaalsContact O-N 3.09Å
142L92.3Very high82.1Confident1 Ų166.8 Ų66.81%0.00533%0.331CS..Hα-helixtrans-59.3-45.3-179.1-70.3164.4000111.5I114 A115 I124 T138 S139 A146 F167 V169I114-L142 HydrophobicContact CB-CD2 4.12Å; I114-L142 HydrophobicContact CG2-CD2 3.71Å; A115-L142 HydrophobicContact CB-CD2 4.12Å; I124-L142 HydrophobicContact CB-CD1 4.4Å; I124-L142 HydrophobicContact CD1-CD1 3.79Å; I124-L142 HydrophobicContact CD1-CD2 4.33Å; I124-L142 HydrophobicContact CG1-CD1 3.86Å; I124-L142 HydrophobicContact CG1-CD2 4.5Å; T138-L142 HydrophobicContact CG2-CD1 3.8Å; T138-L142 HydrophobicContact CG2-CG 4.46Å; T138-L142 WeakPolarHBondContact O-CD1 3.39Å; T138-L142 VanDerWaalsContact O-CG 3.26Å; T138-L142 WeakPolarHBondContact O-CG 3.48Å; T138-L142 PolarHBondContact O-N 3.38Å; S139-L142 PolarHBondContact O-N 3.44Å; L142-A146 WeakPolarHBondContact O-CB 3.31Å; L142-A146 PolarHBondContact O-N 3.19Å; L142-F167 HydrophobicContact CB-CB 4.06Å; L142-F167 HydrophobicContact CB-CD2 4.3Å; L142-F167 HydrophobicContact CB-CG 4.21Å; L142-F167 HydrophobicContact CD1-CB 4.22Å; L142-F167 HydrophobicContact CD2-CD1 4.32Å; L142-F167 HydrophobicContact CD2-CG 4.38Å; L142-V169 HydrophobicContact CD1-CG2 3.59Å
143Q87.4Confident79.9Confident86 Ų8669.7 Ų69.740%0.40235%0.353SS..Hα-helixtrans-67.8-41.6-178.8-73176.95.500112.8S139 T140 I141 K147S139-Q143 WeakPolarHBondContact O-CB 3.45Å; S139-Q143 VanDerWaalsContact O-CG 3.24Å; S139-Q143 WeakPolarHBondContact O-CG 3.48Å; S139-Q143 PolarHBondContact O-N 3.4Å; T140-Q143 PolarHBondContact O-N 3.32Å; I141-Q143 VanDerWaalsContact C-N 3.35Å; I141-Q143 PolarHBondContact O-N 3.28Å; Q143-K147 WeakPolarHBondContact O-CB 3.49Å; Q143-K147 VanDerWaalsContact O-CG 3.32Å; Q143-K147 WeakPolarHBondContact O-CG 3.4Å; Q143-K147 PolarHBondContact O-N 3.43Å; Q143-K147 VanDerWaalsContact O-N 3.07Å
144F85Confident77.8Confident151 Ų15171.6 Ų71.666%0.66237%0.368SS*.Hα-helixtrans-67.5-45.8-179.2-170.1-93.7000111.6T140 I141 A146 K147 S148T140-F144 WeakPolarHBondContact O-CB 3.36Å; T140-F144 PolarHBondContact O-N 3.41Å; I141-F144 PolarHBondContact O-N 2.94Å; F144-A146 VanDerWaalsContact C-N 3.34Å; F144-A146 PolarHBondContact O-N 2.79Å; F144-K147 PolarHBondContact O-N 2.78Å; F144-S148 PolarHBondContact O-N 3.41Å
145E80.5Confident75.7Confident55 Ų5574.7 Ų74.726%0.25738%0.384SS..Hα-helixtrans-69.9-29178.4-67.2-69.2176.100112.6R112 A115 I141 S148R112-E145 IonicContact NH1-OE1 2.71Å; A115-E145 HydrophobicContact CB-CB 3.37Å; A115-E145 HydrophobicContact CB-CG 4.04Å; I141-E145 HydrophobicContact CG2-CG 4.48Å; I141-E145 WeakPolarHBondContact O-CB 3.4Å; I141-E145 VanDerWaalsContact O-CG 3.32Å; I141-E145 WeakPolarHBondContact O-CG 3.42Å; I141-E145 PolarHBondContact O-N 3.46Å; I141-E145 VanDerWaalsContact O-N 3.09Å; E145-S148 PolarHBondContact O-OG 3.48Å
146A74.2Confident73.6Confident17 Ų1777.2 Ų77.214%0.1440%0.399CS..Hα-helixtrans-70.4-42.7172.600000112.2L142 F144 S148 R149 F167L142-A146 WeakPolarHBondContact O-CB 3.31Å; L142-A146 PolarHBondContact O-N 3.19Å; F144-A146 VanDerWaalsContact C-N 3.34Å; F144-A146 PolarHBondContact O-N 2.79Å; A146-S148 VanDerWaalsContact C-N 3.32Å; A146-S148 PolarHBondContact O-N 3.46Å; A146-R149 PolarHBondContact O-N 3.25Å; A146-R149 VanDerWaalsContact O-N 3.12Å; A146-F167 HydrophobicContact CB-CD2 4.06Å; A146-F167 HydrophobicContact CB-CE2 3.78Å
147K72.2Confident71.7Confident167 Ų16773.7 Ų73.773%0.72638%0.383SS*.Hα-helixtrans-65-32.7179.5-77.6174.2-178.6173.60113Q143 F144 R149Q143-K147 WeakPolarHBondContact O-CB 3.49Å; Q143-K147 VanDerWaalsContact O-CG 3.32Å; Q143-K147 WeakPolarHBondContact O-CG 3.4Å; Q143-K147 PolarHBondContact O-N 3.43Å; Q143-K147 VanDerWaalsContact O-N 3.07Å; F144-K147 PolarHBondContact O-N 2.78Å; K147-R149 PolarHBondContact O-N 2.87Å
148S69.2Low69.5Low80 Ų8075.4 Ų75.456%0.55939%0.393SS*.THydrogen-bonded Turntrans-64.8-16.9176.272.50000112.5F144 E145 A146F144-S148 PolarHBondContact O-N 3.41Å; E145-S148 PolarHBondContact O-OG 3.48Å; A146-S148 VanDerWaalsContact C-N 3.32Å; A146-S148 PolarHBondContact O-N 3.46Å
149R64.7Low67.3Low85 Ų8576.4 Ų76.432%0.32140%0.399SS..  trans-107.793.9179.2-64172.8173.4-158.5-9.6110.3A115 K116 A146 K147 S151 L152A115-R149 PolarHBondContact O-NH1 2.77Å; K116-R149 VanDerWaalsContact CA-NH2 3.29Å; K116-R149 PolarHBondContact O-NH1 3.04Å; K116-R149 PolarHBondContact O-NH2 3.3Å; A146-R149 PolarHBondContact O-N 3.25Å; A146-R149 VanDerWaalsContact O-N 3.12Å; K147-R149 PolarHBondContact O-N 2.87Å; R149-S151 PolarHBondContact O-N 2.96Å; R149-L152 HydrophobicContact CB-CD1 4.02Å; R149-L152 PolarHBondContact O-N 2.57Å
150R52.9Low65Low236 Ų23681.8 Ų81.889%0.89143%0.426SS*.THydrogen-bonded Turntrans-46.3-21.8175.4-83.6-175160.9104.6-2.5115S153R150-S153 PolarHBondContact O-OG 3.23Å
151S54.3Low62.9Low88 Ų8885.2 Ų85.262%0.61544%0.441SS*.THydrogen-bonded Turntrans-71.8-22.8179.4-167.10000114.8R149 L155R149-S151 PolarHBondContact O-N 2.96Å; S151-L155 WeakPolarHBondContact O-CD1 3.44Å
152L51.9Low61Low17 Ų1789.3 Ų89.39%0.08946%0.463CS..G310 helixtrans-84.8-17.8-175.5-91.1101.6000114.3R149 N154 L155 F167R149-L152 HydrophobicContact CB-CD1 4.02Å; R149-L152 PolarHBondContact O-N 2.57Å; L152-N154 PolarHBondContact O-N 3.01Å; L152-L155 PolarHBondContact O-N 3.24Å; L152-F167 HydrophobicContact CD2-CE2 3.73Å; L152-F167 HydrophobicContact CD2-CZ 3.92Å
153S49.4Very low59.8Low99 Ų9995.7 Ų95.769%0.69249%0.491SS*.G310 helixtrans-64.2-16.3-175.666.50000114.1R150R150-S153 PolarHBondContact O-OG 3.23Å
154N48.6Very low59.4Low141 Ų14191.7 Ų91.775%0.75447%0.472SS*.G310 helixtrans-117.63.1-173.9-60.6-6.6000113.7L152L152-N154 PolarHBondContact O-N 3.01Å
155L50.8Low59.3Low66 Ų6689.2 Ų89.235%0.34647%0.466SS..  trans-95.9139.7178-90.692000111.8Q120 S151 L152Q120-L155 HydrophobicContact CB-CB 4.44Å; Q120-L155 HydrophobicContact CB-CD2 4.06Å; S151-L155 WeakPolarHBondContact O-CD1 3.44Å; L152-L155 PolarHBondContact O-N 3.24Å
156T50Low59.7Low57 Ų5790.3 Ų90.335%0.3547%0.471SS..  trans-137.8130.4-176.5-60.40000109.9K163T156-K163 HydrophobicContact CG2-CB 3.41Å; T156-K163 VanDerWaalsContact CG2-CB 3.41Å; T156-K163 HydrophobicContact CG2-CD 3.75Å; T156-K163 HydrophobicContact CG2-CG 3.42Å; T156-K163 VanDerWaalsContact CG2-CG 3.42Å
157I53Low60.6Low18 Ų1890.3 Ų90.39%0.09247%0.468CS..EExtended strand (participates in β ladder)trans-81.6122.2163-60.2-177.4000107.5Q120 P121 T159 K163 L164Q120-I157 HydrophobicContact CG-CD1 4.28Å; Q120-I157 HydrophobicContact CG-CG1 4.34Å; P121-I157 WeakPolarHBondContact O-CD1 3.3Å; I157-T159 HydrophobicContact CG2-CG2 4.12Å; I157-K163 WeakPolarHBondContact O-CA 3.34Å; I157-L164 HydrophobicContact CB-CB 4.14Å; I157-L164 HydrophobicContact CD1-CD2 4.26Å; I157-L164 PolarHBondContact N-O 3.5Å; I157-L164 PolarHBondContact O-N 2.62Å
158T46.1Very low61.7Low91 Ų9183.1 Ų83.156%0.55844%0.438SS*.EExtended strand (participates in β ladder)trans-101.5113.2174.6-42.60000108.5
159T49.4Very low63.1Low23 Ų2379.8 Ų79.814%0.14141%0.414CS..EExtended strand (participates in β ladder)trans-122.2119.8164.259.70000108.2I157 N161 N162I157-T159 HydrophobicContact CG2-CG2 4.12Å; T159-N161 PolarHBondContact O-N 3.39Å; T159-N162 PolarHBondContact N-O 3.47Å; T159-N162 VanDerWaalsContact N-O 3.1Å; T159-N162 PolarHBondContact O-N 2.96Å; T159-N162 VanDerWaalsContact O-O 3.14Å
160N46.2Very low64.7Low145 Ų14575.8 Ų75.878%0.77540%0.399SS*.THydrogen-bonded Turntrans38.460.2176.6-66.5-7.3000114.6N162N160-N162 PolarHBondContact O-N 3.24Å; N160-N162 VanDerWaalsContact O-N 3.14Å
161N49.7Very low66.8Low154 Ų15464.5 Ų64.582%0.82436%0.357SS*.THydrogen-bonded Turntrans66.7-4.5-179.2-65.8-22.7000117.9T159T159-N161 PolarHBondContact O-N 3.39Å
162N54Low68.9Low98 Ų9860.3 Ų60.352%0.52433%0.327SS..EExtended strand (participates in β ladder)trans-98.4133.7170.9-75.9-22.1000111T159 N160 L204T159-N162 PolarHBondContact N-O 3.47Å; T159-N162 VanDerWaalsContact N-O 3.1Å; T159-N162 PolarHBondContact O-N 2.96Å; T159-N162 VanDerWaalsContact O-O 3.14Å; N160-N162 PolarHBondContact O-N 3.24Å; N160-N162 VanDerWaalsContact O-N 3.14Å; N162-L204 HydrophobicContact CB-CD1 3.92Å; N162-L204 HydrophobicContact CB-CD2 4.09Å
163K66.5Low71.1Confident135 Ų13559.8 Ų59.859%0.58733%0.325SS*.EExtended strand (participates in β ladder)trans-112.2113.2-169.3-75.2-177.6168.3-1740110.2T156 I157 N165T156-K163 HydrophobicContact CG2-CB 3.41Å; T156-K163 VanDerWaalsContact CG2-CB 3.41Å; T156-K163 HydrophobicContact CG2-CD 3.75Å; T156-K163 HydrophobicContact CG2-CG 3.42Å; T156-K163 VanDerWaalsContact CG2-CG 3.42Å; I157-K163 WeakPolarHBondContact O-CA 3.34Å; K163-N165 PolarHBondContact O-N 2.91Å
164L79.3Confident73.2Confident2 Ų255.7 Ų55.71%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-78.3112.6166-168.773000107.7P121 V123 I157 E166 V168 L204P121-L164 HydrophobicContact CB-CD2 4.19Å; P121-L164 HydrophobicContact CB-CG 4.24Å; V123-L164 HydrophobicContact CG2-CD2 4.17Å; I157-L164 HydrophobicContact CB-CB 4.14Å; I157-L164 HydrophobicContact CD1-CD2 4.26Å; I157-L164 PolarHBondContact N-O 3.5Å; I157-L164 PolarHBondContact O-N 2.62Å; L164-E166 WeakPolarHBondContact CD1-O 3.26Å; L164-E166 WeakPolarHBondContact CG-O 3.45Å; L164-V168 HydrophobicContact CD1-CG2 3.73Å; L164-L204 HydrophobicContact CB-CD2 4.18Å
165N82.8Confident75.4Confident99 Ų9950.7 Ų50.753%0.52927%0.266SS..  trans-111.6-3.4-177.363.4-8.1000112.8K163 S201K163-N165 PolarHBondContact O-N 2.91Å; N165-S201 PolarHBondContact OD1-OG 3.45Å; N165-S201 VanDerWaalsContact OD1-OG 3.07Å
166E88.8Confident77.3Confident79 Ų7949 Ų4937%0.36926%0.257SS..SBendtrans-149.2158.6-177.270.3-168.114500111.1P121 L164 V168 S201P121-E166 VanDerWaalsContact CB-C 3.47Å; P121-E166 WeakPolarHBondContact CB-O 3.49Å; L164-E166 WeakPolarHBondContact CD1-O 3.26Å; L164-E166 WeakPolarHBondContact CG-O 3.45Å; E166-V168 HydrophobicContact CG-CG2 4.15Å; E166-V168 PolarHBondContact O-N 3.02Å; E166-S201 WeakPolarHBondContact OE1-CB 3.05Å; E166-S201 PolarHBondContact OE1-OG 3.31Å
167F93.5Very high79.2Confident17 Ų1748 Ų488%0.07526%0.255CS..  trans-66.8130.8170.1-70.2-76.2000109.1I114 K122 I124 L142 A146 L152I114-F167 HydrophobicContact CG2-CE1 4.47Å; K122-F167 HydrophobicContact CB-CD1 4.13Å; K122-F167 HydrophobicContact CB-CE1 4.05Å; K122-F167 HydrophobicContact CG-CE1 4.14Å; K122-F167 VanDerWaalsContact N-CD1 3.29Å; K122-F167 WeakPolarHBondContact O-CA 3.39Å; I124-F167 HydrophobicContact CD1-CB 4.27Å; I124-F167 HydrophobicContact CD1-CD1 3.61Å; I124-F167 HydrophobicContact CD1-CE1 4.45Å; I124-F167 HydrophobicContact CD1-CG 4.37Å; L142-F167 HydrophobicContact CB-CB 4.06Å; L142-F167 HydrophobicContact CB-CD2 4.3Å; L142-F167 HydrophobicContact CB-CG 4.21Å; L142-F167 HydrophobicContact CD1-CB 4.22Å; L142-F167 HydrophobicContact CD2-CD1 4.32Å; L142-F167 HydrophobicContact CD2-CG 4.38Å; A146-F167 HydrophobicContact CB-CD2 4.06Å; A146-F167 HydrophobicContact CB-CE2 3.78Å; L152-F167 HydrophobicContact CD2-CE2 3.73Å; L152-F167 HydrophobicContact CD2-CZ 3.92Å
168V95.4Very high80.9Confident15 Ų1548.2 Ų48.29%0.09126%0.255CS..EExtended strand (participates in β ladder)trans-117.1128.8176.4177.90000108.5K122 I124 L164 E166 L170 A205K122-V168 PolarHBondContact O-N 3.3Å; I124-V168 PolarHBondContact N-O 3.47Å; L164-V168 HydrophobicContact CD1-CG2 3.73Å; E166-V168 HydrophobicContact CG-CG2 4.15Å; E166-V168 PolarHBondContact O-N 3.02Å; V168-L170 HydrophobicContact CG1-CD2 4.12Å; V168-A205 HydrophobicContact CB-CB 3.94Å; V168-A205 HydrophobicContact CG1-CB 3.5Å; V168-A205 HydrophobicContact CG2-CB 4.48Å
169V97.5Very high83Confident11 Ų1144.5 Ų44.57%0.06724%0.236CC..EExtended strand (participates in β ladder)trans-102.5123.8174.8-174.80000108.9I124 A135 T138 S139 L142I124-V169 HydrophobicContact CB-CG2 4.29Å; I124-V169 HydrophobicContact CG2-CG1 4.49Å; I124-V169 CarbonylContact O-C 3.54Å; I124-V169 WeakPolarHBondContact O-CA 3.44Å; A135-V169 HydrophobicContact CB-CG1 3.81Å; T138-V169 HydrophobicContact CG2-CG1 4.21Å; T138-V169 HydrophobicContact CG2-CG2 3.83Å; S139-V169 WeakPolarHBondContact OG-CB 3.29Å; S139-V169 VanDerWaalsContact OG-CG2 3.23Å; S139-V169 WeakPolarHBondContact OG-CG2 3.48Å; L142-V169 HydrophobicContact CD1-CG2 3.59Å
170L98.4Very high85.1Confident0 Ų046.4 Ų46.40%025%0.247CC..EExtended strand (participates in β ladder)trans-106147.4169.7-56.8179.9000109.1V123 I124 V125 E126 V168 I193 G194 A205 I206 L209V123-L170 HydrophobicContact CG1-CD1 3.83Å; V123-L170 HydrophobicContact CG1-CG 4.16Å; I124-L170 PolarHBondContact O-N 3.42Å; V125-L170 HydrophobicContact CG2-CD1 4.47Å; E126-L170 WeakPolarHBondContact CB-O 3.19Å; E126-L170 PolarHBondContact N-O 2.99Å; V168-L170 HydrophobicContact CG1-CD2 4.12Å; L170-I193 HydrophobicContact CD1-CG2 4.43Å; L170-G194 CarbonylContact C-O 3.59Å; L170-G194 VanDerWaalsContact CA-O 3.26Å; L170-G194 WeakPolarHBondContact CA-O 3.5Å; L170-A205 HydrophobicContact CD1-CB 4.01Å; L170-A205 WeakPolarHBondContact CD1-O 3.44Å; L170-A205 HydrophobicContact CD2-CB 4.05Å; L170-A205 HydrophobicContact CG-CB 4.18Å; L170-I206 HydrophobicContact CD2-CG1 3.86Å; L170-L209 HydrophobicContact CD1-CB 3.97Å; L170-L209 HydrophobicContact CD1-CD2 3.91Å
171S98.4Very high87.3Confident0 Ų039.5 Ų39.50%021%0.21CC..EExtended strand (participates in β ladder)trans-96.2133.6162.7174.60000108.4G194 S230S171-G194 PolarHBondContact N-O 3.33Å; S171-G194 WeakPolarHBondContact O-CA 3.43Å; S171-G194 PolarHBondContact O-N 3.48Å; S171-S230 WeakPolarHBondContact CB-OG 3.17Å; S171-S230 PolarHBondContact O-OG 2.81Å; S171-S230 PolarHBondContact OG-OG 2.79Å
172N98.3Very high89.5Confident0 Ų032.9 Ų32.90%018%0.175CC..  trans-143.572.2177.2174.7-126.6000109V125 E126 K127 L192 L209 Y213V125-N172 HydrophobicContact CG1-CB 3.41Å; V125-N172 VanDerWaalsContact CG1-CB 3.41Å; E126-N172 PolarHBondContact O-N 3.43Å; K127-N172 WeakPolarHBondContact CD-O 3.2Å; K127-N172 PolarHBondContact NZ-O 2.83Å; K127-N172 VanDerWaalsContact NZ-O 3.09Å; K127-N172 PolarHBondContact NZ-OD1 3.08Å; N172-L192 WeakPolarHBondContact CA-O 3.49Å; N172-L192 PolarHBondContact ND2-O 3.05Å; N172-L209 HydrophobicContact CB-CD2 3.86Å; N172-Y213 PolarHBondContact OD1-OH 3.31Å
173P97.1Very high91.5Very high5 Ų532.8 Ų32.83%0.03218%0.175CC..  trans-57.7149-173.623.9-33.9000111.7K127 F175 L192 S230 K234K127-P173 PolarHBondContact NZ-O 2.83Å; P173-F175 HydrophobicContact CB-CE2 4.34Å; P173-F175 HydrophobicContact CB-CZ 4.3Å; P173-F175 HydrophobicContact CG-CE2 3.87Å; P173-F175 HydrophobicContact CG-CZ 3.88Å; P173-L192 HydrophobicContact CG-CB 4.15Å; P173-L192 HydrophobicContact CG-CD2 4.02Å; P173-S230 WeakPolarHBondContact CD-OG 3.43Å; P173-K234 HydrophobicContact CB-CB 3.65Å; P173-K234 HydrophobicContact CB-CD 4.28Å; P173-K234 HydrophobicContact CB-CG 4.01Å; P173-K234 HydrophobicContact CG-CB 4.32Å
174E93.8Very high93Very high14 Ų1428.1 Ų28.17%0.06516%0.156CC..  trans-82.414916763.172.8-151.400110.1V13 K127 L176 K234V13-E174 HydrophobicContact CG1-CB 4.02Å; V13-E174 HydrophobicContact CG1-CG 3.79Å; V13-E174 HydrophobicContact CG2-CG 3.9Å; K127-E174 HydrophobicContact CD-CB 4.24Å; E174-L176 HydrophobicContact CB-CD1 4.29Å; E174-L176 HydrophobicContact CB-CG 4.18Å; E174-L176 PolarHBondContact OE2-N 3.26Å; E174-K234 VanDerWaalsContact O-CD 3.23Å; E174-K234 WeakPolarHBondContact O-CD 3.34Å; E174-K234 WeakPolarHBondContact O-CE 3.49Å; E174-K234 PolarHBondContact O-NZ 3.28Å; E174-K234 WeakPolarHBondContact OE1-CE 3.46Å; E174-K234 IonicContact OE1-NZ 3.67Å; E174-K234 PolarHBondContact OE1-NZ 2.73Å; E174-K234 IonicContact OE2-NZ 3.87Å; E174-K234 PolarHBondContact OE2-NZ 3.47Å
175F94.5Very high93.8Very high36 Ų3628.6 Ų28.616%0.15816%0.159CC..  trans-132.244.2174.4-64.9-77000110.6P173 R190 L192 K234 A237P173-F175 HydrophobicContact CB-CE2 4.34Å; P173-F175 HydrophobicContact CB-CZ 4.3Å; P173-F175 HydrophobicContact CG-CE2 3.87Å; P173-F175 HydrophobicContact CG-CZ 3.88Å; F175-R190 HydrophobicContact CD2-CG 4.49Å; F175-R190 HydrophobicContact CE2-CG 4.49Å; F175-R190 VanDerWaalsContact CG-CZ 3.41Å; F175-L192 HydrophobicContact CE2-CB 4Å; F175-L192 HydrophobicContact CZ-CD2 4.29Å; F175-K234 HydrophobicContact CD1-CD 4.06Å; F175-K234 HydrophobicContact CE1-CD 4.02Å; F175-A237 HydrophobicContact CD1-CB 4.28Å; F175-A237 HydrophobicContact CE1-CB 3.87Å
176L91.3Very high94.5Very high29 Ų2925.4 Ų25.415%0.15214%0.144CC..  trans-88.9152.3-173.1-51176.7000110.4E174 A181 D184 L185E174-L176 HydrophobicContact CB-CD1 4.29Å; E174-L176 HydrophobicContact CB-CG 4.18Å; E174-L176 PolarHBondContact OE2-N 3.26Å; L176-A181 HydrophobicContact CB-CB 4.13Å; L176-A181 HydrophobicContact CD1-CB 4.47Å; L176-D184 HydrophobicContact CD2-CB 3.85Å; L176-L185 HydrophobicContact CD1-CD1 4.09Å; L176-L185 HydrophobicContact CD1-CD2 4.06Å; L176-L185 HydrophobicContact CD1-CG 4.05Å; L176-L185 HydrophobicContact CD2-CD1 4.4Å; L176-L185 HydrophobicContact CD2-CD2 3.67Å; L176-L185 HydrophobicContact CD2-CG 3.52Å; L176-L185 HydrophobicContact CG-CD2 4.44Å; L176-L185 HydrophobicContact CG-CG 4.43Å
177A90.3Very high94.9Very high36 Ų3625.8 Ų25.830%0.29815%0.149SC..  trans-116.9133.716500000109.9T180 A181 D184A177-T180 CarbonylContact O-C 3.59Å; A177-T180 PolarHBondContact O-N 2.71Å; A177-T180 VanDerWaalsContact O-N 3.1Å; A177-T180 PolarHBondContact O-OG1 3.34Å; A177-A181 WeakPolarHBondContact O-CA 3.44Å; A177-A181 PolarHBondContact O-N 3.05Å; A177-D184 PolarHBondContact N-OD2 3.25Å
178E88.3Confident95.1Very high23 Ų2325.5 Ų25.511%0.10715%0.148CC..THydrogen-bonded Turntrans-58.6143.6176.3-61.7-176.1-173.400111.7Y12 T180 F352 K353 T356 D358 R360Y12-E178 HydrophobicContact CE1-CG 4.06Å; Y12-E178 HydrophobicContact CE2-CG 4.15Å; Y12-E178 WeakPolarHBondContact OH-CA 3.41Å; E178-T180 PolarHBondContact O-N 3.16Å; E178-F352 HydrophobicContact CB-CZ 4.42Å; E178-F352 HydrophobicContact CG-CZ 4.4Å; E178-F352 VanDerWaalsContact OE2-CE1 3.32Å; E178-F352 WeakPolarHBondContact OE2-CE1 3.31Å; E178-F352 WeakPolarHBondContact OE2-CZ 3.42Å; E178-K353 WeakPolarHBondContact O-CE 3.45Å; E178-K353 PolarHBondContact O-NZ 2.63Å; E178-T356 WeakPolarHBondContact OE2-CB 3.22Å; E178-T356 PolarHBondContact OE2-OG1 2.86Å; E178-D358 WeakPolarHBondContact OE2-CB 3.5Å; E178-R360 IonicContact OE1-NH2 3.6Å
179G89Confident95.2Very high14 Ų1431 Ų3114%0.14418%0.177CC..THydrogen-bonded Turntrans83.1-14.7-174.600000114E52 D355E52-G179 VanDerWaalsContact OE2-CA 3.28Å; E52-G179 WeakPolarHBondContact OE2-CA 3.39Å; E52-G179 PolarHBondContact OE2-N 3.39Å; G179-D355 WeakPolarHBondContact CA-O 3.38Å
180T93.2Very high95.2Very high62 Ų6234 Ų3438%0.3819%0.187SC..THydrogen-bonded Turntrans-132.75.9172.960.40000113.5E52 A177 E178 V182 N183 D184E52-T180 WeakPolarHBondContact OE1-CA 3.21Å; E52-T180 PolarHBondContact OE1-N 2.9Å; A177-T180 CarbonylContact O-C 3.59Å; A177-T180 PolarHBondContact O-N 2.71Å; A177-T180 VanDerWaalsContact O-N 3.1Å; A177-T180 PolarHBondContact O-OG1 3.34Å; E178-T180 PolarHBondContact O-N 3.16Å; T180-V182 VanDerWaalsContact C-N 3.31Å; T180-V182 PolarHBondContact O-N 3.02Å; T180-N183 CarbonylContact O-C 3.51Å; T180-N183 WeakPolarHBondContact O-CA 3.29Å; T180-N183 WeakPolarHBondContact O-CB 3.36Å; T180-N183 PolarHBondContact O-N 3.45Å; T180-D184 PolarHBondContact O-N 2.69Å; T180-D184 PolarHBondContact OG1-OD2 3.1Å
181A93.9Very high95.2Very high0 Ų034.7 Ų34.70%019%0.191CC..Hα-helixtrans-59.1-36.4-171.900000113.4Y12 E52 L176 A177 D184 L185Y12-A181 HydrophobicContact CE1-CB 3.68Å; Y12-A181 VanDerWaalsContact OH-CB 3.26Å; Y12-A181 WeakPolarHBondContact OH-CB 3.17Å; E52-A181 HydrophobicContact CG-CB 4.15Å; E52-A181 PolarHBondContact OE1-N 2.77Å; L176-A181 HydrophobicContact CB-CB 4.13Å; L176-A181 HydrophobicContact CD1-CB 4.47Å; A177-A181 WeakPolarHBondContact O-CA 3.44Å; A177-A181 PolarHBondContact O-N 3.05Å; A181-D184 PolarHBondContact O-N 3.21Å; A181-L185 WeakPolarHBondContact O-CB 3.31Å; A181-L185 WeakPolarHBondContact O-CD1 3.3Å; A181-L185 VanDerWaalsContact O-CG 3.24Å; A181-L185 WeakPolarHBondContact O-CG 3.41Å; A181-L185 PolarHBondContact O-N 2.96Å
182V96.3Very high95.2Very high15 Ų1535.3 Ų35.39%0.09119%0.194CC..Hα-helixtrans-65.2-44174.9164.10000110.7I20 E52 P53 L55 I58 T180 L185 C186I20-V182 HydrophobicContact CD1-CG1 4.36Å; E52-V182 HydrophobicContact CG-CB 4.19Å; E52-V182 HydrophobicContact CG-CG2 3.56Å; E52-V182 PolarHBondContact OE1-N 3.02Å; E52-V182 VanDerWaalsContact OE1-N 3.13Å; P53-V182 WeakPolarHBondContact O-CB 3.5Å; L55-V182 HydrophobicContact CB-CG2 3.79Å; L55-V182 HydrophobicContact CD1-CG2 4.16Å; I58-V182 HydrophobicContact CD1-CG1 3.85Å; T180-V182 VanDerWaalsContact C-N 3.31Å; T180-V182 PolarHBondContact O-N 3.02Å; V182-L185 PolarHBondContact O-N 3.23Å; V182-C186 WeakPolarHBondContact O-CB 3.45Å; V182-C186 PolarHBondContact O-N 3.18Å; V182-C186 PolarHBondContact O-SG 3.11Å; V182-C186 VanDerWaalsContact O-SG 3.33Å
183N96Very high95.2Very high96 Ų9635.3 Ų35.351%0.51319%0.194SC..Hα-helixtrans-63.5-42.7175.4176.875000111.4T180 L185 C186 N187T180-N183 CarbonylContact O-C 3.51Å; T180-N183 WeakPolarHBondContact O-CA 3.29Å; T180-N183 WeakPolarHBondContact O-CB 3.36Å; T180-N183 PolarHBondContact O-N 3.45Å; N183-L185 VanDerWaalsContact C-N 3.29Å; N183-L185 PolarHBondContact O-N 3.19Å; N183-C186 PolarHBondContact O-N 3.06Å; N183-N187 PolarHBondContact O-N 3.34Å
184D96.4Very high95.2Very high37 Ų3735.1 Ų35.120%0.19819%0.193CC..Hα-helixtrans-66-30.8179.5-59.8-19.2000112L176 A177 T180 A181 P188L176-D184 HydrophobicContact CD2-CB 3.85Å; A177-D184 PolarHBondContact N-OD2 3.25Å; T180-D184 PolarHBondContact O-N 2.69Å; T180-D184 PolarHBondContact OG1-OD2 3.1Å; A181-D184 PolarHBondContact O-N 3.21Å; D184-P188 WeakPolarHBondContact O-CA 3.37Å; D184-P188 VanDerWaalsContact O-CB 3.25Å; D184-P188 WeakPolarHBondContact O-CB 3.37Å
185L97.4Very high95.4Very high12 Ų1234.5 Ų34.56%0.06319%0.19CC..Hα-helixtrans-78.6-38.4174.2-75.3165.7000112.8T17 I20 L176 A181 V182 N183 W216T17-L185 HydrophobicContact CG2-CD2 4.21Å; I20-L185 HydrophobicContact CB-CB 4.16Å; I20-L185 HydrophobicContact CB-CD1 4.42Å; I20-L185 HydrophobicContact CG1-CB 3.67Å; I20-L185 HydrophobicContact CG1-CD1 3.65Å; I20-L185 HydrophobicContact CG1-CG 4.25Å; I20-L185 HydrophobicContact CG2-CB 4.06Å; L176-L185 HydrophobicContact CD1-CD1 4.09Å; L176-L185 HydrophobicContact CD1-CD2 4.06Å; L176-L185 HydrophobicContact CD1-CG 4.05Å; L176-L185 HydrophobicContact CD2-CD1 4.4Å; L176-L185 HydrophobicContact CD2-CD2 3.67Å; L176-L185 HydrophobicContact CD2-CG 3.52Å; L176-L185 HydrophobicContact CG-CD2 4.44Å; L176-L185 HydrophobicContact CG-CG 4.43Å; A181-L185 WeakPolarHBondContact O-CB 3.31Å; A181-L185 WeakPolarHBondContact O-CD1 3.3Å; A181-L185 VanDerWaalsContact O-CG 3.24Å; A181-L185 WeakPolarHBondContact O-CG 3.41Å; A181-L185 PolarHBondContact O-N 2.96Å; V182-L185 PolarHBondContact O-N 3.23Å; N183-L185 VanDerWaalsContact C-N 3.29Å; N183-L185 PolarHBondContact O-N 3.19Å; L185-W216 PolarHBondContact O-NE1 3.3Å
186C97.2Very high95.4Very high32 Ų3236.2 Ų36.222%0.21620%0.201CC..Hα-helixtrans-74.6-33.2178.6-74.50000112.6Y24 V182 N183Y24-C186 HydrophobicContact CE2-CB 4.48Å; V182-C186 WeakPolarHBondContact O-CB 3.45Å; V182-C186 PolarHBondContact O-N 3.18Å; V182-C186 PolarHBondContact O-SG 3.11Å; V182-C186 VanDerWaalsContact O-SG 3.33Å; N183-C186 PolarHBondContact O-N 3.06Å
187N97.1Very high95.4Very high88 Ų8837.6 Ų37.647%0.47121%0.213SC..SBendtrans-135.766.7179.8-178.640.5000110.5N183 R221N183-N187 PolarHBondContact O-N 3.34Å; N187-R221 PolarHBondContact OD1-NH1 3.11Å
188P97.3Very high95.6Very high10 Ų1043.5 Ų43.57%0.06523%0.234CC..  trans-67.8143.1-177.927.4-33.8000111.1D184 R190 I191 V217 R221D184-P188 WeakPolarHBondContact O-CA 3.37Å; D184-P188 VanDerWaalsContact O-CB 3.25Å; D184-P188 WeakPolarHBondContact O-CB 3.37Å; P188-R190 PolarHBondContact O-N 2.79Å; P188-I191 HydrophobicContact CB-CD1 4Å; P188-I191 HydrophobicContact CB-CG1 4.36Å; P188-I191 HydrophobicContact CG-CD1 3.93Å; P188-I191 HydrophobicContact CG-CG1 3.97Å; P188-V217 HydrophobicContact CG-CG1 4.01Å; P188-V217 HydrophobicContact CG-CG2 3.7Å; P188-R221 VanDerWaalsContact O-CD 3.23Å; P188-R221 WeakPolarHBondContact O-CD 3.5Å; P188-R221 PolarHBondContact O-NH1 3.2Å; P188-R221 VanDerWaalsContact O-NH1 3.11Å
189D96.7Very high95.8Very high130 Ų13044 Ų4470%0.69524%0.24SC*.SBendtrans-58.8-38.4165.8-70-32.2000110.8
190R97.4Very high95.9Very high75 Ų7548.3 Ų48.328%0.28327%0.269SS..  trans-160.6151.3178.165.8-79.8177-116.87111.8F175 P188 R221 L223F175-R190 HydrophobicContact CD2-CG 4.49Å; F175-R190 HydrophobicContact CE2-CG 4.49Å; F175-R190 VanDerWaalsContact CG-CZ 3.41Å; P188-R190 PolarHBondContact O-N 2.79Å; R190-R221 CarbonylContact C-O 3.32Å; R190-R221 VanDerWaalsContact CA-O 3.26Å; R190-R221 WeakPolarHBondContact CA-O 3.24Å; R190-L223 HydrophobicContact CB-CD1 4.28Å
191I98.3Very high95.9Very high14 Ų1445.7 Ų45.77%0.07225%0.253CS..EExtended strand (participates in β ladder)trans-112.8125.9161.5-63.3-60.7000107.5P188 I193 Y213 V217 R221 I222 L223P188-I191 HydrophobicContact CB-CD1 4Å; P188-I191 HydrophobicContact CB-CG1 4.36Å; P188-I191 HydrophobicContact CG-CD1 3.93Å; P188-I191 HydrophobicContact CG-CG1 3.97Å; I191-I193 HydrophobicContact CG2-CG1 4.2Å; I191-Y213 HydrophobicContact CD1-CD1 3.95Å; I191-Y213 HydrophobicContact CD1-CE1 3.73Å; I191-Y213 HydrophobicContact CG1-CD1 3.89Å; I191-Y213 HydrophobicContact CG1-CE1 4.16Å; I191-Y213 HydrophobicContact CG1-CG 4.2Å; I191-Y213 HydrophobicContact CG2-CD1 4.12Å; I191-Y213 HydrophobicContact CG2-CD2 3.53Å; I191-Y213 HydrophobicContact CG2-CE1 4.16Å; I191-Y213 HydrophobicContact CG2-CE2 3.53Å; I191-Y213 HydrophobicContact CG2-CG 3.81Å; I191-V217 HydrophobicContact CG1-CG1 4.09Å; I191-V217 HydrophobicContact CG1-CG2 4.11Å; I191-R221 PolarHBondContact N-O 2.78Å; I191-I222 HydrophobicContact CB-CG1 4.37Å; I191-I222 HydrophobicContact CG2-CG2 4.48Å; I191-I222 CarbonylContact O-C 3.52Å; I191-I222 WeakPolarHBondContact O-CA 3.47Å; I191-L223 PolarHBondContact O-N 3.16Å
192L98.4Very high95.9Very high14 Ų1445.7 Ų45.77%0.07325%0.253CS..EExtended strand (participates in β ladder)trans-104.1127.8177.4-167.762.8000109.8N172 P173 F175 L223 T225N172-L192 WeakPolarHBondContact CA-O 3.49Å; N172-L192 PolarHBondContact ND2-O 3.05Å; P173-L192 HydrophobicContact CG-CB 4.15Å; P173-L192 HydrophobicContact CG-CD2 4.02Å; F175-L192 HydrophobicContact CE2-CB 4Å; F175-L192 HydrophobicContact CZ-CD2 4.29Å; L192-L223 WeakPolarHBondContact CA-O 3.3Å; L192-L223 HydrophobicContact CD1-CB 3.69Å; L192-T225 HydrophobicContact CD1-CG2 3.6Å; L192-T225 HydrophobicContact CD2-CG2 4.37Å; L192-T225 HydrophobicContact CG-CG2 3.99Å
193I98.6Very high95.9Very high0 Ų050.3 Ų50.30%027%0.271CS..EExtended strand (participates in β ladder)trans-119.6103.7175-57.8175.4000108.1L170 I191 I206 L209 R210 Y213 I222 L223 I224 T225L170-I193 HydrophobicContact CD1-CG2 4.43Å; I191-I193 HydrophobicContact CG2-CG1 4.2Å; I193-I206 HydrophobicContact CG2-CB 4.43Å; I193-I206 HydrophobicContact CG2-CG1 4.19Å; I193-I206 HydrophobicContact CG2-CG2 4.11Å; I193-L209 HydrophobicContact CD1-CB 4.32Å; I193-L209 HydrophobicContact CD1-CD2 4.23Å; I193-L209 HydrophobicContact CD1-CG 3.98Å; I193-L209 HydrophobicContact CG1-CD2 4.05Å; I193-L209 HydrophobicContact CG1-CG 4.33Å; I193-L209 HydrophobicContact CG2-CD2 4.08Å; I193-R210 HydrophobicContact CD1-CB 3.96Å; I193-Y213 HydrophobicContact CD1-CD2 4.27Å; I193-I222 HydrophobicContact CD1-CG2 3.76Å; I193-I222 HydrophobicContact CG1-CG2 4.35Å; I193-L223 PolarHBondContact N-O 3.38Å; I193-I224 WeakPolarHBondContact O-CA 3.32Å; I193-T225 PolarHBondContact O-N 3.02Å
194G98.3Very high95.8Very high0 Ų046.7 Ų46.70%025%0.252CS..EExtended strand (participates in β ladder)trans-84.6123.3169.900000111.3L170 S171 T225 S230L170-G194 CarbonylContact C-O 3.59Å; L170-G194 VanDerWaalsContact CA-O 3.26Å; L170-G194 WeakPolarHBondContact CA-O 3.5Å; S171-G194 PolarHBondContact N-O 3.33Å; S171-G194 WeakPolarHBondContact O-CA 3.43Å; S171-G194 PolarHBondContact O-N 3.48Å; G194-T225 VanDerWaalsContact CA-O 3.31Å; G194-T225 WeakPolarHBondContact CA-O 3.44Å; G194-S230 VanDerWaalsContact CA-CB 3.44Å
195G97.2Very high95.8Very high2 Ų244.9 Ų44.92%0.02124%0.243CC..  trans-162.3171.9175.400000112.7S197 T225 T227G195-S197 PolarHBondContact O-N 2.86Å; G195-T225 PolarHBondContact N-O 2.98Å; G195-T227 WeakPolarHBondContact CA-OG1 3.26Å
196D94.6Very high95.8Very high71 Ų7144.6 Ų44.638%0.3824%0.241SC..  trans-80.4101.3171.2176.318.5000110.3H198 S199 G202 K203D196-H198 PolarHBondContact O-N 2.85Å; D196-H198 WeakPolarHBondContact OD1-CA 3.41Å; D196-H198 WeakPolarHBondContact OD1-CB 3.37Å; D196-H198 IonicContact OD1-CD2 3.82Å; D196-H198 IonicContact OD1-CG 3.11Å; D196-H198 PolarHBondContact OD1-N 2.86Å; D196-S199 PolarHBondContact OD1-N 2.82Å; D196-S199 WeakPolarHBondContact OD2-CB 3.23Å; D196-S199 PolarHBondContact OD2-N 2.76Å; D196-S199 PolarHBondContact OD2-OG 3.46Å; D196-G202 CarbonylContact O-C 3.57Å; D196-G202 VanDerWaalsContact O-CA 3.23Å; D196-G202 WeakPolarHBondContact O-CA 2.96Å; D196-K203 PolarHBondContact O-N 3.43Å
197S92.6Very high95.8Very high58 Ų5847.3 Ų47.341%0.40625%0.25SS..SBendtrans-79.12.117768.30000113.7G195 K203G195-S197 PolarHBondContact O-N 2.86Å; S197-K203 WeakPolarHBondContact O-CE 3.14Å; S197-K203 WeakPolarHBondContact O-CG 3.35Å
198H93Very high95.8Very high160 Ų16044 Ų4474%0.74123%0.232SC*.SBendtrans-97-38.7178.7-59.2-63.1000112.5D196D196-H198 PolarHBondContact O-N 2.85Å; D196-H198 WeakPolarHBondContact OD1-CA 3.41Å; D196-H198 WeakPolarHBondContact OD1-CB 3.37Å; D196-H198 IonicContact OD1-CD2 3.82Å; D196-H198 IonicContact OD1-CG 3.11Å; D196-H198 PolarHBondContact OD1-N 2.86Å
199S92.4Very high95.8Very high34 Ų3443.5 Ų43.524%0.23823%0.229CC..SBendtrans-75.2148.8175.561.90000113D196 G202 K203D196-S199 PolarHBondContact OD1-N 2.82Å; D196-S199 WeakPolarHBondContact OD2-CB 3.23Å; D196-S199 PolarHBondContact OD2-N 2.76Å; D196-S199 PolarHBondContact OD2-OG 3.46Å; S199-G202 PolarHBondContact O-N 2.99Å; S199-G202 WeakPolarHBondContact OG-CA 3.39Å; S199-G202 PolarHBondContact OG-N 3.05Å; S199-G202 VanDerWaalsContact OG-N 3.11Å; S199-K203 WeakPolarHBondContact O-CG 3.39Å; S199-K203 PolarHBondContact O-N 3.01Å
200S92.3Very high95.9Very high105 Ų10540.7 Ų40.773%0.73421%0.209SC*.Hα-helixtrans-63.4-41.5175.7-57.10000112L204S200-L204 WeakPolarHBondContact O-CB 3.34Å; S200-L204 PolarHBondContact O-N 2.78Å
201S92Very high95.9Very high7 Ų740.3 Ų40.35%0.04921%0.207CC..Hα-helixtrans-63.7-43.6176.4-46.20000111.4N165 E166 L204 A205N165-S201 PolarHBondContact OD1-OG 3.45Å; N165-S201 VanDerWaalsContact OD1-OG 3.07Å; E166-S201 WeakPolarHBondContact OE1-CB 3.05Å; E166-S201 PolarHBondContact OE1-OG 3.31Å; S201-L204 PolarHBondContact O-N 2.9Å; S201-A205 WeakPolarHBondContact O-CB 3.16Å; S201-A205 PolarHBondContact O-N 3.4Å
202G94.8Very high95.9Very high0 Ų039.7 Ų39.70%020%0.204CC..Hα-helixtrans-63-47.5177.200000112.9D196 S199 L204 A205 I206D196-G202 CarbonylContact O-C 3.57Å; D196-G202 VanDerWaalsContact O-CA 3.23Å; D196-G202 WeakPolarHBondContact O-CA 2.96Å; S199-G202 PolarHBondContact O-N 2.99Å; S199-G202 WeakPolarHBondContact OG-CA 3.39Å; S199-G202 PolarHBondContact OG-N 3.05Å; S199-G202 VanDerWaalsContact OG-N 3.11Å; G202-L204 VanDerWaalsContact C-N 3.34Å; G202-L204 PolarHBondContact O-N 3.35Å; G202-A205 PolarHBondContact O-N 3.29Å; G202-I206 VanDerWaalsContact O-CG1 3.28Å; G202-I206 WeakPolarHBondContact O-CG1 3.49Å; G202-I206 PolarHBondContact O-N 2.82Å
203K95.7Very high95.9Very high111 Ų11139.2 Ų39.248%0.48320%0.201SC..Hα-helixtrans-56.8-45.4173.5-72.3174.9-174176.50112.4D196 S197 S199 I206 E207D196-K203 PolarHBondContact O-N 3.43Å; S197-K203 WeakPolarHBondContact O-CE 3.14Å; S197-K203 WeakPolarHBondContact O-CG 3.35Å; S199-K203 WeakPolarHBondContact O-CG 3.39Å; S199-K203 PolarHBondContact O-N 3.01Å; K203-I206 PolarHBondContact O-N 3.4Å; K203-E207 WeakPolarHBondContact O-CG 3.34Å; K203-E207 PolarHBondContact O-N 2.98Å
204L94.7Very high95.8Very high20 Ų2042.6 Ų42.611%0.10522%0.219CC..Hα-helixtrans-60.8-47.2178177.462.8000111.1N162 L164 S200 S201 G202 I206 E207 M208N162-L204 HydrophobicContact CB-CD1 3.92Å; N162-L204 HydrophobicContact CB-CD2 4.09Å; L164-L204 HydrophobicContact CB-CD2 4.18Å; S200-L204 WeakPolarHBondContact O-CB 3.34Å; S200-L204 PolarHBondContact O-N 2.78Å; S201-L204 PolarHBondContact O-N 2.9Å; G202-L204 VanDerWaalsContact C-N 3.34Å; G202-L204 PolarHBondContact O-N 3.35Å; L204-I206 PolarHBondContact O-N 3.22Å; L204-E207 PolarHBondContact O-N 3.48Å; L204-M208 HydrophobicContact CD1-CG 4.31Å; L204-M208 HydrophobicContact CD1-SD 4.3Å; L204-M208 HydrophobicContact CG-CG 4.46Å; L204-M208 HydrophobicContact CG-SD 3.95Å; L204-M208 VanDerWaalsContact O-CG 3.24Å; L204-M208 WeakPolarHBondContact O-CG 3.34Å; L204-M208 PolarHBondContact O-N 2.87Å
205A96.2Very high95.8Very high0 Ų045.6 Ų45.60%023%0.233CC..Hα-helixtrans-61.8-44.4179.200000112.2V123 V168 L170 S201 G202 E207 M208 L209V123-A205 HydrophobicContact CB-CB 4.44Å; V123-A205 HydrophobicContact CG1-CB 3.85Å; V123-A205 HydrophobicContact CG2-CB 3.72Å; V168-A205 HydrophobicContact CB-CB 3.94Å; V168-A205 HydrophobicContact CG1-CB 3.5Å; V168-A205 HydrophobicContact CG2-CB 4.48Å; L170-A205 HydrophobicContact CD1-CB 4.01Å; L170-A205 WeakPolarHBondContact CD1-O 3.44Å; L170-A205 HydrophobicContact CD2-CB 4.05Å; L170-A205 HydrophobicContact CG-CB 4.18Å; S201-A205 WeakPolarHBondContact O-CB 3.16Å; S201-A205 PolarHBondContact O-N 3.4Å; G202-A205 PolarHBondContact O-N 3.29Å; A205-E207 VanDerWaalsContact C-N 3.35Å; A205-E207 PolarHBondContact O-N 3.48Å; A205-M208 PolarHBondContact O-N 3.18Å; A205-L209 PolarHBondContact O-N 3.26Å
206I97.5Very high95.9Very high5 Ų547.4 Ų47.43%0.02624%0.239CC..Hα-helixtrans-57.7-48.7175.8-69.5164.4000110.1L170 I193 G202 K203 L204 M208 L209 R210 I224L170-I206 HydrophobicContact CD2-CG1 3.86Å; I193-I206 HydrophobicContact CG2-CB 4.43Å; I193-I206 HydrophobicContact CG2-CG1 4.19Å; I193-I206 HydrophobicContact CG2-CG2 4.11Å; G202-I206 VanDerWaalsContact O-CG1 3.28Å; G202-I206 WeakPolarHBondContact O-CG1 3.49Å; G202-I206 PolarHBondContact O-N 2.82Å; K203-I206 PolarHBondContact O-N 3.4Å; L204-I206 PolarHBondContact O-N 3.22Å; I206-M208 VanDerWaalsContact C-N 3.35Å; I206-M208 PolarHBondContact O-N 3.14Å; I206-L209 PolarHBondContact O-N 3.29Å; I206-R210 WeakPolarHBondContact O-CB 3.44Å; I206-R210 PolarHBondContact O-N 3.36Å; I206-I224 HydrophobicContact CD1-CG2 4.21Å; I206-I224 HydrophobicContact CG2-CD1 3.81Å; I206-I224 HydrophobicContact CG2-CG1 4.01Å; I206-I224 HydrophobicContact CG2-CG2 3.92Å
207E96.8Very high96.1Very high89 Ų8944.1 Ų44.142%0.41622%0.222SC..Hα-helixtrans-67.2-34.2-180-71.6-60.2134.800112.5K203 L204 A205 R210 W211K203-E207 WeakPolarHBondContact O-CG 3.34Å; K203-E207 PolarHBondContact O-N 2.98Å; L204-E207 PolarHBondContact O-N 3.48Å; A205-E207 VanDerWaalsContact C-N 3.35Å; A205-E207 PolarHBondContact O-N 3.48Å; E207-R210 IonicContact OE1-CZ 3.81Å; E207-R210 IonicContact OE1-NH1 2.86Å; E207-R210 PolarHBondContact OE1-NH1 2.94Å; E207-R210 IonicContact OE2-NH1 3.94Å; E207-R210 PolarHBondContact OE2-NH1 3.25Å; E207-W211 VanDerWaalsContact O-CB 3.22Å; E207-W211 WeakPolarHBondContact O-CB 3.09Å; E207-W211 PolarHBondContact O-N 2.9Å
208M96.4Very high96.3Very high18 Ų1843.7 Ų43.79%0.08922%0.217CC..Hα-helixtrans-61.9-45172.9-73.1170.66600111.9L2 M82 V123 L204 A205 I206 I212L2-M208 HydrophobicContact CD1-CE 3.63Å; M82-M208 HydrophobicContact CE-CB 3.82Å; V123-M208 HydrophobicContact CG2-CE 4.02Å; V123-M208 HydrophobicContact CG2-SD 3.98Å; L204-M208 HydrophobicContact CD1-CG 4.31Å; L204-M208 HydrophobicContact CD1-SD 4.3Å; L204-M208 HydrophobicContact CG-CG 4.46Å; L204-M208 HydrophobicContact CG-SD 3.95Å; L204-M208 VanDerWaalsContact O-CG 3.24Å; L204-M208 WeakPolarHBondContact O-CG 3.34Å; L204-M208 PolarHBondContact O-N 2.87Å; A205-M208 PolarHBondContact O-N 3.18Å; I206-M208 VanDerWaalsContact C-N 3.35Å; I206-M208 PolarHBondContact O-N 3.14Å; M208-I212 PolarHBondContact O-N 3.16Å
209L98Very high96.6Very high0 Ų038.3 Ų38.30%020%0.201CC..Hα-helixtrans-72.2-41.3178.9-179.858.5000111.6M82 F84 V125 L170 N172 I193 A205 I206 W211 I212 Y213M82-L209 HydrophobicContact CE-CB 3.88Å; M82-L209 HydrophobicContact CE-CD1 4.41Å; M82-L209 HydrophobicContact SD-CB 4.43Å; M82-L209 HydrophobicContact SD-CD1 3.86Å; F84-L209 HydrophobicContact CE1-CD1 4.05Å; F84-L209 HydrophobicContact CZ-CD1 3.57Å; V125-L209 HydrophobicContact CG1-CD2 3.84Å; V125-L209 HydrophobicContact CG2-CD1 4.36Å; V125-L209 HydrophobicContact CG2-CD2 4.07Å; L170-L209 HydrophobicContact CD1-CB 3.97Å; L170-L209 HydrophobicContact CD1-CD2 3.91Å; N172-L209 HydrophobicContact CB-CD2 3.86Å; I193-L209 HydrophobicContact CD1-CB 4.32Å; I193-L209 HydrophobicContact CD1-CD2 4.23Å; I193-L209 HydrophobicContact CD1-CG 3.98Å; I193-L209 HydrophobicContact CG1-CD2 4.05Å; I193-L209 HydrophobicContact CG1-CG 4.33Å; I193-L209 HydrophobicContact CG2-CD2 4.08Å; A205-L209 PolarHBondContact O-N 3.26Å; I206-L209 PolarHBondContact O-N 3.29Å; L209-W211 VanDerWaalsContact C-N 3.27Å; L209-W211 PolarHBondContact O-N 2.89Å; L209-I212 HydrophobicContact CD1-CD1 4.18Å; L209-I212 WeakPolarHBondContact O-CB 3.28Å; L209-I212 PolarHBondContact O-N 3Å; L209-Y213 HydrophobicContact CD1-CD2 4.08Å; L209-Y213 HydrophobicContact CD1-CE2 3.57Å; L209-Y213 HydrophobicContact CD2-CE2 4.35Å; L209-Y213 HydrophobicContact CG-CD2 4.1Å; L209-Y213 HydrophobicContact CG-CE2 3.81Å; L209-Y213 WeakPolarHBondContact O-CD2 3.5Å; L209-Y213 PolarHBondContact O-N 3.34Å
210R97.8Very high96.8Very high71 Ų7143.5 Ų43.527%0.26822%0.221SC..Hα-helixtrans-58.1-41.8174.4178.6-176.8174.9-167.3-2.1111.3I193 I206 E207 I212 Y213 L214 I222I193-R210 HydrophobicContact CD1-CB 3.96Å; I206-R210 WeakPolarHBondContact O-CB 3.44Å; I206-R210 PolarHBondContact O-N 3.36Å; E207-R210 IonicContact OE1-CZ 3.81Å; E207-R210 IonicContact OE1-NH1 2.86Å; E207-R210 PolarHBondContact OE1-NH1 2.94Å; E207-R210 IonicContact OE2-NH1 3.94Å; E207-R210 PolarHBondContact OE2-NH1 3.25Å; R210-I212 VanDerWaalsContact C-N 3.31Å; R210-I212 PolarHBondContact O-N 3.38Å; R210-Y213 PolarHBondContact O-N 3.29Å; R210-L214 HydrophobicContact CG-CD1 3.87Å; R210-L214 HydrophobicContact CG-CG 4.11Å; R210-L214 WeakPolarHBondContact O-CB 3.28Å; R210-L214 VanDerWaalsContact O-CG 3.31Å; R210-L214 WeakPolarHBondContact O-CG 3.04Å; R210-L214 PolarHBondContact O-N 3.05Å; R210-I222 HydrophobicContact CG-CD1 4.32Å; R210-I222 HydrophobicContact CG-CG2 4.24Å
211W97.5Very high97.1Very high68 Ų6842.3 Ų42.326%0.25820%0.201SC..Hα-helixtrans-58.5-40.9177.7177.179.5000112.3M1 L2 E27 I28 E207 L209 L214 H215M1-W211 HydrophobicContact SD-CZ2 3.93Å; L2-W211 HydrophobicContact CB-CE3 4.33Å; L2-W211 HydrophobicContact CB-CZ3 4.09Å; E27-W211 HydrophobicContact CG-CH2 4.18Å; I28-W211 HydrophobicContact CD1-CH2 4.4Å; I28-W211 HydrophobicContact CD1-CZ3 3.76Å; I28-W211 HydrophobicContact CG1-CH2 4.49Å; I28-W211 HydrophobicContact CG1-CZ3 4.23Å; E207-W211 VanDerWaalsContact O-CB 3.22Å; E207-W211 WeakPolarHBondContact O-CB 3.09Å; E207-W211 PolarHBondContact O-N 2.9Å; L209-W211 VanDerWaalsContact C-N 3.27Å; L209-W211 PolarHBondContact O-N 2.89Å; W211-L214 PolarHBondContact O-N 3.35Å; W211-H215 AromaticContact CD2-CE1 3.79Å; W211-H215 AromaticContact CE2-CE1 3.54Å; W211-H215 AromaticContact CE3-CE1 3.91Å; W211-H215 AromaticContact CH2-CE1 3.58Å; W211-H215 AromaticContact CH2-NE2 3.78Å; W211-H215 AromaticContact CZ2-CE1 3.44Å; W211-H215 VanDerWaalsContact CZ2-CE1 3.44Å; W211-H215 WeakPolarHBondContact CZ2-CE1 3.49Å; W211-H215 AromaticContact CZ2-NE2 3.6Å; W211-H215 AromaticContact CZ3-CE1 3.82Å; W211-H215 PolarHBondContact O-CE1 2.86Å; W211-H215 VanDerWaalsContact O-CE1 3.25Å; W211-H215 PolarHBondContact O-ND1 2.86Å
212I98.3Very high97.4Very high0 Ų042.7 Ų42.70%020%0.202CC..Hα-helixtrans-55.7-56.8172.4-66.5163.1000109.8L2 V5 I21 I28 M82 M208 L209 R210 L214 H215 W216L2-I212 HydrophobicContact CD2-CD1 3.42Å; L2-I212 VanDerWaalsContact CD2-CD1 3.42Å; L2-I212 HydrophobicContact CD2-CG1 3.77Å; V5-I212 HydrophobicContact CG2-CD1 4.3Å; I21-I212 HydrophobicContact CB-CG2 4.48Å; I21-I212 HydrophobicContact CD1-CG2 4.18Å; I21-I212 HydrophobicContact CG1-CG2 3.91Å; I21-I212 HydrophobicContact CG2-CG2 3.84Å; I28-I212 HydrophobicContact CD1-CG1 3.93Å; M82-I212 HydrophobicContact CE-CD1 4.21Å; M82-I212 HydrophobicContact SD-CD1 3.57Å; M82-I212 VanDerWaalsContact SD-CD1 3.57Å; M208-I212 PolarHBondContact O-N 3.16Å; L209-I212 HydrophobicContact CD1-CD1 4.18Å; L209-I212 WeakPolarHBondContact O-CB 3.28Å; L209-I212 PolarHBondContact O-N 3Å; R210-I212 VanDerWaalsContact C-N 3.31Å; R210-I212 PolarHBondContact O-N 3.38Å; I212-L214 VanDerWaalsContact C-N 3.28Å; I212-L214 PolarHBondContact O-N 3.07Å; I212-H215 WeakPolarHBondContact O-CB 3.23Å; I212-H215 PolarHBondContact O-N 2.93Å; I212-H215 PolarHBondContact O-ND1 2.93Å; I212-W216 HydrophobicContact CG2-CH2 4.21Å; I212-W216 HydrophobicContact CG2-CZ3 4.09Å; I212-W216 VanDerWaalsContact O-CZ3 3.24Å; I212-W216 WeakPolarHBondContact O-CZ3 3.33Å
213Y98.4Very high97.6Very high4 Ų446.7 Ų46.72%0.01622%0.223CC..Hα-helixtrans-63.9-30.9-175.1-72.3-63.7000113.8K127 N172 I191 I193 L209 R210 H215 W216 V217K127-Y213 PolarHBondContact NZ-OH 3.1Å; N172-Y213 PolarHBondContact OD1-OH 3.31Å; I191-Y213 HydrophobicContact CD1-CD1 3.95Å; I191-Y213 HydrophobicContact CD1-CE1 3.73Å; I191-Y213 HydrophobicContact CG1-CD1 3.89Å; I191-Y213 HydrophobicContact CG1-CE1 4.16Å; I191-Y213 HydrophobicContact CG1-CG 4.2Å; I191-Y213 HydrophobicContact CG2-CD1 4.12Å; I191-Y213 HydrophobicContact CG2-CD2 3.53Å; I191-Y213 HydrophobicContact CG2-CE1 4.16Å; I191-Y213 HydrophobicContact CG2-CE2 3.53Å; I191-Y213 HydrophobicContact CG2-CG 3.81Å; I193-Y213 HydrophobicContact CD1-CD2 4.27Å; L209-Y213 HydrophobicContact CD1-CD2 4.08Å; L209-Y213 HydrophobicContact CD1-CE2 3.57Å; L209-Y213 HydrophobicContact CD2-CE2 4.35Å; L209-Y213 HydrophobicContact CG-CD2 4.1Å; L209-Y213 HydrophobicContact CG-CE2 3.81Å; L209-Y213 WeakPolarHBondContact O-CD2 3.5Å; L209-Y213 PolarHBondContact O-N 3.34Å; R210-Y213 PolarHBondContact O-N 3.29Å; Y213-H215 PolarHBondContact O-N 3.41Å; Y213-W216 AromaticContact CD1-CH2 3.59Å; Y213-W216 HydrophobicContact CD1-CH2 3.59Å; Y213-W216 AromaticContact CD1-CZ2 3.63Å; Y213-W216 HydrophobicContact CD1-CZ2 3.63Å; Y213-W216 HydrophobicContact CD1-CZ3 4.48Å; Y213-W216 HydrophobicContact CE1-CH2 4.02Å; Y213-W216 HydrophobicContact CE1-CZ2 4Å; Y213-W216 PolarHBondContact O-N 3.18Å; Y213-V217 HydrophobicContact CD1-CG2 4.4Å; Y213-V217 VanDerWaalsContact O-CB 3.29Å; Y213-V217 WeakPolarHBondContact O-CB 3.4Å; Y213-V217 PolarHBondContact O-N 3.34Å
214L98.2Very high97.7Very high72 Ų7245 Ų4538%0.37722%0.219SC..THydrogen-bonded Turntrans-63.8-9178.2-78.3174.4000114.6R210 W211 I212 W216 A219 I222R210-L214 HydrophobicContact CG-CD1 3.87Å; R210-L214 HydrophobicContact CG-CG 4.11Å; R210-L214 WeakPolarHBondContact O-CB 3.28Å; R210-L214 VanDerWaalsContact O-CG 3.31Å; R210-L214 WeakPolarHBondContact O-CG 3.04Å; R210-L214 PolarHBondContact O-N 3.05Å; W211-L214 PolarHBondContact O-N 3.35Å; I212-L214 VanDerWaalsContact C-N 3.28Å; I212-L214 PolarHBondContact O-N 3.07Å; L214-W216 VanDerWaalsContact C-N 3.26Å; L214-W216 PolarHBondContact O-N 3.24Å; L214-A219 HydrophobicContact CD2-CB 3.84Å; L214-I222 HydrophobicContact CD2-CD1 3.71Å; L214-I222 HydrophobicContact CG-CD1 3.83Å
215H98Very high97.9Very high62 Ų6246.3 Ų46.329%0.28723%0.228SC..THydrogen-bonded Turntrans-67.4-27.5174.1-70.473.1000112.6C25 E27 W211 I212 Y213C25-H215 VanDerWaalsContact SG-CG 3.5Å; E27-H215 IonicContact OE1-CD2 3.08Å; E27-H215 IonicContact OE1-NE2 2.57Å; E27-H215 PolarHBondContact OE1-NE2 3.46Å; W211-H215 AromaticContact CD2-CE1 3.79Å; W211-H215 AromaticContact CE2-CE1 3.54Å; W211-H215 AromaticContact CE3-CE1 3.91Å; W211-H215 AromaticContact CH2-CE1 3.58Å; W211-H215 AromaticContact CH2-NE2 3.78Å; W211-H215 AromaticContact CZ2-CE1 3.44Å; W211-H215 VanDerWaalsContact CZ2-CE1 3.44Å; W211-H215 WeakPolarHBondContact CZ2-CE1 3.49Å; W211-H215 AromaticContact CZ2-NE2 3.6Å; W211-H215 AromaticContact CZ3-CE1 3.82Å; W211-H215 PolarHBondContact O-CE1 2.86Å; W211-H215 VanDerWaalsContact O-CE1 3.25Å; W211-H215 PolarHBondContact O-ND1 2.86Å; I212-H215 WeakPolarHBondContact O-CB 3.23Å; I212-H215 PolarHBondContact O-N 2.93Å; I212-H215 PolarHBondContact O-ND1 2.93Å; Y213-H215 PolarHBondContact O-N 3.41Å
216W98.3Very high97.9Very high40 Ų4049 Ų4915%0.15225%0.246CC..THydrogen-bonded Turntrans-141.6-19.6-179.475.599.1000114.8I20 I21 Y24 L185 I212 Y213 L214I20-W216 HydrophobicContact CG2-CZ2 4.23Å; I21-W216 HydrophobicContact CG1-CH2 3.85Å; Y24-W216 HydrophobicContact CD1-CB 3.41Å; Y24-W216 VanDerWaalsContact CD1-CB 3.41Å; Y24-W216 HydrophobicContact CD1-CD2 4.44Å; Y24-W216 AromaticContact CD1-CG 3.98Å; Y24-W216 HydrophobicContact CD1-CG 3.98Å; Y24-W216 HydrophobicContact CD2-CB 4.01Å; Y24-W216 AromaticContact CD2-CD2 3.56Å; Y24-W216 HydrophobicContact CD2-CD2 3.56Å; Y24-W216 AromaticContact CD2-CE2 3.99Å; Y24-W216 AromaticContact CD2-CE3 3.9Å; Y24-W216 HydrophobicContact CD2-CE3 3.9Å; Y24-W216 AromaticContact CD2-CG 3.61Å; Y24-W216 HydrophobicContact CD2-CG 3.61Å; Y24-W216 HydrophobicContact CE1-CB 3.57Å; Y24-W216 HydrophobicContact CE1-CG 4.14Å; Y24-W216 HydrophobicContact CE2-CB 4.16Å; Y24-W216 AromaticContact CE2-CD1 3.81Å; Y24-W216 HydrophobicContact CE2-CD2 4.16Å; Y24-W216 AromaticContact CE2-CG 3.8Å; Y24-W216 HydrophobicContact CE2-CG 3.8Å; Y24-W216 HydrophobicContact CG-CB 3.64Å; Y24-W216 AromaticContact CG-CD2 3.72Å; Y24-W216 HydrophobicContact CG-CD2 3.72Å; Y24-W216 AromaticContact CG-CE3 3.73Å; Y24-W216 HydrophobicContact CG-CE3 3.73Å; Y24-W216 AromaticContact CG-CG 3.7Å; Y24-W216 HydrophobicContact CG-CG 3.7Å; L185-W216 PolarHBondContact O-NE1 3.3Å; I212-W216 HydrophobicContact CG2-CH2 4.21Å; I212-W216 HydrophobicContact CG2-CZ3 4.09Å; I212-W216 VanDerWaalsContact O-CZ3 3.24Å; I212-W216 WeakPolarHBondContact O-CZ3 3.33Å; Y213-W216 AromaticContact CD1-CH2 3.59Å; Y213-W216 HydrophobicContact CD1-CH2 3.59Å; Y213-W216 AromaticContact CD1-CZ2 3.63Å; Y213-W216 HydrophobicContact CD1-CZ2 3.63Å; Y213-W216 HydrophobicContact CD1-CZ3 4.48Å; Y213-W216 HydrophobicContact CE1-CH2 4.02Å; Y213-W216 HydrophobicContact CE1-CZ2 4Å; Y213-W216 PolarHBondContact O-N 3.18Å; L214-W216 VanDerWaalsContact C-N 3.26Å; L214-W216 PolarHBondContact O-N 3.24Å
217V98.4Very high97.9Very high3 Ų349.9 Ų49.92%0.01825%0.252CS..SBendtrans-93.9124.7-179.7-173.70000110P188 I191 Y213 R221 I222P188-V217 HydrophobicContact CG-CG1 4.01Å; P188-V217 HydrophobicContact CG-CG2 3.7Å; I191-V217 HydrophobicContact CG1-CG1 4.09Å; I191-V217 HydrophobicContact CG1-CG2 4.11Å; Y213-V217 HydrophobicContact CD1-CG2 4.4Å; Y213-V217 VanDerWaalsContact O-CB 3.29Å; Y213-V217 WeakPolarHBondContact O-CB 3.4Å; Y213-V217 PolarHBondContact O-N 3.34Å; V217-R221 HydrophobicContact CG1-CB 3.94Å; V217-I222 HydrophobicContact CB-CD1 4.37Å; V217-I222 HydrophobicContact CB-CG1 4.32Å; V217-I222 HydrophobicContact CG1-CD1 4.45Å; V217-I222 HydrophobicContact CG1-CG1 3.88Å
218P98.1Very high97.8Very high48 Ų4851.2 Ų51.231%0.31225%0.253SS..  trans-57140173-24.534.2000112.2E220 R221P218-E220 HydrophobicContact CB-CG 4.37Å; P218-E220 WeakPolarHBondContact CB-OE1 3.42Å; P218-E220 WeakPolarHBondContact CB-OE2 3.26Å; P218-E220 PolarHBondContact O-N 3.42Å; P218-E220 VanDerWaalsContact O-N 3.15Å; P218-R221 PolarHBondContact O-N 3.05Å
219A98.2Very high97.9Very high48 Ų4852.9 Ų52.940%0.39727%0.267SS..G310 helixtrans-58.3-33.2-172.400000113.2L214 R221 I222L214-A219 HydrophobicContact CD2-CB 3.84Å; A219-R221 PolarHBondContact O-N 3.4Å; A219-I222 PolarHBondContact O-N 3.46Å; A219-I222 VanDerWaalsContact O-N 3.08Å
220E98.2Very high97.9Very high142 Ų14252.9 Ų52.966%0.66427%0.267SS*.G310 helixtrans-65.8-19.4177.767.6-84.7-162.600113.9P218P218-E220 HydrophobicContact CB-CG 4.37Å; P218-E220 WeakPolarHBondContact CB-OE1 3.42Å; P218-E220 WeakPolarHBondContact CB-OE2 3.26Å; P218-E220 PolarHBondContact O-N 3.42Å; P218-E220 VanDerWaalsContact O-N 3.15Å
221R98.4Very high97.8Very high81 Ų8149.7 Ų49.731%0.30626%0.255SS..G310 helixtrans-93.6-3.2174.5-59.7-167.6-168.11684.8112.8N187 P188 R190 I191 V217 P218 A219N187-R221 PolarHBondContact OD1-NH1 3.11Å; P188-R221 VanDerWaalsContact O-CD 3.23Å; P188-R221 WeakPolarHBondContact O-CD 3.5Å; P188-R221 PolarHBondContact O-NH1 3.2Å; P188-R221 VanDerWaalsContact O-NH1 3.11Å; R190-R221 CarbonylContact C-O 3.32Å; R190-R221 VanDerWaalsContact CA-O 3.26Å; R190-R221 WeakPolarHBondContact CA-O 3.24Å; I191-R221 PolarHBondContact N-O 2.78Å; V217-R221 HydrophobicContact CG1-CB 3.94Å; P218-R221 PolarHBondContact O-N 3.05Å; A219-R221 PolarHBondContact O-N 3.4Å
222I98.5Very high97.9Very high14 Ų1450 Ų507%0.07226%0.261CS..EExtended strand (participates in β ladder)trans-97.7104.9175.2-53.4173.9000108.7I191 I193 R210 L214 V217 A219I191-I222 HydrophobicContact CB-CG1 4.37Å; I191-I222 HydrophobicContact CG2-CG2 4.48Å; I191-I222 CarbonylContact O-C 3.52Å; I191-I222 WeakPolarHBondContact O-CA 3.47Å; I193-I222 HydrophobicContact CD1-CG2 3.76Å; I193-I222 HydrophobicContact CG1-CG2 4.35Å; R210-I222 HydrophobicContact CG-CD1 4.32Å; R210-I222 HydrophobicContact CG-CG2 4.24Å; L214-I222 HydrophobicContact CD2-CD1 3.71Å; L214-I222 HydrophobicContact CG-CD1 3.83Å; V217-I222 HydrophobicContact CB-CD1 4.37Å; V217-I222 HydrophobicContact CB-CG1 4.32Å; V217-I222 HydrophobicContact CG1-CD1 4.45Å; V217-I222 HydrophobicContact CG1-CG1 3.88Å; A219-I222 PolarHBondContact O-N 3.46Å; A219-I222 VanDerWaalsContact O-N 3.08Å
223L98.3Very high97.8Very high85 Ų8552.3 Ų52.345%0.44528%0.277SS..EExtended strand (participates in β ladder)trans-96.3123.5-177.7-55.4-178.3000109.9R190 I191 L192 I193R190-L223 HydrophobicContact CB-CD1 4.28Å; I191-L223 PolarHBondContact O-N 3.16Å; L192-L223 WeakPolarHBondContact CA-O 3.3Å; L192-L223 HydrophobicContact CD1-CB 3.69Å; I193-L223 PolarHBondContact N-O 3.38Å
224I98.2Very high97.8Very high76 Ų7652.3 Ų52.339%0.3928%0.277SS..EExtended strand (participates in β ladder)trans-99.5129.2174.8-57.8168.6000108.5I193 I206I193-I224 WeakPolarHBondContact O-CA 3.32Å; I206-I224 HydrophobicContact CD1-CG2 4.21Å; I206-I224 HydrophobicContact CG2-CD1 3.81Å; I206-I224 HydrophobicContact CG2-CG1 4.01Å; I206-I224 HydrophobicContact CG2-CG2 3.92Å
225T97.8Very high97.7Very high47 Ų4748.9 Ų48.929%0.28826%0.26SS..EExtended strand (participates in β ladder)trans-145.4179-180-1680000111.4L192 I193 G194 G195 S229L192-T225 HydrophobicContact CD1-CG2 3.6Å; L192-T225 HydrophobicContact CD2-CG2 4.37Å; L192-T225 HydrophobicContact CG-CG2 3.99Å; I193-T225 PolarHBondContact O-N 3.02Å; G194-T225 VanDerWaalsContact CA-O 3.31Å; G194-T225 WeakPolarHBondContact CA-O 3.44Å; G195-T225 PolarHBondContact N-O 2.98Å; T225-S229 WeakPolarHBondContact OG1-CB 3.4Å
226S97.3Very high97.7Very high55 Ų5547.4 Ų47.439%0.38526%0.258SS..  trans-68.6150.6173.486.90000111.1W228 S229 S230S226-W228 VanDerWaalsContact C-N 3.34Å; S226-W228 PolarHBondContact O-N 2.96Å; S226-S229 PolarHBondContact O-N 3.26Å; S226-S229 VanDerWaalsContact OG-CB 3.3Å; S226-S229 WeakPolarHBondContact OG-CB 3.34Å; S226-S229 PolarHBondContact OG-N 3.25Å; S226-S229 PolarHBondContact OG-OG 3.4Å; S226-S230 PolarHBondContact O-N 2.61Å
227T96.1Very high97.7Very high25 Ų2546.7 Ų46.715%0.15326%0.26CS..Hα-helixtrans-53.3-48.4-179.1-50.10000112.6A135 G195 S230 E231A135-T227 HydrophobicContact CB-CG2 3.42Å; A135-T227 VanDerWaalsContact CB-CG2 3.42Å; G195-T227 WeakPolarHBondContact CA-OG1 3.26Å; T227-S230 WeakPolarHBondContact O-CB 3.41Å; T227-S230 PolarHBondContact O-N 3.22Å; T227-E231 WeakPolarHBondContact O-CG 3.41Å; T227-E231 PolarHBondContact O-N 3.34Å
228W95.5Very high97.6Very high116 Ų11647 Ų4744%0.43926%0.262SS..Hα-helixtrans-70.7-34.8-178.1-59.2-20.2000112.9V132 K133 S226 S230 E231 L232V132-W228 HydrophobicContact CG2-CB 3.76Å; V132-W228 HydrophobicContact CG2-CG 4.3Å; K133-W228 HydrophobicContact CG-CD2 4.25Å; K133-W228 HydrophobicContact CG-CG 4.42Å; K133-W228 HydrophobicContact CG-CZ2 4.37Å; S226-W228 VanDerWaalsContact C-N 3.34Å; S226-W228 PolarHBondContact O-N 2.96Å; W228-S230 VanDerWaalsContact C-N 3.27Å; W228-S230 PolarHBondContact O-N 2.77Å; W228-E231 PolarHBondContact O-N 3.42Å; W228-L232 WeakPolarHBondContact O-CB 3.47Å; W228-L232 PolarHBondContact O-N 2.66Å
229S97.6Very high97.6Very high54 Ų5444.8 Ų44.838%0.37825%0.247SC..Hα-helixtrans-62.4-38.7172-610000111.1T225 S226 S233T225-S229 WeakPolarHBondContact OG1-CB 3.4Å; S226-S229 PolarHBondContact O-N 3.26Å; S226-S229 VanDerWaalsContact OG-CB 3.3Å; S226-S229 WeakPolarHBondContact OG-CB 3.34Å; S226-S229 PolarHBondContact OG-N 3.25Å; S226-S229 PolarHBondContact OG-OG 3.4Å; S229-S233 VanDerWaalsContact O-CB 3.3Å; S229-S233 WeakPolarHBondContact O-CB 3.48Å; S229-S233 PolarHBondContact O-N 3.27Å; S229-S233 PolarHBondContact O-OG 3.33Å
230S98.1Very high97.6Very high0 Ų048.2 Ų48.20%025%0.254CS..Hα-helixtrans-64.5-49.9176.7178.10000112.3S171 P173 G194 S226 T227 W228 L232 S233 K234S171-S230 WeakPolarHBondContact CB-OG 3.17Å; S171-S230 PolarHBondContact O-OG 2.81Å; S171-S230 PolarHBondContact OG-OG 2.79Å; P173-S230 WeakPolarHBondContact CD-OG 3.43Å; G194-S230 VanDerWaalsContact CA-CB 3.44Å; S226-S230 PolarHBondContact O-N 2.61Å; T227-S230 WeakPolarHBondContact O-CB 3.41Å; T227-S230 PolarHBondContact O-N 3.22Å; W228-S230 VanDerWaalsContact C-N 3.27Å; W228-S230 PolarHBondContact O-N 2.77Å; S230-L232 PolarHBondContact O-N 2.83Å; S230-S233 WeakPolarHBondContact O-CB 3.47Å; S230-S233 PolarHBondContact O-N 2.74Å; S230-K234 PolarHBondContact O-N 2.87Å
231E97.4Very high97.6Very high3 Ų344 Ų441%0.01424%0.236CC..Hα-helixtrans-57.5-48.1177.3-67.8171.5143.200111.4V130 K133 A134 A135 T227 W228 S233 K234V130-E231 HydrophobicContact CG2-CG 4.15Å; K133-E231 WeakPolarHBondContact CA-OE2 3.39Å; K133-E231 PolarHBondContact N-OE2 3.39Å; A134-E231 PolarHBondContact N-OE1 3.29Å; A135-E231 WeakPolarHBondContact CB-OE1 3.49Å; A135-E231 PolarHBondContact N-OE1 2.66Å; T227-E231 WeakPolarHBondContact O-CG 3.41Å; T227-E231 PolarHBondContact O-N 3.34Å; W228-E231 PolarHBondContact O-N 3.42Å; E231-S233 VanDerWaalsContact C-N 3.32Å; E231-S233 PolarHBondContact O-N 3.09Å; E231-K234 PolarHBondContact O-N 2.8Å
232L97.8Very high97.6Very high74 Ų7440.2 Ų40.239%0.38722%0.221SC..Hα-helixtrans-65.7-35179.6-176.760.3000112.3V132 W228 S230 K234 L235 A236 L298V132-L232 HydrophobicContact CG2-CB 4.49Å; W228-L232 WeakPolarHBondContact O-CB 3.47Å; W228-L232 PolarHBondContact O-N 2.66Å; S230-L232 PolarHBondContact O-N 2.83Å; L232-K234 PolarHBondContact O-N 3.28Å; L232-L235 PolarHBondContact O-N 3.46Å; L232-A236 WeakPolarHBondContact O-CB 3.41Å; L232-A236 PolarHBondContact O-N 3.12Å; L232-L298 HydrophobicContact CD1-CD1 4.07Å
233S97.9Very high97.6Very high49 Ų4941.2 Ų41.234%0.34323%0.226SC..Hα-helixtrans-60.5-33-179.2-66.70000112.6S229 S230 E231 A237S229-S233 VanDerWaalsContact O-CB 3.3Å; S229-S233 WeakPolarHBondContact O-CB 3.48Å; S229-S233 PolarHBondContact O-N 3.27Å; S229-S233 PolarHBondContact O-OG 3.33Å; S230-S233 WeakPolarHBondContact O-CB 3.47Å; S230-S233 PolarHBondContact O-N 2.74Å; E231-S233 VanDerWaalsContact C-N 3.32Å; E231-S233 PolarHBondContact O-N 3.09Å; S233-A237 VanDerWaalsContact O-CB 3.28Å; S233-A237 WeakPolarHBondContact O-CB 3.43Å; S233-A237 PolarHBondContact O-N 3.1Å
234K96.7Very high97.6Very high4 Ų440.3 Ų40.32%0.01722%0.216CC..Hα-helixtrans-67.8-49.6175.9177.554.5175.6-173.60112.2T129 P173 E174 F175 S230 E231 L232 A236 A237 N238T129-K234 HydrophobicContact CG2-CG 3.71Å; T129-K234 VanDerWaalsContact OG1-CE 3.27Å; T129-K234 WeakPolarHBondContact OG1-CE 3.21Å; P173-K234 HydrophobicContact CB-CB 3.65Å; P173-K234 HydrophobicContact CB-CD 4.28Å; P173-K234 HydrophobicContact CB-CG 4.01Å; P173-K234 HydrophobicContact CG-CB 4.32Å; E174-K234 VanDerWaalsContact O-CD 3.23Å; E174-K234 WeakPolarHBondContact O-CD 3.34Å; E174-K234 WeakPolarHBondContact O-CE 3.49Å; E174-K234 PolarHBondContact O-NZ 3.28Å; E174-K234 WeakPolarHBondContact OE1-CE 3.46Å; E174-K234 IonicContact OE1-NZ 3.67Å; E174-K234 PolarHBondContact OE1-NZ 2.73Å; E174-K234 IonicContact OE2-NZ 3.87Å; E174-K234 PolarHBondContact OE2-NZ 3.47Å; F175-K234 HydrophobicContact CD1-CD 4.06Å; F175-K234 HydrophobicContact CE1-CD 4.02Å; S230-K234 PolarHBondContact O-N 2.87Å; E231-K234 PolarHBondContact O-N 2.8Å; L232-K234 PolarHBondContact O-N 3.28Å; K234-A236 VanDerWaalsContact C-N 3.3Å; K234-A236 PolarHBondContact O-N 3.4Å; K234-A237 PolarHBondContact O-N 3Å; K234-N238 WeakPolarHBondContact CE-ND2 3.4Å; K234-N238 PolarHBondContact O-N 3.41Å; K234-N238 VanDerWaalsContact O-N 3.12Å
235L97.5Very high97.6Very high1 Ų137.4 Ų37.41%0.00520%0.202CC..Hα-helixtrans-60.5-43.8176.5-64.4179.1000111T129 L232 N238 A239 D294 I301T129-L235 HydrophobicContact CG2-CD2 3.78Å; L232-L235 PolarHBondContact O-N 3.46Å; L235-N238 PolarHBondContact O-N 3.42Å; L235-A239 VanDerWaalsContact O-CB 3.29Å; L235-A239 WeakPolarHBondContact O-CB 3.4Å; L235-A239 PolarHBondContact O-N 3.2Å; L235-D294 HydrophobicContact CD2-CB 3.76Å; L235-I301 HydrophobicContact CD1-CD1 3.53Å
236A98Very high97.6Very high30 Ų3035.4 Ų35.425%0.24819%0.189CC..Hα-helixtrans-61.1-47.8176.900000111.6L232 K234 N238 A239 F240L232-A236 WeakPolarHBondContact O-CB 3.41Å; L232-A236 PolarHBondContact O-N 3.12Å; K234-A236 VanDerWaalsContact C-N 3.3Å; K234-A236 PolarHBondContact O-N 3.4Å; A236-N238 PolarHBondContact O-N 3.04Å; A236-A239 PolarHBondContact O-N 3.16Å; A236-F240 WeakPolarHBondContact O-CB 3.36Å; A236-F240 WeakPolarHBondContact O-CD2 3.25Å; A236-F240 PolarHBondContact O-N 3.12Å
237A97.7Very high97.7Very high25 Ų2535.7 Ų35.721%0.20719%0.191CC..Hα-helixtrans-56.8-49.4178.600000111.7F175 S233 K234 A239 F240 L241F175-A237 HydrophobicContact CD1-CB 4.28Å; F175-A237 HydrophobicContact CE1-CB 3.87Å; S233-A237 VanDerWaalsContact O-CB 3.28Å; S233-A237 WeakPolarHBondContact O-CB 3.43Å; S233-A237 PolarHBondContact O-N 3.1Å; K234-A237 PolarHBondContact O-N 3Å; A237-A239 PolarHBondContact O-N 3Å; A237-F240 PolarHBondContact O-N 2.95Å; A237-L241 VanDerWaalsContact O-CG 3.29Å; A237-L241 WeakPolarHBondContact O-CG 3.08Å; A237-L241 PolarHBondContact O-N 3.32Å
238N97.3Very high97.8Very high11 Ų1134.6 Ų34.66%0.05919%0.185CC..Hα-helixtrans-65-38.8179.9-75.8-0.9000112.3K234 L235 A236 L241 A242 F291 D294K234-N238 WeakPolarHBondContact CE-ND2 3.4Å; K234-N238 PolarHBondContact O-N 3.41Å; K234-N238 VanDerWaalsContact O-N 3.12Å; L235-N238 PolarHBondContact O-N 3.42Å; A236-N238 PolarHBondContact O-N 3.04Å; N238-L241 PolarHBondContact O-N 2.88Å; N238-A242 WeakPolarHBondContact O-CB 3.28Å; N238-A242 PolarHBondContact O-N 2.87Å; N238-F291 HydrophobicContact CB-CD1 4.12Å; N238-F291 HydrophobicContact CB-CE1 4.47Å; N238-D294 HydrophobicContact CB-CB 4.24Å; N238-D294 PolarHBondContact ND2-OD2 2.63Å
239A98.1Very high97.9Very high0 Ų029.1 Ų29.10%016%0.164CC..Hα-helixtrans-64.7-41175.900000112.5L235 A236 A237 Q243 I295 L298 W314L235-A239 VanDerWaalsContact O-CB 3.29Å; L235-A239 WeakPolarHBondContact O-CB 3.4Å; L235-A239 PolarHBondContact O-N 3.2Å; A236-A239 PolarHBondContact O-N 3.16Å; A237-A239 PolarHBondContact O-N 3Å; A239-Q243 VanDerWaalsContact O-CB 3.23Å; A239-Q243 WeakPolarHBondContact O-CB 3.48Å; A239-Q243 PolarHBondContact O-N 2.96Å; A239-I295 HydrophobicContact CB-CG1 4.05Å; A239-L298 HydrophobicContact CB-CD2 3.8Å; A239-W314 HydrophobicContact CB-CD2 4.32Å; A239-W314 HydrophobicContact CB-CE3 3.76Å; A239-W314 HydrophobicContact CB-CH2 4.01Å; A239-W314 HydrophobicContact CB-CZ3 3.6Å
240F98.2Very high98Very high121 Ų12128.1 Ų28.153%0.53116%0.159SC..Hα-helixtrans-66.7-41.4176.6-87.8-114.4000112.1A236 A237 Q243 R244 W314A236-F240 WeakPolarHBondContact O-CB 3.36Å; A236-F240 WeakPolarHBondContact O-CD2 3.25Å; A236-F240 PolarHBondContact O-N 3.12Å; A237-F240 PolarHBondContact O-N 2.95Å; F240-Q243 PolarHBondContact O-N 3.41Å; F240-R244 WeakPolarHBondContact O-CG 3.4Å; F240-R244 PolarHBondContact O-N 2.96Å; F240-R244 VanDerWaalsContact O-N 3.07Å; F240-W314 AromaticContact CD2-CH2 3.65Å; F240-W314 HydrophobicContact CD2-CH2 3.65Å; F240-W314 HydrophobicContact CD2-CZ2 4.42Å; F240-W314 HydrophobicContact CD2-CZ3 4.48Å; F240-W314 AromaticContact CE2-CH2 3.6Å; F240-W314 HydrophobicContact CE2-CH2 3.6Å; F240-W314 HydrophobicContact CE2-CZ2 4.04Å; F240-W314 HydrophobicContact CZ-CH2 4.49Å
241L97.6Very high98Very high54 Ų5431.3 Ų31.328%0.28318%0.175SC..Hα-helixtrans-63.2-48.5176.8-66.7173.6000111.5A237 N238 Q243 R244 I245 F279 F291A237-L241 VanDerWaalsContact O-CG 3.29Å; A237-L241 WeakPolarHBondContact O-CG 3.08Å; A237-L241 PolarHBondContact O-N 3.32Å; N238-L241 PolarHBondContact O-N 2.88Å; L241-Q243 VanDerWaalsContact C-N 3.32Å; L241-Q243 PolarHBondContact O-N 3.45Å; L241-R244 WeakPolarHBondContact O-CB 3.35Å; L241-R244 PolarHBondContact O-N 3.05Å; L241-I245 PolarHBondContact O-N 3.03Å; L241-F279 HydrophobicContact CB-CD1 4.42Å; L241-F279 HydrophobicContact CB-CE1 4.22Å; L241-F279 HydrophobicContact CB-CZ 4.4Å; L241-F279 HydrophobicContact CD1-CZ 4.25Å; L241-F279 HydrophobicContact CD2-CD2 3.68Å; L241-F279 HydrophobicContact CD2-CE1 4.44Å; L241-F279 HydrophobicContact CD2-CE2 3.55Å; L241-F279 HydrophobicContact CD2-CG 4.22Å; L241-F279 HydrophobicContact CD2-CZ 3.95Å; L241-F279 HydrophobicContact CG-CE2 4.49Å; L241-F279 HydrophobicContact CG-CZ 4.42Å; L241-F291 HydrophobicContact CB-CE1 3.94Å; L241-F291 HydrophobicContact CB-CZ 3.91Å; L241-F291 HydrophobicContact CD1-CE1 4.25Å; L241-F291 HydrophobicContact CD1-CZ 4.46Å
242A97.9Very high98Very high0 Ų031.1 Ų31.10%017%0.174CC..Hα-helixtrans-62.1-38.9176.100000112.4N238 R244 I245 S246 F286 F291 I295 V317N238-A242 WeakPolarHBondContact O-CB 3.28Å; N238-A242 PolarHBondContact O-N 2.87Å; A242-R244 VanDerWaalsContact C-N 3.33Å; A242-R244 PolarHBondContact O-N 3.39Å; A242-I245 PolarHBondContact O-N 2.74Å; A242-S246 PolarHBondContact O-N 3.32Å; A242-F286 HydrophobicContact CB-CD1 4.34Å; A242-F286 HydrophobicContact CB-CE1 3.86Å; A242-F286 HydrophobicContact CB-CE2 4.2Å; A242-F286 HydrophobicContact CB-CZ 3.79Å; A242-F291 HydrophobicContact CB-CB 4.01Å; A242-F291 HydrophobicContact CB-CD1 4.36Å; A242-F291 HydrophobicContact CB-CD2 4.14Å; A242-F291 HydrophobicContact CB-CG 3.94Å; A242-I295 HydrophobicContact CB-CD1 3.49Å; A242-I295 VanDerWaalsContact CB-CD1 3.49Å; A242-V317 HydrophobicContact CB-CG1 4.27Å
243Q98.4Very high98Very high36 Ų3628.4 Ų28.417%0.16816%0.162CC..Hα-helixtrans-59.1-41.6173.8168.3166.787.900112.3A239 F240 L241 I245 S246 S247 Y313 W314 V317A239-Q243 VanDerWaalsContact O-CB 3.23Å; A239-Q243 WeakPolarHBondContact O-CB 3.48Å; A239-Q243 PolarHBondContact O-N 2.96Å; F240-Q243 PolarHBondContact O-N 3.41Å; L241-Q243 VanDerWaalsContact C-N 3.32Å; L241-Q243 PolarHBondContact O-N 3.45Å; Q243-I245 VanDerWaalsContact C-N 3.34Å; Q243-I245 PolarHBondContact O-N 2.87Å; Q243-S246 PolarHBondContact O-N 2.96Å; Q243-S247 WeakPolarHBondContact O-CB 3.44Å; Q243-S247 PolarHBondContact O-N 3.46Å; Q243-S247 PolarHBondContact O-OG 3.15Å; Q243-Y313 VanDerWaalsContact NE2-CE1 3.33Å; Q243-Y313 PolarHBondContact NE2-OH 3.26Å; Q243-Y313 PolarHBondContact OE1-OH 3.27Å; Q243-W314 HydrophobicContact CB-CZ3 4.45Å; Q243-V317 HydrophobicContact CB-CG1 4.33Å; Q243-V317 HydrophobicContact CB-CG2 3.98Å; Q243-V317 HydrophobicContact CG-CG2 4.34Å
244R98.2Very high98Very high65 Ų6530.7 Ų30.725%0.24517%0.17CC..Hα-helixtrans-61.3-43.3177.4-70.6178.468.591.7-0.6111.7F240 L241 A242 S247 I248 I275 G276 H278 F279F240-R244 WeakPolarHBondContact O-CG 3.4Å; F240-R244 PolarHBondContact O-N 2.96Å; F240-R244 VanDerWaalsContact O-N 3.07Å; L241-R244 WeakPolarHBondContact O-CB 3.35Å; L241-R244 PolarHBondContact O-N 3.05Å; A242-R244 VanDerWaalsContact C-N 3.33Å; A242-R244 PolarHBondContact O-N 3.39Å; R244-S247 WeakPolarHBondContact O-CB 3.31Å; R244-S247 PolarHBondContact O-N 3.44Å; R244-I248 PolarHBondContact O-N 2.94Å; R244-I275 PolarHBondContact NH1-O 2.86Å; R244-I275 PolarHBondContact NH2-O 3.34Å; R244-G276 PolarHBondContact NH2-O 3.22Å; R244-H278 PolarHBondContact NE-O 3.22Å; R244-H278 PolarHBondContact NH2-O 3.07Å; R244-F279 CarbonylContact C-O 3.55Å; R244-F279 HydrophobicContact CB-CB 3.85Å
245I98.2Very high98.1Very high16 Ų1630.7 Ų30.78%0.08217%0.17CC..Hα-helixtrans-61.1-49.4175.6-56.7171.6000110.6L241 A242 Q243 S247 I248 N249 F279 F286 F291L241-I245 PolarHBondContact O-N 3.03Å; A242-I245 PolarHBondContact O-N 2.74Å; Q243-I245 VanDerWaalsContact C-N 3.34Å; Q243-I245 PolarHBondContact O-N 2.87Å; I245-S247 PolarHBondContact O-N 2.87Å; I245-I248 VanDerWaalsContact O-CG2 3.31Å; I245-I248 WeakPolarHBondContact O-CG2 3.26Å; I245-I248 PolarHBondContact O-N 3.48Å; I245-N249 WeakPolarHBondContact O-CB 3.4Å; I245-N249 VanDerWaalsContact O-CG 3.23Å; I245-N249 PolarHBondContact O-N 3.48Å; I245-N249 PolarHBondContact O-ND2 3.27Å; I245-F279 HydrophobicContact CD1-CD1 3.67Å; I245-F279 HydrophobicContact CD1-CE1 4.07Å; I245-F279 HydrophobicContact CG1-CB 4.28Å; I245-F279 HydrophobicContact CG1-CD1 3.63Å; I245-F279 HydrophobicContact CG1-CG 4.46Å; I245-F286 HydrophobicContact CB-CD1 3.96Å; I245-F286 HydrophobicContact CD1-CB 3.64Å; I245-F286 HydrophobicContact CD1-CD1 4.2Å; I245-F286 HydrophobicContact CD1-CG 4.25Å; I245-F286 HydrophobicContact CG2-CB 4.23Å; I245-F286 HydrophobicContact CG2-CD1 3.94Å; I245-F291 HydrophobicContact CD1-CD2 4.34Å; I245-F291 HydrophobicContact CD1-CE2 3.72Å
246S98.6Very high98Very high4 Ų432.3 Ų32.33%0.02818%0.178CC..Hα-helixtrans-60.8-35.9176.7-74.80000112.4A242 Q243 A250 F286 V317 M320A242-S246 PolarHBondContact O-N 3.32Å; Q243-S246 PolarHBondContact O-N 2.96Å; S246-A250 WeakPolarHBondContact O-CB 3.48Å; S246-A250 PolarHBondContact O-N 3.43Å; S246-F286 WeakPolarHBondContact OG-CE1 3.46Å; S246-V317 PolarHBondContact OG-O 2.89Å; S246-M320 WeakPolarHBondContact O-CG 3.38Å
247S98.6Very high97.8Very high61 Ų6138.5 Ų38.543%0.42720%0.202SC..Hα-helixtrans-65.8-50.2179-57.90000111.1Q243 R244 I245 N249 A250 I251Q243-S247 WeakPolarHBondContact O-CB 3.44Å; Q243-S247 PolarHBondContact O-N 3.46Å; Q243-S247 PolarHBondContact O-OG 3.15Å; R244-S247 WeakPolarHBondContact O-CB 3.31Å; R244-S247 PolarHBondContact O-N 3.44Å; I245-S247 PolarHBondContact O-N 2.87Å; S247-N249 VanDerWaalsContact C-N 3.31Å; S247-N249 PolarHBondContact O-N 3.44Å; S247-A250 WeakPolarHBondContact O-CB 3.43Å; S247-A250 PolarHBondContact O-N 2.78Å; S247-I251 WeakPolarHBondContact O-CG1 3.32Å; S247-I251 PolarHBondContact O-N 2.97Å; S247-I251 VanDerWaalsContact O-N 3.13Å
248I98.5Very high97.7Very high3 Ų341.2 Ų41.22%0.01522%0.216CC..Hα-helixtrans-67.5-33.7178.6-165.270.5000112R244 I245 I251 S252 I262 L280 A282R244-I248 PolarHBondContact O-N 2.94Å; I245-I248 VanDerWaalsContact O-CG2 3.31Å; I245-I248 WeakPolarHBondContact O-CG2 3.26Å; I245-I248 PolarHBondContact O-N 3.48Å; I248-I251 PolarHBondContact O-N 3.44Å; I248-S252 PolarHBondContact O-N 3.32Å; I248-I262 HydrophobicContact CD1-CD1 3.61Å; I248-I262 HydrophobicContact CD1-CG1 4.32Å; I248-I262 HydrophobicContact CG1-CD1 3.92Å; I248-I262 HydrophobicContact CG1-CG1 4.23Å; I248-L280 HydrophobicContact CB-CD2 4.44Å; I248-L280 WeakPolarHBondContact CG1-O 3.36Å; I248-A282 HydrophobicContact CG1-CB 4.3Å
249N98.5Very high97.5Very high0 Ų047.4 Ų47.40%025%0.249CC..Hα-helixtrans-64.9-38.8174-75.2-13.9000111.9I245 S247 I251 S252 A253 A282 S283 Q324I245-N249 WeakPolarHBondContact O-CB 3.4Å; I245-N249 VanDerWaalsContact O-CG 3.23Å; I245-N249 PolarHBondContact O-N 3.48Å; I245-N249 PolarHBondContact O-ND2 3.27Å; S247-N249 VanDerWaalsContact C-N 3.31Å; S247-N249 PolarHBondContact O-N 3.44Å; N249-I251 VanDerWaalsContact C-N 3.33Å; N249-I251 PolarHBondContact O-N 3Å; N249-S252 WeakPolarHBondContact O-CB 3.18Å; N249-S252 PolarHBondContact O-N 3.06Å; N249-S252 PolarHBondContact O-OG 3.25Å; N249-A253 PolarHBondContact O-N 3.39Å; N249-A282 WeakPolarHBondContact OD1-CA 3.29Å; N249-S283 PolarHBondContact ND2-O 2.68Å; N249-S283 PolarHBondContact OD1-N 2.71Å; N249-S283 PolarHBondContact OD1-O 2.69Å; N249-Q324 HydrophobicContact CB-CB 4.33Å; N249-Q324 HydrophobicContact CB-CG 3.96Å
250A98.5Very high97.5Very high34 Ų3449.2 Ų49.228%0.28126%0.264SS..Hα-helixtrans-61.8-41.5172.800000111.8S246 S247 S252 A253 M320S246-A250 WeakPolarHBondContact O-CB 3.48Å; S246-A250 PolarHBondContact O-N 3.43Å; S247-A250 WeakPolarHBondContact O-CB 3.43Å; S247-A250 PolarHBondContact O-N 2.78Å; A250-S252 VanDerWaalsContact C-N 3.33Å; A250-S252 PolarHBondContact O-N 3.31Å; A250-A253 PolarHBondContact O-N 2.85Å; A250-M320 HydrophobicContact CB-CG 4.15Å; A250-M320 HydrophobicContact CB-SD 3.87Å
251I98.5Very high97.4Very high66 Ų6645.7 Ų45.734%0.33825%0.25SS..Hα-helixtrans-66-35.6174.7-59.8-57.7000111.5S247 I248 N249 A253 I254 C255 I262 V265S247-I251 WeakPolarHBondContact O-CG1 3.32Å; S247-I251 PolarHBondContact O-N 2.97Å; S247-I251 VanDerWaalsContact O-N 3.13Å; I248-I251 PolarHBondContact O-N 3.44Å; N249-I251 VanDerWaalsContact C-N 3.33Å; N249-I251 PolarHBondContact O-N 3Å; I251-A253 PolarHBondContact O-N 3.14Å; I251-I254 HydrophobicContact CD1-CD1 4.33Å; I251-I254 WeakPolarHBondContact O-CB 3.28Å; I251-I254 PolarHBondContact O-N 3.33Å; I251-C255 PolarHBondContact O-N 2.75Å; I251-C255 PolarHBondContact O-SG 3.41Å; I251-I262 HydrophobicContact CB-CD1 4.1Å; I251-I262 HydrophobicContact CG2-CD1 3.75Å; I251-V265 HydrophobicContact CG2-CG1 3.94Å
252S98.2Very high97.4Very high0 Ų043.2 Ų43.20%024%0.237CC..Hα-helixtrans-58.2-37.517780.60000112.2I248 N249 A250 I254 C255 E256 Q324 R327 G473I248-S252 PolarHBondContact O-N 3.32Å; N249-S252 WeakPolarHBondContact O-CB 3.18Å; N249-S252 PolarHBondContact O-N 3.06Å; N249-S252 PolarHBondContact O-OG 3.25Å; A250-S252 VanDerWaalsContact C-N 3.33Å; A250-S252 PolarHBondContact O-N 3.31Å; S252-I254 VanDerWaalsContact C-N 3.3Å; S252-I254 PolarHBondContact O-N 2.88Å; S252-C255 WeakPolarHBondContact O-CB 3.15Å; S252-C255 PolarHBondContact O-N 2.77Å; S252-E256 WeakPolarHBondContact O-CG 3.29Å; S252-E256 PolarHBondContact O-N 2.83Å; S252-E256 VanDerWaalsContact O-N 3.14Å; S252-Q324 PolarHBondContact OG-NE2 3.02Å; S252-R327 PolarHBondContact OG-NH2 3.41Å; S252-G473 WeakPolarHBondContact O-CA 3.22Å
253A97.8Very high97.4Very high16 Ų1648 Ų4813%0.13226%0.258CS..Hα-helixtrans-64.1-3417600000112.8N249 A250 I251 Q257N249-A253 PolarHBondContact O-N 3.39Å; A250-A253 PolarHBondContact O-N 2.85Å; I251-A253 PolarHBondContact O-N 3.14Å; A253-Q257 WeakPolarHBondContact O-CG 3.38Å
254I97.9Very high97.3Very high98 Ų9852.9 Ų52.950%0.50328%0.281SS..Hα-helixtrans-70.8-41.8174.5-61.3172.2000110.3I251 S252 E256 Q257 T258I251-I254 HydrophobicContact CD1-CD1 4.33Å; I251-I254 WeakPolarHBondContact O-CB 3.28Å; I251-I254 PolarHBondContact O-N 3.33Å; S252-I254 VanDerWaalsContact C-N 3.3Å; S252-I254 PolarHBondContact O-N 2.88Å; I254-E256 VanDerWaalsContact C-N 3.31Å; I254-E256 PolarHBondContact O-N 3.3Å; I254-Q257 PolarHBondContact O-N 3.23Å; I254-Q257 VanDerWaalsContact O-N 3.1Å; I254-T258 HydrophobicContact CG2-CG2 4.09Å; I254-T258 WeakPolarHBondContact O-CG2 3.44Å; I254-T258 PolarHBondContact O-N 3.25Å; I254-T258 PolarHBondContact O-OG1 2.73Å
255C97.8Very high97.3Very high4 Ų452 Ų523%0.02728%0.283CS..Hα-helixtrans-58-45.2-179.1-65.60000111.5I251 S252 Q257 T258 N259 A260 I262 G473I251-C255 PolarHBondContact O-N 2.75Å; I251-C255 PolarHBondContact O-SG 3.41Å; S252-C255 WeakPolarHBondContact O-CB 3.15Å; S252-C255 PolarHBondContact O-N 2.77Å; C255-Q257 PolarHBondContact O-N 2.71Å; C255-T258 PolarHBondContact O-N 2.98Å; C255-T258 VanDerWaalsContact O-N 3.14Å; C255-T258 PolarHBondContact O-OG1 2.8Å; C255-N259 PolarHBondContact O-N 3.16Å; C255-N259 VanDerWaalsContact O-N 3.17Å; C255-A260 CarbonylContact C-O 3.57Å; C255-A260 HydrophobicContact CB-CB 4.27Å; C255-A260 WeakPolarHBondContact CB-O 3.5Å; C255-A260 PolarHBondContact O-N 2.82Å; C255-I262 HydrophobicContact CB-CB 4.41Å; C255-G473 WeakPolarHBondContact CB-O 3.22Å
256E95.2Very high97.3Very high34 Ų3452 Ų5216%0.15928%0.284CS..Hα-helixtrans-60.7-27.8177.4-69.1169.9-140.900114S252 I254 R327 G473S252-E256 WeakPolarHBondContact O-CG 3.29Å; S252-E256 PolarHBondContact O-N 2.83Å; S252-E256 VanDerWaalsContact O-N 3.14Å; I254-E256 VanDerWaalsContact C-N 3.31Å; I254-E256 PolarHBondContact O-N 3.3Å; E256-R327 IonicContact OE1-CZ 2.66Å; E256-R327 VanDerWaalsContact OE1-CZ 3.3Å; E256-R327 IonicContact OE1-NH1 3.09Å; E256-R327 PolarHBondContact OE1-NH1 3.39Å; E256-R327 IonicContact OE1-NH2 3.97Å; E256-R327 PolarHBondContact OE1-NH2 3Å; E256-R327 IonicContact OE2-CZ 3.77Å; E256-R327 IonicContact OE2-NH1 3.41Å; E256-R327 PolarHBondContact OE2-NH1 3.47Å; E256-R327 IonicContact OE2-NH2 2.71Å; E256-G473 PolarHBondContact OE1-N 3.48Å
257Q95.1Very high97.3Very high160 Ų16059.2 Ų59.275%0.74832%0.315SS*.Hα-helixtrans-92.1-11.4179.8-62.1-58.7-59.600113.7A253 I254 C255A253-Q257 WeakPolarHBondContact O-CG 3.38Å; I254-Q257 PolarHBondContact O-N 3.23Å; I254-Q257 VanDerWaalsContact O-N 3.1Å; C255-Q257 PolarHBondContact O-N 2.71Å
258T95.5Very high97.3Very high83 Ų8359.4 Ų59.451%0.50932%0.32SS..Hα-helixtrans-118.8-0.5-17154.40000113.7I254 C255 A260I254-T258 HydrophobicContact CG2-CG2 4.09Å; I254-T258 WeakPolarHBondContact O-CG2 3.44Å; I254-T258 PolarHBondContact O-N 3.25Å; I254-T258 PolarHBondContact O-OG1 2.73Å; C255-T258 PolarHBondContact O-N 2.98Å; C255-T258 VanDerWaalsContact O-N 3.14Å; C255-T258 PolarHBondContact O-OG1 2.8Å; T258-A260 PolarHBondContact O-N 3.13Å
259N93.4Very high97.3Very high140 Ų14062.4 Ų62.475%0.74934%0.336SS*.THydrogen-bonded Turntrans61.317.3-169-59.3-39.8000114.3C255 A475C255-N259 PolarHBondContact O-N 3.16Å; C255-N259 VanDerWaalsContact O-N 3.17Å; N259-A475 HydrophobicContact CB-CB 4.36Å; N259-A475 WeakPolarHBondContact OD1-CB 3.36Å
260A96.7Very high97.3Very high38 Ų3862.8 Ų62.831%0.31434%0.34SS..  trans-77.9155.6168.400000110.5C255 T258C255-A260 CarbonylContact C-O 3.57Å; C255-A260 HydrophobicContact CB-CB 4.27Å; C255-A260 WeakPolarHBondContact CB-O 3.5Å; C255-A260 PolarHBondContact O-N 2.82Å; T258-A260 PolarHBondContact O-N 3.13Å
261D96.2Very high97.2Very high47 Ų4766.6 Ų66.625%0.25136%0.36SS..  trans-103.8120.9175.7-175.6-22.3000110.5K263 E264 V265D261-K263 PolarHBondContact O-N 2.95Å; D261-K263 WeakPolarHBondContact OD1-CB 3.23Å; D261-K263 PolarHBondContact OD1-N 3.29Å; D261-E264 HydrophobicContact CB-CB 4.32Å; D261-E264 HydrophobicContact CB-CG 4.04Å; D261-E264 PolarHBondContact O-N 2.91Å; D261-E264 VanDerWaalsContact O-N 3.12Å; D261-V265 WeakPolarHBondContact O-CG2 3.4Å; D261-V265 PolarHBondContact O-N 3Å
262I97.9Very high97.2Very high2 Ų265.6 Ų65.61%0.0136%0.355CS..Hα-helixtrans-59.8-30179.1-167.155.1000113.8I248 I251 C255 S266 A282 I455 G473I248-I262 HydrophobicContact CD1-CD1 3.61Å; I248-I262 HydrophobicContact CD1-CG1 4.32Å; I248-I262 HydrophobicContact CG1-CD1 3.92Å; I248-I262 HydrophobicContact CG1-CG1 4.23Å; I251-I262 HydrophobicContact CB-CD1 4.1Å; I251-I262 HydrophobicContact CG2-CD1 3.75Å; C255-I262 HydrophobicContact CB-CB 4.41Å; I262-S266 WeakPolarHBondContact O-CB 3.49Å; I262-S266 PolarHBondContact O-N 3.15Å; I262-A282 HydrophobicContact CG1-CB 3.56Å; I262-A282 HydrophobicContact CG2-CB 4.22Å; I262-I455 HydrophobicContact CG2-CD1 3.49Å; I262-I455 VanDerWaalsContact CG2-CD1 3.49Å; I262-G473 PolarHBondContact N-O 2.89Å
263K97Very high97.1Very high100 Ų10073.8 Ų73.844%0.43539%0.393SS..Hα-helixtrans-68-39.7176.3-75.3177.9165.6168.70111D261 K267 I455D261-K263 PolarHBondContact O-N 2.95Å; D261-K263 WeakPolarHBondContact OD1-CB 3.23Å; D261-K263 PolarHBondContact OD1-N 3.29Å; K263-K267 VanDerWaalsContact O-CB 3.24Å; K263-K267 WeakPolarHBondContact O-CB 3.25Å; K263-K267 PolarHBondContact O-N 3.1Å; K263-I455 HydrophobicContact CD-CG2 4.05Å; K263-I455 WeakPolarHBondContact CE-O 3.16Å; K263-I455 HydrophobicContact CG-CG2 4.42Å; K263-I455 PolarHBondContact NZ-O 3.41Å
264E97.7Very high97.1Very high140 Ų14082.2 Ų82.265%0.65442%0.421SS*.Hα-helixtrans-66.9-45.9175.5-66.2-170.1175.600111.1D261 K267 A268D261-E264 HydrophobicContact CB-CB 4.32Å; D261-E264 HydrophobicContact CB-CG 4.04Å; D261-E264 PolarHBondContact O-N 2.91Å; D261-E264 VanDerWaalsContact O-N 3.12Å; E264-K267 PolarHBondContact O-N 2.84Å; E264-A268 WeakPolarHBondContact O-CB 3.3Å; E264-A268 PolarHBondContact O-N 3.03Å
265V98.2Very high97.1Very high46 Ų4680.9 Ų80.928%0.27941%0.414SS..Hα-helixtrans-61.5-48.7177.6176.30000111I251 D261 K267 A268 I269I251-V265 HydrophobicContact CG2-CG1 3.94Å; D261-V265 WeakPolarHBondContact O-CG2 3.4Å; D261-V265 PolarHBondContact O-N 3Å; V265-K267 PolarHBondContact O-N 2.59Å; V265-A268 PolarHBondContact O-N 3.44Å; V265-I269 WeakPolarHBondContact O-CG1 3.48Å; V265-I269 PolarHBondContact O-N 2.81Å
266S98Very high97Very high15 Ų1581.4 Ų81.411%0.10542%0.421CS..Hα-helixtrans-56.8-47.7177.1173.80000111.7I262 G270 L280I262-S266 WeakPolarHBondContact O-CB 3.49Å; I262-S266 PolarHBondContact O-N 3.15Å; S266-G270 WeakPolarHBondContact O-CA 3.09Å; S266-G270 PolarHBondContact O-N 2.9Å; S266-L280 VanDerWaalsContact CB-O 3.28Å; S266-L280 WeakPolarHBondContact CB-O 3.44Å; S266-L280 WeakPolarHBondContact OG-CB 3.27Å; S266-L280 PolarHBondContact OG-O 3.34Å
267K98.2Very high97.1Very high157 Ų15783.6 Ų83.668%0.68344%0.438SS*.Hα-helixtrans-61.3-46.5176.3-176.8179.2179.4-178.10111.4K263 E264 V265 G270 T271K263-K267 VanDerWaalsContact O-CB 3.24Å; K263-K267 WeakPolarHBondContact O-CB 3.25Å; K263-K267 PolarHBondContact O-N 3.1Å; E264-K267 PolarHBondContact O-N 2.84Å; V265-K267 PolarHBondContact O-N 2.59Å; K267-G270 PolarHBondContact O-N 2.69Å; K267-T271 WeakPolarHBondContact O-CG2 3.48Å; K267-T271 PolarHBondContact O-N 3.08Å
268A98.3Very high97.1Very high65 Ų6582.7 Ų82.754%0.53743%0.433SS..Hα-helixtrans-58.7-51.7-178.800000111.5E264 V265 T271E264-A268 WeakPolarHBondContact O-CB 3.3Å; E264-A268 PolarHBondContact O-N 3.03Å; V265-A268 PolarHBondContact O-N 3.44Å; A268-T271 PolarHBondContact O-OG1 2.89Å
269I98.2Very high97.2Very high65 Ų6582.7 Ų82.733%0.33343%0.426SS..Hα-helixtrans-73.6-31.2-17971.9177.7000112.6V265 T271 D272 I275 L280V265-I269 WeakPolarHBondContact O-CG1 3.48Å; V265-I269 PolarHBondContact O-N 2.81Å; I269-T271 VanDerWaalsContact C-N 3.27Å; I269-T271 PolarHBondContact O-N 2.8Å; I269-D272 WeakPolarHBondContact O-CB 3.49Å; I269-D272 PolarHBondContact O-N 3.38Å; I269-I275 HydrophobicContact CB-CD1 4.26Å; I269-L280 HydrophobicContact CD1-CD1 4.22Å; I269-L280 HydrophobicContact CD1-CD2 4.46Å; I269-L280 HydrophobicContact CG1-CD1 3.95Å
270G98Very high97.4Very high8 Ų876.5 Ų76.58%0.08239%0.393CS..Hα-helixtrans-71.5-18.3-17800000114.2S266 K267 D272 G276S266-G270 WeakPolarHBondContact O-CA 3.09Å; S266-G270 PolarHBondContact O-N 2.9Å; K267-G270 PolarHBondContact O-N 2.69Å; G270-D272 PolarHBondContact O-N 2.66Å; G270-G276 CarbonylContact O-C 3.36Å
271T97.8Very high97.3Very high115 Ų11581 Ų8171%0.70641%0.412SS*.THydrogen-bonded Turntrans-70.7-17.9172.659.10000113.3K267 A268 I269 H273K267-T271 WeakPolarHBondContact O-CG2 3.48Å; K267-T271 PolarHBondContact O-N 3.08Å; A268-T271 PolarHBondContact O-OG1 2.89Å; I269-T271 VanDerWaalsContact C-N 3.27Å; I269-T271 PolarHBondContact O-N 2.8Å; T271-H273 PolarHBondContact O-N 2.8Å
272D98.1Very high97.4Very high44 Ų4478.9 Ų78.924%0.23540%0.401CS..SBendtrans-73.8116172.7-167.6-50.7000109.9I269 G270 R274 I275 G276I269-D272 WeakPolarHBondContact O-CB 3.49Å; I269-D272 PolarHBondContact O-N 3.38Å; G270-D272 PolarHBondContact O-N 2.66Å; D272-R274 PolarHBondContact O-N 3.14Å; D272-R274 VanDerWaalsContact OD1-CB 3.24Å; D272-R274 WeakPolarHBondContact OD1-CB 3.42Å; D272-R274 WeakPolarHBondContact OD1-CG 3.46Å; D272-R274 IonicContact OD1-CZ 3.34Å; D272-R274 PolarHBondContact OD1-N 2.89Å; D272-R274 IonicContact OD1-NE 3.68Å; D272-R274 PolarHBondContact OD1-NE 2.88Å; D272-R274 IonicContact OD1-NH2 3.42Å; D272-R274 IonicContact OD2-CZ 3.05Å; D272-R274 IonicContact OD2-NE 3.87Å; D272-R274 PolarHBondContact OD2-NE 2.94Å; D272-R274 IonicContact OD2-NH2 3.84Å; D272-R274 PolarHBondContact OD2-NH2 2.53Å; D272-I275 HydrophobicContact CB-CB 4.42Å; D272-I275 HydrophobicContact CB-CD1 4.27Å; D272-I275 HydrophobicContact CB-CG1 4.31Å; D272-I275 CarbonylContact O-C 3.43Å; D272-I275 PolarHBondContact O-N 3.43Å; D272-G276 PolarHBondContact O-N 2.95Å
273H96.9Very high97.4Very high172 Ų17279.3 Ų79.380%0.79640%0.404SS*.THydrogen-bonded Turntrans-59.1-19.9-178.369.6-82.2000114.4T271 I275T271-H273 PolarHBondContact O-N 2.8Å; H273-I275 VanDerWaalsContact C-N 3.33Å
274R97.4Very high97.4Very high194 Ų19474.5 Ų74.573%0.73238%0.383SS*.THydrogen-bonded Turntrans-77-24.2175.3-55.7169.7-67.6175.70.4111.9D272D272-R274 PolarHBondContact O-N 3.14Å; D272-R274 VanDerWaalsContact OD1-CB 3.24Å; D272-R274 WeakPolarHBondContact OD1-CB 3.42Å; D272-R274 WeakPolarHBondContact OD1-CG 3.46Å; D272-R274 IonicContact OD1-CZ 3.34Å; D272-R274 PolarHBondContact OD1-N 2.89Å; D272-R274 IonicContact OD1-NE 3.68Å; D272-R274 PolarHBondContact OD1-NE 2.88Å; D272-R274 IonicContact OD1-NH2 3.42Å; D272-R274 IonicContact OD2-CZ 3.05Å; D272-R274 IonicContact OD2-NE 3.87Å; D272-R274 PolarHBondContact OD2-NE 2.94Å; D272-R274 IonicContact OD2-NH2 3.84Å; D272-R274 PolarHBondContact OD2-NH2 2.53Å
275I96.7Very high97.3Very high70 Ų7067.9 Ų67.936%0.35935%0.352SS..THydrogen-bonded Turntrans-98-51.3177.9-59.5177.3000109.8R244 I269 D272 H273 L280R244-I275 PolarHBondContact NH1-O 2.86Å; R244-I275 PolarHBondContact NH2-O 3.34Å; I269-I275 HydrophobicContact CB-CD1 4.26Å; D272-I275 HydrophobicContact CB-CB 4.42Å; D272-I275 HydrophobicContact CB-CD1 4.27Å; D272-I275 HydrophobicContact CB-CG1 4.31Å; D272-I275 CarbonylContact O-C 3.43Å; D272-I275 PolarHBondContact O-N 3.43Å; H273-I275 VanDerWaalsContact C-N 3.33Å; I275-L280 HydrophobicContact CG2-CD1 4.13Å
276G97.1Very high97.2Very high15 Ų1566.2 Ų66.216%0.15534%0.341CS..  trans71.4162.4-175.700000114R244 G270 D272 L280R244-G276 PolarHBondContact NH2-O 3.22Å; G270-G276 CarbonylContact O-C 3.36Å; D272-G276 PolarHBondContact O-N 2.95Å; G276-L280 WeakPolarHBondContact O-CD1 3.3Å
277P96.7Very high97.1Very high80 Ų8065.9 Ų65.952%0.51934%0.34SS..SBendtrans-83.5-15.2-171.532.9-37000114.4
278H95.9Very high96.8Very high140 Ų14058.5 Ų58.565%0.64831%0.309SS*.THydrogen-bonded Turntrans-75.4146.6-170.7-57.9-72.1000112.5R244 L280R244-H278 PolarHBondContact NE-O 3.22Å; R244-H278 PolarHBondContact NH2-O 3.07Å; H278-L280 PolarHBondContact O-N 2.82Å
279F96.1Very high96.3Very high83 Ų8356.7 Ų56.736%0.36429%0.292SS..THydrogen-bonded Turntrans59.126.6-178.8-67.3-95.9000114.3L241 R244 I245 F291L241-F279 HydrophobicContact CB-CD1 4.42Å; L241-F279 HydrophobicContact CB-CE1 4.22Å; L241-F279 HydrophobicContact CB-CZ 4.4Å; L241-F279 HydrophobicContact CD1-CZ 4.25Å; L241-F279 HydrophobicContact CD2-CD2 3.68Å; L241-F279 HydrophobicContact CD2-CE1 4.44Å; L241-F279 HydrophobicContact CD2-CE2 3.55Å; L241-F279 HydrophobicContact CD2-CG 4.22Å; L241-F279 HydrophobicContact CD2-CZ 3.95Å; L241-F279 HydrophobicContact CG-CE2 4.49Å; L241-F279 HydrophobicContact CG-CZ 4.42Å; R244-F279 CarbonylContact C-O 3.55Å; R244-F279 HydrophobicContact CB-CB 3.85Å; I245-F279 HydrophobicContact CD1-CD1 3.67Å; I245-F279 HydrophobicContact CD1-CE1 4.07Å; I245-F279 HydrophobicContact CG1-CB 4.28Å; I245-F279 HydrophobicContact CG1-CD1 3.63Å; I245-F279 HydrophobicContact CG1-CG 4.46Å; F279-F291 HydrophobicContact CE1-CE2 4.33Å; F279-F291 AromaticContact CE1-CZ 3.97Å; F279-F291 HydrophobicContact CE1-CZ 3.97Å
280L97.3Very high96Very high10 Ų1055.3 Ų55.35%0.05229%0.288CS..  trans-11020.5174.6-59.3-178.2000112.7I248 S266 I269 I275 G276 H278I248-L280 HydrophobicContact CB-CD2 4.44Å; I248-L280 WeakPolarHBondContact CG1-O 3.36Å; S266-L280 VanDerWaalsContact CB-O 3.28Å; S266-L280 WeakPolarHBondContact CB-O 3.44Å; S266-L280 WeakPolarHBondContact OG-CB 3.27Å; S266-L280 PolarHBondContact OG-O 3.34Å; I269-L280 HydrophobicContact CD1-CD1 4.22Å; I269-L280 HydrophobicContact CD1-CD2 4.46Å; I269-L280 HydrophobicContact CG1-CD1 3.95Å; I275-L280 HydrophobicContact CG2-CD1 4.13Å; G276-L280 WeakPolarHBondContact O-CD1 3.3Å; H278-L280 PolarHBondContact O-N 2.82Å
281N96.5Very high95.9Very high132 Ų13256.5 Ų56.571%0.70629%0.291SS*.  trans-90.6111.2170.3-66.1-25.7000108.1
282A97.6Very high95.8Very high4 Ų455.3 Ų55.33%0.03327%0.273CS..  trans-62.8142.8172.500000110.3I248 N249 I262 I455 I472I248-A282 HydrophobicContact CG1-CB 4.3Å; N249-A282 WeakPolarHBondContact OD1-CA 3.29Å; I262-A282 HydrophobicContact CG1-CB 3.56Å; I262-A282 HydrophobicContact CG2-CB 4.22Å; A282-I455 HydrophobicContact CB-CD1 4.06Å; A282-I472 HydrophobicContact CB-CG2 4.01Å
283S97.3Very high95.7Very high10 Ų1054.5 Ų54.57%0.0727%0.268CS..  trans-157.4176.5-172600000111.2N249 G285 Q324 G453 I472N249-S283 PolarHBondContact ND2-O 2.68Å; N249-S283 PolarHBondContact OD1-N 2.71Å; N249-S283 PolarHBondContact OD1-O 2.69Å; S283-G285 PolarHBondContact O-N 3.11Å; S283-G285 VanDerWaalsContact O-N 3.08Å; S283-Q324 WeakPolarHBondContact O-CG 3.42Å; S283-Q324 PolarHBondContact O-NE2 3.16Å; S283-G453 CarbonylContact C-O 3.6Å; S283-G453 VanDerWaalsContact CA-O 3.23Å; S283-G453 WeakPolarHBondContact CA-O 3.15Å; S283-I472 WeakPolarHBondContact O-CD1 3.26Å
284L97Very high95.7Very high0 Ų046.3 Ų46.30%023%0.23CC..SBendtrans-52.5-28.3174.4-178.860.6000113.1Q324 I325 F328 P363 V364 L367 C426 G453 I472L284-Q324 VanDerWaalsContact O-CG 3.29Å; L284-Q324 WeakPolarHBondContact O-CG 3.26Å; L284-I325 VanDerWaalsContact O-CG1 3.24Å; L284-I325 WeakPolarHBondContact O-CG1 3.32Å; L284-I325 PolarHBondContact O-N 2.96Å; L284-F328 HydrophobicContact CD1-CB 3.53Å; L284-F328 HydrophobicContact CD1-CD1 3.43Å; L284-F328 VanDerWaalsContact CD1-CD1 3.43Å; L284-F328 HydrophobicContact CD1-CD2 4.3Å; L284-F328 HydrophobicContact CD1-CE1 4.14Å; L284-F328 HydrophobicContact CD1-CG 3.49Å; L284-F328 VanDerWaalsContact CD1-CG 3.49Å; L284-P363 HydrophobicContact CD2-CB 4.2Å; L284-P363 HydrophobicContact CD2-CG 4.28Å; L284-P363 HydrophobicContact CG-CB 4.19Å; L284-V364 HydrophobicContact CD2-CG2 4.36Å; L284-L367 HydrophobicContact CD1-CD1 3.92Å; L284-L367 HydrophobicContact CD2-CD1 3.9Å; L284-C426 HydrophobicContact CD2-CB 4.38Å; L284-G453 PolarHBondContact N-O 3Å; L284-I472 HydrophobicContact CB-CD1 4.42Å; L284-I472 VanDerWaalsContact N-CD1 3.28Å
285G96.9Very high95.7Very high0 Ų037 Ų370%020%0.195CC..  trans143.2168-174.500000110.1S283 N321S283-G285 PolarHBondContact O-N 3.11Å; S283-G285 VanDerWaalsContact O-N 3.08Å; G285-N321 WeakPolarHBondContact CA-OD1 3.11Å
286F96.2Very high95.8Very high12 Ų1234.5 Ų34.55%0.05318%0.182CC..  trans-91.6153.5168.565.9-102.5000111.4A242 I245 S246 F291 I295 V317 L318 N321A242-F286 HydrophobicContact CB-CD1 4.34Å; A242-F286 HydrophobicContact CB-CE1 3.86Å; A242-F286 HydrophobicContact CB-CE2 4.2Å; A242-F286 HydrophobicContact CB-CZ 3.79Å; I245-F286 HydrophobicContact CB-CD1 3.96Å; I245-F286 HydrophobicContact CD1-CB 3.64Å; I245-F286 HydrophobicContact CD1-CD1 4.2Å; I245-F286 HydrophobicContact CD1-CG 4.25Å; I245-F286 HydrophobicContact CG2-CB 4.23Å; I245-F286 HydrophobicContact CG2-CD1 3.94Å; S246-F286 WeakPolarHBondContact OG-CE1 3.46Å; F286-F291 HydrophobicContact CB-CD2 3.88Å; F286-F291 HydrophobicContact CB-CE2 4.34Å; F286-F291 HydrophobicContact CD2-CB 3.68Å; F286-F291 AromaticContact CD2-CD2 3.75Å; F286-F291 HydrophobicContact CD2-CD2 3.75Å; F286-F291 HydrophobicContact CD2-CG 4.23Å; F286-F291 HydrophobicContact CE2-CB 3.73Å; F286-F291 HydrophobicContact CE2-CD2 4.49Å; F286-F291 AromaticContact CG-CD2 3.89Å; F286-F291 HydrophobicContact CG-CD2 3.89Å; F286-I295 HydrophobicContact CZ-CD1 4.29Å; F286-V317 HydrophobicContact CE1-CG1 4.31Å; F286-V317 HydrophobicContact CZ-CG1 4.31Å; F286-L318 HydrophobicContact CE2-CD2 4.13Å; F286-L318 HydrophobicContact CZ-CD2 3.98Å; F286-N321 HydrophobicContact CD1-CB 4.15Å; F286-N321 WeakPolarHBondContact CD1-OD1 2.75Å; F286-N321 HydrophobicContact CE1-CB 3.62Å; F286-N321 HydrophobicContact CE2-CB 4.44Å; F286-N321 HydrophobicContact CZ-CB 3.78Å; F286-N321 PolarHBondContact N-OD1 3.27Å; F286-N321 PolarHBondContact O-ND2 3.34Å
287G94.9Very high95.8Very high8 Ų833.9 Ų33.98%0.08218%0.175CC..  trans-139.7-147.7170.800000110.5D361G287-D361 WeakPolarHBondContact CA-O 3.49Å
288G91.8Very high95.9Very high2 Ų230.6 Ų30.62%0.02115%0.153CC..SBendtrans85.1161.7177.500000112.9C290 F352 R360G288-C290 PolarHBondContact O-N 2.88Å; G288-C290 VanDerWaalsContact O-N 3.11Å; G288-F352 VanDerWaalsContact CA-CG 3.41Å; G288-R360 VanDerWaalsContact CA-O 3.25Å; G288-R360 WeakPolarHBondContact CA-O 3Å; G288-R360 PolarHBondContact N-O 3.49Å; G288-R360 VanDerWaalsContact N-O 3.16Å
289S87.6Confident95.9Very high26 Ų2624.2 Ų24.218%0.18212%0.124CC..THydrogen-bonded Turntrans-70.6-9-168.1650000116K293 R360S289-K293 WeakPolarHBondContact O-CB 3.49Å; S289-R360 PolarHBondContact OG-NH2 3.47Å; S289-R360 VanDerWaalsContact OG-NH2 3.16Å
290C92.9Very high96Very high37 Ų3722.4 Ų22.425%0.2512%0.115CC..THydrogen-bonded Turntrans-98.7-62.2-175.3-63.20000112.7G288 R292 K293 D294G288-C290 PolarHBondContact O-N 2.88Å; G288-C290 VanDerWaalsContact O-N 3.11Å; C290-R292 PolarHBondContact O-N 3.28Å; C290-K293 PolarHBondContact O-N 3.32Å; C290-D294 VanDerWaalsContact O-CB 3.29Å; C290-D294 WeakPolarHBondContact O-CB 3.49Å; C290-D294 PolarHBondContact O-N 2.94Å
291F95.5Very high96Very high32 Ų3222.8 Ų22.814%0.1412%0.116CC..Hα-helixtrans-59-52.4-164-68.7-18.3000114N238 L241 A242 I245 F279 F286 I295N238-F291 HydrophobicContact CB-CD1 4.12Å; N238-F291 HydrophobicContact CB-CE1 4.47Å; L241-F291 HydrophobicContact CB-CE1 3.94Å; L241-F291 HydrophobicContact CB-CZ 3.91Å; L241-F291 HydrophobicContact CD1-CE1 4.25Å; L241-F291 HydrophobicContact CD1-CZ 4.46Å; A242-F291 HydrophobicContact CB-CB 4.01Å; A242-F291 HydrophobicContact CB-CD1 4.36Å; A242-F291 HydrophobicContact CB-CD2 4.14Å; A242-F291 HydrophobicContact CB-CG 3.94Å; I245-F291 HydrophobicContact CD1-CD2 4.34Å; I245-F291 HydrophobicContact CD1-CE2 3.72Å; F279-F291 HydrophobicContact CE1-CE2 4.33Å; F279-F291 AromaticContact CE1-CZ 3.97Å; F279-F291 HydrophobicContact CE1-CZ 3.97Å; F286-F291 HydrophobicContact CB-CD2 3.88Å; F286-F291 HydrophobicContact CB-CE2 4.34Å; F286-F291 HydrophobicContact CD2-CB 3.68Å; F286-F291 AromaticContact CD2-CD2 3.75Å; F286-F291 HydrophobicContact CD2-CD2 3.75Å; F286-F291 HydrophobicContact CD2-CG 4.23Å; F286-F291 HydrophobicContact CE2-CB 3.73Å; F286-F291 HydrophobicContact CE2-CD2 4.49Å; F286-F291 AromaticContact CG-CD2 3.89Å; F286-F291 HydrophobicContact CG-CD2 3.89Å; F291-I295 WeakPolarHBondContact O-CB 3.3Å; F291-I295 VanDerWaalsContact O-CG1 3.31Å; F291-I295 WeakPolarHBondContact O-CG1 3.44Å; F291-I295 PolarHBondContact O-N 3.48Å
292R96.2Very high96.1Very high90 Ų9016.8 Ų16.834%0.349%0.085SC..Hα-helixtrans-61.8-52.6-179.3-174.2-179.7-173.4101.5-2.1110.8C290 D294 I295 L296 L318 N322C290-R292 PolarHBondContact O-N 3.28Å; R292-D294 VanDerWaalsContact C-N 3.34Å; R292-D294 PolarHBondContact O-N 3.46Å; R292-I295 PolarHBondContact O-N 3.1Å; R292-L296 HydrophobicContact CG-CD1 3.84Å; R292-L296 HydrophobicContact CG-CG 4.42Å; R292-L296 WeakPolarHBondContact O-CB 3.36Å; R292-L296 WeakPolarHBondContact O-CG 3.42Å; R292-L296 PolarHBondContact O-N 2.74Å; R292-L318 HydrophobicContact CB-CD2 4.45Å; R292-L318 HydrophobicContact CG-CD2 4.26Å; R292-N322 PolarHBondContact NH1-OD1 2.77Å; R292-N322 VanDerWaalsContact NH1-OD1 3.16Å
293K95.5Very high96.1Very high27 Ų2719.9 Ų19.912%0.11710%0.099CC..Hα-helixtrans-54.9-46.2-179.4-173.7-159.173.9173.10112.4T89 T91 S289 C290 L296 S297T89-K293 WeakPolarHBondContact O-CD 3.29Å; T91-K293 VanDerWaalsContact OG1-CG 3.32Å; T91-K293 WeakPolarHBondContact OG1-CG 3.48Å; S289-K293 WeakPolarHBondContact O-CB 3.49Å; C290-K293 PolarHBondContact O-N 3.32Å; K293-L296 PolarHBondContact O-N 3.31Å; K293-S297 PolarHBondContact O-N 2.96Å
294D97Very high96.1Very high0 Ų023.2 Ų23.20%012%0.119CC..Hα-helixtrans-77-36.7-174.7-65.1-22.4000112.3T129 L235 N238 C290 R292 L296 S297 L298T129-D294 VanDerWaalsContact CG2-OD1 3.3Å; T129-D294 WeakPolarHBondContact CG2-OD1 3.38Å; L235-D294 HydrophobicContact CD2-CB 3.76Å; N238-D294 HydrophobicContact CB-CB 4.24Å; N238-D294 PolarHBondContact ND2-OD2 2.63Å; C290-D294 VanDerWaalsContact O-CB 3.29Å; C290-D294 WeakPolarHBondContact O-CB 3.49Å; C290-D294 PolarHBondContact O-N 2.94Å; R292-D294 VanDerWaalsContact C-N 3.34Å; R292-D294 PolarHBondContact O-N 3.46Å; D294-L296 VanDerWaalsContact C-N 3.33Å; D294-S297 PolarHBondContact O-N 3.41Å; D294-L298 WeakPolarHBondContact O-CB 3.31Å; D294-L298 PolarHBondContact O-N 3.5Å
295I97.9Very high96.1Very high0 Ų028.1 Ų28.10%015%0.145CC..Hα-helixtrans-63.5-42.5171.2-70.1166.6000110.6A239 A242 F286 F291 R292 S297 L298 M299 W314 V317 L318A239-I295 HydrophobicContact CB-CG1 4.05Å; A242-I295 HydrophobicContact CB-CD1 3.49Å; A242-I295 VanDerWaalsContact CB-CD1 3.49Å; F286-I295 HydrophobicContact CZ-CD1 4.29Å; F291-I295 WeakPolarHBondContact O-CB 3.3Å; F291-I295 VanDerWaalsContact O-CG1 3.31Å; F291-I295 WeakPolarHBondContact O-CG1 3.44Å; F291-I295 PolarHBondContact O-N 3.48Å; R292-I295 PolarHBondContact O-N 3.1Å; I295-S297 VanDerWaalsContact C-N 3.3Å; I295-S297 PolarHBondContact O-N 2.78Å; I295-L298 PolarHBondContact O-N 2.97Å; I295-M299 WeakPolarHBondContact O-CB 3.5Å; I295-M299 PolarHBondContact O-N 3.44Å; I295-W314 HydrophobicContact CG2-CB 4.17Å; I295-W314 WeakPolarHBondContact CG2-O 3.46Å; I295-V317 HydrophobicContact CD1-CB 4.47Å; I295-V317 HydrophobicContact CD1-CG1 3.85Å; I295-L318 HydrophobicContact CB-CD1 4.25Å; I295-L318 HydrophobicContact CB-CD2 4.12Å; I295-L318 HydrophobicContact CB-CG 4.23Å; I295-L318 HydrophobicContact CD1-CD2 3.83Å; I295-L318 HydrophobicContact CD1-CG 4.43Å; I295-L318 HydrophobicContact CG2-CD1 3.76Å; I295-L318 HydrophobicContact CG2-CD2 4.12Å; I295-L318 HydrophobicContact CG2-CG 3.69Å
296L97.6Very high96.1Very high17 Ų1734.9 Ų34.99%0.08918%0.181CC..Hα-helixtrans-61.1-40.9176.4-74.9172.2000111.8G99 R100 R292 K293 D294 M299 Y300 L318G99-L296 WeakPolarHBondContact O-CD1 3.45Å; R100-L296 HydrophobicContact CG-CD2 4.37Å; R100-L296 CarbonylContact O-C 3.52Å; R100-L296 VanDerWaalsContact O-C 3.26Å; R292-L296 HydrophobicContact CG-CD1 3.84Å; R292-L296 HydrophobicContact CG-CG 4.42Å; R292-L296 WeakPolarHBondContact O-CB 3.36Å; R292-L296 WeakPolarHBondContact O-CG 3.42Å; R292-L296 PolarHBondContact O-N 2.74Å; K293-L296 PolarHBondContact O-N 3.31Å; D294-L296 VanDerWaalsContact C-N 3.33Å; L296-M299 HydrophobicContact CD2-CE 3.61Å; L296-Y300 WeakPolarHBondContact O-CB 3.34Å; L296-Y300 PolarHBondContact O-N 3.46Å; L296-L318 HydrophobicContact CD2-CD1 3.6Å; L296-L318 HydrophobicContact CG-CD1 3.75Å
297S97.6Very high96.3Very high1 Ų138 Ų381%0.00720%0.198CC..Hα-helixtrans-63.6-46.4174.2-1700000111.5R100 T102 K293 D294 I295 M299 Y300 I301R100-S297 WeakPolarHBondContact O-CA 3.44Å; R100-S297 PolarHBondContact O-N 3.21Å; T102-S297 WeakPolarHBondContact OG1-CB 3.35Å; T102-S297 PolarHBondContact OG1-OG 3.05Å; K293-S297 PolarHBondContact O-N 2.96Å; D294-S297 PolarHBondContact O-N 3.41Å; I295-S297 VanDerWaalsContact C-N 3.3Å; I295-S297 PolarHBondContact O-N 2.78Å; S297-M299 PolarHBondContact O-N 3.5Å; S297-Y300 PolarHBondContact O-N 3.2Å; S297-Y300 VanDerWaalsContact O-N 3.14Å; S297-I301 VanDerWaalsContact O-CG1 3.29Å; S297-I301 WeakPolarHBondContact O-CG1 3.24Å; S297-I301 PolarHBondContact O-N 3.47Å
298L97.7Very high96.4Very high12 Ų1241.4 Ų41.46%0.06322%0.218CC..Hα-helixtrans-61.6-41.5177.8-176.959.9000112.7L232 A239 D294 I295 I301 S302 W314L232-L298 HydrophobicContact CD1-CD1 4.07Å; A239-L298 HydrophobicContact CB-CD2 3.8Å; D294-L298 WeakPolarHBondContact O-CB 3.31Å; D294-L298 PolarHBondContact O-N 3.5Å; I295-L298 PolarHBondContact O-N 2.97Å; L298-I301 PolarHBondContact O-N 3.38Å; L298-S302 WeakPolarHBondContact O-CB 3.36Å; L298-S302 PolarHBondContact O-N 3.37Å; L298-S302 PolarHBondContact O-OG 2.83Å; L298-W314 HydrophobicContact CD2-CD2 3.84Å; L298-W314 HydrophobicContact CD2-CG 3.91Å; L298-W314 HydrophobicContact CD2-CZ2 4.25Å; L298-W314 HydrophobicContact CG-CG 4.35Å
299M97.7Very high96.7Very high5 Ų548.2 Ų48.23%0.02525%0.249CC..Hα-helixtrans-60.4-46.9172.6175.9-168.553.200110.7R100 I295 L296 S297 I301 S302 E303 A311 Y315R100-M299 HydrophobicContact CB-CE 4.13Å; R100-M299 VanDerWaalsContact CD-CE 3.43Å; R100-M299 HydrophobicContact CG-CE 3.82Å; I295-M299 WeakPolarHBondContact O-CB 3.5Å; I295-M299 PolarHBondContact O-N 3.44Å; L296-M299 HydrophobicContact CD2-CE 3.61Å; S297-M299 PolarHBondContact O-N 3.5Å; M299-I301 PolarHBondContact O-N 2.87Å; M299-S302 WeakPolarHBondContact O-CB 3.49Å; M299-S302 PolarHBondContact O-N 3.33Å; M299-S302 VanDerWaalsContact O-N 3.15Å; M299-E303 WeakPolarHBondContact O-CG 3.49Å; M299-E303 PolarHBondContact O-N 3.43Å; M299-A311 HydrophobicContact CG-CB 3.87Å; M299-Y315 HydrophobicContact CE-CD2 4.29Å; M299-Y315 HydrophobicContact SD-CD2 3.49Å; M299-Y315 WeakPolarHBondContact SD-CD2 3.48Å; M299-Y315 HydrophobicContact SD-CE2 4.33Å; M299-Y315 HydrophobicContact SD-CG 3.92Å
300Y97.6Very high97.2Very high45 Ų4549.8 Ų49.818%0.17626%0.258CS..Hα-helixtrans-64.3-39.1178.7-175.8-105.7000112.7G97 R100 A101 L296 S297 S302 E303 T304G97-Y300 VanDerWaalsContact CA-CE2 3.45Å; R100-Y300 HydrophobicContact CB-CD2 4.45Å; A101-Y300 HydrophobicContact CB-CD1 3.54Å; A101-Y300 HydrophobicContact CB-CD2 4.45Å; A101-Y300 HydrophobicContact CB-CE1 3.51Å; A101-Y300 HydrophobicContact CB-CE2 4.42Å; A101-Y300 HydrophobicContact CB-CG 4.02Å; L296-Y300 WeakPolarHBondContact O-CB 3.34Å; L296-Y300 PolarHBondContact O-N 3.46Å; S297-Y300 PolarHBondContact O-N 3.2Å; S297-Y300 VanDerWaalsContact O-N 3.14Å; Y300-S302 VanDerWaalsContact C-N 3.32Å; Y300-S302 PolarHBondContact O-N 3.3Å; Y300-E303 PolarHBondContact O-N 3.29Å; Y300-T304 HydrophobicContact CD1-CG2 4.33Å; Y300-T304 HydrophobicContact CE1-CG2 3.9Å; Y300-T304 HydrophobicContact CE2-CG2 4.24Å; Y300-T304 WeakPolarHBondContact O-CG2 3.26Å; Y300-T304 PolarHBondContact O-N 2.98Å; Y300-T304 PolarHBondContact O-OG1 2.81Å
301I97.6Very high97.5Very high18 Ų1848.2 Ų48.29%0.09225%0.247CC..Hα-helixtrans-59.4-45.9171.6-67.5162.9000109.9P131 V132 L235 S297 L298 M299 E303 T304 L305P131-I301 HydrophobicContact CB-CD1 3.65Å; P131-I301 HydrophobicContact CB-CG1 4.08Å; V132-I301 HydrophobicContact CG1-CD1 4.4Å; V132-I301 HydrophobicContact CG1-CG2 3.97Å; L235-I301 HydrophobicContact CD1-CD1 3.53Å; S297-I301 VanDerWaalsContact O-CG1 3.29Å; S297-I301 WeakPolarHBondContact O-CG1 3.24Å; S297-I301 PolarHBondContact O-N 3.47Å; L298-I301 PolarHBondContact O-N 3.38Å; M299-I301 PolarHBondContact O-N 2.87Å; I301-E303 VanDerWaalsContact C-N 3.34Å; I301-E303 PolarHBondContact O-N 2.81Å; I301-T304 WeakPolarHBondContact CA-OG1 3.29Å; I301-T304 PolarHBondContact O-N 3.3Å; I301-T304 PolarHBondContact O-OG1 3.38Å; I301-L305 HydrophobicContact CG2-CD1 3.88Å; I301-L305 HydrophobicContact CG2-CG 4.49Å; I301-L305 WeakPolarHBondContact O-CG 3.4Å; I301-L305 PolarHBondContact O-N 3.35Å
302S98.2Very high97.7Very high6 Ų650.4 Ų50.44%0.04227%0.267CS..Hα-helixtrans-60.5-43.5-180-56.40000111.7L298 M299 Y300 L305 N306 L307L298-S302 WeakPolarHBondContact O-CB 3.36Å; L298-S302 PolarHBondContact O-N 3.37Å; L298-S302 PolarHBondContact O-OG 2.83Å; M299-S302 WeakPolarHBondContact O-CB 3.49Å; M299-S302 PolarHBondContact O-N 3.33Å; M299-S302 VanDerWaalsContact O-N 3.15Å; Y300-S302 VanDerWaalsContact C-N 3.32Å; Y300-S302 PolarHBondContact O-N 3.3Å; S302-L305 PolarHBondContact O-N 3.01Å; S302-N306 PolarHBondContact O-N 3.18Å; S302-L307 WeakPolarHBondContact O-CA 3.19Å; S302-L307 WeakPolarHBondContact O-CB 3.34Å; S302-L307 PolarHBondContact O-N 3.19Å
303E97.4Very high97.8Very high69 Ų6951.8 Ų51.832%0.32227%0.273SS..Hα-helixtrans-64-42.8175.9-69.6177.8170.300112.8R100 M299 Y300 I301 L305 N306 A311R100-E303 IonicContact CZ-OE1 3.91Å; R100-E303 IonicContact CZ-OE2 2.69Å; R100-E303 IonicContact NH1-OE1 3.71Å; R100-E303 PolarHBondContact NH1-OE1 3.21Å; R100-E303 IonicContact NH1-OE2 2.87Å; R100-E303 PolarHBondContact NH1-OE2 3.04Å; R100-E303 IonicContact NH2-OE2 3.45Å; R100-E303 PolarHBondContact NH2-OE2 2.8Å; M299-E303 WeakPolarHBondContact O-CG 3.49Å; M299-E303 PolarHBondContact O-N 3.43Å; Y300-E303 PolarHBondContact O-N 3.29Å; I301-E303 VanDerWaalsContact C-N 3.34Å; I301-E303 PolarHBondContact O-N 2.81Å; E303-L305 PolarHBondContact O-N 3.36Å; E303-N306 PolarHBondContact O-N 2.72Å; E303-A311 HydrophobicContact CG-CB 3.74Å
304T96.5Very high97.9Very high80 Ų8051.8 Ų51.849%0.49127%0.272SS..Hα-helixtrans-68-23.1179.355.50000112.8Y300 I301 N306Y300-T304 HydrophobicContact CD1-CG2 4.33Å; Y300-T304 HydrophobicContact CE1-CG2 3.9Å; Y300-T304 HydrophobicContact CE2-CG2 4.24Å; Y300-T304 WeakPolarHBondContact O-CG2 3.26Å; Y300-T304 PolarHBondContact O-N 2.98Å; Y300-T304 PolarHBondContact O-OG1 2.81Å; I301-T304 WeakPolarHBondContact CA-OG1 3.29Å; I301-T304 PolarHBondContact O-N 3.3Å; I301-T304 PolarHBondContact O-OG1 3.38Å; T304-N306 VanDerWaalsContact C-N 3.32Å
305L97.5Very high98Very high104 Ų10456.7 Ų56.755%0.54529%0.291SS..THydrogen-bonded Turntrans-87.95.9171.6-63.8175.7000113.5I301 S302 E303 L307I301-L305 HydrophobicContact CG2-CD1 3.88Å; I301-L305 HydrophobicContact CG2-CG 4.49Å; I301-L305 WeakPolarHBondContact O-CG 3.4Å; I301-L305 PolarHBondContact O-N 3.35Å; S302-L305 PolarHBondContact O-N 3.01Å; E303-L305 PolarHBondContact O-N 3.36Å; L305-L307 HydrophobicContact CB-CD1 4.13Å; L305-L307 HydrophobicContact CB-CG 4.23Å
306N98.2Very high98Very high141 Ų14159.5 Ų59.575%0.75431%0.311SS*.THydrogen-bonded Turntrans60.141.6-176.4-52.6-69.4000113.7S302 E303 T304 P308S302-N306 PolarHBondContact O-N 3.18Å; E303-N306 PolarHBondContact O-N 2.72Å; T304-N306 VanDerWaalsContact C-N 3.32Å; N306-P308 VanDerWaalsContact C-CD 3.4Å; N306-P308 VanDerWaalsContact O-CD 3.26Å; N306-P308 WeakPolarHBondContact O-CD 3.47Å
307L98.6Very high98Very high79 Ų7959 Ų5941%0.41431%0.309SS..  trans-115.468.9177.5-58.3173.6000111.3S302 L305 E309 V310 A311S302-L307 WeakPolarHBondContact O-CA 3.19Å; S302-L307 WeakPolarHBondContact O-CB 3.34Å; S302-L307 PolarHBondContact O-N 3.19Å; L305-L307 HydrophobicContact CB-CD1 4.13Å; L305-L307 HydrophobicContact CB-CG 4.23Å; L307-E309 PolarHBondContact O-N 3.11Å; L307-V310 HydrophobicContact CB-CB 4.04Å; L307-V310 HydrophobicContact CB-CG2 3.98Å; L307-V310 PolarHBondContact O-N 3.24Å; L307-A311 PolarHBondContact O-N 2.84Å; L307-A311 VanDerWaalsContact O-N 3.07Å
308P97.9Very high98.1Very high78 Ų7859.1 Ų59.151%0.50631%0.309SS..Hα-helixtrans-65.5-32.5-173.426.1-33.2000113.8N306 V310 A311 S312N306-P308 VanDerWaalsContact C-CD 3.4Å; N306-P308 VanDerWaalsContact O-CD 3.26Å; N306-P308 WeakPolarHBondContact O-CD 3.47Å; P308-V310 VanDerWaalsContact C-N 3.34Å; P308-A311 PolarHBondContact O-N 3.23Å; P308-S312 WeakPolarHBondContact O-CB 3.48Å; P308-S312 PolarHBondContact O-N 2.9Å
309E98.7Very high98.1Very high146 Ų14662.4 Ų62.468%0.68232%0.324SS*.Hα-helixtrans-65.5-39.5176.8-62.779.2-175.900111.1L307 S312 Y313L307-E309 PolarHBondContact O-N 3.11Å; E309-S312 PolarHBondContact O-N 3.38Å; E309-Y313 PolarHBondContact O-N 3.47Å
310V98.6Very high98.2Very high59 Ų5965 Ų6536%0.35834%0.337SS..Hα-helixtrans-67.2-42.9176-177.50000110.4L307 P308 Y313 W314L307-V310 HydrophobicContact CB-CB 4.04Å; L307-V310 HydrophobicContact CB-CG2 3.98Å; L307-V310 PolarHBondContact O-N 3.24Å; P308-V310 VanDerWaalsContact C-N 3.34Å; V310-Y313 PolarHBondContact O-N 3.36Å; V310-W314 PolarHBondContact O-N 3.45Å
311A98.4Very high98.2Very high4 Ų463.1 Ų63.13%0.03333%0.33CS..Hα-helixtrans-59.6-46.3174.600000111.7M299 E303 L307 P308 W314 Y315M299-A311 HydrophobicContact CG-CB 3.87Å; E303-A311 HydrophobicContact CG-CB 3.74Å; L307-A311 PolarHBondContact O-N 2.84Å; L307-A311 VanDerWaalsContact O-N 3.07Å; P308-A311 PolarHBondContact O-N 3.23Å; A311-W314 PolarHBondContact O-N 3.07Å; A311-Y315 WeakPolarHBondContact O-CB 3.33Å; A311-Y315 PolarHBondContact O-N 3.39Å
312S98.5Very high98.2Very high78 Ų7864.8 Ų64.855%0.54534%0.339SS..Hα-helixtrans-61.7-43.7179.1-174.20000112.3P308 E309 W314 Y315 S316P308-S312 WeakPolarHBondContact O-CB 3.48Å; P308-S312 PolarHBondContact O-N 2.9Å; E309-S312 PolarHBondContact O-N 3.38Å; S312-W314 PolarHBondContact O-N 3.33Å; S312-Y315 PolarHBondContact O-N 2.94Å; S312-S316 PolarHBondContact O-N 3.26Å
313Y98.7Very high98.2Very high119 Ų11969.2 Ų69.247%0.46736%0.355SS..Hα-helixtrans-56.6-51.8176.5178.1-97.8000111.7Q243 E309 V310 Y315 S316Q243-Y313 VanDerWaalsContact NE2-CE1 3.33Å; Q243-Y313 PolarHBondContact NE2-OH 3.26Å; Q243-Y313 PolarHBondContact OE1-OH 3.27Å; E309-Y313 PolarHBondContact O-N 3.47Å; V310-Y313 PolarHBondContact O-N 3.36Å; Y313-Y315 PolarHBondContact O-N 3.33Å; Y313-S316 WeakPolarHBondContact O-CB 3.38Å; Y313-S316 PolarHBondContact O-N 3.43Å; Y313-S316 PolarHBondContact O-OG 2.61Å
314W98.5Very high98.3Very high26 Ų2665.9 Ų65.910%0.09834%0.34CS..Hα-helixtrans-68.6-34.4179.5-68.2120.6000112.8A239 F240 Q243 I295 L298 V310 A311 S312 S316 V317A239-W314 HydrophobicContact CB-CD2 4.32Å; A239-W314 HydrophobicContact CB-CE3 3.76Å; A239-W314 HydrophobicContact CB-CH2 4.01Å; A239-W314 HydrophobicContact CB-CZ3 3.6Å; F240-W314 AromaticContact CD2-CH2 3.65Å; F240-W314 HydrophobicContact CD2-CH2 3.65Å; F240-W314 HydrophobicContact CD2-CZ2 4.42Å; F240-W314 HydrophobicContact CD2-CZ3 4.48Å; F240-W314 AromaticContact CE2-CH2 3.6Å; F240-W314 HydrophobicContact CE2-CH2 3.6Å; F240-W314 HydrophobicContact CE2-CZ2 4.04Å; F240-W314 HydrophobicContact CZ-CH2 4.49Å; Q243-W314 HydrophobicContact CB-CZ3 4.45Å; I295-W314 HydrophobicContact CG2-CB 4.17Å; I295-W314 WeakPolarHBondContact CG2-O 3.46Å; L298-W314 HydrophobicContact CD2-CD2 3.84Å; L298-W314 HydrophobicContact CD2-CG 3.91Å; L298-W314 HydrophobicContact CD2-CZ2 4.25Å; L298-W314 HydrophobicContact CG-CG 4.35Å; V310-W314 PolarHBondContact O-N 3.45Å; A311-W314 PolarHBondContact O-N 3.07Å; S312-W314 PolarHBondContact O-N 3.33Å; W314-S316 VanDerWaalsContact C-N 3.27Å; W314-S316 PolarHBondContact O-N 2.92Å; W314-V317 HydrophobicContact CE3-CG2 4.28Å; W314-V317 WeakPolarHBondContact O-CB 3.1Å; W314-V317 PolarHBondContact O-N 3.44Å
315Y98.1Very high98.4Very high103 Ų10362.5 Ų62.540%0.40432%0.319SS..Hα-helixtrans-62.3-35.8174-172.1-115.3000112.5M299 A311 S312 Y313 V317 L318 Q319M299-Y315 HydrophobicContact CE-CD2 4.29Å; M299-Y315 HydrophobicContact SD-CD2 3.49Å; M299-Y315 WeakPolarHBondContact SD-CD2 3.48Å; M299-Y315 HydrophobicContact SD-CE2 4.33Å; M299-Y315 HydrophobicContact SD-CG 3.92Å; A311-Y315 WeakPolarHBondContact O-CB 3.33Å; A311-Y315 PolarHBondContact O-N 3.39Å; S312-Y315 PolarHBondContact O-N 2.94Å; Y313-Y315 PolarHBondContact O-N 3.33Å; Y315-V317 PolarHBondContact O-N 3.06Å; Y315-L318 PolarHBondContact O-N 3.2Å; Y315-Q319 HydrophobicContact CD1-CG 3.82Å; Y315-Q319 HydrophobicContact CE1-CG 3.62Å; Y315-Q319 VanDerWaalsContact CE1-NE2 3.29Å; Y315-Q319 PolarHBondContact O-N 2.87Å; Y315-Q319 PolarHBondContact OH-NE2 3.25Å
316S98.6Very high98.4Very high60 Ų6059.8 Ų59.842%0.4231%0.305SS..Hα-helixtrans-60-30.417880.30000113S312 Y313 W314 L318 Q319 M320S312-S316 PolarHBondContact O-N 3.26Å; Y313-S316 WeakPolarHBondContact O-CB 3.38Å; Y313-S316 PolarHBondContact O-N 3.43Å; Y313-S316 PolarHBondContact O-OG 2.61Å; W314-S316 VanDerWaalsContact C-N 3.27Å; W314-S316 PolarHBondContact O-N 2.92Å; S316-L318 VanDerWaalsContact C-N 3.35Å; S316-L318 PolarHBondContact O-N 3.24Å; S316-Q319 PolarHBondContact O-N 2.59Å; S316-M320 WeakPolarHBondContact O-CB 2.83Å; S316-M320 PolarHBondContact O-N 3.46Å
317V98.7Very high98.4Very high6 Ų654.5 Ų54.54%0.03627%0.274CS..Hα-helixtrans-61.6-43.2174.6175.20000110.8A242 Q243 S246 F286 I295 W314 Y315 N321A242-V317 HydrophobicContact CB-CG1 4.27Å; Q243-V317 HydrophobicContact CB-CG1 4.33Å; Q243-V317 HydrophobicContact CB-CG2 3.98Å; Q243-V317 HydrophobicContact CG-CG2 4.34Å; S246-V317 PolarHBondContact OG-O 2.89Å; F286-V317 HydrophobicContact CE1-CG1 4.31Å; F286-V317 HydrophobicContact CZ-CG1 4.31Å; I295-V317 HydrophobicContact CD1-CB 4.47Å; I295-V317 HydrophobicContact CD1-CG1 3.85Å; W314-V317 HydrophobicContact CE3-CG2 4.28Å; W314-V317 WeakPolarHBondContact O-CB 3.1Å; W314-V317 PolarHBondContact O-N 3.44Å; Y315-V317 PolarHBondContact O-N 3.06Å; V317-N321 PolarHBondContact O-N 2.88Å
318L98Very high98.4Very high3 Ų351 Ų512%0.01626%0.256CS..Hα-helixtrans-70.9-38176.3-61.8-179.8000112.2F286 R292 I295 L296 Y315 S316 M320 N321 N322F286-L318 HydrophobicContact CE2-CD2 4.13Å; F286-L318 HydrophobicContact CZ-CD2 3.98Å; R292-L318 HydrophobicContact CB-CD2 4.45Å; R292-L318 HydrophobicContact CG-CD2 4.26Å; I295-L318 HydrophobicContact CB-CD1 4.25Å; I295-L318 HydrophobicContact CB-CD2 4.12Å; I295-L318 HydrophobicContact CB-CG 4.23Å; I295-L318 HydrophobicContact CD1-CD2 3.83Å; I295-L318 HydrophobicContact CD1-CG 4.43Å; I295-L318 HydrophobicContact CG2-CD1 3.76Å; I295-L318 HydrophobicContact CG2-CD2 4.12Å; I295-L318 HydrophobicContact CG2-CG 3.69Å; L296-L318 HydrophobicContact CD2-CD1 3.6Å; L296-L318 HydrophobicContact CG-CD1 3.75Å; Y315-L318 PolarHBondContact O-N 3.2Å; S316-L318 VanDerWaalsContact C-N 3.35Å; S316-L318 PolarHBondContact O-N 3.24Å; L318-M320 VanDerWaalsContact C-N 3.32Å; L318-M320 PolarHBondContact O-N 3.09Å; L318-N321 PolarHBondContact O-N 3.17Å; L318-N322 VanDerWaalsContact O-CG 3.29Å; L318-N322 PolarHBondContact O-N 3.01Å; L318-N322 PolarHBondContact O-ND2 3.45Å
319Q98.4Very high98.4Very high81 Ų8147.3 Ų47.338%0.37923%0.232SC..Hα-helixtrans-60.2-44.6175.4-71.4-62.4-51.400111.2Y315 S316 N321 N322 Y323Y315-Q319 HydrophobicContact CD1-CG 3.82Å; Y315-Q319 HydrophobicContact CE1-CG 3.62Å; Y315-Q319 VanDerWaalsContact CE1-NE2 3.29Å; Y315-Q319 PolarHBondContact O-N 2.87Å; Y315-Q319 PolarHBondContact OH-NE2 3.25Å; S316-Q319 PolarHBondContact O-N 2.59Å; Q319-N321 VanDerWaalsContact C-N 3.32Å; Q319-N321 PolarHBondContact O-N 3.41Å; Q319-N322 PolarHBondContact O-N 3Å; Q319-Y323 WeakPolarHBondContact O-CB 3.31Å; Q319-Y323 PolarHBondContact O-N 2.8Å
320M98.7Very high98.3Very high60 Ų6045.8 Ų45.830%0.29622%0.22SC..Hα-helixtrans-63.6-37.7177-168.751.142.500112.5S246 A250 S316 L318 Y323 Q324S246-M320 WeakPolarHBondContact O-CG 3.38Å; A250-M320 HydrophobicContact CB-CG 4.15Å; A250-M320 HydrophobicContact CB-SD 3.87Å; S316-M320 WeakPolarHBondContact O-CB 2.83Å; S316-M320 PolarHBondContact O-N 3.46Å; L318-M320 VanDerWaalsContact C-N 3.32Å; L318-M320 PolarHBondContact O-N 3.09Å; M320-Y323 HydrophobicContact CE-CD1 4.35Å; M320-Y323 PolarHBondContact O-N 2.89Å; M320-Y323 HydrophobicContact SD-CD1 3.65Å; M320-Y323 HydrophobicContact SD-CE1 4.27Å; M320-Q324 PolarHBondContact O-N 3.23Å
321N98.4Very high98.2Very high6 Ų644.6 Ų44.63%0.03221%0.211CC..Hα-helixtrans-65-45.9174.8-168.164000112.3G285 F286 V317 L318 Q319 Y323 Q324 I325G285-N321 WeakPolarHBondContact CA-OD1 3.11Å; F286-N321 HydrophobicContact CD1-CB 4.15Å; F286-N321 WeakPolarHBondContact CD1-OD1 2.75Å; F286-N321 HydrophobicContact CE1-CB 3.62Å; F286-N321 HydrophobicContact CE2-CB 4.44Å; F286-N321 HydrophobicContact CZ-CB 3.78Å; F286-N321 PolarHBondContact N-OD1 3.27Å; F286-N321 PolarHBondContact O-ND2 3.34Å; V317-N321 PolarHBondContact O-N 2.88Å; L318-N321 PolarHBondContact O-N 3.17Å; Q319-N321 VanDerWaalsContact C-N 3.32Å; Q319-N321 PolarHBondContact O-N 3.41Å; N321-Y323 VanDerWaalsContact C-N 3.34Å; N321-Y323 PolarHBondContact O-N 2.8Å; N321-Q324 PolarHBondContact O-N 3.45Å; N321-I325 WeakPolarHBondContact O-CG1 3.48Å; N321-I325 PolarHBondContact O-N 2.87Å
322N98.2Very high98.2Very high52 Ų5244.4 Ų44.428%0.27821%0.21SC..Hα-helixtrans-63.3-41.8176.7-63-29.1000111.2R292 L318 Q319 Q324 I325 D326R292-N322 PolarHBondContact NH1-OD1 2.77Å; R292-N322 VanDerWaalsContact NH1-OD1 3.16Å; L318-N322 VanDerWaalsContact O-CG 3.29Å; L318-N322 PolarHBondContact O-N 3.01Å; L318-N322 PolarHBondContact O-ND2 3.45Å; Q319-N322 PolarHBondContact O-N 3Å; N322-Q324 VanDerWaalsContact C-N 3.33Å; N322-Q324 PolarHBondContact O-N 3.36Å; N322-I325 PolarHBondContact O-N 2.74Å; N322-D326 VanDerWaalsContact O-CB 3.27Å; N322-D326 WeakPolarHBondContact O-CB 3.49Å; N322-D326 PolarHBondContact O-N 2.94Å
323Y98.5Very high98.2Very high99 Ų9941.9 Ų41.939%0.38819%0.19SC..Hα-helixtrans-58.5-43.2174.4165.2-100.6000111.8Q319 M320 N321 I325 D326 R327Q319-Y323 WeakPolarHBondContact O-CB 3.31Å; Q319-Y323 PolarHBondContact O-N 2.8Å; M320-Y323 HydrophobicContact CE-CD1 4.35Å; M320-Y323 PolarHBondContact O-N 2.89Å; M320-Y323 HydrophobicContact SD-CD1 3.65Å; M320-Y323 HydrophobicContact SD-CE1 4.27Å; N321-Y323 VanDerWaalsContact C-N 3.34Å; N321-Y323 PolarHBondContact O-N 2.8Å; Y323-I325 PolarHBondContact O-N 2.66Å; Y323-D326 PolarHBondContact O-N 3.36Å; Y323-R327 HydrophobicContact CE2-CB 4.44Å; Y323-R327 WeakPolarHBondContact O-CB 3.26Å; Y323-R327 PolarHBondContact O-N 3.43Å; Y323-R327 VanDerWaalsContact OH-CD 3.29Å; Y323-R327 WeakPolarHBondContact OH-CD 3.33Å
324Q98.4Very high98.1Very high0 Ų041.9 Ų41.90%019%0.194CC..Hα-helixtrans-60.5-45.9179.1179.371.9-1600112.1N249 S252 S283 L284 M320 N321 N322 R327 F328N249-Q324 HydrophobicContact CB-CB 4.33Å; N249-Q324 HydrophobicContact CB-CG 3.96Å; S252-Q324 PolarHBondContact OG-NE2 3.02Å; S283-Q324 WeakPolarHBondContact O-CG 3.42Å; S283-Q324 PolarHBondContact O-NE2 3.16Å; L284-Q324 VanDerWaalsContact O-CG 3.29Å; L284-Q324 WeakPolarHBondContact O-CG 3.26Å; M320-Q324 PolarHBondContact O-N 3.23Å; N321-Q324 PolarHBondContact O-N 3.45Å; N322-Q324 VanDerWaalsContact C-N 3.33Å; N322-Q324 PolarHBondContact O-N 3.36Å; Q324-R327 PolarHBondContact O-N 3.27Å; Q324-R327 VanDerWaalsContact OE1-CZ 3.29Å; Q324-F328 PolarHBondContact O-N 2.81Å
325I98.4Very high97.9Very high9 Ų943 Ų435%0.04620%0.2CC..Hα-helixtrans-61.6-51.3178.5-61163.6000109.9L284 N321 N322 Y323 R327 F328 T329 P363 P366 L367L284-I325 VanDerWaalsContact O-CG1 3.24Å; L284-I325 WeakPolarHBondContact O-CG1 3.32Å; L284-I325 PolarHBondContact O-N 2.96Å; N321-I325 WeakPolarHBondContact O-CG1 3.48Å; N321-I325 PolarHBondContact O-N 2.87Å; N322-I325 PolarHBondContact O-N 2.74Å; Y323-I325 PolarHBondContact O-N 2.66Å; I325-R327 VanDerWaalsContact C-N 3.31Å; I325-R327 PolarHBondContact O-N 2.86Å; I325-F328 PolarHBondContact O-N 3.44Å; I325-T329 PolarHBondContact O-N 2.79Å; I325-T329 PolarHBondContact O-OG1 3.45Å; I325-T329 VanDerWaalsContact O-OG1 3.08Å; I325-P363 HydrophobicContact CD1-CB 3.58Å; I325-P363 HydrophobicContact CG1-CB 3.8Å; I325-P366 HydrophobicContact CD1-CG 4.18Å; I325-P366 HydrophobicContact CG2-CB 4.49Å; I325-P366 HydrophobicContact CG2-CG 4.12Å; I325-L367 HydrophobicContact CG2-CB 4.27Å
326D98.2Very high97.9Very high46 Ų4638.2 Ų38.225%0.24618%0.181CC..Hα-helixtrans-62.7-37.1-178.8175.763.3000112.4N322 Y323 T329 R330 Q370N322-D326 VanDerWaalsContact O-CB 3.27Å; N322-D326 WeakPolarHBondContact O-CB 3.49Å; N322-D326 PolarHBondContact O-N 2.94Å; Y323-D326 PolarHBondContact O-N 3.36Å; D326-T329 PolarHBondContact O-N 3.36Å; D326-R330 WeakPolarHBondContact O-CB 3.36Å; D326-R330 WeakPolarHBondContact O-CG 3.2Å; D326-R330 PolarHBondContact O-N 2.68Å; D326-R330 IonicContact OD1-NH1 2.66Å; D326-R330 IonicContact OD2-CZ 3.81Å; D326-R330 IonicContact OD2-NH1 3.17Å; D326-R330 PolarHBondContact OD2-NH1 2.73Å; D326-R330 IonicContact OD2-NH2 3.81Å; D326-R330 PolarHBondContact OD2-NH2 3.2Å; D326-R330 VanDerWaalsContact OD2-NH2 3.08Å; D326-Q370 PolarHBondContact OD1-NE2 2.74Å
327R97.5Very high97.7Very high30 Ų3041.2 Ų41.211%0.11319%0.188CC..Hα-helixtrans-63.7-45.1173.3-177.618082.488.22.1112S252 E256 Y323 Q324 I325 R330 N331S252-R327 PolarHBondContact OG-NH2 3.41Å; E256-R327 IonicContact OE1-CZ 2.66Å; E256-R327 VanDerWaalsContact OE1-CZ 3.3Å; E256-R327 IonicContact OE1-NH1 3.09Å; E256-R327 PolarHBondContact OE1-NH1 3.39Å; E256-R327 IonicContact OE1-NH2 3.97Å; E256-R327 PolarHBondContact OE1-NH2 3Å; E256-R327 IonicContact OE2-CZ 3.77Å; E256-R327 IonicContact OE2-NH1 3.41Å; E256-R327 PolarHBondContact OE2-NH1 3.47Å; E256-R327 IonicContact OE2-NH2 2.71Å; Y323-R327 HydrophobicContact CE2-CB 4.44Å; Y323-R327 WeakPolarHBondContact O-CB 3.26Å; Y323-R327 PolarHBondContact O-N 3.43Å; Y323-R327 VanDerWaalsContact OH-CD 3.29Å; Y323-R327 WeakPolarHBondContact OH-CD 3.33Å; Q324-R327 PolarHBondContact O-N 3.27Å; Q324-R327 VanDerWaalsContact OE1-CZ 3.29Å; I325-R327 VanDerWaalsContact C-N 3.31Å; I325-R327 PolarHBondContact O-N 2.86Å; R327-R330 PolarHBondContact O-N 3.28Å; R327-N331 PolarHBondContact O-N 3.09Å
328F98.2Very high97.5Very high7 Ų746 Ų463%0.03121%0.213CC..Hα-helixtrans-62.4-46.6175-177.8-91.1000111.3L284 Q324 I325 R330 N331 V332 L367 L424 F451 I472L284-F328 HydrophobicContact CD1-CB 3.53Å; L284-F328 HydrophobicContact CD1-CD1 3.43Å; L284-F328 VanDerWaalsContact CD1-CD1 3.43Å; L284-F328 HydrophobicContact CD1-CD2 4.3Å; L284-F328 HydrophobicContact CD1-CE1 4.14Å; L284-F328 HydrophobicContact CD1-CG 3.49Å; L284-F328 VanDerWaalsContact CD1-CG 3.49Å; Q324-F328 PolarHBondContact O-N 2.81Å; I325-F328 PolarHBondContact O-N 3.44Å; F328-R330 PolarHBondContact O-N 2.73Å; F328-N331 WeakPolarHBondContact O-CB 3.37Å; F328-N331 PolarHBondContact O-N 3.04Å; F328-V332 HydrophobicContact CD1-CG2 4.17Å; F328-V332 HydrophobicContact CE1-CG2 3.91Å; F328-V332 HydrophobicContact CZ-CG2 4.46Å; F328-V332 WeakPolarHBondContact O-CG2 3.33Å; F328-V332 PolarHBondContact O-N 3.06Å; F328-L367 HydrophobicContact CD1-CD1 3.59Å; F328-L367 HydrophobicContact CE1-CD1 3.73Å; F328-L424 HydrophobicContact CE1-CD2 4.32Å; F328-L424 HydrophobicContact CE1-CG 4.38Å; F328-F451 HydrophobicContact CE1-CB 4.39Å; F328-F451 HydrophobicContact CE2-CB 4.11Å; F328-F451 HydrophobicContact CZ-CB 3.59Å; F328-I472 HydrophobicContact CD2-CD1 3.64Å; F328-I472 HydrophobicContact CD2-CG1 3.6Å; F328-I472 HydrophobicContact CE2-CD1 4.15Å; F328-I472 HydrophobicContact CE2-CG1 4.02Å; F328-I472 HydrophobicContact CG-CD1 4.41Å
329T98.1Very high97.3Very high0 Ų049.6 Ų49.60%024%0.236CC..Hα-helixtrans-61.5-43.8178.5-50.90000112.1I325 D326 N331 V332 I333 Q370 L371I325-T329 PolarHBondContact O-N 2.79Å; I325-T329 PolarHBondContact O-OG1 3.45Å; I325-T329 VanDerWaalsContact O-OG1 3.08Å; D326-T329 PolarHBondContact O-N 3.36Å; T329-N331 VanDerWaalsContact C-N 3.3Å; T329-N331 PolarHBondContact O-N 3.33Å; T329-V332 WeakPolarHBondContact O-CB 3.45Å; T329-V332 PolarHBondContact O-N 3.37Å; T329-V332 VanDerWaalsContact O-N 3.12Å; T329-I333 HydrophobicContact CG2-CD1 4.07Å; T329-I333 WeakPolarHBondContact O-CG1 3.42Å; T329-I333 PolarHBondContact O-N 3.13Å; T329-Q370 HydrophobicContact CG2-CB 3.75Å; T329-Q370 VanDerWaalsContact CG2-OE1 3.25Å; T329-Q370 PolarHBondContact OG1-OE1 3.06Å; T329-Q370 VanDerWaalsContact OG1-OE1 3.08Å; T329-L371 HydrophobicContact CG2-CD2 3.88Å; T329-L371 HydrophobicContact CG2-CG 4.22Å
330R97.4Very high97.2Very high114 Ų11445.8 Ų45.843%0.4322%0.218SC..Hα-helixtrans-58.4-42.6174.5-82-164.8-63.3-96.4-17.7112.2D326 R327 F328 V332 I333 E334D326-R330 WeakPolarHBondContact O-CB 3.36Å; D326-R330 WeakPolarHBondContact O-CG 3.2Å; D326-R330 PolarHBondContact O-N 2.68Å; D326-R330 IonicContact OD1-NH1 2.66Å; D326-R330 IonicContact OD2-CZ 3.81Å; D326-R330 IonicContact OD2-NH1 3.17Å; D326-R330 PolarHBondContact OD2-NH1 2.73Å; D326-R330 IonicContact OD2-NH2 3.81Å; D326-R330 PolarHBondContact OD2-NH2 3.2Å; D326-R330 VanDerWaalsContact OD2-NH2 3.08Å; R327-R330 PolarHBondContact O-N 3.28Å; F328-R330 PolarHBondContact O-N 2.73Å; R330-V332 VanDerWaalsContact C-N 3.3Å; R330-V332 PolarHBondContact O-N 3.12Å; R330-I333 PolarHBondContact O-N 3.16Å; R330-E334 WeakPolarHBondContact O-CB 3.49Å; R330-E334 PolarHBondContact O-N 2.95Å
331N96.8Very high97.1Very high33 Ų3349.8 Ų49.818%0.17623%0.234CC..Hα-helixtrans-60.4-41.9176-171.240.3000110.9R327 F328 T329 I333 E334 K335R327-N331 PolarHBondContact O-N 3.09Å; F328-N331 WeakPolarHBondContact O-CB 3.37Å; F328-N331 PolarHBondContact O-N 3.04Å; T329-N331 VanDerWaalsContact C-N 3.3Å; T329-N331 PolarHBondContact O-N 3.33Å; N331-I333 PolarHBondContact O-N 2.73Å; N331-E334 PolarHBondContact O-N 2.98Å; N331-K335 WeakPolarHBondContact O-CB 3.2Å; N331-K335 WeakPolarHBondContact O-CG 3.44Å; N331-K335 PolarHBondContact O-N 3.21Å; N331-K335 VanDerWaalsContact OD1-CE 3.29Å; N331-K335 WeakPolarHBondContact OD1-CE 3.28Å; N331-K335 VanDerWaalsContact OD1-CG 3.31Å; N331-K335 WeakPolarHBondContact OD1-CG 3.29Å
332V98Very high96.9Very high0 Ų052.2 Ų52.20%026%0.261CS..Hα-helixtrans-58.1-48.9173.9175.20000111.6F328 T329 R330 L336 L371 L424 F451F328-V332 HydrophobicContact CD1-CG2 4.17Å; F328-V332 HydrophobicContact CE1-CG2 3.91Å; F328-V332 HydrophobicContact CZ-CG2 4.46Å; F328-V332 WeakPolarHBondContact O-CG2 3.33Å; F328-V332 PolarHBondContact O-N 3.06Å; T329-V332 WeakPolarHBondContact O-CB 3.45Å; T329-V332 PolarHBondContact O-N 3.37Å; T329-V332 VanDerWaalsContact O-N 3.12Å; R330-V332 VanDerWaalsContact C-N 3.3Å; R330-V332 PolarHBondContact O-N 3.12Å; V332-L336 HydrophobicContact CG1-CD1 3.88Å; V332-L336 VanDerWaalsContact O-CB 3.31Å; V332-L336 WeakPolarHBondContact O-CB 3.35Å; V332-L336 WeakPolarHBondContact O-CG 3.26Å; V332-L336 PolarHBondContact O-N 3.03Å; V332-L371 HydrophobicContact CG1-CD2 4.09Å; V332-L424 HydrophobicContact CG1-CD2 4.32Å; V332-L424 HydrophobicContact CG2-CD2 4.05Å; V332-L424 HydrophobicContact CG2-CG 4.28Å; V332-F451 HydrophobicContact CB-CD1 4.48Å; V332-F451 HydrophobicContact CB-CE1 4.3Å; V332-F451 HydrophobicContact CB-CZ 4.36Å; V332-F451 HydrophobicContact CG1-CE2 4.26Å; V332-F451 HydrophobicContact CG1-CZ 4.39Å; V332-F451 HydrophobicContact CG2-CB 4.23Å; V332-F451 HydrophobicContact CG2-CD1 3.66Å; V332-F451 HydrophobicContact CG2-CD2 4.1Å; V332-F451 HydrophobicContact CG2-CE1 3.97Å; V332-F451 HydrophobicContact CG2-CE2 4.37Å; V332-F451 HydrophobicContact CG2-CG 3.74Å; V332-F451 HydrophobicContact CG2-CZ 4.31Å
333I97.8Very high96.9Very high26 Ų2651.2 Ų51.213%0.13325%0.254CS..Hα-helixtrans-61.4-49.5-179.8-67163.7000110.8T329 R330 N331 L336 H337 N338 L340 L371 E374T329-I333 HydrophobicContact CG2-CD1 4.07Å; T329-I333 WeakPolarHBondContact O-CG1 3.42Å; T329-I333 PolarHBondContact O-N 3.13Å; R330-I333 PolarHBondContact O-N 3.16Å; N331-I333 PolarHBondContact O-N 2.73Å; I333-L336 CarbonylContact O-C 3.57Å; I333-L336 PolarHBondContact O-N 3.48Å; I333-H337 PolarHBondContact O-N 3.47Å; I333-N338 WeakPolarHBondContact O-CA 3.48Å; I333-N338 PolarHBondContact O-N 3.29Å; I333-L340 HydrophobicContact CG1-CD1 3.76Å; I333-L340 HydrophobicContact CG1-CG 4.4Å; I333-L371 HydrophobicContact CG1-CD2 4.35Å; I333-E374 HydrophobicContact CD1-CG 3.89Å; I333-E374 HydrophobicContact CG1-CG 4.27Å
334E96.5Very high96.9Very high118 Ų11848.1 Ų48.155%0.55124%0.241SC*.Hα-helixtrans-61-49.3-179.1-176.1-176.116200111.5R330 N331 L336 H337 N338R330-E334 WeakPolarHBondContact O-CB 3.49Å; R330-E334 PolarHBondContact O-N 2.95Å; N331-E334 PolarHBondContact O-N 2.98Å; E334-L336 PolarHBondContact O-N 3.29Å; E334-H337 WeakPolarHBondContact O-CA 3.14Å; E334-H337 PolarHBondContact O-N 3.07Å; E334-N338 WeakPolarHBondContact CA-OD1 3.5Å
335K95.8Very high96.9Very high50 Ų5048.1 Ų48.122%0.21724%0.241CC..Hα-helixtrans-71.7-16.8-178.4-62.1-66.2-178.7133.50113N331 H337 R449 F451 E470 S476N331-K335 WeakPolarHBondContact O-CB 3.2Å; N331-K335 WeakPolarHBondContact O-CG 3.44Å; N331-K335 PolarHBondContact O-N 3.21Å; N331-K335 VanDerWaalsContact OD1-CE 3.29Å; N331-K335 WeakPolarHBondContact OD1-CE 3.28Å; N331-K335 VanDerWaalsContact OD1-CG 3.31Å; N331-K335 WeakPolarHBondContact OD1-CG 3.29Å; K335-H337 VanDerWaalsContact C-N 3.32Å; K335-R449 PolarHBondContact O-NE 2.93Å; K335-R449 VanDerWaalsContact O-NE 3.12Å; K335-R449 PolarHBondContact O-NH2 3.09Å; K335-F451 HydrophobicContact CB-CE1 3.82Å; K335-F451 HydrophobicContact CB-CZ 3.69Å; K335-F451 HydrophobicContact CG-CE1 4.13Å; K335-F451 HydrophobicContact CG-CZ 4.5Å; K335-E470 WeakPolarHBondContact CD-OE1 3.26Å; K335-E470 WeakPolarHBondContact CE-OE1 3.2Å; K335-E470 HydrophobicContact CG-CG 4.35Å; K335-E470 IonicContact NZ-OE1 2.77Å; K335-E470 PolarHBondContact NZ-OE1 3.37Å; K335-E470 IonicContact NZ-OE2 2.75Å; K335-S476 PolarHBondContact NZ-OG 3.28Å
336L96.7Very high97Very high2 Ų247.7 Ų47.71%0.0124%0.239CC..THydrogen-bonded Turntrans-9728.9165.9-65.7174.6000112.2V332 I333 E334 N338 L340 K343 I345 A422 F451V332-L336 HydrophobicContact CG1-CD1 3.88Å; V332-L336 VanDerWaalsContact O-CB 3.31Å; V332-L336 WeakPolarHBondContact O-CB 3.35Å; V332-L336 WeakPolarHBondContact O-CG 3.26Å; V332-L336 PolarHBondContact O-N 3.03Å; I333-L336 CarbonylContact O-C 3.57Å; I333-L336 PolarHBondContact O-N 3.48Å; E334-L336 PolarHBondContact O-N 3.29Å; L336-N338 PolarHBondContact O-N 3.25Å; L336-L340 HydrophobicContact CB-CD2 3.51Å; L336-L340 HydrophobicContact CD1-CD2 3.59Å; L336-L340 HydrophobicContact CG-CD2 4.2Å; L336-K343 PolarHBondContact O-NZ 3.22Å; L336-I345 HydrophobicContact CD1-CD1 4.12Å; L336-A422 HydrophobicContact CD1-CB 4.15Å; L336-A422 HydrophobicContact CD2-CB 4.48Å; L336-F451 HydrophobicContact CG-CE2 4.48Å
337H94.5Very high97Very high123 Ų12345.5 Ų45.557%0.56923%0.227SC*.THydrogen-bonded Turntrans64.731.9170.2-48.2-64.5000114.9I333 E334 K335 T339I333-H337 PolarHBondContact O-N 3.47Å; E334-H337 WeakPolarHBondContact O-CA 3.14Å; E334-H337 PolarHBondContact O-N 3.07Å; K335-H337 VanDerWaalsContact C-N 3.32Å; H337-T339 PolarHBondContact O-N 2.88Å
338N95Very high97.1Very high106 Ų10644 Ų4457%0.56722%0.222SC*.THydrogen-bonded Turntrans53.530.5177.8-60-55.6000113.7I333 E334 L336I333-N338 WeakPolarHBondContact O-CA 3.48Å; I333-N338 PolarHBondContact O-N 3.29Å; E334-N338 WeakPolarHBondContact CA-OD1 3.5Å; L336-N338 PolarHBondContact O-N 3.25Å
339T94.2Very high97.1Very high79 Ų7943.7 Ų43.749%0.48522%0.22SC..  trans-150.5110.7176.6-62.30000108.4H337 K341 K343H337-T339 PolarHBondContact O-N 2.88Å; T339-K341 HydrophobicContact CG2-CB 4.5Å; T339-K343 WeakPolarHBondContact O-CD 3.05Å; T339-K343 WeakPolarHBondContact O-CE 3.35Å; T339-K343 PolarHBondContact O-NZ 3.47Å
340L97Very high97.1Very high1 Ų143.7 Ų43.71%0.00522%0.22CC..  trans-104.7-9.5177.6-55.3-172.1000113.7I333 L336 G342 K343 I345 L371 E374 A376I333-L340 HydrophobicContact CG1-CD1 3.76Å; I333-L340 HydrophobicContact CG1-CG 4.4Å; L336-L340 HydrophobicContact CB-CD2 3.51Å; L336-L340 HydrophobicContact CD1-CD2 3.59Å; L336-L340 HydrophobicContact CG-CD2 4.2Å; L340-G342 PolarHBondContact O-N 2.86Å; L340-K343 WeakPolarHBondContact O-CB 3.34Å; L340-K343 PolarHBondContact O-N 3.17Å; L340-I345 HydrophobicContact CD1-CD1 3.96Å; L340-I345 HydrophobicContact CD2-CD1 4.26Å; L340-L371 HydrophobicContact CD1-CD2 3.44Å; L340-L371 VanDerWaalsContact CD1-CD2 3.44Å; L340-E374 HydrophobicContact CB-CB 3.9Å; L340-E374 HydrophobicContact CD1-CB 3.87Å; L340-E374 HydrophobicContact CD1-CG 4.33Å; L340-E374 HydrophobicContact CG-CB 4.04Å; L340-A376 HydrophobicContact CB-CB 3.8Å; L340-A376 HydrophobicContact CD1-CB 4.17Å
341K96.2Very high97Very high144 Ų14438.3 Ų38.363%0.62620%0.2SC*.THydrogen-bonded Turntrans-53.1122.4177.3-173.3173-175.7165.20111.9T339 K343 E374 Q375T339-K341 HydrophobicContact CG2-CB 4.5Å; K341-K343 PolarHBondContact O-N 3.4Å; K341-E374 PolarHBondContact N-O 3.34Å; K341-Q375 WeakPolarHBondContact CA-O 3.36Å; K341-Q375 HydrophobicContact CB-CB 4.28Å; K341-Q375 VanDerWaalsContact CE-OE1 3.27Å; K341-Q375 HydrophobicContact CG-CB 4.24Å
342G94.1Very high96.9Very high58 Ų5838 Ų3860%0.59820%0.197SC*.THydrogen-bonded Turntrans73.78.1-179.200000114.5L340L340-G342 PolarHBondContact O-N 2.86Å
343K98.2Very high96.6Very high30 Ų3040.3 Ų40.313%0.1321%0.207CC..  trans-96123.9171.4-63.1-175.3-178.6161.50109.4L336 T339 L340 K341 E377 Y421L336-K343 PolarHBondContact O-NZ 3.22Å; T339-K343 WeakPolarHBondContact O-CD 3.05Å; T339-K343 WeakPolarHBondContact O-CE 3.35Å; T339-K343 PolarHBondContact O-NZ 3.47Å; L340-K343 WeakPolarHBondContact O-CB 3.34Å; L340-K343 PolarHBondContact O-N 3.17Å; K341-K343 PolarHBondContact O-N 3.4Å; K343-E377 PolarHBondContact O-N 2.97Å; K343-Y421 HydrophobicContact CB-CD2 3.76Å; K343-Y421 HydrophobicContact CB-CE2 4.16Å; K343-Y421 HydrophobicContact CB-CG 4.11Å; K343-Y421 HydrophobicContact CD-CD1 4.3Å; K343-Y421 HydrophobicContact CD-CG 4.29Å; K343-Y421 HydrophobicContact CG-CD1 4.31Å; K343-Y421 HydrophobicContact CG-CD2 3.97Å; K343-Y421 HydrophobicContact CG-CE1 4.38Å; K343-Y421 HydrophobicContact CG-CE2 4.06Å; K343-Y421 HydrophobicContact CG-CG 4.1Å
344R98.6Very high96.4Very high34 Ų3439.7 Ų39.713%0.12821%0.206CC..EExtended strand (participates in β ladder)trans-78.8129.8168.9-173.1175.3175.4100.3-5.5110.3E377 A379 H408 E415 T418 A420 Y421R344-E377 CarbonylContact C-O 3.43Å; R344-E377 VanDerWaalsContact CA-O 3.26Å; R344-E377 WeakPolarHBondContact CA-O 3.43Å; R344-E377 HydrophobicContact CB-CB 4.42Å; R344-E377 WeakPolarHBondContact CD-OE1 3.5Å; R344-E377 HydrophobicContact CG-CG 4.41Å; R344-E377 IonicContact CZ-OE1 3.88Å; R344-E377 IonicContact NE-OE1 2.94Å; R344-E377 IonicContact NH1-OE1 3.98Å; R344-E377 PolarHBondContact NH1-OE1 3.14Å; R344-A379 HydrophobicContact CG-CB 4.22Å; R344-A379 VanDerWaalsContact CZ-CB 3.46Å; R344-H408 PolarHBondContact NH1-CD2 3.07Å; R344-H408 VanDerWaalsContact NH1-CD2 3.29Å; R344-E415 PolarHBondContact NH2-O 3.24Å; R344-T418 WeakPolarHBondContact CD-O 3.38Å; R344-T418 PolarHBondContact NE-O 3.44Å; R344-A420 HydrophobicContact CG-CB 4.4Å; R344-A420 CarbonylContact O-C 3.53Å; R344-A420 VanDerWaalsContact O-CA 3.3Å; R344-A420 WeakPolarHBondContact O-CA 3.37Å; R344-Y421 PolarHBondContact O-N 2.95Å
345I98.9Very high96Very high0 Ų038 Ų380%020%0.201CC..EExtended strand (participates in β ladder)trans-123118.6-178.2-57.6-176.5000108.2L336 L340 I347 L371 A376 E377 L378 A379 L424L336-I345 HydrophobicContact CD1-CD1 4.12Å; L340-I345 HydrophobicContact CD1-CD1 3.96Å; L340-I345 HydrophobicContact CD2-CD1 4.26Å; I345-I347 HydrophobicContact CG2-CD1 3.86Å; I345-L371 HydrophobicContact CD1-CD1 4.28Å; I345-L371 HydrophobicContact CD1-CD2 4.28Å; I345-L371 HydrophobicContact CG2-CD1 4.44Å; I345-A376 HydrophobicContact CD1-CB 3.81Å; I345-A376 HydrophobicContact CG1-CB 4.41Å; I345-E377 PolarHBondContact N-O 2.98Å; I345-L378 HydrophobicContact CB-CD2 4.1Å; I345-A379 PolarHBondContact O-N 3.43Å; I345-L424 HydrophobicContact CG2-CD1 3.26Å; I345-L424 HydrophobicContact CG2-CD2 4.03Å; I345-L424 HydrophobicContact CG2-CG 4.24Å
346A98.9Very high95.7Very high0 Ų035.7 Ų35.70%019%0.191CC..EExtended strand (participates in β ladder)trans-81.8119.617700000110F348 A379 A416 V417 A420 A422 I423 L424A346-F348 HydrophobicContact CB-CD1 4.32Å; A346-F348 HydrophobicContact CB-CE1 4.06Å; A346-A379 CarbonylContact C-O 3.51Å; A346-A379 WeakPolarHBondContact CA-O 3.27Å; A346-A416 HydrophobicContact CB-CB 4.23Å; A346-A416 WeakPolarHBondContact CB-O 3.44Å; A346-V417 HydrophobicContact CB-CG1 4.19Å; A346-A420 HydrophobicContact CB-CB 4.06Å; A346-A422 PolarHBondContact N-O 3.44Å; A346-I423 HydrophobicContact CB-CG1 4.23Å; A346-I423 CarbonylContact O-C 3.56Å; A346-I423 WeakPolarHBondContact O-CA 3.34Å; A346-L424 PolarHBondContact O-N 3.24Å
347I98.9Very high95.3Very high0 Ų038.7 Ų38.70%020%0.202CC..EExtended strand (participates in β ladder)trans-100.5111.3177.4-51.3-59000107.9I345 V364 L367 L371 L378 A379 I380 Y381 L424I345-I347 HydrophobicContact CG2-CD1 3.86Å; I347-V364 HydrophobicContact CG2-CG1 3.67Å; I347-L367 HydrophobicContact CD1-CD2 4.16Å; I347-L371 HydrophobicContact CD1-CD1 4.12Å; I347-L378 HydrophobicContact CD1-CD2 4.45Å; I347-A379 PolarHBondContact N-O 3.17Å; I347-I380 HydrophobicContact CB-CB 4.44Å; I347-I380 HydrophobicContact CB-CG1 4.08Å; I347-I380 HydrophobicContact CB-CG2 4.44Å; I347-I380 HydrophobicContact CG1-CG1 4.13Å; I347-Y381 PolarHBondContact O-N 2.94Å; I347-L424 HydrophobicContact CD1-CB 4.15Å; I347-L424 HydrophobicContact CD1-CD2 3.71Å; I347-L424 HydrophobicContact CD1-CG 4.39Å
348F98.8Very high95.1Very high0 Ų033.3 Ų33.30%018%0.178CC..EExtended strand (participates in β ladder)trans-98.3105179-83.629.2000108.8A346 P413 A416 V417 I423 L424 I425 C426 T427 F432 Y435 F440A346-F348 HydrophobicContact CB-CD1 4.32Å; A346-F348 HydrophobicContact CB-CE1 4.06Å; F348-P413 HydrophobicContact CE1-CB 4.49Å; F348-P413 HydrophobicContact CE2-CB 4.29Å; F348-P413 HydrophobicContact CZ-CB 3.82Å; F348-A416 HydrophobicContact CE1-CB 4.04Å; F348-V417 HydrophobicContact CE1-CG1 3.66Å; F348-V417 HydrophobicContact CZ-CG1 3.47Å; F348-V417 VanDerWaalsContact CZ-CG1 3.47Å; F348-I423 HydrophobicContact CB-CG2 4.35Å; F348-I423 HydrophobicContact CD1-CG2 3.8Å; F348-I423 HydrophobicContact CD2-CG2 3.88Å; F348-I423 HydrophobicContact CE1-CG2 4.01Å; F348-I423 HydrophobicContact CE2-CG2 4.08Å; F348-I423 HydrophobicContact CG-CG2 3.74Å; F348-I423 HydrophobicContact CZ-CG2 4.15Å; F348-L424 WeakPolarHBondContact CB-O 3.3Å; F348-L424 PolarHBondContact N-O 3.4Å; F348-I425 HydrophobicContact CB-CD1 3.98Å; F348-I425 HydrophobicContact CD2-CD1 3.89Å; F348-I425 HydrophobicContact CG-CD1 4.26Å; F348-C426 WeakPolarHBondContact O-CB 3.48Å; F348-C426 PolarHBondContact O-N 3.18Å; F348-T427 PolarHBondContact O-N 3.32Å; F348-F432 VanDerWaalsContact C-CE2 3.45Å; F348-F432 HydrophobicContact CB-CD2 4.17Å; F348-F432 HydrophobicContact CB-CE2 3.74Å; F348-F432 HydrophobicContact CB-CZ 3.91Å; F348-F432 HydrophobicContact CD2-CD1 4.27Å; F348-F432 HydrophobicContact CD2-CE1 4.4Å; F348-F432 HydrophobicContact CD2-CG 4.34Å; F348-F432 WeakPolarHBondContact O-CE2 3.42Å; F348-Y435 HydrophobicContact CE2-CD2 4.03Å; F348-Y435 HydrophobicContact CE2-CE2 4.18Å; F348-F440 AromaticContact CE2-CE2 3.86Å; F348-F440 HydrophobicContact CE2-CE2 3.86Å; F348-F440 HydrophobicContact CZ-CD2 4.44Å; F348-F440 AromaticContact CZ-CE2 3.93Å; F348-F440 HydrophobicContact CZ-CE2 3.93Å; F348-F440 HydrophobicContact CZ-CZ 4.45Å
349G98.2Very high94.9Very high0 Ų028.3 Ų28.30%015%0.151CC..  trans97.2132.4-175.300000113Y381 D382 C426 T427G349-Y381 PolarHBondContact N-O 2.61Å; G349-D382 WeakPolarHBondContact CA-OD2 3.42Å; G349-C426 WeakPolarHBondContact O-CB 3.39Å; G349-T427 WeakPolarHBondContact CA-OG1 3.46Å
350F98.2Very high94.7Very high0 Ų030 Ų300%015%0.149CC..  trans-129-25.7176.5-166.3-94.4000112.7S362 V364 I365 I380 D382 A385 I390 D393 L394F350-S362 VanDerWaalsContact O-CB 3.28Å; F350-S362 WeakPolarHBondContact O-CB 3.5Å; F350-S362 PolarHBondContact O-OG 3.48Å; F350-V364 HydrophobicContact CD2-CB 4.47Å; F350-V364 HydrophobicContact CD2-CG1 4.03Å; F350-I365 HydrophobicContact CE1-CG1 4.14Å; F350-I365 HydrophobicContact CE2-CG1 4.37Å; F350-I365 HydrophobicContact CZ-CG1 3.71Å; F350-I380 HydrophobicContact CB-CG2 4.04Å; F350-I380 HydrophobicContact CD2-CD1 4.2Å; F350-I380 HydrophobicContact CD2-CG2 3.87Å; F350-I380 HydrophobicContact CE2-CD1 4.18Å; F350-I380 HydrophobicContact CG-CG2 4.26Å; F350-D382 HydrophobicContact CB-CB 4.1Å; F350-D382 PolarHBondContact N-OD2 2.85Å; F350-A385 HydrophobicContact CB-CB 4.45Å; F350-I390 HydrophobicContact CB-CD1 4.32Å; F350-I390 HydrophobicContact CB-CG1 4.37Å; F350-I390 HydrophobicContact CD1-CB 4.19Å; F350-I390 HydrophobicContact CD1-CD1 4.43Å; F350-I390 HydrophobicContact CD1-CG1 3.59Å; F350-I390 HydrophobicContact CD1-CG2 4.2Å; F350-I390 HydrophobicContact CD2-CG2 4.08Å; F350-I390 HydrophobicContact CE1-CB 4.08Å; F350-I390 HydrophobicContact CE1-CG1 3.97Å; F350-I390 HydrophobicContact CE1-CG2 4.02Å; F350-I390 HydrophobicContact CE2-CG2 3.91Å; F350-I390 HydrophobicContact CG-CD1 4.35Å; F350-I390 HydrophobicContact CG-CG1 3.95Å; F350-I390 HydrophobicContact CG-CG2 4.21Å; F350-I390 HydrophobicContact CZ-CB 4.4Å; F350-I390 HydrophobicContact CZ-CG2 3.86Å; F350-D393 HydrophobicContact CE1-CB 4.13Å; F350-D393 HydrophobicContact CZ-CB 4.21Å; F350-L394 HydrophobicContact CE2-CD1 4.24Å; F350-L394 HydrophobicContact CE2-CD2 4.12Å; F350-L394 HydrophobicContact CE2-CG 4.17Å; F350-L394 HydrophobicContact CZ-CD1 4.44Å; F350-L394 HydrophobicContact CZ-CD2 4.15Å; F350-L394 HydrophobicContact CZ-CG 3.99Å
351T95.7Very high94.5Very high0 Ų033.9 Ų33.90%017%0.169CC..SBendtrans-60.1164.4172.157.80000111.7K353 T356 D358 S362 D382 A385 T427 W429T351-K353 WeakPolarHBondContact CB-O 3.44Å; T351-K353 PolarHBondContact O-N 2.97Å; T351-K353 PolarHBondContact OG1-O 3.16Å; T351-T356 WeakPolarHBondContact CG2-O 3.15Å; T351-D358 WeakPolarHBondContact CA-O 3.44Å; T351-D358 VanDerWaalsContact CB-O 3.31Å; T351-D358 WeakPolarHBondContact CB-O 3.36Å; T351-S362 PolarHBondContact O-OG 3.43Å; T351-D382 PolarHBondContact N-OD2 3.2Å; T351-D382 PolarHBondContact OG1-OD2 3.14Å; T351-A385 HydrophobicContact CG2-CB 3.83Å; T351-T427 WeakPolarHBondContact O-CG2 3.44Å; T351-W429 HydrophobicContact CG2-CZ2 4.43Å
352F94.1Very high94.6Very high27 Ų2727 Ų2712%0.11814%0.14CC..SBendtrans-74.3-17.3179.173.4-96.9000113.3E178 G288 T356 D358E178-F352 HydrophobicContact CB-CZ 4.42Å; E178-F352 HydrophobicContact CG-CZ 4.4Å; E178-F352 VanDerWaalsContact OE2-CE1 3.32Å; E178-F352 WeakPolarHBondContact OE2-CE1 3.31Å; E178-F352 WeakPolarHBondContact OE2-CZ 3.42Å; G288-F352 VanDerWaalsContact CA-CG 3.41Å; F352-T356 HydrophobicContact CD1-CG2 4.43Å; F352-T356 HydrophobicContact CE1-CG2 4.07Å; F352-T356 HydrophobicContact CZ-CG2 4.35Å; F352-D358 HydrophobicContact CD1-CB 4.11Å; F352-D358 WeakPolarHBondContact CD1-O 3.32Å; F352-D358 HydrophobicContact CE1-CB 3.75Å; F352-D358 PolarHBondContact N-O 3.29Å; F352-D358 VanDerWaalsContact N-O 3.09Å
353K92.9Very high94.7Very high49 Ų4924.4 Ų24.421%0.21311%0.112CC..SBendtrans-161.9171.7173.565.7176.6-175.1173.20111E178 T351 T356E178-K353 WeakPolarHBondContact O-CE 3.45Å; E178-K353 PolarHBondContact O-NZ 2.63Å; T351-K353 WeakPolarHBondContact CB-O 3.44Å; T351-K353 PolarHBondContact O-N 2.97Å; T351-K353 PolarHBondContact OG1-O 3.16Å; K353-T356 HydrophobicContact CG-CG2 3.97Å; K353-T356 WeakPolarHBondContact O-CG2 3.24Å
354A92.5Very high94.7Very high12 Ų1223 Ų2310%0.09911%0.106CC..THydrogen-bonded Turntrans-63.3163.7171.500000114T356 D428 W429A354-T356 VanDerWaalsContact C-N 3.26Å; A354-T356 PolarHBondContact O-N 3.16Å; A354-D428 WeakPolarHBondContact CB-OD1 3.3Å; A354-D428 PolarHBondContact N-OD1 2.85Å; A354-W429 HydrophobicContact CB-CD2 3.94Å; A354-W429 HydrophobicContact CB-CE3 3.94Å; A354-W429 HydrophobicContact CB-CG 4.28Å; A354-W429 HydrophobicContact CB-CZ3 4.47Å
355D89Confident94.7Very high83 Ų8322.4 Ų22.444%0.44411%0.105SC..THydrogen-bonded Turntrans60.925173.3-57.2-50.9000115.8G179 W429G179-D355 WeakPolarHBondContact CA-O 3.38Å; D355-W429 VanDerWaalsContact CA-CZ3 3.48Å; D355-W429 HydrophobicContact CB-CZ3 4.47Å
356T88.5Confident94.6Very high2 Ų225 Ų251%0.01212%0.122CC..  trans-135.2166169.1-178.60000109.8E178 T351 F352 K353 A354 D358 W429E178-T356 WeakPolarHBondContact OE2-CB 3.22Å; E178-T356 PolarHBondContact OE2-OG1 2.86Å; T351-T356 WeakPolarHBondContact CG2-O 3.15Å; F352-T356 HydrophobicContact CD1-CG2 4.43Å; F352-T356 HydrophobicContact CE1-CG2 4.07Å; F352-T356 HydrophobicContact CZ-CG2 4.35Å; K353-T356 HydrophobicContact CG-CG2 3.97Å; K353-T356 WeakPolarHBondContact O-CG2 3.24Å; A354-T356 VanDerWaalsContact C-N 3.26Å; A354-T356 PolarHBondContact O-N 3.16Å; T356-D358 HydrophobicContact CG2-CB 4.47Å; T356-D358 WeakPolarHBondContact OG1-CB 3.22Å; T356-D358 PolarHBondContact OG1-N 3.4Å; T356-W429 WeakPolarHBondContact O-CH2 3.27Å; T356-W429 WeakPolarHBondContact O-CZ2 3.48Å
357Y89Confident94.6Very high64 Ų6425 Ų2525%0.25112%0.122SC..  trans-98.6-5.4164.263.3-103.8000112.1P49 S359P49-Y357 PolarHBondContact O-OH 3.04Å; Y357-S359 PolarHBondContact O-N 2.83Å
358D89.6Confident94.5Very high11 Ų1125 Ų256%0.05912%0.122CC..  trans-75.6123.5-171.4-17517.9000111.6E178 T351 F352 T356 R360E178-D358 WeakPolarHBondContact OE2-CB 3.5Å; T351-D358 WeakPolarHBondContact CA-O 3.44Å; T351-D358 VanDerWaalsContact CB-O 3.31Å; T351-D358 WeakPolarHBondContact CB-O 3.36Å; F352-D358 HydrophobicContact CD1-CB 4.11Å; F352-D358 WeakPolarHBondContact CD1-O 3.32Å; F352-D358 HydrophobicContact CE1-CB 3.75Å; F352-D358 PolarHBondContact N-O 3.29Å; F352-D358 VanDerWaalsContact N-O 3.09Å; T356-D358 HydrophobicContact CG2-CB 4.47Å; T356-D358 WeakPolarHBondContact OG1-CB 3.22Å; T356-D358 PolarHBondContact OG1-N 3.4Å; D358-R360 VanDerWaalsContact CG-NE 3.27Å; D358-R360 VanDerWaalsContact OD1-CB 3.22Å; D358-R360 WeakPolarHBondContact OD1-CB 3.44Å; D358-R360 WeakPolarHBondContact OD1-CG 3.42Å; D358-R360 IonicContact OD1-CZ 4Å; D358-R360 PolarHBondContact OD1-N 3.3Å; D358-R360 IonicContact OD1-NE 3.15Å; D358-R360 PolarHBondContact OD1-NE 2.74Å; D358-R360 IonicContact OD1-NH2 3.76Å; D358-R360 IonicContact OD2-CZ 2.73Å; D358-R360 IonicContact OD2-NE 3.04Å; D358-R360 PolarHBondContact OD2-NE 2.86Å; D358-R360 IonicContact OD2-NH2 3.8Å; D358-R360 PolarHBondContact OD2-NH2 3.38Å
359S92.6Very high94.5Very high0 Ų025.5 Ų25.50%012%0.124CC..  trans-107.82.2176.850.40000113.1Y357 D361 S362 I365 Q389 D393Y357-S359 PolarHBondContact O-N 2.83Å; S359-D361 PolarHBondContact O-N 3.47Å; S359-S362 WeakPolarHBondContact O-CB 3.35Å; S359-S362 PolarHBondContact O-N 2.88Å; S359-I365 VanDerWaalsContact O-CD1 3.3Å; S359-I365 WeakPolarHBondContact O-CD1 3.46Å; S359-Q389 VanDerWaalsContact OG-CG 3.29Å; S359-Q389 WeakPolarHBondContact OG-CG 3.29Å; S359-D393 VanDerWaalsContact CB-OD2 3.28Å; S359-D393 WeakPolarHBondContact CB-OD2 3.42Å; S359-D393 PolarHBondContact OG-OD2 3.3Å
360R89.8Confident94.4Very high116 Ų11627.9 Ų27.944%0.43814%0.136SC..THydrogen-bonded Turntrans-56.5131.6178.7-71.2175.1-62169.32.8111.3E178 G288 S289 D358 S362E178-R360 IonicContact OE1-NH2 3.6Å; G288-R360 VanDerWaalsContact CA-O 3.25Å; G288-R360 WeakPolarHBondContact CA-O 3Å; G288-R360 PolarHBondContact N-O 3.49Å; G288-R360 VanDerWaalsContact N-O 3.16Å; S289-R360 PolarHBondContact OG-NH2 3.47Å; S289-R360 VanDerWaalsContact OG-NH2 3.16Å; D358-R360 VanDerWaalsContact CG-NE 3.27Å; D358-R360 VanDerWaalsContact OD1-CB 3.22Å; D358-R360 WeakPolarHBondContact OD1-CB 3.44Å; D358-R360 WeakPolarHBondContact OD1-CG 3.42Å; D358-R360 IonicContact OD1-CZ 4Å; D358-R360 PolarHBondContact OD1-N 3.3Å; D358-R360 IonicContact OD1-NE 3.15Å; D358-R360 PolarHBondContact OD1-NE 2.74Å; D358-R360 IonicContact OD1-NH2 3.76Å; D358-R360 IonicContact OD2-CZ 2.73Å; D358-R360 IonicContact OD2-NE 3.04Å; D358-R360 PolarHBondContact OD2-NE 2.86Å; D358-R360 IonicContact OD2-NH2 3.8Å; D358-R360 PolarHBondContact OD2-NH2 3.38Å; R360-S362 PolarHBondContact O-N 3.28Å
361D92.5Very high94.4Very high81 Ų8127.9 Ų27.943%0.43314%0.136SC..THydrogen-bonded Turntrans50.225.8-177.2-71.7-36000113.4G287 S359G287-D361 WeakPolarHBondContact CA-O 3.49Å; S359-D361 PolarHBondContact O-N 3.47Å
362S96.8Very high94.4Very high1 Ų128.4 Ų28.41%0.00714%0.138CC..  trans-58.6133.8177.3174.10000110.2F350 T351 S359 R360 V364 I365 P366F350-S362 VanDerWaalsContact O-CB 3.28Å; F350-S362 WeakPolarHBondContact O-CB 3.5Å; F350-S362 PolarHBondContact O-OG 3.48Å; T351-S362 PolarHBondContact O-OG 3.43Å; S359-S362 WeakPolarHBondContact O-CB 3.35Å; S359-S362 PolarHBondContact O-N 2.88Å; R360-S362 PolarHBondContact O-N 3.28Å; S362-V364 PolarHBondContact O-N 3.01Å; S362-V364 VanDerWaalsContact O-N 3.1Å; S362-V364 WeakPolarHBondContact OG-CB 3.23Å; S362-V364 WeakPolarHBondContact OG-CG2 3.48Å; S362-V364 PolarHBondContact OG-N 3.5Å; S362-I365 PolarHBondContact O-N 3.31Å; S362-I365 VanDerWaalsContact O-N 3.12Å; S362-P366 VanDerWaalsContact O-CD 3.23Å; S362-P366 WeakPolarHBondContact O-CD 3.28Å
363P97.2Very high94.4Very high3 Ų333.9 Ų33.92%0.01916%0.164CC..THydrogen-bonded Turntrans-63.6-15.417629.4-36.5000112.3L284 I325 P366L284-P363 HydrophobicContact CD2-CB 4.2Å; L284-P363 HydrophobicContact CD2-CG 4.28Å; L284-P363 HydrophobicContact CG-CB 4.19Å; I325-P363 HydrophobicContact CD1-CB 3.58Å; I325-P363 HydrophobicContact CG1-CB 3.8Å; P363-P366 WeakPolarHBondContact O-CD 3.35Å; P363-P366 WeakPolarHBondContact O-CG 3.38Å
364V98.2Very high94.6Very high0 Ų035.6 Ų35.60%017%0.173CC..Hα-helixtrans-72.6-30177.5-166.80000111.7L284 I347 F350 S362 L367 C368 C426L284-V364 HydrophobicContact CD2-CG2 4.36Å; I347-V364 HydrophobicContact CG2-CG1 3.67Å; F350-V364 HydrophobicContact CD2-CB 4.47Å; F350-V364 HydrophobicContact CD2-CG1 4.03Å; S362-V364 PolarHBondContact O-N 3.01Å; S362-V364 VanDerWaalsContact O-N 3.1Å; S362-V364 WeakPolarHBondContact OG-CB 3.23Å; S362-V364 WeakPolarHBondContact OG-CG2 3.48Å; S362-V364 PolarHBondContact OG-N 3.5Å; V364-L367 WeakPolarHBondContact O-CB 3.5Å; V364-L367 PolarHBondContact O-N 3.29Å; V364-C368 WeakPolarHBondContact O-CB 3.48Å; V364-C368 PolarHBondContact O-N 3.17Å; V364-C368 PolarHBondContact O-SG 2.98Å; V364-C368 VanDerWaalsContact O-SG 3.33Å; V364-C426 HydrophobicContact CG1-CB 4.15Å; V364-C426 HydrophobicContact CG2-CB 3.55Å
365I97.8Very high94.6Very high22 Ų2239.1 Ų39.111%0.11319%0.188CC..Hα-helixtrans-60.8-56.1178.9-66.4163.8000111.7F350 S359 S362 L367 C368 N369 D393F350-I365 HydrophobicContact CE1-CG1 4.14Å; F350-I365 HydrophobicContact CE2-CG1 4.37Å; F350-I365 HydrophobicContact CZ-CG1 3.71Å; S359-I365 VanDerWaalsContact O-CD1 3.3Å; S359-I365 WeakPolarHBondContact O-CD1 3.46Å; S362-I365 PolarHBondContact O-N 3.31Å; S362-I365 VanDerWaalsContact O-N 3.12Å; I365-L367 VanDerWaalsContact C-N 3.3Å; I365-L367 PolarHBondContact O-N 2.96Å; I365-C368 PolarHBondContact O-N 2.97Å; I365-N369 WeakPolarHBondContact CG2-ND2 3.06Å; I365-N369 PolarHBondContact O-N 3.4Å; I365-N369 PolarHBondContact O-ND2 2.92Å; I365-D393 HydrophobicContact CD1-CB 3.84Å; I365-D393 HydrophobicContact CG1-CB 4.25Å
366P97.5Very high95Very high54 Ų5435.2 Ų35.235%0.35117%0.166SC..Hα-helixtrans-62.3-35176.320.9-29.9000113I325 S362 P363 N369 Q370I325-P366 HydrophobicContact CD1-CG 4.18Å; I325-P366 HydrophobicContact CG2-CB 4.49Å; I325-P366 HydrophobicContact CG2-CG 4.12Å; S362-P366 VanDerWaalsContact O-CD 3.23Å; S362-P366 WeakPolarHBondContact O-CD 3.28Å; P363-P366 WeakPolarHBondContact O-CD 3.35Å; P363-P366 WeakPolarHBondContact O-CG 3.38Å; P366-N369 PolarHBondContact O-N 3.4Å; P366-Q370 WeakPolarHBondContact O-CG 3.36Å; P366-Q370 PolarHBondContact O-N 3.06Å
367L98.4Very high95.5Very high0 Ų037.7 Ų37.70%018%0.178CC..Hα-helixtrans-58.7-52.5172.4174.4155.3000111.3L284 I325 F328 I347 V364 I365 N369 Q370 L371 L424L284-L367 HydrophobicContact CD1-CD1 3.92Å; L284-L367 HydrophobicContact CD2-CD1 3.9Å; I325-L367 HydrophobicContact CG2-CB 4.27Å; F328-L367 HydrophobicContact CD1-CD1 3.59Å; F328-L367 HydrophobicContact CE1-CD1 3.73Å; I347-L367 HydrophobicContact CD1-CD2 4.16Å; V364-L367 WeakPolarHBondContact O-CB 3.5Å; V364-L367 PolarHBondContact O-N 3.29Å; I365-L367 VanDerWaalsContact C-N 3.3Å; I365-L367 PolarHBondContact O-N 2.96Å; L367-N369 VanDerWaalsContact C-N 3.32Å; L367-N369 PolarHBondContact O-N 2.81Å; L367-Q370 PolarHBondContact O-N 3.37Å; L367-L371 HydrophobicContact CD2-CD1 3.56Å; L367-L371 HydrophobicContact CD2-CG 4.31Å; L367-L371 HydrophobicContact CG-CD1 4.34Å; L367-L371 WeakPolarHBondContact O-CG 3.47Å; L367-L371 PolarHBondContact O-N 3.15Å; L367-L424 HydrophobicContact CD1-CD2 4.36Å; L367-L424 HydrophobicContact CD2-CD2 4.02Å
368C98.3Very high96Very high0 Ų034.7 Ų34.70%017%0.166CC..Hα-helixtrans-60.5-42.6178.8-74.10000111.4V364 I365 Q370 L371 L372 L378 L394V364-C368 WeakPolarHBondContact O-CB 3.48Å; V364-C368 PolarHBondContact O-N 3.17Å; V364-C368 PolarHBondContact O-SG 2.98Å; V364-C368 VanDerWaalsContact O-SG 3.33Å; I365-C368 PolarHBondContact O-N 2.97Å; C368-Q370 VanDerWaalsContact C-N 3.33Å; C368-Q370 PolarHBondContact O-N 2.84Å; C368-L371 PolarHBondContact O-N 3.47Å; C368-L372 WeakPolarHBondContact O-CB 3.23Å; C368-L372 VanDerWaalsContact O-CG 3.26Å; C368-L372 WeakPolarHBondContact O-CG 3.27Å; C368-L372 PolarHBondContact O-N 2.79Å; C368-L378 HydrophobicContact CB-CD1 3.67Å; C368-L394 HydrophobicContact CB-CD2 3.74Å
369N97.3Very high96.4Very high10 Ų1034.1 Ų34.15%0.05316%0.163CC..Hα-helixtrans-59.8-42.8177.2-68-32.2000112I365 P366 L367 L372 Q373 N397 N398I365-N369 WeakPolarHBondContact CG2-ND2 3.06Å; I365-N369 PolarHBondContact O-N 3.4Å; I365-N369 PolarHBondContact O-ND2 2.92Å; P366-N369 PolarHBondContact O-N 3.4Å; L367-N369 VanDerWaalsContact C-N 3.32Å; L367-N369 PolarHBondContact O-N 2.81Å; N369-L372 PolarHBondContact O-N 2.79Å; N369-Q373 VanDerWaalsContact O-CG 3.3Å; N369-Q373 WeakPolarHBondContact O-CG 3.19Å; N369-Q373 PolarHBondContact O-N 2.69Å; N369-Q373 VanDerWaalsContact O-N 3.1Å; N369-N397 PolarHBondContact ND2-ND2 3.3Å; N369-N398 PolarHBondContact OD1-ND2 3.37Å
370Q96.8Very high96.7Very high51 Ų5134.1 Ų34.124%0.23816%0.163CC..Hα-helixtrans-66.8-41.5176.4-75.3-178.1-14.900111.9D326 T329 P366 L367 C368 L372 Q373 E374D326-Q370 PolarHBondContact OD1-NE2 2.74Å; T329-Q370 HydrophobicContact CG2-CB 3.75Å; T329-Q370 VanDerWaalsContact CG2-OE1 3.25Å; T329-Q370 PolarHBondContact OG1-OE1 3.06Å; T329-Q370 VanDerWaalsContact OG1-OE1 3.08Å; P366-Q370 WeakPolarHBondContact O-CG 3.36Å; P366-Q370 PolarHBondContact O-N 3.06Å; L367-Q370 PolarHBondContact O-N 3.37Å; C368-Q370 VanDerWaalsContact C-N 3.33Å; C368-Q370 PolarHBondContact O-N 2.84Å; Q370-L372 PolarHBondContact O-N 2.67Å; Q370-Q373 WeakPolarHBondContact O-CB 3.23Å; Q370-Q373 PolarHBondContact O-N 3.26Å; Q370-E374 PolarHBondContact O-N 2.66Å
371L98Very high97.1Very high0 Ų029.9 Ų29.90%015%0.147CC..Hα-helixtrans-65.8-36.7176.3-63.2177.3000112.5T329 V332 I333 L340 I345 I347 L367 C368 Q373 E374 A376 L378 L424T329-L371 HydrophobicContact CG2-CD2 3.88Å; T329-L371 HydrophobicContact CG2-CG 4.22Å; V332-L371 HydrophobicContact CG1-CD2 4.09Å; I333-L371 HydrophobicContact CG1-CD2 4.35Å; L340-L371 HydrophobicContact CD1-CD2 3.44Å; L340-L371 VanDerWaalsContact CD1-CD2 3.44Å; I345-L371 HydrophobicContact CD1-CD1 4.28Å; I345-L371 HydrophobicContact CD1-CD2 4.28Å; I345-L371 HydrophobicContact CG2-CD1 4.44Å; I347-L371 HydrophobicContact CD1-CD1 4.12Å; L367-L371 HydrophobicContact CD2-CD1 3.56Å; L367-L371 HydrophobicContact CD2-CG 4.31Å; L367-L371 HydrophobicContact CG-CD1 4.34Å; L367-L371 WeakPolarHBondContact O-CG 3.47Å; L367-L371 PolarHBondContact O-N 3.15Å; C368-L371 PolarHBondContact O-N 3.47Å; L371-Q373 VanDerWaalsContact C-N 3.33Å; L371-E374 WeakPolarHBondContact O-CB 3.39Å; L371-E374 PolarHBondContact O-N 3.11Å; L371-A376 HydrophobicContact CB-CB 4.16Å; L371-A376 WeakPolarHBondContact O-CB 3.42Å; L371-A376 PolarHBondContact O-N 3.36Å; L371-A376 VanDerWaalsContact O-N 3.14Å; L371-L378 HydrophobicContact CB-CD2 3.91Å; L371-L378 HydrophobicContact CD1-CD2 3.99Å; L371-L424 HydrophobicContact CD1-CD2 3.88Å
372L96.5Very high97.4Very high10 Ų1026.7 Ų26.75%0.05213%0.13CC..Hα-helixtrans-66.3-34.4175.2-73.5167.9000112.2C368 N369 Q370 E374 Q375 L378 L403 F406 V407C368-L372 WeakPolarHBondContact O-CB 3.23Å; C368-L372 VanDerWaalsContact O-CG 3.26Å; C368-L372 WeakPolarHBondContact O-CG 3.27Å; C368-L372 PolarHBondContact O-N 2.79Å; N369-L372 PolarHBondContact O-N 2.79Å; Q370-L372 PolarHBondContact O-N 2.67Å; L372-E374 PolarHBondContact O-N 2.71Å; L372-Q375 WeakPolarHBondContact O-CA 3.49Å; L372-Q375 PolarHBondContact O-N 2.85Å; L372-L378 HydrophobicContact CD1-CD1 4.14Å; L372-L378 HydrophobicContact CD2-CD1 4Å; L372-L378 HydrophobicContact CD2-CG 4.01Å; L372-L378 HydrophobicContact CG-CD1 3.7Å; L372-L378 HydrophobicContact CG-CG 4.22Å; L372-L403 HydrophobicContact CD1-CD2 3.79Å; L372-F406 HydrophobicContact CD2-CB 3.64Å; L372-V407 HydrophobicContact CD1-CG2 3.95Å; L372-V407 HydrophobicContact CD2-CG2 3.75Å; L372-V407 HydrophobicContact CG-CG2 4.44Å
373Q94.3Very high97.3Very high143 Ų14328.5 Ų28.567%0.66814%0.142SC*.Hα-helixtrans-61.5-31.2172.8-73169.15.300112N369 Q370 L371 Q375N369-Q373 VanDerWaalsContact O-CG 3.3Å; N369-Q373 WeakPolarHBondContact O-CG 3.19Å; N369-Q373 PolarHBondContact O-N 2.69Å; N369-Q373 VanDerWaalsContact O-N 3.1Å; Q370-Q373 WeakPolarHBondContact O-CB 3.23Å; Q370-Q373 PolarHBondContact O-N 3.26Å; L371-Q373 VanDerWaalsContact C-N 3.33Å; Q373-Q375 PolarHBondContact O-N 3.35Å
374E95.2Very high97Very high85 Ų8533.2 Ų33.240%0.39716%0.162SC..THydrogen-bonded Turntrans-81.89.1172.8-63.2-62.9155.800113.7I333 L340 K341 Q370 L371 L372 A376I333-E374 HydrophobicContact CD1-CG 3.89Å; I333-E374 HydrophobicContact CG1-CG 4.27Å; L340-E374 HydrophobicContact CB-CB 3.9Å; L340-E374 HydrophobicContact CD1-CB 3.87Å; L340-E374 HydrophobicContact CD1-CG 4.33Å; L340-E374 HydrophobicContact CG-CB 4.04Å; K341-E374 PolarHBondContact N-O 3.34Å; Q370-E374 PolarHBondContact O-N 2.66Å; L371-E374 WeakPolarHBondContact O-CB 3.39Å; L371-E374 PolarHBondContact O-N 3.11Å; L372-E374 PolarHBondContact O-N 2.71Å; E374-A376 PolarHBondContact O-N 3.34Å
375Q94.3Very high96.7Very high86 Ų8633.5 Ų33.540%0.40217%0.165SC..THydrogen-bonded Turntrans57.830.5-177.5-56.5-179.713.300113.7K341 L372 Q373K341-Q375 WeakPolarHBondContact CA-O 3.36Å; K341-Q375 HydrophobicContact CB-CB 4.28Å; K341-Q375 VanDerWaalsContact CE-OE1 3.27Å; K341-Q375 HydrophobicContact CG-CB 4.24Å; L372-Q375 WeakPolarHBondContact O-CA 3.49Å; L372-Q375 PolarHBondContact O-N 2.85Å; Q373-Q375 PolarHBondContact O-N 3.35Å
376A97.6Very high96.4Very high0 Ų037.8 Ų37.80%018%0.184CC..PPolyproline II helixtrans-66.8146.7169.900000110.7L340 I345 L371 E374 L378L340-A376 HydrophobicContact CB-CB 3.8Å; L340-A376 HydrophobicContact CD1-CB 4.17Å; I345-A376 HydrophobicContact CD1-CB 3.81Å; I345-A376 HydrophobicContact CG1-CB 4.41Å; L371-A376 HydrophobicContact CB-CB 4.16Å; L371-A376 WeakPolarHBondContact O-CB 3.42Å; L371-A376 PolarHBondContact O-N 3.36Å; L371-A376 VanDerWaalsContact O-N 3.14Å; E374-A376 PolarHBondContact O-N 3.34Å; A376-L378 HydrophobicContact CB-CD2 4.01Å
377E98.2Very high96.3Very high55 Ų5539 Ų3926%0.25719%0.185SC..EExtended strand (participates in β ladder)trans-90.6121.8166-177-169.9142.700108.1K343 R344 I345 F406 H408K343-E377 PolarHBondContact O-N 2.97Å; R344-E377 CarbonylContact C-O 3.43Å; R344-E377 VanDerWaalsContact CA-O 3.26Å; R344-E377 WeakPolarHBondContact CA-O 3.43Å; R344-E377 HydrophobicContact CB-CB 4.42Å; R344-E377 WeakPolarHBondContact CD-OE1 3.5Å; R344-E377 HydrophobicContact CG-CG 4.41Å; R344-E377 IonicContact CZ-OE1 3.88Å; R344-E377 IonicContact NE-OE1 2.94Å; R344-E377 IonicContact NH1-OE1 3.98Å; R344-E377 PolarHBondContact NH1-OE1 3.14Å; I345-E377 PolarHBondContact N-O 2.98Å; E377-F406 CarbonylContact C-O 3.32Å; E377-F406 WeakPolarHBondContact CA-O 3.1Å; E377-H408 IonicContact OE1-CD2 2.62Å; E377-H408 PolarHBondContact OE1-CD2 3Å; E377-H408 IonicContact OE1-NE2 2.77Å; E377-H408 PolarHBondContact OE1-NE2 3.46Å
378L98.6Very high96Very high0 Ų047.4 Ų47.40%022%0.221CC..EExtended strand (participates in β ladder)trans-102.3127-177.2-55.9-170.2000110.6I345 I347 C368 L371 L372 A376 I380 F406 V407 H408I345-L378 HydrophobicContact CB-CD2 4.1Å; I347-L378 HydrophobicContact CD1-CD2 4.45Å; C368-L378 HydrophobicContact CB-CD1 3.67Å; L371-L378 HydrophobicContact CB-CD2 3.91Å; L371-L378 HydrophobicContact CD1-CD2 3.99Å; L372-L378 HydrophobicContact CD1-CD1 4.14Å; L372-L378 HydrophobicContact CD2-CD1 4Å; L372-L378 HydrophobicContact CD2-CG 4.01Å; L372-L378 HydrophobicContact CG-CD1 3.7Å; L372-L378 HydrophobicContact CG-CG 4.22Å; A376-L378 HydrophobicContact CB-CD2 4.01Å; L378-I380 HydrophobicContact CB-CG1 4.29Å; L378-F406 PolarHBondContact N-O 3.33Å; L378-V407 HydrophobicContact CB-CG2 4.49Å; L378-V407 WeakPolarHBondContact O-CA 3.33Å; L378-H408 PolarHBondContact O-N 2.9Å
379A98.7Very high95.8Very high0 Ų051 Ų510%024%0.238CC..EExtended strand (participates in β ladder)trans-111.597.2172.900000109R344 I345 A346 I347 H408 A416R344-A379 HydrophobicContact CG-CB 4.22Å; R344-A379 VanDerWaalsContact CZ-CB 3.46Å; I345-A379 PolarHBondContact O-N 3.43Å; A346-A379 CarbonylContact C-O 3.51Å; A346-A379 WeakPolarHBondContact CA-O 3.27Å; I347-A379 PolarHBondContact N-O 3.17Å; A379-H408 CarbonylContact C-O 3.54Å; A379-H408 WeakPolarHBondContact CA-O 3.5Å; A379-A416 HydrophobicContact CB-CB 4.24Å; A379-A416 WeakPolarHBondContact CB-O 3.3Å
380I98.7Very high95.8Very high0 Ų050.6 Ų50.60%024%0.236CC..EExtended strand (participates in β ladder)trans-94.2122.6-170.1-53.9178.3000109.4I347 F350 L378 I390 L394 V407 H408 I409 C410I347-I380 HydrophobicContact CB-CB 4.44Å; I347-I380 HydrophobicContact CB-CG1 4.08Å; I347-I380 HydrophobicContact CB-CG2 4.44Å; I347-I380 HydrophobicContact CG1-CG1 4.13Å; F350-I380 HydrophobicContact CB-CG2 4.04Å; F350-I380 HydrophobicContact CD2-CD1 4.2Å; F350-I380 HydrophobicContact CD2-CG2 3.87Å; F350-I380 HydrophobicContact CE2-CD1 4.18Å; F350-I380 HydrophobicContact CG-CG2 4.26Å; L378-I380 HydrophobicContact CB-CG1 4.29Å; I380-I390 HydrophobicContact CD1-CG2 3.99Å; I380-I390 HydrophobicContact CG2-CD1 4.26Å; I380-I390 HydrophobicContact CG2-CG2 4.35Å; I380-L394 HydrophobicContact CD1-CD1 3.71Å; I380-V407 HydrophobicContact CD1-CG1 3.82Å; I380-V407 HydrophobicContact CG1-CG1 4.42Å; I380-H408 PolarHBondContact N-O 3.08Å; I380-I409 WeakPolarHBondContact O-CA 3.25Å; I380-C410 PolarHBondContact O-N 3.22Å
381Y98.6Very high95.7Very high26 Ų2653.2 Ų53.210%0.10225%0.248CC..EExtended strand (participates in β ladder)trans-124.5123.3172.2170.6-106.2000109.4I347 G349 P383 P413 F432 Y435I347-Y381 PolarHBondContact O-N 2.94Å; G349-Y381 PolarHBondContact N-O 2.61Å; Y381-P383 HydrophobicContact CE1-CG 4.26Å; Y381-P413 HydrophobicContact CD1-CB 3.91Å; Y381-P413 HydrophobicContact CE1-CB 3.84Å; Y381-P413 HydrophobicContact CE1-CG 4.2Å; Y381-P413 HydrophobicContact CG-CB 4.45Å; Y381-F432 HydrophobicContact CD1-CE1 4.22Å; Y381-F432 AromaticContact CE1-CE1 3.91Å; Y381-F432 HydrophobicContact CE1-CE1 3.91Å; Y381-Y435 HydrophobicContact CE1-CE2 4.29Å; Y381-Y435 PolarHBondContact OH-OH 2.93Å
382D98Very high95.5Very high14 Ų1456 Ų568%0.07527%0.268CS..  trans-132.1132.3169.5-172.4-72.1000108.8G349 F350 T351 K384 A385 W429G349-D382 WeakPolarHBondContact CA-OD2 3.42Å; F350-D382 HydrophobicContact CB-CB 4.1Å; F350-D382 PolarHBondContact N-OD2 2.85Å; T351-D382 PolarHBondContact N-OD2 3.2Å; T351-D382 PolarHBondContact OG1-OD2 3.14Å; D382-K384 PolarHBondContact O-N 3.34Å; D382-K384 VanDerWaalsContact O-N 3.16Å; D382-K384 PolarHBondContact OD1-N 2.82Å; D382-A385 HydrophobicContact CB-CB 3.73Å; D382-A385 PolarHBondContact OD1-N 3.25Å; D382-W429 PolarHBondContact OD2-NE1 3.11Å; D382-W429 VanDerWaalsContact OD2-NE1 3.16Å
383P94.8Very high95.5Very high40 Ų4056 Ų5626%0.2627%0.268SS..SBendtrans-58-24.8-180-27.635.6000115.6Y381 W429 F432Y381-P383 HydrophobicContact CE1-CG 4.26Å; P383-W429 HydrophobicContact CB-CD2 4.42Å; P383-W429 HydrophobicContact CG-CB 4.4Å; P383-W429 HydrophobicContact CG-CD2 4.02Å; P383-W429 HydrophobicContact CG-CG 3.93Å; P383-F432 HydrophobicContact CG-CE1 3.8Å; P383-F432 HydrophobicContact CG-CZ 4.24Å
384K91.8Very high95.6Very high101 Ų10149.3 Ų49.344%0.43924%0.237SC..SBendtrans-134.6-22.2-170.5-64.3-62.8178.9-178.30115.2D382 H386 W429D382-K384 PolarHBondContact O-N 3.34Å; D382-K384 VanDerWaalsContact O-N 3.16Å; D382-K384 PolarHBondContact OD1-N 2.82Å; K384-H386 PolarHBondContact O-N 2.78Å; K384-W429 HydrophobicContact CB-CH2 3.69Å; K384-W429 HydrophobicContact CB-CZ2 3.88Å; K384-W429 HydrophobicContact CG-CH2 3.35Å; K384-W429 HydrophobicContact CG-CZ2 3.99Å; K384-W429 HydrophobicContact CG-CZ3 3.92Å
385A92.3Very high95.5Very high7 Ų749.1 Ų49.16%0.05824%0.238CC..SBendtrans-63.5134.1178.600000111.5F350 T351 D382 I390F350-A385 HydrophobicContact CB-CB 4.45Å; T351-A385 HydrophobicContact CG2-CB 3.83Å; D382-A385 HydrophobicContact CB-CB 3.73Å; D382-A385 PolarHBondContact OD1-N 3.25Å; A385-I390 HydrophobicContact CB-CD1 3.96Å; A385-I390 HydrophobicContact CB-CG1 4.03Å
386H91.4Very high95.3Very high112 Ų11251.6 Ų51.652%0.51925%0.251SS..  trans-73.3133178.7-63.8-61000111.2K384 K388 Q389 I390K384-H386 PolarHBondContact O-N 2.78Å; H386-K388 VanDerWaalsContact C-N 3.28Å; H386-K388 PolarHBondContact O-N 3.31Å; H386-Q389 HydrophobicContact CB-CB 4.17Å; H386-Q389 WeakPolarHBondContact O-CA 3.47Å; H386-Q389 WeakPolarHBondContact O-CB 3.46Å; H386-Q389 PolarHBondContact O-N 3.25Å; H386-I390 PolarHBondContact O-N 3.26Å
387H94.7Very high95Very high79 Ų7957 Ų5737%0.36628%0.28SS..Hα-helixtrans-51.4-46.8179.3-74.3-142.8000112.2Q389 I390 E391 I409H387-Q389 VanDerWaalsContact C-N 3.25Å; H387-Q389 PolarHBondContact O-N 3.04Å; H387-I390 PolarHBondContact O-N 3Å; H387-E391 WeakPolarHBondContact O-CG 3.4Å; H387-E391 PolarHBondContact O-N 3.3Å; H387-I409 HydrophobicContact CB-CD1 4.3Å; H387-I409 HydrophobicContact CB-CG2 4.17Å; H387-I409 PolarHBondContact CE1-O 2.86Å; H387-I409 WeakPolarHBondContact O-CD1 3.2Å
388K93Very high94.7Very high176 Ų17655.7 Ų55.777%0.76528%0.275SS*.Hα-helixtrans-59.7-34.6177.8-68.4-175.8178.9178.90113.3H386 S392H386-K388 VanDerWaalsContact C-N 3.28Å; H386-K388 PolarHBondContact O-N 3.31Å; K388-S392 WeakPolarHBondContact O-CB 3.33Å; K388-S392 PolarHBondContact O-N 2.93Å
389Q93.6Very high94.3Very high76 Ų7660.6 Ų60.636%0.35530%0.301SS..Hα-helixtrans-72.7-43.8179.2-171.962.149.200110.6S359 H386 H387 E391 S392 D393S359-Q389 VanDerWaalsContact OG-CG 3.29Å; S359-Q389 WeakPolarHBondContact OG-CG 3.29Å; H386-Q389 HydrophobicContact CB-CB 4.17Å; H386-Q389 WeakPolarHBondContact O-CA 3.47Å; H386-Q389 WeakPolarHBondContact O-CB 3.46Å; H386-Q389 PolarHBondContact O-N 3.25Å; H387-Q389 VanDerWaalsContact C-N 3.25Å; H387-Q389 PolarHBondContact O-N 3.04Å; Q389-E391 VanDerWaalsContact C-N 3.32Å; Q389-E391 PolarHBondContact O-N 3.31Å; Q389-S392 PolarHBondContact O-N 2.81Å; Q389-S392 VanDerWaalsContact O-N 3.17Å; Q389-D393 PolarHBondContact NE2-OD1 2.98Å; Q389-D393 PolarHBondContact NE2-OD2 3.48Å; Q389-D393 WeakPolarHBondContact O-CB 3.41Å; Q389-D393 VanDerWaalsContact O-CG 3.25Å; Q389-D393 PolarHBondContact O-N 3.33Å
390I96Very high93.8Very high1 Ų168 Ų681%0.00533%0.333CS..Hα-helixtrans-56.1-48174.6-59.7174000110.4F350 I380 A385 H386 H387 D393 L394 I409F350-I390 HydrophobicContact CB-CD1 4.32Å; F350-I390 HydrophobicContact CB-CG1 4.37Å; F350-I390 HydrophobicContact CD1-CB 4.19Å; F350-I390 HydrophobicContact CD1-CD1 4.43Å; F350-I390 HydrophobicContact CD1-CG1 3.59Å; F350-I390 HydrophobicContact CD1-CG2 4.2Å; F350-I390 HydrophobicContact CD2-CG2 4.08Å; F350-I390 HydrophobicContact CE1-CB 4.08Å; F350-I390 HydrophobicContact CE1-CG1 3.97Å; F350-I390 HydrophobicContact CE1-CG2 4.02Å; F350-I390 HydrophobicContact CE2-CG2 3.91Å; F350-I390 HydrophobicContact CG-CD1 4.35Å; F350-I390 HydrophobicContact CG-CG1 3.95Å; F350-I390 HydrophobicContact CG-CG2 4.21Å; F350-I390 HydrophobicContact CZ-CB 4.4Å; F350-I390 HydrophobicContact CZ-CG2 3.86Å; I380-I390 HydrophobicContact CD1-CG2 3.99Å; I380-I390 HydrophobicContact CG2-CD1 4.26Å; I380-I390 HydrophobicContact CG2-CG2 4.35Å; A385-I390 HydrophobicContact CB-CD1 3.96Å; A385-I390 HydrophobicContact CB-CG1 4.03Å; H386-I390 PolarHBondContact O-N 3.26Å; H387-I390 PolarHBondContact O-N 3Å; I390-D393 PolarHBondContact O-N 3.11Å; I390-L394 HydrophobicContact CG2-CD1 4.18Å; I390-L394 WeakPolarHBondContact O-CG 3.35Å; I390-L394 PolarHBondContact O-N 2.9Å; I390-L394 VanDerWaalsContact O-N 3.14Å; I390-I409 HydrophobicContact CB-CD1 3.84Å; I390-I409 HydrophobicContact CD1-CG2 3.78Å; I390-I409 HydrophobicContact CG2-CD1 3.8Å; I390-I409 HydrophobicContact CG2-CG1 4.05Å
391E94.9Very high93.3Very high106 Ų10673.9 Ų73.950%0.49537%0.365SS..Hα-helixtrans-58.6-50.4175.6-67.6178.7170.200111.1H387 Q389 D393 L394 L395 I409H387-E391 WeakPolarHBondContact O-CG 3.4Å; H387-E391 PolarHBondContact O-N 3.3Å; Q389-E391 VanDerWaalsContact C-N 3.32Å; Q389-E391 PolarHBondContact O-N 3.31Å; E391-D393 VanDerWaalsContact C-N 3.32Å; E391-D393 PolarHBondContact O-N 2.92Å; E391-L394 PolarHBondContact O-N 3.07Å; E391-L395 HydrophobicContact CB-CD1 4.36Å; E391-L395 WeakPolarHBondContact O-CB 3.48Å; E391-L395 WeakPolarHBondContact O-CD1 3.31Å; E391-L395 PolarHBondContact O-N 3.16Å; E391-I409 HydrophobicContact CG-CD1 3.43Å; E391-I409 VanDerWaalsContact CG-CD1 3.43Å
392S94.7Very high92.8Very high59 Ų5974.1 Ų74.141%0.41337%0.37SS..Hα-helixtrans-58.2-42.1-179.1-176.60000112.7K388 Q389 L395K388-S392 WeakPolarHBondContact O-CB 3.33Å; K388-S392 PolarHBondContact O-N 2.93Å; Q389-S392 PolarHBondContact O-N 2.81Å; Q389-S392 VanDerWaalsContact O-N 3.17Å; S392-L395 PolarHBondContact O-N 2.77Å
393D95.6Very high92.4Very high11 Ų1174 Ų746%0.05937%0.37CS..Hα-helixtrans-69.3-39.6-177.9-69.5-21.1000111.8F350 S359 I365 Q389 I390 E391F350-D393 HydrophobicContact CE1-CB 4.13Å; F350-D393 HydrophobicContact CZ-CB 4.21Å; S359-D393 VanDerWaalsContact CB-OD2 3.28Å; S359-D393 WeakPolarHBondContact CB-OD2 3.42Å; S359-D393 PolarHBondContact OG-OD2 3.3Å; I365-D393 HydrophobicContact CD1-CB 3.84Å; I365-D393 HydrophobicContact CG1-CB 4.25Å; Q389-D393 PolarHBondContact NE2-OD1 2.98Å; Q389-D393 PolarHBondContact NE2-OD2 3.48Å; Q389-D393 WeakPolarHBondContact O-CB 3.41Å; Q389-D393 VanDerWaalsContact O-CG 3.25Å; Q389-D393 PolarHBondContact O-N 3.33Å; I390-D393 PolarHBondContact O-N 3.11Å; E391-D393 VanDerWaalsContact C-N 3.32Å; E391-D393 PolarHBondContact O-N 2.92Å
394L96.1Very high92.2Very high1 Ų176.3 Ų76.31%0.00539%0.387CS..Hα-helixtrans-74.4-31.5176.5-65.6176.5000112.3F350 C368 I380 I390 E391 M396 N397 N398 L403 V407F350-L394 HydrophobicContact CE2-CD1 4.24Å; F350-L394 HydrophobicContact CE2-CD2 4.12Å; F350-L394 HydrophobicContact CE2-CG 4.17Å; F350-L394 HydrophobicContact CZ-CD1 4.44Å; F350-L394 HydrophobicContact CZ-CD2 4.15Å; F350-L394 HydrophobicContact CZ-CG 3.99Å; C368-L394 HydrophobicContact CB-CD2 3.74Å; I380-L394 HydrophobicContact CD1-CD1 3.71Å; I390-L394 HydrophobicContact CG2-CD1 4.18Å; I390-L394 WeakPolarHBondContact O-CG 3.35Å; I390-L394 PolarHBondContact O-N 2.9Å; I390-L394 VanDerWaalsContact O-N 3.14Å; E391-L394 PolarHBondContact O-N 3.07Å; L394-M396 PolarHBondContact O-N 2.7Å; L394-N397 PolarHBondContact O-N 2.97Å; L394-N398 PolarHBondContact O-N 2.79Å; L394-N398 PolarHBondContact O-ND2 2.91Å; L394-L403 HydrophobicContact CB-CD1 4.11Å; L394-L403 HydrophobicContact CB-CD2 3.86Å; L394-V407 HydrophobicContact CD1-CG1 4.02Å; L394-V407 HydrophobicContact CD1-CG2 4.29Å
395L94.8Very high92.2Very high81 Ų8177.7 Ų77.742%0.42440%0.395SS..Hα-helixtrans-61.4-21.4176.4-105.992.4000113.2E391 S392 N397 L403E391-L395 HydrophobicContact CB-CD1 4.36Å; E391-L395 WeakPolarHBondContact O-CB 3.48Å; E391-L395 WeakPolarHBondContact O-CD1 3.31Å; E391-L395 PolarHBondContact O-N 3.16Å; S392-L395 PolarHBondContact O-N 2.77Å; L395-N397 PolarHBondContact O-N 3.42Å; L395-L403 HydrophobicContact CB-CD1 4.13Å; L395-L403 HydrophobicContact CD1-CD1 3.39Å; L395-L403 HydrophobicContact CG-CD1 3.68Å
396M89.7Confident92.4Very high139 Ų13979.3 Ų79.369%0.68540%0.401SS*.THydrogen-bonded Turntrans-62.8-31.4-180-64.5-164.5-174.800113.1L394L394-M396 PolarHBondContact O-N 2.7Å
397N91.3Very high92.7Very high113 Ų11375 Ų7560%0.60438%0.382SS*.THydrogen-bonded Turntrans-118.5-1.9-175.3-68.1-28.5000113.7N369 L394 L395N369-N397 PolarHBondContact ND2-ND2 3.3Å; L394-N397 PolarHBondContact O-N 2.97Å; L395-N397 PolarHBondContact O-N 3.42Å
398N91.3Very high92.8Very high28 Ų2874.3 Ų74.315%0.1538%0.379CS..SBendtrans-132.6153.7-176.9-55.7-80.8000110.5N369 L394 L403N369-N398 PolarHBondContact OD1-ND2 3.37Å; L394-N398 PolarHBondContact O-N 2.79Å; L394-N398 PolarHBondContact O-ND2 2.91Å; N398-L403 HydrophobicContact CB-CD1 3.92Å; N398-L403 HydrophobicContact CB-CD2 3.73Å; N398-L403 HydrophobicContact CB-CG 3.65Å
399N89.8Confident93.1Very high102 Ų10267.2 Ų67.255%0.54535%0.349SS..  trans-79.3153.9173.370.149.1000111.1D401 S402 L403N399-D401 VanDerWaalsContact C-N 3.32Å; N399-D401 PolarHBondContact O-N 2.9Å; N399-D401 PolarHBondContact OD1-N 2.79Å; N399-S402 PolarHBondContact O-N 3.3Å; N399-S402 WeakPolarHBondContact OD1-CA 3.47Å; N399-S402 WeakPolarHBondContact OD1-CB 3.26Å; N399-S402 PolarHBondContact OD1-N 2.84Å; N399-L403 WeakPolarHBondContact O-CG 3.37Å; N399-L403 PolarHBondContact O-N 2.78Å; N399-L403 VanDerWaalsContact O-N 3.1Å
400K89.6Confident93.3Very high156 Ų15663.7 Ų63.768%0.67833%0.333SS*.Hα-helixtrans-60.3-40.1-175.2-172.1178.4179.5-178.90112.9L403 S404K400-L403 PolarHBondContact O-N 2.8Å; K400-S404 WeakPolarHBondContact O-CB 3.45Å; K400-S404 PolarHBondContact O-N 3.24Å; K400-S404 PolarHBondContact O-OG 2.83Å
401D88.4Confident93.4Very high124 Ų12467.8 Ų67.866%0.66336%0.361SS*.Hα-helixtrans-66.8-46.3-176.6-60.7-28.9000111N399 L403 S404 Q405N399-D401 VanDerWaalsContact C-N 3.32Å; N399-D401 PolarHBondContact O-N 2.9Å; N399-D401 PolarHBondContact OD1-N 2.79Å; D401-L403 PolarHBondContact O-N 2.96Å; D401-S404 PolarHBondContact O-N 2.82Å; D401-S404 PolarHBondContact O-OG 3.42Å; D401-Q405 WeakPolarHBondContact O-CB 3.24Å; D401-Q405 PolarHBondContact O-N 2.81Å; D401-Q405 VanDerWaalsContact O-N 3.07Å
402S86.7Confident93.5Very high30 Ų3065.6 Ų65.621%0.2136%0.356CS..Hα-helixtrans-59.7-45.2174.9178.80000111.3N399 S404 Q405 F406N399-S402 PolarHBondContact O-N 3.3Å; N399-S402 WeakPolarHBondContact OD1-CA 3.47Å; N399-S402 WeakPolarHBondContact OD1-CB 3.26Å; N399-S402 PolarHBondContact OD1-N 2.84Å; S402-S404 PolarHBondContact O-N 2.78Å; S402-Q405 PolarHBondContact O-N 2.85Å; S402-F406 WeakPolarHBondContact O-CB 3.42Å; S402-F406 VanDerWaalsContact O-CD2 3.24Å; S402-F406 WeakPolarHBondContact O-CD2 3.45Å; S402-F406 PolarHBondContact O-N 3.21Å
403L90.4Very high93.7Very high12 Ų1263.3 Ų63.36%0.06334%0.339CS..Hα-helixtrans-62.5-44.6176.9-71.5176.9000112.2L372 L394 L395 N398 N399 K400 D401 Q405 F406 V407L372-L403 HydrophobicContact CD1-CD2 3.79Å; L394-L403 HydrophobicContact CB-CD1 4.11Å; L394-L403 HydrophobicContact CB-CD2 3.86Å; L395-L403 HydrophobicContact CB-CD1 4.13Å; L395-L403 HydrophobicContact CD1-CD1 3.39Å; L395-L403 HydrophobicContact CG-CD1 3.68Å; N398-L403 HydrophobicContact CB-CD1 3.92Å; N398-L403 HydrophobicContact CB-CD2 3.73Å; N398-L403 HydrophobicContact CB-CG 3.65Å; N399-L403 WeakPolarHBondContact O-CG 3.37Å; N399-L403 PolarHBondContact O-N 2.78Å; N399-L403 VanDerWaalsContact O-N 3.1Å; K400-L403 PolarHBondContact O-N 2.8Å; D401-L403 PolarHBondContact O-N 2.96Å; L403-Q405 PolarHBondContact O-N 2.79Å; L403-F406 PolarHBondContact O-N 3.44Å; L403-V407 HydrophobicContact CD2-CG2 3.66Å; L403-V407 WeakPolarHBondContact O-CA 3.34Å; L403-V407 WeakPolarHBondContact O-CB 3.29Å; L403-V407 PolarHBondContact O-N 2.79Å
404S91.1Very high93.8Very high89 Ų8965.6 Ų65.662%0.62235%0.349SS*.Hα-helixtrans-62.9-26.5178.670.80000113.5K400 D401 S402K400-S404 WeakPolarHBondContact O-CB 3.45Å; K400-S404 PolarHBondContact O-N 3.24Å; K400-S404 PolarHBondContact O-OG 2.83Å; D401-S404 PolarHBondContact O-N 2.82Å; D401-S404 PolarHBondContact O-OG 3.42Å; S402-S404 PolarHBondContact O-N 2.78Å
405Q91.7Very high93.9Very high129 Ų12969.5 Ų69.560%0.60337%0.368SS*.Hα-helixtrans-85-37.9178.9-179.1177.4-11.600112.9D401 S402 L403D401-Q405 WeakPolarHBondContact O-CB 3.24Å; D401-Q405 PolarHBondContact O-N 2.81Å; D401-Q405 VanDerWaalsContact O-N 3.07Å; S402-Q405 PolarHBondContact O-N 2.85Å; L403-Q405 PolarHBondContact O-N 2.79Å
406F95.8Very high94.1Very high42 Ų4265.6 Ų65.618%0.18435%0.347CS..Hα-helixtrans-112.8-7.5-168.1-66.3-71.7000114.5L372 E377 L378 S402 L403L372-F406 HydrophobicContact CD2-CB 3.64Å; E377-F406 CarbonylContact C-O 3.32Å; E377-F406 WeakPolarHBondContact CA-O 3.1Å; L378-F406 PolarHBondContact N-O 3.33Å; S402-F406 WeakPolarHBondContact O-CB 3.42Å; S402-F406 VanDerWaalsContact O-CD2 3.24Å; S402-F406 WeakPolarHBondContact O-CD2 3.45Å; S402-F406 PolarHBondContact O-N 3.21Å; L403-F406 PolarHBondContact O-N 3.44Å
407V97.7Very high94.6Very high21 Ų2159 Ų5913%0.12732%0.315CS..EExtended strand (participates in β ladder)trans-118.5123.6-179.2-178.70000110.5L372 L378 I380 L394 L403 I409L372-V407 HydrophobicContact CD1-CG2 3.95Å; L372-V407 HydrophobicContact CD2-CG2 3.75Å; L372-V407 HydrophobicContact CG-CG2 4.44Å; L378-V407 HydrophobicContact CB-CG2 4.49Å; L378-V407 WeakPolarHBondContact O-CA 3.33Å; I380-V407 HydrophobicContact CD1-CG1 3.82Å; I380-V407 HydrophobicContact CG1-CG1 4.42Å; L394-V407 HydrophobicContact CD1-CG1 4.02Å; L394-V407 HydrophobicContact CD1-CG2 4.29Å; L403-V407 HydrophobicContact CD2-CG2 3.66Å; L403-V407 WeakPolarHBondContact O-CA 3.34Å; L403-V407 WeakPolarHBondContact O-CB 3.29Å; L403-V407 PolarHBondContact O-N 2.79Å; V407-I409 HydrophobicContact CG1-CG1 4.33Å
408H97.7Very high94.9Very high65 Ų6556.1 Ų56.130%0.30130%0.301SS..EExtended strand (participates in β ladder)trans-118.2114.9175.2-55.4-75.8000108.8R344 E377 L378 A379 I380R344-H408 PolarHBondContact NH1-CD2 3.07Å; R344-H408 VanDerWaalsContact NH1-CD2 3.29Å; E377-H408 IonicContact OE1-CD2 2.62Å; E377-H408 PolarHBondContact OE1-CD2 3Å; E377-H408 IonicContact OE1-NE2 2.77Å; E377-H408 PolarHBondContact OE1-NE2 3.46Å; L378-H408 PolarHBondContact O-N 2.9Å; A379-H408 CarbonylContact C-O 3.54Å; A379-H408 WeakPolarHBondContact CA-O 3.5Å; I380-H408 PolarHBondContact N-O 3.08Å
409I97.9Very high95.2Very high26 Ų2659.8 Ų59.813%0.13332%0.321CS..EExtended strand (participates in β ladder)trans-91.6110.7175.6-52.4170000107.9I380 H387 I390 E391 V407I380-I409 WeakPolarHBondContact O-CA 3.25Å; H387-I409 HydrophobicContact CB-CD1 4.3Å; H387-I409 HydrophobicContact CB-CG2 4.17Å; H387-I409 PolarHBondContact CE1-O 2.86Å; H387-I409 WeakPolarHBondContact O-CD1 3.2Å; I390-I409 HydrophobicContact CB-CD1 3.84Å; I390-I409 HydrophobicContact CD1-CG2 3.78Å; I390-I409 HydrophobicContact CG2-CD1 3.8Å; I390-I409 HydrophobicContact CG2-CG1 4.05Å; E391-I409 HydrophobicContact CG-CD1 3.43Å; E391-I409 VanDerWaalsContact CG-CD1 3.43Å; V407-I409 HydrophobicContact CG1-CG1 4.33Å
410C98.1Very high95.7Very high2 Ų255 Ų551%0.01430%0.295CS..  trans-92.9143.1-170.3-64.90000111.4I380 E415 A416I380-C410 PolarHBondContact O-N 3.22Å; C410-E415 WeakPolarHBondContact CA-OE2 3.48Å; C410-E415 HydrophobicContact CB-CB 4.02Å; C410-E415 HydrophobicContact CB-CG 4.01Å; C410-A416 HydrophobicContact CB-CB 4.05Å
411S97.4Very high96.1Very high87 Ų8751 Ų5161%0.60828%0.277SS*.SBendtrans-87.4-18178.1-57.60000112.7E415S411-E415 PolarHBondContact N-OE2 2.9Å
412T98.1Very high96.6Very high61 Ų6145.1 Ų45.137%0.37425%0.245SC..SBendtrans-133.4151.7-179.763.80000110.8E414 E415 A416T412-E414 VanDerWaalsContact C-N 3.26Å; T412-E414 PolarHBondContact O-N 3.44Å; T412-E415 PolarHBondContact O-N 2.99Å; T412-E415 WeakPolarHBondContact OG1-CB 3.49Å; T412-E415 PolarHBondContact OG1-N 3.46Å; T412-A416 PolarHBondContact O-N 3.35Å
413P98.3Very high97.2Very high11 Ų1143.7 Ų43.77%0.07124%0.235CC..Hα-helixtrans-65.2-31.7176.326.6-32.4000111.8F348 Y381 E415 A416 V417 Y435 F440F348-P413 HydrophobicContact CE1-CB 4.49Å; F348-P413 HydrophobicContact CE2-CB 4.29Å; F348-P413 HydrophobicContact CZ-CB 3.82Å; Y381-P413 HydrophobicContact CD1-CB 3.91Å; Y381-P413 HydrophobicContact CE1-CB 3.84Å; Y381-P413 HydrophobicContact CE1-CG 4.2Å; Y381-P413 HydrophobicContact CG-CB 4.45Å; P413-E415 PolarHBondContact O-N 3.27Å; P413-A416 PolarHBondContact O-N 2.93Å; P413-V417 WeakPolarHBondContact O-CG1 3.26Å; P413-V417 PolarHBondContact O-N 2.93Å; P413-Y435 HydrophobicContact CB-CD2 4.4Å; P413-Y435 HydrophobicContact CB-CE2 3.96Å; P413-Y435 HydrophobicContact CG-CE1 4.3Å; P413-Y435 HydrophobicContact CG-CE2 4.07Å; P413-F440 HydrophobicContact CB-CE1 4.37Å; P413-F440 HydrophobicContact CB-CE2 4.43Å; P413-F440 HydrophobicContact CB-CZ 3.71Å; P413-F440 HydrophobicContact CG-CZ 4.02Å
414E98.5Very high97.6Very high58 Ų5843.1 Ų43.127%0.27123%0.232SC..Hα-helixtrans-60.5-42.1175.6-7284.2170.900113.2T412 A416 V417 T418 K439 F440 L443T412-E414 VanDerWaalsContact C-N 3.26Å; T412-E414 PolarHBondContact O-N 3.44Å; E414-A416 VanDerWaalsContact C-N 3.28Å; E414-A416 PolarHBondContact O-N 2.87Å; E414-V417 WeakPolarHBondContact O-CG2 3.3Å; E414-V417 PolarHBondContact O-N 3.36Å; E414-T418 WeakPolarHBondContact O-CB 3.24Å; E414-T418 PolarHBondContact O-N 2.95Å; E414-T418 PolarHBondContact O-OG1 3Å; E414-K439 IonicContact OE1-NZ 2.94Å; E414-K439 PolarHBondContact OE1-NZ 3.24Å; E414-F440 HydrophobicContact CG-CE1 4.13Å; E414-L443 HydrophobicContact CB-CD1 4.3Å; E414-L443 HydrophobicContact CG-CD1 4.24Å
415E98.4Very high97.9Very high83 Ų8338.9 Ų38.939%0.38820%0.202SC..Hα-helixtrans-63.2-37.7176.6-173.8-165165.700111.2R344 C410 S411 T412 P413R344-E415 PolarHBondContact NH2-O 3.24Å; C410-E415 WeakPolarHBondContact CA-OE2 3.48Å; C410-E415 HydrophobicContact CB-CB 4.02Å; C410-E415 HydrophobicContact CB-CG 4.01Å; S411-E415 PolarHBondContact N-OE2 2.9Å; T412-E415 PolarHBondContact O-N 2.99Å; T412-E415 WeakPolarHBondContact OG1-CB 3.49Å; T412-E415 PolarHBondContact OG1-N 3.46Å; P413-E415 PolarHBondContact O-N 3.27Å
416A98.6Very high98.3Very high0 Ų032.8 Ų32.80%017%0.174CC..Hα-helixtrans-67.3-44.4177.700000112.1A346 F348 A379 C410 T412 P413 E414A346-A416 HydrophobicContact CB-CB 4.23Å; A346-A416 WeakPolarHBondContact CB-O 3.44Å; F348-A416 HydrophobicContact CE1-CB 4.04Å; A379-A416 HydrophobicContact CB-CB 4.24Å; A379-A416 WeakPolarHBondContact CB-O 3.3Å; C410-A416 HydrophobicContact CB-CB 4.05Å; T412-A416 PolarHBondContact O-N 3.35Å; P413-A416 PolarHBondContact O-N 2.93Å; E414-A416 VanDerWaalsContact C-N 3.28Å; E414-A416 PolarHBondContact O-N 2.87Å
417V98.7Very high98.3Very high0 Ų030.8 Ų30.80%017%0.165CC..Hα-helixtrans-82.1-17.5-175-55.30000114.5A346 F348 P413 E414 N419 A420 I423 F440 L443 M444A346-V417 HydrophobicContact CB-CG1 4.19Å; F348-V417 HydrophobicContact CE1-CG1 3.66Å; F348-V417 HydrophobicContact CZ-CG1 3.47Å; F348-V417 VanDerWaalsContact CZ-CG1 3.47Å; P413-V417 WeakPolarHBondContact O-CG1 3.26Å; P413-V417 PolarHBondContact O-N 2.93Å; E414-V417 WeakPolarHBondContact O-CG2 3.3Å; E414-V417 PolarHBondContact O-N 3.36Å; V417-N419 PolarHBondContact O-N 3.35Å; V417-A420 VanDerWaalsContact O-CB 3.31Å; V417-A420 WeakPolarHBondContact O-CB 3.4Å; V417-A420 PolarHBondContact O-N 3.49Å; V417-I423 HydrophobicContact CB-CD1 4.49Å; V417-I423 HydrophobicContact CG1-CD1 3.64Å; V417-I423 HydrophobicContact CG1-CG1 3.88Å; V417-F440 HydrophobicContact CB-CB 4.48Å; V417-F440 HydrophobicContact CB-CG 4.5Å; V417-F440 HydrophobicContact CG1-CB 4.47Å; V417-F440 HydrophobicContact CG1-CD2 4.2Å; V417-F440 HydrophobicContact CG1-CG 4.18Å; V417-F440 HydrophobicContact CG2-CB 4.08Å; V417-F440 HydrophobicContact CG2-CD1 3.69Å; V417-F440 HydrophobicContact CG2-CE1 4.31Å; V417-F440 HydrophobicContact CG2-CG 3.93Å; V417-L443 HydrophobicContact CG2-CB 4.28Å; V417-L443 HydrophobicContact CG2-CD1 4.16Å; V417-M444 HydrophobicContact CB-CG 4.04Å; V417-M444 HydrophobicContact CB-SD 4.39Å; V417-M444 WeakPolarHBondContact O-CG 3.38Å
418T98.7Very high98.2Very high52 Ų5232.7 Ų32.732%0.31918%0.175SC..THydrogen-bonded Turntrans-59.2122.8-179.2-65.60000110.5R344 E414 A420R344-T418 WeakPolarHBondContact CD-O 3.38Å; R344-T418 PolarHBondContact NE-O 3.44Å; E414-T418 WeakPolarHBondContact O-CB 3.24Å; E414-T418 PolarHBondContact O-N 2.95Å; E414-T418 PolarHBondContact O-OG1 3Å; T418-A420 PolarHBondContact O-N 2.8Å; T418-A420 VanDerWaalsContact O-N 3.11Å
419N98.4Very high98.2Very high106 Ų10630.1 Ų30.157%0.56716%0.162SC*.THydrogen-bonded Turntrans59.87.5-173.5-56.7-43.4000115.7V417 L443 T445V417-N419 PolarHBondContact O-N 3.35Å; N419-L443 PolarHBondContact N-O 3.11Å; N419-T445 PolarHBondContact O-OG1 2.88Å
420A98.8Very high98.1Very high0 Ų036.3 Ų36.30%019%0.188CC..  trans-68.514517700000111.3R344 A346 V417 T418 M444 T445R344-A420 HydrophobicContact CG-CB 4.4Å; R344-A420 CarbonylContact O-C 3.53Å; R344-A420 VanDerWaalsContact O-CA 3.3Å; R344-A420 WeakPolarHBondContact O-CA 3.37Å; A346-A420 HydrophobicContact CB-CB 4.06Å; V417-A420 VanDerWaalsContact O-CB 3.31Å; V417-A420 WeakPolarHBondContact O-CB 3.4Å; V417-A420 PolarHBondContact O-N 3.49Å; T418-A420 PolarHBondContact O-N 2.8Å; T418-A420 VanDerWaalsContact O-N 3.11Å; A420-M444 HydrophobicContact CB-CE 4.29Å; A420-M444 HydrophobicContact CB-CG 4.43Å; A420-M444 VanDerWaalsContact O-CB 3.3Å; A420-M444 WeakPolarHBondContact O-CB 3.43Å; A420-M444 WeakPolarHBondContact O-CE 3.5Å; A420-T445 PolarHBondContact O-N 3.18Å
421Y98.6Very high98Very high74 Ų7438.1 Ų38.129%0.2920%0.201SC..SBendtrans-87.3-27.7174.2-74-101.1000111.9K343 R344 T445 R449K343-Y421 HydrophobicContact CB-CD2 3.76Å; K343-Y421 HydrophobicContact CB-CE2 4.16Å; K343-Y421 HydrophobicContact CB-CG 4.11Å; K343-Y421 HydrophobicContact CD-CD1 4.3Å; K343-Y421 HydrophobicContact CD-CG 4.29Å; K343-Y421 HydrophobicContact CG-CD1 4.31Å; K343-Y421 HydrophobicContact CG-CD2 3.97Å; K343-Y421 HydrophobicContact CG-CE1 4.38Å; K343-Y421 HydrophobicContact CG-CE2 4.06Å; K343-Y421 HydrophobicContact CG-CG 4.1Å; R344-Y421 PolarHBondContact O-N 2.95Å; Y421-T445 HydrophobicContact CD1-CG2 3.92Å; Y421-T445 HydrophobicContact CD2-CG2 4.46Å; Y421-T445 HydrophobicContact CE1-CG2 3.42Å; Y421-T445 VanDerWaalsContact CE1-CG2 3.42Å; Y421-T445 HydrophobicContact CE2-CG2 4.03Å; Y421-T445 HydrophobicContact CG-CG2 4.42Å; Y421-T445 VanDerWaalsContact CZ-CG2 3.49Å; Y421-R449 PolarHBondContact O-N 3.01Å
422A98.8Very high98.1Very high0 Ų034 Ų340%017%0.172CC..EExtended strand (participates in β ladder)trans-144.8149.5-179.400000111.8L336 A346 L424 R449 F451L336-A422 HydrophobicContact CD1-CB 4.15Å; L336-A422 HydrophobicContact CD2-CB 4.48Å; A346-A422 PolarHBondContact N-O 3.44Å; A422-L424 HydrophobicContact CB-CD1 3.9Å; A422-R449 CarbonylContact C-O 3.57Å; A422-R449 WeakPolarHBondContact CA-O 3.28Å; A422-R449 HydrophobicContact CB-CB 4.17Å; A422-F451 HydrophobicContact CB-CD2 4.02Å; A422-F451 HydrophobicContact CB-CE2 3.83Å
423I98.9Very high98.1Very high0 Ų035.7 Ų35.70%018%0.175CC..EExtended strand (participates in β ladder)trans-108.3131163.5-54.7171.4000108A346 F348 V417 I425 Y437 F440 M444 R449 I450 F451A346-I423 HydrophobicContact CB-CG1 4.23Å; A346-I423 CarbonylContact O-C 3.56Å; A346-I423 WeakPolarHBondContact O-CA 3.34Å; F348-I423 HydrophobicContact CB-CG2 4.35Å; F348-I423 HydrophobicContact CD1-CG2 3.8Å; F348-I423 HydrophobicContact CD2-CG2 3.88Å; F348-I423 HydrophobicContact CE1-CG2 4.01Å; F348-I423 HydrophobicContact CE2-CG2 4.08Å; F348-I423 HydrophobicContact CG-CG2 3.74Å; F348-I423 HydrophobicContact CZ-CG2 4.15Å; V417-I423 HydrophobicContact CB-CD1 4.49Å; V417-I423 HydrophobicContact CG1-CD1 3.64Å; V417-I423 HydrophobicContact CG1-CG1 3.88Å; I423-I425 HydrophobicContact CG2-CD1 3.87Å; I423-Y437 HydrophobicContact CD1-CE1 4.41Å; I423-F440 HydrophobicContact CD1-CB 4.4Å; I423-F440 HydrophobicContact CD1-CD2 4.19Å; I423-M444 HydrophobicContact CD1-CE 4.33Å; I423-M444 HydrophobicContact CD1-SD 3.6Å; I423-M444 VanDerWaalsContact CD1-SD 3.6Å; I423-M444 HydrophobicContact CG1-CE 3.76Å; I423-M444 HydrophobicContact CG1-SD 3.67Å; I423-R449 PolarHBondContact N-O 3.38Å; I423-I450 HydrophobicContact CB-CG1 4.22Å; I423-I450 HydrophobicContact CD1-CG1 4.37Å; I423-I450 CarbonylContact O-C 3.58Å; I423-I450 WeakPolarHBondContact O-CA 3.3Å; I423-F451 PolarHBondContact O-N 3.41Å
424L98.9Very high98Very high0 Ų040.9 Ų40.90%020%0.202CC..EExtended strand (participates in β ladder)trans-111114.7175.5-75.659.7000108.1F328 V332 I345 A346 I347 F348 L367 L371 A422 C426 F451F328-L424 HydrophobicContact CE1-CD2 4.32Å; F328-L424 HydrophobicContact CE1-CG 4.38Å; V332-L424 HydrophobicContact CG1-CD2 4.32Å; V332-L424 HydrophobicContact CG2-CD2 4.05Å; V332-L424 HydrophobicContact CG2-CG 4.28Å; I345-L424 HydrophobicContact CG2-CD1 3.26Å; I345-L424 HydrophobicContact CG2-CD2 4.03Å; I345-L424 HydrophobicContact CG2-CG 4.24Å; A346-L424 PolarHBondContact O-N 3.24Å; I347-L424 HydrophobicContact CD1-CB 4.15Å; I347-L424 HydrophobicContact CD1-CD2 3.71Å; I347-L424 HydrophobicContact CD1-CG 4.39Å; F348-L424 WeakPolarHBondContact CB-O 3.3Å; F348-L424 PolarHBondContact N-O 3.4Å; L367-L424 HydrophobicContact CD1-CD2 4.36Å; L367-L424 HydrophobicContact CD2-CD2 4.02Å; L371-L424 HydrophobicContact CD1-CD2 3.88Å; A422-L424 HydrophobicContact CB-CD1 3.9Å; L424-C426 PolarHBondContact O-N 2.76Å; L424-F451 WeakPolarHBondContact CA-O 3.32Å; L424-F451 HydrophobicContact CD1-CD2 4.03Å; L424-F451 HydrophobicContact CG-CB 4.23Å; L424-F451 HydrophobicContact CG-CD2 4.48Å
425I98.7Very high98Very high0 Ų040.6 Ų40.60%020%0.199CC..EExtended strand (participates in β ladder)trans-84.9102.1174.7-50.7-60.4000108.2F348 I423 F432 I450 F451 G453 R454 I456 L457F348-I425 HydrophobicContact CB-CD1 3.98Å; F348-I425 HydrophobicContact CD2-CD1 3.89Å; F348-I425 HydrophobicContact CG-CD1 4.26Å; I423-I425 HydrophobicContact CG2-CD1 3.87Å; I425-F432 HydrophobicContact CG2-CD2 4.21Å; I425-I450 HydrophobicContact CG1-CG2 4.46Å; I425-F451 PolarHBondContact N-O 3.07Å; I425-G453 CarbonylContact O-C 3.51Å; I425-G453 WeakPolarHBondContact O-CA 3.43Å; I425-G453 PolarHBondContact O-N 3.5Å; I425-R454 HydrophobicContact CG2-CB 4.33Å; I425-R454 HydrophobicContact CG2-CG 4.33Å; I425-I456 HydrophobicContact CG2-CD1 3.71Å; I425-I456 HydrophobicContact CG2-CG1 3.96Å; I425-L457 HydrophobicContact CD1-CD1 3.9Å; I425-L457 HydrophobicContact CG1-CD1 3.61Å; I425-L457 HydrophobicContact CG1-CG 4.21Å
426C98.5Very high98Very high0 Ų040.7 Ų40.70%020%0.202CC..  trans-101.2-25-171.4-71.60000112.9L284 F348 G349 V364 L424 R454L284-C426 HydrophobicContact CD2-CB 4.38Å; F348-C426 WeakPolarHBondContact O-CB 3.48Å; F348-C426 PolarHBondContact O-N 3.18Å; G349-C426 WeakPolarHBondContact O-CB 3.39Å; V364-C426 HydrophobicContact CG1-CB 4.15Å; V364-C426 HydrophobicContact CG2-CB 3.55Å; L424-C426 PolarHBondContact O-N 2.76Å; C426-R454 WeakPolarHBondContact O-CD 3.39Å
427T97.4Very high97.9Very high1 Ų141.5 Ų41.51%0.00621%0.206CC..SBendtrans-131.2156.8176.365.50000111.3F348 G349 T351 W429 F432F348-T427 PolarHBondContact O-N 3.32Å; G349-T427 WeakPolarHBondContact CA-OG1 3.46Å; T351-T427 WeakPolarHBondContact O-CG2 3.44Å; T427-W429 VanDerWaalsContact C-N 3.26Å; T427-W429 PolarHBondContact O-N 2.71Å; T427-W429 PolarHBondContact OG1-NE1 3.14Å; T427-F432 WeakPolarHBondContact O-CD2 3.46Å
428D95.5Very high97.9Very high61 Ų6143.1 Ų43.133%0.32622%0.219SC..  trans-89.133.7-171.651.7-15000113.8A354 K430 R454 I456A354-D428 WeakPolarHBondContact CB-OD1 3.3Å; A354-D428 PolarHBondContact N-OD1 2.85Å; D428-K430 PolarHBondContact O-N 3.31Å; D428-R454 HydrophobicContact CB-CB 4.36Å; D428-R454 HydrophobicContact CB-CG 4.42Å; D428-R454 IonicContact OD1-CZ 2.81Å; D428-R454 IonicContact OD1-NE 3.52Å; D428-R454 IonicContact OD1-NH2 3.52Å; D428-R454 PolarHBondContact OD1-NH2 2.62Å; D428-R454 IonicContact OD2-CZ 3.3Å; D428-R454 IonicContact OD2-NE 2.89Å; D428-R454 IonicContact OD2-NH2 2.9Å; D428-R454 PolarHBondContact OD2-NH2 2.73Å; D428-I456 HydrophobicContact CB-CG2 4.16Å
429W96.7Very high97.9Very high10 Ų1044.2 Ų44.24%0.03822%0.219CC..  trans-57.3126176.1-71113.5000110.2T351 A354 D355 T356 D382 P383 K384 T427 C431 F432T351-W429 HydrophobicContact CG2-CZ2 4.43Å; A354-W429 HydrophobicContact CB-CD2 3.94Å; A354-W429 HydrophobicContact CB-CE3 3.94Å; A354-W429 HydrophobicContact CB-CG 4.28Å; A354-W429 HydrophobicContact CB-CZ3 4.47Å; D355-W429 VanDerWaalsContact CA-CZ3 3.48Å; D355-W429 HydrophobicContact CB-CZ3 4.47Å; T356-W429 WeakPolarHBondContact O-CH2 3.27Å; T356-W429 WeakPolarHBondContact O-CZ2 3.48Å; D382-W429 PolarHBondContact OD2-NE1 3.11Å; D382-W429 VanDerWaalsContact OD2-NE1 3.16Å; P383-W429 HydrophobicContact CB-CD2 4.42Å; P383-W429 HydrophobicContact CG-CB 4.4Å; P383-W429 HydrophobicContact CG-CD2 4.02Å; P383-W429 HydrophobicContact CG-CG 3.93Å; K384-W429 HydrophobicContact CB-CH2 3.69Å; K384-W429 HydrophobicContact CB-CZ2 3.88Å; K384-W429 HydrophobicContact CG-CH2 3.35Å; K384-W429 HydrophobicContact CG-CZ2 3.99Å; K384-W429 HydrophobicContact CG-CZ3 3.92Å; T427-W429 VanDerWaalsContact C-N 3.26Å; T427-W429 PolarHBondContact O-N 2.71Å; T427-W429 PolarHBondContact OG1-NE1 3.14Å; W429-C431 PolarHBondContact O-N 3.13Å; W429-F432 HydrophobicContact CB-CD1 4Å; W429-F432 HydrophobicContact CB-CD2 3.9Å; W429-F432 HydrophobicContact CB-CE1 3.99Å; W429-F432 HydrophobicContact CB-CE2 3.88Å; W429-F432 HydrophobicContact CB-CG 3.98Å; W429-F432 HydrophobicContact CB-CZ 3.96Å; W429-F432 AromaticContact CD1-CE2 3.59Å; W429-F432 AromaticContact CD1-CZ 3.43Å; W429-F432 VanDerWaalsContact CD1-CZ 3.43Å; W429-F432 HydrophobicContact CG-CE1 4.36Å; W429-F432 HydrophobicContact CG-CE2 4.14Å; W429-F432 HydrophobicContact CG-CZ 4.03Å; W429-F432 WeakPolarHBondContact O-CB 3.3Å; W429-F432 PolarHBondContact O-N 2.89Å
430K96Very high97.9Very high157 Ų15739.3 Ų39.368%0.68319%0.193SC*.G310 helixtrans-56.3-40.1-178.5-174.3176.9178.3-178.80112.4D428 F432 Q433D428-K430 PolarHBondContact O-N 3.31Å; K430-F432 PolarHBondContact O-N 2.85Å; K430-F432 VanDerWaalsContact O-N 3.1Å; K430-Q433 WeakPolarHBondContact O-CB 3.38Å; K430-Q433 PolarHBondContact O-N 3.03Å
431C96.8Very high97.9Very high40 Ų4042.3 Ų42.327%0.2721%0.205SC..G310 helixtrans-59.5-23.5-179.859.50000113.8W429 Q433 D434 Y435W429-C431 PolarHBondContact O-N 3.13Å; C431-Q433 PolarHBondContact O-N 2.81Å; C431-D434 PolarHBondContact O-N 2.95Å; C431-D434 VanDerWaalsContact O-N 3.16Å; C431-Y435 HydrophobicContact CB-CE1 4.26Å; C431-Y435 WeakPolarHBondContact O-CD1 3.43Å; C431-Y435 WeakPolarHBondContact O-CE1 3.39Å; C431-Y435 PolarHBondContact SG-OH 2.73Å
432F98.4Very high97.9Very high0 Ų046.9 Ų46.90%022%0.221CC..G310 helixtrans-65.5-28.6177.4-64.5-8.3000111.8F348 Y381 P383 I425 T427 W429 K430 D434 Y435 Y437 I456F348-F432 VanDerWaalsContact C-CE2 3.45Å; F348-F432 HydrophobicContact CB-CD2 4.17Å; F348-F432 HydrophobicContact CB-CE2 3.74Å; F348-F432 HydrophobicContact CB-CZ 3.91Å; F348-F432 HydrophobicContact CD2-CD1 4.27Å; F348-F432 HydrophobicContact CD2-CE1 4.4Å; F348-F432 HydrophobicContact CD2-CG 4.34Å; F348-F432 WeakPolarHBondContact O-CE2 3.42Å; Y381-F432 HydrophobicContact CD1-CE1 4.22Å; Y381-F432 AromaticContact CE1-CE1 3.91Å; Y381-F432 HydrophobicContact CE1-CE1 3.91Å; P383-F432 HydrophobicContact CG-CE1 3.8Å; P383-F432 HydrophobicContact CG-CZ 4.24Å; I425-F432 HydrophobicContact CG2-CD2 4.21Å; T427-F432 WeakPolarHBondContact O-CD2 3.46Å; W429-F432 HydrophobicContact CB-CD1 4Å; W429-F432 HydrophobicContact CB-CD2 3.9Å; W429-F432 HydrophobicContact CB-CE1 3.99Å; W429-F432 HydrophobicContact CB-CE2 3.88Å; W429-F432 HydrophobicContact CB-CG 3.98Å; W429-F432 HydrophobicContact CB-CZ 3.96Å; W429-F432 AromaticContact CD1-CE2 3.59Å; W429-F432 AromaticContact CD1-CZ 3.43Å; W429-F432 VanDerWaalsContact CD1-CZ 3.43Å; W429-F432 HydrophobicContact CG-CE1 4.36Å; W429-F432 HydrophobicContact CG-CE2 4.14Å; W429-F432 HydrophobicContact CG-CZ 4.03Å; W429-F432 WeakPolarHBondContact O-CB 3.3Å; W429-F432 PolarHBondContact O-N 2.89Å; K430-F432 PolarHBondContact O-N 2.85Å; K430-F432 VanDerWaalsContact O-N 3.1Å; F432-D434 VanDerWaalsContact C-N 3.29Å; F432-D434 PolarHBondContact O-N 2.88Å; F432-Y435 HydrophobicContact CD1-CD2 4.32Å; F432-Y435 AromaticContact CD1-CE2 3.53Å; F432-Y435 HydrophobicContact CD1-CE2 3.53Å; F432-Y435 HydrophobicContact CE1-CE2 4.14Å; F432-Y435 HydrophobicContact CG-CE2 4.5Å; F432-Y437 VanDerWaalsContact O-CE2 3.31Å; F432-Y437 WeakPolarHBondContact O-CE2 3.28Å; F432-Y437 PolarHBondContact O-OH 2.83Å; F432-I456 HydrophobicContact CB-CD1 4.08Å
433Q97.9Very high97.9Very high96 Ų9649.6 Ų49.645%0.44924%0.236SC..G310 helixtrans-72.1-26.1176.8-58.1176.745.300112.4K430 C431 I456 L457K430-Q433 WeakPolarHBondContact O-CB 3.38Å; K430-Q433 PolarHBondContact O-N 3.03Å; C431-Q433 PolarHBondContact O-N 2.81Å; Q433-I456 HydrophobicContact CG-CB 4.05Å; Q433-I456 HydrophobicContact CG-CD1 4.15Å; Q433-I456 HydrophobicContact CG-CG1 4.22Å; Q433-I456 WeakPolarHBondContact CG-O 3.42Å; Q433-L457 HydrophobicContact CG-CD2 4.45Å
434D96.8Very high97.9Very high120 Ų12050.1 Ų50.164%0.64224%0.238SC*.G310 helixtrans-98.62.7-168.5-58.8-42.9000113.4C431 F432C431-D434 PolarHBondContact O-N 2.95Å; C431-D434 VanDerWaalsContact O-N 3.16Å; F432-D434 VanDerWaalsContact C-N 3.29Å; F432-D434 PolarHBondContact O-N 2.88Å
435Y98.1Very high97.9Very high53 Ų5351.9 Ų51.921%0.20825%0.249CC..SBendtrans-76.6153-177.8-69.5-29.2000113.9F348 Y381 P413 C431 F432 Y437 F440F348-Y435 HydrophobicContact CE2-CD2 4.03Å; F348-Y435 HydrophobicContact CE2-CE2 4.18Å; Y381-Y435 HydrophobicContact CE1-CE2 4.29Å; Y381-Y435 PolarHBondContact OH-OH 2.93Å; P413-Y435 HydrophobicContact CB-CD2 4.4Å; P413-Y435 HydrophobicContact CB-CE2 3.96Å; P413-Y435 HydrophobicContact CG-CE1 4.3Å; P413-Y435 HydrophobicContact CG-CE2 4.07Å; C431-Y435 HydrophobicContact CB-CE1 4.26Å; C431-Y435 WeakPolarHBondContact O-CD1 3.43Å; C431-Y435 WeakPolarHBondContact O-CE1 3.39Å; C431-Y435 PolarHBondContact SG-OH 2.73Å; F432-Y435 HydrophobicContact CD1-CD2 4.32Å; F432-Y435 AromaticContact CD1-CE2 3.53Å; F432-Y435 HydrophobicContact CD1-CE2 3.53Å; F432-Y435 HydrophobicContact CE1-CE2 4.14Å; F432-Y435 HydrophobicContact CG-CE2 4.5Å; Y435-Y437 VanDerWaalsContact O-CD2 3.24Å; Y435-Y437 WeakPolarHBondContact O-CD2 3.32Å; Y435-Y437 PolarHBondContact O-N 3.04Å; Y435-F440 AromaticContact CD2-CE2 3.79Å; Y435-F440 HydrophobicContact CD2-CE2 3.79Å; Y435-F440 AromaticContact CD2-CZ 3.94Å; Y435-F440 HydrophobicContact CD2-CZ 3.94Å; Y435-F440 AromaticContact CG-CE2 3.98Å; Y435-F440 HydrophobicContact CG-CE2 3.98Å; Y435-F440 AromaticContact CG-CZ 3.93Å; Y435-F440 HydrophobicContact CG-CZ 3.93Å
436D98Very high97.8Very high85 Ų8556 Ų5646%0.45527%0.267SS..  trans-75.685174.4-177.9-7000110.7A438 K439 F440D436-A438 PolarHBondContact O-N 2.93Å; D436-A438 WeakPolarHBondContact OD1-CB 3.14Å; D436-A438 PolarHBondContact OD1-N 2.95Å; D436-A438 VanDerWaalsContact OD1-N 3.1Å; D436-K439 HydrophobicContact CB-CB 4.02Å; D436-K439 VanDerWaalsContact CG-CB 3.44Å; D436-K439 WeakPolarHBondContact O-CB 3.22Å; D436-K439 PolarHBondContact O-N 3.18Å; D436-K439 VanDerWaalsContact O-N 3.16Å; D436-K439 PolarHBondContact OD1-N 3.44Å; D436-K439 WeakPolarHBondContact OD2-CB 3.39Å; D436-F440 PolarHBondContact O-N 2.94Å
437Y98.6Very high97.8Very high17 Ų1759.3 Ų59.37%0.06729%0.288CS..Hα-helixtrans-64.8-24.5177.7-78.8-82000113.3I423 F432 Y435 K439 F440 Y441 I450 L457 L462 F467I423-Y437 HydrophobicContact CD1-CE1 4.41Å; F432-Y437 VanDerWaalsContact O-CE2 3.31Å; F432-Y437 WeakPolarHBondContact O-CE2 3.28Å; F432-Y437 PolarHBondContact O-OH 2.83Å; Y435-Y437 VanDerWaalsContact O-CD2 3.24Å; Y435-Y437 WeakPolarHBondContact O-CD2 3.32Å; Y435-Y437 PolarHBondContact O-N 3.04Å; Y437-K439 VanDerWaalsContact C-N 3.35Å; Y437-F440 HydrophobicContact CD1-CD2 4.03Å; Y437-F440 HydrophobicContact CE1-CD2 4.2Å; Y437-F440 PolarHBondContact O-N 3.14Å; Y437-Y441 WeakPolarHBondContact O-CB 3.31Å; Y437-Y441 PolarHBondContact O-N 3.16Å; Y437-I450 HydrophobicContact CD1-CD1 3.78Å; Y437-I450 HydrophobicContact CE1-CD1 3.84Å; Y437-L457 HydrophobicContact CE1-CD1 4.14Å; Y437-L457 HydrophobicContact CE2-CD2 4.13Å; Y437-L457 VanDerWaalsContact OH-CD1 3.28Å; Y437-L457 WeakPolarHBondContact OH-CD1 3.36Å; Y437-L457 WeakPolarHBondContact OH-CD2 3.06Å; Y437-L462 HydrophobicContact CD1-CD2 3.5Å; Y437-L462 VanDerWaalsContact CD1-CD2 3.5Å; Y437-L462 HydrophobicContact CD2-CD2 3.88Å; Y437-L462 HydrophobicContact CE1-CD2 4.13Å; Y437-L462 HydrophobicContact CE2-CD2 4.46Å; Y437-L462 HydrophobicContact CG-CD2 3.35Å; Y437-F467 HydrophobicContact CD1-CE2 4.33Å; Y437-F467 WeakPolarHBondContact O-CE2 3.4Å
438A98.4Very high97.8Very high34 Ų3459.2 Ų59.228%0.28129%0.288SS..Hα-helixtrans-68.3-37.5174.100000111D436 R442 I465D436-A438 PolarHBondContact O-N 2.93Å; D436-A438 WeakPolarHBondContact OD1-CB 3.14Å; D436-A438 PolarHBondContact OD1-N 2.95Å; D436-A438 VanDerWaalsContact OD1-N 3.1Å; A438-R442 VanDerWaalsContact C-NH1 3.35Å; A438-R442 PolarHBondContact O-N 3.46Å; A438-R442 PolarHBondContact O-NH1 2.92Å; A438-R442 VanDerWaalsContact O-NH1 3.1Å; A438-I465 HydrophobicContact CB-CD1 4.33Å; A438-I465 HydrophobicContact CB-CG1 4.49Å; A438-I465 HydrophobicContact CB-CG2 4.48Å
439K98.6Very high97.9Very high75 Ų7557.7 Ų57.733%0.32628%0.278SS..Hα-helixtrans-64.6-47.3169.7179.9-173.2177.9-169.50111.7E414 D436 Y437 Y441 R442 L443E414-K439 IonicContact OE1-NZ 2.94Å; E414-K439 PolarHBondContact OE1-NZ 3.24Å; D436-K439 HydrophobicContact CB-CB 4.02Å; D436-K439 VanDerWaalsContact CG-CB 3.44Å; D436-K439 WeakPolarHBondContact O-CB 3.22Å; D436-K439 PolarHBondContact O-N 3.18Å; D436-K439 VanDerWaalsContact O-N 3.16Å; D436-K439 PolarHBondContact OD1-N 3.44Å; D436-K439 WeakPolarHBondContact OD2-CB 3.39Å; Y437-K439 VanDerWaalsContact C-N 3.35Å; K439-Y441 VanDerWaalsContact C-N 3.28Å; K439-Y441 PolarHBondContact O-N 3.46Å; K439-R442 PolarHBondContact O-N 3.11Å; K439-R442 VanDerWaalsContact O-N 3.08Å; K439-L443 HydrophobicContact CG-CD1 4.32Å; K439-L443 PolarHBondContact O-N 3.13Å
440F98.7Very high98Very high2 Ų257.2 Ų57.21%0.00928%0.276CS..Hα-helixtrans-59.2-42.1177.2-65.7-9.6000111.6F348 P413 E414 V417 I423 Y435 D436 Y437 R442 L443 M444F348-F440 AromaticContact CE2-CE2 3.86Å; F348-F440 HydrophobicContact CE2-CE2 3.86Å; F348-F440 HydrophobicContact CZ-CD2 4.44Å; F348-F440 AromaticContact CZ-CE2 3.93Å; F348-F440 HydrophobicContact CZ-CE2 3.93Å; F348-F440 HydrophobicContact CZ-CZ 4.45Å; P413-F440 HydrophobicContact CB-CE1 4.37Å; P413-F440 HydrophobicContact CB-CE2 4.43Å; P413-F440 HydrophobicContact CB-CZ 3.71Å; P413-F440 HydrophobicContact CG-CZ 4.02Å; E414-F440 HydrophobicContact CG-CE1 4.13Å; V417-F440 HydrophobicContact CB-CB 4.48Å; V417-F440 HydrophobicContact CB-CG 4.5Å; V417-F440 HydrophobicContact CG1-CB 4.47Å; V417-F440 HydrophobicContact CG1-CD2 4.2Å; V417-F440 HydrophobicContact CG1-CG 4.18Å; V417-F440 HydrophobicContact CG2-CB 4.08Å; V417-F440 HydrophobicContact CG2-CD1 3.69Å; V417-F440 HydrophobicContact CG2-CE1 4.31Å; V417-F440 HydrophobicContact CG2-CG 3.93Å; I423-F440 HydrophobicContact CD1-CB 4.4Å; I423-F440 HydrophobicContact CD1-CD2 4.19Å; Y435-F440 AromaticContact CD2-CE2 3.79Å; Y435-F440 HydrophobicContact CD2-CE2 3.79Å; Y435-F440 AromaticContact CD2-CZ 3.94Å; Y435-F440 HydrophobicContact CD2-CZ 3.94Å; Y435-F440 AromaticContact CG-CE2 3.98Å; Y435-F440 HydrophobicContact CG-CE2 3.98Å; Y435-F440 AromaticContact CG-CZ 3.93Å; Y435-F440 HydrophobicContact CG-CZ 3.93Å; D436-F440 PolarHBondContact O-N 2.94Å; Y437-F440 HydrophobicContact CD1-CD2 4.03Å; Y437-F440 HydrophobicContact CE1-CD2 4.2Å; Y437-F440 PolarHBondContact O-N 3.14Å; F440-R442 VanDerWaalsContact C-N 3.29Å; F440-R442 PolarHBondContact O-N 3.1Å; F440-L443 PolarHBondContact O-N 3.32Å; F440-M444 VanDerWaalsContact O-CG 3.31Å; F440-M444 WeakPolarHBondContact O-CG 3.35Å; F440-M444 PolarHBondContact O-N 3.18Å; F440-M444 VanDerWaalsContact O-N 3.08Å
441Y98.7Very high98.1Very high63 Ų6349.7 Ų49.725%0.24724%0.243CC..Hα-helixtrans-56.7-41.1174.9-172.6-103.1000111.9Y437 K439 L443 M444 K446 A448 I465 G466 F467Y437-Y441 WeakPolarHBondContact O-CB 3.31Å; Y437-Y441 PolarHBondContact O-N 3.16Å; K439-Y441 VanDerWaalsContact C-N 3.28Å; K439-Y441 PolarHBondContact O-N 3.46Å; Y441-L443 VanDerWaalsContact C-N 3.31Å; Y441-L443 PolarHBondContact O-N 3.04Å; Y441-M444 PolarHBondContact O-N 3.39Å; Y441-K446 HydrophobicContact CE1-CD 4.22Å; Y441-K446 VanDerWaalsContact CE1-CE 3.47Å; Y441-K446 HydrophobicContact CE2-CD 3.79Å; Y441-K446 VanDerWaalsContact CE2-CE 3.41Å; Y441-K446 WeakPolarHBondContact O-CE 3.43Å; Y441-K446 PolarHBondContact O-NZ 3.41Å; Y441-A448 HydrophobicContact CD2-CB 4Å; Y441-A448 HydrophobicContact CE2-CB 4.03Å; Y441-I465 HydrophobicContact CD1-CG2 4.08Å; Y441-I465 HydrophobicContact CD2-CG2 4.18Å; Y441-I465 HydrophobicContact CG-CG2 3.69Å; Y441-G466 VanDerWaalsContact CE2-O 3.28Å; Y441-G466 WeakPolarHBondContact CE2-O 3.27Å; Y441-F467 HydrophobicContact CD2-CD1 4.05Å; Y441-F467 AromaticContact CD2-CD2 4Å; Y441-F467 HydrophobicContact CD2-CD2 4Å; Y441-F467 AromaticContact CD2-CE1 3.97Å; Y441-F467 HydrophobicContact CD2-CE1 3.97Å; Y441-F467 AromaticContact CD2-CE2 3.91Å; Y441-F467 HydrophobicContact CD2-CE2 3.91Å; Y441-F467 HydrophobicContact CD2-CG 4.08Å; Y441-F467 AromaticContact CD2-CZ 3.91Å; Y441-F467 HydrophobicContact CD2-CZ 3.91Å; Y441-F467 HydrophobicContact CG-CE2 4.23Å; Y441-F467 HydrophobicContact CG-CZ 4.31Å
442R98.4Very high98.2Very high170 Ų17047.8 Ų47.864%0.64223%0.23SC*.Hα-helixtrans-66.4-30.3177-68.6-174.5-61.6-86.15.4113.8A438 K439 F440A438-R442 VanDerWaalsContact C-NH1 3.35Å; A438-R442 PolarHBondContact O-N 3.46Å; A438-R442 PolarHBondContact O-NH1 2.92Å; A438-R442 VanDerWaalsContact O-NH1 3.1Å; K439-R442 PolarHBondContact O-N 3.11Å; K439-R442 VanDerWaalsContact O-N 3.08Å; F440-R442 VanDerWaalsContact C-N 3.29Å; F440-R442 PolarHBondContact O-N 3.1Å
443L98.5Very high98.2Very high58 Ų5847.8 Ų47.830%0.30423%0.23SC..Hα-helixtrans-83.5-21.1-178.2-65.7173.7000113.7E414 V417 N419 K439 F440 Y441E414-L443 HydrophobicContact CB-CD1 4.3Å; E414-L443 HydrophobicContact CG-CD1 4.24Å; V417-L443 HydrophobicContact CG2-CB 4.28Å; V417-L443 HydrophobicContact CG2-CD1 4.16Å; N419-L443 PolarHBondContact N-O 3.11Å; K439-L443 HydrophobicContact CG-CD1 4.32Å; K439-L443 PolarHBondContact O-N 3.13Å; F440-L443 PolarHBondContact O-N 3.32Å; Y441-L443 VanDerWaalsContact C-N 3.31Å; Y441-L443 PolarHBondContact O-N 3.04Å
444M98.8Very high98.2Very high10 Ų1045 Ų455%0.04922%0.216CC..SBendtrans-84.9157.7-174.6-77179.376.100113.8V417 A420 I423 F440 Y441 K446 A448 F467V417-M444 HydrophobicContact CB-CG 4.04Å; V417-M444 HydrophobicContact CB-SD 4.39Å; V417-M444 WeakPolarHBondContact O-CG 3.38Å; A420-M444 HydrophobicContact CB-CE 4.29Å; A420-M444 HydrophobicContact CB-CG 4.43Å; A420-M444 VanDerWaalsContact O-CB 3.3Å; A420-M444 WeakPolarHBondContact O-CB 3.43Å; A420-M444 WeakPolarHBondContact O-CE 3.5Å; I423-M444 HydrophobicContact CD1-CE 4.33Å; I423-M444 HydrophobicContact CD1-SD 3.6Å; I423-M444 VanDerWaalsContact CD1-SD 3.6Å; I423-M444 HydrophobicContact CG1-CE 3.76Å; I423-M444 HydrophobicContact CG1-SD 3.67Å; F440-M444 VanDerWaalsContact O-CG 3.31Å; F440-M444 WeakPolarHBondContact O-CG 3.35Å; F440-M444 PolarHBondContact O-N 3.18Å; F440-M444 VanDerWaalsContact O-N 3.08Å; Y441-M444 PolarHBondContact O-N 3.39Å; M444-K446 PolarHBondContact O-NZ 3.42Å; M444-A448 HydrophobicContact CB-CB 4.03Å; M444-A448 HydrophobicContact CE-CB 4.06Å; M444-A448 HydrophobicContact SD-CB 4.33Å; M444-F467 HydrophobicContact CE-CE1 4.3Å; M444-F467 HydrophobicContact SD-CE1 3.6Å; M444-F467 VanDerWaalsContact SD-CE1 3.6Å; M444-F467 HydrophobicContact SD-CZ 4.09Å
445T98.4Very high98.1Very high38 Ų3839.8 Ų39.823%0.23319%0.188CC..  trans-72.5146.4170-57.10000110.5N419 A420 Y421 A448N419-T445 PolarHBondContact O-OG1 2.88Å; A420-T445 PolarHBondContact O-N 3.18Å; Y421-T445 HydrophobicContact CD1-CG2 3.92Å; Y421-T445 HydrophobicContact CD2-CG2 4.46Å; Y421-T445 HydrophobicContact CE1-CG2 3.42Å; Y421-T445 VanDerWaalsContact CE1-CG2 3.42Å; Y421-T445 HydrophobicContact CE2-CG2 4.03Å; Y421-T445 HydrophobicContact CG-CG2 4.42Å; Y421-T445 VanDerWaalsContact CZ-CG2 3.49Å; T445-A448 WeakPolarHBondContact O-CA 3.36Å; T445-A448 PolarHBondContact O-N 3.22Å
446K97.8Very high98Very high86 Ų8638.8 Ų38.837%0.37419%0.185SC..SBendtrans-104144.9-177.4-60.1-70.5159.4-77.60111.7Y441 M444 A448Y441-K446 HydrophobicContact CE1-CD 4.22Å; Y441-K446 VanDerWaalsContact CE1-CE 3.47Å; Y441-K446 HydrophobicContact CE2-CD 3.79Å; Y441-K446 VanDerWaalsContact CE2-CE 3.41Å; Y441-K446 WeakPolarHBondContact O-CE 3.43Å; Y441-K446 PolarHBondContact O-NZ 3.41Å; M444-K446 PolarHBondContact O-NZ 3.42Å; K446-A448 HydrophobicContact CD-CB 4.23Å
447P96.6Very high98Very high69 Ų6935.3 Ų35.345%0.44817%0.167SC..SBendcis-70.4132-5.629.2-34.8000112I468P447-I468 HydrophobicContact CB-CD1 3.97Å
448A98.1Very high97.9Very high0 Ų038.8 Ų38.80%019%0.186CC..  trans-86.4131.6-177.400000110.5Y441 M444 T445 K446 F467 I468Y441-A448 HydrophobicContact CD2-CB 4Å; Y441-A448 HydrophobicContact CE2-CB 4.03Å; M444-A448 HydrophobicContact CB-CB 4.03Å; M444-A448 HydrophobicContact CE-CB 4.06Å; M444-A448 HydrophobicContact SD-CB 4.33Å; T445-A448 WeakPolarHBondContact O-CA 3.36Å; T445-A448 PolarHBondContact O-N 3.22Å; K446-A448 HydrophobicContact CD-CB 4.23Å; A448-F467 HydrophobicContact CB-CD1 3.79Å; A448-F467 HydrophobicContact CB-CE1 3.77Å; A448-I468 PolarHBondContact O-N 3.06Å
449R98.5Very high97.8Very high28 Ų2838.9 Ų38.911%0.10618%0.181CC..EExtended strand (participates in β ladder)trans-113151.1-179.6-80.2175.3176.689.7-7.1112.8K335 Y421 A422 I423 F451 I468K335-R449 PolarHBondContact O-NE 2.93Å; K335-R449 VanDerWaalsContact O-NE 3.12Å; K335-R449 PolarHBondContact O-NH2 3.09Å; Y421-R449 PolarHBondContact O-N 3.01Å; A422-R449 CarbonylContact C-O 3.57Å; A422-R449 WeakPolarHBondContact CA-O 3.28Å; A422-R449 HydrophobicContact CB-CB 4.17Å; I423-R449 PolarHBondContact N-O 3.38Å; R449-F451 HydrophobicContact CB-CD2 4.45Å; R449-F451 HydrophobicContact CB-CE2 3.83Å; R449-F451 HydrophobicContact CB-CZ 4.47Å; R449-I468 VanDerWaalsContact CA-O 3.27Å; R449-I468 WeakPolarHBondContact CA-O 3.25Å; R449-I468 HydrophobicContact CG-CB 3.85Å; R449-I468 HydrophobicContact CG-CG2 4.21Å
450I98.6Very high97.6Very high0 Ų042.5 Ų42.50%020%0.197CC..EExtended strand (participates in β ladder)trans-126130.3166.8-67.3175.4000107.9I423 I425 Y437 L457 L462 F467 I468 E470I423-I450 HydrophobicContact CB-CG1 4.22Å; I423-I450 HydrophobicContact CD1-CG1 4.37Å; I423-I450 CarbonylContact O-C 3.58Å; I423-I450 WeakPolarHBondContact O-CA 3.3Å; I425-I450 HydrophobicContact CG1-CG2 4.46Å; Y437-I450 HydrophobicContact CD1-CD1 3.78Å; Y437-I450 HydrophobicContact CE1-CD1 3.84Å; I450-L457 HydrophobicContact CG2-CD1 3.94Å; I450-L462 HydrophobicContact CD1-CD1 3.79Å; I450-L462 HydrophobicContact CD1-CD2 3.74Å; I450-L462 HydrophobicContact CD1-CG 4.24Å; I450-L462 HydrophobicContact CG2-CD1 4.39Å; I450-F467 HydrophobicContact CD1-CB 4.22Å; I450-F467 HydrophobicContact CD1-CD1 3.6Å; I450-F467 HydrophobicContact CD1-CD2 3.78Å; I450-F467 HydrophobicContact CD1-CE1 3.74Å; I450-F467 HydrophobicContact CD1-CE2 3.91Å; I450-F467 HydrophobicContact CD1-CG 3.6Å; I450-F467 HydrophobicContact CD1-CZ 3.89Å; I450-F467 HydrophobicContact CG1-CB 4.44Å; I450-F467 HydrophobicContact CG1-CD1 3.57Å; I450-F467 HydrophobicContact CG1-CE1 3.83Å; I450-F467 HydrophobicContact CG1-CG 3.99Å; I450-F467 HydrophobicContact CG1-CZ 4.46Å; I450-I468 PolarHBondContact N-O 3.12Å; I450-E470 PolarHBondContact O-N 3.42Å
451F98.5Very high97.5Very high0 Ų047.4 Ų47.40%022%0.22CC..EExtended strand (participates in β ladder)trans-111.2105171.2-63.1-95.9000108.4F328 V332 K335 L336 A422 I423 L424 I425 R449 G453 E470F328-F451 HydrophobicContact CE1-CB 4.39Å; F328-F451 HydrophobicContact CE2-CB 4.11Å; F328-F451 HydrophobicContact CZ-CB 3.59Å; V332-F451 HydrophobicContact CB-CD1 4.48Å; V332-F451 HydrophobicContact CB-CE1 4.3Å; V332-F451 HydrophobicContact CB-CZ 4.36Å; V332-F451 HydrophobicContact CG1-CE2 4.26Å; V332-F451 HydrophobicContact CG1-CZ 4.39Å; V332-F451 HydrophobicContact CG2-CB 4.23Å; V332-F451 HydrophobicContact CG2-CD1 3.66Å; V332-F451 HydrophobicContact CG2-CD2 4.1Å; V332-F451 HydrophobicContact CG2-CE1 3.97Å; V332-F451 HydrophobicContact CG2-CE2 4.37Å; V332-F451 HydrophobicContact CG2-CG 3.74Å; V332-F451 HydrophobicContact CG2-CZ 4.31Å; K335-F451 HydrophobicContact CB-CE1 3.82Å; K335-F451 HydrophobicContact CB-CZ 3.69Å; K335-F451 HydrophobicContact CG-CE1 4.13Å; K335-F451 HydrophobicContact CG-CZ 4.5Å; L336-F451 HydrophobicContact CG-CE2 4.48Å; A422-F451 HydrophobicContact CB-CD2 4.02Å; A422-F451 HydrophobicContact CB-CE2 3.83Å; I423-F451 PolarHBondContact O-N 3.41Å; L424-F451 WeakPolarHBondContact CA-O 3.32Å; L424-F451 HydrophobicContact CD1-CD2 4.03Å; L424-F451 HydrophobicContact CG-CB 4.23Å; L424-F451 HydrophobicContact CG-CD2 4.48Å; I425-F451 PolarHBondContact N-O 3.07Å; R449-F451 HydrophobicContact CB-CD2 4.45Å; R449-F451 HydrophobicContact CB-CE2 3.83Å; R449-F451 HydrophobicContact CB-CZ 4.47Å; F451-G453 PolarHBondContact O-N 3.25Å; F451-E470 CarbonylContact C-O 3.5Å; F451-E470 VanDerWaalsContact CA-O 3.29Å; F451-E470 WeakPolarHBondContact CA-O 3.36Å; F451-E470 HydrophobicContact CD1-CB 3.54Å; F451-E470 HydrophobicContact CD1-CG 4.02Å; F451-E470 HydrophobicContact CE1-CB 3.83Å; F451-E470 HydrophobicContact CE1-CG 3.75Å; F451-E470 HydrophobicContact CG-CB 4.29Å; F451-E470 HydrophobicContact CZ-CG 4.43Å
452D98.1Very high97.5Very high0 Ų044.6 Ų44.60%021%0.209CC..EExtended strand (participates in β ladder)trans-89.292.3-179-169.4-3.9000110.8R454 I455 I456 L457 H459 E470 A471 I472D452-R454 PolarHBondContact O-N 3.42Å; D452-R454 PolarHBondContact OD1-N 2.91Å; D452-R454 VanDerWaalsContact OD1-N 3.09Å; D452-I455 VanDerWaalsContact CG-N 3.28Å; D452-I455 WeakPolarHBondContact OD1-CA 3.32Å; D452-I455 PolarHBondContact OD1-N 2.69Å; D452-I455 VanDerWaalsContact OD2-CA 3.24Å; D452-I455 WeakPolarHBondContact OD2-CA 3.49Å; D452-I455 PolarHBondContact OD2-N 2.85Å; D452-I456 PolarHBondContact OD1-N 3.42Å; D452-I456 PolarHBondContact OD2-N 2.73Å; D452-L457 PolarHBondContact OD2-N 3.45Å; D452-H459 IonicContact OD2-CD2 3.38Å; D452-H459 IonicContact OD2-CE1 3.33Å; D452-H459 IonicContact OD2-NE2 2.67Å; D452-H459 PolarHBondContact OD2-NE2 3.35Å; D452-E470 PolarHBondContact N-O 2.89Å; D452-A471 HydrophobicContact CB-CB 4.04Å; D452-A471 WeakPolarHBondContact O-CA 3.41Å; D452-I472 PolarHBondContact O-N 2.98Å
453G98Very high97.4Very high0 Ų038.8 Ų38.80%019%0.194CC..SBendtrans-78.21.7177.400000114.3S283 L284 I425 F451S283-G453 CarbonylContact C-O 3.6Å; S283-G453 VanDerWaalsContact CA-O 3.23Å; S283-G453 WeakPolarHBondContact CA-O 3.15Å; L284-G453 PolarHBondContact N-O 3Å; I425-G453 CarbonylContact O-C 3.51Å; I425-G453 WeakPolarHBondContact O-CA 3.43Å; I425-G453 PolarHBondContact O-N 3.5Å; F451-G453 PolarHBondContact O-N 3.25Å
454R97.2Very high97.4Very high38 Ų3842.9 Ų42.914%0.14321%0.212CC..SBendtrans-128.3-7.5-179.6-58.7-65-75.7-163.3-1.8113.5I425 C426 D428 D452 I456I425-R454 HydrophobicContact CG2-CB 4.33Å; I425-R454 HydrophobicContact CG2-CG 4.33Å; C426-R454 WeakPolarHBondContact O-CD 3.39Å; D428-R454 HydrophobicContact CB-CB 4.36Å; D428-R454 HydrophobicContact CB-CG 4.42Å; D428-R454 IonicContact OD1-CZ 2.81Å; D428-R454 IonicContact OD1-NE 3.52Å; D428-R454 IonicContact OD1-NH2 3.52Å; D428-R454 PolarHBondContact OD1-NH2 2.62Å; D428-R454 IonicContact OD2-CZ 3.3Å; D428-R454 IonicContact OD2-NE 2.89Å; D428-R454 IonicContact OD2-NH2 2.9Å; D428-R454 PolarHBondContact OD2-NH2 2.73Å; D452-R454 PolarHBondContact O-N 3.42Å; D452-R454 PolarHBondContact OD1-N 2.91Å; D452-R454 VanDerWaalsContact OD1-N 3.09Å; R454-I456 HydrophobicContact CB-CG1 4.34Å; R454-I456 HydrophobicContact CB-CG2 3.88Å; R454-I456 PolarHBondContact O-N 3.24Å
455I96.1Very high97.3Very high10 Ų1044.7 Ų44.75%0.05122%0.221CC..  trans57.538.6178.1-31172.2000111.5I262 K263 A282 D452 I472 I474I262-I455 HydrophobicContact CG2-CD1 3.49Å; I262-I455 VanDerWaalsContact CG2-CD1 3.49Å; K263-I455 HydrophobicContact CD-CG2 4.05Å; K263-I455 WeakPolarHBondContact CE-O 3.16Å; K263-I455 HydrophobicContact CG-CG2 4.42Å; K263-I455 PolarHBondContact NZ-O 3.41Å; A282-I455 HydrophobicContact CB-CD1 4.06Å; D452-I455 VanDerWaalsContact CG-N 3.28Å; D452-I455 WeakPolarHBondContact OD1-CA 3.32Å; D452-I455 PolarHBondContact OD1-N 2.69Å; D452-I455 VanDerWaalsContact OD2-CA 3.24Å; D452-I455 WeakPolarHBondContact OD2-CA 3.49Å; D452-I455 PolarHBondContact OD2-N 2.85Å; I455-I472 HydrophobicContact CD1-CB 4.41Å; I455-I472 HydrophobicContact CD1-CG2 4.45Å; I455-I472 WeakPolarHBondContact CD1-O 3.13Å; I455-I472 HydrophobicContact CG1-CB 4.33Å; I455-I472 WeakPolarHBondContact CG1-O 3.27Å; I455-I474 HydrophobicContact CG2-CD1 3.86Å
456I96.2Very high97.3Very high31 Ų3144.3 Ų44.316%0.15923%0.225CC..  trans-99.4-16.3-176.361.9171.8000113.1I425 D428 F432 Q433 D452 R454I425-I456 HydrophobicContact CG2-CD1 3.71Å; I425-I456 HydrophobicContact CG2-CG1 3.96Å; D428-I456 HydrophobicContact CB-CG2 4.16Å; F432-I456 HydrophobicContact CB-CD1 4.08Å; Q433-I456 HydrophobicContact CG-CB 4.05Å; Q433-I456 HydrophobicContact CG-CD1 4.15Å; Q433-I456 HydrophobicContact CG-CG1 4.22Å; Q433-I456 WeakPolarHBondContact CG-O 3.42Å; D452-I456 PolarHBondContact OD1-N 3.42Å; D452-I456 PolarHBondContact OD2-N 2.73Å; R454-I456 HydrophobicContact CB-CG1 4.34Å; R454-I456 HydrophobicContact CB-CG2 3.88Å; R454-I456 PolarHBondContact O-N 3.24Å
457L97.4Very high97.3Very high12 Ų1240.3 Ų40.36%0.06321%0.208CC..SBendtrans-90.5161.7-173.7-55.9-174.2000113I425 Q433 Y437 I450 D452 H459 L462I425-L457 HydrophobicContact CD1-CD1 3.9Å; I425-L457 HydrophobicContact CG1-CD1 3.61Å; I425-L457 HydrophobicContact CG1-CG 4.21Å; Q433-L457 HydrophobicContact CG-CD2 4.45Å; Y437-L457 HydrophobicContact CE1-CD1 4.14Å; Y437-L457 HydrophobicContact CE2-CD2 4.13Å; Y437-L457 VanDerWaalsContact OH-CD1 3.28Å; Y437-L457 WeakPolarHBondContact OH-CD1 3.36Å; Y437-L457 WeakPolarHBondContact OH-CD2 3.06Å; I450-L457 HydrophobicContact CG2-CD1 3.94Å; D452-L457 PolarHBondContact OD2-N 3.45Å; L457-H459 PolarHBondContact O-CD2 2.94Å; L457-H459 PolarHBondContact O-N 2.94Å; L457-L462 HydrophobicContact CB-CD1 3.84Å; L457-L462 HydrophobicContact CD1-CD1 3.8Å
458N96.5Very high97.4Very high90 Ų9038.8 Ų38.848%0.48120%0.196SC..  trans-85.389.9171.6-175.7-5.3000111K460 E461 L462N458-K460 VanDerWaalsContact C-N 3.28Å; N458-K460 PolarHBondContact O-N 2.91Å; N458-E461 HydrophobicContact CB-CB 4.08Å; N458-E461 WeakPolarHBondContact ND2-CB 3.48Å; N458-E461 PolarHBondContact ND2-OE2 2.66Å; N458-E461 PolarHBondContact O-N 2.93Å; N458-E461 PolarHBondContact OD1-N 3.21Å; N458-L462 WeakPolarHBondContact O-CG 3.07Å; N458-L462 PolarHBondContact O-N 2.95Å; N458-L462 VanDerWaalsContact O-N 3.12Å
459H95.9Very high97.4Very high36 Ų3639.9 Ų39.917%0.16720%0.202CC..Hα-helixtrans-61.6-32.4-173.1-54.8155.3000114D452 L457 S463 V469 A471D452-H459 IonicContact OD2-CD2 3.38Å; D452-H459 IonicContact OD2-CE1 3.33Å; D452-H459 IonicContact OD2-NE2 2.67Å; D452-H459 PolarHBondContact OD2-NE2 3.35Å; L457-H459 PolarHBondContact O-CD2 2.94Å; L457-H459 PolarHBondContact O-N 2.94Å; H459-S463 WeakPolarHBondContact O-CB 3.05Å; H459-S463 PolarHBondContact O-N 2.94Å; H459-S463 PolarHBondContact O-OG 3.4Å; H459-V469 HydrophobicContact CB-CG1 3.98Å; H459-A471 WeakPolarHBondContact CE1-CB 3.13Å
460K95.1Very high97.3Very high151 Ų15139.1 Ų39.166%0.65720%0.2SC*.Hα-helixtrans-66.3-45.1177.7-177.2177.7179.8178.20111.6N458 S463 Q464N458-K460 VanDerWaalsContact C-N 3.28Å; N458-K460 PolarHBondContact O-N 2.91Å; K460-S463 PolarHBondContact O-N 3.45Å; K460-Q464 WeakPolarHBondContact O-CG 3.28Å; K460-Q464 PolarHBondContact O-N 3.38Å
461E97.2Very high97.2Very high105 Ų10539.6 Ų39.649%0.49120%0.204SC..Hα-helixtrans-65.3-42178-179.1175-176.800111.5N458 S463 Q464 I465N458-E461 HydrophobicContact CB-CB 4.08Å; N458-E461 WeakPolarHBondContact ND2-CB 3.48Å; N458-E461 PolarHBondContact ND2-OE2 2.66Å; N458-E461 PolarHBondContact O-N 2.93Å; N458-E461 PolarHBondContact OD1-N 3.21Å; E461-S463 VanDerWaalsContact C-N 3.33Å; E461-S463 PolarHBondContact O-N 3.21Å; E461-Q464 WeakPolarHBondContact O-CB 3.2Å; E461-Q464 PolarHBondContact O-N 2.74Å; E461-I465 WeakPolarHBondContact O-CG1 3.46Å; E461-I465 PolarHBondContact O-N 3.37Å; E461-I465 VanDerWaalsContact O-N 3.09Å
462L98.1Very high97.1Very high4 Ų439.8 Ų39.82%0.02121%0.205CC..Hα-helixtrans-60.8-42174.7-65.7174.8000112.5Y437 I450 L457 N458 Q464 I465 G466 F467 V469Y437-L462 HydrophobicContact CD1-CD2 3.5Å; Y437-L462 VanDerWaalsContact CD1-CD2 3.5Å; Y437-L462 HydrophobicContact CD2-CD2 3.88Å; Y437-L462 HydrophobicContact CE1-CD2 4.13Å; Y437-L462 HydrophobicContact CE2-CD2 4.46Å; Y437-L462 HydrophobicContact CG-CD2 3.35Å; I450-L462 HydrophobicContact CD1-CD1 3.79Å; I450-L462 HydrophobicContact CD1-CD2 3.74Å; I450-L462 HydrophobicContact CD1-CG 4.24Å; I450-L462 HydrophobicContact CG2-CD1 4.39Å; L457-L462 HydrophobicContact CB-CD1 3.84Å; L457-L462 HydrophobicContact CD1-CD1 3.8Å; N458-L462 WeakPolarHBondContact O-CG 3.07Å; N458-L462 PolarHBondContact O-N 2.95Å; N458-L462 VanDerWaalsContact O-N 3.12Å; L462-Q464 VanDerWaalsContact C-N 3.33Å; L462-Q464 PolarHBondContact O-N 2.71Å; L462-I465 WeakPolarHBondContact O-CB 3.08Å; L462-I465 PolarHBondContact O-N 3.05Å; L462-G466 PolarHBondContact O-N 3.3Å; L462-F467 HydrophobicContact CB-CB 4.32Å; L462-F467 HydrophobicContact CB-CD2 4.33Å; L462-F467 HydrophobicContact CD2-CD2 4.13Å; L462-F467 HydrophobicContact CD2-CE2 4.38Å; L462-F467 WeakPolarHBondContact O-CB 3.47Å; L462-F467 PolarHBondContact O-N 3.37Å; L462-V469 HydrophobicContact CB-CG2 3.64Å; L462-V469 HydrophobicContact CD1-CG2 4.27Å
463S96.6Very high97Very high48 Ų4839.8 Ų39.834%0.33621%0.205SC..Hα-helixtrans-65.7-36.5177.2-56.70000111.8H459 K460 E461 I465 G466H459-S463 WeakPolarHBondContact O-CB 3.05Å; H459-S463 PolarHBondContact O-N 2.94Å; H459-S463 PolarHBondContact O-OG 3.4Å; K460-S463 PolarHBondContact O-N 3.45Å; E461-S463 VanDerWaalsContact C-N 3.33Å; E461-S463 PolarHBondContact O-N 3.21Å; S463-I465 VanDerWaalsContact C-N 3.33Å; S463-I465 PolarHBondContact O-N 2.86Å; S463-G466 PolarHBondContact O-N 3.48Å; S463-G466 VanDerWaalsContact O-N 3.1Å
464Q97.5Very high96.8Very high144 Ų14441.8 Ų41.867%0.67322%0.215SC*.Hα-helixtrans-65.4-32.6174.1-73.3173.6-10.600113.2K460 E461 L462 G466K460-Q464 WeakPolarHBondContact O-CG 3.28Å; K460-Q464 PolarHBondContact O-N 3.38Å; E461-Q464 WeakPolarHBondContact O-CB 3.2Å; E461-Q464 PolarHBondContact O-N 2.74Å; L462-Q464 VanDerWaalsContact C-N 3.33Å; L462-Q464 PolarHBondContact O-N 2.71Å; Q464-G466 VanDerWaalsContact C-N 3.26Å
465I97.9Very high96.4Very high48 Ų4841 Ų4125%0.24622%0.217CC..Hα-helixtrans-68.4-29.9172.7-67.4164.5000111.1A438 Y441 E461 L462 S463 F467A438-I465 HydrophobicContact CB-CD1 4.33Å; A438-I465 HydrophobicContact CB-CG1 4.49Å; A438-I465 HydrophobicContact CB-CG2 4.48Å; Y441-I465 HydrophobicContact CD1-CG2 4.08Å; Y441-I465 HydrophobicContact CD2-CG2 4.18Å; Y441-I465 HydrophobicContact CG-CG2 3.69Å; E461-I465 WeakPolarHBondContact O-CG1 3.46Å; E461-I465 PolarHBondContact O-N 3.37Å; E461-I465 VanDerWaalsContact O-N 3.09Å; L462-I465 WeakPolarHBondContact O-CB 3.08Å; L462-I465 PolarHBondContact O-N 3.05Å; S463-I465 VanDerWaalsContact C-N 3.33Å; S463-I465 PolarHBondContact O-N 2.86Å; I465-F467 HydrophobicContact CB-CD2 4.31Å; I465-F467 HydrophobicContact CG2-CD2 4.06Å; I465-F467 HydrophobicContact CG2-CE2 4Å
466G97.8Very high95.6Very high31 Ų3142.8 Ų42.832%0.3223%0.23SC..THydrogen-bonded Turntrans118.48.4178.900000114.5Y441 L462 S463 Q464Y441-G466 VanDerWaalsContact CE2-O 3.28Å; Y441-G466 WeakPolarHBondContact CE2-O 3.27Å; L462-G466 PolarHBondContact O-N 3.3Å; S463-G466 PolarHBondContact O-N 3.48Å; S463-G466 VanDerWaalsContact O-N 3.1Å; Q464-G466 VanDerWaalsContact C-N 3.26Å
467F98.4Very high94.3Very high2 Ų248.7 Ų48.71%0.00926%0.257CS..  trans-69.2143.6171.6-73.8-78.4000111.2Y437 Y441 M444 A448 I450 L462 I465 V469Y437-F467 HydrophobicContact CD1-CE2 4.33Å; Y437-F467 WeakPolarHBondContact O-CE2 3.4Å; Y441-F467 HydrophobicContact CD2-CD1 4.05Å; Y441-F467 AromaticContact CD2-CD2 4Å; Y441-F467 HydrophobicContact CD2-CD2 4Å; Y441-F467 AromaticContact CD2-CE1 3.97Å; Y441-F467 HydrophobicContact CD2-CE1 3.97Å; Y441-F467 AromaticContact CD2-CE2 3.91Å; Y441-F467 HydrophobicContact CD2-CE2 3.91Å; Y441-F467 HydrophobicContact CD2-CG 4.08Å; Y441-F467 AromaticContact CD2-CZ 3.91Å; Y441-F467 HydrophobicContact CD2-CZ 3.91Å; Y441-F467 HydrophobicContact CG-CE2 4.23Å; Y441-F467 HydrophobicContact CG-CZ 4.31Å; M444-F467 HydrophobicContact CE-CE1 4.3Å; M444-F467 HydrophobicContact SD-CE1 3.6Å; M444-F467 VanDerWaalsContact SD-CE1 3.6Å; M444-F467 HydrophobicContact SD-CZ 4.09Å; A448-F467 HydrophobicContact CB-CD1 3.79Å; A448-F467 HydrophobicContact CB-CE1 3.77Å; I450-F467 HydrophobicContact CD1-CB 4.22Å; I450-F467 HydrophobicContact CD1-CD1 3.6Å; I450-F467 HydrophobicContact CD1-CD2 3.78Å; I450-F467 HydrophobicContact CD1-CE1 3.74Å; I450-F467 HydrophobicContact CD1-CE2 3.91Å; I450-F467 HydrophobicContact CD1-CG 3.6Å; I450-F467 HydrophobicContact CD1-CZ 3.89Å; I450-F467 HydrophobicContact CG1-CB 4.44Å; I450-F467 HydrophobicContact CG1-CD1 3.57Å; I450-F467 HydrophobicContact CG1-CE1 3.83Å; I450-F467 HydrophobicContact CG1-CG 3.99Å; I450-F467 HydrophobicContact CG1-CZ 4.46Å; L462-F467 HydrophobicContact CB-CB 4.32Å; L462-F467 HydrophobicContact CB-CD2 4.33Å; L462-F467 HydrophobicContact CD2-CD2 4.13Å; L462-F467 HydrophobicContact CD2-CE2 4.38Å; L462-F467 WeakPolarHBondContact O-CB 3.47Å; L462-F467 PolarHBondContact O-N 3.37Å; I465-F467 HydrophobicContact CB-CD2 4.31Å; I465-F467 HydrophobicContact CG2-CD2 4.06Å; I465-F467 HydrophobicContact CG2-CE2 4Å; F467-V469 HydrophobicContact CB-CG2 4.06Å
468I97.7Very high92.3Very high36 Ų3653.2 Ų53.219%0.18529%0.289CS..EExtended strand (participates in β ladder)trans-87.9113.9161.2-59.8170.6000106.6P447 A448 R449 I450 F479P447-I468 HydrophobicContact CB-CD1 3.97Å; A448-I468 PolarHBondContact O-N 3.06Å; R449-I468 VanDerWaalsContact CA-O 3.27Å; R449-I468 WeakPolarHBondContact CA-O 3.25Å; R449-I468 HydrophobicContact CG-CB 3.85Å; R449-I468 HydrophobicContact CG-CG2 4.21Å; I450-I468 PolarHBondContact N-O 3.12Å; I468-F479 HydrophobicContact CG1-CE2 4.18Å
469V97.3Very high90Very high24 Ų2456.2 Ų56.215%0.14530%0.298CS..EExtended strand (participates in β ladder)trans-102.7132.5-173.2-172.80000110.4H459 L462 F467H459-V469 HydrophobicContact CB-CG1 3.98Å; L462-V469 HydrophobicContact CB-CG2 3.64Å; L462-V469 HydrophobicContact CD1-CG2 4.27Å; F467-V469 HydrophobicContact CB-CG2 4.06Å
470E96.3Very high87Confident12 Ų1259.2 Ų59.26%0.05632%0.319CS..EExtended strand (participates in β ladder)trans-123.9139.5172-62.5-71.3179.500107.3K335 I450 F451 D452 S476K335-E470 WeakPolarHBondContact CD-OE1 3.26Å; K335-E470 WeakPolarHBondContact CE-OE1 3.2Å; K335-E470 HydrophobicContact CG-CG 4.35Å; K335-E470 IonicContact NZ-OE1 2.77Å; K335-E470 PolarHBondContact NZ-OE1 3.37Å; K335-E470 IonicContact NZ-OE2 2.75Å; I450-E470 PolarHBondContact O-N 3.42Å; F451-E470 CarbonylContact C-O 3.5Å; F451-E470 VanDerWaalsContact CA-O 3.29Å; F451-E470 WeakPolarHBondContact CA-O 3.36Å; F451-E470 HydrophobicContact CD1-CB 3.54Å; F451-E470 HydrophobicContact CD1-CG 4.02Å; F451-E470 HydrophobicContact CE1-CB 3.83Å; F451-E470 HydrophobicContact CE1-CG 3.75Å; F451-E470 HydrophobicContact CG-CB 4.29Å; F451-E470 HydrophobicContact CZ-CG 4.43Å; D452-E470 PolarHBondContact N-O 2.89Å; E470-S476 PolarHBondContact OE1-OG 3.41Å; E470-S476 WeakPolarHBondContact OE2-CB 3.18Å; E470-S476 PolarHBondContact OE2-OG 3.16Å
471A96.8Very high84.1Confident10 Ų1059.9 Ų59.98%0.08333%0.327CS..EExtended strand (participates in β ladder)trans-146.2149.7-178.200000111.5D452 H459 G473 I474D452-A471 HydrophobicContact CB-CB 4.04Å; D452-A471 WeakPolarHBondContact O-CA 3.41Å; H459-A471 WeakPolarHBondContact CE1-CB 3.13Å; A471-G473 PolarHBondContact O-N 3.23Å; A471-I474 HydrophobicContact CB-CB 4.35Å; A471-I474 HydrophobicContact CB-CD1 4.09Å; A471-I474 PolarHBondContact O-N 2.82Å
472I96.9Very high81.2Confident3 Ų362.3 Ų62.32%0.01534%0.343CS..THydrogen-bonded Turntrans-63.3133.8175.5-70.3179000109.9A282 S283 L284 F328 D452 I455 I474A282-I472 HydrophobicContact CB-CG2 4.01Å; S283-I472 WeakPolarHBondContact O-CD1 3.26Å; L284-I472 HydrophobicContact CB-CD1 4.42Å; L284-I472 VanDerWaalsContact N-CD1 3.28Å; F328-I472 HydrophobicContact CD2-CD1 3.64Å; F328-I472 HydrophobicContact CD2-CG1 3.6Å; F328-I472 HydrophobicContact CE2-CD1 4.15Å; F328-I472 HydrophobicContact CE2-CG1 4.02Å; F328-I472 HydrophobicContact CG-CD1 4.41Å; D452-I472 PolarHBondContact O-N 2.98Å; I455-I472 HydrophobicContact CD1-CB 4.41Å; I455-I472 HydrophobicContact CD1-CG2 4.45Å; I455-I472 WeakPolarHBondContact CD1-O 3.13Å; I455-I472 HydrophobicContact CG1-CB 4.33Å; I455-I472 WeakPolarHBondContact CG1-O 3.27Å; I472-I474 VanDerWaalsContact C-N 3.25Å; I472-I474 PolarHBondContact O-N 2.7Å
473G96.3Very high78.1Confident0 Ų064.9 Ų64.90%037%0.371CS..THydrogen-bonded Turntrans7212.6174.800000115.9S252 C255 E256 I262 A471S252-G473 WeakPolarHBondContact O-CA 3.22Å; C255-G473 WeakPolarHBondContact CB-O 3.22Å; E256-G473 PolarHBondContact OE1-N 3.48Å; I262-G473 PolarHBondContact N-O 2.89Å; A471-G473 PolarHBondContact O-N 3.23Å
474I94Very high75Confident43 Ų4372.9 Ų72.922%0.22140%0.395CS..BIsolated β-bridgetrans-127.8129176.3-58.3175.7000107.6I455 A471 I472I455-I474 HydrophobicContact CG2-CD1 3.86Å; A471-I474 HydrophobicContact CB-CB 4.35Å; A471-I474 HydrophobicContact CB-CD1 4.09Å; A471-I474 PolarHBondContact O-N 2.82Å; I472-I474 VanDerWaalsContact C-N 3.25Å; I472-I474 PolarHBondContact O-N 2.7Å
475A88.3Confident72.1Confident21 Ų2172.9 Ų72.917%0.17441%0.405CS..PPolyproline II helixtrans-64.9137.1177.400000111.1N259 E477N259-A475 HydrophobicContact CB-CB 4.36Å; N259-A475 WeakPolarHBondContact OD1-CB 3.36Å; A475-E477 PolarHBondContact O-N 3.34Å
476S78.5Confident69.1Low47 Ų4781.7 Ų81.733%0.32945%0.452SS..PPolyproline II helixtrans-60.6131.1175-45.30000109.9K335 E470 S478K335-S476 PolarHBondContact NZ-OG 3.28Å; E470-S476 PolarHBondContact OE1-OG 3.41Å; E470-S476 WeakPolarHBondContact OE2-CB 3.18Å; E470-S476 PolarHBondContact OE2-OG 3.16Å; S476-S478 PolarHBondContact O-N 3.03Å
477E69.7Low67.7Low155 Ų15584.2 Ų84.272%0.72446%0.459SS*.PPolyproline II helixtrans-60.8123.9167.3-71.2-174.1175.700108.7A475 F479A475-E477 PolarHBondContact O-N 3.34Å; E477-F479 PolarHBondContact O-N 2.66Å
478S54.9Low66Low107 Ų10788.5 Ų88.575%0.74848%0.482SS*.  trans-68.2105.1171.741.40000107.7S476 T480S476-S478 PolarHBondContact O-N 3.03Å; S478-T480 PolarHBondContact O-N 2.74Å
479F49.4Very low64.3Low153 Ų15391.4 Ų91.467%0.67150%0.499SS*.  trans-65.984.8169-110-90000108.4I468 E477 M481I468-F479 HydrophobicContact CG1-CE2 4.18Å; E477-F479 PolarHBondContact O-N 2.66Å; F479-M481 PolarHBondContact O-N 3.4Å
480T32.4Very low62.3Low99 Ų9995.4 Ų95.461%0.60752%0.52SS*.  trans-68112155.6430000106.4S478 N482S478-T480 PolarHBondContact O-N 2.74Å; T480-N482 PolarHBondContact O-N 2.81Å
481M35Very low60.2Low166 Ų166100.6 Ų100.682%0.81855%0.549SS*.  trans-57.383164.8-87.5-98.3-158.700108.5F479 G483F479-M481 PolarHBondContact O-N 3.4Å; M481-G483 VanDerWaalsContact C-N 3.25Å; M481-G483 PolarHBondContact O-N 3.18Å
482N35.8Very low57.8Low155 Ų155106.7 Ų106.783%0.82958%0.58SS**  trans-72.188.3167-82.5-13.7000107T480T480-N482 PolarHBondContact O-N 2.81Å
483G32.6Very low55Low58 Ų58114.1 Ų114.160%0.59862%0.62SS**  trans178.926.6-178.500000116M481M481-G483 VanDerWaalsContact C-N 3.25Å; M481-G483 PolarHBondContact O-N 3.18Å
484Y32.4Very low51.8Low217 Ų217122.8 Ų122.885%0.85167%0.668SS**  trans-123.695.6156.5-77.7-83.8000107
485V35.7Very low48.3Very low144 Ų144129.5 Ų129.587%0.87371%0.705SS**  trans-91124.5151.2-178.90000104
486D34.7Very low44.6Very low232 Ų232139.4 Ų139.4100%1.24175%0.754SS**  trans-44.40-177.7-72.6-39.8000114.8

Retrieved 486 of 486 residues in 203.3 ms (Link to these results)

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