G4VSL5_SCHMA Loading...

Putative 6-phosphofructo-2-kinase/fructose-2,6-bisphosph at ase

AlphaFold DB , UniProt , Accession G4VSL5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 456 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.5Very low53.1Low245 Ų245121.4 Ų121.4100%1.20765%0.648SS**  0102.80-68.8179.8-16800108.4S3M1-S3 PolarHBondContact O-N 2.94Å
2C45.9Very low53.6Low79 Ų79118.2 Ų118.253%0.53465%0.651SS.*  trans-68.7112.1172.6-84.40000109.4G4 C302C2-G4 VanDerWaalsContact C-N 3.28Å; C2-G4 PolarHBondContact O-N 2.84Å; C2-C302 PolarHBondContact SG-O 3.17Å
3S44.6Very low54Low118 Ų118113.2 Ų113.283%0.82563%0.628SS**  trans-65.785.7172.8620000110.6M1 R5M1-S3 PolarHBondContact O-N 2.94Å; S3-R5 PolarHBondContact O-N 2.82Å
4G44.7Very low54.3Low69 Ų69109.6 Ų109.671%0.71161%0.607SS**  70.76.6124.900000120.6C2 R6C2-G4 VanDerWaalsContact C-N 3.28Å; C2-G4 PolarHBondContact O-N 2.84Å; G4-R6 VanDerWaalsContact C-N 3.25Å; G4-R6 PolarHBondContact O-N 3.18Å
5R50.6Low54.4Low224 Ų224106.4 Ų106.485%0.84560%0.6SS**  trans-77.183.8165.5-78.2-170-175-1783.1109.3S3 V7S3-R5 PolarHBondContact O-N 2.82Å; R5-V7 HydrophobicContact CB-CG2 4.36Å; R5-V7 PolarHBondContact O-N 2.73Å
6R50.6Low54.4Low213 Ų213103.9 Ų103.980%0.80459%0.592SS**  trans-63.498.8164-72.5-172.5174.7171.2-0.7107.5G4 Y307G4-R6 VanDerWaalsContact C-N 3.25Å; G4-R6 PolarHBondContact O-N 3.18Å; R6-Y307 HydrophobicContact CB-CE2 4.37Å; R6-Y307 HydrophobicContact CG-CE2 3.98Å
7V60Low54.4Low58 Ų58100.6 Ų100.635%0.35257%0.568SS.*EExtended strand (participates in β ladder)trans-96.4110.8171.5-1730000106.7R5 L9 Y307R5-V7 HydrophobicContact CB-CG2 4.36Å; R5-V7 PolarHBondContact O-N 2.73Å; V7-L9 HydrophobicContact CG1-CD2 3.92Å; V7-L9 HydrophobicContact CG1-CG 4.03Å; V7-Y307 PolarHBondContact O-N 3.24Å
8S66.7Low54.3Low71 Ų71103 Ų10350%0.49758%0.579SS.*EExtended strand (participates in β ladder)trans-87.3131.4165-173.80000107.6
9L61.4Low53.8Low54 Ų54101.9 Ų101.928%0.28358%0.578SS.*EExtended strand (participates in β ladder)trans-116.2107.4179.1-69.2170.8000108.7V7 Y307 W308V7-L9 HydrophobicContact CG1-CD2 3.92Å; V7-L9 HydrophobicContact CG1-CG 4.03Å; L9-Y307 PolarHBondContact N-O 3Å; L9-W308 HydrophobicContact CB-CD2 4.16Å; L9-W308 HydrophobicContact CB-CE3 4.22Å; L9-W308 HydrophobicContact CB-CH2 4.46Å; L9-W308 HydrophobicContact CB-CZ2 4.41Å; L9-W308 HydrophobicContact CB-CZ3 4.37Å; L9-W308 HydrophobicContact CD1-CD2 4.28Å; L9-W308 HydrophobicContact CD1-CH2 3.81Å; L9-W308 HydrophobicContact CD1-CZ2 3.25Å; L9-W308 HydrophobicContact CG-CZ2 4.45Å
10D59Low53.6Low125 Ų12598.1 Ų98.167%0.66856%0.558SS**  trans-100.292.8167.5-78.5-27.4000108
11I60Low53.5Low79 Ų7996.9 Ų96.941%0.40556%0.556SS.*  trans-105.2119.4173.7-52.3-179.7000107.5W308 P362I11-W308 HydrophobicContact CD1-CH2 3.84Å; I11-W308 HydrophobicContact CD1-CZ3 3.79Å; I11-W308 HydrophobicContact CG1-CZ3 4.36Å; I11-P362 HydrophobicContact CB-CB 3.9Å; I11-P362 HydrophobicContact CB-CG 4.3Å; I11-P362 HydrophobicContact CG2-CB 3.67Å; I11-P362 HydrophobicContact CG2-CG 3.94Å
12A59.2Low54.3Low83 Ų8387.5 Ų87.569%0.68652%0.522SS*.PPolyproline II helixtrans-73.1144.317700000111
13P59.5Low55.3Low54 Ų5490.7 Ų90.735%0.35153%0.534SS..PPolyproline II helixtrans-67.3160.6172.230.2-34.7000111.4T358P13-T358 HydrophobicContact CB-CG2 4.06Å; P13-T358 VanDerWaalsContact CB-O 3.22Å; P13-T358 WeakPolarHBondContact CB-O 3.04Å; P13-T358 HydrophobicContact CG-CG2 4.19Å
14L58.2Low57.1Low62 Ų6288.3 Ų88.333%0.32551%0.509SS..PPolyproline II helixtrans-65.1147.2170.3-67.1171.7000109.1S16 R223 Y226 E361L14-S16 PolarHBondContact O-N 3.35Å; L14-R223 VanDerWaalsContact CB-NH2 3.27Å; L14-R223 HydrophobicContact CD1-CB 4.24Å; L14-R223 HydrophobicContact CD1-CG 3.81Å; L14-Y226 HydrophobicContact CD1-CD1 4.04Å; L14-Y226 HydrophobicContact CD1-CE1 4.49Å; L14-E361 PolarHBondContact N-OE2 3.09Å
15A55.2Low59.5Low62 Ų6286.3 Ų86.351%0.51248%0.481SS..PPolyproline II helixtrans-47140.3-177.200000112.5R223A15-R223 PolarHBondContact O-NH2 3.18Å
16S54.9Low61.7Low66 Ų6675.7 Ų75.746%0.46244%0.441SS..PPolyproline II helixtrans-59.3142.4-174.266.50000111.5L14 D18 S19L14-S16 PolarHBondContact O-N 3.35Å; S16-D18 PolarHBondContact O-N 3.17Å; S16-S19 WeakPolarHBondContact O-CB 3.22Å; S16-S19 PolarHBondContact O-N 2.79Å; S16-S19 VanDerWaalsContact O-N 3.15Å; S16-S19 PolarHBondContact O-OG 2.99Å
17W53.8Low63.9Low49 Ų4965.5 Ų65.519%0.18640%0.403CS..G310 helixtrans-62.2-27.4-177.5-98.273.7000114.3S19 C20 I54 I111 I220 R223W17-S19 PolarHBondContact O-N 3.26Å; W17-C20 WeakPolarHBondContact O-CB 2.9Å; W17-C20 PolarHBondContact O-N 3.13Å; W17-I54 HydrophobicContact CD2-CD1 4.02Å; W17-I54 HydrophobicContact CD2-CG1 3.49Å; W17-I54 VanDerWaalsContact CD2-CG1 3.49Å; W17-I54 HydrophobicContact CE3-CG1 3.83Å; W17-I54 HydrophobicContact CE3-CG2 4.32Å; W17-I54 HydrophobicContact CG-CG1 4.12Å; W17-I54 HydrophobicContact CH2-CB 4.04Å; W17-I54 HydrophobicContact CH2-CD1 3.68Å; W17-I54 HydrophobicContact CH2-CG1 3.55Å; W17-I54 HydrophobicContact CH2-CG2 3.29Å; W17-I54 HydrophobicContact CZ2-CB 4.18Å; W17-I54 HydrophobicContact CZ2-CD1 2.98Å; W17-I54 HydrophobicContact CZ2-CG1 3.25Å; W17-I54 HydrophobicContact CZ2-CG2 3.88Å; W17-I54 HydrophobicContact CZ3-CB 4.28Å; W17-I54 HydrophobicContact CZ3-CD1 4.46Å; W17-I54 HydrophobicContact CZ3-CG1 3.84Å; W17-I54 HydrophobicContact CZ3-CG2 3.57Å; W17-I54 VanDerWaalsContact NE1-CD1 3.31Å; W17-I111 HydrophobicContact CH2-CD1 4.18Å; W17-I220 HydrophobicContact CH2-CB 4.33Å; W17-I220 HydrophobicContact CH2-CD1 3.43Å; W17-I220 VanDerWaalsContact CH2-CD1 3.43Å; W17-I220 HydrophobicContact CH2-CG1 3.4Å; W17-I220 VanDerWaalsContact CH2-CG1 3.4Å; W17-I220 HydrophobicContact CH2-CG2 4.23Å; W17-I220 HydrophobicContact CZ2-CB 4.45Å; W17-I220 HydrophobicContact CZ2-CD1 4.28Å; W17-I220 HydrophobicContact CZ2-CG1 3.73Å; W17-I220 HydrophobicContact CZ2-CG2 4.47Å; W17-I220 HydrophobicContact CZ3-CD1 3.85Å; W17-I220 HydrophobicContact CZ3-CG1 4.15Å; W17-R223 VanDerWaalsContact NE1-CZ 3.28Å
18D53.4Low65.8Low143 Ų14362.8 Ų62.877%0.76539%0.386SS*.G310 helixtrans-60.7-14.4177.4-63.9-23.2000112.8S16S16-D18 PolarHBondContact O-N 3.17Å
19S45.1Very low67.3Low82 Ų8259.4 Ų59.457%0.57336%0.362SS*.G310 helixtrans-83.1-12.6173.567.80000114.8S16 W17S16-S19 WeakPolarHBondContact O-CB 3.22Å; S16-S19 PolarHBondContact O-N 2.79Å; S16-S19 VanDerWaalsContact O-N 3.15Å; S16-S19 PolarHBondContact O-OG 2.99Å; W17-S19 PolarHBondContact O-N 3.26Å
20C48.7Very low69.1Low26 Ų2656.8 Ų56.818%0.17635%0.349CS..SBendtrans-79.5135.3176-65.90000109.6W17 G22 N219W17-C20 WeakPolarHBondContact O-CB 2.9Å; W17-C20 PolarHBondContact O-N 3.13Å; C20-G22 PolarHBondContact O-N 3.2Å; C20-N219 PolarHBondContact SG-ND2 3.45Å; C20-N219 VanDerWaalsContact SG-ND2 3.38Å
21S51.7Low71Confident72 Ų7250.9 Ų50.950%0.50332%0.317SS..  trans-51.5119.717150.30000108.7D23 E24S21-D23 PolarHBondContact O-N 3.28Å; S21-E24 PolarHBondContact O-N 3.47Å
22G56.9Low72.7Confident48 Ų4847.1 Ų47.150%0.49530%0.298SS..THydrogen-bonded Turntrans-55.5-9.8-173.800000115.1C20 K110C20-G22 PolarHBondContact O-N 3.2Å; G22-K110 PolarHBondContact O-NZ 3.04Å
23D67.7Low74.4Confident146 Ų14644 Ų4478%0.78127%0.27SS*.THydrogen-bonded Turntrans-96.2-11.7-173.6-63.3-25.4000115.1S21 K25S21-D23 PolarHBondContact O-N 3.28Å; D23-K25 PolarHBondContact O-N 3Å
24E82.5Confident76Confident68 Ų6841.9 Ų41.932%0.31826%0.256SS..  trans-71.9118.9179.4-76.4-170161.700111.5S21 Q137 I220S21-E24 PolarHBondContact O-N 3.47Å; E24-Q137 PolarHBondContact OE1-NE2 2.89Å; E24-I220 HydrophobicContact CB-CD1 4.41Å
25K93.9Very high77.5Confident28 Ų2839.2 Ų39.212%0.12224%0.243CC..  trans-113.5134.5175.7-55.1-66177.4127.70109.6D23 L104 S106 G109 K110 F136 Q137D23-K25 PolarHBondContact O-N 3Å; K25-L104 HydrophobicContact CB-CD2 4.38Å; K25-L104 HydrophobicContact CD-CD2 4.46Å; K25-L104 PolarHBondContact NZ-O 3.05Å; K25-S106 PolarHBondContact NZ-O 3.23Å; K25-G109 VanDerWaalsContact CD-O 3.25Å; K25-G109 WeakPolarHBondContact CD-O 3.45Å; K25-G109 WeakPolarHBondContact CE-O 3.43Å; K25-G109 PolarHBondContact NZ-O 3.19Å; K25-K110 WeakPolarHBondContact CA-O 3.39Å; K25-K110 HydrophobicContact CD-CD 4.33Å; K25-F136 HydrophobicContact CB-CD1 3.58Å; K25-F136 HydrophobicContact CB-CE1 3.89Å; K25-F136 HydrophobicContact CB-CG 4.34Å; K25-F136 HydrophobicContact CG-CD1 4.21Å; K25-F136 HydrophobicContact CG-CE1 4.08Å; K25-Q137 PolarHBondContact O-N 3.16Å
26T96.6Very high79.2Confident0 Ų037 Ų370%022%0.221CC..EExtended strand (participates in β ladder)trans-123.6136-175.2-51.70000111.6K110 I111 A112 Q137 I139 I224T26-K110 PolarHBondContact N-O 3.28Å; T26-K110 VanDerWaalsContact N-O 3.07Å; T26-I111 CarbonylContact O-C 3.56Å; T26-I111 VanDerWaalsContact O-CA 3.31Å; T26-I111 WeakPolarHBondContact O-CA 3.36Å; T26-A112 PolarHBondContact O-N 3.37Å; T26-Q137 CarbonylContact C-O 3.59Å; T26-Q137 WeakPolarHBondContact CA-O 3.07Å; T26-Q137 HydrophobicContact CG2-CB 4.41Å; T26-I139 HydrophobicContact CG2-CG2 3.99Å; T26-I224 HydrophobicContact CG2-CD1 4.44Å
27V98.4Very high80.8Confident0 Ų034.9 Ų34.90%021%0.21CC..EExtended strand (participates in β ladder)trans-105.4118.8169.5-172.50000109.1V29 L100 L104 A112 F114 F136 Q137 V138 I139V27-V29 HydrophobicContact CG1-CG2 3.81Å; V27-L100 HydrophobicContact CG1-CD1 4.12Å; V27-L100 HydrophobicContact CG1-CD2 4.13Å; V27-L100 HydrophobicContact CG2-CD2 3.87Å; V27-L104 HydrophobicContact CG2-CD1 3.54Å; V27-A112 CarbonylContact C-O 3.55Å; V27-A112 WeakPolarHBondContact CA-O 3.47Å; V27-F114 HydrophobicContact CG1-CB 4.46Å; V27-F136 HydrophobicContact CG2-CB 4.03Å; V27-F136 HydrophobicContact CG2-CD2 4Å; V27-F136 HydrophobicContact CG2-CG 4.4Å; V27-Q137 PolarHBondContact N-O 3.14Å; V27-V138 HydrophobicContact CB-CG2 4.47Å; V27-V138 WeakPolarHBondContact O-CA 3.42Å; V27-I139 PolarHBondContact O-N 2.92Å
28V98.7Very high82.6Confident0 Ų033.2 Ų33.20%020%0.204CC..EExtended strand (participates in β ladder)trans-94.3111.4172.6-176.10000108.4L45 I111 A112 V113 F114 I139 V141 I224V28-L45 HydrophobicContact CG1-CD2 4.03Å; V28-L45 HydrophobicContact CG2-CD2 4.37Å; V28-I111 HydrophobicContact CG2-CG2 3.75Å; V28-A112 PolarHBondContact N-O 2.87Å; V28-V113 HydrophobicContact CB-CB 4.46Å; V28-V113 HydrophobicContact CB-CG1 4.31Å; V28-V113 HydrophobicContact CB-CG2 4.18Å; V28-V113 HydrophobicContact CG1-CG1 4.39Å; V28-V113 CarbonylContact O-C 3.56Å; V28-V113 WeakPolarHBondContact O-CA 3.27Å; V28-F114 PolarHBondContact O-N 3.11Å; V28-I139 CarbonylContact C-O 3.6Å; V28-I139 WeakPolarHBondContact CA-O 3.08Å; V28-I139 HydrophobicContact CB-CG2 4.27Å; V28-I139 HydrophobicContact CG1-CG2 4.35Å; V28-I139 HydrophobicContact CG2-CG2 3.79Å; V28-V141 HydrophobicContact CG1-CB 4.38Å; V28-V141 HydrophobicContact CG1-CG2 3.6Å; V28-I224 HydrophobicContact CG2-CD1 3.77Å
29V98.8Very high84.3Confident0 Ų027.4 Ų27.40%018%0.175CC..EExtended strand (participates in β ladder)trans-102.8114.1-176.6-176.40000109.6V27 F114 N118 I127 V138 I139 F140 V141V27-V29 HydrophobicContact CG1-CG2 3.81Å; V29-F114 HydrophobicContact CG1-CD1 4.38Å; V29-F114 HydrophobicContact CG2-CB 4.5Å; V29-N118 HydrophobicContact CG1-CB 4.43Å; V29-N118 VanDerWaalsContact CG1-ND2 3.35Å; V29-N118 WeakPolarHBondContact CG1-ND2 3.38Å; V29-I127 HydrophobicContact CG1-CD1 3.82Å; V29-I127 HydrophobicContact CG2-CG2 3.7Å; V29-V138 HydrophobicContact CG2-CG1 3.82Å; V29-I139 PolarHBondContact N-O 2.85Å; V29-F140 HydrophobicContact CB-CD1 3.55Å; V29-F140 HydrophobicContact CB-CE1 3.74Å; V29-F140 HydrophobicContact CB-CG 4.42Å; V29-F140 HydrophobicContact CG1-CD1 3.67Å; V29-F140 HydrophobicContact CG1-CE1 3.63Å; V29-F140 HydrophobicContact CG2-CD1 4.39Å; V29-F140 HydrophobicContact CG2-CE1 4.19Å; V29-F140 CarbonylContact O-C 3.48Å; V29-F140 WeakPolarHBondContact O-CA 3.49Å; V29-V141 PolarHBondContact O-N 3.08Å
30L98.6Very high86.4Confident0 Ų024.6 Ų24.60%015%0.151CC..EExtended strand (participates in β ladder)trans-78.5138.1178-69.4171.2000111.2K38 I41 V113 F114 D115 A116 N118 V141L30-K38 HydrophobicContact CB-CD 4.09Å; L30-K38 HydrophobicContact CB-CG 4.44Å; L30-K38 HydrophobicContact CD1-CB 4.2Å; L30-K38 WeakPolarHBondContact CD1-O 3.42Å; L30-I41 HydrophobicContact CD2-CB 4.4Å; L30-I41 HydrophobicContact CD2-CG2 3.8Å; L30-V113 HydrophobicContact CD1-CG1 4.07Å; L30-V113 HydrophobicContact CG-CG1 4.25Å; L30-F114 PolarHBondContact N-O 2.78Å; L30-F114 VanDerWaalsContact N-O 3.07Å; L30-D115 HydrophobicContact CD1-CB 3.78Å; L30-D115 WeakPolarHBondContact CD1-OD1 3.12Å; L30-A116 VanDerWaalsContact O-O 3.12Å; L30-N118 WeakPolarHBondContact O-CB 3.43Å; L30-N118 PolarHBondContact O-ND2 3.43Å; L30-V141 CarbonylContact C-O 3.56Å; L30-V141 WeakPolarHBondContact CA-O 3.12Å; L30-V141 HydrophobicContact CD2-CB 3.77Å; L30-V141 HydrophobicContact CD2-CG1 3.77Å
31V98.5Very high88.5Confident0 Ų023.7 Ų23.70%015%0.145CC..EExtended strand (participates in β ladder)trans-129.5144.5-178.9-175.60000109.7N118 R124 F140 V141 E142 S143 I191V31-N118 HydrophobicContact CG2-CB 4.22Å; V31-R124 HydrophobicContact CG2-CG 4.49Å; V31-F140 HydrophobicContact CG2-CB 4.35Å; V31-F140 HydrophobicContact CG2-CD1 3.73Å; V31-F140 HydrophobicContact CG2-CG 4.49Å; V31-V141 PolarHBondContact N-O 2.55Å; V31-E142 HydrophobicContact CB-CB 3.99Å; V31-E142 HydrophobicContact CB-CG 3.94Å; V31-E142 HydrophobicContact CG1-CB 4.43Å; V31-E142 HydrophobicContact CG1-CG 3.91Å; V31-E142 WeakPolarHBondContact O-CA 3.28Å; V31-S143 PolarHBondContact O-N 2.66Å; V31-I191 HydrophobicContact CB-CD1 4.5Å; V31-I191 HydrophobicContact CG1-CG1 4.37Å; V31-I191 HydrophobicContact CG2-CD1 4.24Å
32G96.9Very high90.5Very high0 Ų020.3 Ų20.30%012%0.121CC..SBendtrans129.4173.2170.500000113.7K38 T117G32-K38 WeakPolarHBondContact O-CE 3.23Å; G32-K38 PolarHBondContact O-NZ 3.16Å; G32-T117 PolarHBondContact N-O 3.26Å; G32-T117 WeakPolarHBondContact O-CA 3.45Å; G32-T117 WeakPolarHBondContact O-CB 3.19Å
33L95.5Very high92.2Very high19 Ų1919.7 Ų19.710%0.09911%0.108CC..  trans-69.9155.8-173.3-66.3169.7000113.5R36 K38 T119 E185 Y188L33-R36 WeakPolarHBondContact O-CD 3.48Å; L33-K38 VanDerWaalsContact C-NZ 3.28Å; L33-K38 PolarHBondContact O-NZ 3.02Å; L33-T119 HydrophobicContact CD2-CG2 4.25Å; L33-E185 HydrophobicContact CD1-CG 3.54Å; L33-E185 HydrophobicContact CD2-CG 3.83Å; L33-E185 HydrophobicContact CG-CG 4.32Å; L33-Y188 HydrophobicContact CD1-CD1 3.83Å; L33-Y188 HydrophobicContact CD1-CE1 4.18Å; L33-Y188 HydrophobicContact CD1-CG 4.45Å; L33-Y188 HydrophobicContact CD2-CD1 4.12Å; L33-Y188 HydrophobicContact CD2-CG 3.89Å; L33-Y188 HydrophobicContact CG-CD1 3.82Å; L33-Y188 HydrophobicContact CG-CE1 4.17Å; L33-Y188 HydrophobicContact CG-CG 4.01Å
34P92.6Very high93.4Very high8 Ų812.8 Ų12.85%0.0527%0.071CC..THydrogen-bonded Turntrans-55.9151.4176.1-22.332000113.2R36 T117 F177 I181 Y184P34-R36 VanDerWaalsContact C-N 3.25Å; P34-R36 WeakPolarHBondContact O-CD 3.4Å; P34-R36 PolarHBondContact O-N 3Å; P34-R36 PolarHBondContact O-NH1 3.44Å; P34-T117 HydrophobicContact CG-CG2 4.06Å; P34-F177 HydrophobicContact CB-CE1 4.08Å; P34-F177 HydrophobicContact CB-CZ 3.74Å; P34-I181 HydrophobicContact CB-CG1 4.17Å; P34-I181 HydrophobicContact CG-CG1 4.43Å; P34-Y184 HydrophobicContact CG-CD2 3.38Å; P34-Y184 HydrophobicContact CG-CE2 3.78Å; P34-Y184 HydrophobicContact CG-CG 3.95Å
35A89Confident94.1Very high7 Ų79.6 Ų9.66%0.0586%0.056CC..THydrogen-bonded Turntrans63.617.3-179.500000116.8N154 V155 K159 F177A35-N154 HydrophobicContact CB-CB 4.35Å; A35-N154 WeakPolarHBondContact O-CB 3.42Å; A35-N154 PolarHBondContact O-ND2 3.32Å; A35-V155 HydrophobicContact CB-CG2 3.58Å; A35-K159 HydrophobicContact CB-CG 4.1Å; A35-F177 HydrophobicContact CB-CE1 3.82Å; A35-F177 HydrophobicContact CB-CZ 4.36Å
36R90.9Very high94.2Very high15 Ų159 Ų96%0.0576%0.055CC..SBendtrans-106.347.3173-70.272.9166.4176.9-5.3112L33 P34 K38 S143 C145 I181 E185L33-R36 WeakPolarHBondContact O-CD 3.48Å; P34-R36 VanDerWaalsContact C-N 3.25Å; P34-R36 WeakPolarHBondContact O-CD 3.4Å; P34-R36 PolarHBondContact O-N 3Å; P34-R36 PolarHBondContact O-NH1 3.44Å; R36-K38 VanDerWaalsContact C-N 3.29Å; R36-K38 PolarHBondContact O-N 3.42Å; R36-S143 WeakPolarHBondContact O-CB 3.25Å; R36-S143 PolarHBondContact O-OG 3.27Å; R36-C145 HydrophobicContact CB-CB 4.29Å; R36-C145 HydrophobicContact CG-CB 3.79Å; R36-I181 VanDerWaalsContact NH1-CG2 3.25Å; R36-E185 IonicContact CZ-OE1 3.44Å; R36-E185 IonicContact NH2-OE1 3.13Å; R36-E185 PolarHBondContact NH2-OE1 3.1Å
37G87.8Confident94.1Very high22 Ų229.2 Ų9.223%0.2276%0.056CC..SBendtrans71-3.4169.300000119S39 Y40 I41G37-S39 PolarHBondContact O-N 3.04Å; G37-Y40 WeakPolarHBondContact O-CA 3.3Å; G37-Y40 VanDerWaalsContact O-CB 3.3Å; G37-Y40 WeakPolarHBondContact O-CB 3.4Å; G37-Y40 PolarHBondContact O-N 3.36Å; G37-I41 WeakPolarHBondContact O-CG1 3.34Å; G37-I41 PolarHBondContact O-N 2.8Å
38K92.1Very high94Very high14 Ų149.2 Ų9.26%0.0616%0.056CC..Hα-helixtrans-50.2-49.2-178.9-69.4-169.1-54.5-73.30114.8L30 G32 L33 R36 Y40 I41 S42 A116L30-K38 HydrophobicContact CB-CD 4.09Å; L30-K38 HydrophobicContact CB-CG 4.44Å; L30-K38 HydrophobicContact CD1-CB 4.2Å; L30-K38 WeakPolarHBondContact CD1-O 3.42Å; G32-K38 WeakPolarHBondContact O-CE 3.23Å; G32-K38 PolarHBondContact O-NZ 3.16Å; L33-K38 VanDerWaalsContact C-NZ 3.28Å; L33-K38 PolarHBondContact O-NZ 3.02Å; R36-K38 VanDerWaalsContact C-N 3.29Å; R36-K38 PolarHBondContact O-N 3.42Å; K38-Y40 VanDerWaalsContact C-N 3.27Å; K38-Y40 PolarHBondContact O-N 2.9Å; K38-I41 WeakPolarHBondContact O-CB 3.21Å; K38-I41 PolarHBondContact O-N 3.19Å; K38-I41 VanDerWaalsContact O-N 3.15Å; K38-S42 PolarHBondContact O-N 2.9Å; K38-S42 PolarHBondContact O-OG 3.04Å; K38-A116 WeakPolarHBondContact CD-O 3.25Å; K38-A116 WeakPolarHBondContact CE-O 3.44Å
39S88.8Confident93.8Very high21 Ų219.2 Ų9.215%0.1476%0.056CC..Hα-helixtrans-68.7-26.8-180-52.60000113.4G37 S42 T43 D115G37-S39 PolarHBondContact O-N 3.04Å; S39-S42 VanDerWaalsContact CA-OG 3.32Å; S39-S42 WeakPolarHBondContact CA-OG 3.17Å; S39-S42 PolarHBondContact O-OG 2.82Å; S39-S42 VanDerWaalsContact O-OG 3.05Å; S39-T43 WeakPolarHBondContact O-CB 3.48Å; S39-T43 PolarHBondContact O-N 3.44Å; S39-T43 PolarHBondContact O-OG1 3.04Å; S39-D115 PolarHBondContact OG-OD2 3.2Å
40Y89.2Confident93.6Very high22 Ų2212.1 Ų12.19%0.0867%0.072CC..Hα-helixtrans-68-47.1170.5173.6-111.9000110.2G37 K38 T43 K44 I231 R232 V233G37-Y40 WeakPolarHBondContact O-CA 3.3Å; G37-Y40 VanDerWaalsContact O-CB 3.3Å; G37-Y40 WeakPolarHBondContact O-CB 3.4Å; G37-Y40 PolarHBondContact O-N 3.36Å; K38-Y40 VanDerWaalsContact C-N 3.27Å; K38-Y40 PolarHBondContact O-N 2.9Å; Y40-T43 PolarHBondContact O-N 2.84Å; Y40-K44 HydrophobicContact CD2-CG 4.01Å; Y40-K44 HydrophobicContact CE1-CG 4.27Å; Y40-K44 HydrophobicContact CE2-CD 4.26Å; Y40-K44 HydrophobicContact CE2-CG 3.63Å; Y40-K44 WeakPolarHBondContact O-CB 3.42Å; Y40-K44 PolarHBondContact O-N 3.2Å; Y40-K44 VanDerWaalsContact OH-CE 3.31Å; Y40-K44 WeakPolarHBondContact OH-CE 3.49Å; Y40-I231 HydrophobicContact CE1-CD1 4.45Å; Y40-R232 PolarHBondContact OH-O 2.68Å; Y40-V233 HydrophobicContact CD1-CG2 4.31Å; Y40-V233 HydrophobicContact CE1-CB 4.43Å; Y40-V233 HydrophobicContact CE1-CG1 4.5Å; Y40-V233 HydrophobicContact CE1-CG2 4.05Å
41I93.4Very high93.5Very high8 Ų812.8 Ų12.84%0.0417%0.074CC..Hα-helixtrans-57.5-51.2176.5-69.6164.1000111.1L30 G37 K38 T43 K44 L45 V141 I204 L228 I231L30-I41 HydrophobicContact CD2-CB 4.4Å; L30-I41 HydrophobicContact CD2-CG2 3.8Å; G37-I41 WeakPolarHBondContact O-CG1 3.34Å; G37-I41 PolarHBondContact O-N 2.8Å; K38-I41 WeakPolarHBondContact O-CB 3.21Å; K38-I41 PolarHBondContact O-N 3.19Å; K38-I41 VanDerWaalsContact O-N 3.15Å; I41-T43 PolarHBondContact O-N 2.85Å; I41-K44 PolarHBondContact O-N 3.21Å; I41-L45 WeakPolarHBondContact O-CB 3.15Å; I41-L45 PolarHBondContact O-N 3.2Å; I41-V141 HydrophobicContact CG2-CG1 3.99Å; I41-I204 HydrophobicContact CD1-CD1 4.09Å; I41-L228 HydrophobicContact CG2-CD2 3.57Å; I41-I231 HydrophobicContact CG1-CD1 4.27Å
42S94.8Very high93.2Very high1 Ų113.8 Ų13.81%0.0078%0.08CC..Hα-helixtrans-59.3-46.5178.949.70000112.1K38 S39 S46 D115K38-S42 PolarHBondContact O-N 2.9Å; K38-S42 PolarHBondContact O-OG 3.04Å; S39-S42 VanDerWaalsContact CA-OG 3.32Å; S39-S42 WeakPolarHBondContact CA-OG 3.17Å; S39-S42 PolarHBondContact O-OG 2.82Å; S39-S42 VanDerWaalsContact O-OG 3.05Å; S42-S46 WeakPolarHBondContact O-CB 3.39Å; S42-S46 PolarHBondContact O-N 2.75Å; S42-D115 PolarHBondContact OG-OD2 2.75Å
43T92.4Very high93Very high34 Ų3416.2 Ų16.221%0.20911%0.105CC..Hα-helixtrans-64.2-48.5-177.8-56.50000111.3S39 Y40 I41 R47S39-T43 WeakPolarHBondContact O-CB 3.48Å; S39-T43 PolarHBondContact O-N 3.44Å; S39-T43 PolarHBondContact O-OG1 3.04Å; Y40-T43 PolarHBondContact O-N 2.84Å; I41-T43 PolarHBondContact O-N 2.85Å; T43-R47 WeakPolarHBondContact O-CB 3.24Å; T43-R47 PolarHBondContact O-N 3.02Å
44K93.3Very high92.8Very high2 Ų215.3 Ų15.31%0.00910%0.101CC..Hα-helixtrans-62-49.3178.1-83.2-78.6-172.6160.90111.8Y40 I41 S46 R47 Y48 Y227 E368Y40-K44 HydrophobicContact CD2-CG 4.01Å; Y40-K44 HydrophobicContact CE1-CG 4.27Å; Y40-K44 HydrophobicContact CE2-CD 4.26Å; Y40-K44 HydrophobicContact CE2-CG 3.63Å; Y40-K44 WeakPolarHBondContact O-CB 3.42Å; Y40-K44 PolarHBondContact O-N 3.2Å; Y40-K44 VanDerWaalsContact OH-CE 3.31Å; Y40-K44 WeakPolarHBondContact OH-CE 3.49Å; I41-K44 PolarHBondContact O-N 3.21Å; K44-S46 PolarHBondContact O-N 3.39Å; K44-R47 PolarHBondContact O-N 3.42Å; K44-Y48 PolarHBondContact O-N 3.02Å; K44-Y227 HydrophobicContact CB-CE1 4.12Å; K44-Y227 PolarHBondContact O-OH 3.11Å; K44-Y227 VanDerWaalsContact O-OH 3.11Å; K44-E368 VanDerWaalsContact NZ-CD 3.29Å; K44-E368 IonicContact NZ-OE1 3.98Å; K44-E368 PolarHBondContact NZ-OE1 3.02Å; K44-E368 IonicContact NZ-OE2 2.86Å; K44-E368 PolarHBondContact NZ-OE2 3.32Å
45L95.8Very high92.9Very high0 Ų018 Ų180%012%0.115CC..Hα-helixtrans-60.5-48.2179.918063000111.2V28 I41 R47 Y48 L49 I224 Y227 L228V28-L45 HydrophobicContact CG1-CD2 4.03Å; V28-L45 HydrophobicContact CG2-CD2 4.37Å; I41-L45 WeakPolarHBondContact O-CB 3.15Å; I41-L45 PolarHBondContact O-N 3.2Å; L45-R47 VanDerWaalsContact C-N 3.33Å; L45-R47 PolarHBondContact O-N 3.38Å; L45-Y48 HydrophobicContact CD1-CD1 4.43Å; L45-Y48 PolarHBondContact O-N 3.27Å; L45-L49 HydrophobicContact CD1-CD1 3.78Å; L45-L49 HydrophobicContact CD1-CD2 4.5Å; L45-L49 HydrophobicContact CD1-CG 4.02Å; L45-L49 HydrophobicContact CD2-CD1 4.42Å; L45-L49 HydrophobicContact CG-CD1 3.69Å; L45-L49 HydrophobicContact CG-CG 4.34Å; L45-L49 WeakPolarHBondContact O-CB 3.26Å; L45-L49 WeakPolarHBondContact O-CG 3.32Å; L45-L49 PolarHBondContact O-N 3.31Å; L45-I224 HydrophobicContact CD1-CB 4.4Å; L45-I224 HydrophobicContact CD1-CG1 4.25Å; L45-I224 HydrophobicContact CD1-CG2 4.07Å; L45-I224 HydrophobicContact CD2-CG2 3.91Å; L45-Y227 HydrophobicContact CB-CD1 4.44Å; L45-Y227 HydrophobicContact CB-CE1 4.36Å; L45-Y227 HydrophobicContact CD1-CD1 3.75Å; L45-Y227 HydrophobicContact CD1-CE1 4.44Å; L45-L228 HydrophobicContact CB-CD2 4.44Å
46S95.9Very high93.3Very high15 Ų1518.1 Ų18.111%0.10511%0.114CC..Hα-helixtrans-59.8-43177.5-173.90000112.1S42 K44 L49 N50S42-S46 WeakPolarHBondContact O-CB 3.39Å; S42-S46 PolarHBondContact O-N 2.75Å; K44-S46 PolarHBondContact O-N 3.39Å; S46-L49 PolarHBondContact O-N 3.26Å; S46-N50 WeakPolarHBondContact O-CB 3.22Å; S46-N50 PolarHBondContact O-N 3.34Å; S46-N50 PolarHBondContact O-ND2 3.3Å; S46-N50 PolarHBondContact OG-ND2 3.17Å
47R95.1Very high93.6Very high5 Ų523.2 Ų23.22%0.01913%0.133CC..Hα-helixtrans-61.1-49.1177.7-176.6176.1-41.5156.9-3.3111.8T43 K44 L45 N50 W51 Y388 F389 D391 Y415T43-R47 WeakPolarHBondContact O-CB 3.24Å; T43-R47 PolarHBondContact O-N 3.02Å; K44-R47 PolarHBondContact O-N 3.42Å; L45-R47 VanDerWaalsContact C-N 3.33Å; L45-R47 PolarHBondContact O-N 3.38Å; R47-N50 PolarHBondContact O-N 3.46Å; R47-W51 VanDerWaalsContact O-CB 3.25Å; R47-W51 WeakPolarHBondContact O-CB 3.43Å; R47-W51 PolarHBondContact O-N 2.86Å; R47-Y388 WeakPolarHBondContact CD-O 3.47Å; R47-Y388 WeakPolarHBondContact CG-O 3.45Å; R47-F389 PolarHBondContact NH1-O 3.19Å; R47-D391 HydrophobicContact CG-CB 4.23Å; R47-D391 WeakPolarHBondContact CG-OD1 3.27Å; R47-Y415 PolarHBondContact NH2-O 3.44Å
48Y95.4Very high94.1Very high0 Ų024.2 Ų24.20%014%0.135CC..Hα-helixtrans-58.8-49.7177.1160.1-113.3000112.1K44 L45 N50 W51 V52 R223 Y227 E361 M365K44-Y48 PolarHBondContact O-N 3.02Å; L45-Y48 HydrophobicContact CD1-CD1 4.43Å; L45-Y48 PolarHBondContact O-N 3.27Å; Y48-N50 PolarHBondContact O-N 3.23Å; Y48-W51 WeakPolarHBondContact O-CB 3.39Å; Y48-W51 PolarHBondContact O-N 2.96Å; Y48-W51 VanDerWaalsContact O-N 3.14Å; Y48-V52 HydrophobicContact CD2-CG1 4.09Å; Y48-V52 HydrophobicContact CE2-CG1 3.56Å; Y48-V52 HydrophobicContact CE2-CG2 4.39Å; Y48-V52 PolarHBondContact O-N 3.25Å; Y48-R223 HydrophobicContact CE1-CG 4Å; Y48-R223 VanDerWaalsContact OH-CD 3.27Å; Y48-R223 WeakPolarHBondContact OH-CD 3.29Å; Y48-R223 WeakPolarHBondContact OH-CG 3.46Å; Y48-Y227 VanDerWaalsContact CB-CE2 3.41Å; Y48-Y227 VanDerWaalsContact CB-CZ 3.42Å; Y48-Y227 AromaticContact CD1-CD1 3.8Å; Y48-Y227 HydrophobicContact CD1-CD1 3.8Å; Y48-Y227 AromaticContact CD1-CD2 3.47Å; Y48-Y227 HydrophobicContact CD1-CD2 3.47Å; Y48-Y227 VanDerWaalsContact CD1-CD2 3.47Å; Y48-Y227 HydrophobicContact CD1-CE1 4.3Å; Y48-Y227 HydrophobicContact CD1-CE2 4.01Å; Y48-Y227 AromaticContact CD1-CG 3.33Å; Y48-Y227 HydrophobicContact CD1-CG 3.33Å; Y48-Y227 AromaticContact CD2-CD2 3.81Å; Y48-Y227 HydrophobicContact CD2-CD2 3.81Å; Y48-Y227 AromaticContact CD2-CE2 3.97Å; Y48-Y227 HydrophobicContact CD2-CE2 3.97Å; Y48-Y227 AromaticContact CE1-CD2 3.93Å; Y48-Y227 HydrophobicContact CE1-CD2 3.93Å; Y48-Y227 AromaticContact CE1-CG 3.74Å; Y48-Y227 HydrophobicContact CE1-CG 3.74Å; Y48-Y227 HydrophobicContact CE2-CD2 4.26Å; Y48-Y227 HydrophobicContact CG-CD1 4.23Å; Y48-Y227 AromaticContact CG-CD2 3.39Å; Y48-Y227 HydrophobicContact CG-CD2 3.39Å; Y48-Y227 HydrophobicContact CG-CE1 4.34Å; Y48-Y227 AromaticContact CG-CE2 3.5Å; Y48-Y227 HydrophobicContact CG-CE2 3.5Å; Y48-Y227 AromaticContact CG-CG 3.76Å; Y48-Y227 HydrophobicContact CG-CG 3.76Å; Y48-Y227 AromaticContact CG-CZ 3.98Å; Y48-E361 HydrophobicContact CE2-CG 4.3Å; Y48-E361 PolarHBondContact OH-OE1 3.1Å; Y48-M365 HydrophobicContact CD2-CE 3.86Å; Y48-M365 HydrophobicContact CE1-CE 4.13Å; Y48-M365 HydrophobicContact CE2-CE 3.15Å; Y48-M365 WeakPolarHBondContact OH-CE 3.47Å
49L95.5Very high94.4Very high0 Ų023.7 Ų23.70%013%0.133CC..Hα-helixtrans-62.3-44.5-177.8-67.3168.7000111.1L45 S46 W51 V52 G53 I54 T56 I111 I224L45-L49 HydrophobicContact CD1-CD1 3.78Å; L45-L49 HydrophobicContact CD1-CD2 4.5Å; L45-L49 HydrophobicContact CD1-CG 4.02Å; L45-L49 HydrophobicContact CD2-CD1 4.42Å; L45-L49 HydrophobicContact CG-CD1 3.69Å; L45-L49 HydrophobicContact CG-CG 4.34Å; L45-L49 WeakPolarHBondContact O-CB 3.26Å; L45-L49 WeakPolarHBondContact O-CG 3.32Å; L45-L49 PolarHBondContact O-N 3.31Å; S46-L49 PolarHBondContact O-N 3.26Å; L49-W51 VanDerWaalsContact C-N 3.34Å; L49-W51 PolarHBondContact O-N 3.31Å; L49-V52 VanDerWaalsContact O-CG2 3.24Å; L49-V52 WeakPolarHBondContact O-CG2 3.43Å; L49-V52 PolarHBondContact O-N 3.31Å; L49-G53 PolarHBondContact O-N 3.06Å; L49-I54 CarbonylContact C-O 3.23Å; L49-I54 VanDerWaalsContact C-O 3.31Å; L49-I54 HydrophobicContact CB-CB 4.17Å; L49-I54 HydrophobicContact CB-CD1 4.12Å; L49-I54 HydrophobicContact CD2-CD1 3.42Å; L49-I54 VanDerWaalsContact CD2-CD1 3.42Å; L49-I54 HydrophobicContact CG-CD1 4.37Å; L49-I54 WeakPolarHBondContact O-CA 3.37Å; L49-I54 VanDerWaalsContact O-CB 3.27Å; L49-I54 WeakPolarHBondContact O-CB 3.42Å; L49-I54 PolarHBondContact O-N 3.36Å; L49-T56 HydrophobicContact CB-CG2 4.34Å; L49-T56 WeakPolarHBondContact CB-OG1 3.5Å; L49-T56 HydrophobicContact CD1-CG2 3.86Å; L49-I111 HydrophobicContact CD1-CD1 3.79Å; L49-I111 HydrophobicContact CD1-CG2 4.21Å; L49-I111 HydrophobicContact CD2-CD1 4.02Å; L49-I111 HydrophobicContact CG-CD1 4.42Å; L49-I224 HydrophobicContact CD1-CG1 4.45Å; L49-I224 HydrophobicContact CD2-CG1 4.39Å
50N95.2Very high94.7Very high61 Ų6124.5 Ų24.533%0.32614%0.136SC..Hα-helixtrans-65.1-36.8174.8-75.2-66.6000112.5S46 R47 Y48 V52 G53 I54 T56S46-N50 WeakPolarHBondContact O-CB 3.22Å; S46-N50 PolarHBondContact O-N 3.34Å; S46-N50 PolarHBondContact O-ND2 3.3Å; S46-N50 PolarHBondContact OG-ND2 3.17Å; R47-N50 PolarHBondContact O-N 3.46Å; Y48-N50 PolarHBondContact O-N 3.23Å; N50-V52 PolarHBondContact O-N 3.42Å; N50-G53 PolarHBondContact O-N 2.91Å; N50-I54 WeakPolarHBondContact CA-O 3.41Å; N50-I54 PolarHBondContact N-O 3.21Å; N50-I54 PolarHBondContact OD1-O 3.44Å; N50-T56 PolarHBondContact ND2-O 3.18Å; N50-T56 PolarHBondContact OD1-N 3.48Å; N50-T56 PolarHBondContact OD1-O 2.91Å
51W95.6Very high95.1Very high15 Ų1524.4 Ų24.46%0.05714%0.137CC..Hα-helixtrans-63-40.1178.2177.981.5000112.2R47 Y48 L49 G53 V357 L360 E361 I364 C384 Y388R47-W51 VanDerWaalsContact O-CB 3.25Å; R47-W51 WeakPolarHBondContact O-CB 3.43Å; R47-W51 PolarHBondContact O-N 2.86Å; Y48-W51 WeakPolarHBondContact O-CB 3.39Å; Y48-W51 PolarHBondContact O-N 2.96Å; Y48-W51 VanDerWaalsContact O-N 3.14Å; L49-W51 VanDerWaalsContact C-N 3.34Å; L49-W51 PolarHBondContact O-N 3.31Å; W51-G53 PolarHBondContact O-N 3.42Å; W51-V357 HydrophobicContact CD2-CG1 4.13Å; W51-V357 HydrophobicContact CE3-CG1 4.23Å; W51-V357 HydrophobicContact CH2-CG1 4.03Å; W51-V357 WeakPolarHBondContact CH2-O 3.43Å; W51-V357 HydrophobicContact CZ2-CB 4.35Å; W51-V357 HydrophobicContact CZ2-CG1 3.96Å; W51-V357 HydrophobicContact CZ2-CG2 4.26Å; W51-V357 HydrophobicContact CZ3-CG1 4.16Å; W51-V357 VanDerWaalsContact O-CG1 3.28Å; W51-V357 WeakPolarHBondContact O-CG1 3.28Å; W51-L360 HydrophobicContact CH2-CB 3.86Å; W51-L360 HydrophobicContact CZ2-CB 4.17Å; W51-E361 HydrophobicContact CZ3-CB 4.29Å; W51-I364 HydrophobicContact CE3-CG1 4.25Å; W51-I364 HydrophobicContact CH2-CB 4.48Å; W51-I364 HydrophobicContact CH2-CD1 4.43Å; W51-I364 HydrophobicContact CH2-CG1 3.45Å; W51-I364 VanDerWaalsContact CH2-CG1 3.45Å; W51-I364 HydrophobicContact CZ2-CD1 4.38Å; W51-I364 HydrophobicContact CZ2-CG1 3.85Å; W51-I364 HydrophobicContact CZ3-CB 4.34Å; W51-I364 HydrophobicContact CZ3-CG1 3.67Å; W51-C384 PolarHBondContact NE1-O 2.83Å; W51-Y388 HydrophobicContact CB-CD2 4.03Å; W51-Y388 AromaticContact CD2-CD2 3.96Å; W51-Y388 HydrophobicContact CD2-CD2 3.96Å; W51-Y388 HydrophobicContact CD2-CG 4.45Å; W51-Y388 HydrophobicContact CE3-CD2 4.26Å; W51-Y388 AromaticContact CG-CD2 3.84Å; W51-Y388 HydrophobicContact CG-CD2 3.84Å; W51-Y388 HydrophobicContact CG-CG 4.4Å
52V93.1Very high95Very high20 Ų2024.9 Ų24.912%0.12114%0.144CC..THydrogen-bonded Turntrans-78.73.5172.9-59.70000113.8Y48 L49 N50 I54Y48-V52 HydrophobicContact CD2-CG1 4.09Å; Y48-V52 HydrophobicContact CE2-CG1 3.56Å; Y48-V52 HydrophobicContact CE2-CG2 4.39Å; Y48-V52 PolarHBondContact O-N 3.25Å; L49-V52 VanDerWaalsContact O-CG2 3.24Å; L49-V52 WeakPolarHBondContact O-CG2 3.43Å; L49-V52 PolarHBondContact O-N 3.31Å; N50-V52 PolarHBondContact O-N 3.42Å; V52-I54 HydrophobicContact CG2-CD1 3.34Å; V52-I54 HydrophobicContact CG2-CG1 3.81Å
53G91.1Very high94.9Very high51 Ų5126.6 Ų26.653%0.52616%0.158SC..THydrogen-bonded Turntrans95.113.2174.600000115.7L49 N50 W51L49-G53 PolarHBondContact O-N 3.06Å; N50-G53 PolarHBondContact O-N 2.91Å; W51-G53 PolarHBondContact O-N 3.42Å
54I92.5Very high95.1Very high1 Ų126.6 Ų26.61%0.00516%0.155CC..  trans-97.7105.1178.9-47.9154.4000109.1W17 L49 N50 V52 T56 K110 I111W17-I54 HydrophobicContact CD2-CD1 4.02Å; W17-I54 HydrophobicContact CD2-CG1 3.49Å; W17-I54 VanDerWaalsContact CD2-CG1 3.49Å; W17-I54 HydrophobicContact CE3-CG1 3.83Å; W17-I54 HydrophobicContact CE3-CG2 4.32Å; W17-I54 HydrophobicContact CG-CG1 4.12Å; W17-I54 HydrophobicContact CH2-CB 4.04Å; W17-I54 HydrophobicContact CH2-CD1 3.68Å; W17-I54 HydrophobicContact CH2-CG1 3.55Å; W17-I54 HydrophobicContact CH2-CG2 3.29Å; W17-I54 HydrophobicContact CZ2-CB 4.18Å; W17-I54 HydrophobicContact CZ2-CD1 2.98Å; W17-I54 HydrophobicContact CZ2-CG1 3.25Å; W17-I54 HydrophobicContact CZ2-CG2 3.88Å; W17-I54 HydrophobicContact CZ3-CB 4.28Å; W17-I54 HydrophobicContact CZ3-CD1 4.46Å; W17-I54 HydrophobicContact CZ3-CG1 3.84Å; W17-I54 HydrophobicContact CZ3-CG2 3.57Å; W17-I54 VanDerWaalsContact NE1-CD1 3.31Å; L49-I54 CarbonylContact C-O 3.23Å; L49-I54 VanDerWaalsContact C-O 3.31Å; L49-I54 HydrophobicContact CB-CB 4.17Å; L49-I54 HydrophobicContact CB-CD1 4.12Å; L49-I54 HydrophobicContact CD2-CD1 3.42Å; L49-I54 VanDerWaalsContact CD2-CD1 3.42Å; L49-I54 HydrophobicContact CG-CD1 4.37Å; L49-I54 WeakPolarHBondContact O-CA 3.37Å; L49-I54 VanDerWaalsContact O-CB 3.27Å; L49-I54 WeakPolarHBondContact O-CB 3.42Å; L49-I54 PolarHBondContact O-N 3.36Å; N50-I54 WeakPolarHBondContact CA-O 3.41Å; N50-I54 PolarHBondContact N-O 3.21Å; N50-I54 PolarHBondContact OD1-O 3.44Å; V52-I54 HydrophobicContact CG2-CD1 3.34Å; V52-I54 HydrophobicContact CG2-CG1 3.81Å; I54-T56 PolarHBondContact O-N 2.77Å; I54-T56 PolarHBondContact O-OG1 3.09Å; I54-K110 HydrophobicContact CG2-CB 4.01Å; I54-I111 HydrophobicContact CG2-CD1 3.57Å; I54-I111 HydrophobicContact CG2-CG1 3.93Å
55N94Very high95.1Very high65 Ų6527.4 Ų27.435%0.34816%0.158SC..  trans-56.1108.2178.4-68.8-15000110.3W103 V108 K110 I111N55-W103 VanDerWaalsContact O-CH2 3.28Å; N55-W103 WeakPolarHBondContact O-CH2 3.43Å; N55-V108 WeakPolarHBondContact CB-O 3.49Å; N55-V108 PolarHBondContact ND2-O 3.15Å; N55-K110 PolarHBondContact O-N 3.14Å; N55-I111 PolarHBondContact O-N 3.27Å
56T96.9Very high94.9Very high8 Ų831.4 Ų31.45%0.04917%0.173CC..EExtended strand (participates in β ladder)trans-129.9135.2-173.6-57.50000110.5L49 N50 I54 I111 V113L49-T56 HydrophobicContact CB-CG2 4.34Å; L49-T56 WeakPolarHBondContact CB-OG1 3.5Å; L49-T56 HydrophobicContact CD1-CG2 3.86Å; N50-T56 PolarHBondContact ND2-O 3.18Å; N50-T56 PolarHBondContact OD1-N 3.48Å; N50-T56 PolarHBondContact OD1-O 2.91Å; I54-T56 PolarHBondContact O-N 2.77Å; I54-T56 PolarHBondContact O-OG1 3.09Å; T56-I111 WeakPolarHBondContact CA-O 3.3Å; T56-I111 HydrophobicContact CG2-CB 4.02Å; T56-I111 HydrophobicContact CG2-CG2 4.03Å; T56-I111 WeakPolarHBondContact CG2-O 3.33Å; T56-V113 HydrophobicContact CG2-CG2 4.08Å
57R97.7Very high94.6Very high122 Ų12237.3 Ų37.346%0.4620%0.202SC..EExtended strand (participates in β ladder)trans-131.5140.2177.7-175.6171.9177-176.8-1.2112.1F59 W103 I111 A112 V113R57-F59 HydrophobicContact CB-CE2 3.83Å; R57-F59 HydrophobicContact CB-CZ 4.29Å; R57-F59 HydrophobicContact CG-CD2 4.37Å; R57-F59 HydrophobicContact CG-CE2 3.75Å; R57-F59 HydrophobicContact CG-CZ 3.92Å; R57-W103 HydrophobicContact CB-CD2 4.05Å; R57-W103 HydrophobicContact CB-CE3 4.19Å; R57-W103 HydrophobicContact CB-CH2 3.71Å; R57-W103 HydrophobicContact CB-CZ2 3.57Å; R57-W103 HydrophobicContact CB-CZ3 4.05Å; R57-I111 PolarHBondContact N-O 3.39Å; R57-I111 VanDerWaalsContact N-O 3.1Å; R57-A112 WeakPolarHBondContact O-CA 3.33Å; R57-V113 PolarHBondContact O-N 3.36Å
58V98Very high94.2Very high44 Ų4440.3 Ų40.327%0.26722%0.217SC..EExtended strand (participates in β ladder)trans-94.8128.4175-174.80000110.3V113 D115V58-V113 HydrophobicContact CB-CB 4.47Å; V58-V113 HydrophobicContact CG1-CB 4.42Å; V58-V113 HydrophobicContact CG2-CB 4.14Å; V58-V113 HydrophobicContact CG2-CG2 4.37Å; V58-D115 HydrophobicContact CG1-CB 3.89Å
59F98.3Very high93.6Very high2 Ų242.6 Ų42.61%0.00923%0.228CC..EExtended strand (participates in β ladder)trans-109.790.7173.7-64-96.1000108.1R57 D99 L100 W103 A112 V113 D115R57-F59 HydrophobicContact CB-CE2 3.83Å; R57-F59 HydrophobicContact CB-CZ 4.29Å; R57-F59 HydrophobicContact CG-CD2 4.37Å; R57-F59 HydrophobicContact CG-CE2 3.75Å; R57-F59 HydrophobicContact CG-CZ 3.92Å; F59-D99 HydrophobicContact CD1-CB 4.12Å; F59-D99 HydrophobicContact CE1-CB 3.93Å; F59-L100 HydrophobicContact CB-CB 4.39Å; F59-L100 HydrophobicContact CB-CD1 4.22Å; F59-L100 HydrophobicContact CD1-CB 3.94Å; F59-L100 HydrophobicContact CD2-CB 3.85Å; F59-L100 HydrophobicContact CD2-CD1 3.75Å; F59-L100 HydrophobicContact CD2-CG 3.83Å; F59-L100 HydrophobicContact CE1-CB 4.19Å; F59-L100 HydrophobicContact CE2-CB 4.09Å; F59-L100 HydrophobicContact CE2-CD1 4.44Å; F59-L100 HydrophobicContact CE2-CG 4.07Å; F59-L100 HydrophobicContact CG-CB 3.78Å; F59-L100 HydrophobicContact CG-CD1 4.1Å; F59-L100 HydrophobicContact CG-CG 4.23Å; F59-L100 HydrophobicContact CZ-CB 4.27Å; F59-W103 HydrophobicContact CE1-CB 4.48Å; F59-W103 HydrophobicContact CE2-CD2 4.36Å; F59-W103 HydrophobicContact CE2-CE3 4.08Å; F59-W103 HydrophobicContact CZ-CB 3.67Å; F59-W103 HydrophobicContact CZ-CD2 4.17Å; F59-W103 HydrophobicContact CZ-CE3 4.29Å; F59-W103 AromaticContact CZ-CG 3.93Å; F59-W103 HydrophobicContact CZ-CG 3.93Å; F59-A112 HydrophobicContact CD2-CB 3.97Å; F59-A112 HydrophobicContact CE2-CB 3.74Å; F59-V113 PolarHBondContact N-O 3.29Å; F59-D115 PolarHBondContact O-N 3.43Å
60N96.4Very high92.3Very high38 Ų3851.8 Ų51.820%0.20327%0.268CS..EExtended strand (participates in β ladder)trans-88.2108.1-177-177-78.9000110.8G62 A63 Y64 D115N60-G62 PolarHBondContact O-N 2.89Å; N60-G62 VanDerWaalsContact O-N 3.11Å; N60-G62 VanDerWaalsContact OD1-CA 3.32Å; N60-G62 WeakPolarHBondContact OD1-CA 3.41Å; N60-G62 PolarHBondContact OD1-N 2.9Å; N60-G62 VanDerWaalsContact OD1-N 3.09Å; N60-A63 HydrophobicContact CB-CB 4.19Å; N60-A63 WeakPolarHBondContact O-CA 3.48Å; N60-A63 VanDerWaalsContact O-CB 3.31Å; N60-A63 WeakPolarHBondContact O-CB 3.47Å; N60-A63 PolarHBondContact O-N 2.96Å; N60-A63 PolarHBondContact OD1-N 3.19Å; N60-Y64 WeakPolarHBondContact O-CD2 3.28Å; N60-Y64 PolarHBondContact O-N 3.14Å; N60-D115 WeakPolarHBondContact CA-O 3.34Å; N60-D115 HydrophobicContact CB-CB 4.29Å; N60-D115 VanDerWaalsContact ND2-CG 3.29Å; N60-D115 PolarHBondContact ND2-OD2 2.78Å
61V96.4Very high91.2Very high20 Ų2055.3 Ų55.312%0.12129%0.287CS..Hα-helixtrans-58.6-30.1-177.2177.20000112.1A63 Y64 R65 I92 A93 A96 F114 D115 A116V61-A63 VanDerWaalsContact C-N 3.32Å; V61-A63 PolarHBondContact O-N 3.37Å; V61-Y64 PolarHBondContact O-N 3.39Å; V61-R65 PolarHBondContact O-N 2.63Å; V61-I92 HydrophobicContact CG1-CG2 3.98Å; V61-A93 HydrophobicContact CG1-CB 4.28Å; V61-A96 HydrophobicContact CG2-CB 3.96Å; V61-F114 HydrophobicContact CG2-CD2 4.49Å; V61-F114 HydrophobicContact CG2-CE1 4.02Å; V61-F114 HydrophobicContact CG2-CE2 3.74Å; V61-F114 HydrophobicContact CG2-CZ 3.47Å; V61-F114 VanDerWaalsContact CG2-CZ 3.47Å; V61-D115 PolarHBondContact N-O 2.95Å; V61-A116 HydrophobicContact CB-CB 3.92Å; V61-A116 HydrophobicContact CG2-CB 3.68Å
62G92.5Very high90.1Very high18 Ų1858.2 Ų58.219%0.18630%0.298CS..Hα-helixtrans-64.5-33.4173.400000113.5N60 R66N60-G62 PolarHBondContact O-N 2.89Å; N60-G62 VanDerWaalsContact O-N 3.11Å; N60-G62 VanDerWaalsContact OD1-CA 3.32Å; N60-G62 WeakPolarHBondContact OD1-CA 3.41Å; N60-G62 PolarHBondContact OD1-N 2.9Å; N60-G62 VanDerWaalsContact OD1-N 3.09Å; G62-R66 WeakPolarHBondContact O-CG 3.37Å; G62-R66 VanDerWaalsContact O-CZ 3.24Å; G62-R66 PolarHBondContact O-N 3.36Å; G62-R66 VanDerWaalsContact O-N 3.13Å; G62-R66 PolarHBondContact O-NH1 3.07Å
63A92.6Very high89.3Confident37 Ų3759.5 Ų59.531%0.30630%0.304SS..Hα-helixtrans-70-42.9175.100000111.4N60 V61 R65 R66 L67N60-A63 HydrophobicContact CB-CB 4.19Å; N60-A63 WeakPolarHBondContact O-CA 3.48Å; N60-A63 VanDerWaalsContact O-CB 3.31Å; N60-A63 WeakPolarHBondContact O-CB 3.47Å; N60-A63 PolarHBondContact O-N 2.96Å; N60-A63 PolarHBondContact OD1-N 3.19Å; V61-A63 VanDerWaalsContact C-N 3.32Å; V61-A63 PolarHBondContact O-N 3.37Å; A63-R65 VanDerWaalsContact C-N 3.33Å; A63-R65 PolarHBondContact O-N 2.96Å; A63-R66 VanDerWaalsContact CA-NH2 3.31Å; A63-R66 PolarHBondContact O-N 2.89Å; A63-L67 WeakPolarHBondContact O-CG 3.35Å; A63-L67 PolarHBondContact O-N 2.93Å; A63-L67 VanDerWaalsContact O-N 3.1Å
64Y95.4Very high89.1Confident34 Ų3460.1 Ų60.113%0.13330%0.296CS..Hα-helixtrans-58.3-45.8173.1-78.1-103.5000111.4N60 V61 R66 L67 Q68 A96 D99N60-Y64 WeakPolarHBondContact O-CD2 3.28Å; N60-Y64 PolarHBondContact O-N 3.14Å; V61-Y64 PolarHBondContact O-N 3.39Å; Y64-R66 VanDerWaalsContact C-N 3.33Å; Y64-R66 PolarHBondContact O-N 2.86Å; Y64-L67 PolarHBondContact O-N 3.49Å; Y64-L67 VanDerWaalsContact O-N 3.16Å; Y64-Q68 PolarHBondContact O-N 2.99Å; Y64-A96 HydrophobicContact CD1-CB 4Å; Y64-A96 HydrophobicContact CD2-CB 3.74Å; Y64-A96 HydrophobicContact CE1-CB 4.14Å; Y64-A96 HydrophobicContact CE2-CB 3.9Å; Y64-A96 HydrophobicContact CG-CB 3.82Å; Y64-D99 HydrophobicContact CE1-CB 4.41Å; Y64-D99 WeakPolarHBondContact CE1-OD2 3.3Å; Y64-D99 VanDerWaalsContact CZ-OD2 3.31Å; Y64-D99 VanDerWaalsContact OH-CB 3.28Å; Y64-D99 WeakPolarHBondContact OH-CB 3.44Å; Y64-D99 PolarHBondContact OH-OD2 2.9Å
65R94Very high89Confident19 Ų1961.8 Ų61.87%0.07230%0.304CS..Hα-helixtrans-56.7-45.6175.3-171.4-153.567.1-146.4-9.6112V61 A63 L67 Q68 M69 Y77 I92 D164V61-R65 PolarHBondContact O-N 2.63Å; A63-R65 VanDerWaalsContact C-N 3.33Å; A63-R65 PolarHBondContact O-N 2.96Å; R65-L67 VanDerWaalsContact C-N 3.29Å; R65-L67 PolarHBondContact O-N 2.86Å; R65-Q68 PolarHBondContact O-N 3.38Å; R65-M69 HydrophobicContact CG-CG 4.2Å; R65-M69 VanDerWaalsContact O-CB 3.31Å; R65-M69 WeakPolarHBondContact O-CB 3.36Å; R65-M69 WeakPolarHBondContact O-CG 3.34Å; R65-M69 PolarHBondContact O-N 3.04Å; R65-Y77 HydrophobicContact CG-CE1 4.29Å; R65-I92 HydrophobicContact CB-CD1 3.95Å; R65-I92 HydrophobicContact CB-CG2 4.07Å; R65-I92 HydrophobicContact CG-CD1 3.75Å; R65-D164 IonicContact CZ-OD1 2.85Å; R65-D164 IonicContact CZ-OD2 2.83Å; R65-D164 IonicContact NH1-OD2 2.86Å; R65-D164 PolarHBondContact NH1-OD2 3.26Å; R65-D164 VanDerWaalsContact NH1-OD2 3.13Å; R65-D164 IonicContact NH2-OD1 3.27Å; R65-D164 PolarHBondContact NH2-OD1 2.96Å; R65-D164 IonicContact NH2-OD2 2.65Å; R65-D164 PolarHBondContact NH2-OD2 3.15Å
66R90.8Very high88.9Confident84 Ų8461.2 Ų61.232%0.31731%0.305SS..Hα-helixtrans-66.5-26.8179.4-75.2-175.2-70-84.9-4.8114.1G62 A63 Y64 D164G62-R66 WeakPolarHBondContact O-CG 3.37Å; G62-R66 VanDerWaalsContact O-CZ 3.24Å; G62-R66 PolarHBondContact O-N 3.36Å; G62-R66 VanDerWaalsContact O-N 3.13Å; G62-R66 PolarHBondContact O-NH1 3.07Å; A63-R66 VanDerWaalsContact CA-NH2 3.31Å; A63-R66 PolarHBondContact O-N 2.89Å; Y64-R66 VanDerWaalsContact C-N 3.33Å; Y64-R66 PolarHBondContact O-N 2.86Å; R66-D164 WeakPolarHBondContact CD-OD1 3.34Å; R66-D164 IonicContact CZ-OD1 2.66Å; R66-D164 IonicContact NE-OD1 2.73Å; R66-D164 IonicContact NH1-OD1 3.52Å; R66-D164 PolarHBondContact NH1-OD1 2.77Å
67L89.8Confident88.7Confident139 Ų13961.4 Ų61.473%0.72830%0.304SS*.Hα-helixtrans-72.1-34.2175.1-71.4171.1000111.8A63 Y64 R65A63-L67 WeakPolarHBondContact O-CG 3.35Å; A63-L67 PolarHBondContact O-N 2.93Å; A63-L67 VanDerWaalsContact O-N 3.1Å; Y64-L67 PolarHBondContact O-N 3.49Å; Y64-L67 VanDerWaalsContact O-N 3.16Å; R65-L67 VanDerWaalsContact C-N 3.29Å; R65-L67 PolarHBondContact O-N 2.86Å
68Q87Confident88.4Confident68 Ų6855.8 Ų55.832%0.31828%0.283SS..Hα-helixtrans-87.4-33.6-179.3-66.1-178.440.800113.1Y64 R65 E95Y64-Q68 PolarHBondContact O-N 2.99Å; R65-Q68 PolarHBondContact O-N 3.38Å; Q68-E95 PolarHBondContact NE2-OE2 2.98Å
69M82.2Confident88.1Confident48 Ų4854.1 Ų54.124%0.23627%0.274CS..  trans-106.494.4-177.2-58.4-68.1-90.500108.8R65 D71 N73 Y77 L88R65-M69 HydrophobicContact CG-CG 4.2Å; R65-M69 VanDerWaalsContact O-CB 3.31Å; R65-M69 WeakPolarHBondContact O-CB 3.36Å; R65-M69 WeakPolarHBondContact O-CG 3.34Å; R65-M69 PolarHBondContact O-N 3.04Å; M69-D71 VanDerWaalsContact C-N 3.29Å; M69-D71 PolarHBondContact O-N 2.93Å; M69-N73 VanDerWaalsContact CE-OD1 3.32Å; M69-N73 WeakPolarHBondContact CE-OD1 3.5Å; M69-Y77 HydrophobicContact CE-CD2 4.14Å; M69-Y77 HydrophobicContact CE-CE2 3.94Å; M69-L88 HydrophobicContact CE-CD2 3.58Å; M69-L88 HydrophobicContact CG-CD2 4.33Å; M69-L88 HydrophobicContact SD-CD2 3.42Å; M69-L88 WeakPolarHBondContact SD-CD2 3.47Å
70K69.7Low87.6Confident194 Ų19457.2 Ų57.284%0.84329%0.29SS*.  trans-68.8-27.6-177.4-70.5-175.1178.5178.40113.3
71D72Confident87.4Confident134 Ų13463.2 Ų63.272%0.71732%0.317SS*.SBendtrans-98.2158.7-175.1-60.3-44.7000112.9M69 N73M69-D71 VanDerWaalsContact C-N 3.29Å; M69-D71 PolarHBondContact O-N 2.93Å; D71-N73 PolarHBondContact O-N 2.77Å; D71-N73 PolarHBondContact O-ND2 3.13Å
72Y71.5Confident87.2Confident77 Ų7764.6 Ų64.630%0.30232%0.324SS..  trans-55.4130.4171.4173.7-108.9000110D74 D164 Y165 I168 D176Y72-D74 HydrophobicContact CE1-CB 3.75Å; Y72-D164 VanDerWaalsContact CD2-O 3.23Å; Y72-D164 WeakPolarHBondContact CD2-O 3.48Å; Y72-Y165 AromaticContact CE2-CD1 3.69Å; Y72-Y165 HydrophobicContact CE2-CD1 3.69Å; Y72-Y165 AromaticContact CE2-CE1 3.67Å; Y72-Y165 HydrophobicContact CE2-CE1 3.67Å; Y72-I168 HydrophobicContact CD1-CD1 3.97Å; Y72-I168 HydrophobicContact CD1-CG1 4.5Å; Y72-I168 HydrophobicContact CD2-CD1 4.05Å; Y72-I168 HydrophobicContact CD2-CG1 3.73Å; Y72-I168 HydrophobicContact CE1-CD1 4.1Å; Y72-I168 HydrophobicContact CE1-CG1 4.44Å; Y72-I168 HydrophobicContact CE2-CD1 4.2Å; Y72-I168 HydrophobicContact CE2-CG1 3.69Å; Y72-I168 HydrophobicContact CG-CD1 3.93Å; Y72-I168 HydrophobicContact CG-CG1 4.14Å; Y72-D176 PolarHBondContact OH-OD1 2.92Å; Y72-D176 PolarHBondContact OH-OD2 3.15Å
73N76.1Confident87.2Confident46 Ų4670 Ų7025%0.24635%0.348CS..  trans-117.6116.8171.9-71.7-83.8000107.5M69 D71 Y77M69-N73 VanDerWaalsContact CE-OD1 3.32Å; M69-N73 WeakPolarHBondContact CE-OD1 3.5Å; D71-N73 PolarHBondContact O-N 2.77Å; D71-N73 PolarHBondContact O-ND2 3.13Å; N73-Y77 HydrophobicContact CB-CD1 4.33Å; N73-Y77 HydrophobicContact CB-CG 3.98Å
74D86.5Confident87.1Confident65 Ų6575.8 Ų75.835%0.34837%0.369SS..  trans-66.9179.5175.975.18.3000111.4Y72 S76 Y77 D176Y72-D74 HydrophobicContact CE1-CB 3.75Å; D74-S76 PolarHBondContact O-N 3.46Å; D74-S76 VanDerWaalsContact O-N 3.08Å; D74-S76 WeakPolarHBondContact OD1-CA 3.41Å; D74-S76 WeakPolarHBondContact OD1-CB 3.47Å; D74-S76 PolarHBondContact OD1-N 2.77Å; D74-S76 PolarHBondContact OD1-OG 3.33Å; D74-Y77 WeakPolarHBondContact O-CB 3.38Å; D74-Y77 PolarHBondContact O-N 3.36Å; D74-D176 WeakPolarHBondContact CA-OD1 3.45Å; D74-D176 WeakPolarHBondContact CB-OD1 3.34Å
75H92.3Very high86.9Confident36 Ų3674.3 Ų74.317%0.16736%0.364CS..G310 helixtrans-57.9-24.8-179.571.273.2000113.4Y77 F78 D176 K179 R180 H183H75-Y77 VanDerWaalsContact C-N 3.26Å; H75-Y77 PolarHBondContact O-N 2.8Å; H75-F78 WeakPolarHBondContact O-CB 3.38Å; H75-F78 PolarHBondContact O-N 3.35Å; H75-D176 WeakPolarHBondContact CB-O 3.33Å; H75-D176 WeakPolarHBondContact CB-OD1 3.4Å; H75-D176 IonicContact CD2-OD1 3.71Å; H75-D176 PolarHBondContact CD2-OD1 3.03Å; H75-D176 VanDerWaalsContact CD2-OD1 3.27Å; H75-D176 IonicContact CG-OD1 2.84Å; H75-D176 PolarHBondContact N-OD1 3.2Å; H75-D176 PolarHBondContact N-OD2 2.96Å; H75-K179 HydrophobicContact CB-CB 3.88Å; H75-K179 WeakPolarHBondContact CD2-CD 3.5Å; H75-K179 WeakPolarHBondContact NE2-CD 3.31Å; H75-R180 HydrophobicContact CB-CB 4.03Å; H75-H183 AromaticContact CE1-NE2 3.91Å; H75-H183 AromaticContact CG-NE2 4Å; H75-H183 AromaticContact ND1-CD2 3.76Å; H75-H183 AromaticContact ND1-NE2 3.07Å; H75-H183 PolarHBondContact ND1-NE2 3.49Å; H75-H183 PolarHBondContact O-CD2 3.41Å; H75-H183 VanDerWaalsContact O-CD2 3.29Å
76S91.7Very high86.8Confident53 Ų5376 Ų7637%0.37138%0.377SS..G310 helixtrans-66.4-29.8-177.380.10000111.8D74 F78 S79 N82D74-S76 PolarHBondContact O-N 3.46Å; D74-S76 VanDerWaalsContact O-N 3.08Å; D74-S76 WeakPolarHBondContact OD1-CA 3.41Å; D74-S76 WeakPolarHBondContact OD1-CB 3.47Å; D74-S76 PolarHBondContact OD1-N 2.77Å; D74-S76 PolarHBondContact OD1-OG 3.33Å; S76-F78 PolarHBondContact O-N 3.24Å; S76-F78 VanDerWaalsContact O-N 3.13Å; S76-S79 WeakPolarHBondContact O-CB 3.37Å; S76-S79 PolarHBondContact O-N 3.41Å; S76-S79 VanDerWaalsContact O-N 3.09Å; S76-N82 PolarHBondContact O-ND2 3.11Å
77Y91.8Very high86.9Confident11 Ų1174.9 Ų74.94%0.04339%0.386CS..G310 helixtrans-57.7-25.1169.8168.9-95.9000112.3R65 M69 N73 D74 H75 L88 R89R65-Y77 HydrophobicContact CG-CE1 4.29Å; M69-Y77 HydrophobicContact CE-CD2 4.14Å; M69-Y77 HydrophobicContact CE-CE2 3.94Å; N73-Y77 HydrophobicContact CB-CD1 4.33Å; N73-Y77 HydrophobicContact CB-CG 3.98Å; D74-Y77 WeakPolarHBondContact O-CB 3.38Å; D74-Y77 PolarHBondContact O-N 3.36Å; H75-Y77 VanDerWaalsContact C-N 3.26Å; H75-Y77 PolarHBondContact O-N 2.8Å; Y77-L88 HydrophobicContact CE2-CB 4.48Å; Y77-L88 HydrophobicContact CE2-CD2 4.08Å; Y77-R89 HydrophobicContact CE1-CG 3.84Å; Y77-R89 PolarHBondContact O-NH1 3.06Å; Y77-R89 VanDerWaalsContact OH-CG 3.28Å; Y77-R89 WeakPolarHBondContact OH-CG 3.31Å
78F91.8Very high87Confident4 Ų470.1 Ų70.12%0.01836%0.361CS..G310 helixtrans-96.7-4.8-179.6-56.6-80.2000114H75 S76 R89 R180 Y184H75-F78 WeakPolarHBondContact O-CB 3.38Å; H75-F78 PolarHBondContact O-N 3.35Å; S76-F78 PolarHBondContact O-N 3.24Å; S76-F78 VanDerWaalsContact O-N 3.13Å; F78-R89 PolarHBondContact O-NH1 2.99Å; F78-R180 HydrophobicContact CB-CG 4.17Å; F78-R180 HydrophobicContact CD2-CB 4.39Å; F78-R180 HydrophobicContact CD2-CG 3.69Å; F78-R180 HydrophobicContact CE2-CG 4.22Å; F78-R180 HydrophobicContact CG-CG 3.86Å; F78-Y184 HydrophobicContact CB-CE2 4.24Å; F78-Y184 HydrophobicContact CD1-CE2 4.06Å; F78-Y184 VanDerWaalsContact CD1-OH 3.25Å; F78-Y184 WeakPolarHBondContact CD1-OH 3.45Å; F78-Y184 HydrophobicContact CG-CE2 4.3Å
79S92.2Very high87.4Confident9 Ų968 Ų686%0.06335%0.35CS..  trans-65.2149.8174-174.30000110.8S76 E81 R89S76-S79 WeakPolarHBondContact O-CB 3.37Å; S76-S79 PolarHBondContact O-N 3.41Å; S76-S79 VanDerWaalsContact O-N 3.09Å; S79-E81 PolarHBondContact OG-N 3.43Å; S79-R89 PolarHBondContact O-NH1 3.12Å; S79-R89 PolarHBondContact O-NH2 3.4Å
80D87.3Confident88Confident68 Ų6869.2 Ų69.236%0.36436%0.355SS..SBendtrans-85.1-14.9170.8-73.7-14.5000112.3N82 R89 R187D80-N82 PolarHBondContact O-N 3.49Å; D80-R89 IonicContact OD1-NH2 3.21Å; D80-R89 PolarHBondContact OD1-NH2 3.38Å; D80-R187 IonicContact OD1-CZ 2.68Å; D80-R187 IonicContact OD1-NH1 2.67Å; D80-R187 PolarHBondContact OD1-NH1 2.69Å; D80-R187 WeakPolarHBondContact OD2-CD 3.4Å; D80-R187 IonicContact OD2-NH1 3.58Å
81E91.6Very high89.3Confident163 Ų16365.5 Ų65.576%0.76234%0.339SS*.SBendtrans-71.2-14.7169.3-62.2169-170.700111.7S79 N83S79-E81 PolarHBondContact OG-N 3.43Å; E81-N83 PolarHBondContact O-N 3.49Å
82N92.4Very high90.5Very high49 Ų4959.2 Ų59.226%0.26231%0.305SS..  trans-9389.1174.5-177.1-6.9000110.5S76 D80 E84 G85 V86S76-N82 PolarHBondContact O-ND2 3.11Å; D80-N82 PolarHBondContact O-N 3.49Å; N82-E84 VanDerWaalsContact C-N 3.31Å; N82-E84 PolarHBondContact O-N 2.88Å; N82-E84 PolarHBondContact OD1-N 3.25Å; N82-G85 WeakPolarHBondContact O-CA 3.43Å; N82-G85 PolarHBondContact O-N 3.4Å; N82-G85 VanDerWaalsContact O-N 3.12Å; N82-G85 PolarHBondContact OD1-N 3.19Å; N82-V86 WeakPolarHBondContact O-CG2 3.38Å; N82-V86 PolarHBondContact O-N 3.34Å
83N92.5Very high91.7Very high131 Ų13155.8 Ų55.870%0.70129%0.293SS*.Hα-helixtrans-57.8-39.3-178.8-70-30.7000113.4E81 V86 A87E81-N83 PolarHBondContact O-N 3.49Å; N83-V86 PolarHBondContact O-N 2.97Å; N83-A87 PolarHBondContact O-N 3.44Å
84E91.1Very high92.8Very high160 Ų16055.1 Ų55.175%0.74829%0.291SS*.Hα-helixtrans-65.2-43.8176.2-174.2179.4-17800110.8N82 V86 A87 L88N82-E84 VanDerWaalsContact C-N 3.31Å; N82-E84 PolarHBondContact O-N 2.88Å; N82-E84 PolarHBondContact OD1-N 3.25Å; E84-V86 PolarHBondContact O-N 3.49Å; E84-A87 PolarHBondContact O-N 3.01Å; E84-L88 WeakPolarHBondContact O-CB 3.36Å; E84-L88 PolarHBondContact O-N 3.27Å
85G90.9Very high93.3Very high3 Ų355 Ų553%0.03129%0.289CS..Hα-helixtrans-59-44173.300000112.5N82 L88 R89N82-G85 WeakPolarHBondContact O-CA 3.43Å; N82-G85 PolarHBondContact O-N 3.4Å; N82-G85 VanDerWaalsContact O-N 3.12Å; N82-G85 PolarHBondContact OD1-N 3.19Å; G85-L88 PolarHBondContact O-N 3.08Å; G85-R89 WeakPolarHBondContact O-CB 3.47Å; G85-R89 WeakPolarHBondContact O-CG 3.39Å; G85-R89 PolarHBondContact O-N 2.89Å
86V91.9Very high93.6Very high54 Ų5453.3 Ų53.333%0.32728%0.281SS..Hα-helixtrans-59.1-51.4175.2173.70000110.9N82 N83 E84 L88 R89 Q90N82-V86 WeakPolarHBondContact O-CG2 3.38Å; N82-V86 PolarHBondContact O-N 3.34Å; N83-V86 PolarHBondContact O-N 2.97Å; E84-V86 PolarHBondContact O-N 3.49Å; V86-L88 VanDerWaalsContact C-N 3.33Å; V86-L88 PolarHBondContact O-N 2.82Å; V86-R89 PolarHBondContact O-N 3.46Å; V86-Q90 PolarHBondContact O-N 3.39Å
87A93.3Very high94Very high61 Ų6150.8 Ų50.850%0.50426%0.263SS..Hα-helixtrans-60.8-42.6-179.400000111.7N83 E84 Q90 K91N83-A87 PolarHBondContact O-N 3.44Å; E84-A87 PolarHBondContact O-N 3.01Å; A87-Q90 WeakPolarHBondContact O-CB 3.4Å; A87-Q90 PolarHBondContact O-N 3.42Å; A87-K91 PolarHBondContact O-N 3.22Å
88L92.6Very high94.3Very high39 Ų3953.2 Ų53.220%0.20428%0.277CS..Hα-helixtrans-68.9-41.2179-171.755.6000112.1M69 Y77 E84 G85 V86 Q90 K91 I92M69-L88 HydrophobicContact CE-CD2 3.58Å; M69-L88 HydrophobicContact CG-CD2 4.33Å; M69-L88 HydrophobicContact SD-CD2 3.42Å; M69-L88 WeakPolarHBondContact SD-CD2 3.47Å; Y77-L88 HydrophobicContact CE2-CB 4.48Å; Y77-L88 HydrophobicContact CE2-CD2 4.08Å; E84-L88 WeakPolarHBondContact O-CB 3.36Å; E84-L88 PolarHBondContact O-N 3.27Å; G85-L88 PolarHBondContact O-N 3.08Å; V86-L88 VanDerWaalsContact C-N 3.33Å; V86-L88 PolarHBondContact O-N 2.82Å; L88-Q90 VanDerWaalsContact C-N 3.29Å; L88-Q90 PolarHBondContact O-N 3.18Å; L88-K91 HydrophobicContact CD1-CD 4.41Å; L88-K91 PolarHBondContact O-N 3.21Å; L88-I92 HydrophobicContact CD1-CD1 4.1Å; L88-I92 HydrophobicContact CD1-CG1 4.29Å; L88-I92 HydrophobicContact CG-CD1 3.81Å; L88-I92 HydrophobicContact CG-CG1 4.47Å; L88-I92 WeakPolarHBondContact O-CB 3.48Å; L88-I92 WeakPolarHBondContact O-CD1 3.44Å; L88-I92 VanDerWaalsContact O-CG1 3.23Å; L88-I92 WeakPolarHBondContact O-CG1 3.22Å; L88-I92 PolarHBondContact O-N 2.8Å
89R94.1Very high94.6Very high24 Ų2456.7 Ų56.79%0.09130%0.296CS..Hα-helixtrans-59.7-40173.3-72.2-177.6-46.9-113.814.4111.5Y77 F78 S79 D80 G85 V86 A93Y77-R89 HydrophobicContact CE1-CG 3.84Å; Y77-R89 PolarHBondContact O-NH1 3.06Å; Y77-R89 VanDerWaalsContact OH-CG 3.28Å; Y77-R89 WeakPolarHBondContact OH-CG 3.31Å; F78-R89 PolarHBondContact O-NH1 2.99Å; S79-R89 PolarHBondContact O-NH1 3.12Å; S79-R89 PolarHBondContact O-NH2 3.4Å; D80-R89 IonicContact OD1-NH2 3.21Å; D80-R89 PolarHBondContact OD1-NH2 3.38Å; G85-R89 WeakPolarHBondContact O-CB 3.47Å; G85-R89 WeakPolarHBondContact O-CG 3.39Å; G85-R89 PolarHBondContact O-N 2.89Å; V86-R89 PolarHBondContact O-N 3.46Å; R89-A93 WeakPolarHBondContact O-CB 3.47Å; R89-A93 PolarHBondContact O-N 2.87Å
90Q95.8Very high94.9Very high73 Ų7356.3 Ų56.334%0.34129%0.293SS..Hα-helixtrans-63.4-47.6175179.364.237.400111.7V86 A87 L88 A93 S94 R123V86-Q90 PolarHBondContact O-N 3.39Å; A87-Q90 WeakPolarHBondContact O-CB 3.4Å; A87-Q90 PolarHBondContact O-N 3.42Å; L88-Q90 VanDerWaalsContact C-N 3.29Å; L88-Q90 PolarHBondContact O-N 3.18Å; Q90-A93 PolarHBondContact O-N 3.24Å; Q90-S94 PolarHBondContact O-N 3.26Å; Q90-R123 VanDerWaalsContact NE2-NH1 3.18Å
91K96.4Very high95.5Very high116 Ų11653.6 Ų53.650%0.50428%0.278SS..Hα-helixtrans-58.5-50.5178.6-176.4-174.1175.2-1680111.4A87 L88 A93 S94 E95A87-K91 PolarHBondContact O-N 3.22Å; L88-K91 HydrophobicContact CD1-CD 4.41Å; L88-K91 PolarHBondContact O-N 3.21Å; K91-A93 VanDerWaalsContact C-N 3.32Å; K91-A93 PolarHBondContact O-N 3.08Å; K91-S94 WeakPolarHBondContact O-CA 3.41Å; K91-S94 WeakPolarHBondContact O-CB 3.39Å; K91-S94 PolarHBondContact O-N 2.72Å; K91-E95 WeakPolarHBondContact CE-OE1 3.45Å; K91-E95 PolarHBondContact O-N 2.97Å
92I96.6Very high95.8Very high1 Ų149.5 Ų49.51%0.00527%0.268CS..Hα-helixtrans-60.7-42.1178.9-67.2162.4000111.3V61 R65 L88 S94 E95 A96V61-I92 HydrophobicContact CG1-CG2 3.98Å; R65-I92 HydrophobicContact CB-CD1 3.95Å; R65-I92 HydrophobicContact CB-CG2 4.07Å; R65-I92 HydrophobicContact CG-CD1 3.75Å; L88-I92 HydrophobicContact CD1-CD1 4.1Å; L88-I92 HydrophobicContact CD1-CG1 4.29Å; L88-I92 HydrophobicContact CG-CD1 3.81Å; L88-I92 HydrophobicContact CG-CG1 4.47Å; L88-I92 WeakPolarHBondContact O-CB 3.48Å; L88-I92 WeakPolarHBondContact O-CD1 3.44Å; L88-I92 VanDerWaalsContact O-CG1 3.23Å; L88-I92 WeakPolarHBondContact O-CG1 3.22Å; L88-I92 PolarHBondContact O-N 2.8Å; I92-S94 VanDerWaalsContact C-N 3.3Å; I92-S94 PolarHBondContact O-N 2.87Å; I92-E95 PolarHBondContact O-N 3.05Å; I92-A96 WeakPolarHBondContact O-CB 3.32Å; I92-A96 PolarHBondContact O-N 3.33Å; I92-A96 VanDerWaalsContact O-N 3.08Å
93A97.8Very high96Very high6 Ų649.3 Ų49.35%0.0526%0.264CS..Hα-helixtrans-63.7-37.1175.800000111.8V61 R89 Q90 K91 L97 F114 W126V61-A93 HydrophobicContact CG1-CB 4.28Å; R89-A93 WeakPolarHBondContact O-CB 3.47Å; R89-A93 PolarHBondContact O-N 2.87Å; Q90-A93 PolarHBondContact O-N 3.24Å; K91-A93 VanDerWaalsContact C-N 3.32Å; K91-A93 PolarHBondContact O-N 3.08Å; A93-L97 WeakPolarHBondContact O-CB 3.29Å; A93-L97 PolarHBondContact O-N 2.91Å; A93-L97 VanDerWaalsContact O-N 3.09Å; A93-F114 HydrophobicContact CB-CZ 4.42Å; A93-W126 HydrophobicContact CB-CH2 4.24Å; A93-W126 HydrophobicContact CB-CZ3 4.34Å
94S98.2Very high96.2Very high31 Ų3143.1 Ų43.122%0.21723%0.23CC..Hα-helixtrans-63.9-49.3175.4-165.40000111.5Q90 K91 I92 A96 L97 D98Q90-S94 PolarHBondContact O-N 3.26Å; K91-S94 WeakPolarHBondContact O-CA 3.41Å; K91-S94 WeakPolarHBondContact O-CB 3.39Å; K91-S94 PolarHBondContact O-N 2.72Å; I92-S94 VanDerWaalsContact C-N 3.3Å; I92-S94 PolarHBondContact O-N 2.87Å; S94-A96 VanDerWaalsContact C-N 3.32Å; S94-A96 PolarHBondContact O-N 2.69Å; S94-L97 CarbonylContact O-C 3.55Å; S94-L97 WeakPolarHBondContact O-CA 3.44Å; S94-L97 WeakPolarHBondContact O-CB 3.2Å; S94-L97 PolarHBondContact O-N 3.13Å; S94-D98 PolarHBondContact O-N 3.4Å
95E98.3Very high96.4Very high63 Ų6339.5 Ų39.529%0.29422%0.219SC..Hα-helixtrans-61-41.4179.8-68.8175.2-165.100112.1Q68 K91 I92 L97 D98 D99Q68-E95 PolarHBondContact NE2-OE2 2.98Å; K91-E95 WeakPolarHBondContact CE-OE1 3.45Å; K91-E95 PolarHBondContact O-N 2.97Å; I92-E95 PolarHBondContact O-N 3.05Å; E95-L97 VanDerWaalsContact C-N 3.27Å; E95-L97 PolarHBondContact O-N 3.19Å; E95-D98 PolarHBondContact O-N 2.87Å; E95-D99 PolarHBondContact O-N 3.11Å
96A98.4Very high96.6Very high0 Ų041 Ų410%023%0.23CC..Hα-helixtrans-62.7-34.5174.300000112.6V61 Y64 I92 S94 L100 F114V61-A96 HydrophobicContact CG2-CB 3.96Å; Y64-A96 HydrophobicContact CD1-CB 4Å; Y64-A96 HydrophobicContact CD2-CB 3.74Å; Y64-A96 HydrophobicContact CE1-CB 4.14Å; Y64-A96 HydrophobicContact CE2-CB 3.9Å; Y64-A96 HydrophobicContact CG-CB 3.82Å; I92-A96 WeakPolarHBondContact O-CB 3.32Å; I92-A96 PolarHBondContact O-N 3.33Å; I92-A96 VanDerWaalsContact O-N 3.08Å; S94-A96 VanDerWaalsContact C-N 3.32Å; S94-A96 PolarHBondContact O-N 2.69Å; A96-L100 VanDerWaalsContact O-CB 3.31Å; A96-L100 WeakPolarHBondContact O-CB 3.37Å; A96-L100 PolarHBondContact O-N 3.15Å; A96-L100 VanDerWaalsContact O-N 3.13Å; A96-F114 HydrophobicContact CB-CE2 3.95Å
97L98.6Very high96.5Very high0 Ų047.4 Ų47.40%026%0.256CS..Hα-helixtrans-76.2-35177.3-174.159.6000111.8A93 S94 E95 L100 I101 F114 W126 I127 R130A93-L97 WeakPolarHBondContact O-CB 3.29Å; A93-L97 PolarHBondContact O-N 2.91Å; A93-L97 VanDerWaalsContact O-N 3.09Å; S94-L97 CarbonylContact O-C 3.55Å; S94-L97 WeakPolarHBondContact O-CA 3.44Å; S94-L97 WeakPolarHBondContact O-CB 3.2Å; S94-L97 PolarHBondContact O-N 3.13Å; E95-L97 VanDerWaalsContact C-N 3.27Å; E95-L97 PolarHBondContact O-N 3.19Å; L97-L100 HydrophobicContact CD1-CD2 4.24Å; L97-L100 WeakPolarHBondContact O-CB 3.18Å; L97-L100 PolarHBondContact O-N 2.99Å; L97-I101 HydrophobicContact CD1-CD1 4.48Å; L97-I101 HydrophobicContact CG-CD1 4.1Å; L97-I101 WeakPolarHBondContact O-CB 3.38Å; L97-I101 WeakPolarHBondContact O-CD1 3.5Å; L97-I101 VanDerWaalsContact O-CG1 3.26Å; L97-I101 WeakPolarHBondContact O-CG1 3.45Å; L97-I101 PolarHBondContact O-N 3.13Å; L97-F114 HydrophobicContact CB-CE2 3.91Å; L97-F114 HydrophobicContact CB-CZ 4.4Å; L97-F114 HydrophobicContact CD1-CD2 4.29Å; L97-F114 HydrophobicContact CD1-CE2 4.36Å; L97-W126 HydrophobicContact CB-CH2 4.14Å; L97-W126 HydrophobicContact CD2-CE3 4.45Å; L97-W126 HydrophobicContact CD2-CH2 3.51Å; L97-W126 HydrophobicContact CD2-CZ2 3.72Å; L97-W126 HydrophobicContact CD2-CZ3 3.92Å; L97-W126 HydrophobicContact CG-CH2 4.49Å; L97-I127 HydrophobicContact CD1-CG2 4.46Å; L97-I127 HydrophobicContact CD2-CG1 4.43Å; L97-R130 HydrophobicContact CD2-CB 3.73Å; L97-R130 HydrophobicContact CD2-CG 3.79Å
98D98.5Very high96.4Very high63 Ų6348.8 Ų48.834%0.33726%0.258SS..Hα-helixtrans-65-45.7176.1-61.7-20000110.6S94 E95 L100 I101 S102 R130S94-D98 PolarHBondContact O-N 3.4Å; E95-D98 PolarHBondContact O-N 2.87Å; D98-L100 VanDerWaalsContact C-N 3.32Å; D98-L100 PolarHBondContact O-N 3.21Å; D98-I101 PolarHBondContact O-N 2.83Å; D98-S102 WeakPolarHBondContact O-CB 3.07Å; D98-S102 PolarHBondContact O-N 3.4Å; D98-R130 IonicContact OD1-CZ 3.26Å; D98-R130 VanDerWaalsContact OD1-CZ 3.26Å; D98-R130 IonicContact OD1-NH1 3.62Å; D98-R130 PolarHBondContact OD1-NH1 2.92Å; D98-R130 IonicContact OD1-NH2 3.44Å; D98-R130 PolarHBondContact OD1-NH2 2.77Å
99D98.6Very high96.5Very high77 Ų7746.9 Ų46.941%0.41225%0.248SC..Hα-helixtrans-61.9-39.8173.3-84.2-2000112.3F59 Y64 E95 S102 W103F59-D99 HydrophobicContact CD1-CB 4.12Å; F59-D99 HydrophobicContact CE1-CB 3.93Å; Y64-D99 HydrophobicContact CE1-CB 4.41Å; Y64-D99 WeakPolarHBondContact CE1-OD2 3.3Å; Y64-D99 VanDerWaalsContact CZ-OD2 3.31Å; Y64-D99 VanDerWaalsContact OH-CB 3.28Å; Y64-D99 WeakPolarHBondContact OH-CB 3.44Å; Y64-D99 PolarHBondContact OH-OD2 2.9Å; E95-D99 PolarHBondContact O-N 3.11Å; D99-S102 PolarHBondContact O-N 3.02Å; D99-W103 WeakPolarHBondContact O-CB 3.34Å; D99-W103 PolarHBondContact O-N 3.23Å
100L98.5Very high96.5Very high0 Ų048.3 Ų48.30%026%0.255CS..Hα-helixtrans-60.3-48.7175.5179151.6000111.2V27 F59 A96 L97 D98 W103 L104 A112 F114V27-L100 HydrophobicContact CG1-CD1 4.12Å; V27-L100 HydrophobicContact CG1-CD2 4.13Å; V27-L100 HydrophobicContact CG2-CD2 3.87Å; F59-L100 HydrophobicContact CB-CB 4.39Å; F59-L100 HydrophobicContact CB-CD1 4.22Å; F59-L100 HydrophobicContact CD1-CB 3.94Å; F59-L100 HydrophobicContact CD2-CB 3.85Å; F59-L100 HydrophobicContact CD2-CD1 3.75Å; F59-L100 HydrophobicContact CD2-CG 3.83Å; F59-L100 HydrophobicContact CE1-CB 4.19Å; F59-L100 HydrophobicContact CE2-CB 4.09Å; F59-L100 HydrophobicContact CE2-CD1 4.44Å; F59-L100 HydrophobicContact CE2-CG 4.07Å; F59-L100 HydrophobicContact CG-CB 3.78Å; F59-L100 HydrophobicContact CG-CD1 4.1Å; F59-L100 HydrophobicContact CG-CG 4.23Å; F59-L100 HydrophobicContact CZ-CB 4.27Å; A96-L100 VanDerWaalsContact O-CB 3.31Å; A96-L100 WeakPolarHBondContact O-CB 3.37Å; A96-L100 PolarHBondContact O-N 3.15Å; A96-L100 VanDerWaalsContact O-N 3.13Å; L97-L100 HydrophobicContact CD1-CD2 4.24Å; L97-L100 WeakPolarHBondContact O-CB 3.18Å; L97-L100 PolarHBondContact O-N 2.99Å; D98-L100 VanDerWaalsContact C-N 3.32Å; D98-L100 PolarHBondContact O-N 3.21Å; L100-W103 PolarHBondContact O-N 2.92Å; L100-L104 HydrophobicContact CD2-CD1 3.83Å; L100-L104 HydrophobicContact CD2-CG 4.47Å; L100-L104 PolarHBondContact O-N 3.18Å; L100-A112 HydrophobicContact CD1-CB 3.56Å; L100-A112 HydrophobicContact CD2-CB 3.88Å; L100-A112 HydrophobicContact CG-CB 3.39Å; L100-F114 HydrophobicContact CD1-CB 3.85Å; L100-F114 HydrophobicContact CD1-CD2 4Å; L100-F114 HydrophobicContact CD1-CG 4.41Å
101I98.4Very high96.6Very high11 Ų1144.8 Ų44.86%0.05624%0.238CC..Hα-helixtrans-61.8-49.9179.1-73.4164.1000109.7L97 D98 W103 L104 T105 R130 H134 F136L97-I101 HydrophobicContact CD1-CD1 4.48Å; L97-I101 HydrophobicContact CG-CD1 4.1Å; L97-I101 WeakPolarHBondContact O-CB 3.38Å; L97-I101 WeakPolarHBondContact O-CD1 3.5Å; L97-I101 VanDerWaalsContact O-CG1 3.26Å; L97-I101 WeakPolarHBondContact O-CG1 3.45Å; L97-I101 PolarHBondContact O-N 3.13Å; D98-I101 PolarHBondContact O-N 2.83Å; I101-W103 VanDerWaalsContact C-N 3.26Å; I101-W103 PolarHBondContact O-N 2.84Å; I101-L104 PolarHBondContact O-N 2.87Å; I101-L104 VanDerWaalsContact O-N 3.1Å; I101-T105 HydrophobicContact CG2-CG2 4.31Å; I101-T105 WeakPolarHBondContact O-CG2 3.37Å; I101-T105 PolarHBondContact O-N 3.04Å; I101-T105 PolarHBondContact O-OG1 3.29Å; I101-T105 VanDerWaalsContact O-OG1 3.12Å; I101-R130 HydrophobicContact CD1-CB 4.36Å; I101-H134 WeakPolarHBondContact CG2-NE2 3.38Å; I101-F136 HydrophobicContact CB-CE2 4.38Å; I101-F136 HydrophobicContact CG1-CE2 4.12Å; I101-F136 HydrophobicContact CG2-CE2 4.27Å
102S98.1Very high96.7Very high77 Ų7739.3 Ų39.354%0.53821%0.214SC..Hα-helixtrans-52.2-46.6177.31780000111.5D98 D99 T105 S106D98-S102 WeakPolarHBondContact O-CB 3.07Å; D98-S102 PolarHBondContact O-N 3.4Å; D99-S102 PolarHBondContact O-N 3.02Å; S102-T105 WeakPolarHBondContact CA-OG1 3.32Å; S102-T105 PolarHBondContact O-N 2.89Å; S102-T105 PolarHBondContact O-OG1 3.26Å; S102-S106 PolarHBondContact O-N 2.88Å
103W98Very high96.8Very high46 Ų4639.2 Ų39.217%0.17421%0.214CC..Hα-helixtrans-68.5-39.3178.7-176.881.3000113.2N55 R57 F59 D99 L100 I101 T105 S106 G109 I111 A112N55-W103 VanDerWaalsContact O-CH2 3.28Å; N55-W103 WeakPolarHBondContact O-CH2 3.43Å; R57-W103 HydrophobicContact CB-CD2 4.05Å; R57-W103 HydrophobicContact CB-CE3 4.19Å; R57-W103 HydrophobicContact CB-CH2 3.71Å; R57-W103 HydrophobicContact CB-CZ2 3.57Å; R57-W103 HydrophobicContact CB-CZ3 4.05Å; F59-W103 HydrophobicContact CE1-CB 4.48Å; F59-W103 HydrophobicContact CE2-CD2 4.36Å; F59-W103 HydrophobicContact CE2-CE3 4.08Å; F59-W103 HydrophobicContact CZ-CB 3.67Å; F59-W103 HydrophobicContact CZ-CD2 4.17Å; F59-W103 HydrophobicContact CZ-CE3 4.29Å; F59-W103 AromaticContact CZ-CG 3.93Å; F59-W103 HydrophobicContact CZ-CG 3.93Å; D99-W103 WeakPolarHBondContact O-CB 3.34Å; D99-W103 PolarHBondContact O-N 3.23Å; L100-W103 PolarHBondContact O-N 2.92Å; I101-W103 VanDerWaalsContact C-N 3.26Å; I101-W103 PolarHBondContact O-N 2.84Å; W103-T105 VanDerWaalsContact C-N 3.35Å; W103-S106 VanDerWaalsContact O-CB 3.31Å; W103-S106 WeakPolarHBondContact O-CB 3.24Å; W103-S106 PolarHBondContact O-N 2.87Å; W103-S106 PolarHBondContact O-OG 2.84Å; W103-G109 VanDerWaalsContact CH2-CA 3.47Å; W103-I111 VanDerWaalsContact CH2-O 3.28Å; W103-I111 WeakPolarHBondContact CH2-O 3.09Å; W103-I111 WeakPolarHBondContact CZ3-O 3.42Å; W103-A112 HydrophobicContact CE3-CB 4.04Å; W103-A112 HydrophobicContact CZ3-CB 3.96Å
104L96.6Very high96.8Very high0 Ų039 Ų390%021%0.212CC..Hα-helixtrans-69.2-31.5175.8-81.1-178.1000113.4K25 V27 L100 I101 S106 K110 A112 F136K25-L104 HydrophobicContact CB-CD2 4.38Å; K25-L104 HydrophobicContact CD-CD2 4.46Å; K25-L104 PolarHBondContact NZ-O 3.05Å; V27-L104 HydrophobicContact CG2-CD1 3.54Å; L100-L104 HydrophobicContact CD2-CD1 3.83Å; L100-L104 HydrophobicContact CD2-CG 4.47Å; L100-L104 PolarHBondContact O-N 3.18Å; I101-L104 PolarHBondContact O-N 2.87Å; I101-L104 VanDerWaalsContact O-N 3.1Å; L104-S106 PolarHBondContact O-N 3.17Å; L104-K110 WeakPolarHBondContact CD2-O 3.47Å; L104-A112 HydrophobicContact CD1-CB 3.76Å; L104-A112 HydrophobicContact CD2-CB 4.01Å; L104-A112 HydrophobicContact CG-CB 3.72Å; L104-F136 HydrophobicContact CB-CE1 4.16Å; L104-F136 HydrophobicContact CB-CE2 3.78Å; L104-F136 HydrophobicContact CB-CZ 3.57Å; L104-F136 HydrophobicContact CD1-CD2 3.88Å; L104-F136 HydrophobicContact CD1-CE2 3.93Å; L104-F136 HydrophobicContact CD1-CG 4.31Å; L104-F136 HydrophobicContact CD1-CZ 4.39Å
105T95.8Very high96.8Very high84 Ų8437.8 Ų37.852%0.51520%0.203SC..Hα-helixtrans-71.1-13.5173.453.80000113.4I101 S102 W103 F136I101-T105 HydrophobicContact CG2-CG2 4.31Å; I101-T105 WeakPolarHBondContact O-CG2 3.37Å; I101-T105 PolarHBondContact O-N 3.04Å; I101-T105 PolarHBondContact O-OG1 3.29Å; I101-T105 VanDerWaalsContact O-OG1 3.12Å; S102-T105 WeakPolarHBondContact CA-OG1 3.32Å; S102-T105 PolarHBondContact O-N 2.89Å; S102-T105 PolarHBondContact O-OG1 3.26Å; W103-T105 VanDerWaalsContact C-N 3.35Å; T105-F136 HydrophobicContact CG2-CZ 3.81Å
106S94.5Very high96.8Very high36 Ų3635.5 Ų35.525%0.25220%0.195SC..SBendtrans-68.8163172.878.20000112.4K25 S102 W103 L104 V108 G109K25-S106 PolarHBondContact NZ-O 3.23Å; S102-S106 PolarHBondContact O-N 2.88Å; W103-S106 VanDerWaalsContact O-CB 3.31Å; W103-S106 WeakPolarHBondContact O-CB 3.24Å; W103-S106 PolarHBondContact O-N 2.87Å; W103-S106 PolarHBondContact O-OG 2.84Å; L104-S106 PolarHBondContact O-N 3.17Å; S106-V108 PolarHBondContact O-N 3.35Å; S106-V108 PolarHBondContact OG-N 3.48Å; S106-G109 PolarHBondContact OG-N 3.31Å
107E89.7Confident96.7Very high188 Ų18836.7 Ų36.788%0.87920%0.202SC*.SBendtrans-63.6-30.1175.8-63.1-174.8170.100112.6
108V90.7Very high96.6Very high89 Ų8936.9 Ų36.954%0.53920%0.203SC..SBendtrans-88.2-40.2-172.5-102.70000113.8N55 S106N55-V108 WeakPolarHBondContact CB-O 3.49Å; N55-V108 PolarHBondContact ND2-O 3.15Å; S106-V108 PolarHBondContact O-N 3.35Å; S106-V108 PolarHBondContact OG-N 3.48Å
109G94.7Very high96.5Very high0 Ų034.1 Ų34.10%019%0.189CC..  trans-69.3134.2-173.200000112.5K25 W103 S106K25-G109 VanDerWaalsContact CD-O 3.25Å; K25-G109 WeakPolarHBondContact CD-O 3.45Å; K25-G109 WeakPolarHBondContact CE-O 3.43Å; K25-G109 PolarHBondContact NZ-O 3.19Å; W103-G109 VanDerWaalsContact CH2-CA 3.47Å; S106-G109 PolarHBondContact OG-N 3.31Å
110K95Very high96.4Very high53 Ų5332 Ų3223%0.2318%0.178CC..  trans-119.4-44.6176.7-63.3-60.9-175.4-172.20112.7G22 K25 T26 I54 N55 L104G22-K110 PolarHBondContact O-NZ 3.04Å; K25-K110 WeakPolarHBondContact CA-O 3.39Å; K25-K110 HydrophobicContact CD-CD 4.33Å; T26-K110 PolarHBondContact N-O 3.28Å; T26-K110 VanDerWaalsContact N-O 3.07Å; I54-K110 HydrophobicContact CG2-CB 4.01Å; N55-K110 PolarHBondContact O-N 3.14Å; L104-K110 WeakPolarHBondContact CD2-O 3.47Å
111I97.3Very high96.3Very high0 Ų035.6 Ų35.60%019%0.192CC..EExtended strand (participates in β ladder)trans-128129.6179.7-57.7174.9000109.9W17 T26 V28 L49 I54 N55 T56 R57 W103 I220 I224W17-I111 HydrophobicContact CH2-CD1 4.18Å; T26-I111 CarbonylContact O-C 3.56Å; T26-I111 VanDerWaalsContact O-CA 3.31Å; T26-I111 WeakPolarHBondContact O-CA 3.36Å; V28-I111 HydrophobicContact CG2-CG2 3.75Å; L49-I111 HydrophobicContact CD1-CD1 3.79Å; L49-I111 HydrophobicContact CD1-CG2 4.21Å; L49-I111 HydrophobicContact CD2-CD1 4.02Å; L49-I111 HydrophobicContact CG-CD1 4.42Å; I54-I111 HydrophobicContact CG2-CD1 3.57Å; I54-I111 HydrophobicContact CG2-CG1 3.93Å; N55-I111 PolarHBondContact O-N 3.27Å; T56-I111 WeakPolarHBondContact CA-O 3.3Å; T56-I111 HydrophobicContact CG2-CB 4.02Å; T56-I111 HydrophobicContact CG2-CG2 4.03Å; T56-I111 WeakPolarHBondContact CG2-O 3.33Å; R57-I111 PolarHBondContact N-O 3.39Å; R57-I111 VanDerWaalsContact N-O 3.1Å; W103-I111 VanDerWaalsContact CH2-O 3.28Å; W103-I111 WeakPolarHBondContact CH2-O 3.09Å; W103-I111 WeakPolarHBondContact CZ3-O 3.42Å; I111-I220 HydrophobicContact CD1-CG2 3.51Å; I111-I220 HydrophobicContact CG1-CG2 4.14Å; I111-I224 HydrophobicContact CD1-CD1 4.4Å
112A98.4Very high96.3Very high0 Ų042.5 Ų42.50%022%0.224CC..EExtended strand (participates in β ladder)trans-118.4132.4172.700000111.6T26 V27 V28 R57 F59 L100 W103 L104T26-A112 PolarHBondContact O-N 3.37Å; V27-A112 CarbonylContact C-O 3.55Å; V27-A112 WeakPolarHBondContact CA-O 3.47Å; V28-A112 PolarHBondContact N-O 2.87Å; R57-A112 WeakPolarHBondContact O-CA 3.33Å; F59-A112 HydrophobicContact CD2-CB 3.97Å; F59-A112 HydrophobicContact CE2-CB 3.74Å; L100-A112 HydrophobicContact CD1-CB 3.56Å; L100-A112 HydrophobicContact CD2-CB 3.88Å; L100-A112 HydrophobicContact CG-CB 3.39Å; W103-A112 HydrophobicContact CE3-CB 4.04Å; W103-A112 HydrophobicContact CZ3-CB 3.96Å; L104-A112 HydrophobicContact CD1-CB 3.76Å; L104-A112 HydrophobicContact CD2-CB 4.01Å; L104-A112 HydrophobicContact CG-CB 3.72Å
113V98.7Very high96.3Very high0 Ų041.1 Ų41.10%021%0.207CC..EExtended strand (participates in β ladder)trans-100.4111179.8-172.80000109.1V28 L30 T56 R57 V58 F59 D115V28-V113 HydrophobicContact CB-CB 4.46Å; V28-V113 HydrophobicContact CB-CG1 4.31Å; V28-V113 HydrophobicContact CB-CG2 4.18Å; V28-V113 HydrophobicContact CG1-CG1 4.39Å; V28-V113 CarbonylContact O-C 3.56Å; V28-V113 WeakPolarHBondContact O-CA 3.27Å; L30-V113 HydrophobicContact CD1-CG1 4.07Å; L30-V113 HydrophobicContact CG-CG1 4.25Å; T56-V113 HydrophobicContact CG2-CG2 4.08Å; R57-V113 PolarHBondContact O-N 3.36Å; V58-V113 HydrophobicContact CB-CB 4.47Å; V58-V113 HydrophobicContact CG1-CB 4.42Å; V58-V113 HydrophobicContact CG2-CB 4.14Å; V58-V113 HydrophobicContact CG2-CG2 4.37Å; F59-V113 PolarHBondContact N-O 3.29Å; V113-D115 PolarHBondContact O-N 2.98Å
114F98.6Very high96.3Very high0 Ų039 Ų390%020%0.199CC..EExtended strand (participates in β ladder)trans-85.294.5173.7-166.4-106.8000109.8V27 V28 V29 L30 V61 A93 A96 L97 L100 A116 I127V27-F114 HydrophobicContact CG1-CB 4.46Å; V28-F114 PolarHBondContact O-N 3.11Å; V29-F114 HydrophobicContact CG1-CD1 4.38Å; V29-F114 HydrophobicContact CG2-CB 4.5Å; L30-F114 PolarHBondContact N-O 2.78Å; L30-F114 VanDerWaalsContact N-O 3.07Å; V61-F114 HydrophobicContact CG2-CD2 4.49Å; V61-F114 HydrophobicContact CG2-CE1 4.02Å; V61-F114 HydrophobicContact CG2-CE2 3.74Å; V61-F114 HydrophobicContact CG2-CZ 3.47Å; V61-F114 VanDerWaalsContact CG2-CZ 3.47Å; A93-F114 HydrophobicContact CB-CZ 4.42Å; A96-F114 HydrophobicContact CB-CE2 3.95Å; L97-F114 HydrophobicContact CB-CE2 3.91Å; L97-F114 HydrophobicContact CB-CZ 4.4Å; L97-F114 HydrophobicContact CD1-CD2 4.29Å; L97-F114 HydrophobicContact CD1-CE2 4.36Å; L100-F114 HydrophobicContact CD1-CB 3.85Å; L100-F114 HydrophobicContact CD1-CD2 4Å; L100-F114 HydrophobicContact CD1-CG 4.41Å; F114-A116 HydrophobicContact CD1-CB 4.48Å; F114-A116 HydrophobicContact CE1-CB 4.16Å; F114-A116 PolarHBondContact O-N 3.21Å; F114-I127 HydrophobicContact CD1-CD1 3.8Å; F114-I127 HydrophobicContact CE1-CD1 3.68Å; F114-I127 HydrophobicContact CE1-CG1 4.31Å
115D97.8Very high96.3Very high6 Ų641.5 Ų41.53%0.03221%0.212CC..EExtended strand (participates in β ladder)trans-91.796.6-175-176.95.1000111.2L30 S39 S42 V58 F59 N60 V61 V113L30-D115 HydrophobicContact CD1-CB 3.78Å; L30-D115 WeakPolarHBondContact CD1-OD1 3.12Å; S39-D115 PolarHBondContact OG-OD2 3.2Å; S42-D115 PolarHBondContact OG-OD2 2.75Å; V58-D115 HydrophobicContact CG1-CB 3.89Å; F59-D115 PolarHBondContact O-N 3.43Å; N60-D115 WeakPolarHBondContact CA-O 3.34Å; N60-D115 HydrophobicContact CB-CB 4.29Å; N60-D115 VanDerWaalsContact ND2-CG 3.29Å; N60-D115 PolarHBondContact ND2-OD2 2.78Å; V61-D115 PolarHBondContact N-O 2.95Å; V113-D115 PolarHBondContact O-N 2.98Å
116A96.8Very high96.5Very high16 Ų1639.8 Ų39.813%0.13220%0.196CC..SBendtrans-146.9-178.4174.100000110.8L30 K38 V61 F114L30-A116 VanDerWaalsContact O-O 3.12Å; K38-A116 WeakPolarHBondContact CD-O 3.25Å; K38-A116 WeakPolarHBondContact CE-O 3.44Å; V61-A116 HydrophobicContact CB-CB 3.92Å; V61-A116 HydrophobicContact CG2-CB 3.68Å; F114-A116 HydrophobicContact CD1-CB 4.48Å; F114-A116 HydrophobicContact CE1-CB 4.16Å; F114-A116 PolarHBondContact O-N 3.21Å
117T96.3Very high96.7Very high24 Ų2438 Ų3815%0.14718%0.184CC..  trans-79.2-30.8175.8580000112.9G32 P34 T119 Y184G32-T117 PolarHBondContact N-O 3.26Å; G32-T117 WeakPolarHBondContact O-CA 3.45Å; G32-T117 WeakPolarHBondContact O-CB 3.19Å; P34-T117 HydrophobicContact CG-CG2 4.06Å; T117-T119 PolarHBondContact O-N 3.44Å; T117-T119 VanDerWaalsContact O-N 3.1Å; T117-Y184 HydrophobicContact CG2-CD1 4.13Å; T117-Y184 HydrophobicContact CG2-CE1 3.87Å; T117-Y184 WeakPolarHBondContact OG1-CE1 3.45Å
118N97.6Very high97Very high4 Ų430.8 Ų30.82%0.02115%0.151CC..  trans41.948.3177.8-60.6-41.2000113.2V29 L30 V31 T120 R123 R124 I127V29-N118 HydrophobicContact CG1-CB 4.43Å; V29-N118 VanDerWaalsContact CG1-ND2 3.35Å; V29-N118 WeakPolarHBondContact CG1-ND2 3.38Å; L30-N118 WeakPolarHBondContact O-CB 3.43Å; L30-N118 PolarHBondContact O-ND2 3.43Å; V31-N118 HydrophobicContact CG2-CB 4.22Å; N118-T120 PolarHBondContact O-N 2.83Å; N118-R123 HydrophobicContact CB-CG 4.27Å; N118-R124 HydrophobicContact CB-CG 4.38Å; N118-R124 PolarHBondContact O-NH1 3.49Å; N118-I127 WeakPolarHBondContact OD1-CD1 3.32Å
119T95.4Very high97.4Very high6 Ų632.5 Ų32.54%0.03715%0.153CC..  trans-75.4-19.9-161.427.80000114.7L33 T117 Y184 R187 Y188 E189L33-T119 HydrophobicContact CD2-CG2 4.25Å; T117-T119 PolarHBondContact O-N 3.44Å; T117-T119 VanDerWaalsContact O-N 3.1Å; T119-Y184 HydrophobicContact CG2-CD1 3.99Å; T119-R187 PolarHBondContact OG1-NE 2.94Å; T119-Y188 HydrophobicContact CG2-CD2 3.86Å; T119-Y188 HydrophobicContact CG2-CG 4.41Å; T119-Y188 WeakPolarHBondContact O-CA 3.43Å; T119-E189 PolarHBondContact O-N 3.35Å
120T96.9Very high97.6Very high31 Ų3134.9 Ų34.919%0.1916%0.162CC..SBendtrans-107.3151177.6650000110.8N118 E122 R123 R124 R187 E189N118-T120 PolarHBondContact O-N 2.83Å; T120-E122 VanDerWaalsContact C-N 3.3Å; T120-R123 WeakPolarHBondContact O-CB 3.31Å; T120-R123 PolarHBondContact O-N 2.67Å; T120-R123 VanDerWaalsContact OG1-CB 3.27Å; T120-R123 WeakPolarHBondContact OG1-CB 3.4Å; T120-R123 PolarHBondContact OG1-N 3.43Å; T120-R123 VanDerWaalsContact OG1-N 3.16Å; T120-R124 PolarHBondContact O-N 3.4Å; T120-R124 PolarHBondContact O-NH1 3.43Å; T120-R187 HydrophobicContact CG2-CB 4.24Å; T120-R187 HydrophobicContact CG2-CG 4.37Å; T120-E189 WeakPolarHBondContact CA-OE2 3.29Å
121R97.8Very high97.7Very high77 Ų7732.4 Ų32.429%0.29115%0.151SC..Hα-helixtrans-63.6-38.1173.4-171.7176.6-176.8-97-2.5111.4R123 R124 L125 E189 L195 D196 W199R121-R123 VanDerWaalsContact C-N 3.34Å; R121-R123 PolarHBondContact O-N 2.89Å; R121-R124 PolarHBondContact O-N 3.01Å; R121-R124 VanDerWaalsContact O-N 3.1Å; R121-L125 HydrophobicContact CG-CD1 4.36Å; R121-L125 PolarHBondContact O-N 3.19Å; R121-E189 WeakPolarHBondContact CB-OE2 3.3Å; R121-E189 PolarHBondContact N-OE2 2.82Å; R121-L195 PolarHBondContact NH2-O 2.67Å; R121-D196 IonicContact CZ-OD1 3.6Å; R121-D196 IonicContact NE-OD1 3.8Å; R121-D196 PolarHBondContact NE-OD1 3.15Å; R121-D196 IonicContact NH2-OD1 3.59Å; R121-D196 PolarHBondContact NH2-OD1 3.25Å; R121-W199 HydrophobicContact CG-CH2 4.1Å
122E97.3Very high97.6Very high155 Ų15540 Ų4072%0.72418%0.184SC*.Hα-helixtrans-55.5-46.9173.1-174.1-168.7176.200111.8T120 R124 L125 W126T120-E122 VanDerWaalsContact C-N 3.3Å; E122-R124 VanDerWaalsContact C-N 3.28Å; E122-R124 PolarHBondContact O-N 2.79Å; E122-L125 PolarHBondContact O-N 3.49Å; E122-W126 PolarHBondContact O-N 3.02Å
123R97.5Very high97.5Very high49 Ų4946.8 Ų46.819%0.18522%0.218CC..Hα-helixtrans-58.6-41.3175.6174.268.570.2-170.2-8.7111.6Q90 N118 T120 R121 I127Q90-R123 VanDerWaalsContact NE2-NH1 3.18Å; N118-R123 HydrophobicContact CB-CG 4.27Å; T120-R123 WeakPolarHBondContact O-CB 3.31Å; T120-R123 PolarHBondContact O-N 2.67Å; T120-R123 VanDerWaalsContact OG1-CB 3.27Å; T120-R123 WeakPolarHBondContact OG1-CB 3.4Å; T120-R123 PolarHBondContact OG1-N 3.43Å; T120-R123 VanDerWaalsContact OG1-N 3.16Å; R121-R123 VanDerWaalsContact C-N 3.34Å; R121-R123 PolarHBondContact O-N 2.89Å; R123-I127 HydrophobicContact CG-CD1 4.3Å; R123-I127 WeakPolarHBondContact O-CG1 3.41Å; R123-I127 PolarHBondContact O-N 3.12Å; R123-I127 VanDerWaalsContact O-N 3.16Å
124R98.4Very high97.4Very high1 Ų150.4 Ų50.40%0.00423%0.234CC..Hα-helixtrans-69.5-41.1179.8-65.3-169.1-59.6-92.211.6112V31 N118 T120 R121 E122 I127 M128 F140 E189 S190 D196 W199V31-R124 HydrophobicContact CG2-CG 4.49Å; N118-R124 HydrophobicContact CB-CG 4.38Å; N118-R124 PolarHBondContact O-NH1 3.49Å; T120-R124 PolarHBondContact O-N 3.4Å; T120-R124 PolarHBondContact O-NH1 3.43Å; R121-R124 PolarHBondContact O-N 3.01Å; R121-R124 VanDerWaalsContact O-N 3.1Å; E122-R124 VanDerWaalsContact C-N 3.28Å; E122-R124 PolarHBondContact O-N 2.79Å; R124-I127 PolarHBondContact O-N 3.39Å; R124-M128 WeakPolarHBondContact O-CG 3.22Å; R124-M128 PolarHBondContact O-N 2.78Å; R124-F140 HydrophobicContact CB-CE1 3.71Å; R124-F140 HydrophobicContact CB-CZ 3.87Å; R124-F140 HydrophobicContact CG-CD1 4.33Å; R124-F140 HydrophobicContact CG-CE1 3.74Å; R124-F140 HydrophobicContact CG-CZ 4.39Å; R124-E189 PolarHBondContact NH1-O 3.01Å; R124-E189 PolarHBondContact NH2-O 3.42Å; R124-S190 PolarHBondContact NH2-O 3.1Å; R124-S190 VanDerWaalsContact NH2-O 3.16Å; R124-D196 IonicContact NH2-OD2 3.89Å; R124-D196 PolarHBondContact NH2-OD2 3.06Å; R124-W199 HydrophobicContact CB-CH2 4.44Å; R124-W199 HydrophobicContact CB-CZ3 4.11Å
125L98Very high97.1Very high53 Ų5357.5 Ų57.528%0.27727%0.272SS..Hα-helixtrans-58.5-48.5173.1-78164.9000111.3R121 E122 I127 M128 E129 W199R121-L125 HydrophobicContact CG-CD1 4.36Å; R121-L125 PolarHBondContact O-N 3.19Å; E122-L125 PolarHBondContact O-N 3.49Å; L125-I127 VanDerWaalsContact C-N 3.31Å; L125-I127 PolarHBondContact O-N 3.07Å; L125-M128 HydrophobicContact CD2-CE 3.66Å; L125-M128 HydrophobicContact CG-CE 4.45Å; L125-M128 PolarHBondContact O-N 3.27Å; L125-M128 VanDerWaalsContact O-N 3.11Å; L125-E129 WeakPolarHBondContact O-CG 3.38Å; L125-E129 PolarHBondContact O-N 2.97Å; L125-W199 HydrophobicContact CD2-CH2 4.21Å; L125-W199 HydrophobicContact CD2-CZ2 3.73Å; L125-W199 HydrophobicContact CG-CH2 4.17Å; L125-W199 HydrophobicContact CG-CZ2 4.21Å
126W98.3Very high97Very high47 Ų4758.2 Ų58.218%0.17828%0.275CS..Hα-helixtrans-55.4-44.6175.5166.573.4000112.2A93 L97 E122 E129 R130A93-W126 HydrophobicContact CB-CH2 4.24Å; A93-W126 HydrophobicContact CB-CZ3 4.34Å; L97-W126 HydrophobicContact CB-CH2 4.14Å; L97-W126 HydrophobicContact CD2-CE3 4.45Å; L97-W126 HydrophobicContact CD2-CH2 3.51Å; L97-W126 HydrophobicContact CD2-CZ2 3.72Å; L97-W126 HydrophobicContact CD2-CZ3 3.92Å; L97-W126 HydrophobicContact CG-CH2 4.49Å; E122-W126 PolarHBondContact O-N 3.02Å; W126-E129 PolarHBondContact O-N 3.31Å; W126-R130 WeakPolarHBondContact O-CG 3.41Å; W126-R130 PolarHBondContact O-N 2.84Å; W126-R130 VanDerWaalsContact O-N 3.1Å
127I98.7Very high97Very high0 Ų060.3 Ų60.30%028%0.282CS..Hα-helixtrans-62.1-46.4176.3-65163.1000110.9V29 L97 F114 N118 R123 R124 L125 E129 R130 C131V29-I127 HydrophobicContact CG1-CD1 3.82Å; V29-I127 HydrophobicContact CG2-CG2 3.7Å; L97-I127 HydrophobicContact CD1-CG2 4.46Å; L97-I127 HydrophobicContact CD2-CG1 4.43Å; F114-I127 HydrophobicContact CD1-CD1 3.8Å; F114-I127 HydrophobicContact CE1-CD1 3.68Å; F114-I127 HydrophobicContact CE1-CG1 4.31Å; N118-I127 WeakPolarHBondContact OD1-CD1 3.32Å; R123-I127 HydrophobicContact CG-CD1 4.3Å; R123-I127 WeakPolarHBondContact O-CG1 3.41Å; R123-I127 PolarHBondContact O-N 3.12Å; R123-I127 VanDerWaalsContact O-N 3.16Å; R124-I127 PolarHBondContact O-N 3.39Å; L125-I127 VanDerWaalsContact C-N 3.31Å; L125-I127 PolarHBondContact O-N 3.07Å; I127-E129 PolarHBondContact O-N 3.01Å; I127-R130 PolarHBondContact O-N 3.49Å; I127-C131 PolarHBondContact O-N 3.11Å; I127-C131 PolarHBondContact O-SG 3.43Å
128M97.8Very high97Very high36 Ų3660.3 Ų60.318%0.17728%0.282CS..Hα-helixtrans-61.9-42.2178.9-71-163.1-55.200112.7R124 L125 R130 C131 K132 V138 F140 W199R124-M128 WeakPolarHBondContact O-CG 3.22Å; R124-M128 PolarHBondContact O-N 2.78Å; L125-M128 HydrophobicContact CD2-CE 3.66Å; L125-M128 HydrophobicContact CG-CE 4.45Å; L125-M128 PolarHBondContact O-N 3.27Å; L125-M128 VanDerWaalsContact O-N 3.11Å; M128-R130 VanDerWaalsContact C-N 3.34Å; M128-R130 PolarHBondContact O-N 3.45Å; M128-C131 PolarHBondContact O-N 2.87Å; M128-K132 VanDerWaalsContact O-CB 3.28Å; M128-K132 WeakPolarHBondContact O-CB 3.31Å; M128-K132 PolarHBondContact O-N 2.83Å; M128-V138 HydrophobicContact CG-CG1 4.35Å; M128-F140 HydrophobicContact CG-CE2 3.88Å; M128-F140 HydrophobicContact CG-CZ 3.65Å; M128-F140 HydrophobicContact SD-CE2 3.82Å; M128-F140 HydrophobicContact SD-CZ 4.13Å; M128-W199 HydrophobicContact CE-CD2 3.85Å; M128-W199 HydrophobicContact CE-CE3 4.42Å; M128-W199 HydrophobicContact CE-CG 4.44Å; M128-W199 HydrophobicContact CE-CH2 3.82Å; M128-W199 HydrophobicContact CE-CZ2 3.15Å; M128-W199 HydrophobicContact CE-CZ3 4.4Å; M128-W199 HydrophobicContact SD-CD2 3.68Å; M128-W199 HydrophobicContact SD-CE3 4.25Å; M128-W199 HydrophobicContact SD-CG 3.87Å; M128-W199 HydrophobicContact SD-CZ2 4.14Å
129E97.9Very high97.1Very high124 Ų12460.1 Ų60.158%0.57928%0.281SS*.Hα-helixtrans-60-47177.9-74.5172.5178.200110.7L125 W126 I127 C131 K132 M133L125-E129 WeakPolarHBondContact O-CG 3.38Å; L125-E129 PolarHBondContact O-N 2.97Å; W126-E129 PolarHBondContact O-N 3.31Å; I127-E129 PolarHBondContact O-N 3.01Å; E129-C131 VanDerWaalsContact C-N 3.34Å; E129-C131 PolarHBondContact O-N 3.46Å; E129-K132 PolarHBondContact O-N 2.66Å; E129-M133 WeakPolarHBondContact O-CG 3.37Å; E129-M133 PolarHBondContact O-N 3.18Å
130R98Very high97.2Very high51 Ų5159.8 Ų59.819%0.19228%0.279CS..Hα-helixtrans-59.5-42.1174.9-66.8-66.5-51.8-81.7-3112L97 D98 I101 W126 I127 M128 H134L97-R130 HydrophobicContact CD2-CB 3.73Å; L97-R130 HydrophobicContact CD2-CG 3.79Å; D98-R130 IonicContact OD1-CZ 3.26Å; D98-R130 VanDerWaalsContact OD1-CZ 3.26Å; D98-R130 IonicContact OD1-NH1 3.62Å; D98-R130 PolarHBondContact OD1-NH1 2.92Å; D98-R130 IonicContact OD1-NH2 3.44Å; D98-R130 PolarHBondContact OD1-NH2 2.77Å; I101-R130 HydrophobicContact CD1-CB 4.36Å; W126-R130 WeakPolarHBondContact O-CG 3.41Å; W126-R130 PolarHBondContact O-N 2.84Å; W126-R130 VanDerWaalsContact O-N 3.1Å; I127-R130 PolarHBondContact O-N 3.49Å; M128-R130 VanDerWaalsContact C-N 3.34Å; M128-R130 PolarHBondContact O-N 3.45Å; R130-H134 PolarHBondContact O-CD2 3.38Å
131C97.6Very high97.3Very high0 Ų058.3 Ų58.30%027%0.27CS..Hα-helixtrans-69.8-38.5178.4-65.10000112.6I127 M128 E129 M133 H134 N135 F136 V138I127-C131 PolarHBondContact O-N 3.11Å; I127-C131 PolarHBondContact O-SG 3.43Å; M128-C131 PolarHBondContact O-N 2.87Å; E129-C131 VanDerWaalsContact C-N 3.34Å; E129-C131 PolarHBondContact O-N 3.46Å; C131-M133 VanDerWaalsContact C-N 3.29Å; C131-M133 PolarHBondContact O-N 3.38Å; C131-H134 CarbonylContact O-C 3.59Å; C131-H134 PolarHBondContact O-N 2.81Å; C131-N135 PolarHBondContact O-N 2.79Å; C131-F136 HydrophobicContact CB-CB 4.2Å; C131-F136 PolarHBondContact O-N 2.78Å; C131-F136 VanDerWaalsContact O-N 3.11Å; C131-V138 HydrophobicContact CB-CG2 3.4Å; C131-V138 VanDerWaalsContact CB-CG2 3.4Å
132K95.6Very high97.4Very high161 Ų16154.7 Ų54.770%0.726%0.256SS*.Hα-helixtrans-62.4-34.9179.3-176179.4177.9-177.40112M128 E129 H134 N135M128-K132 VanDerWaalsContact O-CB 3.28Å; M128-K132 WeakPolarHBondContact O-CB 3.31Å; M128-K132 PolarHBondContact O-N 2.83Å; E129-K132 PolarHBondContact O-N 2.66Å; K132-H134 PolarHBondContact O-N 2.95Å; K132-H134 VanDerWaalsContact O-N 3.11Å; K132-N135 PolarHBondContact O-N 2.7Å; K132-N135 VanDerWaalsContact O-N 3.07Å
133M96.4Very high97.3Very high142 Ų14247.7 Ų47.770%0.722%0.224SC*.THydrogen-bonded Turntrans-58.5-21.8174.8-68.1173.269.300113.6E129 C131E129-M133 WeakPolarHBondContact O-CG 3.37Å; E129-M133 PolarHBondContact O-N 3.18Å; C131-M133 VanDerWaalsContact C-N 3.29Å; C131-M133 PolarHBondContact O-N 3.38Å
134H95.6Very high97.2Very high76 Ų7646.1 Ų46.135%0.35222%0.22SC..THydrogen-bonded Turntrans-113.411.6179.5-59.6-78.7000112.9I101 R130 C131 K132 F136I101-H134 WeakPolarHBondContact CG2-NE2 3.38Å; R130-H134 PolarHBondContact O-CD2 3.38Å; C131-H134 CarbonylContact O-C 3.59Å; C131-H134 PolarHBondContact O-N 2.81Å; K132-H134 PolarHBondContact O-N 2.95Å; K132-H134 VanDerWaalsContact O-N 3.11Å; H134-F136 HydrophobicContact CB-CD1 3.97Å; H134-F136 HydrophobicContact CB-CD2 3.91Å; H134-F136 HydrophobicContact CB-CE1 3.7Å; H134-F136 HydrophobicContact CB-CE2 3.61Å; H134-F136 HydrophobicContact CB-CG 4.09Å; H134-F136 HydrophobicContact CB-CZ 3.52Å; H134-F136 VanDerWaalsContact O-CD1 3.24Å; H134-F136 WeakPolarHBondContact O-CD1 3.25Å; H134-F136 WeakPolarHBondContact O-CE1 3.43Å; H134-F136 PolarHBondContact O-N 2.89Å
135N94.4Very high96.9Very high149 Ų14946.7 Ų46.780%0.79722%0.223SC*.THydrogen-bonded Turntrans54.831.2-176.3-61.9-38.1000114.1C131 K132C131-N135 PolarHBondContact O-N 2.79Å; K132-N135 PolarHBondContact O-N 2.7Å; K132-N135 VanDerWaalsContact O-N 3.07Å
136F95.7Very high96.5Very high21 Ų2152.2 Ų52.29%0.09225%0.245CC..  trans-79.9139.2174.8-57.7-23.6000110.7K25 V27 I101 L104 T105 C131 H134K25-F136 HydrophobicContact CB-CD1 3.58Å; K25-F136 HydrophobicContact CB-CE1 3.89Å; K25-F136 HydrophobicContact CB-CG 4.34Å; K25-F136 HydrophobicContact CG-CD1 4.21Å; K25-F136 HydrophobicContact CG-CE1 4.08Å; V27-F136 HydrophobicContact CG2-CB 4.03Å; V27-F136 HydrophobicContact CG2-CD2 4Å; V27-F136 HydrophobicContact CG2-CG 4.4Å; I101-F136 HydrophobicContact CB-CE2 4.38Å; I101-F136 HydrophobicContact CG1-CE2 4.12Å; I101-F136 HydrophobicContact CG2-CE2 4.27Å; L104-F136 HydrophobicContact CB-CE1 4.16Å; L104-F136 HydrophobicContact CB-CE2 3.78Å; L104-F136 HydrophobicContact CB-CZ 3.57Å; L104-F136 HydrophobicContact CD1-CD2 3.88Å; L104-F136 HydrophobicContact CD1-CE2 3.93Å; L104-F136 HydrophobicContact CD1-CG 4.31Å; L104-F136 HydrophobicContact CD1-CZ 4.39Å; T105-F136 HydrophobicContact CG2-CZ 3.81Å; C131-F136 HydrophobicContact CB-CB 4.2Å; C131-F136 PolarHBondContact O-N 2.78Å; C131-F136 VanDerWaalsContact O-N 3.11Å; H134-F136 HydrophobicContact CB-CD1 3.97Å; H134-F136 HydrophobicContact CB-CD2 3.91Å; H134-F136 HydrophobicContact CB-CE1 3.7Å; H134-F136 HydrophobicContact CB-CE2 3.61Å; H134-F136 HydrophobicContact CB-CG 4.09Å; H134-F136 HydrophobicContact CB-CZ 3.52Å; H134-F136 VanDerWaalsContact O-CD1 3.24Å; H134-F136 WeakPolarHBondContact O-CD1 3.25Å; H134-F136 WeakPolarHBondContact O-CE1 3.43Å; H134-F136 PolarHBondContact O-N 2.89Å
137Q95.5Very high96Very high59 Ų5952.1 Ų52.128%0.27625%0.248SC..EExtended strand (participates in β ladder)trans-69.9145.2165.9-67.6-173.3-3.500109.7E24 K25 T26 V27 N221E24-Q137 PolarHBondContact OE1-NE2 2.89Å; K25-Q137 PolarHBondContact O-N 3.16Å; T26-Q137 CarbonylContact C-O 3.59Å; T26-Q137 WeakPolarHBondContact CA-O 3.07Å; T26-Q137 HydrophobicContact CG2-CB 4.41Å; V27-Q137 PolarHBondContact N-O 3.14Å; Q137-N221 PolarHBondContact OE1-ND2 2.87Å
138V97.6Very high95.4Very high24 Ų2460.2 Ų60.215%0.14528%0.284CS..EExtended strand (participates in β ladder)trans-123.6126.5176.8-177.60000109V27 V29 M128 C131 F140V27-V138 HydrophobicContact CB-CG2 4.47Å; V27-V138 WeakPolarHBondContact O-CA 3.42Å; V29-V138 HydrophobicContact CG2-CG1 3.82Å; M128-V138 HydrophobicContact CG-CG1 4.35Å; C131-V138 HydrophobicContact CB-CG2 3.4Å; C131-V138 VanDerWaalsContact CB-CG2 3.4Å; V138-F140 HydrophobicContact CG1-CD2 4.3Å; V138-F140 HydrophobicContact CG1-CE2 3.86Å; V138-F140 HydrophobicContact CG1-CZ 3.97Å
139I98.4Very high94.9Very high0 Ų063.8 Ų63.80%030%0.303CS..EExtended strand (participates in β ladder)trans-120126.8168.3-175.9174000109.5T26 V27 V28 V29 S200 I216 N221 I224 V225T26-I139 HydrophobicContact CG2-CG2 3.99Å; V27-I139 PolarHBondContact O-N 2.92Å; V28-I139 CarbonylContact C-O 3.6Å; V28-I139 WeakPolarHBondContact CA-O 3.08Å; V28-I139 HydrophobicContact CB-CG2 4.27Å; V28-I139 HydrophobicContact CG1-CG2 4.35Å; V28-I139 HydrophobicContact CG2-CG2 3.79Å; V29-I139 PolarHBondContact N-O 2.85Å; I139-S200 WeakPolarHBondContact CA-O 3.24Å; I139-I216 HydrophobicContact CD1-CD1 3.83Å; I139-I216 HydrophobicContact CG1-CD1 4.49Å; I139-N221 HydrophobicContact CD1-CB 4.21Å; I139-I224 HydrophobicContact CD1-CG2 4.42Å; I139-I224 HydrophobicContact CG2-CD1 4.25Å; I139-V225 HydrophobicContact CD1-CG2 3.98Å
140F98.7Very high94.2Very high0 Ų059.3 Ų59.30%028%0.283CS..EExtended strand (participates in β ladder)trans-89136.9173.4-64.1-86.4000111.2V29 V31 R124 M128 V138 I191 W199 S200 Y201 I202V29-F140 HydrophobicContact CB-CD1 3.55Å; V29-F140 HydrophobicContact CB-CE1 3.74Å; V29-F140 HydrophobicContact CB-CG 4.42Å; V29-F140 HydrophobicContact CG1-CD1 3.67Å; V29-F140 HydrophobicContact CG1-CE1 3.63Å; V29-F140 HydrophobicContact CG2-CD1 4.39Å; V29-F140 HydrophobicContact CG2-CE1 4.19Å; V29-F140 CarbonylContact O-C 3.48Å; V29-F140 WeakPolarHBondContact O-CA 3.49Å; V31-F140 HydrophobicContact CG2-CB 4.35Å; V31-F140 HydrophobicContact CG2-CD1 3.73Å; V31-F140 HydrophobicContact CG2-CG 4.49Å; R124-F140 HydrophobicContact CB-CE1 3.71Å; R124-F140 HydrophobicContact CB-CZ 3.87Å; R124-F140 HydrophobicContact CG-CD1 4.33Å; R124-F140 HydrophobicContact CG-CE1 3.74Å; R124-F140 HydrophobicContact CG-CZ 4.39Å; M128-F140 HydrophobicContact CG-CE2 3.88Å; M128-F140 HydrophobicContact CG-CZ 3.65Å; M128-F140 HydrophobicContact SD-CE2 3.82Å; M128-F140 HydrophobicContact SD-CZ 4.13Å; V138-F140 HydrophobicContact CG1-CD2 4.3Å; V138-F140 HydrophobicContact CG1-CE2 3.86Å; V138-F140 HydrophobicContact CG1-CZ 3.97Å; F140-I191 HydrophobicContact CB-CD1 3.5Å; F140-I191 HydrophobicContact CG-CD1 4.16Å; F140-W199 HydrophobicContact CD2-CB 4.43Å; F140-W199 HydrophobicContact CD2-CE3 4.03Å; F140-W199 HydrophobicContact CE2-CB 4.45Å; F140-W199 HydrophobicContact CE2-CD2 4.14Å; F140-W199 AromaticContact CE2-CE3 3.6Å; F140-W199 HydrophobicContact CE2-CE3 3.6Å; F140-W199 HydrophobicContact CE2-CZ3 4.22Å; F140-W199 HydrophobicContact CZ-CE3 4.22Å; F140-W199 HydrophobicContact CZ-CZ3 4.39Å; F140-S200 PolarHBondContact N-O 3.49Å; F140-Y201 CarbonylContact O-C 3.58Å; F140-Y201 WeakPolarHBondContact O-CA 3.33Å; F140-Y201 WeakPolarHBondContact O-CB 3.02Å; F140-I202 PolarHBondContact O-N 2.84Å
141V98.6Very high93.6Very high0 Ų057.7 Ų57.70%028%0.278CS..EExtended strand (participates in β ladder)trans-120.499.4174.7176.60000107.8V28 V29 L30 V31 I41 I202 I204 L228V28-V141 HydrophobicContact CG1-CB 4.38Å; V28-V141 HydrophobicContact CG1-CG2 3.6Å; V29-V141 PolarHBondContact O-N 3.08Å; L30-V141 CarbonylContact C-O 3.56Å; L30-V141 WeakPolarHBondContact CA-O 3.12Å; L30-V141 HydrophobicContact CD2-CB 3.77Å; L30-V141 HydrophobicContact CD2-CG1 3.77Å; V31-V141 PolarHBondContact N-O 2.55Å; I41-V141 HydrophobicContact CG2-CG1 3.99Å; V141-I202 WeakPolarHBondContact CA-O 3.27Å; V141-I202 HydrophobicContact CB-CG2 4.19Å; V141-I202 HydrophobicContact CG1-CG2 4.15Å; V141-I202 HydrophobicContact CG2-CG2 3.75Å; V141-I204 HydrophobicContact CG1-CD1 4.11Å; V141-L228 HydrophobicContact CB-CD1 4.43Å; V141-L228 HydrophobicContact CG1-CD1 3.79Å; V141-L228 HydrophobicContact CG2-CD1 3.69Å
142E98.5Very high93.1Very high0 Ų062.7 Ų62.70%030%0.301CS..EExtended strand (participates in β ladder)trans-93.8122.3-178.6-169.8176.2-159.800111V31 I144 Y188 S190 I191 I202 K203 I204V31-E142 HydrophobicContact CB-CB 3.99Å; V31-E142 HydrophobicContact CB-CG 3.94Å; V31-E142 HydrophobicContact CG1-CB 4.43Å; V31-E142 HydrophobicContact CG1-CG 3.91Å; V31-E142 WeakPolarHBondContact O-CA 3.28Å; E142-I144 HydrophobicContact CG-CD1 4.08Å; E142-I144 HydrophobicContact CG-CG1 3.77Å; E142-Y188 PolarHBondContact OE1-OH 3.28Å; E142-S190 VanDerWaalsContact CD-OG 3.25Å; E142-S190 WeakPolarHBondContact OE1-CA 3.24Å; E142-S190 WeakPolarHBondContact OE1-CB 3.44Å; E142-S190 PolarHBondContact OE1-OG 2.72Å; E142-S190 PolarHBondContact OE2-OG 2.85Å; E142-I191 HydrophobicContact CB-CD1 3.86Å; E142-I191 HydrophobicContact CB-CG1 4.42Å; E142-I191 PolarHBondContact OE1-N 2.8Å; E142-I191 WeakPolarHBondContact OE2-CB 3.4Å; E142-I191 WeakPolarHBondContact OE2-CG1 3.35Å; E142-I191 PolarHBondContact OE2-N 3.12Å; E142-I202 PolarHBondContact N-O 3.38Å; E142-K203 HydrophobicContact CB-CG 4.19Å; E142-K203 CarbonylContact O-C 3.59Å; E142-K203 WeakPolarHBondContact O-CA 2.99Å; E142-K203 VanDerWaalsContact OE2-CE 3.3Å; E142-K203 WeakPolarHBondContact OE2-CE 3.28Å; E142-K203 WeakPolarHBondContact OE2-CG 3.24Å; E142-I204 PolarHBondContact O-N 3.21Å
143S96.3Very high92.5Very high8 Ų860.1 Ų60.16%0.05629%0.292CS..EExtended strand (participates in β ladder)trans-102.9112.7175.4-171.50000110.7V31 R36V31-S143 PolarHBondContact O-N 2.66Å; R36-S143 WeakPolarHBondContact O-CB 3.25Å; R36-S143 PolarHBondContact O-OG 3.27Å
144I95.6Very high91.8Very high17 Ų1754.9 Ų54.99%0.08727%0.267CS..EExtended strand (participates in β ladder)trans-114.8121.2-175.1-54.5173.7000107.6E142 K203 I204 F205 D206E142-I144 HydrophobicContact CG-CD1 4.08Å; E142-I144 HydrophobicContact CG-CG1 3.77Å; I144-K203 HydrophobicContact CD1-CB 4.23Å; I144-K203 HydrophobicContact CD1-CD 4.17Å; I144-K203 HydrophobicContact CD1-CG 4.33Å; I144-I204 PolarHBondContact N-O 3.11Å; I144-F205 HydrophobicContact CB-CD1 3.97Å; I144-F205 HydrophobicContact CB-CE1 4.38Å; I144-F205 HydrophobicContact CD1-CD1 3.9Å; I144-F205 HydrophobicContact CD1-CE1 3.42Å; I144-F205 VanDerWaalsContact CD1-CE1 3.42Å; I144-F205 HydrophobicContact CD1-CZ 3.92Å; I144-F205 HydrophobicContact CG1-CD1 4.5Å; I144-F205 HydrophobicContact CG1-CE1 4.45Å; I144-F205 HydrophobicContact CG2-CD1 4Å; I144-F205 HydrophobicContact CG2-CE1 4.36Å; I144-F205 CarbonylContact O-C 3.58Å; I144-F205 WeakPolarHBondContact O-CA 3.11Å; I144-D206 PolarHBondContact O-N 2.99Å
145C92.4Very high91.4Very high12 Ų1251.3 Ų51.38%0.08125%0.25CS..  trans-138.7122.7174.3-178.50000108.2R36 D206R36-C145 HydrophobicContact CB-CB 4.29Å; R36-C145 HydrophobicContact CG-CB 3.79Å; C145-D206 WeakPolarHBondContact CA-OD1 3.42Å
146K88.8Confident90.9Very high170 Ų17047.9 Ų47.974%0.73923%0.231SC*.  trans-102-11.8179.9-66-178.1178.1-178.70112.9K148 D206K146-K148 PolarHBondContact O-N 3.17Å; K146-D206 PolarHBondContact N-OD1 3.49Å
147D87.6Confident90.1Very high45 Ų4551.7 Ų51.724%0.24125%0.249CC..  trans-69.7111.5178.4-171.1-31.7000111.3N149 L150 I151D147-N149 VanDerWaalsContact C-N 3.33Å; D147-N149 PolarHBondContact O-N 3.28Å; D147-N149 WeakPolarHBondContact OD1-CB 3.35Å; D147-N149 PolarHBondContact OD1-N 3.26Å; D147-L150 HydrophobicContact CB-CB 4.06Å; D147-L150 HydrophobicContact CB-CD1 3.84Å; D147-L150 HydrophobicContact CB-CG 4.07Å; D147-L150 PolarHBondContact O-N 2.88Å; D147-L150 PolarHBondContact OD1-N 3.19Å; D147-I151 WeakPolarHBondContact O-CD1 3.17Å; D147-I151 VanDerWaalsContact O-CG1 3.26Å; D147-I151 WeakPolarHBondContact O-CG1 3.15Å; D147-I151 PolarHBondContact O-N 2.73Å
148K87.2Confident89.4Confident170 Ų17050.1 Ų50.174%0.73924%0.244SC*.Hα-helixtrans-64.6-34.7-178.6-68.6-173.2177.6-176.20112.8K146 I151 Q152K146-K148 PolarHBondContact O-N 3.17Å; K148-I151 PolarHBondContact O-N 2.87Å; K148-Q152 WeakPolarHBondContact O-CB 3.37Å; K148-Q152 PolarHBondContact O-N 3.43Å
149N87Confident88.7Confident110 Ų11050.8 Ų50.859%0.58825%0.245SC*.Hα-helixtrans-67.6-47.2-179.5-64.9-21.5000109.8D147 I151 Q152 E153D147-N149 VanDerWaalsContact C-N 3.33Å; D147-N149 PolarHBondContact O-N 3.28Å; D147-N149 WeakPolarHBondContact OD1-CB 3.35Å; D147-N149 PolarHBondContact OD1-N 3.26Å; N149-I151 VanDerWaalsContact C-N 3.31Å; N149-I151 PolarHBondContact O-N 3.39Å; N149-Q152 PolarHBondContact O-N 2.85Å; N149-E153 WeakPolarHBondContact O-CG 3.4Å; N149-E153 PolarHBondContact O-N 3.3Å
150L83Confident87.9Confident30 Ų3051.2 Ų51.216%0.15725%0.248CC..Hα-helixtrans-63-36.1176.2-69.5178000112.6D147 N154 Q207D147-L150 HydrophobicContact CB-CB 4.06Å; D147-L150 HydrophobicContact CB-CD1 3.84Å; D147-L150 HydrophobicContact CB-CG 4.07Å; D147-L150 PolarHBondContact O-N 2.88Å; D147-L150 PolarHBondContact OD1-N 3.19Å; L150-N154 WeakPolarHBondContact O-CB 3.49Å; L150-N154 VanDerWaalsContact O-CG 3.27Å; L150-N154 PolarHBondContact O-N 3.4Å; L150-N154 VanDerWaalsContact O-N 3.09Å; L150-N154 PolarHBondContact O-ND2 3.32Å; L150-Q207 HydrophobicContact CD1-CG 4.38Å
151I85.3Confident87.1Confident18 Ų1855.9 Ų55.99%0.09227%0.272CS..Hα-helixtrans-64.3-49174.1-68.6160.6000109.8D147 K148 N149 N154 V155 I181D147-I151 WeakPolarHBondContact O-CD1 3.17Å; D147-I151 VanDerWaalsContact O-CG1 3.26Å; D147-I151 WeakPolarHBondContact O-CG1 3.15Å; D147-I151 PolarHBondContact O-N 2.73Å; K148-I151 PolarHBondContact O-N 2.87Å; N149-I151 VanDerWaalsContact C-N 3.31Å; N149-I151 PolarHBondContact O-N 3.39Å; I151-N154 PolarHBondContact O-N 2.97Å; I151-V155 HydrophobicContact CG2-CG2 4.43Å; I151-V155 VanDerWaalsContact O-CG2 3.31Å; I151-V155 WeakPolarHBondContact O-CG2 3.3Å; I151-V155 PolarHBondContact O-N 3.39Å; I151-I181 HydrophobicContact CG2-CD1 4.33Å
152Q86.4Confident86.3Confident104 Ų10456.4 Ų56.449%0.48628%0.276SS..Hα-helixtrans-62.2-45.2-178.4-176.5173.3-17.600112.1K148 N149 N154 V155 L156K148-Q152 WeakPolarHBondContact O-CB 3.37Å; K148-Q152 PolarHBondContact O-N 3.43Å; N149-Q152 PolarHBondContact O-N 2.85Å; Q152-N154 PolarHBondContact O-N 3.34Å; Q152-V155 PolarHBondContact O-N 3.25Å; Q152-V155 VanDerWaalsContact O-N 3.17Å; Q152-L156 HydrophobicContact CG-CD1 4.14Å; Q152-L156 WeakPolarHBondContact O-CG 3.17Å; Q152-L156 PolarHBondContact O-N 3.11Å
153E83.6Confident85.6Confident108 Ų10860.7 Ų60.751%0.50530%0.304SS..Hα-helixtrans-57.3-48.2173.8-74.6176.2-176.800111.3N149 V155 L156 E157N149-E153 WeakPolarHBondContact O-CG 3.4Å; N149-E153 PolarHBondContact O-N 3.3Å; E153-V155 VanDerWaalsContact C-N 3.28Å; E153-V155 PolarHBondContact O-N 3.02Å; E153-L156 PolarHBondContact O-N 3.48Å; E153-E157 WeakPolarHBondContact O-CB 3.45Å; E153-E157 WeakPolarHBondContact O-CG 3.48Å; E153-E157 PolarHBondContact O-N 2.86Å
154N82.6Confident85Confident32 Ų3261.4 Ų61.417%0.17131%0.307CS..Hα-helixtrans-61.1-35.6177-80.3-44000112.7A35 L150 I151 Q152 V158 Q207A35-N154 HydrophobicContact CB-CB 4.35Å; A35-N154 WeakPolarHBondContact O-CB 3.42Å; A35-N154 PolarHBondContact O-ND2 3.32Å; L150-N154 WeakPolarHBondContact O-CB 3.49Å; L150-N154 VanDerWaalsContact O-CG 3.27Å; L150-N154 PolarHBondContact O-N 3.4Å; L150-N154 VanDerWaalsContact O-N 3.09Å; L150-N154 PolarHBondContact O-ND2 3.32Å; I151-N154 PolarHBondContact O-N 2.97Å; Q152-N154 PolarHBondContact O-N 3.34Å; N154-V158 VanDerWaalsContact O-CB 3.28Å; N154-V158 WeakPolarHBondContact O-CB 3.42Å; N154-V158 PolarHBondContact O-N 3.08Å; N154-V158 VanDerWaalsContact O-N 3.11Å; N154-Q207 PolarHBondContact ND2-NE2 2.75Å
155V85.5Confident84.6Confident0 Ų060.8 Ų60.80%030%0.304CS..Iπ-helixtrans-66.5-48.4176175.70000110.4A35 I151 Q152 E153 K159 V160 L174 F177 I181A35-V155 HydrophobicContact CB-CG2 3.58Å; I151-V155 HydrophobicContact CG2-CG2 4.43Å; I151-V155 VanDerWaalsContact O-CG2 3.31Å; I151-V155 WeakPolarHBondContact O-CG2 3.3Å; I151-V155 PolarHBondContact O-N 3.39Å; Q152-V155 PolarHBondContact O-N 3.25Å; Q152-V155 VanDerWaalsContact O-N 3.17Å; E153-V155 VanDerWaalsContact C-N 3.28Å; E153-V155 PolarHBondContact O-N 3.02Å; V155-K159 HydrophobicContact CG1-CB 4.32Å; V155-K159 WeakPolarHBondContact O-CA 3.44Å; V155-K159 WeakPolarHBondContact O-CB 3.32Å; V155-K159 PolarHBondContact O-N 2.67Å; V155-V160 HydrophobicContact CG1-CG1 4.15Å; V155-V160 PolarHBondContact O-N 3.28Å; V155-L174 HydrophobicContact CB-CD1 4.26Å; V155-L174 HydrophobicContact CG1-CD1 3.49Å; V155-L174 VanDerWaalsContact CG1-CD1 3.49Å; V155-F177 HydrophobicContact CB-CD1 4.31Å; V155-F177 HydrophobicContact CG1-CB 4.17Å; V155-F177 HydrophobicContact CG1-CD1 3.67Å; V155-F177 HydrophobicContact CG1-CE1 4.44Å; V155-F177 HydrophobicContact CG1-CG 4.11Å; V155-F177 HydrophobicContact CG2-CD1 3.61Å; V155-F177 HydrophobicContact CG2-CE1 3.75Å; V155-I181 HydrophobicContact CG2-CD1 4.15Å
156L84.2Confident84.2Confident77 Ų7769.6 Ų69.640%0.40334%0.341SS..Iπ-helixtrans-68.1-38.1-178.1-73.1173.2000113.8Q152 E153 V160 N161 L174Q152-L156 HydrophobicContact CG-CD1 4.14Å; Q152-L156 WeakPolarHBondContact O-CG 3.17Å; Q152-L156 PolarHBondContact O-N 3.11Å; E153-L156 PolarHBondContact O-N 3.48Å; L156-V160 WeakPolarHBondContact O-CG2 3.49Å; L156-N161 PolarHBondContact O-ND2 2.85Å; L156-L174 HydrophobicContact CD2-CD1 4.2Å; L156-L174 HydrophobicContact CD2-CD2 4.06Å; L156-L174 HydrophobicContact CG-CD1 4.47Å
157E79.4Confident84Confident101 Ų10166.6 Ų66.647%0.47234%0.341SS..Iπ-helixtrans-80.1-38.8-179-68.1-161.6162.200111.8E153 N161 K235E153-E157 WeakPolarHBondContact O-CB 3.45Å; E153-E157 WeakPolarHBondContact O-CG 3.48Å; E153-E157 PolarHBondContact O-N 2.86Å; E157-N161 PolarHBondContact O-ND2 2.86Å; E157-K235 IonicContact OE1-NZ 3.44Å; E157-K235 PolarHBondContact OE1-NZ 2.97Å; E157-K235 WeakPolarHBondContact OE2-CE 3.3Å; E157-K235 IonicContact OE2-NZ 3.75Å; E157-K235 PolarHBondContact OE2-NZ 3.36Å
158V80.2Confident83.8Confident26 Ų2666.2 Ų66.216%0.15834%0.339CS..Iπ-helixtrans-114-39.7-164.9-177.70000113.2N154 S162 A414 Y415N154-V158 VanDerWaalsContact O-CB 3.28Å; N154-V158 WeakPolarHBondContact O-CB 3.42Å; N154-V158 PolarHBondContact O-N 3.08Å; N154-V158 VanDerWaalsContact O-N 3.11Å; V158-S162 PolarHBondContact O-N 3.16Å; V158-A414 HydrophobicContact CG2-CB 4.28Å; V158-Y415 HydrophobicContact CG1-CE2 3.73Å; V158-Y415 WeakPolarHBondContact CG1-OH 3.4Å
159K83.1Confident84Confident38 Ų3862.7 Ų62.717%0.16533%0.328CS..Iπ-helixtrans-92.1-40.9-167.4-59.5-59179.9-1680113.3A35 V155 N161 S162 Y165 F177A35-K159 HydrophobicContact CB-CG 4.1Å; V155-K159 HydrophobicContact CG1-CB 4.32Å; V155-K159 WeakPolarHBondContact O-CA 3.44Å; V155-K159 WeakPolarHBondContact O-CB 3.32Å; V155-K159 PolarHBondContact O-N 2.67Å; K159-N161 PolarHBondContact O-N 2.68Å; K159-S162 WeakPolarHBondContact O-CB 3.33Å; K159-S162 PolarHBondContact O-N 3.12Å; K159-S162 PolarHBondContact O-OG 3.43Å; K159-Y165 WeakPolarHBondContact O-CD2 3.23Å; K159-F177 HydrophobicContact CB-CD1 4.26Å; K159-F177 HydrophobicContact CB-CD2 4.01Å; K159-F177 HydrophobicContact CB-CE1 4.01Å; K159-F177 HydrophobicContact CB-CE2 3.73Å; K159-F177 HydrophobicContact CB-CG 4.26Å; K159-F177 HydrophobicContact CB-CZ 3.73Å; K159-F177 HydrophobicContact CD-CE2 4.12Å; K159-F177 HydrophobicContact CD-CZ 3.84Å; K159-F177 HydrophobicContact CG-CE1 3.85Å; K159-F177 HydrophobicContact CG-CE2 3.94Å; K159-F177 HydrophobicContact CG-CZ 3.49Å; K159-F177 VanDerWaalsContact CG-CZ 3.49Å
160V82Confident84Confident10 Ų1063.8 Ų63.86%0.06133%0.327CS..THydrogen-bonded Turntrans-66.5-24.5173.2-57.70000112.3V155 L156 S162 A173 L174V155-V160 HydrophobicContact CG1-CG1 4.15Å; V155-V160 PolarHBondContact O-N 3.28Å; L156-V160 WeakPolarHBondContact O-CG2 3.49Å; V160-S162 VanDerWaalsContact C-N 3.33Å; V160-A173 HydrophobicContact CB-CB 4.2Å; V160-A173 HydrophobicContact CG1-CB 4.11Å; V160-L174 HydrophobicContact CG1-CB 4.25Å
161N81.2Confident84.3Confident97 Ų9768.6 Ų68.652%0.51935%0.349SS..THydrogen-bonded Turntrans-91.55.8174-56.8-52.9000112.8L156 E157 K159L156-N161 PolarHBondContact O-ND2 2.85Å; E157-N161 PolarHBondContact O-ND2 2.86Å; K159-N161 PolarHBondContact O-N 2.68Å
162S83.6Confident84.5Confident12 Ų1273 Ų738%0.08437%0.37CS..SBendtrans-77.7161.2-179.276.80000111.4V158 K159 V160 D164 Y165V158-S162 PolarHBondContact O-N 3.16Å; K159-S162 WeakPolarHBondContact O-CB 3.33Å; K159-S162 PolarHBondContact O-N 3.12Å; K159-S162 PolarHBondContact O-OG 3.43Å; V160-S162 VanDerWaalsContact C-N 3.33Å; S162-D164 PolarHBondContact O-N 2.67Å; S162-Y165 PolarHBondContact O-N 3.5Å
163P83.2Confident84.7Confident89 Ų8968.1 Ų68.158%0.57835%0.346SS*.G310 helixtrans-59-19.1178.2-23.433.5000114Y165P163-Y165 PolarHBondContact O-N 3.33Å
164D84.4Confident85Confident23 Ų2364.6 Ų64.612%0.12333%0.331CS..G310 helixtrans-62.6-26.6175.6-63.913.8000111.8R65 R66 Y72 S162 R180R65-D164 IonicContact CZ-OD1 2.85Å; R65-D164 IonicContact CZ-OD2 2.83Å; R65-D164 IonicContact NH1-OD2 2.86Å; R65-D164 PolarHBondContact NH1-OD2 3.26Å; R65-D164 VanDerWaalsContact NH1-OD2 3.13Å; R65-D164 IonicContact NH2-OD1 3.27Å; R65-D164 PolarHBondContact NH2-OD1 2.96Å; R65-D164 IonicContact NH2-OD2 2.65Å; R65-D164 PolarHBondContact NH2-OD2 3.15Å; R66-D164 WeakPolarHBondContact CD-OD1 3.34Å; R66-D164 IonicContact CZ-OD1 2.66Å; R66-D164 IonicContact NE-OD1 2.73Å; R66-D164 IonicContact NH1-OD1 3.52Å; R66-D164 PolarHBondContact NH1-OD1 2.77Å; Y72-D164 VanDerWaalsContact CD2-O 3.23Å; Y72-D164 WeakPolarHBondContact CD2-O 3.48Å; S162-D164 PolarHBondContact O-N 2.67Å; D164-R180 IonicContact OD2-CZ 3.67Å; D164-R180 IonicContact OD2-NH1 3.82Å; D164-R180 PolarHBondContact OD2-NH1 3.39Å; D164-R180 IonicContact OD2-NH2 3.22Å
165Y86.7Confident85.5Confident5 Ų569.3 Ų69.32%0.0235%0.35CS..G310 helixtrans-124.621.1-172.8-61.9-83000113.3Y72 K159 S162 P163 S167 I168 A173 D176 F177Y72-Y165 AromaticContact CE2-CD1 3.69Å; Y72-Y165 HydrophobicContact CE2-CD1 3.69Å; Y72-Y165 AromaticContact CE2-CE1 3.67Å; Y72-Y165 HydrophobicContact CE2-CE1 3.67Å; K159-Y165 WeakPolarHBondContact O-CD2 3.23Å; S162-Y165 PolarHBondContact O-N 3.5Å; P163-Y165 PolarHBondContact O-N 3.33Å; Y165-S167 PolarHBondContact O-N 3.01Å; Y165-I168 HydrophobicContact CD1-CB 4.31Å; Y165-I168 HydrophobicContact CD1-CG1 4.37Å; Y165-I168 HydrophobicContact CD1-CG2 4.47Å; Y165-I168 PolarHBondContact O-N 3.23Å; Y165-I168 VanDerWaalsContact O-N 3.08Å; Y165-A173 HydrophobicContact CD1-CB 3.4Å; Y165-A173 HydrophobicContact CE1-CB 4.12Å; Y165-A173 HydrophobicContact CG-CB 3.68Å; Y165-D176 HydrophobicContact CE1-CB 3.96Å; Y165-D176 VanDerWaalsContact CE1-OD2 3.29Å; Y165-D176 WeakPolarHBondContact CE1-OD2 3.17Å; Y165-D176 PolarHBondContact OH-OD2 3.42Å; Y165-F177 HydrophobicContact CE2-CB 4.45Å; Y165-F177 AromaticContact CE2-CD2 3.63Å; Y165-F177 HydrophobicContact CE2-CD2 3.63Å; Y165-F177 HydrophobicContact CE2-CE2 4.41Å; Y165-F177 HydrophobicContact CE2-CG 4.5Å; Y165-F177 AromaticContact CZ-CD2 3.91Å; Y165-F177 WeakPolarHBondContact OH-CD2 3.34Å
166K82.9Confident85.8Confident196 Ų19669.9 Ų69.985%0.85235%0.353SS*.THydrogen-bonded Turntrans-53.3-30.3-171.4-171.8-179.2177.1-173.40114.3
167S84.3Confident86.2Confident108 Ų10866.4 Ų66.476%0.75534%0.335SS*.THydrogen-bonded Turntrans-116.913.1-176.9580000114Y165Y165-S167 PolarHBondContact O-N 3.01Å
168I85.3Confident86.8Confident37 Ų3765.1 Ų65.119%0.1933%0.331CS..SBendtrans-106.9143.9-177.2-53.1-60.4000108.9Y72 Y165 E172 A173Y72-I168 HydrophobicContact CD1-CD1 3.97Å; Y72-I168 HydrophobicContact CD1-CG1 4.5Å; Y72-I168 HydrophobicContact CD2-CD1 4.05Å; Y72-I168 HydrophobicContact CD2-CG1 3.73Å; Y72-I168 HydrophobicContact CE1-CD1 4.1Å; Y72-I168 HydrophobicContact CE1-CG1 4.44Å; Y72-I168 HydrophobicContact CE2-CD1 4.2Å; Y72-I168 HydrophobicContact CE2-CG1 3.69Å; Y72-I168 HydrophobicContact CG-CD1 3.93Å; Y72-I168 HydrophobicContact CG-CG1 4.14Å; Y165-I168 HydrophobicContact CD1-CB 4.31Å; Y165-I168 HydrophobicContact CD1-CG1 4.37Å; Y165-I168 HydrophobicContact CD1-CG2 4.47Å; Y165-I168 PolarHBondContact O-N 3.23Å; Y165-I168 VanDerWaalsContact O-N 3.08Å; I168-E172 HydrophobicContact CG2-CB 3.92Å; I168-E172 HydrophobicContact CG2-CG 3.88Å; I168-A173 HydrophobicContact CB-CB 4.47Å; I168-A173 HydrophobicContact CG2-CB 4.16Å
169D90.1Very high87.5Confident95 Ų9568.5 Ų68.551%0.50834%0.343SS..  trans-58.8147.5173.6175.364.2000111.1E171 E172 A173D169-E171 VanDerWaalsContact C-N 3.35Å; D169-E171 PolarHBondContact O-N 3.02Å; D169-E171 WeakPolarHBondContact OD2-CB 3.12Å; D169-E171 PolarHBondContact OD2-N 3.2Å; D169-E172 HydrophobicContact CB-CB 4.27Å; D169-E172 PolarHBondContact O-N 3.32Å; D169-E172 PolarHBondContact OD2-N 3.32Å; D169-A173 WeakPolarHBondContact O-CB 3.27Å; D169-A173 PolarHBondContact O-N 2.91Å
170K87.3Confident88Confident133 Ų13367.9 Ų67.958%0.57834%0.34SS*.Hα-helixtrans-65.2-35.9-174.4-71.1-174.91791790113.1L174K170-L174 WeakPolarHBondContact O-CB 3.33Å; K170-L174 PolarHBondContact O-N 3.4Å
171E88.9Confident88.5Confident132 Ų13267.8 Ų67.862%0.61734%0.339SS*.Hα-helixtrans-72.1-39.9178.2-64.6-169.7176.300111.2D169 L174 K175D169-E171 VanDerWaalsContact C-N 3.35Å; D169-E171 PolarHBondContact O-N 3.02Å; D169-E171 WeakPolarHBondContact OD2-CB 3.12Å; D169-E171 PolarHBondContact OD2-N 3.2Å; E171-L174 PolarHBondContact O-N 2.89Å; E171-K175 WeakPolarHBondContact O-CG 3.4Å; E171-K175 PolarHBondContact O-N 3.35Å
172E90.6Very high89.2Confident111 Ų11168 Ų6852%0.51934%0.337SS..Hα-helixtrans-64.9-45.7174.5-174.5174.9-167.600111.3I168 D169 L174 K175 D176I168-E172 HydrophobicContact CG2-CB 3.92Å; I168-E172 HydrophobicContact CG2-CG 3.88Å; D169-E172 HydrophobicContact CB-CB 4.27Å; D169-E172 PolarHBondContact O-N 3.32Å; D169-E172 PolarHBondContact OD2-N 3.32Å; E172-L174 VanDerWaalsContact C-N 3.29Å; E172-L174 PolarHBondContact O-N 3.42Å; E172-K175 PolarHBondContact O-N 3.03Å; E172-D176 WeakPolarHBondContact O-CB 3.5Å; E172-D176 PolarHBondContact O-N 2.89Å
173A90.3Very high89.7Confident0 Ų068.7 Ų68.70%034%0.339CS..Hα-helixtrans-58.7-40.1175.400000112.1V160 Y165 I168 D169 F177V160-A173 HydrophobicContact CB-CB 4.2Å; V160-A173 HydrophobicContact CG1-CB 4.11Å; Y165-A173 HydrophobicContact CD1-CB 3.4Å; Y165-A173 HydrophobicContact CE1-CB 4.12Å; Y165-A173 HydrophobicContact CG-CB 3.68Å; I168-A173 HydrophobicContact CB-CB 4.47Å; I168-A173 HydrophobicContact CG2-CB 4.16Å; D169-A173 WeakPolarHBondContact O-CB 3.27Å; D169-A173 PolarHBondContact O-N 2.91Å; A173-F177 WeakPolarHBondContact O-CB 3.39Å; A173-F177 PolarHBondContact O-N 2.97Å
174L90.3Very high90.3Very high34 Ų3465.2 Ų65.218%0.17831%0.314CS..Hα-helixtrans-63.1-50174.8176.864.4000111.2V155 L156 V160 K170 E171 E172 D176 F177 L178V155-L174 HydrophobicContact CB-CD1 4.26Å; V155-L174 HydrophobicContact CG1-CD1 3.49Å; V155-L174 VanDerWaalsContact CG1-CD1 3.49Å; L156-L174 HydrophobicContact CD2-CD1 4.2Å; L156-L174 HydrophobicContact CD2-CD2 4.06Å; L156-L174 HydrophobicContact CG-CD1 4.47Å; V160-L174 HydrophobicContact CG1-CB 4.25Å; K170-L174 WeakPolarHBondContact O-CB 3.33Å; K170-L174 PolarHBondContact O-N 3.4Å; E171-L174 PolarHBondContact O-N 2.89Å; E172-L174 VanDerWaalsContact C-N 3.29Å; E172-L174 PolarHBondContact O-N 3.42Å; L174-D176 PolarHBondContact O-N 2.89Å; L174-F177 PolarHBondContact O-N 3.42Å; L174-L178 HydrophobicContact CD1-CD1 4.25Å; L174-L178 HydrophobicContact CD1-CG 4.28Å; L174-L178 HydrophobicContact CG-CD1 4.22Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 3.34Å; L174-L178 PolarHBondContact O-N 3.13Å
175K91.4Very high90.8Very high132 Ų13268.3 Ų68.357%0.57433%0.328SS*.Hα-helixtrans-60.2-46179.6-73171.2-175.4166.90111.5E171 E172 L178 K179E171-K175 WeakPolarHBondContact O-CG 3.4Å; E171-K175 PolarHBondContact O-N 3.35Å; E172-K175 PolarHBondContact O-N 3.03Å; K175-L178 PolarHBondContact O-N 3.26Å; K175-K179 PolarHBondContact O-N 3.43Å
176D93.2Very high91.1Very high12 Ų1275.4 Ų75.46%0.06436%0.359CS..Hα-helixtrans-60-48.2175.8-177.881.5000111.4Y72 D74 H75 Y165 E172 L174 L178 K179 R180Y72-D176 PolarHBondContact OH-OD1 2.92Å; Y72-D176 PolarHBondContact OH-OD2 3.15Å; D74-D176 WeakPolarHBondContact CA-OD1 3.45Å; D74-D176 WeakPolarHBondContact CB-OD1 3.34Å; H75-D176 WeakPolarHBondContact CB-O 3.33Å; H75-D176 WeakPolarHBondContact CB-OD1 3.4Å; H75-D176 IonicContact CD2-OD1 3.71Å; H75-D176 PolarHBondContact CD2-OD1 3.03Å; H75-D176 VanDerWaalsContact CD2-OD1 3.27Å; H75-D176 IonicContact CG-OD1 2.84Å; H75-D176 PolarHBondContact N-OD1 3.2Å; H75-D176 PolarHBondContact N-OD2 2.96Å; Y165-D176 HydrophobicContact CE1-CB 3.96Å; Y165-D176 VanDerWaalsContact CE1-OD2 3.29Å; Y165-D176 WeakPolarHBondContact CE1-OD2 3.17Å; Y165-D176 PolarHBondContact OH-OD2 3.42Å; E172-D176 WeakPolarHBondContact O-CB 3.5Å; E172-D176 PolarHBondContact O-N 2.89Å; L174-D176 PolarHBondContact O-N 2.89Å; D176-L178 VanDerWaalsContact C-N 3.32Å; D176-L178 PolarHBondContact O-N 3.01Å; D176-K179 PolarHBondContact O-N 3.49Å; D176-R180 PolarHBondContact O-N 2.82Å
177F92.4Very high91.6Very high4 Ų468.2 Ų68.22%0.01833%0.326CS..Hα-helixtrans-65.3-34.4-178.2-163.1-89.2000112.9P34 A35 V155 K159 Y165 A173 L174 R180 I181P34-F177 HydrophobicContact CB-CE1 4.08Å; P34-F177 HydrophobicContact CB-CZ 3.74Å; A35-F177 HydrophobicContact CB-CE1 3.82Å; A35-F177 HydrophobicContact CB-CZ 4.36Å; V155-F177 HydrophobicContact CB-CD1 4.31Å; V155-F177 HydrophobicContact CG1-CB 4.17Å; V155-F177 HydrophobicContact CG1-CD1 3.67Å; V155-F177 HydrophobicContact CG1-CE1 4.44Å; V155-F177 HydrophobicContact CG1-CG 4.11Å; V155-F177 HydrophobicContact CG2-CD1 3.61Å; V155-F177 HydrophobicContact CG2-CE1 3.75Å; K159-F177 HydrophobicContact CB-CD1 4.26Å; K159-F177 HydrophobicContact CB-CD2 4.01Å; K159-F177 HydrophobicContact CB-CE1 4.01Å; K159-F177 HydrophobicContact CB-CE2 3.73Å; K159-F177 HydrophobicContact CB-CG 4.26Å; K159-F177 HydrophobicContact CB-CZ 3.73Å; K159-F177 HydrophobicContact CD-CE2 4.12Å; K159-F177 HydrophobicContact CD-CZ 3.84Å; K159-F177 HydrophobicContact CG-CE1 3.85Å; K159-F177 HydrophobicContact CG-CE2 3.94Å; K159-F177 HydrophobicContact CG-CZ 3.49Å; K159-F177 VanDerWaalsContact CG-CZ 3.49Å; Y165-F177 HydrophobicContact CE2-CB 4.45Å; Y165-F177 AromaticContact CE2-CD2 3.63Å; Y165-F177 HydrophobicContact CE2-CD2 3.63Å; Y165-F177 HydrophobicContact CE2-CE2 4.41Å; Y165-F177 HydrophobicContact CE2-CG 4.5Å; Y165-F177 AromaticContact CZ-CD2 3.91Å; Y165-F177 WeakPolarHBondContact OH-CD2 3.34Å; A173-F177 WeakPolarHBondContact O-CB 3.39Å; A173-F177 PolarHBondContact O-N 2.97Å; L174-F177 PolarHBondContact O-N 3.42Å; F177-R180 WeakPolarHBondContact O-CB 3.32Å; F177-R180 PolarHBondContact O-N 3.08Å; F177-I181 HydrophobicContact CD1-CD1 3.78Å; F177-I181 HydrophobicContact CD1-CG1 4.14Å; F177-I181 HydrophobicContact CE1-CD1 3.73Å; F177-I181 HydrophobicContact CE1-CG1 3.94Å; F177-I181 WeakPolarHBondContact O-CG1 3.47Å; F177-I181 PolarHBondContact O-N 2.72Å
178L92.2Very high92.2Very high73 Ų7365.7 Ų65.738%0.38230%0.301SS..Hα-helixtrans-64.7-45173.9-71.4174.7000111.4L174 K175 D176 R180 I181 E182L174-L178 HydrophobicContact CD1-CD1 4.25Å; L174-L178 HydrophobicContact CD1-CG 4.28Å; L174-L178 HydrophobicContact CG-CD1 4.22Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 3.34Å; L174-L178 PolarHBondContact O-N 3.13Å; K175-L178 PolarHBondContact O-N 3.26Å; D176-L178 VanDerWaalsContact C-N 3.32Å; D176-L178 PolarHBondContact O-N 3.01Å; L178-R180 VanDerWaalsContact C-N 3.28Å; L178-R180 PolarHBondContact O-N 3.02Å; L178-I181 HydrophobicContact CD2-CD1 4.34Å; L178-I181 WeakPolarHBondContact O-CA 3.44Å; L178-I181 WeakPolarHBondContact O-CB 3.4Å; L178-I181 PolarHBondContact O-N 3.45Å; L178-E182 PolarHBondContact O-N 3.11Å
179K94.2Very high92.8Very high98 Ų9868.6 Ų68.643%0.42631%0.313SS..Hα-helixtrans-62.2-37.2172.8-69.2-179.2179.71790112.2H75 K175 D176 I181 E182 H183H75-K179 HydrophobicContact CB-CB 3.88Å; H75-K179 WeakPolarHBondContact CD2-CD 3.5Å; H75-K179 WeakPolarHBondContact NE2-CD 3.31Å; K175-K179 PolarHBondContact O-N 3.43Å; D176-K179 PolarHBondContact O-N 3.49Å; K179-I181 VanDerWaalsContact C-N 3.29Å; K179-I181 PolarHBondContact O-N 3.29Å; K179-E182 WeakPolarHBondContact O-CB 3.48Å; K179-E182 PolarHBondContact O-N 3.22Å; K179-H183 PolarHBondContact O-CD2 3.01Å; K179-H183 PolarHBondContact O-N 3.47Å; K179-H183 VanDerWaalsContact O-N 3.08Å
180R93.8Very high93.1Very high25 Ų2566.1 Ų66.19%0.09430%0.304CS..Hα-helixtrans-58.9-41.5172.2176.2179175.3-177.8-1.7111.2H75 F78 D164 D176 F177 L178 H183 Y184H75-R180 HydrophobicContact CB-CB 4.03Å; F78-R180 HydrophobicContact CB-CG 4.17Å; F78-R180 HydrophobicContact CD2-CB 4.39Å; F78-R180 HydrophobicContact CD2-CG 3.69Å; F78-R180 HydrophobicContact CE2-CG 4.22Å; F78-R180 HydrophobicContact CG-CG 3.86Å; D164-R180 IonicContact OD2-CZ 3.67Å; D164-R180 IonicContact OD2-NH1 3.82Å; D164-R180 PolarHBondContact OD2-NH1 3.39Å; D164-R180 IonicContact OD2-NH2 3.22Å; D176-R180 PolarHBondContact O-N 2.82Å; F177-R180 WeakPolarHBondContact O-CB 3.32Å; F177-R180 PolarHBondContact O-N 3.08Å; L178-R180 VanDerWaalsContact C-N 3.28Å; L178-R180 PolarHBondContact O-N 3.02Å; R180-H183 PolarHBondContact O-N 2.83Å; R180-Y184 HydrophobicContact CG-CD2 4.23Å; R180-Y184 HydrophobicContact CG-CE2 3.91Å; R180-Y184 WeakPolarHBondContact O-CD2 3.17Å; R180-Y184 PolarHBondContact O-N 3.17Å
181I93.2Very high93.6Very high7 Ų759.9 Ų59.94%0.03628%0.277CS..Hα-helixtrans-60.6-46.3174.4-72.3165000110.6P34 R36 I151 V155 F177 L178 K179 H183 Y184 E185P34-I181 HydrophobicContact CB-CG1 4.17Å; P34-I181 HydrophobicContact CG-CG1 4.43Å; R36-I181 VanDerWaalsContact NH1-CG2 3.25Å; I151-I181 HydrophobicContact CG2-CD1 4.33Å; V155-I181 HydrophobicContact CG2-CD1 4.15Å; F177-I181 HydrophobicContact CD1-CD1 3.78Å; F177-I181 HydrophobicContact CD1-CG1 4.14Å; F177-I181 HydrophobicContact CE1-CD1 3.73Å; F177-I181 HydrophobicContact CE1-CG1 3.94Å; F177-I181 WeakPolarHBondContact O-CG1 3.47Å; F177-I181 PolarHBondContact O-N 2.72Å; L178-I181 HydrophobicContact CD2-CD1 4.34Å; L178-I181 WeakPolarHBondContact O-CA 3.44Å; L178-I181 WeakPolarHBondContact O-CB 3.4Å; L178-I181 PolarHBondContact O-N 3.45Å; K179-I181 VanDerWaalsContact C-N 3.29Å; K179-I181 PolarHBondContact O-N 3.29Å; I181-H183 VanDerWaalsContact C-N 3.28Å; I181-H183 PolarHBondContact O-N 2.89Å; I181-Y184 PolarHBondContact O-N 3.36Å; I181-E185 HydrophobicContact CG2-CG 4.04Å; I181-E185 WeakPolarHBondContact CG2-OE1 3.39Å; I181-E185 PolarHBondContact O-N 3.36Å
182E94.6Very high94.1Very high103 Ų10356.6 Ų56.648%0.48126%0.263SS..Hα-helixtrans-56-42178.5-66.2169.9-171.800111.9L178 K179 Y184 E185 K186L178-E182 PolarHBondContact O-N 3.11Å; K179-E182 WeakPolarHBondContact O-CB 3.48Å; K179-E182 PolarHBondContact O-N 3.22Å; E182-Y184 VanDerWaalsContact C-N 3.32Å; E182-Y184 PolarHBondContact O-N 3.47Å; E182-E185 PolarHBondContact O-N 2.97Å; E182-K186 WeakPolarHBondContact O-CG 3.41Å; E182-K186 PolarHBondContact O-N 3.31Å; E182-K186 VanDerWaalsContact O-N 3.11Å
183H95Very high94.4Very high25 Ų2554.6 Ų54.612%0.11626%0.256CS..Hα-helixtrans-60.6-38.6175.1-67.7-54.4000112.9H75 K179 R180 I181H75-H183 AromaticContact CE1-NE2 3.91Å; H75-H183 AromaticContact CG-NE2 4Å; H75-H183 AromaticContact ND1-CD2 3.76Å; H75-H183 AromaticContact ND1-NE2 3.07Å; H75-H183 PolarHBondContact ND1-NE2 3.49Å; H75-H183 PolarHBondContact O-CD2 3.41Å; H75-H183 VanDerWaalsContact O-CD2 3.29Å; K179-H183 PolarHBondContact O-CD2 3.01Å; K179-H183 PolarHBondContact O-N 3.47Å; K179-H183 VanDerWaalsContact O-N 3.08Å; R180-H183 PolarHBondContact O-N 2.83Å; I181-H183 VanDerWaalsContact C-N 3.28Å; I181-H183 PolarHBondContact O-N 2.89Å
184Y94.6Very high94.7Very high16 Ų1660.6 Ų60.66%0.06329%0.288CS..Hα-helixtrans-73.7-35.4174.5-76.3-78.6000112.7P34 F78 T117 T119 R180 I181 E182 K186 R187 Y188P34-Y184 HydrophobicContact CG-CD2 3.38Å; P34-Y184 HydrophobicContact CG-CE2 3.78Å; P34-Y184 HydrophobicContact CG-CG 3.95Å; F78-Y184 HydrophobicContact CB-CE2 4.24Å; F78-Y184 HydrophobicContact CD1-CE2 4.06Å; F78-Y184 VanDerWaalsContact CD1-OH 3.25Å; F78-Y184 WeakPolarHBondContact CD1-OH 3.45Å; F78-Y184 HydrophobicContact CG-CE2 4.3Å; T117-Y184 HydrophobicContact CG2-CD1 4.13Å; T117-Y184 HydrophobicContact CG2-CE1 3.87Å; T117-Y184 WeakPolarHBondContact OG1-CE1 3.45Å; T119-Y184 HydrophobicContact CG2-CD1 3.99Å; R180-Y184 HydrophobicContact CG-CD2 4.23Å; R180-Y184 HydrophobicContact CG-CE2 3.91Å; R180-Y184 WeakPolarHBondContact O-CD2 3.17Å; R180-Y184 PolarHBondContact O-N 3.17Å; I181-Y184 PolarHBondContact O-N 3.36Å; E182-Y184 VanDerWaalsContact C-N 3.32Å; E182-Y184 PolarHBondContact O-N 3.47Å; Y184-K186 VanDerWaalsContact C-N 3.34Å; Y184-K186 PolarHBondContact O-N 2.87Å; Y184-R187 VanDerWaalsContact CD1-NH2 3.26Å; Y184-R187 WeakPolarHBondContact O-CG 3.47Å; Y184-R187 PolarHBondContact O-N 3.34Å; Y184-Y188 WeakPolarHBondContact O-CB 3.22Å; Y184-Y188 PolarHBondContact O-N 2.75Å; Y184-Y188 VanDerWaalsContact O-N 3.16Å
185E94.8Very high95Very high89 Ų8964.4 Ų64.442%0.41631%0.308SS..Hα-helixtrans-63.2-38.7-179.9-79.2175.6177.200112.1L33 R36 I181 E182 R187 Y188L33-E185 HydrophobicContact CD1-CG 3.54Å; L33-E185 HydrophobicContact CD2-CG 3.83Å; L33-E185 HydrophobicContact CG-CG 4.32Å; R36-E185 IonicContact CZ-OE1 3.44Å; R36-E185 IonicContact NH2-OE1 3.13Å; R36-E185 PolarHBondContact NH2-OE1 3.1Å; I181-E185 HydrophobicContact CG2-CG 4.04Å; I181-E185 WeakPolarHBondContact CG2-OE1 3.39Å; I181-E185 PolarHBondContact O-N 3.36Å; E182-E185 PolarHBondContact O-N 2.97Å; E185-R187 PolarHBondContact O-N 3.33Å; E185-R187 VanDerWaalsContact O-N 3.1Å; E185-Y188 PolarHBondContact O-N 3.24Å
186K94.8Very high95.3Very high154 Ų15458.2 Ų58.267%0.6728%0.281SS*.THydrogen-bonded Turntrans-56.2-27177.4-73.4177.1-178-178.90114.5E182 Y184E182-K186 WeakPolarHBondContact O-CG 3.41Å; E182-K186 PolarHBondContact O-N 3.31Å; E182-K186 VanDerWaalsContact O-N 3.11Å; Y184-K186 VanDerWaalsContact C-N 3.34Å; Y184-K186 PolarHBondContact O-N 2.87Å
187R92Very high95.4Very high45 Ų4563.9 Ų63.917%0.1731%0.305CS..THydrogen-bonded Turntrans-116.33.8-177.368.9171.1174.4-151.2-18.8114.2D80 T119 T120 Y184 E185 E189D80-R187 IonicContact OD1-CZ 2.68Å; D80-R187 IonicContact OD1-NH1 2.67Å; D80-R187 PolarHBondContact OD1-NH1 2.69Å; D80-R187 WeakPolarHBondContact OD2-CD 3.4Å; D80-R187 IonicContact OD2-NH1 3.58Å; T119-R187 PolarHBondContact OG1-NE 2.94Å; T120-R187 HydrophobicContact CG2-CB 4.24Å; T120-R187 HydrophobicContact CG2-CG 4.37Å; Y184-R187 VanDerWaalsContact CD1-NH2 3.26Å; Y184-R187 WeakPolarHBondContact O-CG 3.47Å; Y184-R187 PolarHBondContact O-N 3.34Å; E185-R187 PolarHBondContact O-N 3.33Å; E185-R187 VanDerWaalsContact O-N 3.1Å; R187-E189 PolarHBondContact O-N 2.76Å; R187-E189 VanDerWaalsContact O-N 3.13Å
188Y96.7Very high95.6Very high54 Ų5466.2 Ų66.221%0.21233%0.331CS..  trans-75.7109.4-171.2173.5-130.8000110.6L33 T119 E142 Y184 E185L33-Y188 HydrophobicContact CD1-CD1 3.83Å; L33-Y188 HydrophobicContact CD1-CE1 4.18Å; L33-Y188 HydrophobicContact CD1-CG 4.45Å; L33-Y188 HydrophobicContact CD2-CD1 4.12Å; L33-Y188 HydrophobicContact CD2-CG 3.89Å; L33-Y188 HydrophobicContact CG-CD1 3.82Å; L33-Y188 HydrophobicContact CG-CE1 4.17Å; L33-Y188 HydrophobicContact CG-CG 4.01Å; T119-Y188 HydrophobicContact CG2-CD2 3.86Å; T119-Y188 HydrophobicContact CG2-CG 4.41Å; T119-Y188 WeakPolarHBondContact O-CA 3.43Å; E142-Y188 PolarHBondContact OE1-OH 3.28Å; Y184-Y188 WeakPolarHBondContact O-CB 3.22Å; Y184-Y188 PolarHBondContact O-N 2.75Å; Y184-Y188 VanDerWaalsContact O-N 3.16Å; E185-Y188 PolarHBondContact O-N 3.24Å
189E97.7Very high95.9Very high98 Ų9864.4 Ų64.446%0.45832%0.319SS..  trans-102.1104.1170.9-62171.5147.900106.9T119 T120 R121 R124 R187T119-E189 PolarHBondContact O-N 3.35Å; T120-E189 WeakPolarHBondContact CA-OE2 3.29Å; R121-E189 WeakPolarHBondContact CB-OE2 3.3Å; R121-E189 PolarHBondContact N-OE2 2.82Å; R124-E189 PolarHBondContact NH1-O 3.01Å; R124-E189 PolarHBondContact NH2-O 3.42Å; R187-E189 PolarHBondContact O-N 2.76Å; R187-E189 VanDerWaalsContact O-N 3.13Å
190S97.6Very high96.1Very high44 Ų4461 Ų6131%0.30831%0.307SS..PPolyproline II helixtrans-56.8158.9172.9-168.90000110.4R124 E142 D192R124-S190 PolarHBondContact NH2-O 3.1Å; R124-S190 VanDerWaalsContact NH2-O 3.16Å; E142-S190 VanDerWaalsContact CD-OG 3.25Å; E142-S190 WeakPolarHBondContact OE1-CA 3.24Å; E142-S190 WeakPolarHBondContact OE1-CB 3.44Å; E142-S190 PolarHBondContact OE1-OG 2.72Å; E142-S190 PolarHBondContact OE2-OG 2.85Å; S190-D192 PolarHBondContact O-N 2.86Å
191I98.4Very high96.3Very high2 Ų259.9 Ų59.91%0.0130%0.303CS..PPolyproline II helixtrans-60129170.1-60.6176.4000107V31 F140 E142 D196 Y201 K203V31-I191 HydrophobicContact CB-CD1 4.5Å; V31-I191 HydrophobicContact CG1-CG1 4.37Å; V31-I191 HydrophobicContact CG2-CD1 4.24Å; F140-I191 HydrophobicContact CB-CD1 3.5Å; F140-I191 HydrophobicContact CG-CD1 4.16Å; E142-I191 HydrophobicContact CB-CD1 3.86Å; E142-I191 HydrophobicContact CB-CG1 4.42Å; E142-I191 PolarHBondContact OE1-N 2.8Å; E142-I191 WeakPolarHBondContact OE2-CB 3.4Å; E142-I191 WeakPolarHBondContact OE2-CG1 3.35Å; E142-I191 PolarHBondContact OE2-N 3.12Å; I191-D196 HydrophobicContact CG2-CB 3.84Å; I191-Y201 HydrophobicContact CD1-CG 4.34Å; I191-Y201 HydrophobicContact CG2-CD1 3.86Å; I191-Y201 HydrophobicContact CG2-CD2 4.02Å; I191-Y201 HydrophobicContact CG2-CE1 3.9Å; I191-Y201 HydrophobicContact CG2-CE2 4.04Å; I191-Y201 HydrophobicContact CG2-CG 3.94Å; I191-K203 WeakPolarHBondContact O-CE 2.93Å; I191-K203 PolarHBondContact O-NZ 2.97Å
192D98Very high96.5Very high63 Ų6359.6 Ų59.634%0.33730%0.301SS..PPolyproline II helixtrans-97.8128.6-174.8-176.5-80.2000110.3S190 D194 L195 D196S190-D192 PolarHBondContact O-N 2.86Å; D192-D194 PolarHBondContact O-N 2.75Å; D192-D194 WeakPolarHBondContact OD1-CA 3.38Å; D192-D194 PolarHBondContact OD1-N 3.49Å; D192-L195 HydrophobicContact CB-CB 3.99Å; D192-L195 HydrophobicContact CB-CD1 4.21Å; D192-L195 HydrophobicContact CB-CG 4.3Å; D192-L195 WeakPolarHBondContact OD1-CG 3.41Å; D192-L195 PolarHBondContact OD1-N 2.92Å; D192-D196 PolarHBondContact N-OD2 3.32Å; D192-D196 VanDerWaalsContact N-OD2 3.07Å; D192-D196 WeakPolarHBondContact O-CA 3.49Å; D192-D196 WeakPolarHBondContact O-CB 3.42Å; D192-D196 PolarHBondContact O-N 3Å
193D96.4Very high96.7Very high69 Ų6955.1 Ų55.137%0.36928%0.28SS..THydrogen-bonded Turntrans-70.6-18.1-171.8-64.6-40.9000113.3K197 Y201 K203D193-K197 WeakPolarHBondContact O-CB 3.41Å; D193-Y201 WeakPolarHBondContact CA-OH 3.23Å; D193-Y201 PolarHBondContact OD1-OH 3.15Å; D193-K203 IonicContact OD1-NZ 2.68Å; D193-K203 PolarHBondContact OD1-NZ 2.79Å; D193-K203 IonicContact OD2-NZ 3Å; D193-K203 PolarHBondContact OD2-NZ 2.69Å; D193-K203 VanDerWaalsContact OD2-NZ 3.17Å
194D97Very high96.8Very high126 Ų12654.3 Ų54.367%0.67428%0.277SS*.THydrogen-bonded Turntrans-99.4-47.1178.5-71-48.3000111.9D192 K197D192-D194 PolarHBondContact O-N 2.75Å; D192-D194 WeakPolarHBondContact OD1-CA 3.38Å; D192-D194 PolarHBondContact OD1-N 3.49Å; D194-K197 WeakPolarHBondContact O-CD 3.49Å; D194-K197 WeakPolarHBondContact O-CG 3.49Å
195L96.9Very high96.8Very high114 Ų11455.4 Ų55.460%0.59728%0.282SS*.THydrogen-bonded Turntrans-73.2-33-179.5-60.3173.7000112.3R121 D192R121-L195 PolarHBondContact NH2-O 2.67Å; D192-L195 HydrophobicContact CB-CB 3.99Å; D192-L195 HydrophobicContact CB-CD1 4.21Å; D192-L195 HydrophobicContact CB-CG 4.3Å; D192-L195 WeakPolarHBondContact OD1-CG 3.41Å; D192-L195 PolarHBondContact OD1-N 2.92Å
196D97.6Very high96.6Very high1 Ų153.3 Ų53.31%0.00527%0.274CS..SBendtrans-10712.5-176.3-54.9-27.5000112.1R121 R124 I191 D192 G198 W199R121-D196 IonicContact CZ-OD1 3.6Å; R121-D196 IonicContact NE-OD1 3.8Å; R121-D196 PolarHBondContact NE-OD1 3.15Å; R121-D196 IonicContact NH2-OD1 3.59Å; R121-D196 PolarHBondContact NH2-OD1 3.25Å; R124-D196 IonicContact NH2-OD2 3.89Å; R124-D196 PolarHBondContact NH2-OD2 3.06Å; I191-D196 HydrophobicContact CG2-CB 3.84Å; D192-D196 PolarHBondContact N-OD2 3.32Å; D192-D196 VanDerWaalsContact N-OD2 3.07Å; D192-D196 WeakPolarHBondContact O-CA 3.49Å; D192-D196 WeakPolarHBondContact O-CB 3.42Å; D192-D196 PolarHBondContact O-N 3Å; D196-G198 PolarHBondContact O-N 2.92Å; D196-W199 HydrophobicContact CB-CD2 3.81Å; D196-W199 HydrophobicContact CB-CE3 3.59Å; D196-W199 HydrophobicContact CB-CG 4.4Å; D196-W199 HydrophobicContact CB-CH2 4.34Å; D196-W199 HydrophobicContact CB-CZ2 4.5Å; D196-W199 HydrophobicContact CB-CZ3 3.89Å; D196-W199 WeakPolarHBondContact O-CB 3.34Å; D196-W199 PolarHBondContact O-N 3.15Å; D196-W199 WeakPolarHBondContact OD1-CH2 3.31Å; D196-W199 WeakPolarHBondContact OD1-CZ2 3.29Å; D196-W199 WeakPolarHBondContact OD1-CZ3 3.47Å
197K96.6Very high96.2Very high132 Ų13248 Ų4857%0.57425%0.251SS*.THydrogen-bonded Turntrans-53.3-20.6-178.671-175.3171.6-170.70115.6D193 D194 N214 R215D193-K197 WeakPolarHBondContact O-CB 3.41Å; D194-K197 WeakPolarHBondContact O-CD 3.49Å; D194-K197 WeakPolarHBondContact O-CG 3.49Å; K197-N214 PolarHBondContact O-ND2 3.44Å; K197-R215 VanDerWaalsContact O-CD 3.25Å; K197-R215 WeakPolarHBondContact O-CD 3.25Å; K197-R215 PolarHBondContact O-NE 3.46Å
198G96.5Very high96.1Very high53 Ų5346.7 Ų46.755%0.54625%0.251SS..THydrogen-bonded Turntrans-81.8-10.3177.500000114.4D196D196-G198 PolarHBondContact O-N 2.92Å
199W97.5Very high95.7Very high35 Ų3552.9 Ų52.913%0.13328%0.275CS..SBendtrans-98.2150.3-173.5-53.5-11.2000111.6R121 R124 L125 M128 F140 D196 Y201 N214R121-W199 HydrophobicContact CG-CH2 4.1Å; R124-W199 HydrophobicContact CB-CH2 4.44Å; R124-W199 HydrophobicContact CB-CZ3 4.11Å; L125-W199 HydrophobicContact CD2-CH2 4.21Å; L125-W199 HydrophobicContact CD2-CZ2 3.73Å; L125-W199 HydrophobicContact CG-CH2 4.17Å; L125-W199 HydrophobicContact CG-CZ2 4.21Å; M128-W199 HydrophobicContact CE-CD2 3.85Å; M128-W199 HydrophobicContact CE-CE3 4.42Å; M128-W199 HydrophobicContact CE-CG 4.44Å; M128-W199 HydrophobicContact CE-CH2 3.82Å; M128-W199 HydrophobicContact CE-CZ2 3.15Å; M128-W199 HydrophobicContact CE-CZ3 4.4Å; M128-W199 HydrophobicContact SD-CD2 3.68Å; M128-W199 HydrophobicContact SD-CE3 4.25Å; M128-W199 HydrophobicContact SD-CG 3.87Å; M128-W199 HydrophobicContact SD-CZ2 4.14Å; F140-W199 HydrophobicContact CD2-CB 4.43Å; F140-W199 HydrophobicContact CD2-CE3 4.03Å; F140-W199 HydrophobicContact CE2-CB 4.45Å; F140-W199 HydrophobicContact CE2-CD2 4.14Å; F140-W199 AromaticContact CE2-CE3 3.6Å; F140-W199 HydrophobicContact CE2-CE3 3.6Å; F140-W199 HydrophobicContact CE2-CZ3 4.22Å; F140-W199 HydrophobicContact CZ-CE3 4.22Å; F140-W199 HydrophobicContact CZ-CZ3 4.39Å; D196-W199 HydrophobicContact CB-CD2 3.81Å; D196-W199 HydrophobicContact CB-CE3 3.59Å; D196-W199 HydrophobicContact CB-CG 4.4Å; D196-W199 HydrophobicContact CB-CH2 4.34Å; D196-W199 HydrophobicContact CB-CZ2 4.5Å; D196-W199 HydrophobicContact CB-CZ3 3.89Å; D196-W199 WeakPolarHBondContact O-CB 3.34Å; D196-W199 PolarHBondContact O-N 3.15Å; D196-W199 WeakPolarHBondContact OD1-CH2 3.31Å; D196-W199 WeakPolarHBondContact OD1-CZ2 3.29Å; D196-W199 WeakPolarHBondContact OD1-CZ3 3.47Å; W199-Y201 HydrophobicContact CB-CD1 4.31Å; W199-Y201 VanDerWaalsContact O-CD1 3.26Å; W199-Y201 WeakPolarHBondContact O-CD1 3.3Å; W199-N214 PolarHBondContact O-ND2 3.44Å
200S98Very high95.6Very high26 Ų2656.1 Ų56.118%0.18228%0.282CS..EExtended strand (participates in β ladder)trans-78.8121.4169-600000109.9I139 F140 N214 R215I139-S200 WeakPolarHBondContact CA-O 3.24Å; F140-S200 PolarHBondContact N-O 3.49Å; S200-N214 WeakPolarHBondContact CA-O 3.25Å; S200-R215 VanDerWaalsContact CB-O 3.3Å; S200-R215 WeakPolarHBondContact CB-O 3.48Å; S200-R215 PolarHBondContact OG-O 3.45Å
201Y98.4Very high95.5Very high2 Ų256.9 Ų56.91%0.00828%0.279CS..EExtended strand (participates in β ladder)trans-154156177.864.8-95.5000113.9F140 I191 D193 W199 K203 L212 A213 N214F140-Y201 CarbonylContact O-C 3.58Å; F140-Y201 WeakPolarHBondContact O-CA 3.33Å; F140-Y201 WeakPolarHBondContact O-CB 3.02Å; I191-Y201 HydrophobicContact CD1-CG 4.34Å; I191-Y201 HydrophobicContact CG2-CD1 3.86Å; I191-Y201 HydrophobicContact CG2-CD2 4.02Å; I191-Y201 HydrophobicContact CG2-CE1 3.9Å; I191-Y201 HydrophobicContact CG2-CE2 4.04Å; I191-Y201 HydrophobicContact CG2-CG 3.94Å; D193-Y201 WeakPolarHBondContact CA-OH 3.23Å; D193-Y201 PolarHBondContact OD1-OH 3.15Å; W199-Y201 HydrophobicContact CB-CD1 4.31Å; W199-Y201 VanDerWaalsContact O-CD1 3.26Å; W199-Y201 WeakPolarHBondContact O-CD1 3.3Å; Y201-K203 HydrophobicContact CD2-CG 4.06Å; Y201-K203 HydrophobicContact CE2-CD 4.27Å; Y201-K203 HydrophobicContact CE2-CG 4.18Å; Y201-L212 HydrophobicContact CD2-CD2 4.3Å; Y201-L212 HydrophobicContact CE2-CD2 3.5Å; Y201-A213 CarbonylContact O-C 3.59Å; Y201-A213 WeakPolarHBondContact O-CA 3.2Å; Y201-N214 HydrophobicContact CD1-CB 3.76Å; Y201-N214 HydrophobicContact CD2-CB 4.1Å; Y201-N214 HydrophobicContact CE1-CB 3.36Å; Y201-N214 WeakPolarHBondContact CE1-ND2 3.29Å; Y201-N214 HydrophobicContact CE2-CB 3.75Å; Y201-N214 HydrophobicContact CG-CB 4.1Å; Y201-N214 PolarHBondContact N-O 3.3Å; Y201-N214 PolarHBondContact O-N 2.95Å
202I98.5Very high95.4Very high0 Ų058.8 Ų58.80%029%0.289CS..EExtended strand (participates in β ladder)trans-124.4130.2165.5-177.1176.6000109.8F140 V141 E142 I204 Y211 L212 V225 L228 M229F140-I202 PolarHBondContact O-N 2.84Å; V141-I202 WeakPolarHBondContact CA-O 3.27Å; V141-I202 HydrophobicContact CB-CG2 4.19Å; V141-I202 HydrophobicContact CG1-CG2 4.15Å; V141-I202 HydrophobicContact CG2-CG2 3.75Å; E142-I202 PolarHBondContact N-O 3.38Å; I202-I204 HydrophobicContact CD1-CG1 4.26Å; I202-I204 HydrophobicContact CG1-CG1 4.23Å; I202-Y211 HydrophobicContact CD1-CD1 4.05Å; I202-L212 CarbonylContact C-O 3.19Å; I202-L212 VanDerWaalsContact CA-O 3.27Å; I202-L212 WeakPolarHBondContact CA-O 3.47Å; I202-V225 HydrophobicContact CB-CG2 4.16Å; I202-V225 HydrophobicContact CD1-CB 4.47Å; I202-V225 HydrophobicContact CD1-CG1 4.05Å; I202-V225 HydrophobicContact CD1-CG2 4.24Å; I202-V225 HydrophobicContact CG2-CG2 4.26Å; I202-L228 HydrophobicContact CD1-CB 4.36Å; I202-L228 HydrophobicContact CG2-CD1 3.96Å; I202-M229 HydrophobicContact CD1-CG 4.23Å
203K98.2Very high95.4Very high9 Ų958.5 Ų58.54%0.03930%0.295CS..EExtended strand (participates in β ladder)trans-100.2125.4167.9-61.5179.2175.1166.90109.1E142 I144 I191 D193 Y201 F205 Y211 L212E142-K203 HydrophobicContact CB-CG 4.19Å; E142-K203 CarbonylContact O-C 3.59Å; E142-K203 WeakPolarHBondContact O-CA 2.99Å; E142-K203 VanDerWaalsContact OE2-CE 3.3Å; E142-K203 WeakPolarHBondContact OE2-CE 3.28Å; E142-K203 WeakPolarHBondContact OE2-CG 3.24Å; I144-K203 HydrophobicContact CD1-CB 4.23Å; I144-K203 HydrophobicContact CD1-CD 4.17Å; I144-K203 HydrophobicContact CD1-CG 4.33Å; I191-K203 WeakPolarHBondContact O-CE 2.93Å; I191-K203 PolarHBondContact O-NZ 2.97Å; D193-K203 IonicContact OD1-NZ 2.68Å; D193-K203 PolarHBondContact OD1-NZ 2.79Å; D193-K203 IonicContact OD2-NZ 3Å; D193-K203 PolarHBondContact OD2-NZ 2.69Å; D193-K203 VanDerWaalsContact OD2-NZ 3.17Å; Y201-K203 HydrophobicContact CD2-CG 4.06Å; Y201-K203 HydrophobicContact CE2-CD 4.27Å; Y201-K203 HydrophobicContact CE2-CG 4.18Å; K203-F205 HydrophobicContact CB-CD2 4.2Å; K203-F205 HydrophobicContact CB-CE2 3.45Å; K203-F205 VanDerWaalsContact CB-CE2 3.45Å; K203-F205 HydrophobicContact CB-CZ 3.69Å; K203-F205 HydrophobicContact CD-CE2 4.28Å; K203-F205 HydrophobicContact CD-CZ 3.75Å; K203-F205 HydrophobicContact CG-CZ 4.37Å; K203-Y211 WeakPolarHBondContact O-CA 3.49Å; K203-L212 HydrophobicContact CB-CB 4.31Å; K203-L212 PolarHBondContact N-O 3.33Å; K203-L212 PolarHBondContact O-N 2.72Å
204I96.8Very high95.5Very high8 Ų857 Ų574%0.04129%0.287CS..EExtended strand (participates in β ladder)trans-108.1110.3177-55177000107.5I41 V141 E142 I144 I202 Y211 L228I41-I204 HydrophobicContact CD1-CD1 4.09Å; V141-I204 HydrophobicContact CG1-CD1 4.11Å; E142-I204 PolarHBondContact O-N 3.21Å; I144-I204 PolarHBondContact N-O 3.11Å; I202-I204 HydrophobicContact CD1-CG1 4.26Å; I202-I204 HydrophobicContact CG1-CG1 4.23Å; I204-Y211 HydrophobicContact CB-CD1 4.44Å; I204-Y211 HydrophobicContact CB-CE1 4.4Å; I204-Y211 HydrophobicContact CG1-CD1 4.02Å; I204-Y211 HydrophobicContact CG1-CE1 4.07Å; I204-Y211 HydrophobicContact CG2-CD1 4.29Å; I204-Y211 HydrophobicContact CG2-CE1 3.84Å; I204-L228 HydrophobicContact CD1-CB 4.15Å; I204-L228 HydrophobicContact CD1-CD1 4.47Å
205F94.2Very high95.5Very high40 Ų4057.1 Ų57.118%0.17528%0.278CS..EExtended strand (participates in β ladder)trans-98.3134.7-176.7-60.1-92.8000111.2I144 K203 Q207 G208 R209 R210 L212I144-F205 HydrophobicContact CB-CD1 3.97Å; I144-F205 HydrophobicContact CB-CE1 4.38Å; I144-F205 HydrophobicContact CD1-CD1 3.9Å; I144-F205 HydrophobicContact CD1-CE1 3.42Å; I144-F205 VanDerWaalsContact CD1-CE1 3.42Å; I144-F205 HydrophobicContact CD1-CZ 3.92Å; I144-F205 HydrophobicContact CG1-CD1 4.5Å; I144-F205 HydrophobicContact CG1-CE1 4.45Å; I144-F205 HydrophobicContact CG2-CD1 4Å; I144-F205 HydrophobicContact CG2-CE1 4.36Å; I144-F205 CarbonylContact O-C 3.58Å; I144-F205 WeakPolarHBondContact O-CA 3.11Å; K203-F205 HydrophobicContact CB-CD2 4.2Å; K203-F205 HydrophobicContact CB-CE2 3.45Å; K203-F205 VanDerWaalsContact CB-CE2 3.45Å; K203-F205 HydrophobicContact CB-CZ 3.69Å; K203-F205 HydrophobicContact CD-CE2 4.28Å; K203-F205 HydrophobicContact CD-CZ 3.75Å; K203-F205 HydrophobicContact CG-CZ 4.37Å; F205-Q207 PolarHBondContact O-N 2.68Å; F205-G208 PolarHBondContact O-N 3.13Å; F205-R209 PolarHBondContact O-N 3.21Å; F205-R210 HydrophobicContact CB-CB 4.06Å; F205-R210 HydrophobicContact CD2-CB 4.3Å; F205-R210 HydrophobicContact CD2-CG 4.02Å; F205-R210 WeakPolarHBondContact CD2-O 3.37Å; F205-R210 PolarHBondContact N-O 3.41Å; F205-R210 PolarHBondContact O-N 3.48Å; F205-L212 HydrophobicContact CE2-CB 3.99Å
206D90.6Very high95.5Very high45 Ų4553.6 Ų53.624%0.24126%0.26CS..THydrogen-bonded Turntrans46.655.5172.9-57.7-45000112.4I144 C145 K146 G208 R209I144-D206 PolarHBondContact O-N 2.99Å; C145-D206 WeakPolarHBondContact CA-OD1 3.42Å; K146-D206 PolarHBondContact N-OD1 3.49Å; D206-G208 VanDerWaalsContact C-N 3.31Å; D206-G208 PolarHBondContact O-N 2.86Å; D206-R209 HydrophobicContact CB-CB 4.3Å; D206-R209 HydrophobicContact CB-CG 4.42Å; D206-R209 WeakPolarHBondContact O-CG 3.4Å
207Q86.1Confident95Very high42 Ų4259.2 Ų59.220%0.19629%0.286CS..THydrogen-bonded Turntrans58.537179.9-57.6-172.215.700114.3L150 N154 F205 V233L150-Q207 HydrophobicContact CD1-CG 4.38Å; N154-Q207 PolarHBondContact ND2-NE2 2.75Å; F205-Q207 PolarHBondContact O-N 2.68Å; Q207-V233 HydrophobicContact CB-CB 4.16Å; Q207-V233 HydrophobicContact CB-CG2 3.81Å; Q207-V233 HydrophobicContact CG-CB 4.43Å; Q207-V233 HydrophobicContact CG-CG1 4.45Å; Q207-V233 HydrophobicContact CG-CG2 4.27Å; Q207-V233 VanDerWaalsContact OE1-CB 3.25Å
208G89.5Confident94.5Very high17 Ų1754.7 Ų54.718%0.17528%0.277CS..THydrogen-bonded Turntrans93.115.5174.100000114.6F205 D206 R210 Y211F205-G208 PolarHBondContact O-N 3.13Å; D206-G208 VanDerWaalsContact C-N 3.31Å; D206-G208 PolarHBondContact O-N 2.86Å; G208-R210 VanDerWaalsContact C-N 3.29Å; G208-Y211 VanDerWaalsContact CA-CZ 3.45Å; G208-Y211 WeakPolarHBondContact CA-OH 3.49Å; G208-Y211 WeakPolarHBondContact O-CE2 3.25Å; G208-Y211 PolarHBondContact O-OH 3.43Å
209R89.7Confident93.9Very high185 Ų18554.4 Ų54.470%0.69826%0.263SS*.THydrogen-bonded Turntrans-68.8-30.3172.1-73.8-179.4-176.2173.14.5112.5F205 D206F205-R209 PolarHBondContact O-N 3.21Å; D206-R209 HydrophobicContact CB-CB 4.3Å; D206-R209 HydrophobicContact CB-CG 4.42Å; D206-R209 WeakPolarHBondContact O-CG 3.4Å
210R94.4Very high93.6Very high165 Ų16552.8 Ų52.862%0.62326%0.257SS*.EExtended strand (participates in β ladder)trans-143.9149.2175.8172.6-179.9175.2177.5-1.4109.7F205 G208F205-R210 HydrophobicContact CB-CB 4.06Å; F205-R210 HydrophobicContact CD2-CB 4.3Å; F205-R210 HydrophobicContact CD2-CG 4.02Å; F205-R210 WeakPolarHBondContact CD2-O 3.37Å; F205-R210 PolarHBondContact N-O 3.41Å; F205-R210 PolarHBondContact O-N 3.48Å; G208-R210 VanDerWaalsContact C-N 3.29Å
211Y96.1Very high93.3Very high60 Ų6051.8 Ų51.824%0.23525%0.249CC..EExtended strand (participates in β ladder)trans-127.4149.1175.9-57-90.3000109.8I202 K203 I204 G208 M229I202-Y211 HydrophobicContact CD1-CD1 4.05Å; K203-Y211 WeakPolarHBondContact O-CA 3.49Å; I204-Y211 HydrophobicContact CB-CD1 4.44Å; I204-Y211 HydrophobicContact CB-CE1 4.4Å; I204-Y211 HydrophobicContact CG1-CD1 4.02Å; I204-Y211 HydrophobicContact CG1-CE1 4.07Å; I204-Y211 HydrophobicContact CG2-CD1 4.29Å; I204-Y211 HydrophobicContact CG2-CE1 3.84Å; G208-Y211 VanDerWaalsContact CA-CZ 3.45Å; G208-Y211 WeakPolarHBondContact CA-OH 3.49Å; G208-Y211 WeakPolarHBondContact O-CE2 3.25Å; G208-Y211 PolarHBondContact O-OH 3.43Å; Y211-M229 HydrophobicContact CD1-CG 3.88Å; Y211-M229 HydrophobicContact CD2-CG 4.36Å; Y211-M229 HydrophobicContact CE1-CB 4.41Å; Y211-M229 HydrophobicContact CE1-CG 4.08Å; Y211-M229 HydrophobicContact CG-CG 4.02Å; Y211-M229 PolarHBondContact OH-O 2.87Å
212L97.6Very high93.1Very high42 Ų4254.3 Ų54.322%0.2227%0.267CS..EExtended strand (participates in β ladder)trans-132.7125.7164-179.4164.5000106.7Y201 I202 K203 F205 N214Y201-L212 HydrophobicContact CD2-CD2 4.3Å; Y201-L212 HydrophobicContact CE2-CD2 3.5Å; I202-L212 CarbonylContact C-O 3.19Å; I202-L212 VanDerWaalsContact CA-O 3.27Å; I202-L212 WeakPolarHBondContact CA-O 3.47Å; K203-L212 HydrophobicContact CB-CB 4.31Å; K203-L212 PolarHBondContact N-O 3.33Å; K203-L212 PolarHBondContact O-N 2.72Å; F205-L212 HydrophobicContact CE2-CB 3.99Å; L212-N214 HydrophobicContact CD2-CB 4.46Å
213A97.8Very high92.8Very high57 Ų5754.6 Ų54.647%0.47127%0.269SS..EExtended strand (participates in β ladder)trans-119.2132178.600000109.1Y201 I216 V225Y201-A213 CarbonylContact O-C 3.59Å; Y201-A213 WeakPolarHBondContact O-CA 3.2Å; A213-I216 HydrophobicContact CB-CG1 3.89Å; A213-V225 HydrophobicContact CB-CG1 4.47Å
214N98.3Very high92.7Very high37 Ų3754.2 Ų54.220%0.19827%0.267CS..EExtended strand (participates in β ladder)trans-125.5132.3-179.9-175.160.6000110K197 W199 S200 Y201 L212 I216K197-N214 PolarHBondContact O-ND2 3.44Å; W199-N214 PolarHBondContact O-ND2 3.44Å; S200-N214 WeakPolarHBondContact CA-O 3.25Å; Y201-N214 HydrophobicContact CD1-CB 3.76Å; Y201-N214 HydrophobicContact CD2-CB 4.1Å; Y201-N214 HydrophobicContact CE1-CB 3.36Å; Y201-N214 WeakPolarHBondContact CE1-ND2 3.29Å; Y201-N214 HydrophobicContact CE2-CB 3.75Å; Y201-N214 HydrophobicContact CG-CB 4.1Å; Y201-N214 PolarHBondContact N-O 3.3Å; Y201-N214 PolarHBondContact O-N 2.95Å; L212-N214 HydrophobicContact CD2-CB 4.46Å; N214-I216 VanDerWaalsContact C-N 3.32Å; N214-I216 WeakPolarHBondContact O-CD1 3.37Å; N214-I216 PolarHBondContact O-N 3.44Å
215R96.8Very high92.7Very high130 Ų13054.4 Ų54.449%0.49127%0.269SS..  trans46.250.5175.6-67.5-174.9171.3-86.8-1.8114K197 S200 E217K197-R215 VanDerWaalsContact O-CD 3.25Å; K197-R215 WeakPolarHBondContact O-CD 3.25Å; K197-R215 PolarHBondContact O-NE 3.46Å; S200-R215 VanDerWaalsContact CB-O 3.3Å; S200-R215 WeakPolarHBondContact CB-O 3.48Å; S200-R215 PolarHBondContact OG-O 3.45Å; R215-E217 IonicContact NH1-OE1 3.26Å; R215-E217 PolarHBondContact O-N 2.85Å
216I95.9Very high92.7Very high40 Ų4057 Ų5721%0.20528%0.278CS..  trans-8498176-53.7-56.3000107.9I139 A213 N214 N221 V225I139-I216 HydrophobicContact CD1-CD1 3.83Å; I139-I216 HydrophobicContact CG1-CD1 4.49Å; A213-I216 HydrophobicContact CB-CG1 3.89Å; N214-I216 VanDerWaalsContact C-N 3.32Å; N214-I216 WeakPolarHBondContact O-CD1 3.37Å; N214-I216 PolarHBondContact O-N 3.44Å; I216-N221 HydrophobicContact CG2-CB 3.97Å; I216-V225 HydrophobicContact CD1-CG2 3.67Å; I216-V225 HydrophobicContact CG1-CG2 3.89Å; I216-V225 HydrophobicContact CG2-CB 4.26Å; I216-V225 HydrophobicContact CG2-CG2 3.94Å
217E87.9Confident92.9Very high118 Ų11854.9 Ų54.955%0.55127%0.266SS*.  trans-115.7142.9-177.3-65.1174.9-16200109.9R215 N221R215-E217 IonicContact NH1-OE1 3.26Å; R215-E217 PolarHBondContact O-N 2.85Å; E217-N221 WeakPolarHBondContact O-CB 3.5Å; E217-N221 PolarHBondContact O-ND2 3.03Å
218G85.6Confident93.3Very high38 Ų3852.9 Ų52.939%0.39226%0.257SS..SBendtrans86.2159.8-179.600000114.7S222G218-S222 VanDerWaalsContact O-CB 3.3Å; G218-S222 WeakPolarHBondContact O-CB 3.25Å; G218-S222 PolarHBondContact O-N 2.49Å; G218-S222 VanDerWaalsContact O-N 3.13Å; G218-S222 PolarHBondContact O-OG 2.98Å
219N85.1Confident93.6Very high46 Ų4656.2 Ų56.225%0.24627%0.269CS..Hα-helixtrans-63.3-44.4-176.5-174.3-3.7000111.3C20 S222 R223C20-N219 PolarHBondContact SG-ND2 3.45Å; C20-N219 VanDerWaalsContact SG-ND2 3.38Å; N219-S222 PolarHBondContact O-N 2.94Å; N219-R223 VanDerWaalsContact O-CB 3.23Å; N219-R223 WeakPolarHBondContact O-CB 2.84Å; N219-R223 PolarHBondContact O-N 2.95Å
220I89.9Confident93.6Very high2 Ų247.7 Ų47.71%0.0124%0.237CC..Hα-helixtrans-61.3-53.2-177.1-57.8-175.3000111.3W17 E24 I111 S222 R223 I224W17-I220 HydrophobicContact CH2-CB 4.33Å; W17-I220 HydrophobicContact CH2-CD1 3.43Å; W17-I220 VanDerWaalsContact CH2-CD1 3.43Å; W17-I220 HydrophobicContact CH2-CG1 3.4Å; W17-I220 VanDerWaalsContact CH2-CG1 3.4Å; W17-I220 HydrophobicContact CH2-CG2 4.23Å; W17-I220 HydrophobicContact CZ2-CB 4.45Å; W17-I220 HydrophobicContact CZ2-CD1 4.28Å; W17-I220 HydrophobicContact CZ2-CG1 3.73Å; W17-I220 HydrophobicContact CZ2-CG2 4.47Å; W17-I220 HydrophobicContact CZ3-CD1 3.85Å; W17-I220 HydrophobicContact CZ3-CG1 4.15Å; E24-I220 HydrophobicContact CB-CD1 4.41Å; I111-I220 HydrophobicContact CD1-CG2 3.51Å; I111-I220 HydrophobicContact CG1-CG2 4.14Å; I220-S222 VanDerWaalsContact C-N 3.33Å; I220-S222 PolarHBondContact O-N 3.3Å; I220-R223 PolarHBondContact O-N 2.94Å; I220-I224 HydrophobicContact CG2-CD1 3.84Å; I220-I224 HydrophobicContact CG2-CG1 4.48Å; I220-I224 VanDerWaalsContact O-CG1 3.32Å; I220-I224 WeakPolarHBondContact O-CG1 3.41Å; I220-I224 PolarHBondContact O-N 3.14Å
221N92.3Very high93.4Very high4 Ų440.4 Ų40.42%0.02121%0.211CC..Hα-helixtrans-65.1-39.4-178.2-62.2-35.9000111.3Q137 I139 I216 E217 R223 I224 V225Q137-N221 PolarHBondContact OE1-ND2 2.87Å; I139-N221 HydrophobicContact CD1-CB 4.21Å; I216-N221 HydrophobicContact CG2-CB 3.97Å; E217-N221 WeakPolarHBondContact O-CB 3.5Å; E217-N221 PolarHBondContact O-ND2 3.03Å; N221-R223 VanDerWaalsContact C-N 3.34Å; N221-R223 PolarHBondContact O-N 3.21Å; N221-I224 PolarHBondContact O-N 3.45Å; N221-V225 WeakPolarHBondContact O-CB 3.49Å; N221-V225 WeakPolarHBondContact O-CG2 3.44Å; N221-V225 PolarHBondContact O-N 3.32Å
222S93Very high92.6Very high55 Ų5542.9 Ų42.939%0.38522%0.219SC..Hα-helixtrans-61.7-42.1174.9-59.10000111.7G218 N219 I220 V225 Y226G218-S222 VanDerWaalsContact O-CB 3.3Å; G218-S222 WeakPolarHBondContact O-CB 3.25Å; G218-S222 PolarHBondContact O-N 2.49Å; G218-S222 VanDerWaalsContact O-N 3.13Å; G218-S222 PolarHBondContact O-OG 2.98Å; N219-S222 PolarHBondContact O-N 2.94Å; I220-S222 VanDerWaalsContact C-N 3.33Å; I220-S222 PolarHBondContact O-N 3.3Å; S222-V225 PolarHBondContact O-N 3.32Å; S222-Y226 VanDerWaalsContact O-CB 3.25Å; S222-Y226 WeakPolarHBondContact O-CB 3.21Å; S222-Y226 PolarHBondContact O-N 2.97Å
223R92.8Very high91.5Very high7 Ų743.2 Ų43.23%0.02622%0.223CC..Hα-helixtrans-66.2-42.8177.3-173.3177.3-65.5-125.56.4112L14 A15 W17 Y48 N219 I220 N221 Y226 Y227 E361L14-R223 VanDerWaalsContact CB-NH2 3.27Å; L14-R223 HydrophobicContact CD1-CB 4.24Å; L14-R223 HydrophobicContact CD1-CG 3.81Å; A15-R223 PolarHBondContact O-NH2 3.18Å; W17-R223 VanDerWaalsContact NE1-CZ 3.28Å; Y48-R223 HydrophobicContact CE1-CG 4Å; Y48-R223 VanDerWaalsContact OH-CD 3.27Å; Y48-R223 WeakPolarHBondContact OH-CD 3.29Å; Y48-R223 WeakPolarHBondContact OH-CG 3.46Å; N219-R223 VanDerWaalsContact O-CB 3.23Å; N219-R223 WeakPolarHBondContact O-CB 2.84Å; N219-R223 PolarHBondContact O-N 2.95Å; I220-R223 PolarHBondContact O-N 2.94Å; N221-R223 VanDerWaalsContact C-N 3.34Å; N221-R223 PolarHBondContact O-N 3.21Å; R223-Y226 PolarHBondContact O-N 3.23Å; R223-Y227 WeakPolarHBondContact O-CB 3.5Å; R223-Y227 PolarHBondContact O-N 3.26Å; R223-E361 IonicContact CZ-OE1 2.79Å; R223-E361 IonicContact CZ-OE2 2.72Å; R223-E361 IonicContact NH1-OE1 3.43Å; R223-E361 PolarHBondContact NH1-OE1 3.26Å; R223-E361 IonicContact NH1-OE2 3.4Å; R223-E361 PolarHBondContact NH1-OE2 2.96Å
224I95.8Very high90.5Very high0 Ų045.3 Ų45.30%023%0.226CC..Hα-helixtrans-57.3-53.2173.6-70164.5000109.8T26 V28 L45 L49 I111 I139 I220 N221 Y226 Y227 L228T26-I224 HydrophobicContact CG2-CD1 4.44Å; V28-I224 HydrophobicContact CG2-CD1 3.77Å; L45-I224 HydrophobicContact CD1-CB 4.4Å; L45-I224 HydrophobicContact CD1-CG1 4.25Å; L45-I224 HydrophobicContact CD1-CG2 4.07Å; L45-I224 HydrophobicContact CD2-CG2 3.91Å; L49-I224 HydrophobicContact CD1-CG1 4.45Å; L49-I224 HydrophobicContact CD2-CG1 4.39Å; I111-I224 HydrophobicContact CD1-CD1 4.4Å; I139-I224 HydrophobicContact CD1-CG2 4.42Å; I139-I224 HydrophobicContact CG2-CD1 4.25Å; I220-I224 HydrophobicContact CG2-CD1 3.84Å; I220-I224 HydrophobicContact CG2-CG1 4.48Å; I220-I224 VanDerWaalsContact O-CG1 3.32Å; I220-I224 WeakPolarHBondContact O-CG1 3.41Å; I220-I224 PolarHBondContact O-N 3.14Å; N221-I224 PolarHBondContact O-N 3.45Å; I224-Y226 PolarHBondContact O-N 3.49Å; I224-Y227 PolarHBondContact O-N 3.26Å; I224-L228 HydrophobicContact CG2-CD1 3.73Å; I224-L228 HydrophobicContact CG2-CG 4.32Å; I224-L228 WeakPolarHBondContact O-CB 3.32Å; I224-L228 WeakPolarHBondContact O-CG 3.12Å; I224-L228 PolarHBondContact O-N 2.95Å
225V96.4Very high89.5Confident13 Ų1350.7 Ų50.78%0.07925%0.248CC..Hα-helixtrans-61.5-45.1-179.3163.20000111.5I139 I202 A213 I216 N221 S222 Y227 L228 M229I139-V225 HydrophobicContact CD1-CG2 3.98Å; I202-V225 HydrophobicContact CB-CG2 4.16Å; I202-V225 HydrophobicContact CD1-CB 4.47Å; I202-V225 HydrophobicContact CD1-CG1 4.05Å; I202-V225 HydrophobicContact CD1-CG2 4.24Å; I202-V225 HydrophobicContact CG2-CG2 4.26Å; A213-V225 HydrophobicContact CB-CG1 4.47Å; I216-V225 HydrophobicContact CD1-CG2 3.67Å; I216-V225 HydrophobicContact CG1-CG2 3.89Å; I216-V225 HydrophobicContact CG2-CB 4.26Å; I216-V225 HydrophobicContact CG2-CG2 3.94Å; N221-V225 WeakPolarHBondContact O-CB 3.49Å; N221-V225 WeakPolarHBondContact O-CG2 3.44Å; N221-V225 PolarHBondContact O-N 3.32Å; S222-V225 PolarHBondContact O-N 3.32Å; V225-Y227 PolarHBondContact O-N 2.72Å; V225-L228 PolarHBondContact O-N 3.07Å; V225-M229 HydrophobicContact CG1-CG 4.41Å; V225-M229 HydrophobicContact CG1-SD 3.74Å; V225-M229 VanDerWaalsContact O-CG 3.25Å; V225-M229 WeakPolarHBondContact O-CG 3.48Å; V225-M229 PolarHBondContact O-N 2.92Å
226Y94.3Very high89.2Confident95 Ų9545.2 Ų45.237%0.37323%0.227SC..Hα-helixtrans-57.8-48176.8179.5-118000111.6L14 S222 R223 I224 L228 M229 N230 M365L14-Y226 HydrophobicContact CD1-CD1 4.04Å; L14-Y226 HydrophobicContact CD1-CE1 4.49Å; S222-Y226 VanDerWaalsContact O-CB 3.25Å; S222-Y226 WeakPolarHBondContact O-CB 3.21Å; S222-Y226 PolarHBondContact O-N 2.97Å; R223-Y226 PolarHBondContact O-N 3.23Å; I224-Y226 PolarHBondContact O-N 3.49Å; Y226-L228 PolarHBondContact O-N 3.3Å; Y226-M229 PolarHBondContact O-N 3.05Å; Y226-N230 VanDerWaalsContact CE2-ND2 3.34Å; Y226-N230 WeakPolarHBondContact CE2-ND2 3.04Å; Y226-N230 PolarHBondContact O-N 3.36Å; Y226-N230 PolarHBondContact O-ND2 3.04Å; Y226-M365 HydrophobicContact CD1-CE 4.42Å; Y226-M365 HydrophobicContact CD1-CG 4.39Å; Y226-M365 HydrophobicContact CD1-SD 3.97Å; Y226-M365 HydrophobicContact CE1-CB 4.38Å; Y226-M365 HydrophobicContact CE1-CE 4.44Å; Y226-M365 HydrophobicContact CE1-CG 3.61Å; Y226-M365 HydrophobicContact CE1-SD 3.77Å
227Y95.6Very high89Confident0 Ų044.9 Ų44.90%023%0.227CC..Hα-helixtrans-61-47.1176.6178.5-102.1000112.2K44 L45 Y48 R223 I224 V225 M229 N230 I231 M365 E368 Y388K44-Y227 HydrophobicContact CB-CE1 4.12Å; K44-Y227 PolarHBondContact O-OH 3.11Å; K44-Y227 VanDerWaalsContact O-OH 3.11Å; L45-Y227 HydrophobicContact CB-CD1 4.44Å; L45-Y227 HydrophobicContact CB-CE1 4.36Å; L45-Y227 HydrophobicContact CD1-CD1 3.75Å; L45-Y227 HydrophobicContact CD1-CE1 4.44Å; Y48-Y227 VanDerWaalsContact CB-CE2 3.41Å; Y48-Y227 VanDerWaalsContact CB-CZ 3.42Å; Y48-Y227 AromaticContact CD1-CD1 3.8Å; Y48-Y227 HydrophobicContact CD1-CD1 3.8Å; Y48-Y227 AromaticContact CD1-CD2 3.47Å; Y48-Y227 HydrophobicContact CD1-CD2 3.47Å; Y48-Y227 VanDerWaalsContact CD1-CD2 3.47Å; Y48-Y227 HydrophobicContact CD1-CE1 4.3Å; Y48-Y227 HydrophobicContact CD1-CE2 4.01Å; Y48-Y227 AromaticContact CD1-CG 3.33Å; Y48-Y227 HydrophobicContact CD1-CG 3.33Å; Y48-Y227 AromaticContact CD2-CD2 3.81Å; Y48-Y227 HydrophobicContact CD2-CD2 3.81Å; Y48-Y227 AromaticContact CD2-CE2 3.97Å; Y48-Y227 HydrophobicContact CD2-CE2 3.97Å; Y48-Y227 AromaticContact CE1-CD2 3.93Å; Y48-Y227 HydrophobicContact CE1-CD2 3.93Å; Y48-Y227 AromaticContact CE1-CG 3.74Å; Y48-Y227 HydrophobicContact CE1-CG 3.74Å; Y48-Y227 HydrophobicContact CE2-CD2 4.26Å; Y48-Y227 HydrophobicContact CG-CD1 4.23Å; Y48-Y227 AromaticContact CG-CD2 3.39Å; Y48-Y227 HydrophobicContact CG-CD2 3.39Å; Y48-Y227 HydrophobicContact CG-CE1 4.34Å; Y48-Y227 AromaticContact CG-CE2 3.5Å; Y48-Y227 HydrophobicContact CG-CE2 3.5Å; Y48-Y227 AromaticContact CG-CG 3.76Å; Y48-Y227 HydrophobicContact CG-CG 3.76Å; Y48-Y227 AromaticContact CG-CZ 3.98Å; R223-Y227 WeakPolarHBondContact O-CB 3.5Å; R223-Y227 PolarHBondContact O-N 3.26Å; I224-Y227 PolarHBondContact O-N 3.26Å; V225-Y227 PolarHBondContact O-N 2.72Å; Y227-M229 PolarHBondContact O-N 2.78Å; Y227-N230 PolarHBondContact O-N 2.74Å; Y227-I231 HydrophobicContact CD1-CG2 4.07Å; Y227-I231 HydrophobicContact CD2-CG2 4.43Å; Y227-I231 HydrophobicContact CE1-CG2 3.51Å; Y227-I231 HydrophobicContact CE2-CG2 3.95Å; Y227-I231 VanDerWaalsContact CZ-CG2 3.46Å; Y227-I231 PolarHBondContact O-N 2.54Å; Y227-M365 HydrophobicContact CD2-CE 3.69Å; Y227-M365 HydrophobicContact CD2-SD 3.88Å; Y227-M365 HydrophobicContact CG-CE 4.47Å; Y227-E368 HydrophobicContact CE2-CG 4.3Å; Y227-Y388 WeakPolarHBondContact CE2-OH 3.36Å; Y227-Y388 PolarHBondContact OH-OH 3.1Å
228L95.6Very high89.4Confident0 Ų039.3 Ų39.30%020%0.201CC..Hα-helixtrans-62.1-28.3-179.8-68.5176.7000113.5I41 L45 V141 I202 I204 I224 V225 Y226 N230 I231I41-L228 HydrophobicContact CG2-CD2 3.57Å; L45-L228 HydrophobicContact CB-CD2 4.44Å; V141-L228 HydrophobicContact CB-CD1 4.43Å; V141-L228 HydrophobicContact CG1-CD1 3.79Å; V141-L228 HydrophobicContact CG2-CD1 3.69Å; I202-L228 HydrophobicContact CD1-CB 4.36Å; I202-L228 HydrophobicContact CG2-CD1 3.96Å; I204-L228 HydrophobicContact CD1-CB 4.15Å; I204-L228 HydrophobicContact CD1-CD1 4.47Å; I224-L228 HydrophobicContact CG2-CD1 3.73Å; I224-L228 HydrophobicContact CG2-CG 4.32Å; I224-L228 WeakPolarHBondContact O-CB 3.32Å; I224-L228 WeakPolarHBondContact O-CG 3.12Å; I224-L228 PolarHBondContact O-N 2.95Å; V225-L228 PolarHBondContact O-N 3.07Å; Y226-L228 PolarHBondContact O-N 3.3Å; L228-N230 VanDerWaalsContact C-N 3.29Å; L228-I231 HydrophobicContact CD2-CD1 4.09Å; L228-I231 WeakPolarHBondContact O-CG1 3.49Å
229M93.9Very high90Very high87 Ų8737.7 Ų37.743%0.42918%0.183SC..Hα-helixtrans-76-15.3174.8-70.6174.769.400113.6I202 Y211 V225 Y226 Y227I202-M229 HydrophobicContact CD1-CG 4.23Å; Y211-M229 HydrophobicContact CD1-CG 3.88Å; Y211-M229 HydrophobicContact CD2-CG 4.36Å; Y211-M229 HydrophobicContact CE1-CB 4.41Å; Y211-M229 HydrophobicContact CE1-CG 4.08Å; Y211-M229 HydrophobicContact CG-CG 4.02Å; Y211-M229 PolarHBondContact OH-O 2.87Å; V225-M229 HydrophobicContact CG1-CG 4.41Å; V225-M229 HydrophobicContact CG1-SD 3.74Å; V225-M229 VanDerWaalsContact O-CG 3.25Å; V225-M229 WeakPolarHBondContact O-CG 3.48Å; V225-M229 PolarHBondContact O-N 2.92Å; Y226-M229 PolarHBondContact O-N 3.05Å; Y227-M229 PolarHBondContact O-N 2.78Å
230N91.1Very high90.7Very high6 Ų635.6 Ų35.63%0.03217%0.172CC..Hα-helixtrans-104.5-15.6-176.6-72.1-64.1000113.7Y226 Y227 L228 M365 E368 R369Y226-N230 VanDerWaalsContact CE2-ND2 3.34Å; Y226-N230 WeakPolarHBondContact CE2-ND2 3.04Å; Y226-N230 PolarHBondContact O-N 3.36Å; Y226-N230 PolarHBondContact O-ND2 3.04Å; Y227-N230 PolarHBondContact O-N 2.74Å; L228-N230 VanDerWaalsContact C-N 3.29Å; N230-M365 HydrophobicContact CB-SD 4.4Å; N230-E368 CarbonylContact O-C 3.51Å; N230-R369 HydrophobicContact CB-CG 4.06Å; N230-R369 WeakPolarHBondContact O-CG 3.12Å; N230-R369 WeakPolarHBondContact OD1-CD 3.3Å; N230-R369 PolarHBondContact OD1-NH1 3.44Å
231I89.4Confident91.1Very high12 Ų1235.5 Ų35.56%0.06217%0.172CC..  trans-72.7133178.761.6172.7000112.1Y40 I41 Y227 L228 E368Y40-I231 HydrophobicContact CE1-CD1 4.45Å; I41-I231 HydrophobicContact CG1-CD1 4.27Å; Y227-I231 HydrophobicContact CD1-CG2 4.07Å; Y227-I231 HydrophobicContact CD2-CG2 4.43Å; Y227-I231 HydrophobicContact CE1-CG2 3.51Å; Y227-I231 HydrophobicContact CE2-CG2 3.95Å; Y227-I231 VanDerWaalsContact CZ-CG2 3.46Å; Y227-I231 PolarHBondContact O-N 2.54Å; L228-I231 HydrophobicContact CD2-CD1 4.09Å; L228-I231 WeakPolarHBondContact O-CG1 3.49Å; I231-E368 HydrophobicContact CG2-CG 4.42Å
232R79.7Confident91.4Very high111 Ų11135.6 Ų35.642%0.41917%0.172SC..  trans-97.6149.5167.7-71.4-163.1-175.8-104.64.2111.5Y40 E368 R369Y40-R232 PolarHBondContact OH-O 2.68Å; R232-E368 PolarHBondContact N-O 2.69Å; R232-R369 PolarHBondContact NE-O 3.35Å; R232-R369 PolarHBondContact NH2-O 3.4Å
233V75Confident91.7Very high49 Ų4933.2 Ų33.230%0.29716%0.155SC..  trans-98.2-22.8177.2-170.20000112.2Y40 Q207Y40-V233 HydrophobicContact CD1-CG2 4.31Å; Y40-V233 HydrophobicContact CE1-CB 4.43Å; Y40-V233 HydrophobicContact CE1-CG1 4.5Å; Y40-V233 HydrophobicContact CE1-CG2 4.05Å; Q207-V233 HydrophobicContact CB-CB 4.16Å; Q207-V233 HydrophobicContact CB-CG2 3.81Å; Q207-V233 HydrophobicContact CG-CB 4.43Å; Q207-V233 HydrophobicContact CG-CG1 4.45Å; Q207-V233 HydrophobicContact CG-CG2 4.27Å; Q207-V233 VanDerWaalsContact OE1-CB 3.25Å
234N76.6Confident91.9Very high101 Ų10132.9 Ų32.954%0.5415%0.153SC..SBendtrans-66.3145.2-178-61.9-4.5000112.4
235K77.6Confident92.1Very high150 Ų15032.9 Ų32.965%0.65215%0.153SC*.  trans-58.6137170.8-68.3178.3-174.8166.90110.2E157E157-K235 IonicContact OE1-NZ 3.44Å; E157-K235 PolarHBondContact OE1-NZ 2.97Å; E157-K235 WeakPolarHBondContact OE2-CE 3.3Å; E157-K235 IonicContact OE2-NZ 3.75Å; E157-K235 PolarHBondContact OE2-NZ 3.36Å
236R89.2Confident92.1Very high15 Ų1532.4 Ų32.46%0.05715%0.15CC..  trans-159.4163.8-179.959.2170.2173.4-150.4-9.2110.5L367 E368 Q370 P412R236-L367 PolarHBondContact NH1-O 3.05Å; R236-E368 PolarHBondContact NH1-O 3Å; R236-E368 VanDerWaalsContact NH2-C 3.27Å; R236-E368 PolarHBondContact NH2-O 3Å; R236-E368 IonicContact NH2-OE2 3.82Å; R236-E368 PolarHBondContact NH2-OE2 3.38Å; R236-Q370 WeakPolarHBondContact CD-O 3.32Å; R236-Q370 PolarHBondContact NH1-O 3.05Å; R236-P412 WeakPolarHBondContact O-CD 3.29Å
237T92.8Very high92.2Very high33 Ų3330.6 Ų30.620%0.20215%0.147CC..EExtended strand (participates in β ladder)trans-124.2127.3174.4-52.10000109.5Y239 K409 L410T237-Y239 HydrophobicContact CG2-CD2 4.21Å; T237-Y239 HydrophobicContact CG2-CE1 4.26Å; T237-Y239 HydrophobicContact CG2-CE2 3.62Å; T237-K409 HydrophobicContact CG2-CB 4.01Å; T237-L410 CarbonylContact C-O 3.58Å; T237-L410 WeakPolarHBondContact CA-O 3.44Å
238I95.9Very high92.3Very high1 Ų132.4 Ų32.41%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-103.3129.4171.6-66165.4000106.8L367 V373 F389 L410I238-L367 HydrophobicContact CD1-CB 4.28Å; I238-L367 HydrophobicContact CD1-CD2 4.39Å; I238-L367 HydrophobicContact CG2-CD2 3.93Å; I238-V373 HydrophobicContact CB-CG1 4.35Å; I238-V373 HydrophobicContact CG1-CG1 3.98Å; I238-V373 HydrophobicContact CG2-CG1 4.04Å; I238-F389 HydrophobicContact CD1-CE1 3.77Å; I238-F389 HydrophobicContact CD1-CE2 4.43Å; I238-F389 HydrophobicContact CD1-CZ 3.49Å; I238-F389 VanDerWaalsContact CD1-CZ 3.49Å; I238-L410 HydrophobicContact CB-CB 4.21Å; I238-L410 HydrophobicContact CG2-CD1 4.34Å; I238-L410 PolarHBondContact N-O 2.94Å; I238-L410 WeakPolarHBondContact O-CB 3.38Å; I238-L410 PolarHBondContact O-N 2.62Å
239Y98.5Very high92.3Very high4 Ų433.5 Ų33.52%0.01616%0.163CC..EExtended strand (participates in β ladder)trans-100.7131.6176.9-59.7-103.8000108.3T237 F274 M275 E278 L280 V373 L374 V375 V407 F408 K409T237-Y239 HydrophobicContact CG2-CD2 4.21Å; T237-Y239 HydrophobicContact CG2-CE1 4.26Å; T237-Y239 HydrophobicContact CG2-CE2 3.62Å; Y239-F274 HydrophobicContact CD1-CE1 4.05Å; Y239-F274 HydrophobicContact CE1-CE1 4.11Å; Y239-F274 HydrophobicContact CE1-CZ 4.33Å; Y239-M275 HydrophobicContact CD1-CE 4.03Å; Y239-M275 HydrophobicContact CD1-SD 3.97Å; Y239-M275 HydrophobicContact CD2-CE 4.05Å; Y239-M275 HydrophobicContact CE1-CE 4.35Å; Y239-M275 HydrophobicContact CE1-SD 4.5Å; Y239-M275 HydrophobicContact CE2-CE 4.43Å; Y239-M275 HydrophobicContact CG-CE 3.87Å; Y239-M275 HydrophobicContact CG-SD 4.21Å; Y239-E278 HydrophobicContact CE1-CB 4.48Å; Y239-E278 HydrophobicContact CE1-CG 3.75Å; Y239-E278 PolarHBondContact OH-OE2 3.49Å; Y239-L280 HydrophobicContact CD2-CD1 3.95Å; Y239-L280 HydrophobicContact CE2-CD1 3.35Å; Y239-L280 HydrophobicContact CE2-CD2 4.22Å; Y239-L280 HydrophobicContact CE2-CG 4.38Å; Y239-V373 PolarHBondContact N-O 3.29Å; Y239-L374 CarbonylContact O-C 3.6Å; Y239-L374 WeakPolarHBondContact O-CA 3.41Å; Y239-V375 PolarHBondContact O-N 3.49Å; Y239-V407 HydrophobicContact CD1-CG1 4.15Å; Y239-F408 WeakPolarHBondContact CA-O 3.37Å; Y239-K409 HydrophobicContact CD1-CG 3.99Å; Y239-K409 HydrophobicContact CE1-CD 4.13Å; Y239-K409 HydrophobicContact CE1-CG 3.84Å
240L98.7Very high92.4Very high3 Ų332.2 Ų32.22%0.01616%0.157CC..EExtended strand (participates in β ladder)trans-130.4135179.717567.4000109.2V375 C377 A382 L385 L386 F408 L410L240-V375 WeakPolarHBondContact CA-O 3.2Å; L240-V375 HydrophobicContact CD1-CB 3.86Å; L240-V375 HydrophobicContact CD1-CG1 3.92Å; L240-C377 VanDerWaalsContact CD1-SG 3.55Å; L240-A382 HydrophobicContact CD1-CB 4.48Å; L240-A382 HydrophobicContact CD2-CB 4.24Å; L240-A382 HydrophobicContact CG-CB 4.46Å; L240-L385 HydrophobicContact CD1-CD1 3.74Å; L240-L385 HydrophobicContact CD2-CB 4.01Å; L240-L386 HydrophobicContact CD2-CD1 4.46Å; L240-L386 HydrophobicContact CD2-CD2 3.95Å; L240-L386 HydrophobicContact CD2-CG 3.73Å; L240-F408 HydrophobicContact CB-CB 4.25Å; L240-F408 PolarHBondContact N-O 3.42Å; L240-F408 PolarHBondContact O-N 2.92Å; L240-L410 HydrophobicContact CB-CD1 4.2Å; L240-L410 HydrophobicContact CD2-CD1 4.3Å
241T98.8Very high92.5Very high0 Ų037.4 Ų37.40%018%0.181CC..EExtended strand (participates in β ladder)trans-152.1163.2171.5-167.70000112Y267 L271 L374 V375 I376 C377 T406T241-Y267 PolarHBondContact OG1-OH 2.88Å; T241-L271 HydrophobicContact CG2-CD1 4.48Å; T241-L271 HydrophobicContact CG2-CD2 3.98Å; T241-L374 HydrophobicContact CG2-CD1 4.19Å; T241-V375 PolarHBondContact N-O 3.06Å; T241-I376 HydrophobicContact CG2-CB 4.45Å; T241-I376 HydrophobicContact CG2-CG1 4.13Å; T241-I376 HydrophobicContact CG2-CG2 4.26Å; T241-I376 WeakPolarHBondContact O-CA 3.32Å; T241-C377 PolarHBondContact O-N 3.19Å; T241-T406 PolarHBondContact OG1-O 3.34Å
242R98.4Very high92.7Very high6 Ų638.1 Ų38.12%0.02319%0.191CC..EExtended strand (participates in β ladder)trans-78.5160.3164.9-67.7171.861.7175.70.6108.8C377 V402 L404 T431R242-C377 CarbonylContact C-O 3.6Å; R242-C377 VanDerWaalsContact CA-O 3.3Å; R242-C377 WeakPolarHBondContact CA-O 3.48Å; R242-V402 WeakPolarHBondContact CD-O 3.32Å; R242-V402 HydrophobicContact CG-CG1 3.76Å; R242-V402 PolarHBondContact NH1-O 3.2Å; R242-L404 HydrophobicContact CB-CD2 4.3Å; R242-T431 PolarHBondContact NH1-OG1 3.05Å; R242-T431 PolarHBondContact NH2-OG1 3.23Å; R242-T431 VanDerWaalsContact NH2-OG1 3.13Å
243H98.7Very high93.5Very high4 Ų436.8 Ų36.82%0.01919%0.186CC..PPolyproline II helixtrans-52.21611595581.4000111.9R292 T293 T296 C377 H378 L404H243-R292 HydrophobicContact CB-CB 3.96Å; H243-R292 HydrophobicContact CB-CG 3.95Å; H243-R292 WeakPolarHBondContact CB-O 3.44Å; H243-R292 PolarHBondContact CD2-NE 3.17Å; H243-R292 VanDerWaalsContact CE1-CD 3.43Å; H243-R292 WeakPolarHBondContact CE1-CD 3.19Å; H243-R292 WeakPolarHBondContact NE2-CD 3.31Å; H243-R292 PolarHBondContact NE2-NE 2.73Å; H243-T293 HydrophobicContact CB-CG2 3.94Å; H243-T296 WeakPolarHBondContact CA-OG1 3.24Å; H243-T296 WeakPolarHBondContact CB-OG1 3.27Å; H243-C377 PolarHBondContact CD2-O 3.36Å; H243-C377 PolarHBondContact N-O 3.42Å; H243-H378 AromaticContact CD2-CE1 3.64Å; H243-H378 AromaticContact CD2-CG 3.94Å; H243-H378 AromaticContact CD2-ND1 2.99Å; H243-H378 PolarHBondContact CD2-ND1 2.88Å; H243-H378 AromaticContact NE2-ND1 3.15Å; H243-H378 PolarHBondContact NE2-ND1 2.8Å; H243-H378 VanDerWaalsContact NE2-ND1 3.15Å; H243-L404 WeakPolarHBondContact O-CD2 3.33Å
244G98.6Very high94.4Very high0 Ų035.8 Ų35.80%018%0.179CC..PPolyproline II helixtrans-58.2162.3167.100000112.5T246 L260 T296G244-T246 PolarHBondContact O-N 3.21Å; G244-L260 WeakPolarHBondContact O-CD2 3.27Å; G244-T296 PolarHBondContact N-OG1 3.36Å
245E98.5Very high95.2Very high0 Ų031.8 Ų31.80%016%0.161CC..PPolyproline II helixtrans-52.6138.9173.8-175.7-175.58300111.1N249 I250 L260 S261 R263 G264 L404 H405 A428 V429E245-N249 HydrophobicContact CG-CB 4.19Å; E245-I250 HydrophobicContact CG-CG1 4.19Å; E245-L260 WeakPolarHBondContact O-CA 3.44Å; E245-S261 PolarHBondContact O-N 3.49Å; E245-S261 PolarHBondContact O-OG 2.86Å; E245-S261 PolarHBondContact OE1-OG 3.34Å; E245-R263 IonicContact OE1-CZ 3.6Å; E245-R263 IonicContact OE1-NE 2.74Å; E245-R263 PolarHBondContact OE1-NE 3.25Å; E245-R263 IonicContact OE1-NH2 2.72Å; E245-R263 PolarHBondContact OE1-NH2 2.64Å; E245-R263 IonicContact OE2-CZ 3.7Å; E245-R263 IonicContact OE2-NE 3.8Å; E245-R263 PolarHBondContact OE2-NE 2.99Å; E245-R263 IonicContact OE2-NH2 2.8Å; E245-R263 PolarHBondContact OE2-NH2 3Å; E245-G264 WeakPolarHBondContact O-CA 3.45Å; E245-L404 HydrophobicContact CB-CD1 4.15Å; E245-L404 HydrophobicContact CG-CD1 4.26Å; E245-H405 WeakPolarHBondContact CB-NE2 3.39Å; E245-H405 PolarHBondContact N-NE2 2.79Å; E245-A428 VanDerWaalsContact OE2-CA 3.24Å; E245-A428 WeakPolarHBondContact OE2-CA 3.18Å; E245-V429 HydrophobicContact CG-CG2 4.41Å; E245-V429 PolarHBondContact OE2-N 2.94Å
246T98.3Very high96Very high3 Ų325.4 Ų25.42%0.01814%0.138CC..BIsolated β-bridgetrans-114.2164.3177.660.90000111.7G244 L248 N249 I250 K259 L260 R292G244-T246 PolarHBondContact O-N 3.21Å; T246-L248 PolarHBondContact O-N 3.38Å; T246-N249 PolarHBondContact N-OD1 2.87Å; T246-N249 VanDerWaalsContact N-OD1 3.09Å; T246-N249 WeakPolarHBondContact O-CB 3.41Å; T246-N249 PolarHBondContact O-N 3.41Å; T246-N249 PolarHBondContact OG1-N 3.32Å; T246-N249 PolarHBondContact OG1-OD1 2.89Å; T246-I250 PolarHBondContact O-N 2.94Å; T246-K259 VanDerWaalsContact CA-O 3.23Å; T246-K259 WeakPolarHBondContact CA-O 3.43Å; T246-K259 WeakPolarHBondContact CB-O 3.21Å; T246-K259 WeakPolarHBondContact CG2-O 3.48Å; T246-L260 HydrophobicContact CG2-CD2 4.2Å; T246-R292 HydrophobicContact CG2-CB 3.53Å; T246-R292 HydrophobicContact CG2-CG 4.19Å
247D96.1Very high96.3Very high57 Ų5727.6 Ų27.631%0.30515%0.151SC..Hα-helixtrans-54.9-38.3171.2-64-21.9000111.3N249 I250 H251 K259D247-N249 VanDerWaalsContact C-N 3.34Å; D247-N249 PolarHBondContact O-N 3.02Å; D247-I250 PolarHBondContact O-N 2.84Å; D247-H251 PolarHBondContact O-N 2.88Å; D247-H251 PolarHBondContact O-ND1 2.96Å; D247-K259 PolarHBondContact N-O 2.98Å; D247-K259 WeakPolarHBondContact OD2-CE 3.44Å; D247-K259 WeakPolarHBondContact OD2-CG 3.22Å
248L96.1Very high96.3Very high39 Ų3926.6 Ų26.620%0.20415%0.147CC..Hα-helixtrans-66.1-35177.1-65.1178.8000112.7T246 I250 H251 G252 R253T246-L248 PolarHBondContact O-N 3.38Å; L248-I250 VanDerWaalsContact C-N 3.35Å; L248-H251 CarbonylContact O-C 3.55Å; L248-H251 PolarHBondContact O-N 3.37Å; L248-G252 PolarHBondContact O-N 2.8Å; L248-R253 HydrophobicContact CB-CB 4.32Å; L248-R253 HydrophobicContact CD2-CB 4.23Å; L248-R253 PolarHBondContact O-N 3.46Å
249N96Very high96.4Very high23 Ų2332.3 Ų32.312%0.12317%0.172CC..Hα-helixtrans-66.2-39.6176.3-60.4135.3000111.6E245 T246 D247 H251 G252 L404 V429E245-N249 HydrophobicContact CG-CB 4.19Å; T246-N249 PolarHBondContact N-OD1 2.87Å; T246-N249 VanDerWaalsContact N-OD1 3.09Å; T246-N249 WeakPolarHBondContact O-CB 3.41Å; T246-N249 PolarHBondContact O-N 3.41Å; T246-N249 PolarHBondContact OG1-N 3.32Å; T246-N249 PolarHBondContact OG1-OD1 2.89Å; D247-N249 VanDerWaalsContact C-N 3.34Å; D247-N249 PolarHBondContact O-N 3.02Å; N249-H251 PolarHBondContact O-N 3.03Å; N249-G252 PolarHBondContact O-N 3.49Å; N249-G252 VanDerWaalsContact O-N 3.11Å; N249-L404 HydrophobicContact CB-CD1 4.41Å; N249-V429 HydrophobicContact CB-CG2 3.93Å
250I95.5Very high96.4Very high60 Ų6032.5 Ų32.531%0.30817%0.173SC..Hα-helixtrans-58.2-39.5176.5-65.6171.9000110.6E245 T246 D247 L248 G252E245-I250 HydrophobicContact CG-CG1 4.19Å; T246-I250 PolarHBondContact O-N 2.94Å; D247-I250 PolarHBondContact O-N 2.84Å; L248-I250 VanDerWaalsContact C-N 3.35Å; I250-G252 VanDerWaalsContact C-N 3.32Å; I250-G252 PolarHBondContact O-N 3.22Å
251H94.3Very high96.4Very high115 Ų11532.7 Ų32.753%0.53218%0.175SC..THydrogen-bonded Turntrans-89.414.2179.6-58.991.3000114D247 L248 N249 R253 T323D247-H251 PolarHBondContact O-N 2.88Å; D247-H251 PolarHBondContact O-ND1 2.96Å; L248-H251 CarbonylContact O-C 3.55Å; L248-H251 PolarHBondContact O-N 3.37Å; N249-H251 PolarHBondContact O-N 3.03Å; H251-R253 HydrophobicContact CB-CG 4.37Å; H251-R253 PolarHBondContact O-N 2.84Å; H251-T323 WeakPolarHBondContact O-CG2 3.46Å
252G93.6Very high96.3Very high27 Ų2741 Ų4128%0.27821%0.214SC..THydrogen-bonded Turntrans65.712.3177.600000115.7L248 N249 I250L248-G252 PolarHBondContact O-N 2.8Å; N249-G252 PolarHBondContact O-N 3.49Å; N249-G252 VanDerWaalsContact O-N 3.11Å; I250-G252 VanDerWaalsContact C-N 3.32Å; I250-G252 PolarHBondContact O-N 3.22Å
253R95.7Very high96.3Very high82 Ų8245.1 Ų45.131%0.30923%0.229SC..  trans-84.2134.7-175.5-68.3180177.7-70.2-11.1111.6L248 H251 G321 M322 T323 E326L248-R253 HydrophobicContact CB-CB 4.32Å; L248-R253 HydrophobicContact CD2-CB 4.23Å; L248-R253 PolarHBondContact O-N 3.46Å; H251-R253 HydrophobicContact CB-CG 4.37Å; H251-R253 PolarHBondContact O-N 2.84Å; R253-G321 VanDerWaalsContact CD-O 3.24Å; R253-G321 WeakPolarHBondContact CD-O 3.31Å; R253-G321 WeakPolarHBondContact CG-O 3.4Å; R253-G321 PolarHBondContact NH1-O 3.33Å; R253-M322 WeakPolarHBondContact CA-O 3.45Å; R253-T323 HydrophobicContact CG-CG2 3.83Å; R253-E326 IonicContact CZ-OE1 2.97Å; R253-E326 IonicContact CZ-OE2 3.12Å; R253-E326 IonicContact NH1-OE1 3.83Å; R253-E326 PolarHBondContact NH1-OE1 2.78Å; R253-E326 IonicContact NH1-OE2 2.67Å; R253-E326 PolarHBondContact NH1-OE2 3.31Å; R253-E326 IonicContact NH2-OE1 3.01Å; R253-E326 PolarHBondContact NH2-OE1 2.82Å; R253-E326 IonicContact NH2-OE2 3.83Å
254I94.5Very high96.3Very high28 Ų2844.9 Ų44.914%0.14423%0.228CC..  trans-87.6155.7173.970.1170.6000110.9A316 C319 G321 M322 Y324 I327 Y347I254-A316 HydrophobicContact CD1-CB 3.76Å; I254-A316 HydrophobicContact CG1-CB 4.28Å; I254-C319 HydrophobicContact CD1-CB 4.39Å; I254-G321 VanDerWaalsContact O-CA 3.22Å; I254-G321 WeakPolarHBondContact O-CA 3.34Å; I254-G321 PolarHBondContact O-N 2.85Å; I254-M322 WeakPolarHBondContact CG1-O 3.46Å; I254-M322 PolarHBondContact N-O 2.96Å; I254-Y324 HydrophobicContact CG2-CE1 4.44Å; I254-Y324 HydrophobicContact CG2-CE2 4.26Å; I254-I327 HydrophobicContact CD1-CD1 3.53Å; I254-I327 HydrophobicContact CG1-CD1 4.2Å; I254-Y347 HydrophobicContact CD1-CE1 4.45Å
255G94.2Very high96.4Very high17 Ų1747.3 Ų47.318%0.17524%0.239CC..SBendtrans71.5-149.7174.800000114.2D320G255-D320 WeakPolarHBondContact CA-OD2 3.45Å
256G94.3Very high96.4Very high16 Ų1651.2 Ų51.217%0.16526%0.26CS..SBendtrans66.1179.8179.300000115.6R292 D320G256-R292 PolarHBondContact O-NH1 2.88Å; G256-D320 WeakPolarHBondContact CA-OD1 3.26Å; G256-D320 VanDerWaalsContact N-CG 3.33Å; G256-D320 PolarHBondContact N-OD1 2.6Å; G256-D320 PolarHBondContact N-OD2 3.46Å
257D95Very high96.4Very high61 Ų6151.1 Ų51.133%0.32626%0.259SS..  trans-122.255.1177.7-17538000111.8F290 K291D257-F290 HydrophobicContact CB-CD1 4.15Å; D257-F290 WeakPolarHBondContact OD1-CA 3.38Å; D257-F290 WeakPolarHBondContact OD1-CB 3.41Å; D257-K291 PolarHBondContact OD1-N 3.38Å; D257-K291 VanDerWaalsContact OD2-CD 3.22Å; D257-K291 WeakPolarHBondContact OD2-CD 3.28Å; D257-K291 WeakPolarHBondContact OD2-CE 3.46Å; D257-K291 WeakPolarHBondContact OD2-CG 3.43Å; D257-K291 IonicContact OD2-NZ 3.17Å; D257-K291 PolarHBondContact OD2-NZ 3.25Å; D257-K291 VanDerWaalsContact OD2-NZ 3.17Å
258G93.3Very high96.5Very high12 Ų1248.4 Ų48.412%0.12425%0.245CC..PPolyproline II helixtrans-68.9149.1177.200000113.4
259K97.2Very high96.6Very high122 Ų12252.1 Ų52.153%0.5326%0.259SS..PPolyproline II helixtrans-78.1163.5171.965176.4-176176.50111.6T246 D247T246-K259 VanDerWaalsContact CA-O 3.23Å; T246-K259 WeakPolarHBondContact CA-O 3.43Å; T246-K259 WeakPolarHBondContact CB-O 3.21Å; T246-K259 WeakPolarHBondContact CG2-O 3.48Å; D247-K259 PolarHBondContact N-O 2.98Å; D247-K259 WeakPolarHBondContact OD2-CE 3.44Å; D247-K259 WeakPolarHBondContact OD2-CG 3.22Å
260L98.6Very high96.8Very high8 Ų854.8 Ų54.84%0.04227%0.27CS..BIsolated β-bridgetrans-61.2143.6171-63-174.6000112G244 E245 T246 E265 A268 R292 Q295G244-L260 WeakPolarHBondContact O-CD2 3.27Å; E245-L260 WeakPolarHBondContact O-CA 3.44Å; T246-L260 HydrophobicContact CG2-CD2 4.2Å; L260-E265 HydrophobicContact CB-CG 4.02Å; L260-A268 HydrophobicContact CD1-CB 4.29Å; L260-R292 HydrophobicContact CD2-CB 4.03Å; L260-Q295 HydrophobicContact CD1-CB 3.59Å; L260-Q295 HydrophobicContact CG-CB 3.83Å
261S98.3Very high96.9Very high7 Ų752 Ų525%0.04926%0.255CS..PPolyproline II helixtrans-77.8173.7165.6760000110.2E245 R263 G264 E265E245-S261 PolarHBondContact O-N 3.49Å; E245-S261 PolarHBondContact O-OG 2.86Å; E245-S261 PolarHBondContact OE1-OG 3.34Å; S261-R263 PolarHBondContact O-N 3.47Å; S261-R263 PolarHBondContact OG-N 3.22Å; S261-G264 CarbonylContact O-C 3.6Å; S261-G264 WeakPolarHBondContact O-CA 3.16Å; S261-G264 PolarHBondContact O-N 2.93Å; S261-G264 PolarHBondContact OG-N 2.8Å; S261-E265 WeakPolarHBondContact O-CG 3.31Å; S261-E265 PolarHBondContact O-N 2.8Å
262E98.3Very high97.1Very high175 Ų17547 Ų4782%0.81824%0.235SC*.Hα-helixtrans-56.6-39173.7-172-178.417900112.3E265 L266E262-E265 PolarHBondContact O-N 3.41Å; E262-L266 PolarHBondContact O-N 2.89Å
263R98.5Very high97.4Very high91 Ų9147.9 Ų47.934%0.34324%0.239SC..Hα-helixtrans-69-35.9175-63-174.4-65.3-162-5111.4E245 S261 L266 Y267 H405 V426 P427E245-R263 IonicContact OE1-CZ 3.6Å; E245-R263 IonicContact OE1-NE 2.74Å; E245-R263 PolarHBondContact OE1-NE 3.25Å; E245-R263 IonicContact OE1-NH2 2.72Å; E245-R263 PolarHBondContact OE1-NH2 2.64Å; E245-R263 IonicContact OE2-CZ 3.7Å; E245-R263 IonicContact OE2-NE 3.8Å; E245-R263 PolarHBondContact OE2-NE 2.99Å; E245-R263 IonicContact OE2-NH2 2.8Å; E245-R263 PolarHBondContact OE2-NH2 3Å; S261-R263 PolarHBondContact O-N 3.47Å; S261-R263 PolarHBondContact OG-N 3.22Å; R263-L266 PolarHBondContact O-N 2.96Å; R263-Y267 PolarHBondContact O-N 3.27Å; R263-H405 PolarHBondContact O-CE1 3.22Å; R263-V426 HydrophobicContact CB-CG1 4.22Å; R263-V426 WeakPolarHBondContact O-CG1 3.35Å; R263-P427 WeakPolarHBondContact CD-O 3.42Å
264G98.7Very high97.5Very high0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-62.6-43.8172.900000113.1E245 S261 Y267 A268E245-G264 WeakPolarHBondContact O-CA 3.45Å; S261-G264 CarbonylContact O-C 3.6Å; S261-G264 WeakPolarHBondContact O-CA 3.16Å; S261-G264 PolarHBondContact O-N 2.93Å; S261-G264 PolarHBondContact OG-N 2.8Å; G264-Y267 WeakPolarHBondContact O-CB 3.33Å; G264-Y267 PolarHBondContact O-N 3Å; G264-A268 PolarHBondContact O-N 2.88Å
265E98.7Very high97.7Very high50 Ų5044 Ų4423%0.23422%0.223CC..Hα-helixtrans-64.1-41.8175.7-70.6-64.5162.600111.8L260 S261 E262 Y267 A268 K269L260-E265 HydrophobicContact CB-CG 4.02Å; S261-E265 WeakPolarHBondContact O-CG 3.31Å; S261-E265 PolarHBondContact O-N 2.8Å; E262-E265 PolarHBondContact O-N 3.41Å; E265-Y267 VanDerWaalsContact C-N 3.29Å; E265-Y267 PolarHBondContact O-N 3.03Å; E265-A268 WeakPolarHBondContact O-CB 3.48Å; E265-A268 PolarHBondContact O-N 2.86Å; E265-K269 PolarHBondContact O-N 2.91Å; E265-K269 VanDerWaalsContact O-N 3.16Å
266L98.6Very high97.8Very high83 Ų8349.6 Ų49.644%0.43525%0.245SC..Hα-helixtrans-61.7-39.3173.1-179.558.9000111.5E262 R263 K269 K270 V426E262-L266 PolarHBondContact O-N 2.89Å; R263-L266 PolarHBondContact O-N 2.96Å; L266-K269 PolarHBondContact O-N 3.47Å; L266-K270 PolarHBondContact O-N 3.26Å; L266-K270 VanDerWaalsContact O-N 3.11Å; L266-V426 HydrophobicContact CB-CG1 4.26Å; L266-V426 HydrophobicContact CD2-CG1 4.03Å; L266-V426 HydrophobicContact CD2-CG2 4.32Å; L266-V426 HydrophobicContact CG-CG1 4.16Å; L266-V426 HydrophobicContact CG-CG2 4.01Å
267Y98.8Very high98Very high0 Ų055.7 Ų55.70%027%0.269CS..Hα-helixtrans-63.1-44.5173.7172.5-107.1000112.2T241 R263 G264 E265 K269 K270 L271 T296 H405 L424T241-Y267 PolarHBondContact OG1-OH 2.88Å; R263-Y267 PolarHBondContact O-N 3.27Å; G264-Y267 WeakPolarHBondContact O-CB 3.33Å; G264-Y267 PolarHBondContact O-N 3Å; E265-Y267 VanDerWaalsContact C-N 3.29Å; E265-Y267 PolarHBondContact O-N 3.03Å; Y267-K269 VanDerWaalsContact C-N 3.29Å; Y267-K269 PolarHBondContact O-N 3.49Å; Y267-K270 CarbonylContact O-C 3.6Å; Y267-K270 PolarHBondContact O-N 3.48Å; Y267-K270 VanDerWaalsContact O-N 3.13Å; Y267-L271 HydrophobicContact CE1-CB 4.45Å; Y267-L271 HydrophobicContact CE1-CD2 4.14Å; Y267-L271 HydrophobicContact CE2-CB 4.47Å; Y267-L271 WeakPolarHBondContact O-CB 3.33Å; Y267-L271 PolarHBondContact O-N 2.82Å; Y267-T296 HydrophobicContact CD1-CG2 4.13Å; Y267-T296 HydrophobicContact CE1-CG2 3.91Å; Y267-H405 WeakPolarHBondContact CB-CD2 3.44Å; Y267-H405 WeakPolarHBondContact CB-NE2 3.38Å; Y267-H405 AromaticContact CD1-CD2 3.62Å; Y267-H405 VanDerWaalsContact CD2-CA 3.41Å; Y267-H405 HydrophobicContact CD2-CB 3.48Å; Y267-H405 VanDerWaalsContact CD2-CB 3.48Å; Y267-H405 AromaticContact CD2-CD2 3.75Å; Y267-H405 AromaticContact CD2-CG 3.69Å; Y267-H405 VanDerWaalsContact CE2-C 3.4Å; Y267-H405 HydrophobicContact CE2-CB 3.91Å; Y267-H405 HydrophobicContact CG-CB 3.98Å; Y267-H405 AromaticContact CG-CD2 3.25Å; Y267-H405 AromaticContact CG-CG 3.65Å; Y267-H405 AromaticContact CG-NE2 3.93Å; Y267-L424 HydrophobicContact CD2-CB 4.16Å; Y267-L424 HydrophobicContact CD2-CD1 4.12Å; Y267-L424 HydrophobicContact CD2-CG 4.47Å; Y267-L424 HydrophobicContact CE2-CB 4.03Å; Y267-L424 HydrophobicContact CE2-CD1 3.51Å; Y267-L424 HydrophobicContact CE2-CG 3.87Å
268A98.9Very high98Very high0 Ų055 Ų550%026%0.264CS..Hα-helixtrans-55.7-44.1177.600000112L260 G264 E265 L271 A272L260-A268 HydrophobicContact CD1-CB 4.29Å; G264-A268 PolarHBondContact O-N 2.88Å; E265-A268 WeakPolarHBondContact O-CB 3.48Å; E265-A268 PolarHBondContact O-N 2.86Å; A268-L271 PolarHBondContact O-N 2.8Å; A268-A272 PolarHBondContact O-N 2.93Å
269K98.7Very high98Very high118 Ų11863.1 Ų63.151%0.51330%0.296SS..Hα-helixtrans-63.9-43.8175.6-68.5173.1-174.91730112.5E265 L266 Y267 A272 A273 H299E265-K269 PolarHBondContact O-N 2.91Å; E265-K269 VanDerWaalsContact O-N 3.16Å; L266-K269 PolarHBondContact O-N 3.47Å; Y267-K269 VanDerWaalsContact C-N 3.29Å; Y267-K269 PolarHBondContact O-N 3.49Å; K269-A272 PolarHBondContact O-N 3.15Å; K269-A273 PolarHBondContact O-N 2.97Å; K269-A273 VanDerWaalsContact O-N 3.12Å; K269-H299 VanDerWaalsContact CG-CD2 3.4Å; K269-H299 WeakPolarHBondContact CG-CD2 3.26Å
270K98.7Very high97.8Very high79 Ų7959.5 Ų59.534%0.34328%0.282SS..Hα-helixtrans-69-33.6177-72-161.3-172.4-179.20112.8L266 Y267 A273 F274 L424 N425 V426L266-K270 PolarHBondContact O-N 3.26Å; L266-K270 VanDerWaalsContact O-N 3.11Å; Y267-K270 CarbonylContact O-C 3.6Å; Y267-K270 PolarHBondContact O-N 3.48Å; Y267-K270 VanDerWaalsContact O-N 3.13Å; K270-A273 PolarHBondContact O-N 3.44Å; K270-F274 WeakPolarHBondContact O-CB 3.4Å; K270-F274 PolarHBondContact O-N 3.31Å; K270-L424 HydrophobicContact CB-CB 4.27Å; K270-L424 HydrophobicContact CB-CD1 4.32Å; K270-L424 WeakPolarHBondContact CD-O 3.23Å; K270-L424 PolarHBondContact NZ-O 2.86Å; K270-N425 PolarHBondContact NZ-O 3.29Å; K270-V426 HydrophobicContact CD-CG2 3.59Å; K270-V426 HydrophobicContact CG-CG2 4.3Å
271L98.8Very high97.5Very high0 Ų066.8 Ų66.80%032%0.316CS..Hα-helixtrans-62.7-45.6173.8177.662.1000110.6T241 Y267 A268 A273 F274 M275 T296 I300 L374 I376 V407 L424T241-L271 HydrophobicContact CG2-CD1 4.48Å; T241-L271 HydrophobicContact CG2-CD2 3.98Å; Y267-L271 HydrophobicContact CE1-CB 4.45Å; Y267-L271 HydrophobicContact CE1-CD2 4.14Å; Y267-L271 HydrophobicContact CE2-CB 4.47Å; Y267-L271 WeakPolarHBondContact O-CB 3.33Å; Y267-L271 PolarHBondContact O-N 2.82Å; A268-L271 PolarHBondContact O-N 2.8Å; L271-A273 PolarHBondContact O-N 2.94Å; L271-F274 HydrophobicContact CD1-CD1 4.48Å; L271-F274 PolarHBondContact O-N 2.74Å; L271-M275 HydrophobicContact CD1-CG 4.14Å; L271-M275 HydrophobicContact CD1-SD 4.45Å; L271-M275 HydrophobicContact CG-CG 4.47Å; L271-M275 VanDerWaalsContact O-CG 3.3Å; L271-M275 WeakPolarHBondContact O-CG 3.42Å; L271-M275 PolarHBondContact O-N 3.47Å; L271-T296 HydrophobicContact CD2-CG2 3.74Å; L271-I300 HydrophobicContact CD2-CD1 3.84Å; L271-I300 HydrophobicContact CG-CD1 3.95Å; L271-L374 HydrophobicContact CD2-CD2 4.44Å; L271-I376 HydrophobicContact CD2-CD1 4Å; L271-V407 HydrophobicContact CD1-CG2 3.51Å; L271-L424 VanDerWaalsContact CA-CD1 3.45Å; L271-L424 HydrophobicContact CB-CD1 3.98Å; L271-L424 HydrophobicContact CD1-CD1 4.18Å
272A98.6Very high97.2Very high12 Ų1272.2 Ų72.210%0.09934%0.344CS..Hα-helixtrans-58.4-48.2174.700000112.3A268 K269 F274 M275 E276 H299 I300A268-A272 PolarHBondContact O-N 2.93Å; K269-A272 PolarHBondContact O-N 3.15Å; A272-F274 VanDerWaalsContact C-N 3.32Å; A272-F274 PolarHBondContact O-N 2.62Å; A272-M275 PolarHBondContact O-N 2.8Å; A272-E276 PolarHBondContact O-N 3.36Å; A272-H299 HydrophobicContact CB-CB 3.63Å; A272-H299 VanDerWaalsContact CB-O 3.3Å; A272-H299 WeakPolarHBondContact CB-O 3.46Å; A272-I300 HydrophobicContact CB-CG1 4.12Å
273A98.4Very high97.1Very high45 Ų4564.2 Ų64.237%0.37231%0.308SS..Hα-helixtrans-61.3-39.6176.800000112.6K269 K270 L271 Q277K269-A273 PolarHBondContact O-N 2.97Å; K269-A273 VanDerWaalsContact O-N 3.12Å; K270-A273 PolarHBondContact O-N 3.44Å; L271-A273 PolarHBondContact O-N 2.94Å; A273-Q277 WeakPolarHBondContact O-CG 3.44Å; A273-Q277 PolarHBondContact O-N 2.69Å
274F98.5Very high97.1Very high20 Ų2062.6 Ų62.69%0.08830%0.303CS..Hα-helixtrans-62.7-47.4174.5170.2-96.8000111.5Y239 K270 L271 A272 E276 Q277 E278 V407 K409 V422 L424Y239-F274 HydrophobicContact CD1-CE1 4.05Å; Y239-F274 HydrophobicContact CE1-CE1 4.11Å; Y239-F274 HydrophobicContact CE1-CZ 4.33Å; K270-F274 WeakPolarHBondContact O-CB 3.4Å; K270-F274 PolarHBondContact O-N 3.31Å; L271-F274 HydrophobicContact CD1-CD1 4.48Å; L271-F274 PolarHBondContact O-N 2.74Å; A272-F274 VanDerWaalsContact C-N 3.32Å; A272-F274 PolarHBondContact O-N 2.62Å; F274-E276 VanDerWaalsContact C-N 3.3Å; F274-E276 PolarHBondContact O-N 2.65Å; F274-Q277 WeakPolarHBondContact O-CB 3.42Å; F274-Q277 PolarHBondContact O-N 3.05Å; F274-Q277 VanDerWaalsContact O-N 3.14Å; F274-E278 HydrophobicContact CE1-CG 4.04Å; F274-E278 HydrophobicContact CE2-CG 4.49Å; F274-E278 WeakPolarHBondContact CE2-OE1 3.41Å; F274-E278 HydrophobicContact CZ-CG 4.01Å; F274-E278 WeakPolarHBondContact CZ-OE1 3.48Å; F274-E278 PolarHBondContact O-N 3.27Å; F274-V407 HydrophobicContact CD1-CG2 4.25Å; F274-V407 HydrophobicContact CE1-CB 4.23Å; F274-V407 HydrophobicContact CE1-CG1 3.86Å; F274-V407 HydrophobicContact CE1-CG2 4.3Å; F274-K409 HydrophobicContact CZ-CD 4.19Å; F274-K409 HydrophobicContact CZ-CG 4.49Å; F274-V422 HydrophobicContact CD2-CG1 4.31Å; F274-V422 HydrophobicContact CE2-CB 4.37Å; F274-V422 HydrophobicContact CE2-CG1 3.83Å; F274-V422 HydrophobicContact CE2-CG2 4.4Å; F274-V422 HydrophobicContact CZ-CB 4.48Å; F274-V422 HydrophobicContact CZ-CG1 4.4Å; F274-V422 HydrophobicContact CZ-CG2 4.34Å; F274-L424 HydrophobicContact CB-CD1 4.12Å; F274-L424 HydrophobicContact CB-CD2 4.01Å; F274-L424 HydrophobicContact CD2-CD2 3.97Å; F274-L424 HydrophobicContact CG-CD2 3.93Å
275M98.2Very high97Very high7 Ų762.6 Ų62.63%0.03430%0.303CS..Hα-helixtrans-65.9-31.4-179.6-66.7-53.2-54.100113Y239 L271 A272 Q277 E278 L280 L283 I300 L374Y239-M275 HydrophobicContact CD1-CE 4.03Å; Y239-M275 HydrophobicContact CD1-SD 3.97Å; Y239-M275 HydrophobicContact CD2-CE 4.05Å; Y239-M275 HydrophobicContact CE1-CE 4.35Å; Y239-M275 HydrophobicContact CE1-SD 4.5Å; Y239-M275 HydrophobicContact CE2-CE 4.43Å; Y239-M275 HydrophobicContact CG-CE 3.87Å; Y239-M275 HydrophobicContact CG-SD 4.21Å; L271-M275 HydrophobicContact CD1-CG 4.14Å; L271-M275 HydrophobicContact CD1-SD 4.45Å; L271-M275 HydrophobicContact CG-CG 4.47Å; L271-M275 VanDerWaalsContact O-CG 3.3Å; L271-M275 WeakPolarHBondContact O-CG 3.42Å; L271-M275 PolarHBondContact O-N 3.47Å; A272-M275 PolarHBondContact O-N 2.8Å; M275-Q277 VanDerWaalsContact C-N 3.34Å; M275-E278 PolarHBondContact O-N 3.34Å; M275-L280 HydrophobicContact CE-CD1 3.67Å; M275-L283 HydrophobicContact CB-CD2 4.43Å; M275-L283 HydrophobicContact CE-CD1 4.06Å; M275-L283 HydrophobicContact CE-CD2 3.94Å; M275-I300 HydrophobicContact CB-CG2 4.44Å; M275-L374 HydrophobicContact CE-CB 4.23Å; M275-L374 HydrophobicContact CE-CD2 4.49Å; M275-L374 HydrophobicContact CG-CD2 3.95Å; M275-L374 HydrophobicContact SD-CD1 4.29Å; M275-L374 HydrophobicContact SD-CD2 4.16Å
276E97.3Very high97Very high136 Ų13660.4 Ų60.464%0.63629%0.292SS*.Hα-helixtrans-65.3-37.7173.4-172.6173.2-162.100111.8A272 F274 E278 K279A272-E276 PolarHBondContact O-N 3.36Å; F274-E276 VanDerWaalsContact C-N 3.3Å; F274-E276 PolarHBondContact O-N 2.65Å; E276-E278 VanDerWaalsContact C-N 3.27Å; E276-E278 PolarHBondContact O-N 3.24Å; E276-K279 PolarHBondContact O-N 3.03Å
277Q97.2Very high97Very high143 Ų14356.4 Ų56.467%0.66827%0.272SS*.Hα-helixtrans-67.6-26.9176.8-68.7169.610.400113.2A273 F274 M275 K279A273-Q277 WeakPolarHBondContact O-CG 3.44Å; A273-Q277 PolarHBondContact O-N 2.69Å; F274-Q277 WeakPolarHBondContact O-CB 3.42Å; F274-Q277 PolarHBondContact O-N 3.05Å; F274-Q277 VanDerWaalsContact O-N 3.14Å; M275-Q277 VanDerWaalsContact C-N 3.34Å; Q277-K279 PolarHBondContact O-N 2.86Å
278E95.9Very high97Very high47 Ų4756.4 Ų56.422%0.2227%0.272CS..THydrogen-bonded Turntrans-70.9-12.2176.4-64.6-71.2147.400112.7Y239 F274 M275 E276 L280 K409Y239-E278 HydrophobicContact CE1-CB 4.48Å; Y239-E278 HydrophobicContact CE1-CG 3.75Å; Y239-E278 PolarHBondContact OH-OE2 3.49Å; F274-E278 HydrophobicContact CE1-CG 4.04Å; F274-E278 HydrophobicContact CE2-CG 4.49Å; F274-E278 WeakPolarHBondContact CE2-OE1 3.41Å; F274-E278 HydrophobicContact CZ-CG 4.01Å; F274-E278 WeakPolarHBondContact CZ-OE1 3.48Å; F274-E278 PolarHBondContact O-N 3.27Å; M275-E278 PolarHBondContact O-N 3.34Å; E276-E278 VanDerWaalsContact C-N 3.27Å; E276-E278 PolarHBondContact O-N 3.24Å; E278-L280 HydrophobicContact CB-CD1 4.11Å; E278-L280 HydrophobicContact CB-CD2 4.43Å; E278-L280 HydrophobicContact CB-CG 3.87Å; E278-L280 PolarHBondContact O-N 2.96Å; E278-L280 VanDerWaalsContact O-N 3.15Å; E278-K409 IonicContact OE1-NZ 3.55Å; E278-K409 PolarHBondContact OE1-NZ 2.97Å; E278-K409 VanDerWaalsContact OE2-CE 3.31Å; E278-K409 WeakPolarHBondContact OE2-CE 3.41Å; E278-K409 IonicContact OE2-NZ 3.66Å; E278-K409 PolarHBondContact OE2-NZ 3.45Å
279K93.5Very high96.9Very high182 Ų18259.8 Ų59.879%0.79129%0.287SS*.THydrogen-bonded Turntrans49.741.7173.1-63.9177.9-178.5-179.50113.7E276 Q277 E281E276-K279 PolarHBondContact O-N 3.03Å; Q277-K279 PolarHBondContact O-N 2.86Å; K279-E281 PolarHBondContact O-N 2.88Å
280L93Very high96.8Very high47 Ų4756.7 Ų56.725%0.24627%0.274CS..  trans-80121-175.6-60.1172.1000111.2Y239 M275 E278 L283Y239-L280 HydrophobicContact CD2-CD1 3.95Å; Y239-L280 HydrophobicContact CE2-CD1 3.35Å; Y239-L280 HydrophobicContact CE2-CD2 4.22Å; Y239-L280 HydrophobicContact CE2-CG 4.38Å; M275-L280 HydrophobicContact CE-CD1 3.67Å; E278-L280 HydrophobicContact CB-CD1 4.11Å; E278-L280 HydrophobicContact CB-CD2 4.43Å; E278-L280 HydrophobicContact CB-CG 3.87Å; E278-L280 PolarHBondContact O-N 2.96Å; E278-L280 VanDerWaalsContact O-N 3.15Å; L280-L283 HydrophobicContact CB-CB 4.26Å; L280-L283 HydrophobicContact CD1-CD1 3.94Å
281E91.4Very high96.8Very high161 Ų16158.4 Ų58.475%0.75228%0.281SS*.THydrogen-bonded Turntrans-70142.4167.7-64.8-177.4-177.600110.7K279 L283 S372K279-E281 PolarHBondContact O-N 2.88Å; E281-L283 PolarHBondContact O-N 3.03Å; E281-L283 VanDerWaalsContact O-N 3.17Å; E281-S372 WeakPolarHBondContact O-CB 3.45Å; E281-S372 PolarHBondContact O-OG 2.91Å; E281-S372 VanDerWaalsContact O-OG 3.04Å
282N92.6Very high96.8Very high120 Ų12058.8 Ų58.864%0.64228%0.283SS*.THydrogen-bonded Turntrans51.737.3176.9-61.4-39.8000114K284 S303N282-K284 PolarHBondContact O-N 3.07Å; N282-S303 PolarHBondContact O-OG 3.26Å
283L96.5Very high96.8Very high8 Ų858.2 Ų58.24%0.04228%0.278CS..  trans-55.7125.2176.2176.160.6000110.2M275 L280 E281 V285 I300 C302 S303 L374M275-L283 HydrophobicContact CB-CD2 4.43Å; M275-L283 HydrophobicContact CE-CD1 4.06Å; M275-L283 HydrophobicContact CE-CD2 3.94Å; L280-L283 HydrophobicContact CB-CB 4.26Å; L280-L283 HydrophobicContact CD1-CD1 3.94Å; E281-L283 PolarHBondContact O-N 3.03Å; E281-L283 VanDerWaalsContact O-N 3.17Å; L283-V285 HydrophobicContact CG-CG2 4.4Å; L283-I300 HydrophobicContact CD2-CG2 4.15Å; L283-C302 HydrophobicContact CD2-CB 4.48Å; L283-C302 HydrophobicContact CG-CB 4.29Å; L283-C302 WeakPolarHBondContact O-CB 3.17Å; L283-S303 PolarHBondContact O-N 2.72Å; L283-S303 PolarHBondContact O-OG 2.57Å; L283-L374 HydrophobicContact CD1-CB 4.2Å
284K97.3Very high96.8Very high56 Ų5658.8 Ų58.824%0.24327%0.274CS..EExtended strand (participates in β ladder)trans-103.4139.9168.5-60.2-176.8-173.81670109.8N282 Q304 S372 V373 L374N282-K284 PolarHBondContact O-N 3.07Å; K284-Q304 CarbonylContact C-O 3.53Å; K284-Q304 WeakPolarHBondContact CA-O 3.38Å; K284-Q304 HydrophobicContact CG-CB 4.35Å; K284-S372 PolarHBondContact N-O 3.1Å; K284-V373 HydrophobicContact CB-CG2 4.43Å; K284-V373 CarbonylContact O-C 3.57Å; K284-V373 WeakPolarHBondContact O-CA 3.09Å; K284-L374 PolarHBondContact O-N 3.18Å
285V98.5Very high96.8Very high0 Ų060.2 Ų60.20%028%0.281CS..EExtended strand (participates in β ladder)trans-114.4125.6176.3177.10000109L283 T287 A297 I300 C302 Q304 I305 S306 L374 I376L283-V285 HydrophobicContact CG-CG2 4.4Å; V285-T287 HydrophobicContact CG1-CG2 4.14Å; V285-A297 HydrophobicContact CG1-CB 4.03Å; V285-I300 HydrophobicContact CG2-CG2 3.83Å; V285-C302 HydrophobicContact CB-CB 4.37Å; V285-C302 HydrophobicContact CG2-CB 3.54Å; V285-Q304 PolarHBondContact N-O 2.99Å; V285-I305 HydrophobicContact CB-CG1 4.21Å; V285-I305 HydrophobicContact CG1-CD1 4.24Å; V285-I305 HydrophobicContact CG1-CG1 4.2Å; V285-I305 CarbonylContact O-C 3.31Å; V285-I305 VanDerWaalsContact O-CA 3.28Å; V285-I305 WeakPolarHBondContact O-CA 3.35Å; V285-S306 PolarHBondContact O-N 2.92Å; V285-L374 CarbonylContact C-O 3.49Å; V285-L374 WeakPolarHBondContact CA-O 3.36Å; V285-L374 HydrophobicContact CG2-CB 4.38Å; V285-L374 HydrophobicContact CG2-CD2 4.4Å; V285-I376 HydrophobicContact CG1-CD1 4.21Å; V285-I376 HydrophobicContact CG1-CG1 4.49Å
286W98.5Very high96.8Very high4 Ų459.9 Ų59.92%0.01528%0.28CS..EExtended strand (participates in β ladder)trans-112.3133174.2-58.5-13.8000109.8S306 W308 L311 V363 E366 L367 Q370 V373 L374 V375 I376W286-S306 WeakPolarHBondContact CA-O 3.39Å; W286-W308 AromaticContact CD1-NE1 3.78Å; W286-W308 AromaticContact CD2-NE1 3.84Å; W286-W308 AromaticContact CG-NE1 3.67Å; W286-W308 HydrophobicContact CZ2-CZ2 4.46Å; W286-L311 HydrophobicContact CB-CD1 3.87Å; W286-V363 HydrophobicContact CZ3-CG1 4.25Å; W286-E366 HydrophobicContact CH2-CB 3.69Å; W286-E366 HydrophobicContact CH2-CG 3.38Å; W286-E366 HydrophobicContact CZ2-CB 4.4Å; W286-E366 HydrophobicContact CZ2-CG 3.6Å; W286-E366 HydrophobicContact CZ3-CB 4.31Å; W286-E366 HydrophobicContact CZ3-CG 4.36Å; W286-L367 HydrophobicContact CE3-CD2 4.18Å; W286-L367 HydrophobicContact CH2-CD2 3.96Å; W286-L367 HydrophobicContact CH2-CG 4.29Å; W286-L367 HydrophobicContact CZ3-CD2 3.47Å; W286-L367 VanDerWaalsContact CZ3-CD2 3.47Å; W286-L367 HydrophobicContact CZ3-CG 3.72Å; W286-Q370 HydrophobicContact CH2-CG 3.64Å; W286-Q370 HydrophobicContact CZ2-CG 3.46Å; W286-Q370 VanDerWaalsContact CZ2-CG 3.46Å; W286-V373 HydrophobicContact CD2-CG2 3.75Å; W286-V373 HydrophobicContact CE3-CG2 4.15Å; W286-V373 HydrophobicContact CG-CG2 4.16Å; W286-V373 HydrophobicContact CH2-CG2 4.3Å; W286-V373 HydrophobicContact CZ2-CG2 3.98Å; W286-V373 HydrophobicContact CZ3-CG2 4.42Å; W286-L374 PolarHBondContact N-O 2.92Å; W286-V375 HydrophobicContact CE3-CG2 3.89Å; W286-I376 PolarHBondContact O-N 3Å
287T98.6Very high96.9Very high0 Ų053.6 Ų53.60%025%0.251CS..EExtended strand (participates in β ladder)trans-127.8159.817761.80000109.4V285 A297 I305 S306 Y307 W308 I376V285-T287 HydrophobicContact CG1-CG2 4.14Å; T287-A297 HydrophobicContact CG2-CB 3.79Å; T287-I305 HydrophobicContact CG2-CD1 4.42Å; T287-S306 PolarHBondContact N-O 2.88Å; T287-Y307 WeakPolarHBondContact O-CA 3.48Å; T287-Y307 WeakPolarHBondContact OG1-CD1 3.45Å; T287-W308 PolarHBondContact O-N 3.46Å; T287-I376 WeakPolarHBondContact CA-O 3.25Å; T287-I376 HydrophobicContact CG2-CB 4.29Å
288S98Very high96.9Very high0 Ų053 Ų530%025%0.248CC..  trans-72.8-179.516182.70000111.2F290 T293 L311 D312 H378S288-F290 VanDerWaalsContact C-N 3.31Å; S288-F290 PolarHBondContact OG-N 2.86Å; S288-T293 PolarHBondContact O-OG1 2.76Å; S288-T293 PolarHBondContact OG-OG1 2.91Å; S288-L311 VanDerWaalsContact CB-C 3.42Å; S288-L311 WeakPolarHBondContact CB-O 3.39Å; S288-D312 VanDerWaalsContact CB-OD1 3.26Å; S288-D312 WeakPolarHBondContact CB-OD1 3.2Å; S288-H378 VanDerWaalsContact CB-NE2 3.29Å; S288-H378 WeakPolarHBondContact CB-NE2 3.36Å; S288-H378 PolarHBondContact OG-CE1 2.94Å; S288-H378 PolarHBondContact OG-NE2 3.32Å
289H96.4Very high97Very high70 Ų7054.5 Ų54.532%0.32426%0.255SS..SBendtrans-80.7-8.3175-70.5111.8000114.2K309 D312H289-K309 PolarHBondContact CE1-N 3.38Å; H289-K309 VanDerWaalsContact ND1-CA 3.32Å; H289-K309 WeakPolarHBondContact ND1-CA 3.3Å; H289-K309 PolarHBondContact ND1-N 2.93Å; H289-D312 PolarHBondContact N-OD1 3.27Å; H289-D312 IonicContact ND1-OD1 2.75Å; H289-D312 IonicContact ND1-OD2 2.69Å
290F97.9Very high97.2Very high54 Ų5446.4 Ų46.424%0.23722%0.22CC..SBendtrans-75.1145.1-177.5-67.8-35.6000112.7D257 S288 R292 T293 I294 D312 E313 H378D257-F290 HydrophobicContact CB-CD1 4.15Å; D257-F290 WeakPolarHBondContact OD1-CA 3.38Å; D257-F290 WeakPolarHBondContact OD1-CB 3.41Å; S288-F290 VanDerWaalsContact C-N 3.31Å; S288-F290 PolarHBondContact OG-N 2.86Å; F290-R292 VanDerWaalsContact C-N 3.25Å; F290-R292 HydrophobicContact CB-CG 4.27Å; F290-R292 VanDerWaalsContact CD2-NH2 3.27Å; F290-R292 PolarHBondContact O-N 2.64Å; F290-T293 PolarHBondContact O-N 2.95Å; F290-T293 PolarHBondContact O-OG1 3.37Å; F290-I294 WeakPolarHBondContact O-CG1 3.35Å; F290-I294 PolarHBondContact O-N 3.42Å; F290-D312 HydrophobicContact CE2-CB 4.14Å; F290-D312 HydrophobicContact CZ-CB 4.39Å; F290-E313 HydrophobicContact CD2-CB 4.45Å; F290-E313 HydrophobicContact CE2-CB 4.01Å; F290-H378 AromaticContact CD2-CE1 3.58Å; F290-H378 AromaticContact CD2-NE2 3.51Å
291K97.7Very high97.4Very high114 Ų11452 Ų5250%0.49625%0.245SC..Hα-helixtrans-54.2-43.8-174.8-69.5168.7-170.4152.20111.7D257 T293 I294 Q295D257-K291 PolarHBondContact OD1-N 3.38Å; D257-K291 VanDerWaalsContact OD2-CD 3.22Å; D257-K291 WeakPolarHBondContact OD2-CD 3.28Å; D257-K291 WeakPolarHBondContact OD2-CE 3.46Å; D257-K291 WeakPolarHBondContact OD2-CG 3.43Å; D257-K291 IonicContact OD2-NZ 3.17Å; D257-K291 PolarHBondContact OD2-NZ 3.25Å; D257-K291 VanDerWaalsContact OD2-NZ 3.17Å; K291-T293 PolarHBondContact O-N 2.86Å; K291-I294 PolarHBondContact O-N 3.36Å; K291-I294 VanDerWaalsContact O-N 3.17Å; K291-Q295 WeakPolarHBondContact O-CB 3.43Å; K291-Q295 VanDerWaalsContact O-CG 3.27Å; K291-Q295 WeakPolarHBondContact O-CG 3.07Å; K291-Q295 PolarHBondContact O-N 2.92Å
292R98.3Very high97.6Very high9 Ų945.6 Ų45.63%0.03422%0.218CC..Hα-helixtrans-58.1-39.4-177.859.5-167.6-175.1-896.3114.6H243 T246 G256 L260 F290 T296 H378H243-R292 HydrophobicContact CB-CB 3.96Å; H243-R292 HydrophobicContact CB-CG 3.95Å; H243-R292 WeakPolarHBondContact CB-O 3.44Å; H243-R292 PolarHBondContact CD2-NE 3.17Å; H243-R292 VanDerWaalsContact CE1-CD 3.43Å; H243-R292 WeakPolarHBondContact CE1-CD 3.19Å; H243-R292 WeakPolarHBondContact NE2-CD 3.31Å; H243-R292 PolarHBondContact NE2-NE 2.73Å; T246-R292 HydrophobicContact CG2-CB 3.53Å; T246-R292 HydrophobicContact CG2-CG 4.19Å; G256-R292 PolarHBondContact O-NH1 2.88Å; L260-R292 HydrophobicContact CD2-CB 4.03Å; F290-R292 VanDerWaalsContact C-N 3.25Å; F290-R292 HydrophobicContact CB-CG 4.27Å; F290-R292 VanDerWaalsContact CD2-NH2 3.27Å; F290-R292 PolarHBondContact O-N 2.64Å; R292-T296 WeakPolarHBondContact O-CB 3.32Å; R292-T296 PolarHBondContact O-N 3.05Å; R292-T296 PolarHBondContact O-OG1 2.93Å; R292-H378 VanDerWaalsContact CZ-CE1 3.41Å; R292-H378 PolarHBondContact NE-CE1 2.84Å; R292-H378 VanDerWaalsContact NE-CE1 3.3Å; R292-H378 PolarHBondContact NE-ND1 2.65Å; R292-H378 VanDerWaalsContact NE-ND1 3.17Å; R292-H378 PolarHBondContact NH2-CE1 3.49Å; R292-H378 PolarHBondContact NH2-ND1 2.87Å
293T98.6Very high97.8Very high0 Ų042.7 Ų42.70%021%0.207CC..Hα-helixtrans-74.6-37177.547.50000111H243 S288 F290 K291 T296 A297 I376 H378H243-T293 HydrophobicContact CB-CG2 3.94Å; S288-T293 PolarHBondContact O-OG1 2.76Å; S288-T293 PolarHBondContact OG-OG1 2.91Å; F290-T293 PolarHBondContact O-N 2.95Å; F290-T293 PolarHBondContact O-OG1 3.37Å; K291-T293 PolarHBondContact O-N 2.86Å; T293-T296 PolarHBondContact O-N 3.44Å; T293-A297 PolarHBondContact O-N 2.87Å; T293-A297 VanDerWaalsContact O-N 3.14Å; T293-I376 HydrophobicContact CG2-CG2 4.24Å; T293-I376 WeakPolarHBondContact CG2-O 3.44Å; T293-H378 VanDerWaalsContact CG2-CE1 3.42Å; T293-H378 WeakPolarHBondContact CG2-CE1 3.21Å
294I98.5Very high97.7Very high57 Ų5746.1 Ų46.129%0.29222%0.223SC..Hα-helixtrans-66.6-46.5177.6-59.2179.2000110.8F290 K291 T296 A297 E298 Y307F290-I294 WeakPolarHBondContact O-CG1 3.35Å; F290-I294 PolarHBondContact O-N 3.42Å; K291-I294 PolarHBondContact O-N 3.36Å; K291-I294 VanDerWaalsContact O-N 3.17Å; I294-T296 VanDerWaalsContact C-N 3.32Å; I294-T296 PolarHBondContact O-N 3.18Å; I294-A297 WeakPolarHBondContact O-CB 3.28Å; I294-A297 PolarHBondContact O-N 3.17Å; I294-A297 VanDerWaalsContact O-N 3.13Å; I294-E298 PolarHBondContact O-N 2.68Å; I294-Y307 HydrophobicContact CB-CE1 4.49Å; I294-Y307 HydrophobicContact CD1-CD1 3.77Å; I294-Y307 HydrophobicContact CD1-CE1 3.76Å; I294-Y307 HydrophobicContact CG1-CD1 3.89Å; I294-Y307 HydrophobicContact CG1-CE1 3.73Å; I294-Y307 HydrophobicContact CG2-CE1 4.11Å
295Q98.7Very high97.7Very high50 Ų5045.3 Ų45.323%0.23422%0.221CC..Hα-helixtrans-60.5-41.8174-72176.6-44.500111.2L260 K291 A297 E298L260-Q295 HydrophobicContact CD1-CB 3.59Å; L260-Q295 HydrophobicContact CG-CB 3.83Å; K291-Q295 WeakPolarHBondContact O-CB 3.43Å; K291-Q295 VanDerWaalsContact O-CG 3.27Å; K291-Q295 WeakPolarHBondContact O-CG 3.07Å; K291-Q295 PolarHBondContact O-N 2.92Å; Q295-A297 PolarHBondContact O-N 3.19Å; Q295-E298 WeakPolarHBondContact O-CB 3.34Å; Q295-E298 PolarHBondContact O-N 2.9Å
296T98.8Very high97.7Very high0 Ų045.4 Ų45.40%022%0.221CC..Hα-helixtrans-61.9-29.5177.1-570000112.2H243 G244 Y267 L271 R292 T293 I294 I376H243-T296 WeakPolarHBondContact CA-OG1 3.24Å; H243-T296 WeakPolarHBondContact CB-OG1 3.27Å; G244-T296 PolarHBondContact N-OG1 3.36Å; Y267-T296 HydrophobicContact CD1-CG2 4.13Å; Y267-T296 HydrophobicContact CE1-CG2 3.91Å; L271-T296 HydrophobicContact CD2-CG2 3.74Å; R292-T296 WeakPolarHBondContact O-CB 3.32Å; R292-T296 PolarHBondContact O-N 3.05Å; R292-T296 PolarHBondContact O-OG1 2.93Å; T293-T296 PolarHBondContact O-N 3.44Å; I294-T296 VanDerWaalsContact C-N 3.32Å; I294-T296 PolarHBondContact O-N 3.18Å; T296-I376 HydrophobicContact CG2-CD1 4.21Å; T296-I376 HydrophobicContact CG2-CG2 3.82Å
297A98.5Very high97.6Very high4 Ų446.8 Ų46.83%0.03323%0.227CC..THydrogen-bonded Turntrans-82.7-11.3177.200000114.3V285 T287 T293 I294 Q295 H299 I300 I305 I376V285-A297 HydrophobicContact CG1-CB 4.03Å; T287-A297 HydrophobicContact CG2-CB 3.79Å; T293-A297 PolarHBondContact O-N 2.87Å; T293-A297 VanDerWaalsContact O-N 3.14Å; I294-A297 WeakPolarHBondContact O-CB 3.28Å; I294-A297 PolarHBondContact O-N 3.17Å; I294-A297 VanDerWaalsContact O-N 3.13Å; Q295-A297 PolarHBondContact O-N 3.19Å; A297-H299 VanDerWaalsContact C-N 3.25Å; A297-H299 PolarHBondContact O-N 2.93Å; A297-H299 VanDerWaalsContact O-N 3.11Å; A297-I300 WeakPolarHBondContact O-CB 3.49Å; A297-I300 PolarHBondContact O-N 3.15Å; A297-I305 HydrophobicContact CB-CD1 3.81Å; A297-I376 HydrophobicContact CB-CD1 3.76Å
298E98Very high97.5Very high130 Ų13047 Ų4761%0.60723%0.227SC*.THydrogen-bonded Turntrans-56.5-37.3-163.2-177.8171.8178.400113.6I294 Q295I294-E298 PolarHBondContact O-N 2.68Å; Q295-E298 WeakPolarHBondContact O-CB 3.34Å; Q295-E298 PolarHBondContact O-N 2.9Å
299H97.8Very high97.4Very high78 Ų7852.8 Ų52.836%0.36125%0.252SS..THydrogen-bonded Turntrans-92.2-2.7-176.8-58.3-48.8000113.9K269 A272 A297 Q301K269-H299 VanDerWaalsContact CG-CD2 3.4Å; K269-H299 WeakPolarHBondContact CG-CD2 3.26Å; A272-H299 HydrophobicContact CB-CB 3.63Å; A272-H299 VanDerWaalsContact CB-O 3.3Å; A272-H299 WeakPolarHBondContact CB-O 3.46Å; A297-H299 VanDerWaalsContact C-N 3.25Å; A297-H299 PolarHBondContact O-N 2.93Å; A297-H299 VanDerWaalsContact O-N 3.11Å; H299-Q301 PolarHBondContact O-N 3.37Å
300I98.2Very high97.5Very high13 Ų1350.1 Ų50.17%0.06724%0.243CC..  trans-82118-173.1-54.8-176.4000110.3L271 A272 M275 L283 V285 A297 C302 L374 I376L271-I300 HydrophobicContact CD2-CD1 3.84Å; L271-I300 HydrophobicContact CG-CD1 3.95Å; A272-I300 HydrophobicContact CB-CG1 4.12Å; M275-I300 HydrophobicContact CB-CG2 4.44Å; L283-I300 HydrophobicContact CD2-CG2 4.15Å; V285-I300 HydrophobicContact CG2-CG2 3.83Å; A297-I300 WeakPolarHBondContact O-CB 3.49Å; A297-I300 PolarHBondContact O-N 3.15Å; I300-C302 PolarHBondContact O-N 3Å; I300-L374 HydrophobicContact CD1-CD2 3.35Å; I300-I376 HydrophobicContact CD1-CD1 3.73Å
301Q96.2Very high97.5Very high163 Ų16347.5 Ų47.576%0.76223%0.231SC*.  trans-71.7120.1168.8-61.4-163.26.700109.8H299H299-Q301 PolarHBondContact O-N 3.37Å
302C96.3Very high97.5Very high28 Ų2843.2 Ų43.219%0.18921%0.214CC..  trans-144.4162.7-179.159.30000110.3C2 L283 V285 I300C2-C302 PolarHBondContact SG-O 3.17Å; L283-C302 HydrophobicContact CD2-CB 4.48Å; L283-C302 HydrophobicContact CG-CB 4.29Å; L283-C302 WeakPolarHBondContact O-CB 3.17Å; V285-C302 HydrophobicContact CB-CB 4.37Å; V285-C302 HydrophobicContact CG2-CB 3.54Å; I300-C302 PolarHBondContact O-N 3Å
303S96.2Very high97.5Very high58 Ų5844.3 Ų44.341%0.40622%0.219SC..SBendtrans-76.7-32.9174.863.40000112.2N282 L283N282-S303 PolarHBondContact O-OG 3.26Å; L283-S303 PolarHBondContact O-N 2.72Å; L283-S303 PolarHBondContact O-OG 2.57Å
304Q96Very high97.5Very high80 Ų8045.1 Ų45.137%0.37422%0.223SC..EExtended strand (participates in β ladder)trans-152136.5-177.8179.3-178.4-41.800109.5K284 V285 S306K284-Q304 CarbonylContact C-O 3.53Å; K284-Q304 WeakPolarHBondContact CA-O 3.38Å; K284-Q304 HydrophobicContact CG-CB 4.35Å; V285-Q304 PolarHBondContact N-O 2.99Å; Q304-S306 PolarHBondContact NE2-OG 3.49Å
305I97.2Very high97.4Very high40 Ų4045.9 Ų45.921%0.20523%0.228CC..EExtended strand (participates in β ladder)trans-111.6137.9165.9-166.5163.7000109.5V285 T287 A297 Y307V285-I305 HydrophobicContact CB-CG1 4.21Å; V285-I305 HydrophobicContact CG1-CD1 4.24Å; V285-I305 HydrophobicContact CG1-CG1 4.2Å; V285-I305 CarbonylContact O-C 3.31Å; V285-I305 VanDerWaalsContact O-CA 3.28Å; V285-I305 WeakPolarHBondContact O-CA 3.35Å; T287-I305 HydrophobicContact CG2-CD1 4.42Å; A297-I305 HydrophobicContact CB-CD1 3.81Å; I305-Y307 HydrophobicContact CD1-CE1 4.48Å; I305-Y307 HydrophobicContact CG2-CE2 4.46Å
306S97.4Very high97.3Very high1 Ų143.7 Ų43.71%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-135.8143.4179.5-56.90000111.1V285 W286 T287 Q304V285-S306 PolarHBondContact O-N 2.92Å; W286-S306 WeakPolarHBondContact CA-O 3.39Å; T287-S306 PolarHBondContact N-O 2.88Å; Q304-S306 PolarHBondContact NE2-OG 3.49Å
307Y96.7Very high97.2Very high34 Ų3444.5 Ų44.513%0.13323%0.227CC..EExtended strand (participates in β ladder)trans-110.5119.7-177.1-49.5-84.7000108.2R6 V7 L9 T287 I294 I305R6-Y307 HydrophobicContact CB-CE2 4.37Å; R6-Y307 HydrophobicContact CG-CE2 3.98Å; V7-Y307 PolarHBondContact O-N 3.24Å; L9-Y307 PolarHBondContact N-O 3Å; T287-Y307 WeakPolarHBondContact O-CA 3.48Å; T287-Y307 WeakPolarHBondContact OG1-CD1 3.45Å; I294-Y307 HydrophobicContact CB-CE1 4.49Å; I294-Y307 HydrophobicContact CD1-CD1 3.77Å; I294-Y307 HydrophobicContact CD1-CE1 3.76Å; I294-Y307 HydrophobicContact CG1-CD1 3.89Å; I294-Y307 HydrophobicContact CG1-CE1 3.73Å; I294-Y307 HydrophobicContact CG2-CE1 4.11Å; I305-Y307 HydrophobicContact CD1-CE1 4.48Å; I305-Y307 HydrophobicContact CG2-CE2 4.46Å
308W97Very high97.2Very high4 Ų446.9 Ų46.92%0.01524%0.241CC..EExtended strand (participates in β ladder)trans-117.6118.8-173.8-70.773.4000109.6L9 I11 W286 T287 A310 L311 V363 E366L9-W308 HydrophobicContact CB-CD2 4.16Å; L9-W308 HydrophobicContact CB-CE3 4.22Å; L9-W308 HydrophobicContact CB-CH2 4.46Å; L9-W308 HydrophobicContact CB-CZ2 4.41Å; L9-W308 HydrophobicContact CB-CZ3 4.37Å; L9-W308 HydrophobicContact CD1-CD2 4.28Å; L9-W308 HydrophobicContact CD1-CH2 3.81Å; L9-W308 HydrophobicContact CD1-CZ2 3.25Å; L9-W308 HydrophobicContact CG-CZ2 4.45Å; I11-W308 HydrophobicContact CD1-CH2 3.84Å; I11-W308 HydrophobicContact CD1-CZ3 3.79Å; I11-W308 HydrophobicContact CG1-CZ3 4.36Å; W286-W308 AromaticContact CD1-NE1 3.78Å; W286-W308 AromaticContact CD2-NE1 3.84Å; W286-W308 AromaticContact CG-NE1 3.67Å; W286-W308 HydrophobicContact CZ2-CZ2 4.46Å; T287-W308 PolarHBondContact O-N 3.46Å; W308-A310 PolarHBondContact O-N 3.07Å; W308-L311 HydrophobicContact CB-CB 4.15Å; W308-L311 HydrophobicContact CB-CD1 3.89Å; W308-L311 HydrophobicContact CB-CG 3.82Å; W308-L311 HydrophobicContact CG-CD1 4.26Å; W308-L311 WeakPolarHBondContact O-CB 3.05Å; W308-L311 PolarHBondContact O-N 2.9Å; W308-V363 HydrophobicContact CE3-CG2 4.11Å; W308-V363 HydrophobicContact CZ3-CG2 4.42Å; W308-E366 HydrophobicContact CH2-CB 4.05Å; W308-E366 HydrophobicContact CH2-CG 4.02Å; W308-E366 HydrophobicContact CZ2-CG 4.11Å
309K95.9Very high97.1Very high121 Ų12140.8 Ų40.853%0.52621%0.212SC..G310 helixtrans-62.3-34.2174.2-166.3171-178.6172.60111.8H289 L311 D312H289-K309 PolarHBondContact CE1-N 3.38Å; H289-K309 VanDerWaalsContact ND1-CA 3.32Å; H289-K309 WeakPolarHBondContact ND1-CA 3.3Å; H289-K309 PolarHBondContact ND1-N 2.93Å; K309-L311 PolarHBondContact O-N 3.19Å; K309-D312 WeakPolarHBondContact CG-OD2 3.48Å; K309-D312 WeakPolarHBondContact O-CB 3.49Å; K309-D312 VanDerWaalsContact O-CG 3.29Å; K309-D312 PolarHBondContact O-N 2.94Å
310A96.9Very high97.1Very high14 Ų1440.6 Ų40.612%0.11621%0.214CC..G310 helixtrans-59.3-17173.500000113.8W308 R359 L360 V363W308-A310 PolarHBondContact O-N 3.07Å; A310-R359 VanDerWaalsContact C-NH1 3.32Å; A310-R359 PolarHBondContact O-NH1 3.01Å; A310-L360 WeakPolarHBondContact O-CD2 3.39Å; A310-V363 HydrophobicContact CB-CG2 3.78Å
311L98.4Very high96.9Very high0 Ų041 Ų410%022%0.222CC..G310 helixtrans-94.90.3175.3-68.3179.2000113.7W286 S288 W308 K309 L360 V363 V375 C377 H378 V381 L385W286-L311 HydrophobicContact CB-CD1 3.87Å; S288-L311 VanDerWaalsContact CB-C 3.42Å; S288-L311 WeakPolarHBondContact CB-O 3.39Å; W308-L311 HydrophobicContact CB-CB 4.15Å; W308-L311 HydrophobicContact CB-CD1 3.89Å; W308-L311 HydrophobicContact CB-CG 3.82Å; W308-L311 HydrophobicContact CG-CD1 4.26Å; W308-L311 WeakPolarHBondContact O-CB 3.05Å; W308-L311 PolarHBondContact O-N 2.9Å; K309-L311 PolarHBondContact O-N 3.19Å; L311-L360 HydrophobicContact CD2-CD2 4.07Å; L311-V363 HydrophobicContact CD2-CG1 3.93Å; L311-V363 HydrophobicContact CD2-CG2 4.21Å; L311-V363 HydrophobicContact CG-CG2 4.44Å; L311-V375 HydrophobicContact CD1-CG1 3.87Å; L311-V375 HydrophobicContact CD2-CG1 3.97Å; L311-C377 HydrophobicContact CD2-CB 4.45Å; L311-H378 PolarHBondContact O-CD2 3.01Å; L311-V381 HydrophobicContact CD2-CG1 3.8Å; L311-L385 HydrophobicContact CD2-CD1 4.39Å
312D98Very high97Very high23 Ų2334.5 Ų34.512%0.12319%0.192CC..SBendtrans-61148.3175-66.2-10.3000110.2S288 H289 F290 K309 R359 V381S288-D312 VanDerWaalsContact CB-OD1 3.26Å; S288-D312 WeakPolarHBondContact CB-OD1 3.2Å; H289-D312 PolarHBondContact N-OD1 3.27Å; H289-D312 IonicContact ND1-OD1 2.75Å; H289-D312 IonicContact ND1-OD2 2.69Å; F290-D312 HydrophobicContact CE2-CB 4.14Å; F290-D312 HydrophobicContact CZ-CB 4.39Å; K309-D312 WeakPolarHBondContact CG-OD2 3.48Å; K309-D312 WeakPolarHBondContact O-CB 3.49Å; K309-D312 VanDerWaalsContact O-CG 3.29Å; K309-D312 PolarHBondContact O-N 2.94Å; D312-R359 PolarHBondContact O-NH1 3.32Å; D312-R359 PolarHBondContact O-NH2 2.85Å; D312-V381 WeakPolarHBondContact O-CG2 3.21Å
313E98.2Very high96.9Very high33 Ų3333.7 Ų33.715%0.15419%0.185CC..PPolyproline II helixtrans-58.1154.4179.6-17457.6-62.600110.7F290 D315 R359 H378 Q379 A380F290-E313 HydrophobicContact CD2-CB 4.45Å; F290-E313 HydrophobicContact CE2-CB 4.01Å; E313-D315 PolarHBondContact O-N 3.47Å; E313-R359 PolarHBondContact O-NH2 3.11Å; E313-H378 HydrophobicContact CB-CB 3.69Å; E313-H378 HydrophobicContact CG-CB 3.86Å; E313-H378 PolarHBondContact N-CD2 3.38Å; E313-H378 WeakPolarHBondContact OE1-CB 3.45Å; E313-H378 WeakPolarHBondContact OE2-CB 3.47Å; E313-Q379 PolarHBondContact OE2-N 3.38Å; E313-A380 WeakPolarHBondContact OE1-CB 3.31Å; E313-A380 PolarHBondContact OE1-N 2.63Å; E313-A380 PolarHBondContact OE2-N 3.09Å
314L97.9Very high96.8Very high17 Ų1732 Ų329%0.08917%0.17CC..PPolyproline II helixtrans-51.2126.3172.2-177.4148.4000110.2A316 Y347 E351 Y353 L356 A380L314-A316 PolarHBondContact O-N 2.85Å; L314-Y347 HydrophobicContact CD2-CD2 3.77Å; L314-Y347 HydrophobicContact CD2-CE2 3.71Å; L314-E351 HydrophobicContact CG-CB 4.19Å; L314-Y353 HydrophobicContact CD1-CD1 4.48Å; L314-Y353 HydrophobicContact CD1-CD2 4.06Å; L314-Y353 HydrophobicContact CD1-CE2 4.2Å; L314-Y353 HydrophobicContact CD1-CG 4.22Å; L314-L356 HydrophobicContact CB-CD2 4.24Å; L314-L356 HydrophobicContact CD1-CD2 4.32Å; L314-A380 HydrophobicContact CB-CB 3.61Å; L314-A380 HydrophobicContact CD1-CB 4.19Å
315D97.8Very high96.7Very high73 Ų7331.4 Ų31.439%0.3917%0.168SC..  trans-71.6113.9179.2-170.4-9.6000110.8E313 G317 G350 E351E313-D315 PolarHBondContact O-N 3.47Å; D315-G317 PolarHBondContact O-N 3.17Å; D315-G317 WeakPolarHBondContact OD1-CA 3.47Å; D315-G317 PolarHBondContact OD1-N 2.92Å; D315-G350 WeakPolarHBondContact O-CA 3.48Å; D315-E351 HydrophobicContact CB-CB 4.29Å; D315-E351 HydrophobicContact CB-CG 3.93Å; D315-E351 PolarHBondContact N-OE2 3.22Å; D315-E351 VanDerWaalsContact N-OE2 3.08Å; D315-E351 PolarHBondContact O-N 3.31Å
316A96.8Very high96.7Very high3 Ų331.7 Ų31.73%0.02517%0.168CC..  trans-81.50.6178.300000113.1I254 L314 V318 C319 D320 Y347I254-A316 HydrophobicContact CD1-CB 3.76Å; I254-A316 HydrophobicContact CG1-CB 4.28Å; L314-A316 PolarHBondContact O-N 2.85Å; A316-V318 PolarHBondContact O-N 2.84Å; A316-C319 HydrophobicContact CB-CB 4.4Å; A316-C319 WeakPolarHBondContact O-CB 3.37Å; A316-C319 PolarHBondContact O-N 2.97Å; A316-D320 HydrophobicContact CB-CB 4.49Å; A316-Y347 HydrophobicContact CB-CD1 4.44Å; A316-Y347 HydrophobicContact CB-CE1 4.42Å; A316-Y347 WeakPolarHBondContact O-CB 3.32Å; A316-Y347 VanDerWaalsContact O-CD1 3.31Å; A316-Y347 WeakPolarHBondContact O-CD1 3.39Å
317G96.9Very high96.6Very high17 Ų1731.9 Ų31.918%0.17517%0.169CC..G310 helixtrans55.8-126.3175.800000112.1D315 C319 D320 P348D315-G317 PolarHBondContact O-N 3.17Å; D315-G317 WeakPolarHBondContact OD1-CA 3.47Å; D315-G317 PolarHBondContact OD1-N 2.92Å; G317-C319 PolarHBondContact O-N 3.11Å; G317-D320 WeakPolarHBondContact O-CB 3.4Å; G317-D320 PolarHBondContact O-N 3.37Å; G317-P348 WeakPolarHBondContact CA-O 3.1Å
318V97Very high96.4Very high55 Ų5531 Ų3133%0.33317%0.166SC..G310 helixtrans-62.7-13.3179.2-57.40000114.4A316 M322 Y331 P348 M349A316-V318 PolarHBondContact O-N 2.84Å; V318-M322 WeakPolarHBondContact O-CE 3.34Å; V318-Y331 HydrophobicContact CG2-CE2 4.19Å; V318-P348 HydrophobicContact CG1-CB 4.45Å; V318-P348 HydrophobicContact CG2-CB 3.87Å; V318-P348 HydrophobicContact CG2-CG 4.18Å; V318-P348 PolarHBondContact N-O 3.11Å; V318-P348 VanDerWaalsContact N-O 3.08Å; V318-M349 HydrophobicContact CG1-CB 4.31Å; V318-M349 HydrophobicContact CG1-CG 4.25Å
319C96.7Very high96.3Very high1 Ų138.4 Ų38.41%0.00720%0.201CC..G310 helixtrans-96.62.4177.3-59.50000113.1I254 A316 G317 G321 M322 I327 Y347I254-C319 HydrophobicContact CD1-CB 4.39Å; A316-C319 HydrophobicContact CB-CB 4.4Å; A316-C319 WeakPolarHBondContact O-CB 3.37Å; A316-C319 PolarHBondContact O-N 2.97Å; G317-C319 PolarHBondContact O-N 3.11Å; C319-G321 PolarHBondContact O-N 2.65Å; C319-M322 WeakPolarHBondContact O-CB 3.3Å; C319-M322 PolarHBondContact O-N 3.22Å; C319-I327 HydrophobicContact CB-CD1 3.86Å; C319-I327 HydrophobicContact CB-CG1 3.95Å; C319-Y347 HydrophobicContact CB-CD1 4Å; C319-Y347 HydrophobicContact CB-CE1 3.99Å
320D96.7Very high96.3Very high74 Ų7438.4 Ų38.440%0.39620%0.201SC..THydrogen-bonded Turntrans-59.6134.9177.8-166.5-90.6000111.2G255 G256 A316 G317 M322G255-D320 WeakPolarHBondContact CA-OD2 3.45Å; G256-D320 WeakPolarHBondContact CA-OD1 3.26Å; G256-D320 VanDerWaalsContact N-CG 3.33Å; G256-D320 PolarHBondContact N-OD1 2.6Å; G256-D320 PolarHBondContact N-OD2 3.46Å; A316-D320 HydrophobicContact CB-CB 4.49Å; G317-D320 WeakPolarHBondContact O-CB 3.4Å; G317-D320 PolarHBondContact O-N 3.37Å; D320-M322 VanDerWaalsContact C-N 3.27Å; D320-M322 PolarHBondContact O-N 3.18Å
321G95.5Very high96.2Very high22 Ų2241.5 Ų41.523%0.22721%0.21CC..THydrogen-bonded Turntrans78.1-0.4-177.500000115.1R253 I254 C319R253-G321 VanDerWaalsContact CD-O 3.24Å; R253-G321 WeakPolarHBondContact CD-O 3.31Å; R253-G321 WeakPolarHBondContact CG-O 3.4Å; R253-G321 PolarHBondContact NH1-O 3.33Å; I254-G321 VanDerWaalsContact O-CA 3.22Å; I254-G321 WeakPolarHBondContact O-CA 3.34Å; I254-G321 PolarHBondContact O-N 2.85Å; C319-G321 PolarHBondContact O-N 2.65Å
322M96.8Very high96Very high27 Ų2743.8 Ų43.813%0.13323%0.225CC..  trans-90.1155.9-178.7-60.8-172.3-175.700113.4R253 I254 V318 C319 D320 E326 I327 K330 Y331R253-M322 WeakPolarHBondContact CA-O 3.45Å; I254-M322 WeakPolarHBondContact CG1-O 3.46Å; I254-M322 PolarHBondContact N-O 2.96Å; V318-M322 WeakPolarHBondContact O-CE 3.34Å; C319-M322 WeakPolarHBondContact O-CB 3.3Å; C319-M322 PolarHBondContact O-N 3.22Å; D320-M322 VanDerWaalsContact C-N 3.27Å; D320-M322 PolarHBondContact O-N 3.18Å; M322-E326 WeakPolarHBondContact CA-OE2 3.25Å; M322-E326 HydrophobicContact CB-CB 4.16Å; M322-I327 HydrophobicContact CB-CD1 4.18Å; M322-I327 HydrophobicContact CB-CG1 3.71Å; M322-I327 HydrophobicContact SD-CG1 4.22Å; M322-K330 HydrophobicContact CE-CD 4.17Å; M322-K330 HydrophobicContact SD-CD 4.14Å; M322-Y331 HydrophobicContact CE-CE2 4.13Å; M322-Y331 HydrophobicContact SD-CE2 4.11Å
323T95.6Very high95.7Very high10 Ų1047.1 Ų47.16%0.06124%0.243CC..  trans-80.7166.7163.873.30000111H251 R253 E325 E326 I327H251-T323 WeakPolarHBondContact O-CG2 3.46Å; R253-T323 HydrophobicContact CG-CG2 3.83Å; T323-E325 VanDerWaalsContact C-N 3.26Å; T323-E325 WeakPolarHBondContact CB-OE2 3.45Å; T323-E325 PolarHBondContact O-N 2.78Å; T323-E325 PolarHBondContact OG1-OE2 2.72Å; T323-E326 PolarHBondContact N-OE2 2.78Å; T323-E326 PolarHBondContact O-N 2.94Å; T323-E326 WeakPolarHBondContact OG1-CG 3.37Å; T323-E326 PolarHBondContact OG1-N 2.92Å; T323-I327 WeakPolarHBondContact O-CD1 3.42Å; T323-I327 VanDerWaalsContact O-CG1 3.22Å; T323-I327 WeakPolarHBondContact O-CG1 3.31Å; T323-I327 PolarHBondContact O-N 2.85Å
324Y94Very high95.5Very high22 Ų2246.6 Ų46.69%0.08624%0.241CC..Hα-helixtrans-67.3-31.1177.7-78.9-60.5000112.4I254 I327 Q328 F335 R338 V452I254-Y324 HydrophobicContact CG2-CE1 4.44Å; I254-Y324 HydrophobicContact CG2-CE2 4.26Å; Y324-I327 HydrophobicContact CD1-CD1 4.41Å; Y324-I327 PolarHBondContact O-N 2.79Å; Y324-Q328 WeakPolarHBondContact O-CB 3.36Å; Y324-Q328 PolarHBondContact O-N 3.26Å; Y324-F335 HydrophobicContact CD1-CD2 4.5Å; Y324-F335 AromaticContact CD1-CE2 3.58Å; Y324-F335 HydrophobicContact CD1-CE2 3.58Å; Y324-F335 HydrophobicContact CD1-CZ 4.23Å; Y324-F335 HydrophobicContact CG-CE2 4.13Å; Y324-F335 WeakPolarHBondContact O-CE2 3.4Å; Y324-R338 PolarHBondContact OH-NH2 3.31Å; Y324-R338 VanDerWaalsContact OH-NH2 3.07Å; Y324-V452 HydrophobicContact CD2-CG1 3.74Å; Y324-V452 HydrophobicContact CD2-CG2 4.26Å; Y324-V452 HydrophobicContact CG-CG1 4.26Å; Y324-V452 HydrophobicContact CG-CG2 4.17Å
325E93.8Very high95.3Very high69 Ų6946 Ų4632%0.32224%0.238SC..Hα-helixtrans-64.5-48.9174.9-63.766.7-149.500110T323 I327 Q328 E329 M449T323-E325 VanDerWaalsContact C-N 3.26Å; T323-E325 WeakPolarHBondContact CB-OE2 3.45Å; T323-E325 PolarHBondContact O-N 2.78Å; T323-E325 PolarHBondContact OG1-OE2 2.72Å; E325-I327 VanDerWaalsContact C-N 3.3Å; E325-I327 PolarHBondContact O-N 3.07Å; E325-Q328 PolarHBondContact O-N 3.18Å; E325-E329 PolarHBondContact O-N 3.34Å; E325-M449 HydrophobicContact CG-SD 4.04Å
326E96.2Very high95Very high46 Ų4642.7 Ų42.722%0.21522%0.221CC..Hα-helixtrans-60.7-38.5175.6-72.7172162.100111.6R253 M322 T323 E329 K330R253-E326 IonicContact CZ-OE1 2.97Å; R253-E326 IonicContact CZ-OE2 3.12Å; R253-E326 IonicContact NH1-OE1 3.83Å; R253-E326 PolarHBondContact NH1-OE1 2.78Å; R253-E326 IonicContact NH1-OE2 2.67Å; R253-E326 PolarHBondContact NH1-OE2 3.31Å; R253-E326 IonicContact NH2-OE1 3.01Å; R253-E326 PolarHBondContact NH2-OE1 2.82Å; R253-E326 IonicContact NH2-OE2 3.83Å; M322-E326 WeakPolarHBondContact CA-OE2 3.25Å; M322-E326 HydrophobicContact CB-CB 4.16Å; T323-E326 PolarHBondContact N-OE2 2.78Å; T323-E326 PolarHBondContact O-N 2.94Å; T323-E326 WeakPolarHBondContact OG1-CG 3.37Å; T323-E326 PolarHBondContact OG1-N 2.92Å; E326-E329 PolarHBondContact O-N 3.28Å; E326-K330 WeakPolarHBondContact O-CB 3.46Å; E326-K330 WeakPolarHBondContact O-CG 3.47Å; E326-K330 PolarHBondContact O-N 3.16Å
327I95.2Very high94.9Very high4 Ų448.7 Ų48.72%0.02124%0.243CC..Hα-helixtrans-69.5-41.9176.9-61.5163.2000110.8I254 C319 M322 T323 Y324 E325 E329 Y331 F335I254-I327 HydrophobicContact CD1-CD1 3.53Å; I254-I327 HydrophobicContact CG1-CD1 4.2Å; C319-I327 HydrophobicContact CB-CD1 3.86Å; C319-I327 HydrophobicContact CB-CG1 3.95Å; M322-I327 HydrophobicContact CB-CD1 4.18Å; M322-I327 HydrophobicContact CB-CG1 3.71Å; M322-I327 HydrophobicContact SD-CG1 4.22Å; T323-I327 WeakPolarHBondContact O-CD1 3.42Å; T323-I327 VanDerWaalsContact O-CG1 3.22Å; T323-I327 WeakPolarHBondContact O-CG1 3.31Å; T323-I327 PolarHBondContact O-N 2.85Å; Y324-I327 HydrophobicContact CD1-CD1 4.41Å; Y324-I327 PolarHBondContact O-N 2.79Å; E325-I327 VanDerWaalsContact C-N 3.3Å; E325-I327 PolarHBondContact O-N 3.07Å; I327-E329 VanDerWaalsContact C-N 3.28Å; I327-E329 PolarHBondContact O-N 3.4Å; I327-Y331 CarbonylContact O-C 3.5Å; I327-Y331 VanDerWaalsContact O-C 3.23Å; I327-Y331 VanDerWaalsContact O-CA 3.31Å; I327-Y331 WeakPolarHBondContact O-CA 3.19Å; I327-Y331 PolarHBondContact O-N 3.07Å; I327-F335 HydrophobicContact CB-CD2 4.07Å; I327-F335 HydrophobicContact CG2-CB 4.35Å; I327-F335 HydrophobicContact CG2-CD2 3.77Å
328Q94Very high94.8Very high16 Ų1648.6 Ų48.68%0.07524%0.237CC..Hα-helixtrans-64.6-34.3177174.661.245.700111.9Y324 E325 P332 F335 A448 M449Y324-Q328 WeakPolarHBondContact O-CB 3.36Å; Y324-Q328 PolarHBondContact O-N 3.26Å; E325-Q328 PolarHBondContact O-N 3.18Å; Q328-P332 WeakPolarHBondContact O-CA 3.19Å; Q328-P332 WeakPolarHBondContact O-CB 3.38Å; Q328-F335 HydrophobicContact CB-CD2 4.2Å; Q328-F335 HydrophobicContact CB-CE2 4.4Å; Q328-F335 HydrophobicContact CB-CG 4.29Å; Q328-A448 HydrophobicContact CG-CB 4.23Å; Q328-M449 HydrophobicContact CB-CE 3.56Å; Q328-M449 HydrophobicContact CG-CE 3.8Å
329E94.8Very high94.7Very high160 Ų16046.1 Ų46.175%0.74822%0.222SC*.Hα-helixtrans-72.3-48176.3-173.2-177.7179.400111.9E325 E326 I327E325-E329 PolarHBondContact O-N 3.34Å; E326-E329 PolarHBondContact O-N 3.28Å; I327-E329 VanDerWaalsContact C-N 3.28Å; I327-E329 PolarHBondContact O-N 3.4Å
330K95.8Very high94.5Very high120 Ų12048.9 Ų48.952%0.52225%0.245SC..Hα-helixtrans-82.4-35-174.4-68.1176.3-178.5172.20113.8M322 E326M322-K330 HydrophobicContact CE-CD 4.17Å; M322-K330 HydrophobicContact SD-CD 4.14Å; E326-K330 WeakPolarHBondContact O-CB 3.46Å; E326-K330 WeakPolarHBondContact O-CG 3.47Å; E326-K330 PolarHBondContact O-N 3.16Å
331Y94.7Very high94.4Very high79 Ų7949 Ų4931%0.3125%0.245SC..  trans-136.158-173.4-49.8-72.5000111.9V318 M322 I327 D333 D334 F335V318-Y331 HydrophobicContact CG2-CE2 4.19Å; M322-Y331 HydrophobicContact CE-CE2 4.13Å; M322-Y331 HydrophobicContact SD-CE2 4.11Å; I327-Y331 CarbonylContact O-C 3.5Å; I327-Y331 VanDerWaalsContact O-C 3.23Å; I327-Y331 VanDerWaalsContact O-CA 3.31Å; I327-Y331 WeakPolarHBondContact O-CA 3.19Å; I327-Y331 PolarHBondContact O-N 3.07Å; Y331-D333 VanDerWaalsContact C-N 3.31Å; Y331-D333 PolarHBondContact O-N 2.94Å; Y331-D334 PolarHBondContact O-N 3.41Å; Y331-F335 PolarHBondContact O-N 2.74Å
332P92.6Very high94.4Very high49 Ų4948.2 Ų48.232%0.31824%0.236SC..Hα-helixtrans-58.6-38.8-17521.6-33.2000113.4Q328 F335 A336Q328-P332 WeakPolarHBondContact O-CA 3.19Å; Q328-P332 WeakPolarHBondContact O-CB 3.38Å; P332-F335 PolarHBondContact O-N 2.75Å; P332-A336 PolarHBondContact O-N 2.92Å
333D92Very high94.4Very high92 Ų9247.6 Ų47.649%0.49223%0.232SC..Hα-helixtrans-67.9-40.5179.7-71.3-32000112.1Y331 A336 R337Y331-D333 VanDerWaalsContact C-N 3.31Å; Y331-D333 PolarHBondContact O-N 2.94Å; D333-A336 PolarHBondContact O-N 3.38Å; D333-R337 WeakPolarHBondContact O-CB 3.47Å; D333-R337 WeakPolarHBondContact O-CG 3.35Å; D333-R337 PolarHBondContact O-N 3.27Å
334D93.7Very high94.4Very high23 Ų2351.5 Ų51.512%0.12325%0.247CC..Hα-helixtrans-65.4-41.9173.9-81.5-66.2000111.6Y331 A336 R337 R338 Y345Y331-D334 PolarHBondContact O-N 3.41Å; D334-A336 VanDerWaalsContact C-N 3.3Å; D334-A336 PolarHBondContact O-N 3.25Å; D334-R337 PolarHBondContact O-N 2.82Å; D334-R337 IonicContact OD1-CZ 3.38Å; D334-R337 IonicContact OD1-NE 3.49Å; D334-R337 IonicContact OD1-NH2 2.93Å; D334-R337 PolarHBondContact OD1-NH2 3.5Å; D334-R337 IonicContact OD2-NH2 3.04Å; D334-R337 PolarHBondContact OD2-NH2 2.56Å; D334-R338 WeakPolarHBondContact O-CB 3.33Å; D334-R338 PolarHBondContact O-N 2.95Å; D334-Y345 HydrophobicContact CB-CE2 4.27Å; D334-Y345 WeakPolarHBondContact CB-OH 3.36Å; D334-Y345 PolarHBondContact OD1-OH 3.1Å
335F93.5Very high94.5Very high3 Ų351.5 Ų51.51%0.01325%0.246CC..Hα-helixtrans-59.5-42.4175.6-165.6-82.7000111.4Y324 I327 Q328 Y331 P332 D339 R433 R443 A448 M449 V452Y324-F335 HydrophobicContact CD1-CD2 4.5Å; Y324-F335 AromaticContact CD1-CE2 3.58Å; Y324-F335 HydrophobicContact CD1-CE2 3.58Å; Y324-F335 HydrophobicContact CD1-CZ 4.23Å; Y324-F335 HydrophobicContact CG-CE2 4.13Å; Y324-F335 WeakPolarHBondContact O-CE2 3.4Å; I327-F335 HydrophobicContact CB-CD2 4.07Å; I327-F335 HydrophobicContact CG2-CB 4.35Å; I327-F335 HydrophobicContact CG2-CD2 3.77Å; Q328-F335 HydrophobicContact CB-CD2 4.2Å; Q328-F335 HydrophobicContact CB-CE2 4.4Å; Q328-F335 HydrophobicContact CB-CG 4.29Å; Y331-F335 PolarHBondContact O-N 2.74Å; P332-F335 PolarHBondContact O-N 2.75Å; F335-D339 VanDerWaalsContact O-CG 3.3Å; F335-D339 PolarHBondContact O-N 3.07Å; F335-D339 VanDerWaalsContact O-N 3.16Å; F335-R433 VanDerWaalsContact CZ-CZ 3.47Å; F335-R433 VanDerWaalsContact CZ-NH1 3.27Å; F335-R443 VanDerWaalsContact CD1-NH2 3.31Å; F335-A448 HydrophobicContact CD1-CB 4.43Å; F335-A448 HydrophobicContact CE1-CB 4.11Å; F335-M449 HydrophobicContact CD1-CE 4.37Å; F335-M449 HydrophobicContact CE1-CE 3.51Å; F335-M449 HydrophobicContact CE2-CE 3.81Å; F335-M449 HydrophobicContact CZ-CE 3.18Å; F335-V452 HydrophobicContact CZ-CG2 4.37Å
336A93.5Very high94.7Very high4 Ų455 Ų553%0.03326%0.257CS..Hα-helixtrans-67.8-43.7174.600000113P332 D333 D334 R338 D339 A340P332-A336 PolarHBondContact O-N 2.92Å; D333-A336 PolarHBondContact O-N 3.38Å; D334-A336 VanDerWaalsContact C-N 3.3Å; D334-A336 PolarHBondContact O-N 3.25Å; A336-R338 VanDerWaalsContact C-N 3.33Å; A336-R338 PolarHBondContact O-N 3.26Å; A336-D339 WeakPolarHBondContact O-CB 3.48Å; A336-D339 PolarHBondContact O-N 2.82Å; A336-D339 VanDerWaalsContact O-N 3.15Å; A336-A340 WeakPolarHBondContact O-CB 3.49Å; A336-A340 PolarHBondContact O-N 2.71Å
337R94Very high94.8Very high129 Ų12953.5 Ų53.549%0.48725%0.249SC..Hα-helixtrans-59.5-43.6176.1-77.4-169.2-66-95.710.5111.9D333 D334 D339 A340 N341 Y345D333-R337 WeakPolarHBondContact O-CB 3.47Å; D333-R337 WeakPolarHBondContact O-CG 3.35Å; D333-R337 PolarHBondContact O-N 3.27Å; D334-R337 PolarHBondContact O-N 2.82Å; D334-R337 IonicContact OD1-CZ 3.38Å; D334-R337 IonicContact OD1-NE 3.49Å; D334-R337 IonicContact OD1-NH2 2.93Å; D334-R337 PolarHBondContact OD1-NH2 3.5Å; D334-R337 IonicContact OD2-NH2 3.04Å; D334-R337 PolarHBondContact OD2-NH2 2.56Å; R337-D339 VanDerWaalsContact C-N 3.3Å; R337-D339 PolarHBondContact O-N 2.69Å; R337-A340 PolarHBondContact O-N 3.11Å; R337-N341 PolarHBondContact O-N 2.92Å; R337-Y345 HydrophobicContact CB-CD2 3.88Å; R337-Y345 HydrophobicContact CB-CE2 4.14Å
338R95.1Very high94.8Very high15 Ų1555.5 Ų55.56%0.05726%0.262CS..Hα-helixtrans-58.9-42.9174.5-178.5-178.9173.7-90.217.5111.8Y324 D334 A336 N341 K342 Y345 Y347 R433Y324-R338 PolarHBondContact OH-NH2 3.31Å; Y324-R338 VanDerWaalsContact OH-NH2 3.07Å; D334-R338 WeakPolarHBondContact O-CB 3.33Å; D334-R338 PolarHBondContact O-N 2.95Å; A336-R338 VanDerWaalsContact C-N 3.33Å; A336-R338 PolarHBondContact O-N 3.26Å; R338-N341 CarbonylContact O-C 3.45Å; R338-K342 HydrophobicContact CG-CG 4.26Å; R338-K342 WeakPolarHBondContact O-CA 3.38Å; R338-K342 WeakPolarHBondContact O-CB 3.35Å; R338-K342 PolarHBondContact O-N 3.3Å; R338-Y345 VanDerWaalsContact CA-CG 3.48Å; R338-Y345 HydrophobicContact CB-CD1 3.53Å; R338-Y345 HydrophobicContact CB-CD2 4.08Å; R338-Y345 HydrophobicContact CB-CE1 3.71Å; R338-Y345 HydrophobicContact CB-CE2 4.23Å; R338-Y345 HydrophobicContact CB-CG 3.73Å; R338-Y345 HydrophobicContact CG-CD1 3.61Å; R338-Y345 HydrophobicContact CG-CE1 3.94Å; R338-Y345 HydrophobicContact CG-CG 4.17Å; R338-Y347 VanDerWaalsContact CD-OH 3.3Å; R338-Y347 WeakPolarHBondContact CD-OH 3.42Å; R338-Y347 PolarHBondContact NE-OH 2.88Å; R338-R433 VanDerWaalsContact NH1-NH1 3.16Å
339D93.9Very high94.9Very high3 Ų362.8 Ų62.82%0.01630%0.299CS..Hα-helixtrans-67.9-39.9179.3-76.9-3.1000112.4F335 A336 R337 R433 P436 T439 R443F335-D339 VanDerWaalsContact O-CG 3.3Å; F335-D339 PolarHBondContact O-N 3.07Å; F335-D339 VanDerWaalsContact O-N 3.16Å; A336-D339 WeakPolarHBondContact O-CB 3.48Å; A336-D339 PolarHBondContact O-N 2.82Å; A336-D339 VanDerWaalsContact O-N 3.15Å; R337-D339 VanDerWaalsContact C-N 3.3Å; R337-D339 PolarHBondContact O-N 2.69Å; D339-R433 VanDerWaalsContact CG-NH2 3.26Å; D339-R433 IonicContact OD1-CZ 2.73Å; D339-R433 IonicContact OD1-NH1 3.18Å; D339-R433 PolarHBondContact OD1-NH1 3.23Å; D339-R433 IonicContact OD1-NH2 3.4Å; D339-R433 PolarHBondContact OD1-NH2 3.21Å; D339-R433 VanDerWaalsContact OD1-NH2 3.12Å; D339-R433 IonicContact OD2-CZ 3.92Å; D339-R433 IonicContact OD2-NH1 3.34Å; D339-R433 IonicContact OD2-NH2 2.82Å; D339-R433 PolarHBondContact OD2-NH2 3.38Å; D339-P436 HydrophobicContact CB-CG 3.59Å; D339-T439 HydrophobicContact CB-CG2 3.91Å; D339-R443 IonicContact OD2-CZ 2.65Å; D339-R443 VanDerWaalsContact OD2-CZ 3.22Å; D339-R443 IonicContact OD2-NH1 3.17Å; D339-R443 PolarHBondContact OD2-NH1 3.11Å; D339-R443 IonicContact OD2-NH2 3.73Å; D339-R443 PolarHBondContact OD2-NH2 3.08Å
340A93.2Very high95Very high59 Ų5955.9 Ų55.949%0.48827%0.27SS..Hα-helixtrans-65.3-40.4179.400000112.5A336 R337A336-A340 WeakPolarHBondContact O-CB 3.49Å; A336-A340 PolarHBondContact O-N 2.71Å; R337-A340 PolarHBondContact O-N 3.11Å
341N93.6Very high95Very high76 Ų7652 Ų5241%0.40625%0.254SS..  trans-145.965.4-176.6-166-4.5000113.1R337 R338 Y343 Y344 Y345R337-N341 PolarHBondContact O-N 2.92Å; R338-N341 CarbonylContact O-C 3.45Å; N341-Y343 PolarHBondContact O-N 3.07Å; N341-Y343 VanDerWaalsContact O-N 3.11Å; N341-Y344 PolarHBondContact O-N 3.41Å; N341-Y344 WeakPolarHBondContact OD1-CD2 3.35Å; N341-Y345 WeakPolarHBondContact O-CB 3.36Å; N341-Y345 PolarHBondContact O-N 3.12Å
342K96.8Very high95.2Very high7 Ų748.3 Ų48.33%0.0324%0.239CC..THydrogen-bonded Turntrans-58.2-28.9-171.5-164.2174.5175.3-167.40115.1R338 Y353 P398 Y399R338-K342 HydrophobicContact CG-CG 4.26Å; R338-K342 WeakPolarHBondContact O-CA 3.38Å; R338-K342 WeakPolarHBondContact O-CB 3.35Å; R338-K342 PolarHBondContact O-N 3.3Å; K342-Y353 HydrophobicContact CD-CE2 4.48Å; K342-Y353 HydrophobicContact CG-CD2 4.36Å; K342-Y353 HydrophobicContact CG-CE2 4.1Å; K342-Y353 WeakPolarHBondContact O-CD2 3.47Å; K342-P398 HydrophobicContact CB-CB 4.06Å; K342-P398 HydrophobicContact CB-CG 4.42Å; K342-P398 HydrophobicContact CD-CB 3.67Å; K342-P398 HydrophobicContact CG-CB 3.8Å; K342-P398 PolarHBondContact NZ-O 2.81Å; K342-Y399 HydrophobicContact CB-CE2 4.32Å; K342-Y399 WeakPolarHBondContact CB-OH 3.48Å; K342-Y399 HydrophobicContact CD-CD1 4.37Å; K342-Y399 HydrophobicContact CD-CE1 3.61Å; K342-Y399 HydrophobicContact CD-CE2 4.28Å
343Y96.8Very high95.4Very high14 Ų1446.6 Ų46.66%0.05523%0.227CC..THydrogen-bonded Turntrans-69.8-46.3179.9-177.8-93.4000111.8N341 Y353 Q354 V357 K394 L397 P398N341-Y343 PolarHBondContact O-N 3.07Å; N341-Y343 VanDerWaalsContact O-N 3.11Å; Y343-Y353 PolarHBondContact O-N 3.33Å; Y343-Q354 HydrophobicContact CD1-CB 4.36Å; Y343-Q354 HydrophobicContact CE1-CB 3.74Å; Y343-Q354 HydrophobicContact CE1-CG 4.08Å; Y343-Q354 PolarHBondContact O-N 2.87Å; Y343-V357 HydrophobicContact CE2-CG2 4.3Å; Y343-K394 HydrophobicContact CD1-CB 3.98Å; Y343-K394 HydrophobicContact CD1-CD 4.48Å; Y343-K394 HydrophobicContact CD2-CB 3.8Å; Y343-K394 HydrophobicContact CE1-CB 4.05Å; Y343-K394 HydrophobicContact CE2-CB 3.88Å; Y343-K394 HydrophobicContact CG-CB 3.85Å; Y343-L397 HydrophobicContact CD2-CD2 4.42Å; Y343-L397 HydrophobicContact CE2-CD1 4.19Å; Y343-P398 HydrophobicContact CD2-CG 4.21Å
344Y95.9Very high95.6Very high92 Ų9245.1 Ų45.136%0.36122%0.217SC..THydrogen-bonded Turntrans-92.6-18-175.4-67.7-73.1000113.9N341 R346 Q354 K394N341-Y344 PolarHBondContact O-N 3.41Å; N341-Y344 WeakPolarHBondContact OD1-CD2 3.35Å; Y344-R346 PolarHBondContact O-N 3.28Å; Y344-Q354 VanDerWaalsContact CD1-OE1 3.32Å; Y344-K394 HydrophobicContact CE2-CD 3.9Å; Y344-K394 VanDerWaalsContact OH-CD 3.3Å; Y344-K394 WeakPolarHBondContact OH-CD 3.18Å; Y344-K394 PolarHBondContact OH-NZ 3.45Å
345Y96.5Very high95.8Very high21 Ų2145.9 Ų45.98%0.08222%0.221CC..PPolyproline II helixtrans-60.9121.9174.1170.4-93.2000110.1D334 R337 R338 N341 Y347 P348 S352D334-Y345 HydrophobicContact CB-CE2 4.27Å; D334-Y345 WeakPolarHBondContact CB-OH 3.36Å; D334-Y345 PolarHBondContact OD1-OH 3.1Å; R337-Y345 HydrophobicContact CB-CD2 3.88Å; R337-Y345 HydrophobicContact CB-CE2 4.14Å; R338-Y345 VanDerWaalsContact CA-CG 3.48Å; R338-Y345 HydrophobicContact CB-CD1 3.53Å; R338-Y345 HydrophobicContact CB-CD2 4.08Å; R338-Y345 HydrophobicContact CB-CE1 3.71Å; R338-Y345 HydrophobicContact CB-CE2 4.23Å; R338-Y345 HydrophobicContact CB-CG 3.73Å; R338-Y345 HydrophobicContact CG-CD1 3.61Å; R338-Y345 HydrophobicContact CG-CE1 3.94Å; R338-Y345 HydrophobicContact CG-CG 4.17Å; N341-Y345 WeakPolarHBondContact O-CB 3.36Å; N341-Y345 PolarHBondContact O-N 3.12Å; Y345-Y347 HydrophobicContact CD1-CD2 4.33Å; Y345-Y347 HydrophobicContact CD1-CE2 4.43Å; Y345-Y347 AromaticContact CE1-CD1 3.82Å; Y345-Y347 HydrophobicContact CE1-CD1 3.82Å; Y345-Y347 AromaticContact CE1-CD2 3.76Å; Y345-Y347 HydrophobicContact CE1-CD2 3.76Å; Y345-Y347 HydrophobicContact CE1-CE1 4.03Å; Y345-Y347 AromaticContact CE1-CE2 3.96Å; Y345-Y347 HydrophobicContact CE1-CE2 3.96Å; Y345-Y347 AromaticContact CE1-CG 3.7Å; Y345-Y347 HydrophobicContact CE1-CG 3.7Å; Y345-P348 WeakPolarHBondContact OH-CD 3.32Å; Y345-S352 VanDerWaalsContact O-CA 3.27Å; Y345-S352 WeakPolarHBondContact O-CA 3.18Å; Y345-S352 WeakPolarHBondContact O-CB 2.86Å
346R97.7Very high96Very high143 Ų14345.8 Ų45.854%0.5422%0.221SC..PPolyproline II helixtrans-101127.8171.3-175.1178.7-70.2145.9-2108.6Y344 G350 D355Y344-R346 PolarHBondContact O-N 3.28Å; R346-G350 VanDerWaalsContact CG-O 3.25Å; R346-G350 WeakPolarHBondContact CG-O 3.06Å; R346-D355 IonicContact CZ-OD1 2.78Å; R346-D355 IonicContact CZ-OD2 2.98Å; R346-D355 IonicContact NE-OD1 3.96Å; R346-D355 IonicContact NE-OD2 3.21Å; R346-D355 PolarHBondContact NE-OD2 3.3Å; R346-D355 IonicContact NH2-OD1 2.8Å; R346-D355 PolarHBondContact NH2-OD1 2.77Å; R346-D355 IonicContact NH2-OD2 3.68Å; R346-D355 PolarHBondContact NH2-OD2 2.96Å
347Y97.1Very high96.1Very high14 Ų1445.6 Ų45.66%0.05522%0.219CC..PPolyproline II helixtrans-59.9141.6171.4-78.3-90.9000110.4I254 L314 A316 C319 R338 Y345 M349 G350 E351I254-Y347 HydrophobicContact CD1-CE1 4.45Å; L314-Y347 HydrophobicContact CD2-CD2 3.77Å; L314-Y347 HydrophobicContact CD2-CE2 3.71Å; A316-Y347 HydrophobicContact CB-CD1 4.44Å; A316-Y347 HydrophobicContact CB-CE1 4.42Å; A316-Y347 WeakPolarHBondContact O-CB 3.32Å; A316-Y347 VanDerWaalsContact O-CD1 3.31Å; A316-Y347 WeakPolarHBondContact O-CD1 3.39Å; C319-Y347 HydrophobicContact CB-CD1 4Å; C319-Y347 HydrophobicContact CB-CE1 3.99Å; R338-Y347 VanDerWaalsContact CD-OH 3.3Å; R338-Y347 WeakPolarHBondContact CD-OH 3.42Å; R338-Y347 PolarHBondContact NE-OH 2.88Å; Y345-Y347 HydrophobicContact CD1-CD2 4.33Å; Y345-Y347 HydrophobicContact CD1-CE2 4.43Å; Y345-Y347 AromaticContact CE1-CD1 3.82Å; Y345-Y347 HydrophobicContact CE1-CD1 3.82Å; Y345-Y347 AromaticContact CE1-CD2 3.76Å; Y345-Y347 HydrophobicContact CE1-CD2 3.76Å; Y345-Y347 HydrophobicContact CE1-CE1 4.03Å; Y345-Y347 AromaticContact CE1-CE2 3.96Å; Y345-Y347 HydrophobicContact CE1-CE2 3.96Å; Y345-Y347 AromaticContact CE1-CG 3.7Å; Y345-Y347 HydrophobicContact CE1-CG 3.7Å; Y347-M349 PolarHBondContact O-N 3.23Å; Y347-G350 CarbonylContact O-C 3.55Å; Y347-G350 PolarHBondContact O-N 2.95Å; Y347-E351 PolarHBondContact N-O 3.34Å
348P95.7Very high96.1Very high46 Ų4641.7 Ų41.730%0.29921%0.21SC..THydrogen-bonded Turntrans-56125.7171.9-22.831.8000110.2G317 V318 Y345 G350G317-P348 WeakPolarHBondContact CA-O 3.1Å; V318-P348 HydrophobicContact CG1-CB 4.45Å; V318-P348 HydrophobicContact CG2-CB 3.87Å; V318-P348 HydrophobicContact CG2-CG 4.18Å; V318-P348 PolarHBondContact N-O 3.11Å; V318-P348 VanDerWaalsContact N-O 3.08Å; Y345-P348 WeakPolarHBondContact OH-CD 3.32Å; P348-G350 PolarHBondContact O-N 3.47Å
349M95.3Very high96.1Very high170 Ų17042.7 Ų42.784%0.83721%0.214SC*.THydrogen-bonded Turntrans59.420.4-173.4-54.8-61.5-67.800115V318 Y347V318-M349 HydrophobicContact CG1-CB 4.31Å; V318-M349 HydrophobicContact CG1-CG 4.25Å; Y347-M349 PolarHBondContact O-N 3.23Å
350G97Very high96.3Very high14 Ų1442.6 Ų42.614%0.14421%0.213CC..SBendtrans-134.6-152.717900000112.5D315 R346 Y347 P348D315-G350 WeakPolarHBondContact O-CA 3.48Å; R346-G350 VanDerWaalsContact CG-O 3.25Å; R346-G350 WeakPolarHBondContact CG-O 3.06Å; Y347-G350 CarbonylContact O-C 3.55Å; Y347-G350 PolarHBondContact O-N 2.95Å; P348-G350 PolarHBondContact O-N 3.47Å
351E97.5Very high96.3Very high38 Ų3840 Ų4018%0.17819%0.19CC..  trans-112.3159.4-172.8-71.5-179.3127.600112.7L314 D315 Y347 D355 R359L314-E351 HydrophobicContact CG-CB 4.19Å; D315-E351 HydrophobicContact CB-CB 4.29Å; D315-E351 HydrophobicContact CB-CG 3.93Å; D315-E351 PolarHBondContact N-OE2 3.22Å; D315-E351 VanDerWaalsContact N-OE2 3.08Å; D315-E351 PolarHBondContact O-N 3.31Å; Y347-E351 PolarHBondContact N-O 3.34Å; E351-D355 HydrophobicContact CB-CB 4.19Å; E351-D355 HydrophobicContact CG-CB 4.29Å; E351-R359 WeakPolarHBondContact OE1-CD 3.41Å; E351-R359 IonicContact OE1-CZ 3.83Å; E351-R359 IonicContact OE1-NE 2.86Å; E351-R359 PolarHBondContact OE1-NE 2.72Å; E351-R359 IonicContact OE1-NH2 3.51Å; E351-R359 IonicContact OE2-CZ 3.21Å; E351-R359 IonicContact OE2-NE 2.77Å; E351-R359 PolarHBondContact OE2-NE 3.31Å; E351-R359 IonicContact OE2-NH2 2.85Å; E351-R359 PolarHBondContact OE2-NH2 3.13Å
352S97.5Very high96.3Very high2 Ų236.7 Ų36.71%0.01417%0.174CC..  trans-100.6171.9160.966.10000111Y345 Q354 D355 L356Y345-S352 VanDerWaalsContact O-CA 3.27Å; Y345-S352 WeakPolarHBondContact O-CA 3.18Å; Y345-S352 WeakPolarHBondContact O-CB 2.86Å; S352-Q354 PolarHBondContact O-N 2.99Å; S352-Q354 PolarHBondContact OG-N 3.43Å; S352-D355 WeakPolarHBondContact CB-OD2 3.43Å; S352-D355 PolarHBondContact N-OD2 3.3Å; S352-D355 PolarHBondContact O-N 3.36Å; S352-D355 PolarHBondContact OG-N 3.11Å; S352-D355 VanDerWaalsContact OG-N 3.08Å; S352-D355 PolarHBondContact OG-OD2 2.9Å; S352-L356 PolarHBondContact O-N 3.36Å; S352-L356 VanDerWaalsContact O-N 3.1Å
353Y97.8Very high96.3Very high13 Ų1336.4 Ų36.45%0.05117%0.172CC..Hα-helixtrans-65-29.8168.9-85.6-86.2000112.1L314 K342 Y343 L356 V357 A380 R383 L397 P398L314-Y353 HydrophobicContact CD1-CD1 4.48Å; L314-Y353 HydrophobicContact CD1-CD2 4.06Å; L314-Y353 HydrophobicContact CD1-CE2 4.2Å; L314-Y353 HydrophobicContact CD1-CG 4.22Å; K342-Y353 HydrophobicContact CD-CE2 4.48Å; K342-Y353 HydrophobicContact CG-CD2 4.36Å; K342-Y353 HydrophobicContact CG-CE2 4.1Å; K342-Y353 WeakPolarHBondContact O-CD2 3.47Å; Y343-Y353 PolarHBondContact O-N 3.33Å; Y353-L356 HydrophobicContact CD1-CD2 4.41Å; Y353-L356 PolarHBondContact O-N 3.46Å; Y353-V357 WeakPolarHBondContact O-CG2 3.42Å; Y353-V357 PolarHBondContact O-N 2.98Å; Y353-A380 HydrophobicContact CE1-CB 3.72Å; Y353-R383 HydrophobicContact CE1-CB 4.42Å; Y353-R383 PolarHBondContact OH-NH1 3.5Å; Y353-L397 HydrophobicContact CD1-CD2 3.42Å; Y353-L397 VanDerWaalsContact CD1-CD2 3.42Å; Y353-L397 HydrophobicContact CE1-CD2 3.97Å; Y353-L397 HydrophobicContact CG-CD2 4.14Å; Y353-P398 HydrophobicContact CD2-CB 3.92Å; Y353-P398 HydrophobicContact CD2-CG 4.08Å; Y353-P398 HydrophobicContact CE1-CB 4.44Å; Y353-P398 HydrophobicContact CE2-CB 3.74Å; Y353-P398 HydrophobicContact CE2-CG 4.41Å; Y353-P398 HydrophobicContact CG-CB 4.33Å; Y353-P398 HydrophobicContact CG-CG 4.16Å
354Q96.6Very high96.2Very high62 Ų6235.7 Ų35.729%0.2917%0.17SC..Hα-helixtrans-64.6-42.8174.3-172.5-177.71100111.9Y343 Y344 S352 L356 V357 T358Y343-Q354 HydrophobicContact CD1-CB 4.36Å; Y343-Q354 HydrophobicContact CE1-CB 3.74Å; Y343-Q354 HydrophobicContact CE1-CG 4.08Å; Y343-Q354 PolarHBondContact O-N 2.87Å; Y344-Q354 VanDerWaalsContact CD1-OE1 3.32Å; S352-Q354 PolarHBondContact O-N 2.99Å; S352-Q354 PolarHBondContact OG-N 3.43Å; Q354-L356 VanDerWaalsContact C-N 3.33Å; Q354-V357 PolarHBondContact O-N 3.29Å; Q354-T358 PolarHBondContact O-N 3.16Å; Q354-T358 PolarHBondContact O-OG1 3.45Å
355D96.5Very high96.1Very high39 Ų3931.4 Ų31.421%0.20915%0.153CC..Hα-helixtrans-61.8-45.3175.4-59.4-48.2000110.3R346 E351 S352 V357 T358 R359R346-D355 IonicContact CZ-OD1 2.78Å; R346-D355 IonicContact CZ-OD2 2.98Å; R346-D355 IonicContact NE-OD1 3.96Å; R346-D355 IonicContact NE-OD2 3.21Å; R346-D355 PolarHBondContact NE-OD2 3.3Å; R346-D355 IonicContact NH2-OD1 2.8Å; R346-D355 PolarHBondContact NH2-OD1 2.77Å; R346-D355 IonicContact NH2-OD2 3.68Å; R346-D355 PolarHBondContact NH2-OD2 2.96Å; E351-D355 HydrophobicContact CB-CB 4.19Å; E351-D355 HydrophobicContact CG-CB 4.29Å; S352-D355 WeakPolarHBondContact CB-OD2 3.43Å; S352-D355 PolarHBondContact N-OD2 3.3Å; S352-D355 PolarHBondContact O-N 3.36Å; S352-D355 PolarHBondContact OG-N 3.11Å; S352-D355 VanDerWaalsContact OG-N 3.08Å; S352-D355 PolarHBondContact OG-OD2 2.9Å; D355-V357 PolarHBondContact O-N 2.89Å; D355-T358 WeakPolarHBondContact O-CB 3.48Å; D355-T358 PolarHBondContact O-N 3.5Å; D355-R359 PolarHBondContact O-N 3.1Å
356L97.1Very high96Very high0 Ų033 Ų330%016%0.161CC..Hα-helixtrans-59.8-46.6176.7176.159.3000112.5L314 S352 Y353 Q354 T358 R359 L360 A380 V381 C384L314-L356 HydrophobicContact CB-CD2 4.24Å; L314-L356 HydrophobicContact CD1-CD2 4.32Å; S352-L356 PolarHBondContact O-N 3.36Å; S352-L356 VanDerWaalsContact O-N 3.1Å; Y353-L356 HydrophobicContact CD1-CD2 4.41Å; Y353-L356 PolarHBondContact O-N 3.46Å; Q354-L356 VanDerWaalsContact C-N 3.33Å; L356-T358 VanDerWaalsContact C-N 3.29Å; L356-T358 PolarHBondContact O-N 3.33Å; L356-R359 HydrophobicContact CD1-CG 4.33Å; L356-R359 VanDerWaalsContact O-CG 3.31Å; L356-R359 WeakPolarHBondContact O-CG 3.46Å; L356-R359 PolarHBondContact O-N 3.25Å; L356-L360 HydrophobicContact CD1-CD1 3.72Å; L356-L360 HydrophobicContact CD1-CG 3.93Å; L356-L360 HydrophobicContact CG-CD1 3.86Å; L356-L360 HydrophobicContact CG-CG 4.45Å; L356-L360 WeakPolarHBondContact O-CB 3.28Å; L356-L360 VanDerWaalsContact O-CG 3.25Å; L356-L360 WeakPolarHBondContact O-CG 3.01Å; L356-L360 PolarHBondContact O-N 3.13Å; L356-A380 HydrophobicContact CD2-CB 3.67Å; L356-V381 HydrophobicContact CD1-CG2 4.1Å; L356-C384 WeakPolarHBondContact CD2-SG 3.24Å
357V96.8Very high95.8Very high1 Ų126.3 Ų26.31%0.00614%0.136CC..Hα-helixtrans-57.1-45.8174.9161.80000110.6W51 Y343 Y353 Q354 D355 R359 L360 E361 C384 L397W51-V357 HydrophobicContact CD2-CG1 4.13Å; W51-V357 HydrophobicContact CE3-CG1 4.23Å; W51-V357 HydrophobicContact CH2-CG1 4.03Å; W51-V357 WeakPolarHBondContact CH2-O 3.43Å; W51-V357 HydrophobicContact CZ2-CB 4.35Å; W51-V357 HydrophobicContact CZ2-CG1 3.96Å; W51-V357 HydrophobicContact CZ2-CG2 4.26Å; W51-V357 HydrophobicContact CZ3-CG1 4.16Å; W51-V357 VanDerWaalsContact O-CG1 3.28Å; W51-V357 WeakPolarHBondContact O-CG1 3.28Å; Y343-V357 HydrophobicContact CE2-CG2 4.3Å; Y353-V357 WeakPolarHBondContact O-CG2 3.42Å; Y353-V357 PolarHBondContact O-N 2.98Å; Q354-V357 PolarHBondContact O-N 3.29Å; D355-V357 PolarHBondContact O-N 2.89Å; V357-R359 PolarHBondContact O-N 3.43Å; V357-L360 PolarHBondContact O-N 2.87Å; V357-E361 PolarHBondContact O-N 3.27Å; V357-C384 HydrophobicContact CG2-CB 4.32Å; V357-L397 HydrophobicContact CG2-CD1 3.94Å
358T93.4Very high95.5Very high47 Ų4725.6 Ų25.629%0.28813%0.133SC..Hα-helixtrans-59.3-50.5-179.8-57.50000110.9P13 Q354 D355 L356 L360 E361P13-T358 HydrophobicContact CB-CG2 4.06Å; P13-T358 VanDerWaalsContact CB-O 3.22Å; P13-T358 WeakPolarHBondContact CB-O 3.04Å; P13-T358 HydrophobicContact CG-CG2 4.19Å; Q354-T358 PolarHBondContact O-N 3.16Å; Q354-T358 PolarHBondContact O-OG1 3.45Å; D355-T358 WeakPolarHBondContact O-CB 3.48Å; D355-T358 PolarHBondContact O-N 3.5Å; L356-T358 VanDerWaalsContact C-N 3.29Å; L356-T358 PolarHBondContact O-N 3.33Å; T358-L360 VanDerWaalsContact C-N 3.27Å; T358-L360 PolarHBondContact O-N 3.45Å; T358-E361 WeakPolarHBondContact O-CB 3.42Å; T358-E361 PolarHBondContact O-N 2.76Å
359R95.7Very high95.2Very high36 Ų3629 Ų2914%0.13614%0.14CC..Hα-helixtrans-70.6-18.7179.168.2169.1167.2104.4-19.9114.6A310 D312 E313 E351 D355 L356 V357 E361 P362A310-R359 VanDerWaalsContact C-NH1 3.32Å; A310-R359 PolarHBondContact O-NH1 3.01Å; D312-R359 PolarHBondContact O-NH1 3.32Å; D312-R359 PolarHBondContact O-NH2 2.85Å; E313-R359 PolarHBondContact O-NH2 3.11Å; E351-R359 WeakPolarHBondContact OE1-CD 3.41Å; E351-R359 IonicContact OE1-CZ 3.83Å; E351-R359 IonicContact OE1-NE 2.86Å; E351-R359 PolarHBondContact OE1-NE 2.72Å; E351-R359 IonicContact OE1-NH2 3.51Å; E351-R359 IonicContact OE2-CZ 3.21Å; E351-R359 IonicContact OE2-NE 2.77Å; E351-R359 PolarHBondContact OE2-NE 3.31Å; E351-R359 IonicContact OE2-NH2 2.85Å; E351-R359 PolarHBondContact OE2-NH2 3.13Å; D355-R359 PolarHBondContact O-N 3.1Å; L356-R359 HydrophobicContact CD1-CG 4.33Å; L356-R359 VanDerWaalsContact O-CG 3.31Å; L356-R359 WeakPolarHBondContact O-CG 3.46Å; L356-R359 PolarHBondContact O-N 3.25Å; V357-R359 PolarHBondContact O-N 3.43Å; R359-E361 VanDerWaalsContact C-N 3.32Å; R359-P362 WeakPolarHBondContact O-CD 3.31Å
360L97.1Very high95Very high0 Ų021.6 Ų21.60%010%0.103CC..Hα-helixtrans-82.8-7.9175.4-76.2174.8000113.4W51 A310 L311 L356 V357 T358 V363 I364 V381 C384 L385W51-L360 HydrophobicContact CH2-CB 3.86Å; W51-L360 HydrophobicContact CZ2-CB 4.17Å; A310-L360 WeakPolarHBondContact O-CD2 3.39Å; L311-L360 HydrophobicContact CD2-CD2 4.07Å; L356-L360 HydrophobicContact CD1-CD1 3.72Å; L356-L360 HydrophobicContact CD1-CG 3.93Å; L356-L360 HydrophobicContact CG-CD1 3.86Å; L356-L360 HydrophobicContact CG-CG 4.45Å; L356-L360 WeakPolarHBondContact O-CB 3.28Å; L356-L360 VanDerWaalsContact O-CG 3.25Å; L356-L360 WeakPolarHBondContact O-CG 3.01Å; L356-L360 PolarHBondContact O-N 3.13Å; V357-L360 PolarHBondContact O-N 2.87Å; T358-L360 VanDerWaalsContact C-N 3.27Å; T358-L360 PolarHBondContact O-N 3.45Å; L360-V363 HydrophobicContact CD2-CB 4.19Å; L360-V363 HydrophobicContact CD2-CG2 3.95Å; L360-V363 WeakPolarHBondContact O-CA 3.26Å; L360-V363 VanDerWaalsContact O-CB 3.32Å; L360-V363 WeakPolarHBondContact O-CB 3.48Å; L360-V363 PolarHBondContact O-N 3.23Å; L360-I364 PolarHBondContact O-N 2.8Å; L360-V381 HydrophobicContact CD1-CG1 4.21Å; L360-V381 HydrophobicContact CD2-CG1 4Å; L360-C384 HydrophobicContact CD1-CB 3.41Å; L360-C384 VanDerWaalsContact CD1-CB 3.41Å; L360-L385 HydrophobicContact CD1-CD2 4.42Å; L360-L385 HydrophobicContact CD2-CD2 4.44Å
361E94.7Very high94.5Very high4 Ų424.4 Ų24.42%0.01912%0.117CC..Hα-helixtrans-53.7-47.5178.8175173.1-134.900112.9L14 Y48 W51 R223 V357 T358 R359 V363 I364 M365L14-E361 PolarHBondContact N-OE2 3.09Å; Y48-E361 HydrophobicContact CE2-CG 4.3Å; Y48-E361 PolarHBondContact OH-OE1 3.1Å; W51-E361 HydrophobicContact CZ3-CB 4.29Å; R223-E361 IonicContact CZ-OE1 2.79Å; R223-E361 IonicContact CZ-OE2 2.72Å; R223-E361 IonicContact NH1-OE1 3.43Å; R223-E361 PolarHBondContact NH1-OE1 3.26Å; R223-E361 IonicContact NH1-OE2 3.4Å; R223-E361 PolarHBondContact NH1-OE2 2.96Å; V357-E361 PolarHBondContact O-N 3.27Å; T358-E361 WeakPolarHBondContact O-CB 3.42Å; T358-E361 PolarHBondContact O-N 2.76Å; R359-E361 VanDerWaalsContact C-N 3.32Å; E361-V363 VanDerWaalsContact C-N 3.26Å; E361-V363 PolarHBondContact O-N 3.16Å; E361-I364 WeakPolarHBondContact O-CB 3.48Å; E361-I364 PolarHBondContact O-N 3.42Å; E361-I364 VanDerWaalsContact O-N 3.15Å; E361-M365 HydrophobicContact CG-CE 4.01Å; E361-M365 VanDerWaalsContact O-CG 3.31Å; E361-M365 WeakPolarHBondContact O-CG 3.33Å; E361-M365 PolarHBondContact O-N 3.21Å
362P93.4Very high94.2Very high8 Ų823.4 Ų23.45%0.05212%0.115CC..Hα-helixtrans-59.3-33.6173.9-25.536.1000114.1I11 R359 M365 E366I11-P362 HydrophobicContact CB-CB 3.9Å; I11-P362 HydrophobicContact CB-CG 4.3Å; I11-P362 HydrophobicContact CG2-CB 3.67Å; I11-P362 HydrophobicContact CG2-CG 3.94Å; R359-P362 WeakPolarHBondContact O-CD 3.31Å; P362-M365 PolarHBondContact O-N 3.45Å; P362-E366 PolarHBondContact O-N 2.88Å
363V96.3Very high94.2Very high0 Ų023.3 Ų23.30%011%0.114CC..Hα-helixtrans-67.1-43.1176.5179.70000110.2W286 W308 A310 L311 L360 E361 M365 E366 L367 L385W286-V363 HydrophobicContact CZ3-CG1 4.25Å; W308-V363 HydrophobicContact CE3-CG2 4.11Å; W308-V363 HydrophobicContact CZ3-CG2 4.42Å; A310-V363 HydrophobicContact CB-CG2 3.78Å; L311-V363 HydrophobicContact CD2-CG1 3.93Å; L311-V363 HydrophobicContact CD2-CG2 4.21Å; L311-V363 HydrophobicContact CG-CG2 4.44Å; L360-V363 HydrophobicContact CD2-CB 4.19Å; L360-V363 HydrophobicContact CD2-CG2 3.95Å; L360-V363 WeakPolarHBondContact O-CA 3.26Å; L360-V363 VanDerWaalsContact O-CB 3.32Å; L360-V363 WeakPolarHBondContact O-CB 3.48Å; L360-V363 PolarHBondContact O-N 3.23Å; E361-V363 VanDerWaalsContact C-N 3.26Å; E361-V363 PolarHBondContact O-N 3.16Å; V363-M365 VanDerWaalsContact C-N 3.32Å; V363-M365 PolarHBondContact O-N 3.1Å; V363-E366 PolarHBondContact O-N 3.18Å; V363-L367 HydrophobicContact CG1-CD1 4.15Å; V363-L367 HydrophobicContact CG1-CG 4.3Å; V363-L367 WeakPolarHBondContact O-CB 3.42Å; V363-L367 VanDerWaalsContact O-CG 3.3Å; V363-L367 WeakPolarHBondContact O-CG 3.45Å; V363-L367 PolarHBondContact O-N 3.33Å; V363-L385 HydrophobicContact CG1-CD2 4.17Å
364I95.2Very high94.3Very high0 Ų022.7 Ų22.70%011%0.112CC..Hα-helixtrans-59.7-44.1174.6-68.2-53.9000111W51 L360 E361 E366 L367 E368 L385 Y388W51-I364 HydrophobicContact CE3-CG1 4.25Å; W51-I364 HydrophobicContact CH2-CB 4.48Å; W51-I364 HydrophobicContact CH2-CD1 4.43Å; W51-I364 HydrophobicContact CH2-CG1 3.45Å; W51-I364 VanDerWaalsContact CH2-CG1 3.45Å; W51-I364 HydrophobicContact CZ2-CD1 4.38Å; W51-I364 HydrophobicContact CZ2-CG1 3.85Å; W51-I364 HydrophobicContact CZ3-CB 4.34Å; W51-I364 HydrophobicContact CZ3-CG1 3.67Å; L360-I364 PolarHBondContact O-N 2.8Å; E361-I364 WeakPolarHBondContact O-CB 3.48Å; E361-I364 PolarHBondContact O-N 3.42Å; E361-I364 VanDerWaalsContact O-N 3.15Å; I364-E366 VanDerWaalsContact C-N 3.34Å; I364-E366 PolarHBondContact O-N 3.05Å; I364-L367 HydrophobicContact CD1-CD1 4.44Å; I364-L367 PolarHBondContact O-N 3.5Å; I364-E368 WeakPolarHBondContact O-CG 3.47Å; I364-E368 PolarHBondContact O-N 2.86Å; I364-L385 HydrophobicContact CD1-CD2 3.6Å; I364-L385 HydrophobicContact CG1-CD2 4.46Å; I364-Y388 HydrophobicContact CD1-CD1 3.55Å; I364-Y388 HydrophobicContact CD1-CD2 4.3Å; I364-Y388 HydrophobicContact CD1-CE1 4.19Å; I364-Y388 HydrophobicContact CD1-CG 3.61Å; I364-Y388 HydrophobicContact CG1-CD1 4.43Å; I364-Y388 HydrophobicContact CG1-CD2 4.42Å; I364-Y388 HydrophobicContact CG1-CG 4.2Å; I364-Y388 HydrophobicContact CG2-CD1 4.12Å; I364-Y388 HydrophobicContact CG2-CD2 3.95Å; I364-Y388 HydrophobicContact CG2-CE1 3.74Å; I364-Y388 HydrophobicContact CG2-CE2 3.56Å; I364-Y388 HydrophobicContact CG2-CG 4.2Å; I364-Y388 VanDerWaalsContact CG2-CZ 3.44Å
365M93.4Very high94.4Very high2 Ų219.8 Ų19.81%0.0110%0.098CC..Hα-helixtrans-60.2-45.6177.7-61.6-66.4154.400111.5Y48 Y226 Y227 N230 E361 P362 V363 E368 R369Y48-M365 HydrophobicContact CD2-CE 3.86Å; Y48-M365 HydrophobicContact CE1-CE 4.13Å; Y48-M365 HydrophobicContact CE2-CE 3.15Å; Y48-M365 WeakPolarHBondContact OH-CE 3.47Å; Y226-M365 HydrophobicContact CD1-CE 4.42Å; Y226-M365 HydrophobicContact CD1-CG 4.39Å; Y226-M365 HydrophobicContact CD1-SD 3.97Å; Y226-M365 HydrophobicContact CE1-CB 4.38Å; Y226-M365 HydrophobicContact CE1-CE 4.44Å; Y226-M365 HydrophobicContact CE1-CG 3.61Å; Y226-M365 HydrophobicContact CE1-SD 3.77Å; Y227-M365 HydrophobicContact CD2-CE 3.69Å; Y227-M365 HydrophobicContact CD2-SD 3.88Å; Y227-M365 HydrophobicContact CG-CE 4.47Å; N230-M365 HydrophobicContact CB-SD 4.4Å; E361-M365 HydrophobicContact CG-CE 4.01Å; E361-M365 VanDerWaalsContact O-CG 3.31Å; E361-M365 WeakPolarHBondContact O-CG 3.33Å; E361-M365 PolarHBondContact O-N 3.21Å; P362-M365 PolarHBondContact O-N 3.45Å; V363-M365 VanDerWaalsContact C-N 3.32Å; V363-M365 PolarHBondContact O-N 3.1Å; M365-E368 PolarHBondContact O-N 3.11Å; M365-R369 WeakPolarHBondContact O-CG 3.4Å; M365-R369 PolarHBondContact O-N 3.2Å
366E93.3Very high94.5Very high54 Ų5418 Ų1825%0.2529%0.088SC..Hα-helixtrans-70.2-39.1-179.7-164.959.2-154.900111.7W286 W308 P362 V363 I364 E368 R369 Q370W286-E366 HydrophobicContact CH2-CB 3.69Å; W286-E366 HydrophobicContact CH2-CG 3.38Å; W286-E366 HydrophobicContact CZ2-CB 4.4Å; W286-E366 HydrophobicContact CZ2-CG 3.6Å; W286-E366 HydrophobicContact CZ3-CB 4.31Å; W286-E366 HydrophobicContact CZ3-CG 4.36Å; W308-E366 HydrophobicContact CH2-CB 4.05Å; W308-E366 HydrophobicContact CH2-CG 4.02Å; W308-E366 HydrophobicContact CZ2-CG 4.11Å; P362-E366 PolarHBondContact O-N 2.88Å; V363-E366 PolarHBondContact O-N 3.18Å; I364-E366 VanDerWaalsContact C-N 3.34Å; I364-E366 PolarHBondContact O-N 3.05Å; E366-E368 VanDerWaalsContact C-N 3.26Å; E366-E368 PolarHBondContact O-N 3.01Å; E366-R369 WeakPolarHBondContact O-CA 3.31Å; E366-R369 WeakPolarHBondContact O-CB 3.36Å; E366-R369 PolarHBondContact O-N 3.32Å; E366-Q370 WeakPolarHBondContact O-CG 3.48Å; E366-Q370 PolarHBondContact O-N 3.42Å; E366-Q370 PolarHBondContact OE1-NE2 3.32Å
367L94.3Very high94.5Very high2 Ų218 Ų181%0.019%0.088CC..Hα-helixtrans-58.5-39.7172.1-77.1178.9000111.4R236 I238 W286 V363 I364 R369 Q370 V373 V375 L385 F389R236-L367 PolarHBondContact NH1-O 3.05Å; I238-L367 HydrophobicContact CD1-CB 4.28Å; I238-L367 HydrophobicContact CD1-CD2 4.39Å; I238-L367 HydrophobicContact CG2-CD2 3.93Å; W286-L367 HydrophobicContact CE3-CD2 4.18Å; W286-L367 HydrophobicContact CH2-CD2 3.96Å; W286-L367 HydrophobicContact CH2-CG 4.29Å; W286-L367 HydrophobicContact CZ3-CD2 3.47Å; W286-L367 VanDerWaalsContact CZ3-CD2 3.47Å; W286-L367 HydrophobicContact CZ3-CG 3.72Å; V363-L367 HydrophobicContact CG1-CD1 4.15Å; V363-L367 HydrophobicContact CG1-CG 4.3Å; V363-L367 WeakPolarHBondContact O-CB 3.42Å; V363-L367 VanDerWaalsContact O-CG 3.3Å; V363-L367 WeakPolarHBondContact O-CG 3.45Å; V363-L367 PolarHBondContact O-N 3.33Å; I364-L367 HydrophobicContact CD1-CD1 4.44Å; I364-L367 PolarHBondContact O-N 3.5Å; L367-R369 PolarHBondContact O-N 2.95Å; L367-R369 VanDerWaalsContact O-N 3.1Å; L367-Q370 PolarHBondContact O-N 2.96Å; L367-V373 HydrophobicContact CD2-CG1 3.74Å; L367-V375 HydrophobicContact CD2-CG2 3.86Å; L367-L385 HydrophobicContact CD1-CD2 4.14Å; L367-F389 HydrophobicContact CB-CZ 4.27Å; L367-F389 HydrophobicContact CD1-CE2 3.88Å; L367-F389 HydrophobicContact CD1-CZ 4.13Å
368E91.9Very high94.6Very high0 Ų017.9 Ų17.90%09%0.088CC..Hα-helixtrans-64.6-12.6176.1-74.3-65.1170.900113.1K44 Y227 N230 I231 R232 R236 I364 M365 E366 Y388K44-E368 VanDerWaalsContact NZ-CD 3.29Å; K44-E368 IonicContact NZ-OE1 3.98Å; K44-E368 PolarHBondContact NZ-OE1 3.02Å; K44-E368 IonicContact NZ-OE2 2.86Å; K44-E368 PolarHBondContact NZ-OE2 3.32Å; Y227-E368 HydrophobicContact CE2-CG 4.3Å; N230-E368 CarbonylContact O-C 3.51Å; I231-E368 HydrophobicContact CG2-CG 4.42Å; R232-E368 PolarHBondContact N-O 2.69Å; R236-E368 PolarHBondContact NH1-O 3Å; R236-E368 VanDerWaalsContact NH2-C 3.27Å; R236-E368 PolarHBondContact NH2-O 3Å; R236-E368 IonicContact NH2-OE2 3.82Å; R236-E368 PolarHBondContact NH2-OE2 3.38Å; I364-E368 WeakPolarHBondContact O-CG 3.47Å; I364-E368 PolarHBondContact O-N 2.86Å; M365-E368 PolarHBondContact O-N 3.11Å; E366-E368 VanDerWaalsContact C-N 3.26Å; E366-E368 PolarHBondContact O-N 3.01Å; E368-Y388 HydrophobicContact CG-CE1 4.5Å; E368-Y388 WeakPolarHBondContact CG-OH 3.28Å; E368-Y388 VanDerWaalsContact OE1-CE1 3.25Å; E368-Y388 WeakPolarHBondContact OE1-CE1 3.15Å; E368-Y388 VanDerWaalsContact OE1-CZ 3.31Å; E368-Y388 PolarHBondContact OE1-OH 3.4Å
369R88.9Confident94.8Very high118 Ų11816.6 Ų16.645%0.4458%0.079SC..Hα-helixtrans-104.6-14.5175.7-58.617380136.6-9.5115.2N230 R232 M365 E366 L367N230-R369 HydrophobicContact CB-CG 4.06Å; N230-R369 WeakPolarHBondContact O-CG 3.12Å; N230-R369 WeakPolarHBondContact OD1-CD 3.3Å; N230-R369 PolarHBondContact OD1-NH1 3.44Å; R232-R369 PolarHBondContact NE-O 3.35Å; R232-R369 PolarHBondContact NH2-O 3.4Å; M365-R369 WeakPolarHBondContact O-CG 3.4Å; M365-R369 PolarHBondContact O-N 3.2Å; E366-R369 WeakPolarHBondContact O-CA 3.31Å; E366-R369 WeakPolarHBondContact O-CB 3.36Å; E366-R369 PolarHBondContact O-N 3.32Å; L367-R369 PolarHBondContact O-N 2.95Å; L367-R369 VanDerWaalsContact O-N 3.1Å
370Q89.6Confident94.9Very high14 Ų1415 Ų157%0.0657%0.074CC..  trans-84151.4-176.4-66.2-44.3-50.600113.4R236 W286 E366 L367 V373R236-Q370 WeakPolarHBondContact CD-O 3.32Å; R236-Q370 PolarHBondContact NH1-O 3.05Å; W286-Q370 HydrophobicContact CH2-CG 3.64Å; W286-Q370 HydrophobicContact CZ2-CG 3.46Å; W286-Q370 VanDerWaalsContact CZ2-CG 3.46Å; E366-Q370 WeakPolarHBondContact O-CG 3.48Å; E366-Q370 PolarHBondContact O-N 3.42Å; E366-Q370 PolarHBondContact OE1-NE2 3.32Å; L367-Q370 PolarHBondContact O-N 2.96Å; Q370-V373 HydrophobicContact CB-CB 3.99Å; Q370-V373 HydrophobicContact CB-CG1 3.74Å; Q370-V373 HydrophobicContact CG-CB 4.2Å; Q370-V373 HydrophobicContact CG-CG1 4.25Å
371T87.6Confident95Very high72 Ų7215 Ų1544%0.4427%0.074SC..SBendtrans-102.5-44.8173.649.70000112.2
372S92.1Very high95.2Very high18 Ų1814.9 Ų14.913%0.1267%0.073CC..EExtended strand (participates in β ladder)trans-129.197.9-177.7-52.30000109.4E281 K284E281-S372 WeakPolarHBondContact O-CB 3.45Å; E281-S372 PolarHBondContact O-OG 2.91Å; E281-S372 VanDerWaalsContact O-OG 3.04Å; K284-S372 PolarHBondContact N-O 3.1Å
373V96.8Very high95.5Very high0 Ų014.6 Ų14.60%07%0.071CC..EExtended strand (participates in β ladder)trans-140.2136.3-178.264.30000111.7I238 Y239 K284 W286 L367 Q370 V375I238-V373 HydrophobicContact CB-CG1 4.35Å; I238-V373 HydrophobicContact CG1-CG1 3.98Å; I238-V373 HydrophobicContact CG2-CG1 4.04Å; Y239-V373 PolarHBondContact N-O 3.29Å; K284-V373 HydrophobicContact CB-CG2 4.43Å; K284-V373 CarbonylContact O-C 3.57Å; K284-V373 WeakPolarHBondContact O-CA 3.09Å; W286-V373 HydrophobicContact CD2-CG2 3.75Å; W286-V373 HydrophobicContact CE3-CG2 4.15Å; W286-V373 HydrophobicContact CG-CG2 4.16Å; W286-V373 HydrophobicContact CH2-CG2 4.3Å; W286-V373 HydrophobicContact CZ2-CG2 3.98Å; W286-V373 HydrophobicContact CZ3-CG2 4.42Å; L367-V373 HydrophobicContact CD2-CG1 3.74Å; Q370-V373 HydrophobicContact CB-CB 3.99Å; Q370-V373 HydrophobicContact CB-CG1 3.74Å; Q370-V373 HydrophobicContact CG-CB 4.2Å; Q370-V373 HydrophobicContact CG-CG1 4.25Å; V373-V375 HydrophobicContact CG2-CG2 4.31Å
374L98.6Very high95.6Very high0 Ų014.6 Ų14.60%07%0.071CC..EExtended strand (participates in β ladder)trans-109.4123.8166.7171.766.9000109.4Y239 T241 L271 M275 L283 K284 V285 W286 I300 I376Y239-L374 CarbonylContact O-C 3.6Å; Y239-L374 WeakPolarHBondContact O-CA 3.41Å; T241-L374 HydrophobicContact CG2-CD1 4.19Å; L271-L374 HydrophobicContact CD2-CD2 4.44Å; M275-L374 HydrophobicContact CE-CB 4.23Å; M275-L374 HydrophobicContact CE-CD2 4.49Å; M275-L374 HydrophobicContact CG-CD2 3.95Å; M275-L374 HydrophobicContact SD-CD1 4.29Å; M275-L374 HydrophobicContact SD-CD2 4.16Å; L283-L374 HydrophobicContact CD1-CB 4.2Å; K284-L374 PolarHBondContact O-N 3.18Å; V285-L374 CarbonylContact C-O 3.49Å; V285-L374 WeakPolarHBondContact CA-O 3.36Å; V285-L374 HydrophobicContact CG2-CB 4.38Å; V285-L374 HydrophobicContact CG2-CD2 4.4Å; W286-L374 PolarHBondContact N-O 2.92Å; I300-L374 HydrophobicContact CD1-CD2 3.35Å; L374-I376 HydrophobicContact CD1-CG1 4.39Å; L374-I376 HydrophobicContact CD2-CD1 3.97Å; L374-I376 HydrophobicContact CD2-CG1 3.95Å; L374-I376 HydrophobicContact CG-CD1 4.45Å; L374-I376 HydrophobicContact CG-CG1 3.89Å
375V98.8Very high95.7Very high1 Ų114.6 Ų14.61%0.0067%0.071CC..EExtended strand (participates in β ladder)trans-104.7117.1172.7-176.40000109Y239 L240 T241 W286 L311 L367 V373 C377 L385Y239-V375 PolarHBondContact O-N 3.49Å; L240-V375 WeakPolarHBondContact CA-O 3.2Å; L240-V375 HydrophobicContact CD1-CB 3.86Å; L240-V375 HydrophobicContact CD1-CG1 3.92Å; T241-V375 PolarHBondContact N-O 3.06Å; W286-V375 HydrophobicContact CE3-CG2 3.89Å; L311-V375 HydrophobicContact CD1-CG1 3.87Å; L311-V375 HydrophobicContact CD2-CG1 3.97Å; L367-V375 HydrophobicContact CD2-CG2 3.86Å; V373-V375 HydrophobicContact CG2-CG2 4.31Å; V375-C377 HydrophobicContact CG1-CB 4.18Å; V375-L385 HydrophobicContact CG1-CD1 4.14Å
376I98.9Very high96Very high0 Ų014.5 Ų14.50%07%0.071CC..EExtended strand (participates in β ladder)trans-107107173.4-46.8-177.3000107.8T241 L271 V285 W286 T287 T293 T296 A297 I300 L374T241-I376 HydrophobicContact CG2-CB 4.45Å; T241-I376 HydrophobicContact CG2-CG1 4.13Å; T241-I376 HydrophobicContact CG2-CG2 4.26Å; T241-I376 WeakPolarHBondContact O-CA 3.32Å; L271-I376 HydrophobicContact CD2-CD1 4Å; V285-I376 HydrophobicContact CG1-CD1 4.21Å; V285-I376 HydrophobicContact CG1-CG1 4.49Å; W286-I376 PolarHBondContact O-N 3Å; T287-I376 WeakPolarHBondContact CA-O 3.25Å; T287-I376 HydrophobicContact CG2-CB 4.29Å; T293-I376 HydrophobicContact CG2-CG2 4.24Å; T293-I376 WeakPolarHBondContact CG2-O 3.44Å; T296-I376 HydrophobicContact CG2-CD1 4.21Å; T296-I376 HydrophobicContact CG2-CG2 3.82Å; A297-I376 HydrophobicContact CB-CD1 3.76Å; I300-I376 HydrophobicContact CD1-CD1 3.73Å; L374-I376 HydrophobicContact CD1-CG1 4.39Å; L374-I376 HydrophobicContact CD2-CD1 3.97Å; L374-I376 HydrophobicContact CD2-CG1 3.95Å; L374-I376 HydrophobicContact CG-CD1 4.45Å; L374-I376 HydrophobicContact CG-CG1 3.89Å
377C98.5Very high96.2Very high0 Ų012 Ų120%06%0.059CC..EExtended strand (participates in β ladder)trans-133.8-145.2-172.665.40000110.7L240 T241 R242 H243 L311 V375 V381L240-C377 VanDerWaalsContact CD1-SG 3.55Å; T241-C377 PolarHBondContact O-N 3.19Å; R242-C377 CarbonylContact C-O 3.6Å; R242-C377 VanDerWaalsContact CA-O 3.3Å; R242-C377 WeakPolarHBondContact CA-O 3.48Å; H243-C377 PolarHBondContact CD2-O 3.36Å; H243-C377 PolarHBondContact N-O 3.42Å; L311-C377 HydrophobicContact CD2-CB 4.45Å; V375-C377 HydrophobicContact CG1-CB 4.18Å; C377-V381 HydrophobicContact CB-CB 4.02Å; C377-V381 HydrophobicContact CB-CG1 3.66Å
378H98.4Very high96.3Very high0 Ų011.9 Ų11.90%06%0.058CC..  trans-128.5-177.9-172.7-49.4-81.9000111.8H243 S288 F290 R292 T293 L311 E313 V381 A382H243-H378 AromaticContact CD2-CE1 3.64Å; H243-H378 AromaticContact CD2-CG 3.94Å; H243-H378 AromaticContact CD2-ND1 2.99Å; H243-H378 PolarHBondContact CD2-ND1 2.88Å; H243-H378 AromaticContact NE2-ND1 3.15Å; H243-H378 PolarHBondContact NE2-ND1 2.8Å; H243-H378 VanDerWaalsContact NE2-ND1 3.15Å; S288-H378 VanDerWaalsContact CB-NE2 3.29Å; S288-H378 WeakPolarHBondContact CB-NE2 3.36Å; S288-H378 PolarHBondContact OG-CE1 2.94Å; S288-H378 PolarHBondContact OG-NE2 3.32Å; F290-H378 AromaticContact CD2-CE1 3.58Å; F290-H378 AromaticContact CD2-NE2 3.51Å; R292-H378 VanDerWaalsContact CZ-CE1 3.41Å; R292-H378 PolarHBondContact NE-CE1 2.84Å; R292-H378 VanDerWaalsContact NE-CE1 3.3Å; R292-H378 PolarHBondContact NE-ND1 2.65Å; R292-H378 VanDerWaalsContact NE-ND1 3.17Å; R292-H378 PolarHBondContact NH2-CE1 3.49Å; R292-H378 PolarHBondContact NH2-ND1 2.87Å; T293-H378 VanDerWaalsContact CG2-CE1 3.42Å; T293-H378 WeakPolarHBondContact CG2-CE1 3.21Å; L311-H378 PolarHBondContact O-CD2 3.01Å; E313-H378 HydrophobicContact CB-CB 3.69Å; E313-H378 HydrophobicContact CG-CB 3.86Å; E313-H378 PolarHBondContact N-CD2 3.38Å; E313-H378 WeakPolarHBondContact OE1-CB 3.45Å; E313-H378 WeakPolarHBondContact OE2-CB 3.47Å; H378-V381 HydrophobicContact CB-CG2 4.44Å; H378-A382 WeakPolarHBondContact O-CB 3.21Å; H378-A382 PolarHBondContact O-N 3.3Å
379Q97.9Very high96.5Very high19 Ų1912 Ų129%0.0896%0.059CC..Hα-helixtrans-67.3-50.6-171.6-174.7173.3-89.900111.7E313 R383 T431E313-Q379 PolarHBondContact OE2-N 3.38Å; Q379-R383 VanDerWaalsContact CD-NH2 3.29Å; Q379-R383 VanDerWaalsContact NE2-NH2 3.13Å; Q379-R383 VanDerWaalsContact O-CG 3.28Å; Q379-R383 WeakPolarHBondContact O-CG 3.18Å; Q379-R383 PolarHBondContact O-N 3.42Å; Q379-R383 VanDerWaalsContact O-N 3.12Å; Q379-T431 PolarHBondContact OE1-OG1 3.1Å; Q379-T431 VanDerWaalsContact OE1-OG1 3.11Å
380A98.3Very high96.8Very high4 Ų48.9 Ų8.93%0.0335%0.049CC..Hα-helixtrans-69.5-39.3-177.700000111.1E313 L314 Y353 L356 R383 C384E313-A380 WeakPolarHBondContact OE1-CB 3.31Å; E313-A380 PolarHBondContact OE1-N 2.63Å; E313-A380 PolarHBondContact OE2-N 3.09Å; L314-A380 HydrophobicContact CB-CB 3.61Å; L314-A380 HydrophobicContact CD1-CB 4.19Å; Y353-A380 HydrophobicContact CE1-CB 3.72Å; L356-A380 HydrophobicContact CD2-CB 3.67Å; A380-R383 WeakPolarHBondContact O-CB 3.21Å; A380-R383 PolarHBondContact O-N 3Å; A380-C384 PolarHBondContact O-N 2.94Å; A380-C384 VanDerWaalsContact O-N 3.08Å; A380-C384 PolarHBondContact O-SG 3.37Å; A380-C384 VanDerWaalsContact O-SG 3.42Å
381V98.7Very high97Very high0 Ų012.6 Ų12.60%07%0.07CC..Hα-helixtrans-59.8-50.7176.6-179.80000111.3L311 D312 L356 L360 C377 H378 R383 C384 L385L311-V381 HydrophobicContact CD2-CG1 3.8Å; D312-V381 WeakPolarHBondContact O-CG2 3.21Å; L356-V381 HydrophobicContact CD1-CG2 4.1Å; L360-V381 HydrophobicContact CD1-CG1 4.21Å; L360-V381 HydrophobicContact CD2-CG1 4Å; C377-V381 HydrophobicContact CB-CB 4.02Å; C377-V381 HydrophobicContact CB-CG1 3.66Å; H378-V381 HydrophobicContact CB-CG2 4.44Å; V381-R383 VanDerWaalsContact C-N 3.29Å; V381-R383 PolarHBondContact O-N 3Å; V381-C384 PolarHBondContact O-N 3.06Å; V381-C384 VanDerWaalsContact O-N 3.13Å; V381-L385 HydrophobicContact CG1-CD1 4.14Å; V381-L385 HydrophobicContact CG1-CG 4.47Å; V381-L385 WeakPolarHBondContact O-CG 3.21Å; V381-L385 PolarHBondContact O-N 3.01Å
382A98.7Very high97.4Very high0 Ų012.6 Ų12.60%06%0.063CC..Hα-helixtrans-61.4-36.8178.400000112.1L240 H378 L385 L386 V402L240-A382 HydrophobicContact CD1-CB 4.48Å; L240-A382 HydrophobicContact CD2-CB 4.24Å; L240-A382 HydrophobicContact CG-CB 4.46Å; H378-A382 WeakPolarHBondContact O-CB 3.21Å; H378-A382 PolarHBondContact O-N 3.3Å; A382-L385 PolarHBondContact O-N 3.37Å; A382-L386 VanDerWaalsContact O-CB 3.29Å; A382-L386 WeakPolarHBondContact O-CB 3.5Å; A382-L386 VanDerWaalsContact O-CG 3.24Å; A382-L386 WeakPolarHBondContact O-CG 3.38Å; A382-L386 PolarHBondContact O-N 3.33Å; A382-V402 HydrophobicContact CB-CB 4.49Å; A382-V402 HydrophobicContact CB-CG1 3.66Å; A382-V402 HydrophobicContact CB-CG2 4.26Å
383R98.6Very high97.6Very high2 Ų215.5 Ų15.51%0.0088%0.078CC..Hα-helixtrans-59.4-46.7173.1-74.3179.6175.2146.414.6111.8Y353 Q379 A380 V381 L386 A387 L397 P398 I400 V402 H432Y353-R383 HydrophobicContact CE1-CB 4.42Å; Y353-R383 PolarHBondContact OH-NH1 3.5Å; Q379-R383 VanDerWaalsContact CD-NH2 3.29Å; Q379-R383 VanDerWaalsContact NE2-NH2 3.13Å; Q379-R383 VanDerWaalsContact O-CG 3.28Å; Q379-R383 WeakPolarHBondContact O-CG 3.18Å; Q379-R383 PolarHBondContact O-N 3.42Å; Q379-R383 VanDerWaalsContact O-N 3.12Å; A380-R383 WeakPolarHBondContact O-CB 3.21Å; A380-R383 PolarHBondContact O-N 3Å; V381-R383 VanDerWaalsContact C-N 3.29Å; V381-R383 PolarHBondContact O-N 3Å; R383-L386 PolarHBondContact O-N 3.03Å; R383-A387 VanDerWaalsContact O-CB 3.29Å; R383-A387 WeakPolarHBondContact O-CB 3.41Å; R383-A387 PolarHBondContact O-N 2.81Å; R383-L397 WeakPolarHBondContact CB-O 3.39Å; R383-P398 PolarHBondContact NE-O 3.29Å; R383-P398 PolarHBondContact NH1-O 3.42Å; R383-I400 HydrophobicContact CB-CB 4.43Å; R383-I400 HydrophobicContact CG-CB 4.03Å; R383-I400 WeakPolarHBondContact CG-O 3.37Å; R383-I400 PolarHBondContact NE-O 2.95Å; R383-V402 HydrophobicContact CG-CG2 3.7Å; R383-H432 PolarHBondContact NH2-ND1 3.34Å
384C98.6Very high97.4Very high0 Ų019.8 Ų19.80%010%0.096CC..Hα-helixtrans-63-43178.7-67.20000112.3W51 L356 V357 L360 A380 V381 A387 Y388W51-C384 PolarHBondContact NE1-O 2.83Å; L356-C384 WeakPolarHBondContact CD2-SG 3.24Å; V357-C384 HydrophobicContact CG2-CB 4.32Å; L360-C384 HydrophobicContact CD1-CB 3.41Å; L360-C384 VanDerWaalsContact CD1-CB 3.41Å; A380-C384 PolarHBondContact O-N 2.94Å; A380-C384 VanDerWaalsContact O-N 3.08Å; A380-C384 PolarHBondContact O-SG 3.37Å; A380-C384 VanDerWaalsContact O-SG 3.42Å; V381-C384 PolarHBondContact O-N 3.06Å; V381-C384 VanDerWaalsContact O-N 3.13Å; C384-A387 PolarHBondContact O-N 3.48Å; C384-Y388 PolarHBondContact O-N 3.09Å
385L98.4Very high97.2Very high1 Ų124.1 Ų24.11%0.00512%0.12CC..Hα-helixtrans-67-45.3177.7-63.2178.9000111.7L240 L311 L360 V363 I364 L367 V375 V381 A382 A387 Y388 F389L240-L385 HydrophobicContact CD1-CD1 3.74Å; L240-L385 HydrophobicContact CD2-CB 4.01Å; L311-L385 HydrophobicContact CD2-CD1 4.39Å; L360-L385 HydrophobicContact CD1-CD2 4.42Å; L360-L385 HydrophobicContact CD2-CD2 4.44Å; V363-L385 HydrophobicContact CG1-CD2 4.17Å; I364-L385 HydrophobicContact CD1-CD2 3.6Å; I364-L385 HydrophobicContact CG1-CD2 4.46Å; L367-L385 HydrophobicContact CD1-CD2 4.14Å; V375-L385 HydrophobicContact CG1-CD1 4.14Å; V381-L385 HydrophobicContact CG1-CD1 4.14Å; V381-L385 HydrophobicContact CG1-CG 4.47Å; V381-L385 WeakPolarHBondContact O-CG 3.21Å; V381-L385 PolarHBondContact O-N 3.01Å; A382-L385 PolarHBondContact O-N 3.37Å; L385-A387 VanDerWaalsContact C-N 3.34Å; L385-A387 PolarHBondContact O-N 3.08Å; L385-Y388 WeakPolarHBondContact O-CB 3.41Å; L385-Y388 PolarHBondContact O-N 2.63Å; L385-F389 VanDerWaalsContact O-CD2 3.22Å; L385-F389 WeakPolarHBondContact O-CD2 3.43Å; L385-F389 PolarHBondContact O-N 3.16Å; L385-F389 VanDerWaalsContact O-N 3.11Å
386L98.2Very high97Very high0 Ų027.8 Ų27.80%014%0.136CC..Hα-helixtrans-62-42175.6-74.3169.9000111.5L240 A382 R383 Y388 F389 E390 I400 V402 F408 L410L240-L386 HydrophobicContact CD2-CD1 4.46Å; L240-L386 HydrophobicContact CD2-CD2 3.95Å; L240-L386 HydrophobicContact CD2-CG 3.73Å; A382-L386 VanDerWaalsContact O-CB 3.29Å; A382-L386 WeakPolarHBondContact O-CB 3.5Å; A382-L386 VanDerWaalsContact O-CG 3.24Å; A382-L386 WeakPolarHBondContact O-CG 3.38Å; A382-L386 PolarHBondContact O-N 3.33Å; R383-L386 PolarHBondContact O-N 3.03Å; L386-Y388 PolarHBondContact O-N 3.38Å; L386-F389 PolarHBondContact O-N 3.16Å; L386-E390 VanDerWaalsContact O-CB 3.29Å; L386-E390 WeakPolarHBondContact O-CB 3.39Å; L386-E390 PolarHBondContact O-N 3.39Å; L386-I400 HydrophobicContact CB-CD1 4.3Å; L386-I400 HydrophobicContact CB-CG2 4.22Å; L386-I400 HydrophobicContact CD1-CG2 3.88Å; L386-V402 HydrophobicContact CD1-CG2 3.76Å; L386-F408 HydrophobicContact CD1-CD1 4.03Å; L386-F408 HydrophobicContact CD1-CE1 3.79Å; L386-F408 HydrophobicContact CD1-CE2 4.37Å; L386-F408 HydrophobicContact CD1-CG 4.42Å; L386-F408 HydrophobicContact CD1-CZ 3.98Å; L386-F408 HydrophobicContact CD2-CB 4.28Å; L386-F408 HydrophobicContact CD2-CD1 3.79Å; L386-F408 HydrophobicContact CD2-CE1 4.33Å; L386-F408 HydrophobicContact CD2-CG 4.1Å; L386-L410 HydrophobicContact CD2-CD1 4.38Å; L386-L410 HydrophobicContact CD2-CD2 3.75Å
387A98Very high97Very high1 Ų128 Ų281%0.00814%0.137CC..Hα-helixtrans-58.7-38.6176.500000112.4R383 C384 L385 D391 K392 L397 I400R383-A387 VanDerWaalsContact O-CB 3.29Å; R383-A387 WeakPolarHBondContact O-CB 3.41Å; R383-A387 PolarHBondContact O-N 2.81Å; C384-A387 PolarHBondContact O-N 3.48Å; L385-A387 VanDerWaalsContact C-N 3.34Å; L385-A387 PolarHBondContact O-N 3.08Å; A387-D391 WeakPolarHBondContact O-CA 3.4Å; A387-D391 PolarHBondContact O-N 2.68Å; A387-K392 HydrophobicContact CB-CB 3.91Å; A387-K392 PolarHBondContact O-N 2.97Å; A387-L397 HydrophobicContact CB-CB 3.78Å; A387-L397 HydrophobicContact CB-CD1 3.5Å; A387-L397 VanDerWaalsContact CB-CD1 3.5Å; A387-L397 HydrophobicContact CB-CG 3.48Å; A387-L397 VanDerWaalsContact CB-CG 3.48Å; A387-I400 HydrophobicContact CB-CD1 3.68Å
388Y97.2Very high96.9Very high0 Ų028 Ų280%014%0.138CC..Hα-helixtrans-63-45.9172.2173.6-98.6000112.4R47 W51 Y227 I364 E368 C384 L385 L386R47-Y388 WeakPolarHBondContact CD-O 3.47Å; R47-Y388 WeakPolarHBondContact CG-O 3.45Å; W51-Y388 HydrophobicContact CB-CD2 4.03Å; W51-Y388 AromaticContact CD2-CD2 3.96Å; W51-Y388 HydrophobicContact CD2-CD2 3.96Å; W51-Y388 HydrophobicContact CD2-CG 4.45Å; W51-Y388 HydrophobicContact CE3-CD2 4.26Å; W51-Y388 AromaticContact CG-CD2 3.84Å; W51-Y388 HydrophobicContact CG-CD2 3.84Å; W51-Y388 HydrophobicContact CG-CG 4.4Å; Y227-Y388 WeakPolarHBondContact CE2-OH 3.36Å; Y227-Y388 PolarHBondContact OH-OH 3.1Å; I364-Y388 HydrophobicContact CD1-CD1 3.55Å; I364-Y388 HydrophobicContact CD1-CD2 4.3Å; I364-Y388 HydrophobicContact CD1-CE1 4.19Å; I364-Y388 HydrophobicContact CD1-CG 3.61Å; I364-Y388 HydrophobicContact CG1-CD1 4.43Å; I364-Y388 HydrophobicContact CG1-CD2 4.42Å; I364-Y388 HydrophobicContact CG1-CG 4.2Å; I364-Y388 HydrophobicContact CG2-CD1 4.12Å; I364-Y388 HydrophobicContact CG2-CD2 3.95Å; I364-Y388 HydrophobicContact CG2-CE1 3.74Å; I364-Y388 HydrophobicContact CG2-CE2 3.56Å; I364-Y388 HydrophobicContact CG2-CG 4.2Å; I364-Y388 VanDerWaalsContact CG2-CZ 3.44Å; E368-Y388 HydrophobicContact CG-CE1 4.5Å; E368-Y388 WeakPolarHBondContact CG-OH 3.28Å; E368-Y388 VanDerWaalsContact OE1-CE1 3.25Å; E368-Y388 WeakPolarHBondContact OE1-CE1 3.15Å; E368-Y388 VanDerWaalsContact OE1-CZ 3.31Å; E368-Y388 PolarHBondContact OE1-OH 3.4Å; C384-Y388 PolarHBondContact O-N 3.09Å; L385-Y388 WeakPolarHBondContact O-CB 3.41Å; L385-Y388 PolarHBondContact O-N 2.63Å; L386-Y388 PolarHBondContact O-N 3.38Å
389F95.3Very high96.9Very high1 Ų129.7 Ų29.70%0.00414%0.144CC..Hα-helixtrans-76.2-35.3-176.7-75.9-73000113.4R47 I238 L367 L385 L386 L410 P412 C417R47-F389 PolarHBondContact NH1-O 3.19Å; I238-F389 HydrophobicContact CD1-CE1 3.77Å; I238-F389 HydrophobicContact CD1-CE2 4.43Å; I238-F389 HydrophobicContact CD1-CZ 3.49Å; I238-F389 VanDerWaalsContact CD1-CZ 3.49Å; L367-F389 HydrophobicContact CB-CZ 4.27Å; L367-F389 HydrophobicContact CD1-CE2 3.88Å; L367-F389 HydrophobicContact CD1-CZ 4.13Å; L385-F389 VanDerWaalsContact O-CD2 3.22Å; L385-F389 WeakPolarHBondContact O-CD2 3.43Å; L385-F389 PolarHBondContact O-N 3.16Å; L385-F389 VanDerWaalsContact O-N 3.11Å; L386-F389 PolarHBondContact O-N 3.16Å; F389-L410 HydrophobicContact CB-CD1 4.29Å; F389-L410 HydrophobicContact CD2-CD1 3.52Å; F389-L410 HydrophobicContact CE2-CD1 4.03Å; F389-L410 HydrophobicContact CG-CD1 3.94Å; F389-P412 HydrophobicContact CD1-CG 4.23Å; F389-P412 HydrophobicContact CE1-CG 4.1Å; F389-C417 HydrophobicContact CB-CB 4.06Å; F389-C417 WeakPolarHBondContact O-CB 3.49Å
390E95.1Very high96.9Very high54 Ų5429.5 Ų29.525%0.25214%0.144SC..Hα-helixtrans-88.60.4-179-66-173.271.900113.7L386 K392 V419L386-E390 VanDerWaalsContact O-CB 3.29Å; L386-E390 WeakPolarHBondContact O-CB 3.39Å; L386-E390 PolarHBondContact O-N 3.39Å; E390-K392 HydrophobicContact CB-CG 3.93Å; E390-K392 PolarHBondContact O-N 3.13Å; E390-V419 HydrophobicContact CG-CG2 3.61Å
391D94.6Very high96.8Very high92 Ų9232.1 Ų32.149%0.49216%0.155SC..THydrogen-bonded Turntrans57.845.4-180-158.118.4000112.5R47 A387R47-D391 HydrophobicContact CG-CB 4.23Å; R47-D391 WeakPolarHBondContact CG-OD1 3.27Å; A387-D391 WeakPolarHBondContact O-CA 3.4Å; A387-D391 PolarHBondContact O-N 2.68Å
392K96.3Very high96.7Very high71 Ų7132.1 Ų32.131%0.30916%0.155SC..  trans-89.8137.9179.2-60.7-56-161.4164.20111A387 E390 E396 I400A387-K392 HydrophobicContact CB-CB 3.91Å; A387-K392 PolarHBondContact O-N 2.97Å; E390-K392 HydrophobicContact CB-CG 3.93Å; E390-K392 PolarHBondContact O-N 3.13Å; K392-E396 HydrophobicContact CB-CB 4.27Å; K392-E396 IonicContact NZ-OE1 2.63Å; K392-E396 PolarHBondContact NZ-OE1 2.65Å; K392-I400 HydrophobicContact CB-CD1 4.11Å; K392-I400 HydrophobicContact CG-CD1 3.94Å
393N94.8Very high96.7Very high80 Ų8033.3 Ų33.343%0.42816%0.163SC..  trans-76171.1177.665.850.1000112.1D395 E396 L397N393-D395 PolarHBondContact O-N 3.39Å; N393-D395 WeakPolarHBondContact OD1-CA 3.32Å; N393-D395 WeakPolarHBondContact OD1-CB 3.49Å; N393-D395 PolarHBondContact OD1-N 3.13Å; N393-E396 PolarHBondContact ND2-OE2 3.4Å; N393-E396 PolarHBondContact O-N 3.36Å; N393-E396 PolarHBondContact OD1-N 2.83Å; N393-L397 WeakPolarHBondContact O-CB 3.43Å; N393-L397 PolarHBondContact O-N 3.34Å
394K94.5Very high96.7Very high90 Ų9033.6 Ų33.639%0.39116%0.164SC..THydrogen-bonded Turntrans-59.4-26.4179.763.9179.6177.1178.90114.7Y343 Y344 P398Y343-K394 HydrophobicContact CD1-CB 3.98Å; Y343-K394 HydrophobicContact CD1-CD 4.48Å; Y343-K394 HydrophobicContact CD2-CB 3.8Å; Y343-K394 HydrophobicContact CE1-CB 4.05Å; Y343-K394 HydrophobicContact CE2-CB 3.88Å; Y343-K394 HydrophobicContact CG-CB 3.85Å; Y344-K394 HydrophobicContact CE2-CD 3.9Å; Y344-K394 VanDerWaalsContact OH-CD 3.3Å; Y344-K394 WeakPolarHBondContact OH-CD 3.18Å; Y344-K394 PolarHBondContact OH-NZ 3.45Å; K394-P398 WeakPolarHBondContact O-CD 3.34Å
395D93.1Very high96.6Very high91 Ų9133.6 Ų33.649%0.48716%0.164SC..THydrogen-bonded Turntrans-80.4-30.8-179-61.8-33.9000111.7N393 Y399N393-D395 PolarHBondContact O-N 3.39Å; N393-D395 WeakPolarHBondContact OD1-CA 3.32Å; N393-D395 WeakPolarHBondContact OD1-CB 3.49Å; N393-D395 PolarHBondContact OD1-N 3.13Å; D395-Y399 WeakPolarHBondContact O-CD2 3.25Å
396E96.1Very high96.7Very high77 Ų7733.8 Ų33.836%0.3617%0.166SC..THydrogen-bonded Turntrans-83.5-38.4175.8-69177.291.300112.5K392 N393 Y399 I400K392-E396 HydrophobicContact CB-CB 4.27Å; K392-E396 IonicContact NZ-OE1 2.63Å; K392-E396 PolarHBondContact NZ-OE1 2.65Å; N393-E396 PolarHBondContact ND2-OE2 3.4Å; N393-E396 PolarHBondContact O-N 3.36Å; N393-E396 PolarHBondContact OD1-N 2.83Å; E396-Y399 CarbonylContact O-C 3.57Å; E396-Y399 WeakPolarHBondContact O-CA 3.5Å; E396-Y399 PolarHBondContact O-N 2.86Å; E396-I400 PolarHBondContact O-N 2.63Å
397L97.3Very high96.7Very high4 Ų433.8 Ų33.82%0.02117%0.166CC..G310 helixtrans-50.1-49.5-170.3175.8167.8000113.8Y343 Y353 V357 R383 A387 N393 Y399 I400Y343-L397 HydrophobicContact CD2-CD2 4.42Å; Y343-L397 HydrophobicContact CE2-CD1 4.19Å; Y353-L397 HydrophobicContact CD1-CD2 3.42Å; Y353-L397 VanDerWaalsContact CD1-CD2 3.42Å; Y353-L397 HydrophobicContact CE1-CD2 3.97Å; Y353-L397 HydrophobicContact CG-CD2 4.14Å; V357-L397 HydrophobicContact CG2-CD1 3.94Å; R383-L397 WeakPolarHBondContact CB-O 3.39Å; A387-L397 HydrophobicContact CB-CB 3.78Å; A387-L397 HydrophobicContact CB-CD1 3.5Å; A387-L397 VanDerWaalsContact CB-CD1 3.5Å; A387-L397 HydrophobicContact CB-CG 3.48Å; A387-L397 VanDerWaalsContact CB-CG 3.48Å; N393-L397 WeakPolarHBondContact O-CB 3.43Å; N393-L397 PolarHBondContact O-N 3.34Å; L397-Y399 PolarHBondContact O-N 3.02Å; L397-I400 PolarHBondContact O-N 3.34Å
398P97.7Very high96.7Very high1 Ų133.8 Ų33.81%0.00617%0.166CC..G310 helixtrans-65.8-7.9-178.8-23.335.4000114.9K342 Y343 Y353 R383 K394K342-P398 HydrophobicContact CB-CB 4.06Å; K342-P398 HydrophobicContact CB-CG 4.42Å; K342-P398 HydrophobicContact CD-CB 3.67Å; K342-P398 HydrophobicContact CG-CB 3.8Å; K342-P398 PolarHBondContact NZ-O 2.81Å; Y343-P398 HydrophobicContact CD2-CG 4.21Å; Y353-P398 HydrophobicContact CD2-CB 3.92Å; Y353-P398 HydrophobicContact CD2-CG 4.08Å; Y353-P398 HydrophobicContact CE1-CB 4.44Å; Y353-P398 HydrophobicContact CE2-CB 3.74Å; Y353-P398 HydrophobicContact CE2-CG 4.41Å; Y353-P398 HydrophobicContact CG-CB 4.33Å; Y353-P398 HydrophobicContact CG-CG 4.16Å; R383-P398 PolarHBondContact NE-O 3.29Å; R383-P398 PolarHBondContact NH1-O 3.42Å; K394-P398 WeakPolarHBondContact O-CD 3.34Å
399Y97Very high96.7Very high36 Ų3635.2 Ų35.214%0.14117%0.172CC..G310 helixtrans-120.87.5-173.8-57.4-74.8000113.2K342 D395 E396 L397 H401 H432 K435K342-Y399 HydrophobicContact CB-CE2 4.32Å; K342-Y399 WeakPolarHBondContact CB-OH 3.48Å; K342-Y399 HydrophobicContact CD-CD1 4.37Å; K342-Y399 HydrophobicContact CD-CE1 3.61Å; K342-Y399 HydrophobicContact CD-CE2 4.28Å; D395-Y399 WeakPolarHBondContact O-CD2 3.25Å; E396-Y399 CarbonylContact O-C 3.57Å; E396-Y399 WeakPolarHBondContact O-CA 3.5Å; E396-Y399 PolarHBondContact O-N 2.86Å; L397-Y399 PolarHBondContact O-N 3.02Å; Y399-H401 PolarHBondContact O-N 3.08Å; Y399-H432 PolarHBondContact O-CE1 3.47Å; Y399-K435 HydrophobicContact CD1-CB 3.75Å; Y399-K435 HydrophobicContact CD1-CG 4.45Å; Y399-K435 HydrophobicContact CD2-CB 4.23Å; Y399-K435 HydrophobicContact CD2-CD 4.11Å; Y399-K435 HydrophobicContact CD2-CG 4.35Å; Y399-K435 VanDerWaalsContact CE1-CA 3.43Å; Y399-K435 HydrophobicContact CE1-CB 3.66Å; Y399-K435 HydrophobicContact CE1-CG 3.96Å; Y399-K435 HydrophobicContact CE2-CB 4.14Å; Y399-K435 HydrophobicContact CE2-CD 3.74Å; Y399-K435 HydrophobicContact CE2-CG 3.84Å; Y399-K435 HydrophobicContact CG-CB 4.03Å
400I97.8Very high96.8Very high15 Ų1535.1 Ų35.18%0.07717%0.172CC..  trans-58.9129.3171.2-65169.2000109.1R383 L386 A387 K392 E396 L397 V402R383-I400 HydrophobicContact CB-CB 4.43Å; R383-I400 HydrophobicContact CG-CB 4.03Å; R383-I400 WeakPolarHBondContact CG-O 3.37Å; R383-I400 PolarHBondContact NE-O 2.95Å; L386-I400 HydrophobicContact CB-CD1 4.3Å; L386-I400 HydrophobicContact CB-CG2 4.22Å; L386-I400 HydrophobicContact CD1-CG2 3.88Å; A387-I400 HydrophobicContact CB-CD1 3.68Å; K392-I400 HydrophobicContact CB-CD1 4.11Å; K392-I400 HydrophobicContact CG-CD1 3.94Å; E396-I400 PolarHBondContact O-N 2.63Å; L397-I400 PolarHBondContact O-N 3.34Å; I400-V402 HydrophobicContact CG2-CG2 4.1Å; I400-V402 PolarHBondContact O-N 2.86Å
401H96.9Very high96.7Very high59 Ų5934 Ų3427%0.27317%0.168SC..  trans-73.5117.6177.1-176.9-125000109.6Y399 E430 H432Y399-H401 PolarHBondContact O-N 3.08Å; H401-E430 IonicContact CE1-OE2 2.82Å; H401-E430 IonicContact NE2-OE1 2.68Å; H401-E430 IonicContact NE2-OE2 3.96Å; H401-E430 PolarHBondContact NE2-OE2 3.4Å; H401-H432 VanDerWaalsContact CD2-CB 3.44Å; H401-H432 WeakPolarHBondContact CD2-CB 3.38Å; H401-H432 AromaticContact CD2-CD2 3.84Å; H401-H432 AromaticContact CD2-CG 3.46Å; H401-H432 VanDerWaalsContact CD2-CG 3.46Å; H401-H432 AromaticContact CD2-ND1 3.99Å
402V97.6Very high96.4Very high0 Ų030.1 Ų30.10%015%0.148CC..  trans-128.379.9178.9-168.70000108.3R242 A382 R383 L386 I400 F408R242-V402 WeakPolarHBondContact CD-O 3.32Å; R242-V402 HydrophobicContact CG-CG1 3.76Å; R242-V402 PolarHBondContact NH1-O 3.2Å; A382-V402 HydrophobicContact CB-CB 4.49Å; A382-V402 HydrophobicContact CB-CG1 3.66Å; A382-V402 HydrophobicContact CB-CG2 4.26Å; R383-V402 HydrophobicContact CG-CG2 3.7Å; L386-V402 HydrophobicContact CD1-CG2 3.76Å; I400-V402 HydrophobicContact CG2-CG2 4.1Å; I400-V402 PolarHBondContact O-N 2.86Å; V402-F408 HydrophobicContact CG1-CE2 3.75Å; V402-F408 HydrophobicContact CG1-CZ 4.11Å
403P97.2Very high95.7Very high25 Ų2529.1 Ų29.116%0.16215%0.148CC..  trans-65.8152.5-177.225.5-31.4000111.3T406P403-T406 HydrophobicContact CG-CG2 4.25Å
404L98.1Very high94.6Very high7 Ų726.7 Ų26.74%0.03714%0.139CC..THydrogen-bonded Turntrans-61.8159167.9-75169000110.5R242 H243 E245 N249 T406 A428 V429R242-L404 HydrophobicContact CB-CD2 4.3Å; H243-L404 WeakPolarHBondContact O-CD2 3.33Å; E245-L404 HydrophobicContact CB-CD1 4.15Å; E245-L404 HydrophobicContact CG-CD1 4.26Å; N249-L404 HydrophobicContact CB-CD1 4.41Å; L404-T406 PolarHBondContact O-N 3.17Å; L404-T406 VanDerWaalsContact O-N 3.14Å; L404-T406 PolarHBondContact O-OG1 2.86Å; L404-A428 HydrophobicContact CB-CB 3.6Å; L404-A428 HydrophobicContact CD1-CB 4.05Å; L404-A428 HydrophobicContact CG-CB 4.48Å; L404-V429 HydrophobicContact CD1-CG2 4.11Å
405H98.5Very high93.7Very high0 Ų028.1 Ų28.10%014%0.143CC..THydrogen-bonded Turntrans57.629.7173.6-55.9171.7000115.2E245 R263 Y267 L424 V426 P427E245-H405 WeakPolarHBondContact CB-NE2 3.39Å; E245-H405 PolarHBondContact N-NE2 2.79Å; R263-H405 PolarHBondContact O-CE1 3.22Å; Y267-H405 WeakPolarHBondContact CB-CD2 3.44Å; Y267-H405 WeakPolarHBondContact CB-NE2 3.38Å; Y267-H405 AromaticContact CD1-CD2 3.62Å; Y267-H405 VanDerWaalsContact CD2-CA 3.41Å; Y267-H405 HydrophobicContact CD2-CB 3.48Å; Y267-H405 VanDerWaalsContact CD2-CB 3.48Å; Y267-H405 AromaticContact CD2-CD2 3.75Å; Y267-H405 AromaticContact CD2-CG 3.69Å; Y267-H405 VanDerWaalsContact CE2-C 3.4Å; Y267-H405 HydrophobicContact CE2-CB 3.91Å; Y267-H405 HydrophobicContact CG-CB 3.98Å; Y267-H405 AromaticContact CG-CD2 3.25Å; Y267-H405 AromaticContact CG-CG 3.65Å; Y267-H405 AromaticContact CG-NE2 3.93Å; H405-L424 PolarHBondContact O-N 3.36Å; H405-L424 VanDerWaalsContact O-N 3.08Å; H405-V426 HydrophobicContact CB-CB 4.42Å; H405-V426 WeakPolarHBondContact ND1-CB 3.48Å; H405-V426 WeakPolarHBondContact ND1-CG1 3.4Å; H405-V426 PolarHBondContact ND1-O 2.84Å; H405-P427 PolarHBondContact CE1-O 3.27Å; H405-P427 VanDerWaalsContact CE1-O 3.29Å; H405-P427 PolarHBondContact ND1-O 3.01Å
406T98.7Very high93.4Very high6 Ų631.7 Ų31.74%0.03715%0.15CC..EExtended strand (participates in β ladder)trans-128.4131.6-177.7-57.30000109.9T241 P403 L404 F408 R421 V422T241-T406 PolarHBondContact OG1-O 3.34Å; P403-T406 HydrophobicContact CG-CG2 4.25Å; L404-T406 PolarHBondContact O-N 3.17Å; L404-T406 VanDerWaalsContact O-N 3.14Å; L404-T406 PolarHBondContact O-OG1 2.86Å; T406-F408 HydrophobicContact CG2-CE2 4.36Å; T406-R421 HydrophobicContact CG2-CB 4.19Å; T406-V422 WeakPolarHBondContact CA-O 3.46Å
407V98.7Very high93.2Very high0 Ų028.7 Ų28.70%014%0.137CC..EExtended strand (participates in β ladder)trans-99.9132.7174.7-174.80000109Y239 L271 F274 V422 L424Y239-V407 HydrophobicContact CD1-CG1 4.15Å; L271-V407 HydrophobicContact CD1-CG2 3.51Å; F274-V407 HydrophobicContact CD1-CG2 4.25Å; F274-V407 HydrophobicContact CE1-CB 4.23Å; F274-V407 HydrophobicContact CE1-CG1 3.86Å; F274-V407 HydrophobicContact CE1-CG2 4.3Å; V407-V422 HydrophobicContact CB-CB 4.47Å; V407-V422 PolarHBondContact N-O 3.08Å; V407-V422 PolarHBondContact O-N 3.42Å; V407-L424 HydrophobicContact CG2-CD1 4.03Å; V407-L424 HydrophobicContact CG2-CD2 4.46Å; V407-L424 HydrophobicContact CG2-CG 4.23Å
408F98.6Very high93Very high0 Ų031.8 Ų31.80%015%0.153CC..EExtended strand (participates in β ladder)trans-98.9118.1172.1-64.3-100.6000108.3Y239 L240 L386 V402 T406 L410 V419 E420 R421Y239-F408 WeakPolarHBondContact CA-O 3.37Å; L240-F408 HydrophobicContact CB-CB 4.25Å; L240-F408 PolarHBondContact N-O 3.42Å; L240-F408 PolarHBondContact O-N 2.92Å; L386-F408 HydrophobicContact CD1-CD1 4.03Å; L386-F408 HydrophobicContact CD1-CE1 3.79Å; L386-F408 HydrophobicContact CD1-CE2 4.37Å; L386-F408 HydrophobicContact CD1-CG 4.42Å; L386-F408 HydrophobicContact CD1-CZ 3.98Å; L386-F408 HydrophobicContact CD2-CB 4.28Å; L386-F408 HydrophobicContact CD2-CD1 3.79Å; L386-F408 HydrophobicContact CD2-CE1 4.33Å; L386-F408 HydrophobicContact CD2-CG 4.1Å; V402-F408 HydrophobicContact CG1-CE2 3.75Å; V402-F408 HydrophobicContact CG1-CZ 4.11Å; T406-F408 HydrophobicContact CG2-CE2 4.36Å; F408-L410 HydrophobicContact CB-CD2 4.15Å; F408-V419 HydrophobicContact CD1-CG1 3.9Å; F408-E420 CarbonylContact C-O 3.59Å; F408-E420 WeakPolarHBondContact CA-O 3.15Å; F408-R421 HydrophobicContact CD1-CG 3.87Å; F408-R421 HydrophobicContact CE1-CG 3.76Å
409K97.7Very high92.9Very high30 Ų3033.5 Ų33.513%0.1316%0.163CC..EExtended strand (participates in β ladder)trans-92.8113.8169.2-52.3178.668.6162.50107.8T237 Y239 F274 E278 V419 E420 V422T237-K409 HydrophobicContact CG2-CB 4.01Å; Y239-K409 HydrophobicContact CD1-CG 3.99Å; Y239-K409 HydrophobicContact CE1-CD 4.13Å; Y239-K409 HydrophobicContact CE1-CG 3.84Å; F274-K409 HydrophobicContact CZ-CD 4.19Å; F274-K409 HydrophobicContact CZ-CG 4.49Å; E278-K409 IonicContact OE1-NZ 3.55Å; E278-K409 PolarHBondContact OE1-NZ 2.97Å; E278-K409 VanDerWaalsContact OE2-CE 3.31Å; E278-K409 WeakPolarHBondContact OE2-CE 3.41Å; E278-K409 IonicContact OE2-NZ 3.66Å; E278-K409 PolarHBondContact OE2-NZ 3.45Å; K409-V419 WeakPolarHBondContact O-CA 3.23Å; K409-E420 HydrophobicContact CB-CB 4.17Å; K409-E420 PolarHBondContact N-O 2.99Å; K409-E420 PolarHBondContact O-N 3.46Å; K409-V422 HydrophobicContact CD-CG2 4.02Å; K409-V422 HydrophobicContact CG-CG2 4.24Å
410L96Very high93Very high0 Ų036.3 Ų36.30%018%0.178CC..EExtended strand (participates in β ladder)trans-105.2112.8-177.3-51.4179.1000108.2T237 I238 L240 L386 F389 F408 P412 I418 V419T237-L410 CarbonylContact C-O 3.58Å; T237-L410 WeakPolarHBondContact CA-O 3.44Å; I238-L410 HydrophobicContact CB-CB 4.21Å; I238-L410 HydrophobicContact CG2-CD1 4.34Å; I238-L410 PolarHBondContact N-O 2.94Å; I238-L410 WeakPolarHBondContact O-CB 3.38Å; I238-L410 PolarHBondContact O-N 2.62Å; L240-L410 HydrophobicContact CB-CD1 4.2Å; L240-L410 HydrophobicContact CD2-CD1 4.3Å; L386-L410 HydrophobicContact CD2-CD1 4.38Å; L386-L410 HydrophobicContact CD2-CD2 3.75Å; F389-L410 HydrophobicContact CB-CD1 4.29Å; F389-L410 HydrophobicContact CD2-CD1 3.52Å; F389-L410 HydrophobicContact CE2-CD1 4.03Å; F389-L410 HydrophobicContact CG-CD1 3.94Å; F408-L410 HydrophobicContact CB-CD2 4.15Å; L410-P412 WeakPolarHBondContact O-CD 3.46Å; L410-I418 WeakPolarHBondContact CA-O 3.14Å; L410-V419 HydrophobicContact CD2-CB 4.18Å; L410-V419 HydrophobicContact CD2-CG1 3.79Å; L410-V419 HydrophobicContact CD2-CG2 3.62Å
411T92.7Very high93Very high30 Ų3041.8 Ų41.818%0.18420%0.197CC..EExtended strand (participates in β ladder)trans-114.593.8178.6-53.80000109T413 C417 I418T411-T413 PolarHBondContact O-N 3.32Å; T411-C417 PolarHBondContact N-SG 2.91Å; T411-I418 PolarHBondContact N-O 3.26Å; T411-I418 PolarHBondContact O-N 3.4Å
412P88.3Confident93Very high11 Ų1141 Ų417%0.07120%0.196CC..EExtended strand (participates in β ladder)trans-61132.6176.1-22.734.5000111.1R236 F389 L410R236-P412 WeakPolarHBondContact O-CD 3.29Å; F389-P412 HydrophobicContact CD1-CG 4.23Å; F389-P412 HydrophobicContact CE1-CG 4.1Å; L410-P412 WeakPolarHBondContact O-CD 3.46Å
413T81.7Confident93Very high49 Ų4947.4 Ų47.430%0.30122%0.224SC..  trans-122.8178.6172.772.20000109.9T411 Y415 R416 I418T411-T413 PolarHBondContact O-N 3.32Å; T413-Y415 PolarHBondContact O-N 2.97Å; T413-Y415 VanDerWaalsContact O-N 3.15Å; T413-R416 WeakPolarHBondContact CA-O 3.41Å; T413-R416 WeakPolarHBondContact CB-O 3.33Å; T413-R416 PolarHBondContact N-O 2.59Å; T413-R416 PolarHBondContact OG1-N 2.95Å; T413-R416 PolarHBondContact OG1-O 3.32Å; T413-I418 HydrophobicContact CG2-CD1 3.9Å; T413-I418 HydrophobicContact CG2-CG1 4.12Å
414A72.2Confident93.1Very high29 Ų2947 Ų4724%0.2422%0.22CC..SBendtrans-54.6-36.1-176.200000114.1V158V158-A414 HydrophobicContact CG2-CB 4.28Å
415Y76.5Confident92.9Very high120 Ų12052.6 Ų52.647%0.47125%0.251SS..SBendtrans-117.3-26.8-173.8-57.7-70.4000114R47 V158 T413R47-Y415 PolarHBondContact NH2-O 3.44Å; V158-Y415 HydrophobicContact CG1-CE2 3.73Å; V158-Y415 WeakPolarHBondContact CG1-OH 3.4Å; T413-Y415 PolarHBondContact O-N 2.97Å; T413-Y415 VanDerWaalsContact O-N 3.15Å
416R86.1Confident92.9Very high167 Ų16752.8 Ų52.863%0.6325%0.251SS*.  trans-145.6166.4-176.767.6177.5-176.4177.91.7112.1T413T413-R416 WeakPolarHBondContact CA-O 3.41Å; T413-R416 WeakPolarHBondContact CB-O 3.33Å; T413-R416 PolarHBondContact N-O 2.59Å; T413-R416 PolarHBondContact OG1-N 2.95Å; T413-R416 PolarHBondContact OG1-O 3.32Å
417C91.2Very high92.8Very high14 Ų1456.8 Ų56.810%0.09528%0.278CS..EExtended strand (participates in β ladder)trans-93.6130.5161.4-165.30000109.1F389 T411 V419F389-C417 HydrophobicContact CB-CB 4.06Å; F389-C417 WeakPolarHBondContact O-CB 3.49Å; T411-C417 PolarHBondContact N-SG 2.91Å; C417-V419 HydrophobicContact CB-CG2 4.49Å
418I93.3Very high92.7Very high69 Ų6958.4 Ų58.435%0.35429%0.291SS..EExtended strand (participates in β ladder)trans-78.7130.6165.5-59.4169.8000106.4L410 T411 T413 E420L410-I418 WeakPolarHBondContact CA-O 3.14Å; T411-I418 PolarHBondContact N-O 3.26Å; T411-I418 PolarHBondContact O-N 3.4Å; T413-I418 HydrophobicContact CG2-CD1 3.9Å; T413-I418 HydrophobicContact CG2-CG1 4.12Å; I418-E420 HydrophobicContact CG2-CG 4.39Å
419V96.4Very high92.5Very high37 Ų3758.9 Ų58.922%0.22429%0.294CS..EExtended strand (participates in β ladder)trans-122.4110.1-179.2-179.60000108.8E390 F408 K409 L410 C417E390-V419 HydrophobicContact CG-CG2 3.61Å; F408-V419 HydrophobicContact CD1-CG1 3.9Å; K409-V419 WeakPolarHBondContact O-CA 3.23Å; L410-V419 HydrophobicContact CD2-CB 4.18Å; L410-V419 HydrophobicContact CD2-CG1 3.79Å; L410-V419 HydrophobicContact CD2-CG2 3.62Å; C417-V419 HydrophobicContact CB-CG2 4.49Å
420E97.9Very high92.3Very high95 Ų9560.6 Ų60.644%0.44430%0.302SS..EExtended strand (participates in β ladder)trans-100.8133.7173.2-57.2171.2-106.500109.2F408 K409 I418F408-E420 CarbonylContact C-O 3.59Å; F408-E420 WeakPolarHBondContact CA-O 3.15Å; K409-E420 HydrophobicContact CB-CB 4.17Å; K409-E420 PolarHBondContact N-O 2.99Å; K409-E420 PolarHBondContact O-N 3.46Å; I418-E420 HydrophobicContact CG2-CG 4.39Å
421R97.9Very high92.2Very high130 Ų13061.8 Ų61.849%0.49131%0.31SS..EExtended strand (participates in β ladder)trans-107.7110.1179.5-59.3-177.6-174.5-173.7-0.7109.3T406 F408T406-R421 HydrophobicContact CG2-CB 4.19Å; F408-R421 HydrophobicContact CD1-CG 3.87Å; F408-R421 HydrophobicContact CE1-CG 3.76Å
422V98.3Very high92.2Very high41 Ų4161.9 Ų61.925%0.24831%0.308CS..EExtended strand (participates in β ladder)trans-106.3103.2-177.6-169.40000109.2F274 T406 V407 K409 L424F274-V422 HydrophobicContact CD2-CG1 4.31Å; F274-V422 HydrophobicContact CE2-CB 4.37Å; F274-V422 HydrophobicContact CE2-CG1 3.83Å; F274-V422 HydrophobicContact CE2-CG2 4.4Å; F274-V422 HydrophobicContact CZ-CB 4.48Å; F274-V422 HydrophobicContact CZ-CG1 4.4Å; F274-V422 HydrophobicContact CZ-CG2 4.34Å; T406-V422 WeakPolarHBondContact CA-O 3.46Å; V407-V422 HydrophobicContact CB-CB 4.47Å; V407-V422 PolarHBondContact N-O 3.08Å; V407-V422 PolarHBondContact O-N 3.42Å; K409-V422 HydrophobicContact CD-CG2 4.02Å; K409-V422 HydrophobicContact CG-CG2 4.24Å; V422-L424 HydrophobicContact CG1-CD2 3.96Å
423K97.8Very high92.3Very high136 Ų13661.5 Ų61.559%0.59131%0.305SS*.EExtended strand (participates in β ladder)trans-80123.3174.5-171.9172.8-177.1175.50109.4N425K423-N425 PolarHBondContact O-N 3.45Å; K423-N425 VanDerWaalsContact O-N 3.12Å
424L98Very high92.8Very high15 Ų1564.9 Ų64.98%0.07932%0.319CS..  trans-84.121.4-175.7-57-168.7000113.9Y267 K270 L271 F274 H405 V407 V422 V426Y267-L424 HydrophobicContact CD2-CB 4.16Å; Y267-L424 HydrophobicContact CD2-CD1 4.12Å; Y267-L424 HydrophobicContact CD2-CG 4.47Å; Y267-L424 HydrophobicContact CE2-CB 4.03Å; Y267-L424 HydrophobicContact CE2-CD1 3.51Å; Y267-L424 HydrophobicContact CE2-CG 3.87Å; K270-L424 HydrophobicContact CB-CB 4.27Å; K270-L424 HydrophobicContact CB-CD1 4.32Å; K270-L424 WeakPolarHBondContact CD-O 3.23Å; K270-L424 PolarHBondContact NZ-O 2.86Å; L271-L424 VanDerWaalsContact CA-CD1 3.45Å; L271-L424 HydrophobicContact CB-CD1 3.98Å; L271-L424 HydrophobicContact CD1-CD1 4.18Å; F274-L424 HydrophobicContact CB-CD1 4.12Å; F274-L424 HydrophobicContact CB-CD2 4.01Å; F274-L424 HydrophobicContact CD2-CD2 3.97Å; F274-L424 HydrophobicContact CG-CD2 3.93Å; H405-L424 PolarHBondContact O-N 3.36Å; H405-L424 VanDerWaalsContact O-N 3.08Å; V407-L424 HydrophobicContact CG2-CD1 4.03Å; V407-L424 HydrophobicContact CG2-CD2 4.46Å; V407-L424 HydrophobicContact CG2-CG 4.23Å; V422-L424 HydrophobicContact CG1-CD2 3.96Å; L424-V426 VanDerWaalsContact C-N 3.3Å; L424-V426 PolarHBondContact O-N 3.26Å
425N94.9Very high93.8Very high126 Ų12669.4 Ų69.467%0.67433%0.333SS*.SBendtrans50.246.4175.7-61.1-32.2000113.5K270 K423K270-N425 PolarHBondContact NZ-O 3.29Å; K423-N425 PolarHBondContact O-N 3.45Å; K423-N425 VanDerWaalsContact O-N 3.12Å
426V97.7Very high94.5Very high3 Ų364.3 Ų64.32%0.01832%0.315CS..  trans-119.7122.1166.8-174.90000107R263 L266 K270 H405 L424R263-V426 HydrophobicContact CB-CG1 4.22Å; R263-V426 WeakPolarHBondContact O-CG1 3.35Å; L266-V426 HydrophobicContact CB-CG1 4.26Å; L266-V426 HydrophobicContact CD2-CG1 4.03Å; L266-V426 HydrophobicContact CD2-CG2 4.32Å; L266-V426 HydrophobicContact CG-CG1 4.16Å; L266-V426 HydrophobicContact CG-CG2 4.01Å; K270-V426 HydrophobicContact CD-CG2 3.59Å; K270-V426 HydrophobicContact CG-CG2 4.3Å; H405-V426 HydrophobicContact CB-CB 4.42Å; H405-V426 WeakPolarHBondContact ND1-CB 3.48Å; H405-V426 WeakPolarHBondContact ND1-CG1 3.4Å; H405-V426 PolarHBondContact ND1-O 2.84Å; L424-V426 VanDerWaalsContact C-N 3.3Å; L424-V426 PolarHBondContact O-N 3.26Å
427P96.3Very high94.6Very high90 Ų9065.2 Ų65.258%0.58433%0.326SS*.  trans-56147.4175.8-23.633.9000111.4R263 H405R263-P427 WeakPolarHBondContact CD-O 3.42Å; H405-P427 PolarHBondContact CE1-O 3.27Å; H405-P427 VanDerWaalsContact CE1-O 3.29Å; H405-P427 PolarHBondContact ND1-O 3.01Å
428A96.4Very high94.4Very high34 Ų3467.2 Ų67.228%0.28134%0.336SS..  trans-151.8158.8173.100000109.1E245 L404E245-A428 VanDerWaalsContact OE2-CA 3.24Å; E245-A428 WeakPolarHBondContact OE2-CA 3.18Å; L404-A428 HydrophobicContact CB-CB 3.6Å; L404-A428 HydrophobicContact CD1-CB 4.05Å; L404-A428 HydrophobicContact CG-CB 4.48Å
429V95.2Very high94Very high11 Ų1166.1 Ų66.17%0.06733%0.332CS..  trans-63148.8168.2-62.40000111.8E245 N249 L404 T431 Y456E245-V429 HydrophobicContact CG-CG2 4.41Å; E245-V429 PolarHBondContact OE2-N 2.94Å; N249-V429 HydrophobicContact CB-CG2 3.93Å; L404-V429 HydrophobicContact CD1-CG2 4.11Å; V429-T431 HydrophobicContact CG2-CG2 4.05Å; V429-Y456 HydrophobicContact CB-CD2 4.02Å; V429-Y456 HydrophobicContact CB-CE2 4.45Å; V429-Y456 HydrophobicContact CG1-CD2 3.9Å; V429-Y456 HydrophobicContact CG1-CG 4.45Å
430E94.1Very high93.5Very high65 Ų6571.9 Ų71.930%0.30435%0.354SS..  trans-84131169.6-177.654.6-87.200109.5H401 H432 P453 Y456H401-E430 IonicContact CE1-OE2 2.82Å; H401-E430 IonicContact NE2-OE1 2.68Å; H401-E430 IonicContact NE2-OE2 3.96Å; H401-E430 PolarHBondContact NE2-OE2 3.4Å; E430-H432 WeakPolarHBondContact OE1-CB 3.28Å; E430-H432 PolarHBondContact OE1-N 2.96Å; E430-P453 HydrophobicContact CG-CB 4.47Å; E430-P453 HydrophobicContact CG-CG 4.44Å; E430-P453 WeakPolarHBondContact O-CB 3.42Å; E430-Y456 HydrophobicContact CB-CE2 4.39Å
431T92.9Very high92.5Very high25 Ų2570.5 Ų70.515%0.15336%0.356CS..  trans-123.7-0.1-176.849.50000112.1R242 Q379 V429 R433R242-T431 PolarHBondContact NH1-OG1 3.05Å; R242-T431 PolarHBondContact NH2-OG1 3.23Å; R242-T431 VanDerWaalsContact NH2-OG1 3.13Å; Q379-T431 PolarHBondContact OE1-OG1 3.1Å; Q379-T431 VanDerWaalsContact OE1-OG1 3.11Å; V429-T431 HydrophobicContact CG2-CG2 4.05Å; T431-R433 PolarHBondContact O-N 2.57Å
432H93Very high91.8Very high32 Ų3272.6 Ų72.615%0.14838%0.375CS..  trans-79.3114.4178.3176.373000112.3R383 Y399 H401 E430 P453R383-H432 PolarHBondContact NH2-ND1 3.34Å; Y399-H432 PolarHBondContact O-CE1 3.47Å; H401-H432 VanDerWaalsContact CD2-CB 3.44Å; H401-H432 WeakPolarHBondContact CD2-CB 3.38Å; H401-H432 AromaticContact CD2-CD2 3.84Å; H401-H432 AromaticContact CD2-CG 3.46Å; H401-H432 VanDerWaalsContact CD2-CG 3.46Å; H401-H432 AromaticContact CD2-ND1 3.99Å; E430-H432 WeakPolarHBondContact OE1-CB 3.28Å; E430-H432 PolarHBondContact OE1-N 2.96Å; H432-P453 VanDerWaalsContact O-CG 3.25Å; H432-P453 WeakPolarHBondContact O-CG 3.47Å
433R91.5Very high91.4Very high3 Ų371.4 Ų71.41%0.01137%0.367CS..PPolyproline II helixtrans-90.7119168.2179.6163.1-172.7-129.1-7.9110.9F335 R338 D339 T431 A448 T451F335-R433 VanDerWaalsContact CZ-CZ 3.47Å; F335-R433 VanDerWaalsContact CZ-NH1 3.27Å; R338-R433 VanDerWaalsContact NH1-NH1 3.16Å; D339-R433 VanDerWaalsContact CG-NH2 3.26Å; D339-R433 IonicContact OD1-CZ 2.73Å; D339-R433 IonicContact OD1-NH1 3.18Å; D339-R433 PolarHBondContact OD1-NH1 3.23Å; D339-R433 IonicContact OD1-NH2 3.4Å; D339-R433 PolarHBondContact OD1-NH2 3.21Å; D339-R433 VanDerWaalsContact OD1-NH2 3.12Å; D339-R433 IonicContact OD2-CZ 3.92Å; D339-R433 IonicContact OD2-NH1 3.34Å; D339-R433 IonicContact OD2-NH2 2.82Å; D339-R433 PolarHBondContact OD2-NH2 3.38Å; T431-R433 PolarHBondContact O-N 2.57Å; R433-A448 PolarHBondContact NH2-O 3.18Å; R433-T451 WeakPolarHBondContact CA-O 3.39Å; R433-T451 WeakPolarHBondContact CG-O 3.48Å; R433-T451 PolarHBondContact NE-OG1 3.07Å; R433-T451 PolarHBondContact NH2-OG1 3.09Å
434M91.7Very high91Very high120 Ų12067.6 Ų67.659%0.59136%0.357SS*.PPolyproline II helixtrans-64.7160.9174.2-69-170.9-7000111.5P436 T451M434-P436 WeakPolarHBondContact O-CD 3.31Å; M434-T451 HydrophobicContact CB-CG2 4.42Å
435K92.5Very high90.5Very high125 Ų12570.1 Ų70.154%0.54338%0.376SS..PPolyproline II helixtrans-66.1121.2175.8-173.9170.4-175.8176.20109.9Y399Y399-K435 HydrophobicContact CD1-CB 3.75Å; Y399-K435 HydrophobicContact CD1-CG 4.45Å; Y399-K435 HydrophobicContact CD2-CB 4.23Å; Y399-K435 HydrophobicContact CD2-CD 4.11Å; Y399-K435 HydrophobicContact CD2-CG 4.35Å; Y399-K435 VanDerWaalsContact CE1-CA 3.43Å; Y399-K435 HydrophobicContact CE1-CB 3.66Å; Y399-K435 HydrophobicContact CE1-CG 3.96Å; Y399-K435 HydrophobicContact CE2-CB 4.14Å; Y399-K435 HydrophobicContact CE2-CD 3.74Å; Y399-K435 HydrophobicContact CE2-CG 3.84Å; Y399-K435 HydrophobicContact CG-CB 4.03Å
436P91Very high90.3Very high12 Ų1272.4 Ų72.48%0.07838%0.38CS..PPolyproline II helixtrans-71.5143178.327.3-32000111.6D339 M434 T439 T451D339-P436 HydrophobicContact CB-CG 3.59Å; M434-P436 WeakPolarHBondContact O-CD 3.31Å; P436-T439 HydrophobicContact CB-CG2 4.37Å; P436-T439 HydrophobicContact CG-CG2 3.98Å; P436-T451 HydrophobicContact CB-CG2 4.12Å
437E88.3Confident89.9Confident187 Ų18776.6 Ų76.687%0.87440%0.4SS*.SBendtrans-81.1-47.2175.3-65.3177.2167.800111.8
438N86.7Confident89.5Confident55 Ų5572.3 Ų72.329%0.29437%0.372SS..  trans-93.2111.6175.9-179.26.1000109.8K440 R443N438-K440 WeakPolarHBondContact OD1-CB 3.47Å; N438-K440 PolarHBondContact OD1-N 3.13Å; N438-K440 VanDerWaalsContact OD1-N 3.15Å; N438-R443 PolarHBondContact O-NH1 2.85Å
439T86.7Confident89.3Confident46 Ų4672.1 Ų72.128%0.28237%0.365SS..  trans-114.912.3-179.261.30000113.2D339 P436D339-T439 HydrophobicContact CB-CG2 3.91Å; P436-T439 HydrophobicContact CB-CG2 4.37Å; P436-T439 HydrophobicContact CG-CG2 3.98Å
440K84Confident89Confident158 Ų15879.5 Ų79.569%0.68740%0.397SS*.  trans-66.7144.4179-63.1-179-178.7179.40110.7N438 L442 R443N438-K440 WeakPolarHBondContact OD1-CB 3.47Å; N438-K440 PolarHBondContact OD1-N 3.13Å; N438-K440 VanDerWaalsContact OD1-N 3.15Å; K440-L442 PolarHBondContact O-N 3.39Å; K440-R443 VanDerWaalsContact O-CD 3.29Å; K440-R443 WeakPolarHBondContact O-CD 3.35Å; K440-R443 VanDerWaalsContact O-CG 3.24Å; K440-R443 WeakPolarHBondContact O-CG 3.32Å; K440-R443 PolarHBondContact O-NE 3.21Å
441S78.6Confident88.8Confident67 Ų6777.5 Ų77.547%0.46939%0.389SS..THydrogen-bonded Turntrans-64.9-37.1178.451.30000113.2R443S441-R443 PolarHBondContact O-N 2.95Å; S441-R443 VanDerWaalsContact O-N 3.17Å
442L83.2Confident88.5Confident173 Ų17377.3 Ų77.391%0.90639%0.387SS*.THydrogen-bonded Turntrans-8014.8-177.5-66.4168.9000114.7K440K440-L442 PolarHBondContact O-N 3.39Å
443R88.1Confident88.1Confident17 Ų1777.2 Ų77.26%0.06439%0.39CS..SBendtrans-76.2152.7177.472-169166.6168.32.4110.9F335 D339 N438 K440 S441 E447 A448F335-R443 VanDerWaalsContact CD1-NH2 3.31Å; D339-R443 IonicContact OD2-CZ 2.65Å; D339-R443 VanDerWaalsContact OD2-CZ 3.22Å; D339-R443 IonicContact OD2-NH1 3.17Å; D339-R443 PolarHBondContact OD2-NH1 3.11Å; D339-R443 IonicContact OD2-NH2 3.73Å; D339-R443 PolarHBondContact OD2-NH2 3.08Å; N438-R443 PolarHBondContact O-NH1 2.85Å; K440-R443 VanDerWaalsContact O-CD 3.29Å; K440-R443 WeakPolarHBondContact O-CD 3.35Å; K440-R443 VanDerWaalsContact O-CG 3.24Å; K440-R443 WeakPolarHBondContact O-CG 3.32Å; K440-R443 PolarHBondContact O-NE 3.21Å; S441-R443 PolarHBondContact O-N 2.95Å; S441-R443 VanDerWaalsContact O-N 3.17Å; R443-E447 HydrophobicContact CB-CB 4.17Å; R443-E447 HydrophobicContact CG-CB 4.48Å; R443-A448 HydrophobicContact CG-CB 4.26Å
444S90Very high87.3Confident55 Ų5580.9 Ų80.939%0.38542%0.421SS..  trans-65.5156.2175.164.20000111.7F446 E447 A448S444-F446 PolarHBondContact O-N 3.48Å; S444-E447 PolarHBondContact N-OE2 3.47Å; S444-E447 PolarHBondContact O-N 2.75Å; S444-E447 VanDerWaalsContact O-N 3.11Å; S444-E447 VanDerWaalsContact OG-CG 3.23Å; S444-E447 WeakPolarHBondContact OG-CG 3.13Å; S444-E447 PolarHBondContact OG-N 3.37Å; S444-E447 PolarHBondContact OG-OE2 3Å; S444-A448 PolarHBondContact O-N 2.54Å
445S87.8Confident86Confident69 Ų6981 Ų8148%0.48342%0.42SS..Hα-helixtrans-56.5-40.3174.6-175.60000111.5E447 A448 M449S445-E447 PolarHBondContact O-N 3.37Å; S445-A448 WeakPolarHBondContact O-CB 3.42Å; S445-A448 PolarHBondContact O-N 2.9Å; S445-A448 VanDerWaalsContact O-N 3.15Å; S445-M449 VanDerWaalsContact O-CG 3.32Å; S445-M449 WeakPolarHBondContact O-CG 3.4Å; S445-M449 PolarHBondContact O-N 3.35Å
446F89.8Confident84Confident173 Ų17385.4 Ų85.476%0.75944%0.435SS*.Hα-helixtrans-57-45.5175179.9-98000112.7S444 M449 K450S444-F446 PolarHBondContact O-N 3.48Å; F446-M449 PolarHBondContact O-N 3.34Å; F446-K450 PolarHBondContact O-N 3.33Å
447E90Very high83.6Confident92 Ų9289.1 Ų89.143%0.4345%0.453SS..Hα-helixtrans-66.1-38.2176.4-72.1169.6117.100112.4R443 S444 S445 M449 K450R443-E447 HydrophobicContact CB-CB 4.17Å; R443-E447 HydrophobicContact CG-CB 4.48Å; S444-E447 PolarHBondContact N-OE2 3.47Å; S444-E447 PolarHBondContact O-N 2.75Å; S444-E447 VanDerWaalsContact O-N 3.11Å; S444-E447 VanDerWaalsContact OG-CG 3.23Å; S444-E447 WeakPolarHBondContact OG-CG 3.13Å; S444-E447 PolarHBondContact OG-N 3.37Å; S444-E447 PolarHBondContact OG-OE2 3Å; S445-E447 PolarHBondContact O-N 3.37Å; E447-M449 VanDerWaalsContact C-N 3.33Å; E447-M449 PolarHBondContact O-N 3.37Å; E447-K450 PolarHBondContact O-N 2.88Å
448A88.1Confident83.4Confident0 Ų083.9 Ų83.90%043%0.43CS..Hα-helixtrans-65-36.8178.200000112.4Q328 F335 R433 R443 S444 S445Q328-A448 HydrophobicContact CG-CB 4.23Å; F335-A448 HydrophobicContact CD1-CB 4.43Å; F335-A448 HydrophobicContact CE1-CB 4.11Å; R433-A448 PolarHBondContact NH2-O 3.18Å; R443-A448 HydrophobicContact CG-CB 4.26Å; S444-A448 PolarHBondContact O-N 2.54Å; S445-A448 WeakPolarHBondContact O-CB 3.42Å; S445-A448 PolarHBondContact O-N 2.9Å; S445-A448 VanDerWaalsContact O-N 3.15Å
449M91.2Very high83.2Confident29 Ų2985.6 Ų85.614%0.14344%0.438CS..Hα-helixtrans-81.8-11.5-177.7-64.7-54.794.500114.1E325 Q328 F335 S445 F446 E447 T451 V452E325-M449 HydrophobicContact CG-SD 4.04Å; Q328-M449 HydrophobicContact CB-CE 3.56Å; Q328-M449 HydrophobicContact CG-CE 3.8Å; F335-M449 HydrophobicContact CD1-CE 4.37Å; F335-M449 HydrophobicContact CE1-CE 3.51Å; F335-M449 HydrophobicContact CE2-CE 3.81Å; F335-M449 HydrophobicContact CZ-CE 3.18Å; S445-M449 VanDerWaalsContact O-CG 3.32Å; S445-M449 WeakPolarHBondContact O-CG 3.4Å; S445-M449 PolarHBondContact O-N 3.35Å; F446-M449 PolarHBondContact O-N 3.34Å; E447-M449 VanDerWaalsContact C-N 3.33Å; E447-M449 PolarHBondContact O-N 3.37Å; M449-T451 PolarHBondContact O-N 3.45Å; M449-V452 HydrophobicContact CE-CG2 4.22Å; M449-V452 WeakPolarHBondContact O-CB 3.37Å; M449-V452 PolarHBondContact O-N 3.12Å; M449-V452 HydrophobicContact SD-CG2 3.89Å
450K90.6Very high83Confident167 Ų16787.9 Ų87.973%0.72645%0.447SS*.THydrogen-bonded Turntrans-52.5-27.1-175.2-171.2179.4178.9-173.40115.5F446 E447F446-K450 PolarHBondContact O-N 3.33Å; E447-K450 PolarHBondContact O-N 2.88Å
451T88.7Confident82.9Confident22 Ų2283.5 Ų83.514%0.13543%0.432CS..THydrogen-bonded Turntrans-100.2-10.3179.951.40000114R433 M434 P436 M449R433-T451 WeakPolarHBondContact CA-O 3.39Å; R433-T451 WeakPolarHBondContact CG-O 3.48Å; R433-T451 PolarHBondContact NE-OG1 3.07Å; R433-T451 PolarHBondContact NH2-OG1 3.09Å; M434-T451 HydrophobicContact CB-CG2 4.42Å; P436-T451 HydrophobicContact CB-CG2 4.12Å; M449-T451 PolarHBondContact O-N 3.45Å
452V87.1Confident83.2Confident21 Ų2184.6 Ų84.613%0.12743%0.43CS..SBendtrans-70.9129.7176.1-1780000107.5Y324 F335 M449 A454Y324-V452 HydrophobicContact CD2-CG1 3.74Å; Y324-V452 HydrophobicContact CD2-CG2 4.26Å; Y324-V452 HydrophobicContact CG-CG1 4.26Å; Y324-V452 HydrophobicContact CG-CG2 4.17Å; F335-V452 HydrophobicContact CZ-CG2 4.37Å; M449-V452 HydrophobicContact CE-CG2 4.22Å; M449-V452 WeakPolarHBondContact O-CB 3.37Å; M449-V452 PolarHBondContact O-N 3.12Å; M449-V452 HydrophobicContact SD-CG2 3.89Å; V452-A454 PolarHBondContact O-N 3.4Å
453P84.1Confident83.2Confident30 Ų3078.3 Ų78.320%0.19540%0.396CS..PPolyproline II helixtrans-55.1139.9173.2-25.235000110.7E430 H432 E455E430-P453 HydrophobicContact CG-CB 4.47Å; E430-P453 HydrophobicContact CG-CG 4.44Å; E430-P453 WeakPolarHBondContact O-CB 3.42Å; H432-P453 VanDerWaalsContact O-CG 3.25Å; H432-P453 WeakPolarHBondContact O-CG 3.47Å; P453-E455 PolarHBondContact O-N 2.91Å
454A74.9Confident82.9Confident81 Ų8183 Ų8367%0.66942%0.421SS*.PPolyproline II helixtrans-59.5136.4172.800000110V452V452-A454 PolarHBondContact O-N 3.4Å
455E64.4Low82.3Confident121 Ų12185.3 Ų85.357%0.56542%0.424SS*.PPolyproline II helixtrans-62.4137.6167.4-62.9-173.1160.800108.9P453P453-E455 PolarHBondContact O-N 2.91Å
456Y50.7Low81.8Confident219 Ų21986.8 Ų86.886%0.85942%0.419SS*.  trans-92.80-177.8-79.9-81.7000112.3V429 E430V429-Y456 HydrophobicContact CB-CD2 4.02Å; V429-Y456 HydrophobicContact CB-CE2 4.45Å; V429-Y456 HydrophobicContact CG1-CD2 3.9Å; V429-Y456 HydrophobicContact CG1-CG 4.45Å; E430-Y456 HydrophobicContact CB-CE2 4.39Å

Retrieved 456 of 456 residues in 154.3 ms (Link to these results)

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