RAN_CHICK Loading...

GTP-binding nuclear protein Ran

GTPase involved in nucleocytoplasmic transport, participating both to the import and the export from the nucleus of proteins and RNAs. Switches between a cytoplasmic GDP- and a nuclear GTP-bound state by nucleotide exchange and GTP hydrolysis. Nuclear import receptors such as importin beta bind their substrates only in the absence of GTP-bound RAN and release them upon direct interaction with GTP-bound RAN, while export receptors behave in the opposite way. Thereby, RAN controls cargo loading and release by transport receptors in the proper compartment and ensures the directionality of the transport. Interaction with RANBP1 induces a conformation change in the complex formed by XPO1 and RAN that triggers the release of the nuclear export signal of cargo proteins. RAN (GTP-bound form) triggers microtubule assembly at mitotic chromosomes and is required for normal mitotic spindle assembly and chromosome segregation. Required for normal progress through mitosis.

AlphaFold DB , UniProt , Accession P42558, Species CHICK (Gallus gallus, Chicken), Gene RAN, Length 216 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M37.2Very low60.5Low249 Ų249115.8 Ų115.8100%1.22768%0.676SS**  092.40-70-159.3-9400107.9
2A36.8Very low63.6Low98 Ų98108.3 Ų108.381%0.8163%0.629SS**  trans-82.5131.9170.300000107.5Q4A2-Q4 PolarHBondContact O-N 3.27Å; A2-Q4 VanDerWaalsContact O-N 3.1Å
3A42.2Very low66.3Low98 Ų9899.9 Ų99.981%0.8158%0.58SS**  trans-54.6115.6-17800000110.8G5A3-G5 PolarHBondContact O-N 3.43Å
4Q35.8Very low68.5Low197 Ų19792.8 Ų92.892%0.92154%0.539SS*.SBendtrans-72115.4161.3-70.3178.5-14.900107A2A2-Q4 PolarHBondContact O-N 3.27Å; A2-Q4 VanDerWaalsContact O-N 3.1Å
5G48.9Very low70.4Confident72 Ų7286.7 Ų86.774%0.74250%0.503SS*.  trans136.50.6156.900000120.2A3A3-G5 PolarHBondContact O-N 3.43Å
6E49.2Very low72Confident176 Ų17681.3 Ų81.382%0.82247%0.472SS*.PPolyproline II helixtrans-73.2130.4172.7-77.2-175170.400110.9Q8E6-Q8 PolarHBondContact O-N 2.86Å
7P52Low73.4Confident121 Ų12176.5 Ų76.579%0.78645%0.445SS*.PPolyproline II helixtrans-57.6118.2172.39.4-10.4000108.6V9P7-V9 PolarHBondContact O-N 2.9Å; P7-V9 VanDerWaalsContact O-N 3.1Å
8Q74Confident74.6Confident72 Ų7273.5 Ų73.534%0.33643%0.426SS..PPolyproline II helixtrans-61.3116.1-175.8-169.2173.71700109.5E6 Q10 K60E6-Q8 PolarHBondContact O-N 2.86Å; Q8-Q10 PolarHBondContact O-N 2.82Å; Q8-Q10 VanDerWaalsContact O-N 3.07Å; Q8-K60 HydrophobicContact CG-CB 4.34Å
9V94.3Very high75.6Confident68 Ų6870.8 Ų70.841%0.41242%0.417SS..EExtended strand (participates in β ladder)trans-56.2118175.1178.40000108.1P7 F11 K60 I169P7-V9 PolarHBondContact O-N 2.9Å; P7-V9 VanDerWaalsContact O-N 3.1Å; V9-F11 HydrophobicContact CG1-CD2 4.41Å; V9-F11 HydrophobicContact CG1-CE1 4.48Å; V9-F11 HydrophobicContact CG1-CE2 3.51Å; V9-F11 HydrophobicContact CG1-CZ 3.54Å; V9-K60 PolarHBondContact O-N 2.97Å; V9-I169 HydrophobicContact CG1-CD1 3.98Å
10Q96.7Very high76.5Confident102 Ų10268.7 Ų68.748%0.47741%0.41SS..EExtended strand (participates in β ladder)trans-134.3141.9-175.265.3178.93.300112.1Q8 K60 N62Q8-Q10 PolarHBondContact O-N 2.82Å; Q8-Q10 VanDerWaalsContact O-N 3.07Å; Q10-K60 CarbonylContact C-O 3.59Å; Q10-K60 WeakPolarHBondContact CA-O 3.38Å; Q10-K60 HydrophobicContact CB-CB 4.01Å; Q10-K60 HydrophobicContact CB-CD 4.45Å; Q10-N62 PolarHBondContact OE1-ND2 3.01Å
11F98.1Very high77.5Confident21 Ų2165.4 Ų65.49%0.09239%0.39CS..EExtended strand (participates in β ladder)trans-127.1135.7-179.5-58.4-73.3000110.5V9 L13 I59 K60 F61 N62 Q84 L168 I169V9-F11 HydrophobicContact CG1-CD2 4.41Å; V9-F11 HydrophobicContact CG1-CE1 4.48Å; V9-F11 HydrophobicContact CG1-CE2 3.51Å; V9-F11 HydrophobicContact CG1-CZ 3.54Å; F11-L13 PolarHBondContact O-N 3.23Å; F11-I59 HydrophobicContact CD2-CG2 3.75Å; F11-I59 HydrophobicContact CE2-CG2 3.77Å; F11-K60 PolarHBondContact N-O 3.21Å; F11-F61 HydrophobicContact CB-CD1 3.94Å; F11-F61 HydrophobicContact CB-CE1 4.08Å; F11-F61 HydrophobicContact CD2-CE1 4.13Å; F11-F61 HydrophobicContact CD2-CZ 4.5Å; F11-F61 HydrophobicContact CG-CE1 4.46Å; F11-F61 CarbonylContact O-C 3.51Å; F11-F61 WeakPolarHBondContact O-CA 3.34Å; F11-N62 PolarHBondContact O-N 2.86Å; F11-Q84 VanDerWaalsContact CA-OE1 3.27Å; F11-Q84 HydrophobicContact CB-CB 4.37Å; F11-Q84 HydrophobicContact CD1-CB 4.17Å; F11-L168 HydrophobicContact CB-CD1 4.08Å; F11-L168 HydrophobicContact CD1-CB 4.26Å; F11-L168 HydrophobicContact CD1-CD1 3.92Å; F11-L168 HydrophobicContact CD1-CD2 4.05Å; F11-L168 HydrophobicContact CD1-CG 4.31Å; F11-L168 HydrophobicContact CD2-CB 4.45Å; F11-L168 HydrophobicContact CD2-CD1 3.82Å; F11-L168 HydrophobicContact CE1-CB 3.82Å; F11-L168 HydrophobicContact CE1-CD1 4.33Å; F11-L168 HydrophobicContact CE1-CD2 4.2Å; F11-L168 HydrophobicContact CE1-CG 4.34Å; F11-L168 HydrophobicContact CE2-CB 4Å; F11-L168 HydrophobicContact CE2-CD1 4.21Å; F11-L168 HydrophobicContact CG-CD1 3.67Å; F11-L168 HydrophobicContact CZ-CB 3.68Å; F11-L168 HydrophobicContact CZ-CD1 4.46Å; F11-I169 HydrophobicContact CE2-CD1 4.05Å; F11-I169 HydrophobicContact CZ-CD1 3.87Å
12K98Very high80.3Confident25 Ų2554.1 Ų54.111%0.10934%0.338CS..EExtended strand (participates in β ladder)trans-74.9114.5165.3179.8170.5171.6174.10108.8W64 Y79 I81 Q84 C85K12-W64 HydrophobicContact CD-CD2 4.47Å; K12-W64 HydrophobicContact CD-CZ2 4.3Å; K12-W64 HydrophobicContact CG-CG 4.48Å; K12-Y79 WeakPolarHBondContact CE-O 3.42Å; K12-Y79 PolarHBondContact NZ-O 3.02Å; K12-I81 PolarHBondContact NZ-O 3.23Å; K12-Q84 PolarHBondContact O-N 3.27Å; K12-C85 PolarHBondContact O-N 3.45Å
13L98.4Very high83.1Confident0 Ų049.9 Ų49.90%030%0.301CS..EExtended strand (participates in β ladder)trans-106.4122.2173-173.5154.4000108.8F11 L15 F61 N62 V63 W64 C85 I87 F161 L164F11-L13 PolarHBondContact O-N 3.23Å; L13-L15 HydrophobicContact CD2-CB 4.18Å; L13-F61 HydrophobicContact CB-CB 4.36Å; L13-F61 HydrophobicContact CB-CD1 4.09Å; L13-F61 HydrophobicContact CD1-CB 4.48Å; L13-F61 HydrophobicContact CD1-CD1 3.86Å; L13-F61 HydrophobicContact CD1-CE1 4.37Å; L13-F61 HydrophobicContact CD1-CG 4.28Å; L13-N62 PolarHBondContact N-O 3.27Å; L13-V63 HydrophobicContact CB-CG2 4.31Å; L13-V63 HydrophobicContact CD2-CB 4.48Å; L13-V63 HydrophobicContact CD2-CG1 3.85Å; L13-V63 HydrophobicContact CD2-CG2 4.22Å; L13-V63 CarbonylContact O-C 3.58Å; L13-V63 WeakPolarHBondContact O-CA 3.35Å; L13-W64 PolarHBondContact O-N 3.32Å; L13-C85 WeakPolarHBondContact CA-O 3.3Å; L13-I87 HydrophobicContact CD1-CD1 4.02Å; L13-I87 HydrophobicContact CD1-CG1 4.23Å; L13-I87 HydrophobicContact CD2-CB 4.45Å; L13-I87 HydrophobicContact CD2-CD1 4.22Å; L13-I87 HydrophobicContact CD2-CG1 4.19Å; L13-F161 HydrophobicContact CD1-CD1 4.12Å; L13-F161 HydrophobicContact CD1-CE1 3.8Å; L13-L164 HydrophobicContact CD1-CD1 3.53Å; L13-L164 HydrophobicContact CG-CD1 4.42Å
14V97.2Very high85.5Confident0 Ų046.4 Ų46.40%027%0.27CS..EExtended strand (participates in β ladder)trans-95.9125.3172-64.70000110.5W64 Y80 A83 C85 A86 I87 L108V14-W64 HydrophobicContact CG1-CB 4.22Å; V14-Y80 HydrophobicContact CB-CD1 4.42Å; V14-Y80 HydrophobicContact CG1-CD1 4.4Å; V14-Y80 HydrophobicContact CG2-CD1 4.37Å; V14-A83 HydrophobicContact CB-CB 4.43Å; V14-A83 HydrophobicContact CG1-CB 3.74Å; V14-A83 HydrophobicContact CG2-CB 3.82Å; V14-C85 PolarHBondContact N-O 3.14Å; V14-A86 HydrophobicContact CG2-CB 3.53Å; V14-A86 VanDerWaalsContact O-CA 3.23Å; V14-A86 WeakPolarHBondContact O-CA 3.26Å; V14-A86 WeakPolarHBondContact O-CB 3.44Å; V14-I87 PolarHBondContact O-N 3.39Å; V14-L108 HydrophobicContact CG2-CD1 3.46Å; V14-L108 VanDerWaalsContact CG2-CD1 3.46Å
15L97.4Very high88.3Confident1 Ų138.1 Ų38.11%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-105.8111.6178.5177.561.8000109.1L13 K23 F26 V27 V63 W64 T66 I87 M89L13-L15 HydrophobicContact CD2-CB 4.18Å; L15-K23 HydrophobicContact CD1-CD 4.46Å; L15-K23 HydrophobicContact CD1-CG 4.16Å; L15-K23 HydrophobicContact CD2-CB 3.62Å; L15-K23 HydrophobicContact CD2-CG 4.15Å; L15-K23 HydrophobicContact CG-CB 3.87Å; L15-K23 HydrophobicContact CG-CD 3.99Å; L15-K23 HydrophobicContact CG-CG 3.87Å; L15-F26 HydrophobicContact CD2-CD1 4.37Å; L15-V27 HydrophobicContact CD2-CG2 3.29Å; L15-V63 HydrophobicContact CB-CG1 4.05Å; L15-V63 HydrophobicContact CD2-CG1 4.4Å; L15-W64 PolarHBondContact N-O 2.8Å; L15-T66 PolarHBondContact O-N 2.82Å; L15-T66 PolarHBondContact O-OG1 3.42Å; L15-I87 WeakPolarHBondContact CA-O 3.3Å; L15-I87 HydrophobicContact CD1-CB 3.68Å; L15-I87 HydrophobicContact CD1-CG2 3.59Å; L15-M89 HydrophobicContact CD1-CB 4.39Å; L15-M89 HydrophobicContact CD1-CE 4.21Å
16V96Very high90.5Very high0 Ų034.8 Ų34.80%020%0.198CC..EExtended strand (participates in β ladder)trans-126.6166.4-171.9-58.30000111.9T66 Y80 I87 I88 M89 W104V16-T66 HydrophobicContact CG1-CG2 4.43Å; V16-Y80 HydrophobicContact CG1-CD1 4.48Å; V16-Y80 HydrophobicContact CG1-CE1 3.49Å; V16-Y80 VanDerWaalsContact CG1-CE1 3.49Å; V16-I87 PolarHBondContact N-O 3.4Å; V16-I88 HydrophobicContact CG2-CB 4.19Å; V16-I88 HydrophobicContact CG2-CG1 3.68Å; V16-I88 HydrophobicContact CG2-CG2 4.26Å; V16-I88 WeakPolarHBondContact O-CA 3.46Å; V16-M89 PolarHBondContact O-N 2.99Å; V16-W104 HydrophobicContact CB-CD2 4.4Å; V16-W104 HydrophobicContact CB-CE3 3.78Å; V16-W104 HydrophobicContact CB-CZ3 4.17Å; V16-W104 HydrophobicContact CG1-CE3 4.43Å; V16-W104 HydrophobicContact CG2-CB 4.32Å; V16-W104 HydrophobicContact CG2-CE3 4.4Å
17G96.4Very high92.6Very high1 Ų126.4 Ų26.41%0.0116%0.159CC..  trans133.6167.8-17700000111.6K23 G68 M89 W104G17-K23 WeakPolarHBondContact O-CE 3.43Å; G17-K23 PolarHBondContact O-NZ 2.92Å; G17-G68 WeakPolarHBondContact O-CA 3.46Å; G17-M89 WeakPolarHBondContact CA-O 3.29Å; G17-W104 VanDerWaalsContact C-CE2 3.42Å; G17-W104 VanDerWaalsContact C-CZ2 3.42Å; G17-W104 VanDerWaalsContact O-CZ2 3.29Å; G17-W104 WeakPolarHBondContact O-CZ2 3.41Å
18D95.1Very high94.4Very high22 Ų2223.7 Ų23.712%0.11814%0.135CC..  trans-56.4159.7-174.8-76.812.9000113.5T21 K23 T97 N100 W104D18-T21 HydrophobicContact CB-CG2 3.88Å; D18-T21 VanDerWaalsContact O-CG2 3.31Å; D18-T21 WeakPolarHBondContact O-CG2 3.44Å; D18-T21 PolarHBondContact O-OG1 3.2Å; D18-K23 PolarHBondContact O-NZ 2.91Å; D18-T97 HydrophobicContact CB-CG2 3.84Å; D18-T97 WeakPolarHBondContact OD2-CA 3.26Å; D18-N100 WeakPolarHBondContact OD1-CB 3.49Å; D18-N100 PolarHBondContact OD2-ND2 3.02Å; D18-W104 PolarHBondContact OD1-NE1 3.06Å
19G93.4Very high95.1Very high23 Ų2320.3 Ų20.324%0.23712%0.119CC..THydrogen-bonded Turntrans-57.8143.5169.600000111.8T21 G68G19-T21 PolarHBondContact O-N 2.87Å; G19-G68 PolarHBondContact N-O 3.49Å
20G93.5Very high94.8Very high27 Ų2717.8 Ų17.828%0.27810%0.102SC..THydrogen-bonded Turntrans75.50.6176.700000115.9G22 K123G20-G22 PolarHBondContact O-N 3.34Å; G20-K123 WeakPolarHBondContact O-CE 3.43Å; G20-K123 PolarHBondContact O-NZ 2.9Å
21T96.5Very high94.2Very high0 Ų016.7 Ų16.70%010%0.099CC..SBendtrans-68.1-18.7176.257.20000113.5D18 G19 D91 T97 N122D18-T21 HydrophobicContact CB-CG2 3.88Å; D18-T21 VanDerWaalsContact O-CG2 3.31Å; D18-T21 WeakPolarHBondContact O-CG2 3.44Å; D18-T21 PolarHBondContact O-OG1 3.2Å; G19-T21 PolarHBondContact O-N 2.87Å; T21-D91 HydrophobicContact CG2-CB 4.35Å; T21-T97 HydrophobicContact CG2-CG2 3.88Å; T21-N122 PolarHBondContact O-ND2 3.39Å
22G95.5Very high93.4Very high13 Ų1319.4 Ų19.413%0.13412%0.118CC..SBendtrans103.716.6176.600000115.2G20 T25 F26G20-G22 PolarHBondContact O-N 3.34Å; G22-T25 PolarHBondContact O-N 3.03Å; G22-F26 WeakPolarHBondContact O-CB 3.22Å; G22-F26 PolarHBondContact O-N 3.45Å
23K95.9Very high92.5Very high9 Ų918.2 Ų18.24%0.03911%0.113CC..Hα-helixtrans-50.8-57.5178.6-63.9-175.3-53.7-71.50113.1L15 G17 D18 T25 F26 V27 D65 T66 M89L15-K23 HydrophobicContact CD1-CD 4.46Å; L15-K23 HydrophobicContact CD1-CG 4.16Å; L15-K23 HydrophobicContact CD2-CB 3.62Å; L15-K23 HydrophobicContact CD2-CG 4.15Å; L15-K23 HydrophobicContact CG-CB 3.87Å; L15-K23 HydrophobicContact CG-CD 3.99Å; L15-K23 HydrophobicContact CG-CG 3.87Å; G17-K23 WeakPolarHBondContact O-CE 3.43Å; G17-K23 PolarHBondContact O-NZ 2.92Å; D18-K23 PolarHBondContact O-NZ 2.91Å; K23-T25 VanDerWaalsContact C-N 3.33Å; K23-T25 PolarHBondContact O-N 3.38Å; K23-F26 WeakPolarHBondContact O-CB 3.39Å; K23-F26 PolarHBondContact O-N 2.97Å; K23-F26 VanDerWaalsContact O-N 3.09Å; K23-V27 WeakPolarHBondContact O-CG2 3.1Å; K23-V27 PolarHBondContact O-N 2.92Å; K23-D65 VanDerWaalsContact CB-OD1 3.28Å; K23-D65 WeakPolarHBondContact CB-OD1 3.47Å; K23-T66 WeakPolarHBondContact CE-O 3.39Å; K23-M89 HydrophobicContact CG-CB 4.08Å; K23-M89 HydrophobicContact CG-SD 4.16Å
24T93.8Very high91.5Very high25 Ų2524.7 Ų24.715%0.15314%0.143CC..Hα-helixtrans-58.9-43.7179-46.70000112.1F26 V27 K28 T42 D65T24-F26 VanDerWaalsContact C-N 3.32Å; T24-F26 PolarHBondContact O-N 3.01Å; T24-V27 PolarHBondContact O-N 3.33Å; T24-K28 HydrophobicContact CG2-CD 4.15Å; T24-K28 HydrophobicContact CG2-CG 4.24Å; T24-K28 WeakPolarHBondContact O-CB 3.36Å; T24-K28 WeakPolarHBondContact O-CG 3.48Å; T24-K28 PolarHBondContact O-N 3.1Å; T24-T42 PolarHBondContact OG1-OG1 3.05Å; T24-D65 VanDerWaalsContact CA-OD2 3.26Å; T24-D65 WeakPolarHBondContact CA-OD2 3.36Å; T24-D65 VanDerWaalsContact CB-OD2 3.25Å; T24-D65 WeakPolarHBondContact CB-OD2 3.32Å; T24-D65 PolarHBondContact OG1-OD2 2.97Å
25T93.7Very high90.7Very high23 Ų2326.9 Ų26.914%0.14115%0.153CC..Hα-helixtrans-61.5-40.9176.2-50.50000111.7G22 K23 R29 F35 E36 A151G22-T25 PolarHBondContact O-N 3.03Å; K23-T25 VanDerWaalsContact C-N 3.33Å; K23-T25 PolarHBondContact O-N 3.38Å; T25-R29 WeakPolarHBondContact O-CB 3.29Å; T25-R29 PolarHBondContact O-N 2.68Å; T25-F35 HydrophobicContact CG2-CD2 3.43Å; T25-F35 VanDerWaalsContact CG2-CD2 3.43Å; T25-F35 HydrophobicContact CG2-CE2 3.34Å; T25-F35 HydrophobicContact CG2-CG 4.33Å; T25-F35 HydrophobicContact CG2-CZ 4.16Å; T25-E36 HydrophobicContact CG2-CB 4.39Å; T25-A151 HydrophobicContact CG2-CB 4.26Å
26F94.8Very high89.9Confident1 Ų130 Ų300%0.00417%0.167CC..Hα-helixtrans-64.2-39.5176.8176.3-97000112.4L15 G22 K23 T24 H30 I87 M89 I149 A151 F157 P160 F161L15-F26 HydrophobicContact CD2-CD1 4.37Å; G22-F26 WeakPolarHBondContact O-CB 3.22Å; G22-F26 PolarHBondContact O-N 3.45Å; K23-F26 WeakPolarHBondContact O-CB 3.39Å; K23-F26 PolarHBondContact O-N 2.97Å; K23-F26 VanDerWaalsContact O-N 3.09Å; T24-F26 VanDerWaalsContact C-N 3.32Å; T24-F26 PolarHBondContact O-N 3.01Å; F26-H30 AromaticContact CE2-CE1 3.72Å; F26-H30 AromaticContact CZ-CE1 3.59Å; F26-H30 PolarHBondContact O-ND1 3.05Å; F26-I87 HydrophobicContact CE1-CD1 4.12Å; F26-M89 HydrophobicContact CB-CE 3.72Å; F26-M89 HydrophobicContact CD1-CE 3.92Å; F26-M89 HydrophobicContact CD2-CE 4.1Å; F26-M89 HydrophobicContact CG-CE 3.66Å; F26-I149 HydrophobicContact CD2-CD1 3.67Å; F26-I149 HydrophobicContact CE2-CD1 3.67Å; F26-I149 HydrophobicContact CZ-CD1 4.48Å; F26-A151 HydrophobicContact CB-CB 4.22Å; F26-F157 HydrophobicContact CB-CE2 4.46Å; F26-F157 AromaticContact CD2-CD2 3.58Å; F26-F157 HydrophobicContact CD2-CD2 3.58Å; F26-F157 AromaticContact CD2-CE2 3.26Å; F26-F157 HydrophobicContact CD2-CE2 3.26Å; F26-F157 HydrophobicContact CD2-CZ 4.26Å; F26-F157 AromaticContact CE2-CD2 3.5Å; F26-F157 HydrophobicContact CE2-CD2 3.5Å; F26-F157 AromaticContact CE2-CE2 3.62Å; F26-F157 HydrophobicContact CE2-CE2 3.62Å; F26-F157 HydrophobicContact CE2-CG 4.36Å; F26-F157 HydrophobicContact CG-CE2 4.01Å; F26-F157 WeakPolarHBondContact O-CZ 3.08Å; F26-P160 HydrophobicContact CZ-CG 4.41Å; F26-F161 AromaticContact CE1-CE2 3.47Å; F26-F161 HydrophobicContact CE1-CE2 3.47Å; F26-F161 VanDerWaalsContact CE1-CE2 3.47Å; F26-F161 AromaticContact CE1-CZ 3.77Å; F26-F161 HydrophobicContact CE1-CZ 3.77Å; F26-F161 HydrophobicContact CZ-CD2 4.26Å; F26-F161 AromaticContact CZ-CE2 3.48Å; F26-F161 HydrophobicContact CZ-CE2 3.48Å; F26-F161 VanDerWaalsContact CZ-CE2 3.48Å; F26-F161 HydrophobicContact CZ-CZ 4.25Å
27V93.4Very high89.3Confident0 Ų036.8 Ų36.80%020%0.197CC..Hα-helixtrans-73.5-52.6177.8177.60000111.6L15 K23 T24 R29 H30 L31 H48 V63 D65L15-V27 HydrophobicContact CD2-CG2 3.29Å; K23-V27 WeakPolarHBondContact O-CG2 3.1Å; K23-V27 PolarHBondContact O-N 2.92Å; T24-V27 PolarHBondContact O-N 3.33Å; V27-R29 PolarHBondContact O-N 3.07Å; V27-H30 WeakPolarHBondContact O-CB 3.36Å; V27-H30 PolarHBondContact O-N 2.97Å; V27-L31 PolarHBondContact O-N 3.07Å; V27-L31 VanDerWaalsContact O-N 3.11Å; V27-H48 HydrophobicContact CG1-CB 3.42Å; V27-H48 VanDerWaalsContact CG1-CB 3.42Å; V27-H48 VanDerWaalsContact CG1-CG 3.46Å; V27-V63 HydrophobicContact CG1-CB 4.45Å; V27-V63 HydrophobicContact CG1-CG1 4.34Å; V27-V63 HydrophobicContact CG2-CG1 3.61Å; V27-D65 HydrophobicContact CG2-CB 4.43Å
28K90.1Very high88.8Confident65 Ų6544.5 Ų44.528%0.28323%0.23SC..Hα-helixtrans-55.4-39.6179.8-76.2-170.2178.9-168.50111.6T24 H30 L31 T32 E36T24-K28 HydrophobicContact CG2-CD 4.15Å; T24-K28 HydrophobicContact CG2-CG 4.24Å; T24-K28 WeakPolarHBondContact O-CB 3.36Å; T24-K28 WeakPolarHBondContact O-CG 3.48Å; T24-K28 PolarHBondContact O-N 3.1Å; K28-H30 VanDerWaalsContact C-N 3.32Å; K28-H30 PolarHBondContact O-N 2.88Å; K28-L31 WeakPolarHBondContact O-CB 3.4Å; K28-L31 PolarHBondContact O-N 2.96Å; K28-T32 PolarHBondContact O-N 3.37Å; K28-T32 PolarHBondContact O-OG1 3.47Å; K28-E36 HydrophobicContact CD-CB 4.45Å; K28-E36 IonicContact NZ-OE2 2.8Å; K28-E36 PolarHBondContact NZ-OE2 3.44Å
29R89.3Confident88.3Confident1 Ų150 Ų500%0.00425%0.25CS..Hα-helixtrans-68.1-29.3179.7-176.2169.8-166.9139.220.1113.5T25 V27 L31 G33 E34 F35 A151 K152 N154 F157 L182 P184 P185T25-R29 WeakPolarHBondContact O-CB 3.29Å; T25-R29 PolarHBondContact O-N 2.68Å; V27-R29 PolarHBondContact O-N 3.07Å; R29-L31 VanDerWaalsContact C-N 3.34Å; R29-G33 WeakPolarHBondContact O-CA 3.28Å; R29-G33 PolarHBondContact O-N 3.1Å; R29-G33 VanDerWaalsContact O-N 3.1Å; R29-E34 WeakPolarHBondContact CA-O 3.4Å; R29-E34 WeakPolarHBondContact CB-O 3.35Å; R29-F35 VanDerWaalsContact NH1-CD2 3.35Å; R29-A151 WeakPolarHBondContact CD-O 3.43Å; R29-A151 PolarHBondContact NE-O 3.46Å; R29-A151 PolarHBondContact NH1-O 3.03Å; R29-K152 VanDerWaalsContact NH1-CA 3.34Å; R29-K152 PolarHBondContact NH1-O 3.36Å; R29-N154 WeakPolarHBondContact CD-OD1 3.35Å; R29-N154 PolarHBondContact NE-OD1 3.16Å; R29-N154 PolarHBondContact NH2-ND2 3.39Å; R29-F157 HydrophobicContact CB-CE1 4.3Å; R29-F157 HydrophobicContact CB-CE2 4.39Å; R29-F157 HydrophobicContact CB-CZ 3.59Å; R29-F157 HydrophobicContact CG-CE1 4Å; R29-F157 HydrophobicContact CG-CE2 4.42Å; R29-F157 HydrophobicContact CG-CZ 3.65Å; R29-L182 WeakPolarHBondContact O-CD2 3.34Å; R29-P184 PolarHBondContact NH2-O 2.72Å; R29-P184 VanDerWaalsContact NH2-O 3.07Å; R29-P185 VanDerWaalsContact NH2-CA 3.3Å
30H87.4Confident87.9Confident14 Ų1454.1 Ų54.17%0.06527%0.271CS..Hα-helixtrans-71.4-31167.6-79.392.4000112.8F26 V27 K28 L50 F52 F157 F161F26-H30 AromaticContact CE2-CE1 3.72Å; F26-H30 AromaticContact CZ-CE1 3.59Å; F26-H30 PolarHBondContact O-ND1 3.05Å; V27-H30 WeakPolarHBondContact O-CB 3.36Å; V27-H30 PolarHBondContact O-N 2.97Å; K28-H30 VanDerWaalsContact C-N 3.32Å; K28-H30 PolarHBondContact O-N 2.88Å; H30-L50 HydrophobicContact CB-CD1 3.56Å; H30-L50 HydrophobicContact CB-CD2 3.73Å; H30-L50 HydrophobicContact CB-CG 4.27Å; H30-F52 AromaticContact CD2-CE1 3.93Å; H30-F52 AromaticContact CD2-CZ 3.67Å; H30-F157 HydrophobicContact CB-CE1 4.15Å; H30-F157 HydrophobicContact CB-CZ 4.43Å; H30-F157 AromaticContact CD2-CD1 3.74Å; H30-F157 AromaticContact CD2-CE1 3.5Å; H30-F157 VanDerWaalsContact CD2-CE1 3.5Å; H30-F157 WeakPolarHBondContact CD2-CE1 3.45Å; H30-F157 AromaticContact CE1-CD1 3.12Å; H30-F157 WeakPolarHBondContact CE1-CD1 2.9Å; H30-F157 AromaticContact CE1-CD2 3.61Å; H30-F157 AromaticContact CE1-CE1 2.98Å; H30-F157 WeakPolarHBondContact CE1-CE1 3.37Å; H30-F157 AromaticContact CE1-CE2 3.46Å; H30-F157 VanDerWaalsContact CE1-CE2 3.46Å; H30-F157 WeakPolarHBondContact CE1-CE2 3.4Å; H30-F157 AromaticContact CE1-CG 3.43Å; H30-F157 VanDerWaalsContact CE1-CG 3.43Å; H30-F157 WeakPolarHBondContact CE1-CG 3.36Å; H30-F157 AromaticContact CE1-CZ 3.14Å; H30-F157 WeakPolarHBondContact CE1-CZ 3.38Å; H30-F157 PolarHBondContact CE1-O 3Å; H30-F157 AromaticContact CG-CE1 3.3Å; H30-F157 AromaticContact CG-CZ 3.67Å; H30-F157 AromaticContact ND1-CD1 3.7Å; H30-F157 AromaticContact ND1-CE1 3.02Å; H30-F157 WeakPolarHBondContact ND1-CE1 3.46Å; H30-F157 AromaticContact ND1-CE2 3.63Å; H30-F157 AromaticContact ND1-CZ 2.95Å; H30-F157 WeakPolarHBondContact ND1-CZ 3.47Å; H30-F157 AromaticContact NE2-CD1 3.17Å; H30-F157 WeakPolarHBondContact NE2-CD1 3.15Å; H30-F157 AromaticContact NE2-CE1 3.32Å; H30-F157 VanDerWaalsContact NE2-CE1 3.32Å; H30-F157 WeakPolarHBondContact NE2-CE1 3.43Å; H30-F157 AromaticContact NE2-CG 3.74Å; H30-F157 AromaticContact NE2-CZ 3.96Å; H30-F157 PolarHBondContact NE2-O 3.2Å; H30-F161 AromaticContact CD2-CE2 3.99Å; H30-F161 AromaticContact CE1-CD2 3.92Å; H30-F161 AromaticContact CE1-CE2 3.3Å; H30-F161 WeakPolarHBondContact CE1-CE2 3.4Å; H30-F161 AromaticContact ND1-CE2 3.76Å; H30-F161 AromaticContact NE2-CD2 3.62Å; H30-F161 AromaticContact NE2-CE2 3.42Å; H30-F161 WeakPolarHBondContact NE2-CE2 3.34Å
31L84.9Confident87.6Confident79 Ų7954.3 Ų54.341%0.41427%0.27SS..Hα-helixtrans-81.7-49.5-174.2-175.565.8000112.8V27 K28 R29 H48 L50V27-L31 PolarHBondContact O-N 3.07Å; V27-L31 VanDerWaalsContact O-N 3.11Å; K28-L31 WeakPolarHBondContact O-CB 3.4Å; K28-L31 PolarHBondContact O-N 2.96Å; R29-L31 VanDerWaalsContact C-N 3.34Å; L31-H48 WeakPolarHBondContact CD2-ND1 3.27Å; L31-L50 HydrophobicContact CB-CD2 3.97Å; L31-L50 HydrophobicContact CD1-CD2 4.18Å
32T81.5Confident86.9Confident78 Ų7855 Ų5548%0.47927%0.273SS..Hα-helixtrans-114.6-8.8-172.966.20000113K28 E34K28-T32 PolarHBondContact O-N 3.37Å; K28-T32 PolarHBondContact O-OG1 3.47Å; T32-E34 PolarHBondContact O-N 3.37Å; T32-E34 WeakPolarHBondContact OG1-CB 3.36Å; T32-E34 PolarHBondContact OG1-N 3.3Å
33G78.6Confident86.3Confident1 Ų160.5 Ų60.51%0.0130%0.3CS..SBendtrans77.8-17-169.800000113.9R29 A183R29-G33 WeakPolarHBondContact O-CA 3.28Å; R29-G33 PolarHBondContact O-N 3.1Å; R29-G33 VanDerWaalsContact O-N 3.1Å; G33-A183 WeakPolarHBondContact O-CB 3.21Å; G33-A183 PolarHBondContact O-N 3.06Å
34E77.8Confident85.8Confident135 Ų13560.7 Ų60.763%0.63130%0.304SS*.  trans-76.8145.7-172.3-61.9-178.5166.100112.9R29 T32R29-E34 WeakPolarHBondContact CA-O 3.4Å; R29-E34 WeakPolarHBondContact CB-O 3.35Å; T32-E34 PolarHBondContact O-N 3.37Å; T32-E34 WeakPolarHBondContact OG1-CB 3.36Å; T32-E34 PolarHBondContact OG1-N 3.3Å
35F80.2Confident85.6Confident46 Ų4661.3 Ų61.320%0.20231%0.308CS..  trans-96.5113.9172.4-177.4-101.1000111.1T25 R29 K37 A151 K152 E186T25-F35 HydrophobicContact CG2-CD2 3.43Å; T25-F35 VanDerWaalsContact CG2-CD2 3.43Å; T25-F35 HydrophobicContact CG2-CE2 3.34Å; T25-F35 HydrophobicContact CG2-CG 4.33Å; T25-F35 HydrophobicContact CG2-CZ 4.16Å; R29-F35 VanDerWaalsContact NH1-CD2 3.35Å; F35-K37 HydrophobicContact CD1-CG 3.76Å; F35-K37 HydrophobicContact CE1-CG 4.02Å; F35-K37 PolarHBondContact O-N 2.94Å; F35-A151 WeakPolarHBondContact CD2-O 3.39Å; F35-K152 HydrophobicContact CD2-CB 4.37Å; F35-K152 HydrophobicContact CD2-CG 4.27Å; F35-K152 HydrophobicContact CE1-CD 4.46Å; F35-K152 HydrophobicContact CE1-CG 4.04Å; F35-K152 HydrophobicContact CE2-CB 3.68Å; F35-K152 HydrophobicContact CE2-CG 3.72Å; F35-K152 HydrophobicContact CZ-CB 3.96Å; F35-K152 HydrophobicContact CZ-CD 4.12Å; F35-K152 HydrophobicContact CZ-CG 3.6Å; F35-E186 HydrophobicContact CB-CG 3.63Å; F35-E186 HydrophobicContact CD1-CB 4.43Å; F35-E186 HydrophobicContact CD1-CG 3.81Å; F35-E186 HydrophobicContact CG-CG 3.86Å
36E80.8Confident85.5Confident66 Ų6664.1 Ų64.131%0.30832%0.319SS..  trans-71.6107.1174.3-175.168.6-105.600110.8T25 K28 K38T25-E36 HydrophobicContact CG2-CB 4.39Å; K28-E36 HydrophobicContact CD-CB 4.45Å; K28-E36 IonicContact NZ-OE2 2.8Å; K28-E36 PolarHBondContact NZ-OE2 3.44Å; E36-K38 WeakPolarHBondContact CG-O 3.44Å
37K82.2Confident85.5Confident143 Ų14367.5 Ų67.562%0.62234%0.34SS*.  trans-79.3-30.7-179.9-67.3179.8-178.8178.20113F35 E186F35-K37 HydrophobicContact CD1-CG 3.76Å; F35-K37 HydrophobicContact CE1-CG 4.02Å; F35-K37 PolarHBondContact O-N 2.94Å; K37-E186 WeakPolarHBondContact CE-OE1 3.28Å; K37-E186 WeakPolarHBondContact CE-OE2 3.25Å; K37-E186 VanDerWaalsContact NZ-CD 3.29Å; K37-E186 IonicContact NZ-OE1 3.04Å; K37-E186 PolarHBondContact NZ-OE1 3.45Å; K37-E186 IonicContact NZ-OE2 2.79Å; K37-E186 PolarHBondContact NZ-OE2 2.91Å
38K85.6Confident85.5Confident164 Ų16468.6 Ų68.671%0.71335%0.345SS*.SBendtrans-94.5127.3-176.4-67.4-175.1-178.8177.60109.6E36 V40E36-K38 WeakPolarHBondContact CG-O 3.44Å; K38-V40 PolarHBondContact O-N 3.4Å
39Y84.9Confident85.7Confident136 Ų13668.7 Ų68.753%0.53335%0.352SS..  trans-75.8111.7171.9177.4-110.7000110.1A41 Q69Y39-A41 HydrophobicContact CE1-CB 4.16Å; Y39-Q69 PolarHBondContact OH-NE2 3.03Å
40V85.2Confident85.9Confident111 Ų11168.9 Ų68.967%0.67335%0.353SS*.  trans-114.4121.3165-1770000106.6K38 T42K38-V40 PolarHBondContact O-N 3.4Å; V40-T42 PolarHBondContact O-N 3.35Å
41A86.6Confident86.1Confident31 Ų3170.9 Ų70.926%0.25637%0.366SS..  trans-68.8126.9-178.600000110.4Y39 L43 Q69Y39-A41 HydrophobicContact CE1-CB 4.16Å; A41-L43 PolarHBondContact O-N 3.12Å; A41-Q69 HydrophobicContact CB-CG 4.43Å
42T82.1Confident86.5Confident13 Ų1367.3 Ų67.38%0.0835%0.347CS..  trans-56.3133.7171.7-40.30000110.3T24 V40 E46 D65 A67T24-T42 PolarHBondContact OG1-OG1 3.05Å; V40-T42 PolarHBondContact O-N 3.35Å; T42-E46 HydrophobicContact CG2-CG 4.18Å; T42-D65 PolarHBondContact OG1-OD2 3.08Å; T42-A67 WeakPolarHBondContact O-CB 3.32Å
43L84.1Confident87.1Confident130 Ų13068.2 Ų68.268%0.68135%0.346SS*.  trans-100.2112.3174-60.3178.5000108.4A41 V45 F72A41-L43 PolarHBondContact O-N 3.12Å; L43-V45 PolarHBondContact O-N 3.5Å; L43-V45 VanDerWaalsContact O-N 3.16Å; L43-F72 HydrophobicContact CD2-CE1 4.35Å; L43-F72 HydrophobicContact CD2-CE2 3.98Å; L43-F72 HydrophobicContact CD2-CZ 3.5Å; L43-F72 VanDerWaalsContact CD2-CZ 3.5Å
44G84.8Confident87.9Confident12 Ų1268.6 Ų68.612%0.12435%0.348CS..SBendtrans70.2-106.6-177.100000112.7A67 Y79G44-A67 WeakPolarHBondContact O-CB 3.32Å; G44-A67 PolarHBondContact O-N 3.27Å; G44-Y79 VanDerWaalsContact CA-OH 3.26Å; G44-Y79 WeakPolarHBondContact CA-OH 3.04Å
45V89.9Confident88.7Confident39 Ų3964.8 Ų64.824%0.23633%0.332CS..EExtended strand (participates in β ladder)trans-143.3141.6-178.967.20000111.3L43 V47 W64 D65 T66 Y79L43-V45 PolarHBondContact O-N 3.5Å; L43-V45 VanDerWaalsContact O-N 3.16Å; V45-V47 HydrophobicContact CG2-CG2 4.46Å; V45-W64 HydrophobicContact CG1-CE3 4.35Å; V45-W64 HydrophobicContact CG1-CZ3 4.48Å; V45-W64 HydrophobicContact CG2-CB 3.81Å; V45-W64 HydrophobicContact CG2-CD2 4.23Å; V45-W64 HydrophobicContact CG2-CE3 3.83Å; V45-W64 HydrophobicContact CG2-CG 4.29Å; V45-D65 VanDerWaalsContact CA-O 3.31Å; V45-D65 WeakPolarHBondContact CA-O 3.37Å; V45-T66 HydrophobicContact CG2-CG2 4.34Å; V45-Y79 HydrophobicContact CB-CD1 3.9Å; V45-Y79 HydrophobicContact CB-CE1 3.78Å; V45-Y79 HydrophobicContact CB-CE2 4.44Å; V45-Y79 HydrophobicContact CB-CG 4.3Å; V45-Y79 HydrophobicContact CG1-CD1 3.62Å; V45-Y79 HydrophobicContact CG1-CE1 3.3Å; V45-Y79 HydrophobicContact CG1-CG 4.5Å
46E92.2Very high89.4Confident82 Ų8269.6 Ų69.638%0.38335%0.349SS..EExtended strand (participates in β ladder)trans-115.6136.9163.6-66.1-177.7-172.800109.5T42 H48 D65T42-E46 HydrophobicContact CG2-CG 4.18Å; E46-H48 VanDerWaalsContact CB-NE2 3.34Å; E46-H48 WeakPolarHBondContact CB-NE2 3.2Å; E46-H48 IonicContact OE2-CE1 3.6Å; E46-H48 IonicContact OE2-NE2 2.7Å; E46-H48 PolarHBondContact OE2-NE2 3.38Å; E46-D65 PolarHBondContact N-O 3.49Å; E46-D65 PolarHBondContact O-N 2.92Å
47V94.2Very high90Very high72 Ų7267.9 Ų67.944%0.43635%0.349SS..EExtended strand (participates in β ladder)trans-107.8119.8-178.8-1750000110V45 N62 V63 W64V45-V47 HydrophobicContact CG2-CG2 4.46Å; V47-N62 HydrophobicContact CG1-CB 4.34Å; V47-V63 WeakPolarHBondContact CA-O 3.44Å; V47-W64 HydrophobicContact CG2-CD2 3.89Å; V47-W64 HydrophobicContact CG2-CE3 4.48Å; V47-W64 HydrophobicContact CG2-CG 4.06Å; V47-W64 HydrophobicContact CG2-CZ2 4.28Å
48H93.9Very high90.6Very high23 Ų2363.9 Ų63.911%0.10634%0.337CS..EExtended strand (participates in β ladder)trans-119.7116.6-175.4-64.3-84.5000110.4V27 L31 E46 L50 V63V27-H48 HydrophobicContact CG1-CB 3.42Å; V27-H48 VanDerWaalsContact CG1-CB 3.42Å; V27-H48 VanDerWaalsContact CG1-CG 3.46Å; L31-H48 WeakPolarHBondContact CD2-ND1 3.27Å; E46-H48 VanDerWaalsContact CB-NE2 3.34Å; E46-H48 WeakPolarHBondContact CB-NE2 3.2Å; E46-H48 IonicContact OE2-CE1 3.6Å; E46-H48 IonicContact OE2-NE2 2.7Å; E46-H48 PolarHBondContact OE2-NE2 3.38Å; H48-L50 PolarHBondContact O-N 3.04Å; H48-V63 PolarHBondContact N-O 3.06Å; H48-V63 PolarHBondContact O-N 3.34Å
49P93.6Very high91Very high67 Ų6756.4 Ų56.444%0.43531%0.305SS..EExtended strand (participates in β ladder)trans-78.2113.3175.230.4-32.1000110.4K60P49-K60 HydrophobicContact CB-CD 4.07Å; P49-K60 HydrophobicContact CB-CG 4.4Å
50L93.5Very high91.6Very high5 Ų551.8 Ų51.83%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-106.6124.1174.1-59.2-175.3000110.1H30 L31 H48 F52 K60 F61 V63 F161H30-L50 HydrophobicContact CB-CD1 3.56Å; H30-L50 HydrophobicContact CB-CD2 3.73Å; H30-L50 HydrophobicContact CB-CG 4.27Å; L31-L50 HydrophobicContact CB-CD2 3.97Å; L31-L50 HydrophobicContact CD1-CD2 4.18Å; H48-L50 PolarHBondContact O-N 3.04Å; L50-F52 HydrophobicContact CB-CE2 3.81Å; L50-F52 HydrophobicContact CB-CZ 4.48Å; L50-K60 CarbonylContact O-C 3.56Å; L50-K60 VanDerWaalsContact O-CA 3.3Å; L50-K60 WeakPolarHBondContact O-CA 3.36Å; L50-F61 PolarHBondContact N-O 3.4Å; L50-F61 PolarHBondContact O-N 2.93Å; L50-V63 HydrophobicContact CD1-CG2 3.71Å; L50-V63 HydrophobicContact CG-CG2 4.03Å; L50-F161 HydrophobicContact CD1-CE1 3.97Å; L50-F161 HydrophobicContact CD1-CZ 3.67Å
51V92.4Very high92.1Very high56 Ų5646.5 Ų46.534%0.33926%0.255SS..EExtended strand (participates in β ladder)trans-108.1123.9-179.9-1780000110.1P58 I59 K60V51-P58 HydrophobicContact CG1-CB 4.05Å; V51-I59 WeakPolarHBondContact CA-O 3.49Å; V51-K60 HydrophobicContact CG2-CB 4.33Å; V51-K60 HydrophobicContact CG2-CG 4.2Å
52F93.2Very high92.6Very high3 Ų346.8 Ų46.81%0.01325%0.253CS..EExtended strand (participates in β ladder)trans-111.4129.4174.9-63.7-94.3000109.4H30 L50 P58 I59 F61 F161 F176 P180H30-F52 AromaticContact CD2-CE1 3.93Å; H30-F52 AromaticContact CD2-CZ 3.67Å; L50-F52 HydrophobicContact CB-CE2 3.81Å; L50-F52 HydrophobicContact CB-CZ 4.48Å; F52-P58 WeakPolarHBondContact O-CA 3.34Å; F52-I59 PolarHBondContact N-O 2.84Å; F52-I59 PolarHBondContact O-N 3.43Å; F52-F61 AromaticContact CD2-CD2 3.73Å; F52-F61 HydrophobicContact CD2-CD2 3.73Å; F52-F61 HydrophobicContact CD2-CE2 4.15Å; F52-F61 AromaticContact CE2-CD2 3.83Å; F52-F61 HydrophobicContact CE2-CD2 3.83Å; F52-F61 HydrophobicContact CE2-CE2 4.45Å; F52-F161 HydrophobicContact CD2-CB 4.5Å; F52-F161 HydrophobicContact CD2-CD1 4.45Å; F52-F161 HydrophobicContact CE1-CB 3.99Å; F52-F161 HydrophobicContact CE1-CD2 4.17Å; F52-F161 HydrophobicContact CE1-CG 4.05Å; F52-F161 HydrophobicContact CE2-CB 3.99Å; F52-F161 AromaticContact CE2-CD1 3.49Å; F52-F161 HydrophobicContact CE2-CD1 3.49Å; F52-F161 VanDerWaalsContact CE2-CD1 3.49Å; F52-F161 HydrophobicContact CE2-CD2 4.26Å; F52-F161 AromaticContact CE2-CE1 3.94Å; F52-F161 HydrophobicContact CE2-CE1 3.94Å; F52-F161 AromaticContact CE2-CG 3.65Å; F52-F161 HydrophobicContact CE2-CG 3.65Å; F52-F161 HydrophobicContact CZ-CB 3.71Å; F52-F161 AromaticContact CZ-CD1 3.64Å; F52-F161 HydrophobicContact CZ-CD1 3.64Å; F52-F161 AromaticContact CZ-CD2 3.53Å; F52-F161 HydrophobicContact CZ-CD2 3.53Å; F52-F161 HydrophobicContact CZ-CE1 4.08Å; F52-F161 AromaticContact CZ-CE2 3.99Å; F52-F161 HydrophobicContact CZ-CE2 3.99Å; F52-F161 AromaticContact CZ-CG 3.33Å; F52-F161 HydrophobicContact CZ-CG 3.33Å; F52-F161 HydrophobicContact CZ-CZ 4.24Å; F52-F176 HydrophobicContact CB-CD1 4.08Å; F52-F176 HydrophobicContact CB-CE1 3.62Å; F52-F176 HydrophobicContact CB-CE2 4.47Å; F52-F176 HydrophobicContact CB-CZ 3.83Å; F52-F176 HydrophobicContact CD1-CD2 4Å; F52-F176 HydrophobicContact CD1-CE1 4.15Å; F52-F176 AromaticContact CD1-CE2 3.45Å; F52-F176 HydrophobicContact CD1-CE2 3.45Å; F52-F176 VanDerWaalsContact CD1-CE2 3.45Å; F52-F176 AromaticContact CD1-CZ 3.53Å; F52-F176 HydrophobicContact CD1-CZ 3.53Å; F52-F176 AromaticContact CE1-CE2 3.94Å; F52-F176 HydrophobicContact CE1-CE2 3.94Å; F52-F176 HydrophobicContact CE1-CZ 4.23Å; F52-F176 HydrophobicContact CG-CE1 4.07Å; F52-F176 HydrophobicContact CG-CE2 4.15Å; F52-F176 AromaticContact CG-CZ 3.74Å; F52-F176 HydrophobicContact CG-CZ 3.74Å; F52-P180 HydrophobicContact CD1-CG 4.11Å; F52-P180 HydrophobicContact CE1-CG 3.92Å
53H93Very high93.3Very high98 Ų9846.2 Ų46.245%0.45425%0.249SC..EExtended strand (participates in β ladder)trans-90.3121.7177.5-67.285000109.3F176 V177 A178H53-F176 CarbonylContact O-C 3.52Å; H53-F176 WeakPolarHBondContact O-CA 3.26Å; H53-V177 HydrophobicContact CB-CG2 3.95Å; H53-V177 WeakPolarHBondContact O-CG2 3.44Å; H53-V177 PolarHBondContact O-N 2.75Å; H53-A178 HydrophobicContact CB-CB 4.49Å
54T95Very high93.9Very high8 Ų843 Ų435%0.04923%0.228CC..EExtended strand (participates in β ladder)trans-115168.4-176.583.40000111.8R56 G57 I59 L174 E175 F176T54-R56 PolarHBondContact O-N 3.04Å; T54-R56 PolarHBondContact OG1-N 2.94Å; T54-G57 WeakPolarHBondContact CB-O 3.42Å; T54-G57 WeakPolarHBondContact CG2-O 3.34Å; T54-G57 PolarHBondContact N-O 2.87Å; T54-G57 PolarHBondContact O-N 3.07Å; T54-G57 VanDerWaalsContact O-N 3.07Å; T54-G57 PolarHBondContact OG1-N 2.9Å; T54-G57 PolarHBondContact OG1-O 3.06Å; T54-I59 HydrophobicContact CG2-CB 4.47Å; T54-I59 HydrophobicContact CG2-CD1 3.86Å; T54-I59 HydrophobicContact CG2-CG1 4.04Å; T54-L174 HydrophobicContact CG2-CD1 4.36Å; T54-L174 HydrophobicContact CG2-CD2 3.87Å; T54-L174 HydrophobicContact CG2-CG 4.26Å; T54-E175 CarbonylContact C-O 3.48Å; T54-E175 WeakPolarHBondContact CA-O 3.16Å; T54-E175 WeakPolarHBondContact CB-O 3.42Å; T54-F176 HydrophobicContact CG2-CD1 3.92Å; T54-F176 HydrophobicContact CG2-CE1 4.05Å
55N95.7Very high94.4Very high55 Ų5542.4 Ų42.429%0.29422%0.222SC..THydrogen-bonded Turntrans-66.93.8168.865.3-14.4000114.1N173 L174 E175 V177N55-N173 PolarHBondContact ND2-O 2.73Å; N55-L174 WeakPolarHBondContact OD1-CA 2.98Å; N55-E175 PolarHBondContact N-O 2.96Å; N55-E175 PolarHBondContact OD1-N 2.91Å; N55-V177 HydrophobicContact CB-CG1 3.95Å
56R94.8Very high94.4Very high148 Ų14840.8 Ų40.856%0.55821%0.212SC*.THydrogen-bonded Turntrans-122.411.3172.6-57.4-64.8179.8-99.7-6.1112.8T54 D171T54-R56 PolarHBondContact O-N 3.04Å; T54-R56 PolarHBondContact OG1-N 2.94Å; R56-D171 IonicContact CZ-OD2 2.69Å; R56-D171 VanDerWaalsContact CZ-OD2 3.24Å; R56-D171 IonicContact NE-OD2 3.62Å; R56-D171 PolarHBondContact NE-OD2 3.31Å; R56-D171 IonicContact NH2-OD2 2.82Å; R56-D171 PolarHBondContact NH2-OD2 2.9Å
57G93.7Very high94.1Very high30 Ų3037.1 Ų37.131%0.30920%0.196SC..EExtended strand (participates in β ladder)trans101.5-177.4-175.800000113.8T54T54-G57 WeakPolarHBondContact CB-O 3.42Å; T54-G57 WeakPolarHBondContact CG2-O 3.34Å; T54-G57 PolarHBondContact N-O 2.87Å; T54-G57 PolarHBondContact O-N 3.07Å; T54-G57 VanDerWaalsContact O-N 3.07Å; T54-G57 PolarHBondContact OG1-N 2.9Å; T54-G57 PolarHBondContact OG1-O 3.06Å
58P93.9Very high93.4Very high59 Ų5934.1 Ų34.138%0.38318%0.18SC..EExtended strand (participates in β ladder)trans-76.3134.5-175.830.4-33.9000112.2V51 F52V51-P58 HydrophobicContact CG1-CB 4.05Å; F52-P58 WeakPolarHBondContact O-CA 3.34Å
59I95.1Very high92.5Very high6 Ų636 Ų363%0.03119%0.188CC..EExtended strand (participates in β ladder)trans-115.4131.2171.6-63.6179.1000108.8F11 V51 F52 T54 F61 A165 I169 L174F11-I59 HydrophobicContact CD2-CG2 3.75Å; F11-I59 HydrophobicContact CE2-CG2 3.77Å; V51-I59 WeakPolarHBondContact CA-O 3.49Å; F52-I59 PolarHBondContact N-O 2.84Å; F52-I59 PolarHBondContact O-N 3.43Å; T54-I59 HydrophobicContact CG2-CB 4.47Å; T54-I59 HydrophobicContact CG2-CD1 3.86Å; T54-I59 HydrophobicContact CG2-CG1 4.04Å; I59-F61 HydrophobicContact CG2-CD2 4.39Å; I59-F61 HydrophobicContact CG2-CE2 3.95Å; I59-F61 HydrophobicContact CG2-CZ 4.24Å; I59-A165 HydrophobicContact CD1-CB 4.04Å; I59-I169 HydrophobicContact CD1-CD1 3.91Å; I59-I169 HydrophobicContact CD1-CG1 3.63Å; I59-L174 HydrophobicContact CD1-CD1 3.72Å
60K95.5Very high91.2Very high39 Ų3940.4 Ų40.417%0.1720%0.203CC..EExtended strand (participates in β ladder)trans-104.1127175.4-175.2-174.9-661650111Q8 V9 Q10 F11 P49 L50 V51 N62Q8-K60 HydrophobicContact CG-CB 4.34Å; V9-K60 PolarHBondContact O-N 2.97Å; Q10-K60 CarbonylContact C-O 3.59Å; Q10-K60 WeakPolarHBondContact CA-O 3.38Å; Q10-K60 HydrophobicContact CB-CB 4.01Å; Q10-K60 HydrophobicContact CB-CD 4.45Å; F11-K60 PolarHBondContact N-O 3.21Å; P49-K60 HydrophobicContact CB-CD 4.07Å; P49-K60 HydrophobicContact CB-CG 4.4Å; L50-K60 CarbonylContact O-C 3.56Å; L50-K60 VanDerWaalsContact O-CA 3.3Å; L50-K60 WeakPolarHBondContact O-CA 3.36Å; V51-K60 HydrophobicContact CG2-CB 4.33Å; V51-K60 HydrophobicContact CG2-CG 4.2Å; K60-N62 WeakPolarHBondContact CD-OD1 3.48Å
61F97.2Very high89.9Confident0 Ų047.8 Ų47.80%024%0.235CC..EExtended strand (participates in β ladder)trans-99.2116.2162.2-67.6-81.3000108.8F11 L13 L50 F52 I59 V63 F161 L164 A165 L168F11-F61 HydrophobicContact CB-CD1 3.94Å; F11-F61 HydrophobicContact CB-CE1 4.08Å; F11-F61 HydrophobicContact CD2-CE1 4.13Å; F11-F61 HydrophobicContact CD2-CZ 4.5Å; F11-F61 HydrophobicContact CG-CE1 4.46Å; F11-F61 CarbonylContact O-C 3.51Å; F11-F61 WeakPolarHBondContact O-CA 3.34Å; L13-F61 HydrophobicContact CB-CB 4.36Å; L13-F61 HydrophobicContact CB-CD1 4.09Å; L13-F61 HydrophobicContact CD1-CB 4.48Å; L13-F61 HydrophobicContact CD1-CD1 3.86Å; L13-F61 HydrophobicContact CD1-CE1 4.37Å; L13-F61 HydrophobicContact CD1-CG 4.28Å; L50-F61 PolarHBondContact N-O 3.4Å; L50-F61 PolarHBondContact O-N 2.93Å; F52-F61 AromaticContact CD2-CD2 3.73Å; F52-F61 HydrophobicContact CD2-CD2 3.73Å; F52-F61 HydrophobicContact CD2-CE2 4.15Å; F52-F61 AromaticContact CE2-CD2 3.83Å; F52-F61 HydrophobicContact CE2-CD2 3.83Å; F52-F61 HydrophobicContact CE2-CE2 4.45Å; I59-F61 HydrophobicContact CG2-CD2 4.39Å; I59-F61 HydrophobicContact CG2-CE2 3.95Å; I59-F61 HydrophobicContact CG2-CZ 4.24Å; F61-V63 HydrophobicContact CB-CG2 3.99Å; F61-V63 PolarHBondContact O-N 3.2Å; F61-F161 HydrophobicContact CB-CD1 4.44Å; F61-F161 HydrophobicContact CB-CE1 4.29Å; F61-F161 AromaticContact CD2-CD1 3.65Å; F61-F161 HydrophobicContact CD2-CD1 3.65Å; F61-F161 HydrophobicContact CD2-CE1 4.32Å; F61-F161 HydrophobicContact CE2-CB 4.3Å; F61-F161 HydrophobicContact CE2-CD1 4Å; F61-F161 HydrophobicContact CG-CD1 4.01Å; F61-F161 HydrophobicContact CG-CE1 4.32Å; F61-L164 HydrophobicContact CE1-CB 4.21Å; F61-L164 HydrophobicContact CZ-CB 4.13Å; F61-A165 HydrophobicContact CE2-CB 4.42Å; F61-A165 HydrophobicContact CZ-CB 4.13Å; F61-L168 HydrophobicContact CE1-CD1 3.71Å; F61-L168 HydrophobicContact CZ-CD1 4.28Å
62N97.1Very high88.4Confident37 Ų3747.9 Ų47.920%0.19823%0.231CC..EExtended strand (participates in β ladder)trans-80.296.3164.9-65.9-52.8000106.4Q10 F11 L13 V47 K60Q10-N62 PolarHBondContact OE1-ND2 3.01Å; F11-N62 PolarHBondContact O-N 2.86Å; L13-N62 PolarHBondContact N-O 3.27Å; V47-N62 HydrophobicContact CG1-CB 4.34Å; K60-N62 WeakPolarHBondContact CD-OD1 3.48Å
63V97.2Very high86.8Confident1 Ų149 Ų491%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-84.9115.8-175.5-1780000109.8L13 L15 V27 V47 H48 L50 F61 D65 F161L13-V63 HydrophobicContact CB-CG2 4.31Å; L13-V63 HydrophobicContact CD2-CB 4.48Å; L13-V63 HydrophobicContact CD2-CG1 3.85Å; L13-V63 HydrophobicContact CD2-CG2 4.22Å; L13-V63 CarbonylContact O-C 3.58Å; L13-V63 WeakPolarHBondContact O-CA 3.35Å; L15-V63 HydrophobicContact CB-CG1 4.05Å; L15-V63 HydrophobicContact CD2-CG1 4.4Å; V27-V63 HydrophobicContact CG1-CB 4.45Å; V27-V63 HydrophobicContact CG1-CG1 4.34Å; V27-V63 HydrophobicContact CG2-CG1 3.61Å; V47-V63 WeakPolarHBondContact CA-O 3.44Å; H48-V63 PolarHBondContact N-O 3.06Å; H48-V63 PolarHBondContact O-N 3.34Å; L50-V63 HydrophobicContact CD1-CG2 3.71Å; L50-V63 HydrophobicContact CG-CG2 4.03Å; F61-V63 HydrophobicContact CB-CG2 3.99Å; F61-V63 PolarHBondContact O-N 3.2Å; V63-D65 PolarHBondContact O-N 3.22Å; V63-F161 HydrophobicContact CG2-CE1 4.07Å; V63-F161 HydrophobicContact CG2-CZ 4.44Å
64W96.2Very high85.3Confident63 Ų6348.4 Ų48.424%0.23926%0.264CS..EExtended strand (participates in β ladder)trans-88.694.4173.2-70.751000107.5K12 L13 V14 L15 V45 V47 T66 Y79K12-W64 HydrophobicContact CD-CD2 4.47Å; K12-W64 HydrophobicContact CD-CZ2 4.3Å; K12-W64 HydrophobicContact CG-CG 4.48Å; L13-W64 PolarHBondContact O-N 3.32Å; V14-W64 HydrophobicContact CG1-CB 4.22Å; L15-W64 PolarHBondContact N-O 2.8Å; V45-W64 HydrophobicContact CG1-CE3 4.35Å; V45-W64 HydrophobicContact CG1-CZ3 4.48Å; V45-W64 HydrophobicContact CG2-CB 3.81Å; V45-W64 HydrophobicContact CG2-CD2 4.23Å; V45-W64 HydrophobicContact CG2-CE3 3.83Å; V45-W64 HydrophobicContact CG2-CG 4.29Å; V47-W64 HydrophobicContact CG2-CD2 3.89Å; V47-W64 HydrophobicContact CG2-CE3 4.48Å; V47-W64 HydrophobicContact CG2-CG 4.06Å; V47-W64 HydrophobicContact CG2-CZ2 4.28Å; W64-T66 PolarHBondContact O-N 2.94Å; W64-Y79 HydrophobicContact CE3-CD1 4.2Å; W64-Y79 HydrophobicContact CZ3-CD1 4.04Å
65D94.5Very high83.9Confident0 Ų053.2 Ų53.20%029%0.289CS..EExtended strand (participates in β ladder)trans-74.6107.4172.7-179.132000109K23 T24 V27 T42 V45 E46 V63K23-D65 VanDerWaalsContact CB-OD1 3.28Å; K23-D65 WeakPolarHBondContact CB-OD1 3.47Å; T24-D65 VanDerWaalsContact CA-OD2 3.26Å; T24-D65 WeakPolarHBondContact CA-OD2 3.36Å; T24-D65 VanDerWaalsContact CB-OD2 3.25Å; T24-D65 WeakPolarHBondContact CB-OD2 3.32Å; T24-D65 PolarHBondContact OG1-OD2 2.97Å; V27-D65 HydrophobicContact CG2-CB 4.43Å; T42-D65 PolarHBondContact OG1-OD2 3.08Å; V45-D65 VanDerWaalsContact CA-O 3.31Å; V45-D65 WeakPolarHBondContact CA-O 3.37Å; E46-D65 PolarHBondContact N-O 3.49Å; E46-D65 PolarHBondContact O-N 2.92Å; V63-D65 PolarHBondContact O-N 3.22Å
66T90.8Very high82.8Confident4 Ų452.2 Ų52.23%0.02528%0.281CS..EExtended strand (participates in β ladder)trans-96.3149.6-173.866.10000112.7L15 V16 K23 V45 W64 G68 Y79L15-T66 PolarHBondContact O-N 2.82Å; L15-T66 PolarHBondContact O-OG1 3.42Å; V16-T66 HydrophobicContact CG1-CG2 4.43Å; K23-T66 WeakPolarHBondContact CE-O 3.39Å; V45-T66 HydrophobicContact CG2-CG2 4.34Å; W64-T66 PolarHBondContact O-N 2.94Å; T66-G68 PolarHBondContact O-N 2.98Å; T66-Y79 HydrophobicContact CG2-CD2 4.48Å
67A86.2Confident82.1Confident5 Ų548.3 Ų48.34%0.04127%0.271CS..  trans-63121.9172.300000111.6T42 G44 Q69 F72T42-A67 WeakPolarHBondContact O-CB 3.32Å; G44-A67 WeakPolarHBondContact O-CB 3.32Å; G44-A67 PolarHBondContact O-N 3.27Å; A67-Q69 VanDerWaalsContact C-N 3.31Å; A67-Q69 PolarHBondContact O-N 2.98Å; A67-F72 HydrophobicContact CB-CB 4.11Å; A67-F72 HydrophobicContact CB-CD2 3.72Å; A67-F72 HydrophobicContact CB-CG 4.21Å
68G77.9Confident81.8Confident9 Ų948.9 Ų48.99%0.09328%0.278CS..  trans-84.61.7178.500000115G17 G19 T66G17-G68 WeakPolarHBondContact O-CA 3.46Å; G19-G68 PolarHBondContact N-O 3.49Å; T66-G68 PolarHBondContact O-N 2.98Å
69Q75.9Confident81.7Confident62 Ų6248 Ų4829%0.2927%0.267SS..  trans-87.2137-176.6-59.1-70.8-4000110.2Y39 A41 A67 K71 F72 R76Y39-Q69 PolarHBondContact OH-NE2 3.03Å; A41-Q69 HydrophobicContact CB-CG 4.43Å; A67-Q69 VanDerWaalsContact C-N 3.31Å; A67-Q69 PolarHBondContact O-N 2.98Å; Q69-K71 HydrophobicContact CB-CG 3.93Å; Q69-K71 PolarHBondContact O-N 3.31Å; Q69-F72 HydrophobicContact CB-CD2 3.82Å; Q69-F72 HydrophobicContact CB-CE2 4.14Å; Q69-F72 HydrophobicContact CG-CE2 4.47Å; Q69-F72 PolarHBondContact O-N 3.21Å; Q69-F72 VanDerWaalsContact O-N 3.12Å; Q69-R76 PolarHBondContact O-NH2 3.32Å
70E67.1Low81.6Confident161 Ų16147.7 Ų47.775%0.75227%0.265SS*.G310 helixtrans-60.4-33.4-178.6-63.6-166.7169.800113.1F72 G73E70-F72 PolarHBondContact O-N 3.32Å; E70-G73 PolarHBondContact O-N 3.04Å
71K65.8Low81.5Confident160 Ų16050.2 Ų50.270%0.69628%0.28SS*.G310 helixtrans-57.8-15.7176.563.4-178.3176.9178.50114.7Q69Q69-K71 HydrophobicContact CB-CG 3.93Å; Q69-K71 PolarHBondContact O-N 3.31Å
72F61.4Low81.5Confident57 Ų5757.9 Ų57.925%0.2532%0.315CS..G310 helixtrans-106.411.9175.5-55.5-60.9000113L43 A67 Q69 E70 G74 L75L43-F72 HydrophobicContact CD2-CE1 4.35Å; L43-F72 HydrophobicContact CD2-CE2 3.98Å; L43-F72 HydrophobicContact CD2-CZ 3.5Å; L43-F72 VanDerWaalsContact CD2-CZ 3.5Å; A67-F72 HydrophobicContact CB-CB 4.11Å; A67-F72 HydrophobicContact CB-CD2 3.72Å; A67-F72 HydrophobicContact CB-CG 4.21Å; Q69-F72 HydrophobicContact CB-CD2 3.82Å; Q69-F72 HydrophobicContact CB-CE2 4.14Å; Q69-F72 HydrophobicContact CG-CE2 4.47Å; Q69-F72 PolarHBondContact O-N 3.21Å; Q69-F72 VanDerWaalsContact O-N 3.12Å; E70-F72 PolarHBondContact O-N 3.32Å; F72-G74 VanDerWaalsContact C-N 3.27Å; F72-G74 PolarHBondContact O-N 3.09Å; F72-L75 PolarHBondContact O-N 2.98Å
73G59Low81.5Confident28 Ų2856.4 Ų56.429%0.28931%0.309SS..G310 helixtrans-57.5-32.9-175.200000115E70 L75 R76E70-G73 PolarHBondContact O-N 3.04Å; G73-L75 VanDerWaalsContact C-N 3.26Å; G73-L75 PolarHBondContact O-N 2.79Å; G73-R76 WeakPolarHBondContact O-CB 3.44Å; G73-R76 VanDerWaalsContact O-CG 3.29Å; G73-R76 WeakPolarHBondContact O-CG 3.27Å; G73-R76 PolarHBondContact O-N 3.48Å
74G60.5Low81.5Confident85 Ų8560.3 Ų60.388%0.87633%0.327SS*.G310 helixtrans-65.8-18.9-174.700000115.8F72F72-G74 VanDerWaalsContact C-N 3.27Å; F72-G74 PolarHBondContact O-N 3.09Å
75L66.4Low81.7Confident109 Ų10957.3 Ų57.357%0.57132%0.315SS*.G310 helixtrans-97.8-1.6179.8-66.1174.7000113.7F72 G73 D77 G78 Y79F72-L75 PolarHBondContact O-N 2.98Å; G73-L75 VanDerWaalsContact C-N 3.26Å; G73-L75 PolarHBondContact O-N 2.79Å; L75-D77 PolarHBondContact O-N 3.05Å; L75-G78 PolarHBondContact O-N 3.36Å; L75-Y79 HydrophobicContact CB-CE2 3.81Å; L75-Y79 WeakPolarHBondContact O-CD2 3.23Å
76R73.2Confident81.8Confident33 Ų3357.3 Ų57.313%0.12532%0.315CS..Hα-helixtrans-60.7-42.7-169-73.7178.4-176.9177.55.9113.7Q69 G73 G78 Y79 Y80 W104Q69-R76 PolarHBondContact O-NH2 3.32Å; G73-R76 WeakPolarHBondContact O-CB 3.44Å; G73-R76 VanDerWaalsContact O-CG 3.29Å; G73-R76 WeakPolarHBondContact O-CG 3.27Å; G73-R76 PolarHBondContact O-N 3.48Å; R76-G78 VanDerWaalsContact C-N 3.29Å; R76-G78 PolarHBondContact O-N 3.46Å; R76-Y79 WeakPolarHBondContact O-CB 3.39Å; R76-Y79 PolarHBondContact O-N 2.88Å; R76-Y80 HydrophobicContact CB-CE2 4.01Å; R76-Y80 PolarHBondContact O-N 2.98Å; R76-W104 VanDerWaalsContact CZ-CZ3 3.42Å
77D80Confident82.2Confident66 Ų6657.1 Ų57.135%0.35331%0.314SS..Hα-helixtrans-60.8-40.7-176.2-68.3-15.7000112L75 Y79 Y80 I81 R110 V111L75-D77 PolarHBondContact O-N 3.05Å; D77-Y79 VanDerWaalsContact C-N 3.25Å; D77-Y79 PolarHBondContact O-N 3.48Å; D77-Y80 PolarHBondContact O-N 3Å; D77-I81 PolarHBondContact O-N 3.38Å; D77-R110 IonicContact OD1-CZ 3.91Å; D77-R110 IonicContact OD1-NE 2.86Å; D77-R110 IonicContact OD1-NH2 2.8Å; D77-R110 PolarHBondContact OD1-NH2 2.7Å; D77-R110 IonicContact OD2-CZ 3.18Å; D77-R110 IonicContact OD2-NH2 3.39Å; D77-R110 PolarHBondContact OD2-NH2 2.48Å; D77-V111 HydrophobicContact CB-CG2 4.08Å
78G88Confident82.8Confident43 Ų4356.9 Ų56.944%0.44331%0.312SS..Hα-helixtrans-61.4-33.9177.100000112.9L75 R76 Y80L75-G78 PolarHBondContact O-N 3.36Å; R76-G78 VanDerWaalsContact C-N 3.29Å; R76-G78 PolarHBondContact O-N 3.46Å; G78-Y80 VanDerWaalsContact C-N 3.32Å
79Y90.7Very high83.8Confident39 Ų3956.5 Ų56.515%0.15331%0.308CS..Hα-helixtrans-71.4-28.1175.7-57.4-41.8000112.5K12 G44 V45 W64 T66 L75 R76 D77K12-Y79 WeakPolarHBondContact CE-O 3.42Å; K12-Y79 PolarHBondContact NZ-O 3.02Å; G44-Y79 VanDerWaalsContact CA-OH 3.26Å; G44-Y79 WeakPolarHBondContact CA-OH 3.04Å; V45-Y79 HydrophobicContact CB-CD1 3.9Å; V45-Y79 HydrophobicContact CB-CE1 3.78Å; V45-Y79 HydrophobicContact CB-CE2 4.44Å; V45-Y79 HydrophobicContact CB-CG 4.3Å; V45-Y79 HydrophobicContact CG1-CD1 3.62Å; V45-Y79 HydrophobicContact CG1-CE1 3.3Å; V45-Y79 HydrophobicContact CG1-CG 4.5Å; W64-Y79 HydrophobicContact CE3-CD1 4.2Å; W64-Y79 HydrophobicContact CZ3-CD1 4.04Å; T66-Y79 HydrophobicContact CG2-CD2 4.48Å; L75-Y79 HydrophobicContact CB-CE2 3.81Å; L75-Y79 WeakPolarHBondContact O-CD2 3.23Å; R76-Y79 WeakPolarHBondContact O-CB 3.39Å; R76-Y79 PolarHBondContact O-N 2.88Å; D77-Y79 VanDerWaalsContact C-N 3.25Å; D77-Y79 PolarHBondContact O-N 3.48Å
80Y93.4Very high84.8Confident0 Ų053.5 Ų53.50%029%0.294CS..Hα-helixtrans-79.4-30.1-178.5-57.8-24.5000113.8V14 V16 R76 D77 G78 Q82 A83 D107 L108 V111 C112V14-Y80 HydrophobicContact CB-CD1 4.42Å; V14-Y80 HydrophobicContact CG1-CD1 4.4Å; V14-Y80 HydrophobicContact CG2-CD1 4.37Å; V16-Y80 HydrophobicContact CG1-CD1 4.48Å; V16-Y80 HydrophobicContact CG1-CE1 3.49Å; V16-Y80 VanDerWaalsContact CG1-CE1 3.49Å; R76-Y80 HydrophobicContact CB-CE2 4.01Å; R76-Y80 PolarHBondContact O-N 2.98Å; D77-Y80 PolarHBondContact O-N 3Å; G78-Y80 VanDerWaalsContact C-N 3.32Å; Y80-Q82 PolarHBondContact O-N 3.06Å; Y80-A83 WeakPolarHBondContact O-CB 3.37Å; Y80-A83 PolarHBondContact O-N 3.24Å; Y80-D107 HydrophobicContact CE2-CB 4.16Å; Y80-L108 HydrophobicContact CD1-CD1 3.99Å; Y80-L108 HydrophobicContact CD2-CD1 4.48Å; Y80-L108 HydrophobicContact CE1-CD1 4.44Å; Y80-L108 HydrophobicContact CG-CD1 4.03Å; Y80-V111 HydrophobicContact CD2-CB 4.41Å; Y80-V111 HydrophobicContact CD2-CG2 4.08Å; Y80-C112 PolarHBondContact O-SG 2.85Å
81I93.9Very high86.3Confident93 Ų9346.3 Ų46.348%0.47726%0.261SS..THydrogen-bonded Turntrans-44.6126.7-177-67.5171.2000111.4K12 D77 A83 V111K12-I81 PolarHBondContact NZ-O 3.23Å; D77-I81 PolarHBondContact O-N 3.38Å; I81-A83 PolarHBondContact O-N 2.94Å; I81-V111 HydrophobicContact CG1-CG1 4.04Å
82Q95.6Very high87.9Confident160 Ų16038.7 Ų38.775%0.74823%0.228SC*.THydrogen-bonded Turntrans61.421.2-179.8-60.4170.7-12.900115Y80 Q84Y80-Q82 PolarHBondContact O-N 3.06Å; Q82-Q84 PolarHBondContact O-N 2.79Å
83A97.8Very high89.6Confident7 Ų737.9 Ų37.96%0.05823%0.228CC..  trans-57.6134.8165.200000109.1V14 Y80 I81 I115V14-A83 HydrophobicContact CB-CB 4.43Å; V14-A83 HydrophobicContact CG1-CB 3.74Å; V14-A83 HydrophobicContact CG2-CB 3.82Å; Y80-A83 WeakPolarHBondContact O-CB 3.37Å; Y80-A83 PolarHBondContact O-N 3.24Å; I81-A83 PolarHBondContact O-N 2.94Å; A83-I115 HydrophobicContact CB-CD1 4.1Å; A83-I115 WeakPolarHBondContact O-CG2 3.2Å
84Q98.4Very high91.5Very high82 Ų8238.3 Ų38.338%0.38323%0.226SC..SBendtrans-100.6-22.4176.4-70157.4-7600110.7F11 K12 Q82 P116 L168F11-Q84 VanDerWaalsContact CA-OE1 3.27Å; F11-Q84 HydrophobicContact CB-CB 4.37Å; F11-Q84 HydrophobicContact CD1-CB 4.17Å; K12-Q84 PolarHBondContact O-N 3.27Å; Q82-Q84 PolarHBondContact O-N 2.79Å; Q84-P116 WeakPolarHBondContact O-CD 3.38Å; Q84-L168 HydrophobicContact CB-CD2 4.3Å; Q84-L168 WeakPolarHBondContact O-CD2 3.16Å
85C98.6Very high93.2Very high0 Ų042.6 Ų42.60%022%0.216CC..EExtended strand (participates in β ladder)trans-154.2167.6173.656.20000110.9K12 L13 V14 P116 L164 L168K12-C85 PolarHBondContact O-N 3.45Å; L13-C85 WeakPolarHBondContact CA-O 3.3Å; V14-C85 PolarHBondContact N-O 3.14Å; C85-P116 VanDerWaalsContact CA-O 3.27Å; C85-P116 WeakPolarHBondContact CA-O 3.35Å; C85-P116 WeakPolarHBondContact CB-O 3.41Å; C85-L164 HydrophobicContact CB-CD1 4.2Å; C85-L164 HydrophobicContact CB-CD2 3.68Å; C85-L164 HydrophobicContact CB-CG 4.4Å; C85-L168 HydrophobicContact CB-CD1 3.98Å; C85-L168 HydrophobicContact CB-CD2 4.45Å
86A98.5Very high94.7Very high0 Ų041.3 Ų41.30%021%0.212CC..EExtended strand (participates in β ladder)trans-143.1158.1174.700000113.8V14 L108 I115 P116 I117 V118V14-A86 HydrophobicContact CG2-CB 3.53Å; V14-A86 VanDerWaalsContact O-CA 3.23Å; V14-A86 WeakPolarHBondContact O-CA 3.26Å; V14-A86 WeakPolarHBondContact O-CB 3.44Å; A86-L108 HydrophobicContact CB-CD1 4.32Å; A86-L108 HydrophobicContact CB-CD2 3.39Å; A86-L108 HydrophobicContact CB-CG 4.47Å; A86-I115 HydrophobicContact CB-CD1 4.13Å; A86-P116 PolarHBondContact N-O 2.95Å; A86-I117 HydrophobicContact CB-CG1 4.1Å; A86-I117 HydrophobicContact CB-CG2 4.32Å; A86-I117 WeakPolarHBondContact O-CA 3.39Å; A86-V118 PolarHBondContact O-N 2.93Å
87I98.7Very high95.8Very high0 Ų040.2 Ų40.20%021%0.209CC..EExtended strand (participates in β ladder)trans-120.4125.2163.1-63.9175.1000107.5L13 V14 L15 V16 F26 V118 C120 P160 F161 L164L13-I87 HydrophobicContact CD1-CD1 4.02Å; L13-I87 HydrophobicContact CD1-CG1 4.23Å; L13-I87 HydrophobicContact CD2-CB 4.45Å; L13-I87 HydrophobicContact CD2-CD1 4.22Å; L13-I87 HydrophobicContact CD2-CG1 4.19Å; V14-I87 PolarHBondContact O-N 3.39Å; L15-I87 WeakPolarHBondContact CA-O 3.3Å; L15-I87 HydrophobicContact CD1-CB 3.68Å; L15-I87 HydrophobicContact CD1-CG2 3.59Å; V16-I87 PolarHBondContact N-O 3.4Å; F26-I87 HydrophobicContact CE1-CD1 4.12Å; I87-V118 CarbonylContact C-O 3.57Å; I87-V118 VanDerWaalsContact CA-O 3.3Å; I87-V118 WeakPolarHBondContact CA-O 3.32Å; I87-V118 HydrophobicContact CG1-CB 4.38Å; I87-C120 HydrophobicContact CG2-CB 4.19Å; I87-P160 HydrophobicContact CD1-CB 3.78Å; I87-P160 HydrophobicContact CG1-CB 4.44Å; I87-F161 HydrophobicContact CD1-CZ 4.41Å; I87-L164 HydrophobicContact CD1-CD1 4.29Å; I87-L164 HydrophobicContact CG1-CD1 3.93Å
88I98.1Very high96.7Very high0 Ų038.7 Ų38.70%020%0.198CC..EExtended strand (participates in β ladder)trans-100.2120168.6-51.3-178.1000107.2V16 V101 W104 H105 I117 V118 L119 C120V16-I88 HydrophobicContact CG2-CB 4.19Å; V16-I88 HydrophobicContact CG2-CG1 3.68Å; V16-I88 HydrophobicContact CG2-CG2 4.26Å; V16-I88 WeakPolarHBondContact O-CA 3.46Å; I88-V101 HydrophobicContact CG2-CG1 4.18Å; I88-V101 HydrophobicContact CG2-CG2 4.28Å; I88-W104 HydrophobicContact CG2-CB 4.14Å; I88-H105 HydrophobicContact CD1-CB 3.76Å; I88-I117 HydrophobicContact CD1-CG2 3.91Å; I88-I117 HydrophobicContact CG1-CG2 3.82Å; I88-V118 PolarHBondContact N-O 2.8Å; I88-L119 HydrophobicContact CB-CD1 4.09Å; I88-L119 HydrophobicContact CG2-CD1 4.15Å; I88-L119 WeakPolarHBondContact O-CA 2.98Å; I88-L119 WeakPolarHBondContact O-CD1 3.02Å; I88-C120 PolarHBondContact O-N 2.73Å
89M98.5Very high97.1Very high1 Ų144.5 Ų44.51%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-110.5131.1-177.7-171.1175.9-65.600111.5L15 V16 G17 K23 F26 C120 N122 I149L15-M89 HydrophobicContact CD1-CB 4.39Å; L15-M89 HydrophobicContact CD1-CE 4.21Å; V16-M89 PolarHBondContact O-N 2.99Å; G17-M89 WeakPolarHBondContact CA-O 3.29Å; K23-M89 HydrophobicContact CG-CB 4.08Å; K23-M89 HydrophobicContact CG-SD 4.16Å; F26-M89 HydrophobicContact CB-CE 3.72Å; F26-M89 HydrophobicContact CD1-CE 3.92Å; F26-M89 HydrophobicContact CD2-CE 4.1Å; F26-M89 HydrophobicContact CG-CE 3.66Å; M89-C120 WeakPolarHBondContact CA-O 3.5Å; M89-N122 HydrophobicContact CG-CB 3.98Å; M89-N122 HydrophobicContact SD-CB 3.87Å; M89-I149 HydrophobicContact CE-CD1 3.73Å
90F98.5Very high97.4Very high0 Ų044 Ų440%021%0.212CC..EExtended strand (participates in β ladder)trans-123.3170.6166.672.8-86000110.8V92 Y98 V101 L119 C120 G121 N122 V131 I136 Y146F90-V92 HydrophobicContact CE2-CG1 3.94Å; F90-V92 HydrophobicContact CZ-CG1 4.49Å; F90-Y98 AromaticContact CD1-CD2 3.97Å; F90-Y98 HydrophobicContact CD1-CD2 3.97Å; F90-Y98 AromaticContact CD2-CD2 4Å; F90-Y98 HydrophobicContact CD2-CD2 4Å; F90-Y98 HydrophobicContact CD2-CG 4.34Å; F90-Y98 AromaticContact CE1-CD2 3.81Å; F90-Y98 HydrophobicContact CE1-CD2 3.81Å; F90-Y98 HydrophobicContact CE1-CE2 4.27Å; F90-Y98 AromaticContact CE2-CD2 3.88Å; F90-Y98 HydrophobicContact CE2-CD2 3.88Å; F90-Y98 HydrophobicContact CE2-CG 4.36Å; F90-Y98 HydrophobicContact CG-CD2 4.04Å; F90-Y98 AromaticContact CZ-CD2 3.79Å; F90-Y98 HydrophobicContact CZ-CD2 3.79Å; F90-Y98 HydrophobicContact CZ-CE2 4.34Å; F90-V101 HydrophobicContact CB-CG2 4Å; F90-V101 HydrophobicContact CD1-CG2 4.08Å; F90-V101 HydrophobicContact CG-CG2 4.31Å; F90-L119 HydrophobicContact CD1-CD1 3.72Å; F90-L119 HydrophobicContact CD1-CG 4.18Å; F90-L119 HydrophobicContact CE1-CD1 3.94Å; F90-L119 HydrophobicContact CE1-CD2 4.13Å; F90-L119 HydrophobicContact CE1-CG 3.87Å; F90-C120 WeakPolarHBondContact CD1-O 3.28Å; F90-C120 PolarHBondContact N-O 2.97Å; F90-G121 VanDerWaalsContact CZ-CA 3.47Å; F90-N122 PolarHBondContact O-N 3.07Å; F90-V131 HydrophobicContact CE2-CB 4.17Å; F90-V131 HydrophobicContact CE2-CG1 3.85Å; F90-V131 HydrophobicContact CZ-CG1 4.47Å; F90-I136 HydrophobicContact CZ-CD1 4.01Å; F90-I136 HydrophobicContact CZ-CG1 4.27Å; F90-Y146 AromaticContact CE1-CE2 3.7Å; F90-Y146 HydrophobicContact CE1-CE2 3.7Å; F90-Y146 AromaticContact CZ-CE2 3.78Å; F90-Y146 HydrophobicContact CZ-CE2 3.78Å
91D98.2Very high97.6Very high10 Ų1044 Ų445%0.05321%0.212CC..EExtended strand (participates in β ladder)trans-106.3120.1179-179.8-12.9000109.9T21 T93 S94 T97 K123T21-D91 HydrophobicContact CG2-CB 4.35Å; D91-T93 PolarHBondContact O-N 3.37Å; D91-T93 VanDerWaalsContact O-N 3.09Å; D91-T93 WeakPolarHBondContact OD1-CA 3.42Å; D91-T93 WeakPolarHBondContact OD1-CB 3.42Å; D91-T93 PolarHBondContact OD1-N 2.85Å; D91-T93 PolarHBondContact OD1-OG1 2.83Å; D91-T93 PolarHBondContact OD2-OG1 2.8Å; D91-S94 CarbonylContact O-C 3.6Å; D91-S94 PolarHBondContact O-N 3.29Å; D91-T97 HydrophobicContact CB-CG2 4.3Å; D91-T97 PolarHBondContact N-OG1 3.1Å; D91-T97 PolarHBondContact O-OG1 2.95Å; D91-K123 WeakPolarHBondContact OD2-CD 3.12Å; D91-K123 WeakPolarHBondContact OD2-CE 3.42Å; D91-K123 IonicContact OD2-NZ 2.71Å; D91-K123 PolarHBondContact OD2-NZ 2.85Å
92V98.3Very high97.7Very high0 Ų042.1 Ų42.10%021%0.206CC..THydrogen-bonded Turntrans-65.3-14.7-178.5-56.50000113.4F90 N122 V124 R129 K130 V131F90-V92 HydrophobicContact CE2-CG1 3.94Å; F90-V92 HydrophobicContact CZ-CG1 4.49Å; V92-N122 WeakPolarHBondContact CG1-O 3.27Å; V92-N122 WeakPolarHBondContact CG2-O 3.44Å; V92-N122 PolarHBondContact N-O 3.49Å; V92-V124 HydrophobicContact CG1-CG1 4.04Å; V92-V124 HydrophobicContact CG2-CG1 4.17Å; V92-R129 HydrophobicContact CB-CG 4.09Å; V92-R129 HydrophobicContact CG2-CG 4.14Å; V92-K130 WeakPolarHBondContact O-CA 3.5Å; V92-K130 PolarHBondContact O-N 3.27Å; V92-V131 PolarHBondContact O-N 3.39Å
93T97.9Very high97.6Very high40 Ų4037.6 Ų37.625%0.24519%0.186CC..THydrogen-bonded Turntrans-88.9-9.5175.172.10000113D91 I126 K130D91-T93 PolarHBondContact O-N 3.37Å; D91-T93 VanDerWaalsContact O-N 3.09Å; D91-T93 WeakPolarHBondContact OD1-CA 3.42Å; D91-T93 WeakPolarHBondContact OD1-CB 3.42Å; D91-T93 PolarHBondContact OD1-N 2.85Å; D91-T93 PolarHBondContact OD1-OG1 2.83Å; D91-T93 PolarHBondContact OD2-OG1 2.8Å; T93-I126 HydrophobicContact CG2-CB 3.72Å; T93-I126 HydrophobicContact CG2-CD1 3.82Å; T93-I126 HydrophobicContact CG2-CG1 4.31Å; T93-I126 HydrophobicContact CG2-CG2 3.74Å; T93-K130 WeakPolarHBondContact O-CG 3.15Å
94S97.6Very high97.5Very high36 Ų3637.6 Ų37.625%0.25219%0.185SC..  trans-128.8100.1-174.5-1740000111.9D91 V96 T97D91-S94 CarbonylContact O-C 3.6Å; D91-S94 PolarHBondContact O-N 3.29Å; S94-V96 PolarHBondContact O-N 2.98Å; S94-V96 VanDerWaalsContact OG-CG1 3.27Å; S94-V96 WeakPolarHBondContact OG-CG1 3.4Å; S94-T97 PolarHBondContact O-N 2.62Å; S94-T97 PolarHBondContact O-OG1 2.97Å
95R97.4Very high97.3Very high176 Ų17634.6 Ų34.666%0.66417%0.171SC*.Hα-helixtrans-55.8-35.4-178.1-65.5-177.4-177.6150.6-0.4113.5T97 Y98 K99 K130 V131R95-T97 VanDerWaalsContact C-N 3.26Å; R95-T97 PolarHBondContact O-N 3.37Å; R95-Y98 PolarHBondContact O-N 3.13Å; R95-K99 PolarHBondContact O-N 2.87Å; R95-K130 HydrophobicContact CG-CB 3.99Å; R95-V131 HydrophobicContact CG-CG2 4.19Å
96V97Very high97.1Very high82 Ų8241 Ų4150%0.49720%0.195SC..Hα-helixtrans-60.5-38.1179.661.30000111.5S94 Y98 K99 N100S94-V96 PolarHBondContact O-N 2.98Å; S94-V96 VanDerWaalsContact OG-CG1 3.27Å; S94-V96 WeakPolarHBondContact OG-CG1 3.4Å; V96-Y98 VanDerWaalsContact C-N 3.29Å; V96-Y98 PolarHBondContact O-N 3.24Å; V96-K99 WeakPolarHBondContact O-CB 3.36Å; V96-K99 PolarHBondContact O-N 2.66Å; V96-K99 VanDerWaalsContact O-N 3.16Å; V96-N100 PolarHBondContact O-N 3.09Å; V96-N100 PolarHBondContact O-ND2 2.89Å
97T97.7Very high96.8Very high9 Ų942 Ų426%0.05520%0.201CC..Hα-helixtrans-66.4-33.4-179.768.40000112.4D18 T21 D91 S94 R95D18-T97 HydrophobicContact CB-CG2 3.84Å; D18-T97 WeakPolarHBondContact OD2-CA 3.26Å; T21-T97 HydrophobicContact CG2-CG2 3.88Å; D91-T97 HydrophobicContact CB-CG2 4.3Å; D91-T97 PolarHBondContact N-OG1 3.1Å; D91-T97 PolarHBondContact O-OG1 2.95Å; S94-T97 PolarHBondContact O-N 2.62Å; S94-T97 PolarHBondContact O-OG1 2.97Å; R95-T97 VanDerWaalsContact C-N 3.26Å; R95-T97 PolarHBondContact O-N 3.37Å
98Y98.2Very high96.6Very high34 Ų3442 Ų4213%0.13320%0.201CC..Hα-helixtrans-74.2-40.9172.8-177.4-106.9000111.8F90 R95 V96 N100 V101 L119 V131 S135 I136 V137 F138F90-Y98 AromaticContact CD1-CD2 3.97Å; F90-Y98 HydrophobicContact CD1-CD2 3.97Å; F90-Y98 AromaticContact CD2-CD2 4Å; F90-Y98 HydrophobicContact CD2-CD2 4Å; F90-Y98 HydrophobicContact CD2-CG 4.34Å; F90-Y98 AromaticContact CE1-CD2 3.81Å; F90-Y98 HydrophobicContact CE1-CD2 3.81Å; F90-Y98 HydrophobicContact CE1-CE2 4.27Å; F90-Y98 AromaticContact CE2-CD2 3.88Å; F90-Y98 HydrophobicContact CE2-CD2 3.88Å; F90-Y98 HydrophobicContact CE2-CG 4.36Å; F90-Y98 HydrophobicContact CG-CD2 4.04Å; F90-Y98 AromaticContact CZ-CD2 3.79Å; F90-Y98 HydrophobicContact CZ-CD2 3.79Å; F90-Y98 HydrophobicContact CZ-CE2 4.34Å; R95-Y98 PolarHBondContact O-N 3.13Å; V96-Y98 VanDerWaalsContact C-N 3.29Å; V96-Y98 PolarHBondContact O-N 3.24Å; Y98-N100 PolarHBondContact O-N 3.13Å; Y98-N100 VanDerWaalsContact O-N 3.17Å; Y98-V101 HydrophobicContact CD2-CG2 4.2Å; Y98-V101 WeakPolarHBondContact O-CB 3.43Å; Y98-V101 WeakPolarHBondContact O-CG2 3.46Å; Y98-V101 PolarHBondContact O-N 3.24Å; Y98-L119 HydrophobicContact CE2-CD2 4.3Å; Y98-V131 HydrophobicContact CD1-CG1 4.04Å; Y98-V131 HydrophobicContact CD2-CG1 4.28Å; Y98-V131 HydrophobicContact CG-CG1 3.85Å; Y98-S135 VanDerWaalsContact CE1-O 3.27Å; Y98-S135 WeakPolarHBondContact CE1-O 3.39Å; Y98-S135 PolarHBondContact OH-O 3.37Å; Y98-I136 HydrophobicContact CE2-CB 4.39Å; Y98-I136 HydrophobicContact CE2-CG1 4.31Å; Y98-I136 HydrophobicContact CE2-CG2 3.94Å; Y98-I136 VanDerWaalsContact OH-CA 3.28Å; Y98-I136 WeakPolarHBondContact OH-CA 3.43Å; Y98-V137 PolarHBondContact OH-N 3.05Å; Y98-F138 HydrophobicContact CE2-CB 4.49Å; Y98-F138 WeakPolarHBondContact OH-CB 3.39Å; Y98-F138 PolarHBondContact OH-N 3.17Å; Y98-F138 VanDerWaalsContact OH-N 3.09Å
99K96.9Very high96.5Very high165 Ų16544.2 Ų44.272%0.71721%0.214SC*.Hα-helixtrans-56.8-30.2174.4-171.9179179.51770112.5R95 V96 P102R95-K99 PolarHBondContact O-N 2.87Å; V96-K99 WeakPolarHBondContact O-CB 3.36Å; V96-K99 PolarHBondContact O-N 2.66Å; V96-K99 VanDerWaalsContact O-N 3.16Å; K99-P102 VanDerWaalsContact O-CD 3.31Å; K99-P102 WeakPolarHBondContact O-CD 3.27Å
100N95.9Very high96.2Very high29 Ų2951.4 Ų51.416%0.15524%0.241CC..THydrogen-bonded Turntrans-85.6-10.6179.3-72.9-21.3000114.6D18 V96 Y98 P102 N103 W104D18-N100 WeakPolarHBondContact OD1-CB 3.49Å; D18-N100 PolarHBondContact OD2-ND2 3.02Å; V96-N100 PolarHBondContact O-N 3.09Å; V96-N100 PolarHBondContact O-ND2 2.89Å; Y98-N100 PolarHBondContact O-N 3.13Å; Y98-N100 VanDerWaalsContact O-N 3.17Å; N100-P102 VanDerWaalsContact C-CD 3.47Å; N100-N103 WeakPolarHBondContact O-CB 3.49Å; N100-N103 PolarHBondContact O-N 3.37Å; N100-W104 VanDerWaalsContact O-CD1 3.27Å; N100-W104 PolarHBondContact O-N 3.1Å
101V97.1Very high96.1Very high1 Ų153.7 Ų53.71%0.00625%0.254CS..Hα-helixtrans-52.8-44.4177.8167.70000113I88 F90 Y98 N103 W104 H105 L119 F138I88-V101 HydrophobicContact CG2-CG1 4.18Å; I88-V101 HydrophobicContact CG2-CG2 4.28Å; F90-V101 HydrophobicContact CB-CG2 4Å; F90-V101 HydrophobicContact CD1-CG2 4.08Å; F90-V101 HydrophobicContact CG-CG2 4.31Å; Y98-V101 HydrophobicContact CD2-CG2 4.2Å; Y98-V101 WeakPolarHBondContact O-CB 3.43Å; Y98-V101 WeakPolarHBondContact O-CG2 3.46Å; Y98-V101 PolarHBondContact O-N 3.24Å; V101-N103 VanDerWaalsContact C-N 3.26Å; V101-N103 PolarHBondContact O-N 2.92Å; V101-W104 PolarHBondContact O-N 2.94Å; V101-H105 WeakPolarHBondContact O-CB 3.36Å; V101-H105 PolarHBondContact O-N 3.47Å; V101-L119 HydrophobicContact CB-CD1 4.46Å; V101-L119 HydrophobicContact CG1-CD1 3.65Å; V101-L119 HydrophobicContact CG1-CD2 4.44Å; V101-L119 HydrophobicContact CG2-CD1 3.89Å; V101-F138 HydrophobicContact CG1-CD1 3.47Å; V101-F138 VanDerWaalsContact CG1-CD1 3.47Å; V101-F138 HydrophobicContact CG1-CE1 3.7Å; V101-F138 HydrophobicContact CG1-CG 4.12Å; V101-F138 HydrophobicContact CG1-CZ 4.5Å
102P96.2Very high95.9Very high53 Ų5353.7 Ų53.734%0.34426%0.255SS..Hα-helixtrans-56.8-36.1175.7-25.234.3000114.1K99 N100 R106 F138K99-P102 VanDerWaalsContact O-CD 3.31Å; K99-P102 WeakPolarHBondContact O-CD 3.27Å; N100-P102 VanDerWaalsContact C-CD 3.47Å; P102-R106 VanDerWaalsContact O-CB 3.29Å; P102-R106 WeakPolarHBondContact O-CB 3.3Å; P102-R106 PolarHBondContact O-N 3.06Å; P102-F138 HydrophobicContact CB-CD2 4.32Å; P102-F138 HydrophobicContact CB-CE2 3.69Å; P102-F138 HydrophobicContact CB-CZ 4.23Å; P102-F138 HydrophobicContact CG-CD2 3.78Å; P102-F138 HydrophobicContact CG-CE2 3.67Å; P102-F138 HydrophobicContact CG-CZ 4.42Å
103N93.9Very high95.7Very high64 Ų6461 Ų6134%0.34229%0.289SS..Hα-helixtrans-67.4-49.6177.9-67.1-38.4000110.8N100 V101 H105 R106 D107N100-N103 WeakPolarHBondContact O-CB 3.49Å; N100-N103 PolarHBondContact O-N 3.37Å; V101-N103 VanDerWaalsContact C-N 3.26Å; V101-N103 PolarHBondContact O-N 2.92Å; N103-H105 VanDerWaalsContact C-N 3.29Å; N103-H105 PolarHBondContact O-N 3.27Å; N103-R106 PolarHBondContact O-N 3.43Å; N103-R106 PolarHBondContact OD1-NH1 2.98Å; N103-R106 PolarHBondContact OD1-NH2 3.31Å; N103-D107 PolarHBondContact O-N 3.18Å
104W95Very high95.4Very high7 Ų766.4 Ų66.43%0.02732%0.317CS..Hα-helixtrans-58.9-41.9176.3-71.6107.3000112.5V16 G17 D18 R76 I88 N100 V101 L108V16-W104 HydrophobicContact CB-CD2 4.4Å; V16-W104 HydrophobicContact CB-CE3 3.78Å; V16-W104 HydrophobicContact CB-CZ3 4.17Å; V16-W104 HydrophobicContact CG1-CE3 4.43Å; V16-W104 HydrophobicContact CG2-CB 4.32Å; V16-W104 HydrophobicContact CG2-CE3 4.4Å; G17-W104 VanDerWaalsContact C-CE2 3.42Å; G17-W104 VanDerWaalsContact C-CZ2 3.42Å; G17-W104 VanDerWaalsContact O-CZ2 3.29Å; G17-W104 WeakPolarHBondContact O-CZ2 3.41Å; D18-W104 PolarHBondContact OD1-NE1 3.06Å; R76-W104 VanDerWaalsContact CZ-CZ3 3.42Å; I88-W104 HydrophobicContact CG2-CB 4.14Å; N100-W104 VanDerWaalsContact O-CD1 3.27Å; N100-W104 PolarHBondContact O-N 3.1Å; V101-W104 PolarHBondContact O-N 2.94Å; W104-L108 VanDerWaalsContact O-CB 3.26Å; W104-L108 WeakPolarHBondContact O-CB 3.19Å; W104-L108 PolarHBondContact O-N 3.27Å
105H95.7Very high95.5Very high19 Ų1966.1 Ų66.19%0.08831%0.312CS..Hα-helixtrans-63.5-48.7176.2176.2-82.1000111.6I88 V101 N103 D107 L108 V109 F138I88-H105 HydrophobicContact CD1-CB 3.76Å; V101-H105 WeakPolarHBondContact O-CB 3.36Å; V101-H105 PolarHBondContact O-N 3.47Å; N103-H105 VanDerWaalsContact C-N 3.29Å; N103-H105 PolarHBondContact O-N 3.27Å; H105-D107 VanDerWaalsContact C-N 3.33Å; H105-D107 PolarHBondContact O-N 2.8Å; H105-L108 PolarHBondContact O-N 2.85Å; H105-V109 WeakPolarHBondContact O-CG1 3.42Å; H105-V109 WeakPolarHBondContact O-CG2 3.15Å; H105-V109 PolarHBondContact O-N 3.04Å; H105-F138 HydrophobicContact CB-CE1 3.72Å; H105-F138 HydrophobicContact CB-CZ 3.58Å; H105-F138 AromaticContact CD2-CE1 3.93Å; H105-F138 AromaticContact CG-CE1 3.77Å; H105-F138 AromaticContact CG-CZ 3.59Å; H105-F138 AromaticContact ND1-CZ 3.93Å
106R93.8Very high95.5Very high135 Ų13559.2 Ų59.251%0.50929%0.29SS..Hα-helixtrans-56.1-48.5178.6178.7-166.763.8-135-9.4111.2P102 N103 L108 R110P102-R106 VanDerWaalsContact O-CB 3.29Å; P102-R106 WeakPolarHBondContact O-CB 3.3Å; P102-R106 PolarHBondContact O-N 3.06Å; N103-R106 PolarHBondContact O-N 3.43Å; N103-R106 PolarHBondContact OD1-NH1 2.98Å; N103-R106 PolarHBondContact OD1-NH2 3.31Å; R106-L108 VanDerWaalsContact C-N 3.31Å; R106-L108 PolarHBondContact O-N 3.23Å; R106-R110 WeakPolarHBondContact O-CB 3.48Å; R106-R110 PolarHBondContact O-N 3.36Å; R106-R110 VanDerWaalsContact O-N 3.1Å
107D92.7Very high95.6Very high22 Ų2255.6 Ų55.612%0.11827%0.268CS..Hα-helixtrans-66.3-37.3-177.3-60.2-8000111.1Y80 N103 H105Y80-D107 HydrophobicContact CE2-CB 4.16Å; N103-D107 PolarHBondContact O-N 3.18Å; H105-D107 VanDerWaalsContact C-N 3.33Å; H105-D107 PolarHBondContact O-N 2.8Å
108L94.1Very high95.6Very high0 Ų055.2 Ų55.20%027%0.265CS..Hα-helixtrans-65.4-52.717617867.5000112.5V14 Y80 A86 W104 H105 R106 R110 V111 C112 I115 I117V14-L108 HydrophobicContact CG2-CD1 3.46Å; V14-L108 VanDerWaalsContact CG2-CD1 3.46Å; Y80-L108 HydrophobicContact CD1-CD1 3.99Å; Y80-L108 HydrophobicContact CD2-CD1 4.48Å; Y80-L108 HydrophobicContact CE1-CD1 4.44Å; Y80-L108 HydrophobicContact CG-CD1 4.03Å; A86-L108 HydrophobicContact CB-CD1 4.32Å; A86-L108 HydrophobicContact CB-CD2 3.39Å; A86-L108 HydrophobicContact CB-CG 4.47Å; W104-L108 VanDerWaalsContact O-CB 3.26Å; W104-L108 WeakPolarHBondContact O-CB 3.19Å; W104-L108 PolarHBondContact O-N 3.27Å; H105-L108 PolarHBondContact O-N 2.85Å; R106-L108 VanDerWaalsContact C-N 3.31Å; R106-L108 PolarHBondContact O-N 3.23Å; L108-R110 PolarHBondContact O-N 2.97Å; L108-V111 PolarHBondContact O-N 3.27Å; L108-C112 PolarHBondContact O-N 2.98Å; L108-I115 HydrophobicContact CD1-CD1 4.18Å; L108-I115 HydrophobicContact CD2-CD1 4.32Å; L108-I115 HydrophobicContact CG-CD1 4.31Å; L108-I117 HydrophobicContact CD2-CD1 3.64Å; L108-I117 HydrophobicContact CD2-CG1 4.01Å
109V94.9Very high95.6Very high45 Ų4553.6 Ų53.627%0.27326%0.259SS..Hα-helixtrans-71.2-19.5-175.8-58.10000113H105 V111 I117H105-V109 WeakPolarHBondContact O-CG1 3.42Å; H105-V109 WeakPolarHBondContact O-CG2 3.15Å; H105-V109 PolarHBondContact O-N 3.04Å; V109-V111 PolarHBondContact O-N 3.31Å; V109-I117 HydrophobicContact CG1-CD1 4.03Å
110R93.8Very high95.7Very high153 Ų15345.7 Ų45.758%0.57723%0.225SC*.Hα-helixtrans-61.7-31.4169.2-179.5-179.966.6177.40.4112.4D77 R106 L108D77-R110 IonicContact OD1-CZ 3.91Å; D77-R110 IonicContact OD1-NE 2.86Å; D77-R110 IonicContact OD1-NH2 2.8Å; D77-R110 PolarHBondContact OD1-NH2 2.7Å; D77-R110 IonicContact OD2-CZ 3.18Å; D77-R110 IonicContact OD2-NH2 3.39Å; D77-R110 PolarHBondContact OD2-NH2 2.48Å; R106-R110 WeakPolarHBondContact O-CB 3.48Å; R106-R110 PolarHBondContact O-N 3.36Å; R106-R110 VanDerWaalsContact O-N 3.1Å; L108-R110 PolarHBondContact O-N 2.97Å
111V95Very high95.9Very high47 Ų4744.3 Ų44.329%0.28522%0.218SC..Hα-helixtrans-100.2-35.8-178.8-176.90000111.8D77 Y80 I81 L108 V109D77-V111 HydrophobicContact CB-CG2 4.08Å; Y80-V111 HydrophobicContact CD2-CB 4.41Å; Y80-V111 HydrophobicContact CD2-CG2 4.08Å; I81-V111 HydrophobicContact CG1-CG1 4.04Å; L108-V111 PolarHBondContact O-N 3.27Å; V109-V111 PolarHBondContact O-N 3.31Å
112C95Very high95.9Very high11 Ų1144.5 Ų44.57%0.07422%0.218CC..SBendtrans-129.993.4-178-66.90000110.4Y80 L108 I115Y80-C112 PolarHBondContact O-SG 2.85Å; L108-C112 PolarHBondContact O-N 2.98Å; C112-I115 HydrophobicContact CB-CD1 3.85Å; C112-I115 HydrophobicContact CB-CG1 4.24Å; C112-I115 HydrophobicContact CB-CG2 3.93Å
113E93.6Very high96Very high152 Ų15244.4 Ų44.471%0.7121%0.213SC*.THydrogen-bonded Turntrans-68.7141.4176-62.2-177.1-176.600110.9I115E113-I115 VanDerWaalsContact C-N 3.27Å; E113-I115 PolarHBondContact O-N 2.87Å; E113-I115 VanDerWaalsContact O-N 3.12Å
114N93Very high96.1Very high155 Ų15541.4 Ų41.483%0.82920%0.196SC*.THydrogen-bonded Turntrans59.222.1169-55.8-49.5000117.1
115I97.7Very high96.1Very high29 Ų2942.7 Ų42.715%0.14920%0.204CC..  trans-75.3148.4171.763.1169.9000111.3A83 A86 L108 C112 E113 I117A83-I115 HydrophobicContact CB-CD1 4.1Å; A83-I115 WeakPolarHBondContact O-CG2 3.2Å; A86-I115 HydrophobicContact CB-CD1 4.13Å; L108-I115 HydrophobicContact CD1-CD1 4.18Å; L108-I115 HydrophobicContact CD2-CD1 4.32Å; L108-I115 HydrophobicContact CG-CD1 4.31Å; C112-I115 HydrophobicContact CB-CD1 3.85Å; C112-I115 HydrophobicContact CB-CG1 4.24Å; C112-I115 HydrophobicContact CB-CG2 3.93Å; E113-I115 VanDerWaalsContact C-N 3.27Å; E113-I115 PolarHBondContact O-N 2.87Å; E113-I115 VanDerWaalsContact O-N 3.12Å; I115-I117 HydrophobicContact CD1-CG1 4.38Å; I115-I117 HydrophobicContact CG1-CD1 4.22Å; I115-I117 HydrophobicContact CG1-CG1 3.93Å; I115-I117 WeakPolarHBondContact O-CG1 3.48Å; I115-I117 PolarHBondContact O-N 2.94Å
116P98.3Very high96Very high31 Ų3145 Ų4520%0.20122%0.216CC..  trans-62.9126.5169.8-22.434.2000111.2Q84 C85 A86 W163 L164 K167 L168Q84-P116 WeakPolarHBondContact O-CD 3.38Å; C85-P116 VanDerWaalsContact CA-O 3.27Å; C85-P116 WeakPolarHBondContact CA-O 3.35Å; C85-P116 WeakPolarHBondContact CB-O 3.41Å; A86-P116 PolarHBondContact N-O 2.95Å; P116-W163 HydrophobicContact CB-CH2 4.31Å; P116-W163 HydrophobicContact CB-CZ3 3.81Å; P116-L164 HydrophobicContact CB-CD2 3.75Å; P116-L164 WeakPolarHBondContact O-CD2 3.49Å; P116-K167 HydrophobicContact CB-CB 4Å; P116-K167 HydrophobicContact CB-CG 4.5Å; P116-K167 HydrophobicContact CG-CB 3.91Å; P116-L168 HydrophobicContact CG-CD2 4.21Å; P116-L168 HydrophobicContact CG-CG 4.48Å
117I98.6Very high95.9Very high7 Ų747.1 Ų47.14%0.03623%0.229CC..EExtended strand (participates in β ladder)trans-126.6133-179.5-55.9165000109.5A86 I88 L108 V109 I115 L144 Q145A86-I117 HydrophobicContact CB-CG1 4.1Å; A86-I117 HydrophobicContact CB-CG2 4.32Å; A86-I117 WeakPolarHBondContact O-CA 3.39Å; I88-I117 HydrophobicContact CD1-CG2 3.91Å; I88-I117 HydrophobicContact CG1-CG2 3.82Å; L108-I117 HydrophobicContact CD2-CD1 3.64Å; L108-I117 HydrophobicContact CD2-CG1 4.01Å; V109-I117 HydrophobicContact CG1-CD1 4.03Å; I115-I117 HydrophobicContact CD1-CG1 4.38Å; I115-I117 HydrophobicContact CG1-CD1 4.22Å; I115-I117 HydrophobicContact CG1-CG1 3.93Å; I115-I117 WeakPolarHBondContact O-CG1 3.48Å; I115-I117 PolarHBondContact O-N 2.94Å; I117-L144 HydrophobicContact CB-CD2 3.86Å; I117-L144 HydrophobicContact CD1-CD2 4.42Å; I117-L144 HydrophobicContact CG2-CD1 4.17Å; I117-L144 HydrophobicContact CG2-CD2 4.33Å; I117-Q145 PolarHBondContact O-N 2.92Å
118V98.7Very high95.9Very high0 Ų050.6 Ų50.60%025%0.248CC..EExtended strand (participates in β ladder)trans-108132.3170.9-177.60000109.5A86 I87 I88 Q145 Y147 P160 W163 L164A86-V118 PolarHBondContact O-N 2.93Å; I87-V118 CarbonylContact C-O 3.57Å; I87-V118 VanDerWaalsContact CA-O 3.3Å; I87-V118 WeakPolarHBondContact CA-O 3.32Å; I87-V118 HydrophobicContact CG1-CB 4.38Å; I88-V118 PolarHBondContact N-O 2.8Å; V118-Q145 CarbonylContact C-O 3.57Å; V118-Q145 WeakPolarHBondContact CA-O 3.45Å; V118-Q145 HydrophobicContact CG2-CB 4.37Å; V118-Y147 HydrophobicContact CG1-CD2 3.73Å; V118-Y147 HydrophobicContact CG1-CE2 4.27Å; V118-P160 HydrophobicContact CB-CB 4.47Å; V118-P160 HydrophobicContact CG1-CB 4.02Å; V118-P160 HydrophobicContact CG1-CG 4.42Å; V118-W163 HydrophobicContact CG2-CD2 4.23Å; V118-W163 HydrophobicContact CG2-CE3 3.42Å; V118-W163 VanDerWaalsContact CG2-CE3 3.42Å; V118-W163 HydrophobicContact CG2-CZ3 3.85Å; V118-L164 HydrophobicContact CG2-CD1 4.25Å; V118-L164 HydrophobicContact CG2-CD2 3.85Å; V118-L164 HydrophobicContact CG2-CG 3.73Å
119L98.6Very high96Very high0 Ų051.5 Ų51.50%025%0.251CS..EExtended strand (participates in β ladder)trans-94.2123.5168.9-179.365.1000109.4I88 F90 Y98 V101 I136 H139 Q145 Y146 Y147I88-L119 HydrophobicContact CB-CD1 4.09Å; I88-L119 HydrophobicContact CG2-CD1 4.15Å; I88-L119 WeakPolarHBondContact O-CA 2.98Å; I88-L119 WeakPolarHBondContact O-CD1 3.02Å; F90-L119 HydrophobicContact CD1-CD1 3.72Å; F90-L119 HydrophobicContact CD1-CG 4.18Å; F90-L119 HydrophobicContact CE1-CD1 3.94Å; F90-L119 HydrophobicContact CE1-CD2 4.13Å; F90-L119 HydrophobicContact CE1-CG 3.87Å; Y98-L119 HydrophobicContact CE2-CD2 4.3Å; V101-L119 HydrophobicContact CB-CD1 4.46Å; V101-L119 HydrophobicContact CG1-CD1 3.65Å; V101-L119 HydrophobicContact CG1-CD2 4.44Å; V101-L119 HydrophobicContact CG2-CD1 3.89Å; L119-I136 HydrophobicContact CD2-CG2 4.28Å; L119-H139 HydrophobicContact CD2-CB 4.14Å; L119-Q145 PolarHBondContact N-O 2.99Å; L119-Y146 HydrophobicContact CB-CD2 4.15Å; L119-Y146 HydrophobicContact CD2-CD2 3.96Å; L119-Y146 HydrophobicContact CD2-CE2 4.48Å; L119-Y146 HydrophobicContact CG-CD2 3.9Å; L119-Y146 HydrophobicContact CG-CE2 4.34Å; L119-Y146 WeakPolarHBondContact O-CA 3.49Å; L119-Y146 VanDerWaalsContact O-CD2 3.27Å; L119-Y146 WeakPolarHBondContact O-CD2 3.33Å; L119-Y147 PolarHBondContact O-N 2.83Å
120C98.7Very high96.1Very high0 Ų053.2 Ų53.20%026%0.255CS..EExtended strand (participates in β ladder)trans-115.5121.9180-70.60000111.5I87 I88 M89 F90 Y147 I149 P160I87-C120 HydrophobicContact CG2-CB 4.19Å; I88-C120 PolarHBondContact O-N 2.73Å; M89-C120 WeakPolarHBondContact CA-O 3.5Å; F90-C120 WeakPolarHBondContact CD1-O 3.28Å; F90-C120 PolarHBondContact N-O 2.97Å; C120-Y147 WeakPolarHBondContact CA-O 3.32Å; C120-I149 HydrophobicContact CB-CD1 3.73Å; C120-I149 HydrophobicContact CB-CG1 4.11Å; C120-P160 VanDerWaalsContact SG-CG 3.51Å
121G98.6Very high96.3Very high0 Ų046.1 Ų46.10%023%0.228CC..EExtended strand (participates in β ladder)trans-89.7101.7167.400000110F90 Y147 I149F90-G121 VanDerWaalsContact CZ-CA 3.47Å; G121-Y147 PolarHBondContact N-O 2.7Å; G121-I149 PolarHBondContact O-N 3.37Å
122N98.4Very high96.2Very high4 Ų449.5 Ų49.52%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-87.2164.2-177.9-169.129000112.5T21 M89 F90 V92 I149 A151T21-N122 PolarHBondContact O-ND2 3.39Å; M89-N122 HydrophobicContact CG-CB 3.98Å; M89-N122 HydrophobicContact SD-CB 3.87Å; F90-N122 PolarHBondContact O-N 3.07Å; V92-N122 WeakPolarHBondContact CG1-O 3.27Å; V92-N122 WeakPolarHBondContact CG2-O 3.44Å; V92-N122 PolarHBondContact N-O 3.49Å; N122-I149 CarbonylContact C-O 3.51Å; N122-I149 WeakPolarHBondContact CA-O 3.17Å; N122-I149 HydrophobicContact CB-CD1 4.17Å; N122-I149 HydrophobicContact CB-CG1 3.91Å; N122-I149 PolarHBondContact OD1-O 3.27Å; N122-A151 PolarHBondContact OD1-N 2.99Å
123K97Very high96.2Very high52 Ų5249.2 Ų49.223%0.22624%0.238CC..  trans71.132.3176.9-45.8-169.9-166.4166.30114.7G20 D91 D125 I126 I149G20-K123 WeakPolarHBondContact O-CE 3.43Å; G20-K123 PolarHBondContact O-NZ 2.9Å; D91-K123 WeakPolarHBondContact OD2-CD 3.12Å; D91-K123 WeakPolarHBondContact OD2-CE 3.42Å; D91-K123 IonicContact OD2-NZ 2.71Å; D91-K123 PolarHBondContact OD2-NZ 2.85Å; K123-D125 WeakPolarHBondContact CA-OD1 3.46Å; K123-D125 PolarHBondContact O-N 3.26Å; K123-D125 VanDerWaalsContact O-N 3.15Å; K123-I126 HydrophobicContact CB-CD1 4.03Å; K123-I126 HydrophobicContact CB-CG1 4.43Å; K123-I126 HydrophobicContact CD-CD1 4.19Å; K123-I126 PolarHBondContact O-N 2.8Å; K123-I126 VanDerWaalsContact O-N 3.07Å; K123-I149 PolarHBondContact N-O 3.15Å
124V97.1Very high96.1Very high0 Ų050.2 Ų50.20%024%0.24CC..THydrogen-bonded Turntrans-65.4-12.6175.2-58.60000113.7V92 I126 D148 I149 Y155 M189 Y197V92-V124 HydrophobicContact CG1-CG1 4.04Å; V92-V124 HydrophobicContact CG2-CG1 4.17Å; V124-I126 PolarHBondContact O-N 2.84Å; V124-D148 HydrophobicContact CG1-CB 3.85Å; V124-I149 WeakPolarHBondContact CG2-O 3.14Å; V124-I149 PolarHBondContact N-O 3.45Å; V124-Y155 HydrophobicContact CG2-CD1 3.67Å; V124-Y155 HydrophobicContact CG2-CE1 4.16Å; V124-M189 HydrophobicContact CB-CE 4.24Å; V124-M189 HydrophobicContact CG2-CE 3.79Å; V124-M189 HydrophobicContact CG2-SD 4.17Å; V124-Y197 HydrophobicContact CB-CD2 4.14Å; V124-Y197 HydrophobicContact CB-CE2 3.95Å; V124-Y197 WeakPolarHBondContact O-CE2 3.45Å
125D94.3Very high96.1Very high34 Ų3445.2 Ų45.218%0.18222%0.217CC..THydrogen-bonded Turntrans-65.3-16.2170.357.4-71.6000113.3K123 S150 K152 V187 M189K123-D125 WeakPolarHBondContact CA-OD1 3.46Å; K123-D125 PolarHBondContact O-N 3.26Å; K123-D125 VanDerWaalsContact O-N 3.15Å; D125-S150 VanDerWaalsContact CG-OG 3.24Å; D125-S150 WeakPolarHBondContact OD1-CB 3.32Å; D125-S150 PolarHBondContact OD1-OG 3.34Å; D125-K152 WeakPolarHBondContact OD2-CD 3.3Å; D125-V187 HydrophobicContact CB-CG2 3.97Å; D125-M189 HydrophobicContact CB-SD 4.33Å
126I94.2Very high95.9Very high69 Ų6944 Ų4435%0.35421%0.211SC..SBendtrans-87.7119.8177.7-58.7176.8000109.7T93 K123 V124 D128T93-I126 HydrophobicContact CG2-CB 3.72Å; T93-I126 HydrophobicContact CG2-CD1 3.82Å; T93-I126 HydrophobicContact CG2-CG1 4.31Å; T93-I126 HydrophobicContact CG2-CG2 3.74Å; K123-I126 HydrophobicContact CB-CD1 4.03Å; K123-I126 HydrophobicContact CB-CG1 4.43Å; K123-I126 HydrophobicContact CD-CD1 4.19Å; K123-I126 PolarHBondContact O-N 2.8Å; K123-I126 VanDerWaalsContact O-N 3.07Å; V124-I126 PolarHBondContact O-N 2.84Å; I126-D128 VanDerWaalsContact C-N 3.3Å; I126-D128 PolarHBondContact O-N 2.98Å
127K91Very high95.8Very high178 Ų17843.7 Ų43.777%0.77421%0.209SC*.SBendtrans-58.9-35.6-177.4-67.7-172.4177.1-174.10113.8R129K127-R129 PolarHBondContact O-N 3.25Å
128D93.6Very high95.6Very high96 Ų9644.4 Ų44.451%0.51321%0.211SC..  trans-80.559.8-179.5-170.421.3000112.3I126 K130I126-D128 VanDerWaalsContact C-N 3.3Å; I126-D128 PolarHBondContact O-N 2.98Å; D128-K130 VanDerWaalsContact CG-CE 3.46Å; D128-K130 PolarHBondContact O-N 3.33Å; D128-K130 WeakPolarHBondContact OD1-CE 3.31Å; D128-K130 IonicContact OD1-NZ 3.68Å; D128-K130 PolarHBondContact OD1-NZ 3.18Å; D128-K130 WeakPolarHBondContact OD2-CE 3.32Å; D128-K130 IonicContact OD2-NZ 3.65Å; D128-K130 PolarHBondContact OD2-NZ 3.39Å
129R96.5Very high95.4Very high18 Ų1845.2 Ų45.27%0.06822%0.215CC..  trans-67.9115.6178.3-179.5173.8-176.9158.79.4110.9V92 K127 V131 D148 Y197V92-R129 HydrophobicContact CB-CG 4.09Å; V92-R129 HydrophobicContact CG2-CG 4.14Å; K127-R129 PolarHBondContact O-N 3.25Å; R129-V131 WeakPolarHBondContact CG-O 2.95Å; R129-V131 PolarHBondContact NE-O 3.45Å; R129-D148 IonicContact CZ-OD1 3.52Å; R129-D148 IonicContact CZ-OD2 2.68Å; R129-D148 IonicContact NH1-OD1 2.65Å; R129-D148 IonicContact NH1-OD2 3.06Å; R129-D148 PolarHBondContact NH1-OD2 3.32Å; R129-D148 IonicContact NH2-OD1 2.62Å; R129-D148 PolarHBondContact NH2-OD1 3.27Å; R129-D148 IonicContact NH2-OD2 3.24Å; R129-D148 PolarHBondContact NH2-OD2 3.42Å; R129-Y197 VanDerWaalsContact NH1-CD1 3.29Å
130K96.9Very high95Very high82 Ų8249.1 Ų49.136%0.35723%0.23SC..SBendtrans-90.5-31.3-179.2-57.6-56.2-172.4-169.90113.9V92 T93 R95 D128V92-K130 WeakPolarHBondContact O-CA 3.5Å; V92-K130 PolarHBondContact O-N 3.27Å; T93-K130 WeakPolarHBondContact O-CG 3.15Å; R95-K130 HydrophobicContact CG-CB 3.99Å; D128-K130 VanDerWaalsContact CG-CE 3.46Å; D128-K130 PolarHBondContact O-N 3.33Å; D128-K130 WeakPolarHBondContact OD1-CE 3.31Å; D128-K130 IonicContact OD1-NZ 3.68Å; D128-K130 PolarHBondContact OD1-NZ 3.18Å; D128-K130 WeakPolarHBondContact OD2-CE 3.32Å; D128-K130 IonicContact OD2-NZ 3.65Å; D128-K130 PolarHBondContact OD2-NZ 3.39Å
131V96.6Very high94.7Very high3 Ų352.2 Ų52.22%0.01824%0.244CC..SBendtrans-104.8100.4178-173.30000108.3F90 V92 R95 Y98 R129 I136F90-V131 HydrophobicContact CE2-CB 4.17Å; F90-V131 HydrophobicContact CE2-CG1 3.85Å; F90-V131 HydrophobicContact CZ-CG1 4.47Å; V92-V131 PolarHBondContact O-N 3.39Å; R95-V131 HydrophobicContact CG-CG2 4.19Å; Y98-V131 HydrophobicContact CD1-CG1 4.04Å; Y98-V131 HydrophobicContact CD2-CG1 4.28Å; Y98-V131 HydrophobicContact CG-CG1 3.85Å; R129-V131 WeakPolarHBondContact CG-O 2.95Å; R129-V131 PolarHBondContact NE-O 3.45Å; V131-I136 HydrophobicContact CG1-CD1 4.05Å; V131-I136 HydrophobicContact CG1-CG1 3.66Å
132K94.5Very high94.4Very high118 Ų11857.4 Ų57.451%0.51327%0.266SS..  trans-89.7159.1-175.8-63-170.7176.1-169.60111.1K134 S135 I136K132-K134 HydrophobicContact CB-CG 4.24Å; K132-K134 PolarHBondContact O-N 3.22Å; K132-K134 VanDerWaalsContact O-N 3.1Å; K132-S135 PolarHBondContact N-OG 2.97Å; K132-S135 VanDerWaalsContact N-OG 3.11Å; K132-S135 PolarHBondContact O-N 2.86Å; K132-S135 PolarHBondContact O-OG 2.9Å; K132-I136 WeakPolarHBondContact O-CG1 3.49Å
133A93.4Very high94.2Very high6 Ų664.3 Ų64.35%0.0530%0.303CS..G310 helixtrans-45-46.3178.600000113.3S135 I136 D200 L201 A204A133-S135 PolarHBondContact O-N 2.85Å; A133-S135 VanDerWaalsContact O-N 3.13Å; A133-I136 PolarHBondContact O-N 3.43Å; A133-D200 HydrophobicContact CB-CB 3.84Å; A133-L201 HydrophobicContact CB-CD2 3.74Å; A133-L201 HydrophobicContact CB-CG 4.1Å; A133-A204 HydrophobicContact CB-CB 4.14Å
134K91.9Very high94.2Very high172 Ų17262.7 Ų62.775%0.74830%0.297SS*.G310 helixtrans-57.5-26.9178.169.4176-172.5170.10115.7K132K132-K134 HydrophobicContact CB-CG 4.24Å; K132-K134 PolarHBondContact O-N 3.22Å; K132-K134 VanDerWaalsContact O-N 3.1Å
135S92.9Very high94.2Very high51 Ų5165.1 Ų65.136%0.35731%0.308SS..G310 helixtrans-88.1-10.6178.1500000113.3Y98 K132 A133 V137Y98-S135 VanDerWaalsContact CE1-O 3.27Å; Y98-S135 WeakPolarHBondContact CE1-O 3.39Å; Y98-S135 PolarHBondContact OH-O 3.37Å; K132-S135 PolarHBondContact N-OG 2.97Å; K132-S135 VanDerWaalsContact N-OG 3.11Å; K132-S135 PolarHBondContact O-N 2.86Å; K132-S135 PolarHBondContact O-OG 2.9Å; A133-S135 PolarHBondContact O-N 2.85Å; A133-S135 VanDerWaalsContact O-N 3.13Å; S135-V137 PolarHBondContact O-N 2.78Å; S135-V137 VanDerWaalsContact O-N 3.13Å
136I94.8Very high94.4Very high3 Ų363.8 Ų63.82%0.01530%0.3CS..  trans-92.971.8-171.5-57.4163.7000109.2F90 Y98 L119 V131 K132 A133 H139 Y146F90-I136 HydrophobicContact CZ-CD1 4.01Å; F90-I136 HydrophobicContact CZ-CG1 4.27Å; Y98-I136 HydrophobicContact CE2-CB 4.39Å; Y98-I136 HydrophobicContact CE2-CG1 4.31Å; Y98-I136 HydrophobicContact CE2-CG2 3.94Å; Y98-I136 VanDerWaalsContact OH-CA 3.28Å; Y98-I136 WeakPolarHBondContact OH-CA 3.43Å; L119-I136 HydrophobicContact CD2-CG2 4.28Å; V131-I136 HydrophobicContact CG1-CD1 4.05Å; V131-I136 HydrophobicContact CG1-CG1 3.66Å; K132-I136 WeakPolarHBondContact O-CG1 3.49Å; A133-I136 PolarHBondContact O-N 3.43Å; I136-H139 PolarHBondContact O-CE1 3.11Å; I136-H139 PolarHBondContact O-ND1 3.28Å; I136-Y146 HydrophobicContact CD1-CE1 4.3Å; I136-Y146 HydrophobicContact CD1-CE2 4.26Å; I136-Y146 WeakPolarHBondContact CD1-OH 3.37Å; I136-Y146 HydrophobicContact CG2-CD2 3.81Å; I136-Y146 HydrophobicContact CG2-CE2 3.74Å; I136-Y146 HydrophobicContact CG2-CG 4.26Å
137V95Very high94.6Very high25 Ų2562.7 Ų62.715%0.15229%0.292CS..  trans-96.7-17.1-176.1-63.80000114.2Y98 S135 H139 R140 K141 L209Y98-V137 PolarHBondContact OH-N 3.05Å; S135-V137 PolarHBondContact O-N 2.78Å; S135-V137 VanDerWaalsContact O-N 3.13Å; V137-H139 VanDerWaalsContact C-N 3.29Å; V137-H139 PolarHBondContact O-N 3.26Å; V137-R140 WeakPolarHBondContact O-CB 3.43Å; V137-R140 PolarHBondContact O-N 3.03Å; V137-K141 PolarHBondContact O-N 3.37Å; V137-L209 HydrophobicContact CB-CD2 3.82Å; V137-L209 HydrophobicContact CG1-CD2 3.91Å
138F95.8Very high94.9Very high21 Ų2154.3 Ų54.39%0.09226%0.256CS..Hα-helixtrans-58.8-39.6-171.2-176.1-99.7000113.2Y98 V101 P102 H105 R140 K141 K142 L144Y98-F138 HydrophobicContact CE2-CB 4.49Å; Y98-F138 WeakPolarHBondContact OH-CB 3.39Å; Y98-F138 PolarHBondContact OH-N 3.17Å; Y98-F138 VanDerWaalsContact OH-N 3.09Å; V101-F138 HydrophobicContact CG1-CD1 3.47Å; V101-F138 VanDerWaalsContact CG1-CD1 3.47Å; V101-F138 HydrophobicContact CG1-CE1 3.7Å; V101-F138 HydrophobicContact CG1-CG 4.12Å; V101-F138 HydrophobicContact CG1-CZ 4.5Å; P102-F138 HydrophobicContact CB-CD2 4.32Å; P102-F138 HydrophobicContact CB-CE2 3.69Å; P102-F138 HydrophobicContact CB-CZ 4.23Å; P102-F138 HydrophobicContact CG-CD2 3.78Å; P102-F138 HydrophobicContact CG-CE2 3.67Å; P102-F138 HydrophobicContact CG-CZ 4.42Å; H105-F138 HydrophobicContact CB-CE1 3.72Å; H105-F138 HydrophobicContact CB-CZ 3.58Å; H105-F138 AromaticContact CD2-CE1 3.93Å; H105-F138 AromaticContact CG-CE1 3.77Å; H105-F138 AromaticContact CG-CZ 3.59Å; H105-F138 AromaticContact ND1-CZ 3.93Å; F138-R140 VanDerWaalsContact C-N 3.27Å; F138-R140 PolarHBondContact O-N 2.69Å; F138-K141 PolarHBondContact O-N 3.04Å; F138-K142 HydrophobicContact CD1-CG 4.46Å; F138-K142 HydrophobicContact CD2-CG 4.45Å; F138-K142 HydrophobicContact CE1-CB 4.34Å; F138-K142 HydrophobicContact CE1-CG 3.87Å; F138-K142 HydrophobicContact CE2-CG 3.86Å; F138-K142 HydrophobicContact CZ-CB 4.47Å; F138-K142 HydrophobicContact CZ-CG 3.54Å; F138-K142 PolarHBondContact O-N 3.32Å; F138-K142 VanDerWaalsContact O-N 3.08Å; F138-L144 HydrophobicContact CD1-CD1 4.2Å; F138-L144 HydrophobicContact CE1-CD1 3.97Å
139H92.5Very high95.1Very high18 Ų1849.7 Ų49.78%0.08323%0.231CC..Hα-helixtrans-60.9-35.6179.573.4-81.7000112.5L119 I136 V137 K142 N143 L144L119-H139 HydrophobicContact CD2-CB 4.14Å; I136-H139 PolarHBondContact O-CE1 3.11Å; I136-H139 PolarHBondContact O-ND1 3.28Å; V137-H139 VanDerWaalsContact C-N 3.29Å; V137-H139 PolarHBondContact O-N 3.26Å; H139-K142 PolarHBondContact O-N 3.36Å; H139-N143 CarbonylContact O-C 3.58Å; H139-N143 WeakPolarHBondContact O-CA 3.4Å; H139-N143 PolarHBondContact O-N 2.86Å; H139-L144 HydrophobicContact CB-CB 4.02Å; H139-L144 PolarHBondContact O-N 3.25Å
140R91.6Very high95.1Very high82 Ų8248.9 Ų48.931%0.30923%0.228SC..Hα-helixtrans-69.4-43.6176.5-62.5175.662.7-169.21.2111.1V137 F138 K142 N143 A204 T207 L209V137-R140 WeakPolarHBondContact O-CB 3.43Å; V137-R140 PolarHBondContact O-N 3.03Å; F138-R140 VanDerWaalsContact C-N 3.27Å; F138-R140 PolarHBondContact O-N 2.69Å; R140-K142 PolarHBondContact O-N 2.86Å; R140-N143 PolarHBondContact O-N 2.82Å; R140-A204 PolarHBondContact NH1-O 2.65Å; R140-T207 VanDerWaalsContact CZ-O 3.25Å; R140-T207 PolarHBondContact NH1-O 3.38Å; R140-T207 PolarHBondContact NH2-O 3.43Å; R140-L209 HydrophobicContact CB-CD1 4.09Å; R140-L209 HydrophobicContact CB-CD2 4.04Å
141K91.1Very high94.9Very high65 Ų6545 Ų4528%0.28321%0.212SC..Hα-helixtrans-62.8-29.1178-64.3-170.7176.8-169.50113.1V137 F138 L209 D215V137-K141 PolarHBondContact O-N 3.37Å; F138-K141 PolarHBondContact O-N 3.04Å; K141-L209 HydrophobicContact CG-CD1 4.44Å; K141-D215 IonicContact NZ-OD2 2.86Å; K141-D215 PolarHBondContact NZ-OD2 3.21Å
142K94.2Very high94.6Very high108 Ų10848.2 Ų48.247%0.4723%0.226SC..Hα-helixtrans-111.47.5-177.2-61.8-57.2-179.2-170.70114.6F138 H139 R140 L144F138-K142 HydrophobicContact CD1-CG 4.46Å; F138-K142 HydrophobicContact CD2-CG 4.45Å; F138-K142 HydrophobicContact CE1-CB 4.34Å; F138-K142 HydrophobicContact CE1-CG 3.87Å; F138-K142 HydrophobicContact CE2-CG 3.86Å; F138-K142 HydrophobicContact CZ-CB 4.47Å; F138-K142 HydrophobicContact CZ-CG 3.54Å; F138-K142 PolarHBondContact O-N 3.32Å; F138-K142 VanDerWaalsContact O-N 3.08Å; H139-K142 PolarHBondContact O-N 3.36Å; R140-K142 PolarHBondContact O-N 2.86Å; K142-L144 VanDerWaalsContact C-N 3.3Å; K142-L144 HydrophobicContact CB-CD1 4.19Å; K142-L144 HydrophobicContact CB-CD2 4.14Å; K142-L144 HydrophobicContact CB-CG 3.82Å; K142-L144 WeakPolarHBondContact O-CD2 3.46Å; K142-L144 PolarHBondContact O-N 3.01Å
143N93.1Very high94.5Very high150 Ų15043.2 Ų43.280%0.80221%0.205SC*.THydrogen-bonded Turntrans54.642.3-177.7-162.129.3000113.9H139 R140H139-N143 CarbonylContact O-C 3.58Å; H139-N143 WeakPolarHBondContact O-CA 3.4Å; H139-N143 PolarHBondContact O-N 2.86Å; R140-N143 PolarHBondContact O-N 2.82Å
144L96.9Very high94.3Very high18 Ų1844.4 Ų44.49%0.09421%0.211CC..  trans-96.4151.3176.8-45.5-174.8000110.3I117 F138 H139 K142I117-L144 HydrophobicContact CB-CD2 3.86Å; I117-L144 HydrophobicContact CD1-CD2 4.42Å; I117-L144 HydrophobicContact CG2-CD1 4.17Å; I117-L144 HydrophobicContact CG2-CD2 4.33Å; F138-L144 HydrophobicContact CD1-CD1 4.2Å; F138-L144 HydrophobicContact CE1-CD1 3.97Å; H139-L144 HydrophobicContact CB-CB 4.02Å; H139-L144 PolarHBondContact O-N 3.25Å; K142-L144 VanDerWaalsContact C-N 3.3Å; K142-L144 HydrophobicContact CB-CD1 4.19Å; K142-L144 HydrophobicContact CB-CD2 4.14Å; K142-L144 HydrophobicContact CB-CG 3.82Å; K142-L144 WeakPolarHBondContact O-CD2 3.46Å; K142-L144 PolarHBondContact O-N 3.01Å
145Q97.1Very high94.4Very high50 Ų5037.9 Ų37.923%0.23418%0.182CC..EExtended strand (participates in β ladder)trans-78.9139.8167.1-175.561.542.200110.2I117 V118 L119 Y147 W163I117-Q145 PolarHBondContact O-N 2.92Å; V118-Q145 CarbonylContact C-O 3.57Å; V118-Q145 WeakPolarHBondContact CA-O 3.45Å; V118-Q145 HydrophobicContact CG2-CB 4.37Å; L119-Q145 PolarHBondContact N-O 2.99Å; Q145-Y147 HydrophobicContact CG-CD2 4.07Å; Q145-Y147 HydrophobicContact CG-CE1 4.48Å; Q145-Y147 HydrophobicContact CG-CE2 3.4Å; Q145-W163 HydrophobicContact CB-CD2 3.71Å; Q145-W163 VanDerWaalsContact CB-CE2 3.44Å; Q145-W163 HydrophobicContact CB-CE3 4.13Å; Q145-W163 HydrophobicContact CB-CG 4.16Å; Q145-W163 HydrophobicContact CB-CH2 4.07Å; Q145-W163 HydrophobicContact CB-CZ2 3.65Å; Q145-W163 HydrophobicContact CB-CZ3 4.29Å; Q145-W163 HydrophobicContact CG-CD2 4.01Å; Q145-W163 HydrophobicContact CG-CG 3.89Å
146Y98.1Very high94.5Very high6 Ų636.3 Ų36.32%0.02417%0.169CC..EExtended strand (participates in β ladder)trans-111.4140.5173.5179.3-100.9000111.9F90 L119 I136 D148 L201F90-Y146 AromaticContact CE1-CE2 3.7Å; F90-Y146 HydrophobicContact CE1-CE2 3.7Å; F90-Y146 AromaticContact CZ-CE2 3.78Å; F90-Y146 HydrophobicContact CZ-CE2 3.78Å; L119-Y146 HydrophobicContact CB-CD2 4.15Å; L119-Y146 HydrophobicContact CD2-CD2 3.96Å; L119-Y146 HydrophobicContact CD2-CE2 4.48Å; L119-Y146 HydrophobicContact CG-CD2 3.9Å; L119-Y146 HydrophobicContact CG-CE2 4.34Å; L119-Y146 WeakPolarHBondContact O-CA 3.49Å; L119-Y146 VanDerWaalsContact O-CD2 3.27Å; L119-Y146 WeakPolarHBondContact O-CD2 3.33Å; I136-Y146 HydrophobicContact CD1-CE1 4.3Å; I136-Y146 HydrophobicContact CD1-CE2 4.26Å; I136-Y146 WeakPolarHBondContact CD1-OH 3.37Å; I136-Y146 HydrophobicContact CG2-CD2 3.81Å; I136-Y146 HydrophobicContact CG2-CE2 3.74Å; I136-Y146 HydrophobicContact CG2-CG 4.26Å; Y146-D148 WeakPolarHBondContact CE1-OD1 3.5Å; Y146-D148 VanDerWaalsContact CZ-OD1 3.27Å; Y146-D148 PolarHBondContact OH-OD1 3.22Å; Y146-L201 HydrophobicContact CD1-CD1 4.16Å; Y146-L201 HydrophobicContact CD1-CD2 3.6Å; Y146-L201 HydrophobicContact CE1-CD1 3.85Å; Y146-L201 HydrophobicContact CE1-CD2 3.42Å; Y146-L201 VanDerWaalsContact CE1-CD2 3.42Å; Y146-L201 HydrophobicContact CE1-CG 4.29Å
147Y98.1Very high94.3Very high46 Ų4636.2 Ų36.218%0.1817%0.169CC..EExtended strand (participates in β ladder)trans-137.3134.2165.9-66.6-65.4000111.8V118 L119 C120 G121 Q145 K159 P160 W163V118-Y147 HydrophobicContact CG1-CD2 3.73Å; V118-Y147 HydrophobicContact CG1-CE2 4.27Å; L119-Y147 PolarHBondContact O-N 2.83Å; C120-Y147 WeakPolarHBondContact CA-O 3.32Å; G121-Y147 PolarHBondContact N-O 2.7Å; Q145-Y147 HydrophobicContact CG-CD2 4.07Å; Q145-Y147 HydrophobicContact CG-CE1 4.48Å; Q145-Y147 HydrophobicContact CG-CE2 3.4Å; Y147-K159 HydrophobicContact CD1-CB 3.93Å; Y147-K159 HydrophobicContact CD1-CD 3.84Å; Y147-K159 HydrophobicContact CD2-CB 4.08Å; Y147-K159 HydrophobicContact CE1-CB 3.9Å; Y147-K159 HydrophobicContact CE1-CD 3.81Å; Y147-K159 HydrophobicContact CE1-CG 4.43Å; Y147-K159 HydrophobicContact CE2-CB 4.03Å; Y147-K159 HydrophobicContact CG-CB 4.04Å; Y147-P160 HydrophobicContact CD2-CG 4.13Å; Y147-W163 HydrophobicContact CE2-CB 4.05Å
148D98Very high94.2Very high2 Ų237.6 Ų37.61%0.01117%0.173CC..EExtended strand (participates in β ladder)trans-71129.8157.2-89-6.9000108.6V124 R129 Y146 Y155 N156 L201V124-D148 HydrophobicContact CG1-CB 3.85Å; R129-D148 IonicContact CZ-OD1 3.52Å; R129-D148 IonicContact CZ-OD2 2.68Å; R129-D148 IonicContact NH1-OD1 2.65Å; R129-D148 IonicContact NH1-OD2 3.06Å; R129-D148 PolarHBondContact NH1-OD2 3.32Å; R129-D148 IonicContact NH2-OD1 2.62Å; R129-D148 PolarHBondContact NH2-OD1 3.27Å; R129-D148 IonicContact NH2-OD2 3.24Å; R129-D148 PolarHBondContact NH2-OD2 3.42Å; Y146-D148 WeakPolarHBondContact CE1-OD1 3.5Å; Y146-D148 VanDerWaalsContact CZ-OD1 3.27Å; Y146-D148 PolarHBondContact OH-OD1 3.22Å; D148-Y155 HydrophobicContact CB-CE1 4.23Å; D148-N156 WeakPolarHBondContact O-CB 3.45Å; D148-N156 PolarHBondContact O-ND2 3.43Å; D148-L201 HydrophobicContact CB-CD1 4.32Å
149I97.7Very high94.2Very high0 Ų039.5 Ų39.50%018%0.182CC..  trans-134.6158.3177.667.7168.6000111.2F26 M89 C120 G121 N122 K123 V124 Y155 N156 P160F26-I149 HydrophobicContact CD2-CD1 3.67Å; F26-I149 HydrophobicContact CE2-CD1 3.67Å; F26-I149 HydrophobicContact CZ-CD1 4.48Å; M89-I149 HydrophobicContact CE-CD1 3.73Å; C120-I149 HydrophobicContact CB-CD1 3.73Å; C120-I149 HydrophobicContact CB-CG1 4.11Å; G121-I149 PolarHBondContact O-N 3.37Å; N122-I149 CarbonylContact C-O 3.51Å; N122-I149 WeakPolarHBondContact CA-O 3.17Å; N122-I149 HydrophobicContact CB-CD1 4.17Å; N122-I149 HydrophobicContact CB-CG1 3.91Å; N122-I149 PolarHBondContact OD1-O 3.27Å; K123-I149 PolarHBondContact N-O 3.15Å; V124-I149 WeakPolarHBondContact CG2-O 3.14Å; V124-I149 PolarHBondContact N-O 3.45Å; I149-Y155 WeakPolarHBondContact CA-O 3.45Å; I149-N156 HydrophobicContact CG2-CB 4.16Å; I149-P160 HydrophobicContact CG2-CG 4.26Å
150S96.3Very high94.4Very high0 Ų038.6 Ų38.60%018%0.178CC..BIsolated β-bridgetrans-136.4109.1163.7165.50000110D125 K152 S153 N154 Y155D125-S150 VanDerWaalsContact CG-OG 3.24Å; D125-S150 WeakPolarHBondContact OD1-CB 3.32Å; D125-S150 PolarHBondContact OD1-OG 3.34Å; S150-K152 PolarHBondContact O-N 3.08Å; S150-K152 VanDerWaalsContact O-N 3.1Å; S150-K152 PolarHBondContact OG-N 3.2Å; S150-S153 WeakPolarHBondContact CB-OG 3.08Å; S150-S153 PolarHBondContact O-N 3.09Å; S150-S153 PolarHBondContact OG-N 3.4Å; S150-S153 VanDerWaalsContact OG-N 3.16Å; S150-S153 PolarHBondContact OG-OG 2.85Å; S150-N154 PolarHBondContact O-N 2.88Å; S150-Y155 PolarHBondContact N-O 3.46Å; S150-Y155 VanDerWaalsContact N-O 3.08Å; S150-Y155 PolarHBondContact O-N 3.25Å
151A92.9Very high94.7Very high2 Ų234.7 Ų34.72%0.01716%0.163CC..THydrogen-bonded Turntrans-61.4-14.9171.200000112.5T25 F26 R29 F35 N122 F157T25-A151 HydrophobicContact CG2-CB 4.26Å; F26-A151 HydrophobicContact CB-CB 4.22Å; R29-A151 WeakPolarHBondContact CD-O 3.43Å; R29-A151 PolarHBondContact NE-O 3.46Å; R29-A151 PolarHBondContact NH1-O 3.03Å; F35-A151 WeakPolarHBondContact CD2-O 3.39Å; N122-A151 PolarHBondContact OD1-N 2.99Å; A151-F157 HydrophobicContact CB-CE2 4.47Å
152K91.2Very high95.1Very high70 Ų7033.1 Ų33.130%0.30416%0.157SC..THydrogen-bonded Turntrans-86.9-30.9178.5-159.8-178.9-178.9-166.90113.3R29 F35 D125 S150 E186 V187R29-K152 VanDerWaalsContact NH1-CA 3.34Å; R29-K152 PolarHBondContact NH1-O 3.36Å; F35-K152 HydrophobicContact CD2-CB 4.37Å; F35-K152 HydrophobicContact CD2-CG 4.27Å; F35-K152 HydrophobicContact CE1-CD 4.46Å; F35-K152 HydrophobicContact CE1-CG 4.04Å; F35-K152 HydrophobicContact CE2-CB 3.68Å; F35-K152 HydrophobicContact CE2-CG 3.72Å; F35-K152 HydrophobicContact CZ-CB 3.96Å; F35-K152 HydrophobicContact CZ-CD 4.12Å; F35-K152 HydrophobicContact CZ-CG 3.6Å; D125-K152 WeakPolarHBondContact OD2-CD 3.3Å; S150-K152 PolarHBondContact O-N 3.08Å; S150-K152 VanDerWaalsContact O-N 3.1Å; S150-K152 PolarHBondContact OG-N 3.2Å; K152-E186 HydrophobicContact CG-CB 4Å; K152-E186 PolarHBondContact O-N 2.98Å; K152-E186 VanDerWaalsContact O-N 3.14Å; K152-V187 HydrophobicContact CB-CG2 4.07Å; K152-V187 HydrophobicContact CD-CB 4.48Å; K152-V187 HydrophobicContact CD-CG1 4.03Å; K152-V187 HydrophobicContact CD-CG2 3.65Å; K152-V187 HydrophobicContact CG-CG2 3.73Å
153S90.9Very high95.3Very high12 Ų1230 Ų308%0.08414%0.143CC..THydrogen-bonded Turntrans-111.20.3-175.762.60000114.8S150 Y155 V187S150-S153 WeakPolarHBondContact CB-OG 3.08Å; S150-S153 PolarHBondContact O-N 3.09Å; S150-S153 PolarHBondContact OG-N 3.4Å; S150-S153 VanDerWaalsContact OG-N 3.16Å; S150-S153 PolarHBondContact OG-OG 2.85Å; S153-Y155 PolarHBondContact O-N 3.24Å; S153-Y155 WeakPolarHBondContact OG-CB 3.26Å; S153-Y155 PolarHBondContact OG-N 3Å; S153-V187 VanDerWaalsContact CA-O 3.22Å; S153-V187 WeakPolarHBondContact CA-O 3.37Å; S153-V187 WeakPolarHBondContact CB-O 3.49Å
154N91Very high95.5Very high31 Ų3122.9 Ų22.917%0.16611%0.105CC..THydrogen-bonded Turntrans61.814.8-168.8-61.6-39.2000114.1R29 S150 N156 F157 L182 A183R29-N154 WeakPolarHBondContact CD-OD1 3.35Å; R29-N154 PolarHBondContact NE-OD1 3.16Å; R29-N154 PolarHBondContact NH2-ND2 3.39Å; S150-N154 PolarHBondContact O-N 2.88Å; N154-N156 PolarHBondContact O-N 2.74Å; N154-F157 HydrophobicContact CB-CB 4.48Å; N154-F157 WeakPolarHBondContact O-CB 3.22Å; N154-F157 PolarHBondContact O-N 2.85Å; N154-L182 HydrophobicContact CB-CD1 4.3Å; N154-A183 PolarHBondContact ND2-O 2.92Å
155Y94.1Very high95.6Very high35 Ų3522 Ų2214%0.13710%0.1CC..BIsolated β-bridgetrans-66124.7-179.7-178.2-108.8000111.3V124 D148 I149 S150 S153 F157 M189 A194V124-Y155 HydrophobicContact CG2-CD1 3.67Å; V124-Y155 HydrophobicContact CG2-CE1 4.16Å; D148-Y155 HydrophobicContact CB-CE1 4.23Å; I149-Y155 WeakPolarHBondContact CA-O 3.45Å; S150-Y155 PolarHBondContact N-O 3.46Å; S150-Y155 VanDerWaalsContact N-O 3.08Å; S150-Y155 PolarHBondContact O-N 3.25Å; S153-Y155 PolarHBondContact O-N 3.24Å; S153-Y155 WeakPolarHBondContact OG-CB 3.26Å; S153-Y155 PolarHBondContact OG-N 3Å; Y155-F157 PolarHBondContact O-N 3.11Å; Y155-M189 HydrophobicContact CD2-CG 4.09Å; Y155-M189 HydrophobicContact CG-CG 4.12Å; Y155-A194 HydrophobicContact CD2-CB 4.35Å; Y155-A194 HydrophobicContact CE2-CB 3.61Å
156N94.2Very high95.6Very high19 Ų1923.5 Ų23.510%0.10210%0.104CC..THydrogen-bonded Turntrans53.127.9-178.5-68.7-25.4000114.5D148 I149 N154 E158 K159 P160D148-N156 WeakPolarHBondContact O-CB 3.45Å; D148-N156 PolarHBondContact O-ND2 3.43Å; I149-N156 HydrophobicContact CG2-CB 4.16Å; N154-N156 PolarHBondContact O-N 2.74Å; N156-E158 VanDerWaalsContact C-N 3.33Å; N156-E158 PolarHBondContact O-N 3.35Å; N156-K159 HydrophobicContact CB-CB 4.44Å; N156-K159 HydrophobicContact CB-CD 3.88Å; N156-K159 HydrophobicContact CB-CG 4.15Å; N156-K159 PolarHBondContact O-N 3.1Å; N156-K159 WeakPolarHBondContact OD1-CD 3.02Å; N156-K159 WeakPolarHBondContact OD1-CE 3.14Å; N156-K159 PolarHBondContact OD1-NZ 2.64Å; N156-P160 VanDerWaalsContact O-CD 3.3Å; N156-P160 WeakPolarHBondContact O-CD 3.44Å
157F89.6Confident95.6Very high1 Ų129.1 Ų29.10%0.00413%0.128CC..  trans-63.8-38.3-167.8-161-125.5000112.9F26 R29 H30 A151 N154 Y155 L182F26-F157 HydrophobicContact CB-CE2 4.46Å; F26-F157 AromaticContact CD2-CD2 3.58Å; F26-F157 HydrophobicContact CD2-CD2 3.58Å; F26-F157 AromaticContact CD2-CE2 3.26Å; F26-F157 HydrophobicContact CD2-CE2 3.26Å; F26-F157 HydrophobicContact CD2-CZ 4.26Å; F26-F157 AromaticContact CE2-CD2 3.5Å; F26-F157 HydrophobicContact CE2-CD2 3.5Å; F26-F157 AromaticContact CE2-CE2 3.62Å; F26-F157 HydrophobicContact CE2-CE2 3.62Å; F26-F157 HydrophobicContact CE2-CG 4.36Å; F26-F157 HydrophobicContact CG-CE2 4.01Å; F26-F157 WeakPolarHBondContact O-CZ 3.08Å; R29-F157 HydrophobicContact CB-CE1 4.3Å; R29-F157 HydrophobicContact CB-CE2 4.39Å; R29-F157 HydrophobicContact CB-CZ 3.59Å; R29-F157 HydrophobicContact CG-CE1 4Å; R29-F157 HydrophobicContact CG-CE2 4.42Å; R29-F157 HydrophobicContact CG-CZ 3.65Å; H30-F157 HydrophobicContact CB-CE1 4.15Å; H30-F157 HydrophobicContact CB-CZ 4.43Å; H30-F157 AromaticContact CD2-CD1 3.74Å; H30-F157 AromaticContact CD2-CE1 3.5Å; H30-F157 VanDerWaalsContact CD2-CE1 3.5Å; H30-F157 WeakPolarHBondContact CD2-CE1 3.45Å; H30-F157 AromaticContact CE1-CD1 3.12Å; H30-F157 WeakPolarHBondContact CE1-CD1 2.9Å; H30-F157 AromaticContact CE1-CD2 3.61Å; H30-F157 AromaticContact CE1-CE1 2.98Å; H30-F157 WeakPolarHBondContact CE1-CE1 3.37Å; H30-F157 AromaticContact CE1-CE2 3.46Å; H30-F157 VanDerWaalsContact CE1-CE2 3.46Å; H30-F157 WeakPolarHBondContact CE1-CE2 3.4Å; H30-F157 AromaticContact CE1-CG 3.43Å; H30-F157 VanDerWaalsContact CE1-CG 3.43Å; H30-F157 WeakPolarHBondContact CE1-CG 3.36Å; H30-F157 AromaticContact CE1-CZ 3.14Å; H30-F157 WeakPolarHBondContact CE1-CZ 3.38Å; H30-F157 PolarHBondContact CE1-O 3Å; H30-F157 AromaticContact CG-CE1 3.3Å; H30-F157 AromaticContact CG-CZ 3.67Å; H30-F157 AromaticContact ND1-CD1 3.7Å; H30-F157 AromaticContact ND1-CE1 3.02Å; H30-F157 WeakPolarHBondContact ND1-CE1 3.46Å; H30-F157 AromaticContact ND1-CE2 3.63Å; H30-F157 AromaticContact ND1-CZ 2.95Å; H30-F157 WeakPolarHBondContact ND1-CZ 3.47Å; H30-F157 AromaticContact NE2-CD1 3.17Å; H30-F157 WeakPolarHBondContact NE2-CD1 3.15Å; H30-F157 AromaticContact NE2-CE1 3.32Å; H30-F157 VanDerWaalsContact NE2-CE1 3.32Å; H30-F157 WeakPolarHBondContact NE2-CE1 3.43Å; H30-F157 AromaticContact NE2-CG 3.74Å; H30-F157 AromaticContact NE2-CZ 3.96Å; H30-F157 PolarHBondContact NE2-O 3.2Å; A151-F157 HydrophobicContact CB-CE2 4.47Å; N154-F157 HydrophobicContact CB-CB 4.48Å; N154-F157 WeakPolarHBondContact O-CB 3.22Å; N154-F157 PolarHBondContact O-N 2.85Å; Y155-F157 PolarHBondContact O-N 3.11Å; F157-L182 HydrophobicContact CD1-CD1 3.65Å; F157-L182 HydrophobicContact CD1-CD2 3.95Å; F157-L182 HydrophobicContact CD1-CG 4.48Å; F157-L182 HydrophobicContact CE1-CD1 4.13Å; F157-L182 HydrophobicContact CE1-CD2 3.57Å
158E92.7Very high95.6Very high53 Ų5329 Ų2925%0.24813%0.13CC..SBendtrans-82.7-20.9179.568.4-72.8159.600114.5N156 F161 L162 F176N156-E158 VanDerWaalsContact C-N 3.33Å; N156-E158 PolarHBondContact O-N 3.35Å; E158-F161 PolarHBondContact O-N 3.44Å; E158-F161 VanDerWaalsContact O-N 3.14Å; E158-L162 PolarHBondContact O-N 3.07Å; E158-F176 HydrophobicContact CB-CD2 4.01Å; E158-F176 HydrophobicContact CB-CE2 3.96Å; E158-F176 HydrophobicContact CG-CD2 4.46Å
159K96.4Very high95.6Very high61 Ų6132.1 Ų32.127%0.26515%0.146SC..Hα-helixtrans-57.2-43.9-172.6-68.5-167.9176.6166.90113.6Y147 N156 F161 L162 W163Y147-K159 HydrophobicContact CD1-CB 3.93Å; Y147-K159 HydrophobicContact CD1-CD 3.84Å; Y147-K159 HydrophobicContact CD2-CB 4.08Å; Y147-K159 HydrophobicContact CE1-CB 3.9Å; Y147-K159 HydrophobicContact CE1-CD 3.81Å; Y147-K159 HydrophobicContact CE1-CG 4.43Å; Y147-K159 HydrophobicContact CE2-CB 4.03Å; Y147-K159 HydrophobicContact CG-CB 4.04Å; N156-K159 HydrophobicContact CB-CB 4.44Å; N156-K159 HydrophobicContact CB-CD 3.88Å; N156-K159 HydrophobicContact CB-CG 4.15Å; N156-K159 PolarHBondContact O-N 3.1Å; N156-K159 WeakPolarHBondContact OD1-CD 3.02Å; N156-K159 WeakPolarHBondContact OD1-CE 3.14Å; N156-K159 PolarHBondContact OD1-NZ 2.64Å; K159-F161 PolarHBondContact O-N 3.31Å; K159-L162 PolarHBondContact O-N 3.27Å; K159-W163 PolarHBondContact O-N 3.4Å
160P98.1Very high95.6Very high0 Ų035.1 Ų35.10%018%0.177CC..Hα-helixtrans-58.1-46.3176-26.136000112.7F26 I87 V118 C120 Y147 I149 N156 W163 L164F26-P160 HydrophobicContact CZ-CG 4.41Å; I87-P160 HydrophobicContact CD1-CB 3.78Å; I87-P160 HydrophobicContact CG1-CB 4.44Å; V118-P160 HydrophobicContact CB-CB 4.47Å; V118-P160 HydrophobicContact CG1-CB 4.02Å; V118-P160 HydrophobicContact CG1-CG 4.42Å; C120-P160 VanDerWaalsContact SG-CG 3.51Å; Y147-P160 HydrophobicContact CD2-CG 4.13Å; I149-P160 HydrophobicContact CG2-CG 4.26Å; N156-P160 VanDerWaalsContact O-CD 3.3Å; N156-P160 WeakPolarHBondContact O-CD 3.44Å; P160-W163 PolarHBondContact O-N 3.1Å; P160-L164 WeakPolarHBondContact O-CB 3.47Å; P160-L164 VanDerWaalsContact O-CG 3.26Å; P160-L164 WeakPolarHBondContact O-CG 3.45Å; P160-L164 PolarHBondContact O-N 2.81Å
161F97.6Very high95.7Very high0 Ų036.4 Ų36.40%018%0.184CC..Hα-helixtrans-67.8-39.5-179.1-67.6-80.8000112.1L13 F26 H30 L50 F52 F61 V63 I87 E158 K159 L164 A165 F176L13-F161 HydrophobicContact CD1-CD1 4.12Å; L13-F161 HydrophobicContact CD1-CE1 3.8Å; F26-F161 AromaticContact CE1-CE2 3.47Å; F26-F161 HydrophobicContact CE1-CE2 3.47Å; F26-F161 VanDerWaalsContact CE1-CE2 3.47Å; F26-F161 AromaticContact CE1-CZ 3.77Å; F26-F161 HydrophobicContact CE1-CZ 3.77Å; F26-F161 HydrophobicContact CZ-CD2 4.26Å; F26-F161 AromaticContact CZ-CE2 3.48Å; F26-F161 HydrophobicContact CZ-CE2 3.48Å; F26-F161 VanDerWaalsContact CZ-CE2 3.48Å; F26-F161 HydrophobicContact CZ-CZ 4.25Å; H30-F161 AromaticContact CD2-CE2 3.99Å; H30-F161 AromaticContact CE1-CD2 3.92Å; H30-F161 AromaticContact CE1-CE2 3.3Å; H30-F161 WeakPolarHBondContact CE1-CE2 3.4Å; H30-F161 AromaticContact ND1-CE2 3.76Å; H30-F161 AromaticContact NE2-CD2 3.62Å; H30-F161 AromaticContact NE2-CE2 3.42Å; H30-F161 WeakPolarHBondContact NE2-CE2 3.34Å; L50-F161 HydrophobicContact CD1-CE1 3.97Å; L50-F161 HydrophobicContact CD1-CZ 3.67Å; F52-F161 HydrophobicContact CD2-CB 4.5Å; F52-F161 HydrophobicContact CD2-CD1 4.45Å; F52-F161 HydrophobicContact CE1-CB 3.99Å; F52-F161 HydrophobicContact CE1-CD2 4.17Å; F52-F161 HydrophobicContact CE1-CG 4.05Å; F52-F161 HydrophobicContact CE2-CB 3.99Å; F52-F161 AromaticContact CE2-CD1 3.49Å; F52-F161 HydrophobicContact CE2-CD1 3.49Å; F52-F161 VanDerWaalsContact CE2-CD1 3.49Å; F52-F161 HydrophobicContact CE2-CD2 4.26Å; F52-F161 AromaticContact CE2-CE1 3.94Å; F52-F161 HydrophobicContact CE2-CE1 3.94Å; F52-F161 AromaticContact CE2-CG 3.65Å; F52-F161 HydrophobicContact CE2-CG 3.65Å; F52-F161 HydrophobicContact CZ-CB 3.71Å; F52-F161 AromaticContact CZ-CD1 3.64Å; F52-F161 HydrophobicContact CZ-CD1 3.64Å; F52-F161 AromaticContact CZ-CD2 3.53Å; F52-F161 HydrophobicContact CZ-CD2 3.53Å; F52-F161 HydrophobicContact CZ-CE1 4.08Å; F52-F161 AromaticContact CZ-CE2 3.99Å; F52-F161 HydrophobicContact CZ-CE2 3.99Å; F52-F161 AromaticContact CZ-CG 3.33Å; F52-F161 HydrophobicContact CZ-CG 3.33Å; F52-F161 HydrophobicContact CZ-CZ 4.24Å; F61-F161 HydrophobicContact CB-CD1 4.44Å; F61-F161 HydrophobicContact CB-CE1 4.29Å; F61-F161 AromaticContact CD2-CD1 3.65Å; F61-F161 HydrophobicContact CD2-CD1 3.65Å; F61-F161 HydrophobicContact CD2-CE1 4.32Å; F61-F161 HydrophobicContact CE2-CB 4.3Å; F61-F161 HydrophobicContact CE2-CD1 4Å; F61-F161 HydrophobicContact CG-CD1 4.01Å; F61-F161 HydrophobicContact CG-CE1 4.32Å; V63-F161 HydrophobicContact CG2-CE1 4.07Å; V63-F161 HydrophobicContact CG2-CZ 4.44Å; I87-F161 HydrophobicContact CD1-CZ 4.41Å; E158-F161 PolarHBondContact O-N 3.44Å; E158-F161 VanDerWaalsContact O-N 3.14Å; K159-F161 PolarHBondContact O-N 3.31Å; F161-L164 PolarHBondContact O-N 2.99Å; F161-A165 VanDerWaalsContact O-CB 3.27Å; F161-A165 WeakPolarHBondContact O-CB 3.49Å; F161-A165 PolarHBondContact O-N 3.18Å; F161-F176 HydrophobicContact CB-CE2 4.18Å; F161-F176 HydrophobicContact CB-CZ 3.94Å
162L97.8Very high95.9Very high31 Ų3140.7 Ų40.716%0.16221%0.212CC..Hα-helixtrans-63.7-45.9178-176.560.2000111.5E158 K159 A165 R166 L174 F176E158-L162 PolarHBondContact O-N 3.07Å; K159-L162 PolarHBondContact O-N 3.27Å; L162-A165 PolarHBondContact O-N 3.42Å; L162-R166 VanDerWaalsContact O-CG 3.32Å; L162-R166 WeakPolarHBondContact O-CG 3.4Å; L162-R166 PolarHBondContact O-N 3.16Å; L162-L174 HydrophobicContact CD1-CD2 3.68Å; L162-F176 HydrophobicContact CB-CD2 4.38Å; L162-F176 HydrophobicContact CB-CE2 3.85Å; L162-F176 HydrophobicContact CB-CZ 3.95Å; L162-F176 HydrophobicContact CD1-CD1 3.9Å; L162-F176 HydrophobicContact CD1-CD2 4.39Å; L162-F176 HydrophobicContact CD1-CE1 3.91Å; L162-F176 HydrophobicContact CD1-CE2 4.39Å; L162-F176 HydrophobicContact CD1-CG 4.16Å; L162-F176 HydrophobicContact CD1-CZ 4.17Å
163W98.5Very high96.2Very high44 Ų4442.4 Ų42.417%0.16722%0.224CC..Hα-helixtrans-63.1-43.9177.6-174.596.8000111.7P116 V118 Q145 Y147 K159 P160 R166 K167P116-W163 HydrophobicContact CB-CH2 4.31Å; P116-W163 HydrophobicContact CB-CZ3 3.81Å; V118-W163 HydrophobicContact CG2-CD2 4.23Å; V118-W163 HydrophobicContact CG2-CE3 3.42Å; V118-W163 VanDerWaalsContact CG2-CE3 3.42Å; V118-W163 HydrophobicContact CG2-CZ3 3.85Å; Q145-W163 HydrophobicContact CB-CD2 3.71Å; Q145-W163 VanDerWaalsContact CB-CE2 3.44Å; Q145-W163 HydrophobicContact CB-CE3 4.13Å; Q145-W163 HydrophobicContact CB-CG 4.16Å; Q145-W163 HydrophobicContact CB-CH2 4.07Å; Q145-W163 HydrophobicContact CB-CZ2 3.65Å; Q145-W163 HydrophobicContact CB-CZ3 4.29Å; Q145-W163 HydrophobicContact CG-CD2 4.01Å; Q145-W163 HydrophobicContact CG-CG 3.89Å; Y147-W163 HydrophobicContact CE2-CB 4.05Å; K159-W163 PolarHBondContact O-N 3.4Å; P160-W163 PolarHBondContact O-N 3.1Å; W163-R166 PolarHBondContact O-N 3.21Å; W163-K167 HydrophobicContact CD2-CG 4Å; W163-K167 HydrophobicContact CE3-CG 3.98Å; W163-K167 HydrophobicContact CH2-CD 4.44Å; W163-K167 HydrophobicContact CH2-CG 3.83Å; W163-K167 HydrophobicContact CZ2-CD 4.19Å; W163-K167 HydrophobicContact CZ2-CG 3.82Å; W163-K167 HydrophobicContact CZ3-CG 3.9Å; W163-K167 WeakPolarHBondContact O-CG 3.29Å; W163-K167 PolarHBondContact O-N 3.49Å
164L98.6Very high96.5Very high0 Ų041.9 Ų41.90%022%0.22CC..Hα-helixtrans-61.3-46.3175.7-73.3176.2000111.6L13 F61 C85 I87 P116 V118 P160 F161 R166 K167 L168L13-L164 HydrophobicContact CD1-CD1 3.53Å; L13-L164 HydrophobicContact CG-CD1 4.42Å; F61-L164 HydrophobicContact CE1-CB 4.21Å; F61-L164 HydrophobicContact CZ-CB 4.13Å; C85-L164 HydrophobicContact CB-CD1 4.2Å; C85-L164 HydrophobicContact CB-CD2 3.68Å; C85-L164 HydrophobicContact CB-CG 4.4Å; I87-L164 HydrophobicContact CD1-CD1 4.29Å; I87-L164 HydrophobicContact CG1-CD1 3.93Å; P116-L164 HydrophobicContact CB-CD2 3.75Å; P116-L164 WeakPolarHBondContact O-CD2 3.49Å; V118-L164 HydrophobicContact CG2-CD1 4.25Å; V118-L164 HydrophobicContact CG2-CD2 3.85Å; V118-L164 HydrophobicContact CG2-CG 3.73Å; P160-L164 WeakPolarHBondContact O-CB 3.47Å; P160-L164 VanDerWaalsContact O-CG 3.26Å; P160-L164 WeakPolarHBondContact O-CG 3.45Å; P160-L164 PolarHBondContact O-N 2.81Å; F161-L164 PolarHBondContact O-N 2.99Å; L164-R166 PolarHBondContact O-N 3.35Å; L164-K167 PolarHBondContact O-N 2.81Å; L164-L168 HydrophobicContact CB-CD1 4.42Å; L164-L168 WeakPolarHBondContact O-CB 3.44Å; L164-L168 WeakPolarHBondContact O-CD1 3.41Å; L164-L168 WeakPolarHBondContact O-CG 3.29Å; L164-L168 PolarHBondContact O-N 3.06Å
165A97.9Very high96.8Very high0 Ų045.9 Ų45.90%024%0.238CC..Hα-helixtrans-58.7-46.4177.200000111.5I59 F61 F161 L162 K167 L168 I169 L174I59-A165 HydrophobicContact CD1-CB 4.04Å; F61-A165 HydrophobicContact CE2-CB 4.42Å; F61-A165 HydrophobicContact CZ-CB 4.13Å; F161-A165 VanDerWaalsContact O-CB 3.27Å; F161-A165 WeakPolarHBondContact O-CB 3.49Å; F161-A165 PolarHBondContact O-N 3.18Å; L162-A165 PolarHBondContact O-N 3.42Å; A165-K167 VanDerWaalsContact C-N 3.33Å; A165-K167 PolarHBondContact O-N 3.01Å; A165-L168 PolarHBondContact O-N 3.22Å; A165-I169 VanDerWaalsContact O-CB 3.29Å; A165-I169 WeakPolarHBondContact O-CB 3.46Å; A165-I169 VanDerWaalsContact O-CG1 3.22Å; A165-I169 WeakPolarHBondContact O-CG1 3.5Å; A165-I169 PolarHBondContact O-N 2.97Å; A165-L174 HydrophobicContact CB-CD1 4.31Å; A165-L174 HydrophobicContact CB-CD2 3.89Å
166R98.4Very high96.8Very high81 Ų8146 Ų4631%0.30624%0.24SC..Hα-helixtrans-57.3-44.6175.5-73.5171.5174.1178.4-5.5112.1L162 W163 L164 G170 D171 P172 L174L162-R166 VanDerWaalsContact O-CG 3.32Å; L162-R166 WeakPolarHBondContact O-CG 3.4Å; L162-R166 PolarHBondContact O-N 3.16Å; W163-R166 PolarHBondContact O-N 3.21Å; L164-R166 PolarHBondContact O-N 3.35Å; R166-G170 WeakPolarHBondContact O-CA 3.34Å; R166-G170 PolarHBondContact O-N 3.23Å; R166-D171 WeakPolarHBondContact CG-O 3.22Å; R166-D171 PolarHBondContact O-N 3.2Å; R166-P172 PolarHBondContact NE-O 2.83Å; R166-L174 HydrophobicContact CG-CB 3.93Å; R166-L174 VanDerWaalsContact CZ-O 3.29Å; R166-L174 PolarHBondContact NE-O 3.18Å; R166-L174 PolarHBondContact NH2-O 3.36Å
167K98.2Very high96.8Very high123 Ų12349.8 Ų49.854%0.53526%0.263SS..Hα-helixtrans-68.3-41.7179.4-73.1-64.7-172.4179.70113P116 W163 L164 A165P116-K167 HydrophobicContact CB-CB 4Å; P116-K167 HydrophobicContact CB-CG 4.5Å; P116-K167 HydrophobicContact CG-CB 3.91Å; W163-K167 HydrophobicContact CD2-CG 4Å; W163-K167 HydrophobicContact CE3-CG 3.98Å; W163-K167 HydrophobicContact CH2-CD 4.44Å; W163-K167 HydrophobicContact CH2-CG 3.83Å; W163-K167 HydrophobicContact CZ2-CD 4.19Å; W163-K167 HydrophobicContact CZ2-CG 3.82Å; W163-K167 HydrophobicContact CZ3-CG 3.9Å; W163-K167 WeakPolarHBondContact O-CG 3.29Å; W163-K167 PolarHBondContact O-N 3.49Å; L164-K167 PolarHBondContact O-N 2.81Å; A165-K167 VanDerWaalsContact C-N 3.33Å; A165-K167 PolarHBondContact O-N 3.01Å
168L98Very high96.5Very high44 Ų4452.1 Ų52.123%0.2328%0.282CS..Hα-helixtrans-73.8-36-177.4-70163.7000112.7F11 F61 Q84 C85 P116 L164 A165F11-L168 HydrophobicContact CB-CD1 4.08Å; F11-L168 HydrophobicContact CD1-CB 4.26Å; F11-L168 HydrophobicContact CD1-CD1 3.92Å; F11-L168 HydrophobicContact CD1-CD2 4.05Å; F11-L168 HydrophobicContact CD1-CG 4.31Å; F11-L168 HydrophobicContact CD2-CB 4.45Å; F11-L168 HydrophobicContact CD2-CD1 3.82Å; F11-L168 HydrophobicContact CE1-CB 3.82Å; F11-L168 HydrophobicContact CE1-CD1 4.33Å; F11-L168 HydrophobicContact CE1-CD2 4.2Å; F11-L168 HydrophobicContact CE1-CG 4.34Å; F11-L168 HydrophobicContact CE2-CB 4Å; F11-L168 HydrophobicContact CE2-CD1 4.21Å; F11-L168 HydrophobicContact CG-CD1 3.67Å; F11-L168 HydrophobicContact CZ-CB 3.68Å; F11-L168 HydrophobicContact CZ-CD1 4.46Å; F61-L168 HydrophobicContact CE1-CD1 3.71Å; F61-L168 HydrophobicContact CZ-CD1 4.28Å; Q84-L168 HydrophobicContact CB-CD2 4.3Å; Q84-L168 WeakPolarHBondContact O-CD2 3.16Å; C85-L168 HydrophobicContact CB-CD1 3.98Å; C85-L168 HydrophobicContact CB-CD2 4.45Å; P116-L168 HydrophobicContact CG-CD2 4.21Å; P116-L168 HydrophobicContact CG-CG 4.48Å; L164-L168 HydrophobicContact CB-CD1 4.42Å; L164-L168 WeakPolarHBondContact O-CB 3.44Å; L164-L168 WeakPolarHBondContact O-CD1 3.41Å; L164-L168 WeakPolarHBondContact O-CG 3.29Å; L164-L168 PolarHBondContact O-N 3.06Å; A165-L168 PolarHBondContact O-N 3.22Å
169I97.4Very high95.6Very high68 Ų6856.4 Ų56.435%0.34930%0.304SS..Hα-helixtrans-82.9-25.3177.1-60.1-62.8000111.6V9 F11 I59 A165 D171 L174V9-I169 HydrophobicContact CG1-CD1 3.98Å; F11-I169 HydrophobicContact CE2-CD1 4.05Å; F11-I169 HydrophobicContact CZ-CD1 3.87Å; I59-I169 HydrophobicContact CD1-CD1 3.91Å; I59-I169 HydrophobicContact CD1-CG1 3.63Å; A165-I169 VanDerWaalsContact O-CB 3.29Å; A165-I169 WeakPolarHBondContact O-CB 3.46Å; A165-I169 VanDerWaalsContact O-CG1 3.22Å; A165-I169 WeakPolarHBondContact O-CG1 3.5Å; A165-I169 PolarHBondContact O-N 2.97Å; I169-D171 VanDerWaalsContact C-N 3.34Å; I169-D171 HydrophobicContact CG2-CB 4.11Å; I169-L174 HydrophobicContact CB-CD1 4.12Å; I169-L174 HydrophobicContact CG1-CD1 3.88Å; I169-L174 HydrophobicContact CG2-CD1 4.25Å
170G97.8Very high94.2Very high63 Ų6355.1 Ų55.165%0.64930%0.302SS*.THydrogen-bonded Turntrans77.218.5-17500000113.8R166R166-G170 WeakPolarHBondContact O-CA 3.34Å; R166-G170 PolarHBondContact O-N 3.23Å
171D97.8Very high92.8Very high26 Ų2659.9 Ų59.914%0.13934%0.342CS..  trans-115105.1177.2-173.3-5.6000110.4R56 R166 I169 N173 L174R56-D171 IonicContact CZ-OD2 2.69Å; R56-D171 VanDerWaalsContact CZ-OD2 3.24Å; R56-D171 IonicContact NE-OD2 3.62Å; R56-D171 PolarHBondContact NE-OD2 3.31Å; R56-D171 IonicContact NH2-OD2 2.82Å; R56-D171 PolarHBondContact NH2-OD2 2.9Å; R166-D171 WeakPolarHBondContact CG-O 3.22Å; R166-D171 PolarHBondContact O-N 3.2Å; I169-D171 VanDerWaalsContact C-N 3.34Å; I169-D171 HydrophobicContact CG2-CB 4.11Å; D171-N173 PolarHBondContact O-N 2.88Å; D171-N173 WeakPolarHBondContact OD1-CA 3.36Å; D171-N173 WeakPolarHBondContact OD1-CB 3.31Å; D171-N173 PolarHBondContact OD1-N 3.09Å; D171-L174 HydrophobicContact CB-CB 4.38Å; D171-L174 WeakPolarHBondContact O-CB 3.37Å; D171-L174 PolarHBondContact O-N 2.85Å
172P97.4Very high91.6Very high93 Ų9362 Ų6260%0.60435%0.353SS*.THydrogen-bonded Turntrans-66.6-18.617727.6-34000113.4R166 L174R166-P172 PolarHBondContact NE-O 2.83Å; P172-L174 VanDerWaalsContact C-N 3.31Å
173N97.7Very high90.3Very high106 Ų10662.4 Ų62.457%0.56736%0.36SS*.THydrogen-bonded Turntrans-90.97.8178.6-52.9-59.3000112.6N55 D171 E175N55-N173 PolarHBondContact ND2-O 2.73Å; D171-N173 PolarHBondContact O-N 2.88Å; D171-N173 WeakPolarHBondContact OD1-CA 3.36Å; D171-N173 WeakPolarHBondContact OD1-CB 3.31Å; D171-N173 PolarHBondContact OD1-N 3.09Å; N173-E175 PolarHBondContact O-N 3.21Å
174L97.5Very high89.3Confident0 Ų065.6 Ų65.60%039%0.386CS..  trans-64.2132.2173-175.1153.9000109.6T54 N55 I59 L162 A165 R166 I169 D171 P172 F176T54-L174 HydrophobicContact CG2-CD1 4.36Å; T54-L174 HydrophobicContact CG2-CD2 3.87Å; T54-L174 HydrophobicContact CG2-CG 4.26Å; N55-L174 WeakPolarHBondContact OD1-CA 2.98Å; I59-L174 HydrophobicContact CD1-CD1 3.72Å; L162-L174 HydrophobicContact CD1-CD2 3.68Å; A165-L174 HydrophobicContact CB-CD1 4.31Å; A165-L174 HydrophobicContact CB-CD2 3.89Å; R166-L174 HydrophobicContact CG-CB 3.93Å; R166-L174 VanDerWaalsContact CZ-O 3.29Å; R166-L174 PolarHBondContact NE-O 3.18Å; R166-L174 PolarHBondContact NH2-O 3.36Å; I169-L174 HydrophobicContact CB-CD1 4.12Å; I169-L174 HydrophobicContact CG1-CD1 3.88Å; I169-L174 HydrophobicContact CG2-CD1 4.25Å; D171-L174 HydrophobicContact CB-CB 4.38Å; D171-L174 WeakPolarHBondContact O-CB 3.37Å; D171-L174 PolarHBondContact O-N 2.85Å; P172-L174 VanDerWaalsContact C-N 3.31Å; L174-F176 HydrophobicContact CD2-CD1 4.45Å; L174-F176 HydrophobicContact CD2-CE1 4.31Å
175E96.6Very high88.4Confident115 Ų11568.3 Ų68.354%0.53740%0.404SS..  trans-135147.8-179.8-68.9-17717400110.5T54 N55 N173T54-E175 CarbonylContact C-O 3.48Å; T54-E175 WeakPolarHBondContact CA-O 3.16Å; T54-E175 WeakPolarHBondContact CB-O 3.42Å; N55-E175 PolarHBondContact N-O 2.96Å; N55-E175 PolarHBondContact OD1-N 2.91Å; N173-E175 PolarHBondContact O-N 3.21Å
176F94.8Very high87.6Confident39 Ų3972.6 Ų72.617%0.17142%0.424CS..BIsolated β-bridgetrans-78.8123.4170.1-65.3-19.8000109.6F52 H53 T54 E158 F161 L162 L174F52-F176 HydrophobicContact CB-CD1 4.08Å; F52-F176 HydrophobicContact CB-CE1 3.62Å; F52-F176 HydrophobicContact CB-CE2 4.47Å; F52-F176 HydrophobicContact CB-CZ 3.83Å; F52-F176 HydrophobicContact CD1-CD2 4Å; F52-F176 HydrophobicContact CD1-CE1 4.15Å; F52-F176 AromaticContact CD1-CE2 3.45Å; F52-F176 HydrophobicContact CD1-CE2 3.45Å; F52-F176 VanDerWaalsContact CD1-CE2 3.45Å; F52-F176 AromaticContact CD1-CZ 3.53Å; F52-F176 HydrophobicContact CD1-CZ 3.53Å; F52-F176 AromaticContact CE1-CE2 3.94Å; F52-F176 HydrophobicContact CE1-CE2 3.94Å; F52-F176 HydrophobicContact CE1-CZ 4.23Å; F52-F176 HydrophobicContact CG-CE1 4.07Å; F52-F176 HydrophobicContact CG-CE2 4.15Å; F52-F176 AromaticContact CG-CZ 3.74Å; F52-F176 HydrophobicContact CG-CZ 3.74Å; H53-F176 CarbonylContact O-C 3.52Å; H53-F176 WeakPolarHBondContact O-CA 3.26Å; T54-F176 HydrophobicContact CG2-CD1 3.92Å; T54-F176 HydrophobicContact CG2-CE1 4.05Å; E158-F176 HydrophobicContact CB-CD2 4.01Å; E158-F176 HydrophobicContact CB-CE2 3.96Å; E158-F176 HydrophobicContact CG-CD2 4.46Å; F161-F176 HydrophobicContact CB-CE2 4.18Å; F161-F176 HydrophobicContact CB-CZ 3.94Å; L162-F176 HydrophobicContact CB-CD2 4.38Å; L162-F176 HydrophobicContact CB-CE2 3.85Å; L162-F176 HydrophobicContact CB-CZ 3.95Å; L162-F176 HydrophobicContact CD1-CD1 3.9Å; L162-F176 HydrophobicContact CD1-CD2 4.39Å; L162-F176 HydrophobicContact CD1-CE1 3.91Å; L162-F176 HydrophobicContact CD1-CE2 4.39Å; L162-F176 HydrophobicContact CD1-CG 4.16Å; L162-F176 HydrophobicContact CD1-CZ 4.17Å; L174-F176 HydrophobicContact CD2-CD1 4.45Å; L174-F176 HydrophobicContact CD2-CE1 4.31Å
177V93.6Very high86.9Confident98 Ų9870.9 Ų70.959%0.59442%0.423SS*.SBendtrans-91.6-12.4-178.3-64.80000113H53 N55H53-V177 HydrophobicContact CB-CG2 3.95Å; H53-V177 WeakPolarHBondContact O-CG2 3.44Å; H53-V177 PolarHBondContact O-N 2.75Å; N55-V177 HydrophobicContact CB-CG1 3.95Å
178A83.9Confident86.3Confident49 Ų4970.9 Ų70.941%0.40543%0.433SS..SBendtrans-144.4135.5172.500000109H53H53-A178 HydrophobicContact CB-CB 4.49Å
179M72.7Confident85.8Confident144 Ų14469.7 Ų69.771%0.70943%0.426SS*.  trans-70.8140.4167.2-71.8-170.716500109
180P68.1Low85.5Confident33 Ų3370.2 Ų70.221%0.21443%0.43CS..  trans-51.3145.4164.1-21.832.2000109.5F52 L182F52-P180 HydrophobicContact CD1-CG 4.11Å; F52-P180 HydrophobicContact CE1-CG 3.92Å; P180-L182 VanDerWaalsContact C-N 3.26Å; P180-L182 HydrophobicContact CB-CD2 4.34Å; P180-L182 PolarHBondContact O-N 2.79Å
181A68.4Low85.2Confident101 Ų10172 Ų7284%0.83543%0.43SS*.  trans-68.386.2176.300000109.8
182L71.5Confident85Confident45 Ų4574 Ų7424%0.23645%0.45CS..PPolyproline II helixtrans-84.6137.7177.2-59.1176.4000109.5R29 N154 F157 P180R29-L182 WeakPolarHBondContact O-CD2 3.34Å; N154-L182 HydrophobicContact CB-CD1 4.3Å; F157-L182 HydrophobicContact CD1-CD1 3.65Å; F157-L182 HydrophobicContact CD1-CD2 3.95Å; F157-L182 HydrophobicContact CD1-CG 4.48Å; F157-L182 HydrophobicContact CE1-CD1 4.13Å; F157-L182 HydrophobicContact CE1-CD2 3.57Å; P180-L182 VanDerWaalsContact C-N 3.26Å; P180-L182 HydrophobicContact CB-CD2 4.34Å; P180-L182 PolarHBondContact O-N 2.79Å
183A71.8Confident84.7Confident38 Ų3870.7 Ų70.731%0.31443%0.427SS..PPolyproline II helixtrans-66.2155.8168.200000109.5G33 N154G33-A183 WeakPolarHBondContact O-CB 3.21Å; G33-A183 PolarHBondContact O-N 3.06Å; N154-A183 PolarHBondContact ND2-O 2.92Å
184P77.9Confident84.4Confident111 Ų11166.2 Ų66.272%0.72141%0.405SS*.PPolyproline II helixtrans-49.9147.3177.7-27.935.1000112.7R29 E186R29-P184 PolarHBondContact NH2-O 2.72Å; R29-P184 VanDerWaalsContact NH2-O 3.07Å; P184-E186 PolarHBondContact O-N 3.5Å
185P79.8Confident84.2Confident58 Ų5868.9 Ų68.938%0.37743%0.427SS..PPolyproline II helixtrans-57.2137175.324.8-32.7000111.6R29 V187R29-P185 VanDerWaalsContact NH2-CA 3.3Å; P185-V187 VanDerWaalsContact C-N 3.25Å; P185-V187 WeakPolarHBondContact CB-O 3.37Å
186E80.3Confident84.1Confident89 Ų8968.2 Ų68.242%0.41642%0.424SS..SBendtrans-72.6-26.4173.5-79.9-84.5171.800111.1F35 K37 K152 P184F35-E186 HydrophobicContact CB-CG 3.63Å; F35-E186 HydrophobicContact CD1-CB 4.43Å; F35-E186 HydrophobicContact CD1-CG 3.81Å; F35-E186 HydrophobicContact CG-CG 3.86Å; K37-E186 WeakPolarHBondContact CE-OE1 3.28Å; K37-E186 WeakPolarHBondContact CE-OE2 3.25Å; K37-E186 VanDerWaalsContact NZ-CD 3.29Å; K37-E186 IonicContact NZ-OE1 3.04Å; K37-E186 PolarHBondContact NZ-OE1 3.45Å; K37-E186 IonicContact NZ-OE2 2.79Å; K37-E186 PolarHBondContact NZ-OE2 2.91Å; K152-E186 HydrophobicContact CG-CB 4Å; K152-E186 PolarHBondContact O-N 2.98Å; K152-E186 VanDerWaalsContact O-N 3.14Å; P184-E186 PolarHBondContact O-N 3.5Å
187V83.1Confident84Confident45 Ų4567 Ų6727%0.27342%0.418SS..SBendtrans-138.6140.7169.1-63.50000108.8D125 K152 S153 P185D125-V187 HydrophobicContact CB-CG2 3.97Å; K152-V187 HydrophobicContact CB-CG2 4.07Å; K152-V187 HydrophobicContact CD-CB 4.48Å; K152-V187 HydrophobicContact CD-CG1 4.03Å; K152-V187 HydrophobicContact CD-CG2 3.65Å; K152-V187 HydrophobicContact CG-CG2 3.73Å; S153-V187 VanDerWaalsContact CA-O 3.22Å; S153-V187 WeakPolarHBondContact CA-O 3.37Å; S153-V187 WeakPolarHBondContact CB-O 3.49Å; P185-V187 VanDerWaalsContact C-N 3.25Å; P185-V187 WeakPolarHBondContact CB-O 3.37Å
188V86.4Confident83.9Confident123 Ų12366.7 Ų66.775%0.74541%0.41SS*.PPolyproline II helixtrans-80.2127.1172.1-177.30000108.1D190V188-D190 PolarHBondContact O-N 3.28Å
189M88.3Confident84.4Confident20 Ų2069.9 Ų69.910%0.09942%0.417CS..PPolyproline II helixtrans-65126.4169.6-175.265.518000108.4V124 D125 Y155 P191 L193 A194 Y197V124-M189 HydrophobicContact CB-CE 4.24Å; V124-M189 HydrophobicContact CG2-CE 3.79Å; V124-M189 HydrophobicContact CG2-SD 4.17Å; D125-M189 HydrophobicContact CB-SD 4.33Å; Y155-M189 HydrophobicContact CD2-CG 4.09Å; Y155-M189 HydrophobicContact CG-CG 4.12Å; M189-P191 VanDerWaalsContact O-CD 3.26Å; M189-P191 WeakPolarHBondContact O-CD 3.26Å; M189-L193 HydrophobicContact CE-CB 4.37Å; M189-L193 HydrophobicContact CE-CD2 4.08Å; M189-L193 HydrophobicContact CE-CG 4.08Å; M189-A194 HydrophobicContact CE-CB 4.29Å; M189-A194 HydrophobicContact CG-CB 4.05Å; M189-Y197 HydrophobicContact CE-CD2 3.78Å; M189-Y197 HydrophobicContact CE-CE2 3.81Å
190D91Very high85.4Confident79 Ų7965.8 Ų65.842%0.42240%0.398SS..PPolyproline II helixtrans-60.3117.8175.9176.9-4.6000109.5V188 A192 L193 A194V188-D190 PolarHBondContact O-N 3.28Å; D190-A192 PolarHBondContact O-N 2.68Å; D190-A192 WeakPolarHBondContact OD1-CB 3.31Å; D190-A192 PolarHBondContact OD1-N 3.16Å; D190-L193 HydrophobicContact CB-CB 3.83Å; D190-L193 WeakPolarHBondContact O-CB 3.1Å; D190-L193 PolarHBondContact O-N 2.97Å; D190-L193 VanDerWaalsContact O-N 3.07Å; D190-A194 PolarHBondContact O-N 2.81Å
191P91.2Very high86.5Confident99 Ų9965.4 Ų65.464%0.64339%0.394SS*.Hα-helixtrans-58.3-34.2-178.1-25.635.3000113.5M189 A194 A195M189-P191 VanDerWaalsContact O-CD 3.26Å; M189-P191 WeakPolarHBondContact O-CD 3.26Å; P191-A194 PolarHBondContact O-N 3.25Å; P191-A195 WeakPolarHBondContact O-CB 3.39Å; P191-A195 PolarHBondContact O-N 2.84Å
192A93.1Very high87.6Confident68 Ų6865.8 Ų65.856%0.56238%0.378SS*.Hα-helixtrans-67.7-40.1177.500000111D190 A195 Q196D190-A192 PolarHBondContact O-N 2.68Å; D190-A192 WeakPolarHBondContact OD1-CB 3.31Å; D190-A192 PolarHBondContact OD1-N 3.16Å; A192-A195 PolarHBondContact O-N 2.63Å; A192-Q196 WeakPolarHBondContact O-CB 3.36Å; A192-Q196 PolarHBondContact O-N 3.07Å
193L91.3Very high88.6Confident25 Ų2567.9 Ų67.913%0.13139%0.389CS..Hα-helixtrans-68.1-40.4176.2-171.462.9000111.8M189 D190 Q196 Y197M189-L193 HydrophobicContact CE-CB 4.37Å; M189-L193 HydrophobicContact CE-CD2 4.08Å; M189-L193 HydrophobicContact CE-CG 4.08Å; D190-L193 HydrophobicContact CB-CB 3.83Å; D190-L193 WeakPolarHBondContact O-CB 3.1Å; D190-L193 PolarHBondContact O-N 2.97Å; D190-L193 VanDerWaalsContact O-N 3.07Å; L193-Q196 PolarHBondContact O-N 2.6Å; L193-Y197 HydrophobicContact CD1-CD1 4.47Å; L193-Y197 HydrophobicContact CD1-CE1 3.82Å; L193-Y197 HydrophobicContact CD1-CE2 3.93Å; L193-Y197 HydrophobicContact CD2-CE2 3.91Å; L193-Y197 HydrophobicContact CG-CD2 4.13Å; L193-Y197 HydrophobicContact CG-CE1 4.37Å; L193-Y197 HydrophobicContact CG-CE2 3.57Å; L193-Y197 WeakPolarHBondContact O-CD2 3.34Å; L193-Y197 PolarHBondContact O-N 2.86Å
194A92Very high89.4Confident12 Ų1266.9 Ų66.910%0.09938%0.381CS..Hα-helixtrans-61-46.1175.100000111.8Y155 M189 D190 P191 Y197 E198Y155-A194 HydrophobicContact CD2-CB 4.35Å; Y155-A194 HydrophobicContact CE2-CB 3.61Å; M189-A194 HydrophobicContact CE-CB 4.29Å; M189-A194 HydrophobicContact CG-CB 4.05Å; D190-A194 PolarHBondContact O-N 2.81Å; P191-A194 PolarHBondContact O-N 3.25Å; A194-Y197 PolarHBondContact O-N 3.28Å; A194-E198 PolarHBondContact O-N 2.62Å
195A93.3Very high89.8Confident56 Ų5666.4 Ų66.446%0.46337%0.369SS..Hα-helixtrans-63-41.8176.300000111.9P191 A192 E198 Q199P191-A195 WeakPolarHBondContact O-CB 3.39Å; P191-A195 PolarHBondContact O-N 2.84Å; A192-A195 PolarHBondContact O-N 2.63Å; A195-E198 PolarHBondContact O-N 3.27Å; A195-Q199 WeakPolarHBondContact O-CB 3.27Å; A195-Q199 PolarHBondContact O-N 2.88Å
196Q93.8Very high90.1Very high100 Ų10069.4 Ų69.447%0.46739%0.386SS..Hα-helixtrans-59.9-46.7175.6-177.4179.313.700111.8A192 L193 E198 Q199 D200A192-Q196 WeakPolarHBondContact O-CB 3.36Å; A192-Q196 PolarHBondContact O-N 3.07Å; L193-Q196 PolarHBondContact O-N 2.6Å; Q196-E198 PolarHBondContact O-N 2.95Å; Q196-Q199 PolarHBondContact O-N 3.4Å; Q196-D200 WeakPolarHBondContact O-CB 3.09Å; Q196-D200 PolarHBondContact O-N 3.02Å
197Y92.5Very high90.4Very high14 Ų1468.9 Ų68.96%0.05539%0.389CS..Hα-helixtrans-65.7-36.8179.2-69.2-24.6000113V124 R129 M189 L193 A194 D200 L201V124-Y197 HydrophobicContact CB-CD2 4.14Å; V124-Y197 HydrophobicContact CB-CE2 3.95Å; V124-Y197 WeakPolarHBondContact O-CE2 3.45Å; R129-Y197 VanDerWaalsContact NH1-CD1 3.29Å; M189-Y197 HydrophobicContact CE-CD2 3.78Å; M189-Y197 HydrophobicContact CE-CE2 3.81Å; L193-Y197 HydrophobicContact CD1-CD1 4.47Å; L193-Y197 HydrophobicContact CD1-CE1 3.82Å; L193-Y197 HydrophobicContact CD1-CE2 3.93Å; L193-Y197 HydrophobicContact CD2-CE2 3.91Å; L193-Y197 HydrophobicContact CG-CD2 4.13Å; L193-Y197 HydrophobicContact CG-CE1 4.37Å; L193-Y197 HydrophobicContact CG-CE2 3.57Å; L193-Y197 WeakPolarHBondContact O-CD2 3.34Å; L193-Y197 PolarHBondContact O-N 2.86Å; A194-Y197 PolarHBondContact O-N 3.28Å; Y197-D200 PolarHBondContact O-N 3.16Å; Y197-L201 WeakPolarHBondContact O-CG 3.32Å; Y197-L201 PolarHBondContact O-N 2.77Å
198E92.5Very high90.4Very high91 Ų9170.7 Ų70.743%0.42541%0.409SS..Hα-helixtrans-65.1-42.5174.3-173.9157.3-14200111.6A194 A195 Q196 L201 Q202A194-E198 PolarHBondContact O-N 2.62Å; A195-E198 PolarHBondContact O-N 3.27Å; Q196-E198 PolarHBondContact O-N 2.95Å; E198-L201 PolarHBondContact O-N 3.14Å; E198-Q202 WeakPolarHBondContact O-CG 3.16Å; E198-Q202 PolarHBondContact O-N 3.06Å
199Q94.2Very high90.2Very high117 Ų11767.7 Ų67.755%0.54739%0.388SS..Hα-helixtrans-62.3-46174.3-173.8179.35.100112A195 Q196 L201 Q202 I203A195-Q199 WeakPolarHBondContact O-CB 3.27Å; A195-Q199 PolarHBondContact O-N 2.88Å; Q196-Q199 PolarHBondContact O-N 3.4Å; Q199-L201 VanDerWaalsContact C-N 3.25Å; Q199-L201 PolarHBondContact O-N 3.04Å; Q199-Q202 PolarHBondContact O-N 3.47Å; Q199-I203 HydrophobicContact CG-CD1 4.07Å; Q199-I203 WeakPolarHBondContact O-CG1 3.35Å; Q199-I203 PolarHBondContact O-N 3.22Å
200D92.6Very high89.5Confident57 Ų5770 Ų7031%0.30540%0.404SS..Hα-helixtrans-58.8-37.5177.2-78.2-9.4000111.7A133 Q196 Y197 A204A133-D200 HydrophobicContact CB-CB 3.84Å; Q196-D200 WeakPolarHBondContact O-CB 3.09Å; Q196-D200 PolarHBondContact O-N 3.02Å; Y197-D200 PolarHBondContact O-N 3.16Å; D200-A204 WeakPolarHBondContact O-CB 3.03Å; D200-A204 PolarHBondContact O-N 2.84Å
201L91.4Very high88.5Confident25 Ų2572.6 Ų72.613%0.13142%0.418CS..Hα-helixtrans-69.4-42.3176-74.6169.7000112.6A133 Y146 D148 Y197 E198 Q199 I203 A204 Q205A133-L201 HydrophobicContact CB-CD2 3.74Å; A133-L201 HydrophobicContact CB-CG 4.1Å; Y146-L201 HydrophobicContact CD1-CD1 4.16Å; Y146-L201 HydrophobicContact CD1-CD2 3.6Å; Y146-L201 HydrophobicContact CE1-CD1 3.85Å; Y146-L201 HydrophobicContact CE1-CD2 3.42Å; Y146-L201 VanDerWaalsContact CE1-CD2 3.42Å; Y146-L201 HydrophobicContact CE1-CG 4.29Å; D148-L201 HydrophobicContact CB-CD1 4.32Å; Y197-L201 WeakPolarHBondContact O-CG 3.32Å; Y197-L201 PolarHBondContact O-N 2.77Å; E198-L201 PolarHBondContact O-N 3.14Å; Q199-L201 VanDerWaalsContact C-N 3.25Å; Q199-L201 PolarHBondContact O-N 3.04Å; L201-I203 VanDerWaalsContact C-N 3.33Å; L201-I203 PolarHBondContact O-N 3.25Å; L201-A204 PolarHBondContact O-N 2.97Å; L201-Q205 VanDerWaalsContact O-CG 3.28Å; L201-Q205 WeakPolarHBondContact O-CG 3.05Å; L201-Q205 PolarHBondContact O-N 2.71Å
202Q91.6Very high86.9Confident109 Ų10975.3 Ų75.351%0.50942%0.423SS..Hα-helixtrans-62-42.1176-70.9173.67.800111.5E198 Q199 Q205 T206E198-Q202 WeakPolarHBondContact O-CG 3.16Å; E198-Q202 PolarHBondContact O-N 3.06Å; Q199-Q202 PolarHBondContact O-N 3.47Å; Q202-Q205 PolarHBondContact O-N 3.02Å; Q202-T206 PolarHBondContact O-N 3.12Å; Q202-T206 PolarHBondContact O-OG1 2.8Å
203I92Very high84.9Confident89 Ų8979.2 Ų79.246%0.45643%0.434SS..Hα-helixtrans-61.8-50.6174.1-65.4167000109.6Q199 L201 Q205 T206 T207Q199-I203 HydrophobicContact CG-CD1 4.07Å; Q199-I203 WeakPolarHBondContact O-CG1 3.35Å; Q199-I203 PolarHBondContact O-N 3.22Å; L201-I203 VanDerWaalsContact C-N 3.33Å; L201-I203 PolarHBondContact O-N 3.25Å; I203-Q205 PolarHBondContact O-N 3.26Å; I203-T206 PolarHBondContact O-N 3.46Å; I203-T206 PolarHBondContact O-OG1 3.29Å; I203-T207 PolarHBondContact O-N 2.95Å; I203-T207 PolarHBondContact O-OG1 3.17Å
204A89.1Confident83.1Confident18 Ų1884.4 Ų84.415%0.14946%0.462CS..Hα-helixtrans-61.9-28.2-179.400000114.2A133 R140 D200 L201A133-A204 HydrophobicContact CB-CB 4.14Å; R140-A204 PolarHBondContact NH1-O 2.65Å; D200-A204 WeakPolarHBondContact O-CB 3.03Å; D200-A204 PolarHBondContact O-N 2.84Å; L201-A204 PolarHBondContact O-N 2.97Å
205Q85.9Confident81Confident100 Ų10089 Ų8947%0.46749%0.485SS..Hα-helixtrans-70.2-31.7175.2-77.7172.2-3.900112.9L201 Q202 I203L201-Q205 VanDerWaalsContact O-CG 3.28Å; L201-Q205 WeakPolarHBondContact O-CG 3.05Å; L201-Q205 PolarHBondContact O-N 2.71Å; Q202-Q205 PolarHBondContact O-N 3.02Å; I203-Q205 PolarHBondContact O-N 3.26Å
206T87.5Confident78.3Confident121 Ų12197.7 Ų97.774%0.74252%0.522SS*.Hα-helixtrans-91-18.3179.956.50000113.2Q202 I203Q202-T206 PolarHBondContact O-N 3.12Å; Q202-T206 PolarHBondContact O-OG1 2.8Å; I203-T206 PolarHBondContact O-N 3.46Å; I203-T206 PolarHBondContact O-OG1 3.29Å
207T85.8Confident77.5Confident78 Ų7897.6 Ų97.648%0.47953%0.525SS..SBendtrans-67.2141.6172.9-52.60000111.5R140 I203R140-T207 VanDerWaalsContact CZ-O 3.25Å; R140-T207 PolarHBondContact NH1-O 3.38Å; R140-T207 PolarHBondContact NH2-O 3.43Å; I203-T207 PolarHBondContact O-N 2.95Å; I203-T207 PolarHBondContact O-OG1 3.17Å
208A83.9Confident76.7Confident83 Ų83102 Ų10269%0.68655%0.55SS*.PPolyproline II helixtrans-57.3146.1171.400000111.1
209L80.8Confident75.8Confident61 Ų61102.6 Ų102.632%0.31956%0.557SS.*PPolyproline II helixtrans-69.7142.9171.3-72.2172.5000108.8V137 R140 K141V137-L209 HydrophobicContact CB-CD2 3.82Å; V137-L209 HydrophobicContact CG1-CD2 3.91Å; R140-L209 HydrophobicContact CB-CD1 4.09Å; R140-L209 HydrophobicContact CB-CD2 4.04Å; K141-L209 HydrophobicContact CG-CD1 4.44Å
210P75Confident74.7Confident67 Ų67101.8 Ų101.844%0.43556%0.557SS.*PPolyproline II helixtrans-55.3144.2165.2-1830000109.5
211D68.3Low73.6Confident134 Ų134104.6 Ų104.672%0.71757%0.573SS**PPolyproline II helixtrans-57146.2175.1-65.9-40.9000109.9D213 D214D211-D213 PolarHBondContact O-N 2.8Å; D211-D214 PolarHBondContact O-N 2.79Å
212E59.2Low72.4Confident157 Ų157109.9 Ų109.973%0.73460%0.603SS**G310 helixtrans-60.6-16.1-171-72.2-168146.200114.2D214E212-D214 VanDerWaalsContact C-N 3.26Å; E212-D214 PolarHBondContact O-N 3.04Å
213D51.2Low71.1Confident149 Ų149109.9 Ų109.980%0.79761%0.609SS**G310 helixtrans-72.6-11-176-65-30.8000114.4D211D211-D213 PolarHBondContact O-N 2.8Å
214D52.8Low69.5Low135 Ų135111.5 Ų111.572%0.72262%0.621SS**G310 helixtrans-85.6-0.9-179.6-86.9-20.2000114.7D211 E212D211-D214 PolarHBondContact O-N 2.79Å; E212-D214 VanDerWaalsContact C-N 3.26Å; E212-D214 PolarHBondContact O-N 3.04Å
215D48.3Very low67.8Low108 Ų108119.3 Ų119.358%0.57866%0.661SS**  trans-107.324.4-171.3-82.1-28.4000115.5K141K141-D215 IonicContact NZ-OD2 2.86Å; K141-D215 PolarHBondContact NZ-OD2 3.21Å
216L35.5Very low66.2Low239 Ų239121.1 Ų121.1100%1.25168%0.678SS**  trans-93.10166.6-78.3170.6000113

Retrieved 216 of 216 residues in 48.8 ms (Link to these results)