A0A077ZGL3_TRITR Loading...

polynucleotide adenylyltransferase

AlphaFold DB , UniProt , Accession A0A077ZGL3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 528 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M36.3Very low49.4Very low152 Ų15291.1 Ų91.175%0.74944%0.443SS*.  0-46.90-88.3-173.6-9000112.6L3 C4 P47M1-L3 PolarHBondContact O-N 3.16Å; M1-L3 VanDerWaalsContact O-N 3.11Å; M1-C4 WeakPolarHBondContact O-CB 3.46Å; M1-C4 PolarHBondContact O-N 3.37Å; M1-C4 PolarHBondContact O-SG 3.4Å; M1-C4 VanDerWaalsContact O-SG 3.41Å; M1-P47 HydrophobicContact SD-CG 3.93Å
2E38.5Very low50.2Low170 Ų17095.9 Ų95.979%0.79447%0.471SS*.G310 helixtrans-57.5-26177.5-65.1-176.2141.100114.9C4E2-C4 PolarHBondContact O-N 3.35Å
3L43.2Very low51.6Low115 Ų11594.4 Ų94.460%0.60246%0.462SS*.G310 helixtrans-64.9-19.2175-67.6170.5000114.2M1 F5M1-L3 PolarHBondContact O-N 3.16Å; M1-L3 VanDerWaalsContact O-N 3.11Å; L3-F5 PolarHBondContact O-N 2.88Å; L3-F5 VanDerWaalsContact O-N 3.11Å
4C46.3Very low53.2Low25 Ų2596.3 Ų96.317%0.16949%0.485CS..G310 helixtrans-67.5-13.1-171.7-66.90000114.7M1 E2 Y10M1-C4 WeakPolarHBondContact O-CB 3.46Å; M1-C4 PolarHBondContact O-N 3.37Å; M1-C4 PolarHBondContact O-SG 3.4Å; M1-C4 VanDerWaalsContact O-SG 3.41Å; E2-C4 PolarHBondContact O-N 3.35Å; C4-Y10 WeakPolarHBondContact O-CE2 3.35Å
5F50.1Low55.4Low46 Ų4691.1 Ų91.120%0.20247%0.465CS..G310 helixtrans-132.29.9-176.2-82.2-83.4000115.5L3 E7 T46 R336L3-F5 PolarHBondContact O-N 2.88Å; L3-F5 VanDerWaalsContact O-N 3.11Å; F5-E7 PolarHBondContact O-N 3.04Å; F5-T46 HydrophobicContact CD2-CG2 3.65Å; F5-T46 HydrophobicContact CE2-CG2 3.38Å; F5-T46 HydrophobicContact CZ-CG2 4.46Å; F5-R336 HydrophobicContact CE1-CB 3.65Å; F5-R336 HydrophobicContact CZ-CB 3.78Å; F5-R336 HydrophobicContact CZ-CG 4.48Å
6R52.3Low57.7Low168 Ų16886.1 Ų86.163%0.63444%0.44SS*.  trans-72.6112.3158.4-73.7-170.8178-165.9-0.7107.3D8 C9R6-D8 PolarHBondContact O-N 3.04Å; R6-D8 VanDerWaalsContact O-N 3.1Å; R6-C9 HydrophobicContact CB-CB 4.49Å; R6-C9 WeakPolarHBondContact O-CB 3.43Å; R6-C9 PolarHBondContact O-N 3.18Å
7E48.5Very low59.7Low109 Ų10981.9 Ų81.951%0.50942%0.42SS..G310 helixtrans-59-24.8-179.8-57.9-163.9125.200112.3F5 C9 Y10 R21 R337F5-E7 PolarHBondContact O-N 3.04Å; E7-C9 PolarHBondContact O-N 3.2Å; E7-Y10 PolarHBondContact O-N 3.31Å; E7-R21 PolarHBondContact O-NE 3.33Å; E7-R21 PolarHBondContact O-NH2 3.21Å; E7-R337 IonicContact OE1-CZ 2.74Å; E7-R337 IonicContact OE1-NE 3.7Å; E7-R337 PolarHBondContact OE1-NE 2.88Å; E7-R337 IonicContact OE1-NH2 2.64Å; E7-R337 PolarHBondContact OE1-NH2 2.94Å
8D53.8Low61.5Low120 Ų12077.3 Ų77.364%0.64240%0.396SS*.G310 helixtrans-62.9-16.3172.1-56.6-40.4000114.1R6 R21R6-D8 PolarHBondContact O-N 3.04Å; R6-D8 VanDerWaalsContact O-N 3.1Å; D8-R21 WeakPolarHBondContact O-CD 3.35Å; D8-R21 PolarHBondContact O-NE 2.85Å
9C55.2Low63Low43 Ų4373.9 Ų73.929%0.29138%0.379SS..G310 helixtrans-95.7-17-178.6-63.40000114R6 E7 P20 R21R6-C9 HydrophobicContact CB-CB 4.49Å; R6-C9 WeakPolarHBondContact O-CB 3.43Å; R6-C9 PolarHBondContact O-N 3.18Å; E7-C9 PolarHBondContact O-N 3.2Å; C9-P20 CarbonylContact O-C 3.52Å; C9-P20 VanDerWaalsContact O-CA 3.29Å; C9-P20 WeakPolarHBondContact O-CA 3.46Å; C9-R21 PolarHBondContact O-N 3.06Å
10Y61.1Low64.3Low33 Ų3371.9 Ų71.913%0.12937%0.371CS..BIsolated β-bridgetrans-119.1152.9-178.4-67.3-86.5000112.9C4 E7 P17 W18 P20 R21C4-Y10 WeakPolarHBondContact O-CE2 3.35Å; E7-Y10 PolarHBondContact O-N 3.31Å; Y10-P17 WeakPolarHBondContact CB-O 3.37Å; Y10-P17 WeakPolarHBondContact CD1-O 3.28Å; Y10-W18 WeakPolarHBondContact CD1-O 3.29Å; Y10-W18 VanDerWaalsContact CE1-O 3.28Å; Y10-W18 WeakPolarHBondContact CE1-O 3.27Å; Y10-P20 HydrophobicContact CE1-CG 4.43Å; Y10-R21 WeakPolarHBondContact O-CG 3.37Å; Y10-R21 PolarHBondContact O-NE 3.5Å
11S58.7Low65.2Low21 Ų2174 Ų7415%0.14737%0.374CS..  trans-65.9151.8-177.484.90000112H13 I19S11-H13 PolarHBondContact O-N 3.4Å; S11-H13 PolarHBondContact OG-CD2 3.26Å; S11-I19 WeakPolarHBondContact CB-O 3.35Å; S11-I19 PolarHBondContact N-O 2.99Å
12L58.8Low67.5Low149 Ų14970.9 Ų70.978%0.7838%0.381SS*.  trans-85.88.7176.2-71.7163.6000112.6P14L12-P14 WeakPolarHBondContact O-CD 3.42Å
13H67.6Low69.8Low76 Ų7666.3 Ų66.335%0.35236%0.359SS..  trans-65.2123.9-176.5-72.5-71.3000110.9S11 G15 T16 D317S11-H13 PolarHBondContact O-N 3.4Å; S11-H13 PolarHBondContact OG-CD2 3.26Å; H13-G15 PolarHBondContact O-N 3.5Å; H13-G15 VanDerWaalsContact O-N 3.15Å; H13-T16 WeakPolarHBondContact CB-OG1 3.35Å; H13-T16 PolarHBondContact O-N 3.47Å; H13-D317 PolarHBondContact ND1-O 3.14Å
14P73.8Confident71.9Confident121 Ų12166.8 Ų66.879%0.78636%0.362SS*.THydrogen-bonded Turntrans-58.9119.8179.7-25.635.2000111.8L12L12-P14 WeakPolarHBondContact O-CD 3.42Å
15G86.9Confident74Confident18 Ų1867 Ų6719%0.18636%0.359CS..THydrogen-bonded Turntrans93.7-12.7175.500000115.9H13 P17 W18 Q327 V328H13-G15 PolarHBondContact O-N 3.5Å; H13-G15 VanDerWaalsContact O-N 3.15Å; G15-P17 VanDerWaalsContact O-CD 3.26Å; G15-P17 WeakPolarHBondContact O-CD 3.42Å; G15-W18 VanDerWaalsContact O-CZ3 3.29Å; G15-W18 WeakPolarHBondContact O-CZ3 3.44Å; G15-Q327 CarbonylContact O-C 3.59Å; G15-Q327 WeakPolarHBondContact O-CA 3.47Å; G15-V328 WeakPolarHBondContact CA-O 3.46Å; G15-V328 PolarHBondContact O-N 3.18Å
16T92.1Very high75.9Confident11 Ų1169.5 Ų69.57%0.06737%0.374CS..  trans-119.752.9-176.658.80000114H13 W18 I19H13-T16 WeakPolarHBondContact CB-OG1 3.35Å; H13-T16 PolarHBondContact O-N 3.47Å; T16-W18 HydrophobicContact CG2-CH2 3.74Å; T16-W18 HydrophobicContact CG2-CZ2 3.68Å; T16-W18 PolarHBondContact O-N 2.95Å; T16-I19 HydrophobicContact CG2-CD1 4.44Å; T16-I19 PolarHBondContact O-N 3.04Å
17P91.2Very high77.5Confident15 Ų1568.3 Ų68.310%0.09738%0.381CS..THydrogen-bonded Turntrans-67.2-5.8-171.131.9-40.2000115.2Y10 G15 W42 V328 V333Y10-P17 WeakPolarHBondContact CB-O 3.37Å; Y10-P17 WeakPolarHBondContact CD1-O 3.28Å; G15-P17 VanDerWaalsContact O-CD 3.26Å; G15-P17 WeakPolarHBondContact O-CD 3.42Å; P17-W42 HydrophobicContact CB-CH2 4.4Å; P17-W42 HydrophobicContact CB-CZ2 3.73Å; P17-W42 HydrophobicContact CG-CD2 4.17Å; P17-W42 HydrophobicContact CG-CE3 4.26Å; P17-W42 HydrophobicContact CG-CH2 3.68Å; P17-W42 HydrophobicContact CG-CZ2 3.51Å; P17-W42 HydrophobicContact CG-CZ3 4.04Å; P17-W42 VanDerWaalsContact O-CD1 3.28Å; P17-W42 PolarHBondContact O-NE1 3.14Å; P17-V328 HydrophobicContact CG-CB 3.99Å; P17-V328 HydrophobicContact CG-CG1 4.32Å; P17-V328 HydrophobicContact CG-CG2 4.48Å; P17-V333 HydrophobicContact CB-CG2 4Å; P17-V333 HydrophobicContact CG-CG2 3.86Å
18W91.9Very high79.6Confident0 Ų064.3 Ų64.30%037%0.369CS..THydrogen-bonded Turntrans-81.8-20.1178.158.487.8000114.2Y10 G15 T16 P20 E35 F39 W42 L322 I326 V328Y10-W18 WeakPolarHBondContact CD1-O 3.29Å; Y10-W18 VanDerWaalsContact CE1-O 3.28Å; Y10-W18 WeakPolarHBondContact CE1-O 3.27Å; G15-W18 VanDerWaalsContact O-CZ3 3.29Å; G15-W18 WeakPolarHBondContact O-CZ3 3.44Å; T16-W18 HydrophobicContact CG2-CH2 3.74Å; T16-W18 HydrophobicContact CG2-CZ2 3.68Å; T16-W18 PolarHBondContact O-N 2.95Å; W18-P20 VanDerWaalsContact O-CD 3.24Å; W18-P20 WeakPolarHBondContact O-CD 3.39Å; W18-E35 PolarHBondContact NE1-OE1 2.97Å; W18-F39 HydrophobicContact CB-CB 4.34Å; W18-F39 HydrophobicContact CD2-CB 4.22Å; W18-F39 AromaticContact CD2-CD2 3.74Å; W18-F39 HydrophobicContact CD2-CD2 3.74Å; W18-F39 HydrophobicContact CD2-CG 4.49Å; W18-F39 AromaticContact CE3-CD2 3.57Å; W18-F39 HydrophobicContact CE3-CD2 3.57Å; W18-F39 HydrophobicContact CE3-CE2 4.14Å; W18-F39 HydrophobicContact CG-CB 3.95Å; W18-F39 HydrophobicContact CG-CD2 4.23Å; W18-F39 HydrophobicContact CH2-CD2 4.4Å; W18-F39 AromaticContact CZ3-CD2 3.92Å; W18-F39 HydrophobicContact CZ3-CD2 3.92Å; W18-F39 HydrophobicContact CZ3-CE2 4.18Å; W18-W42 HydrophobicContact CB-CB 3.5Å; W18-W42 HydrophobicContact CB-CD2 4.46Å; W18-W42 HydrophobicContact CB-CG 3.86Å; W18-L322 HydrophobicContact CZ2-CB 4.26Å; W18-L322 HydrophobicContact CZ2-CD2 4.19Å; W18-L322 HydrophobicContact CZ2-CG 4.2Å; W18-I326 HydrophobicContact CH2-CG2 4.02Å; W18-I326 WeakPolarHBondContact CH2-O 3.3Å; W18-I326 HydrophobicContact CZ3-CG2 4.35Å; W18-V328 HydrophobicContact CE3-CG2 4.37Å; W18-V328 HydrophobicContact CZ3-CG2 3.93Å
19I91.5Very high81.5Confident13 Ų1360.2 Ų60.27%0.06735%0.347CS..SBendtrans-72.7118.3-176.3-54.4176.7000108.9S11 T16 K23 Y25S11-I19 WeakPolarHBondContact CB-O 3.35Å; S11-I19 PolarHBondContact N-O 2.99Å; T16-I19 HydrophobicContact CG2-CD1 4.44Å; T16-I19 PolarHBondContact O-N 3.04Å; I19-K23 HydrophobicContact CG2-CB 4.32Å; I19-Y25 HydrophobicContact CD1-CE2 4.37Å; I19-Y25 HydrophobicContact CG1-CE2 4.08Å; I19-Y25 HydrophobicContact CG2-CE2 3.95Å
20P87.9Confident83.3Confident33 Ų3361.7 Ų61.721%0.21435%0.351CS..BIsolated β-bridgetrans-64.9152.1177.1-18.831.5000112.2C9 Y10 W18 G22 K23C9-P20 CarbonylContact O-C 3.52Å; C9-P20 VanDerWaalsContact O-CA 3.29Å; C9-P20 WeakPolarHBondContact O-CA 3.46Å; Y10-P20 HydrophobicContact CE1-CG 4.43Å; W18-P20 VanDerWaalsContact O-CD 3.24Å; W18-P20 WeakPolarHBondContact O-CD 3.39Å; P20-G22 PolarHBondContact O-N 3.32Å; P20-K23 HydrophobicContact CB-CB 4.02Å; P20-K23 HydrophobicContact CG-CB 4.16Å; P20-K23 HydrophobicContact CG-CG 4.46Å; P20-K23 VanDerWaalsContact O-CB 3.29Å; P20-K23 WeakPolarHBondContact O-CB 3.29Å; P20-K23 PolarHBondContact O-N 2.86Å; P20-K23 VanDerWaalsContact O-N 3.1Å
21R83Confident84.9Confident115 Ų11560.1 Ų60.143%0.43435%0.345SS..THydrogen-bonded Turntrans-62.8128.7177.4-67.5-157.2-171178.36.1110.9E7 D8 C9 Y10 K23E7-R21 PolarHBondContact O-NE 3.33Å; E7-R21 PolarHBondContact O-NH2 3.21Å; D8-R21 WeakPolarHBondContact O-CD 3.35Å; D8-R21 PolarHBondContact O-NE 2.85Å; C9-R21 PolarHBondContact O-N 3.06Å; Y10-R21 WeakPolarHBondContact O-CG 3.37Å; Y10-R21 PolarHBondContact O-NE 3.5Å; R21-K23 PolarHBondContact O-N 2.85Å
22G84.1Confident86.6Confident88 Ų8859.1 Ų59.191%0.90734%0.338SS*.THydrogen-bonded Turntrans71.49.9-178.100000114.4P20 D24P20-G22 PolarHBondContact O-N 3.32Å; G22-D24 PolarHBondContact O-N 3.35Å
23K87.9Confident88.4Confident73 Ų7354.3 Ų54.332%0.31731%0.311SS..PPolyproline II helixtrans-71.6121.6169.5178.461.4176.8138.20109I19 P20 R21 Y25 E34I19-K23 HydrophobicContact CG2-CB 4.32Å; P20-K23 HydrophobicContact CB-CB 4.02Å; P20-K23 HydrophobicContact CG-CB 4.16Å; P20-K23 HydrophobicContact CG-CG 4.46Å; P20-K23 VanDerWaalsContact O-CB 3.29Å; P20-K23 WeakPolarHBondContact O-CB 3.29Å; P20-K23 PolarHBondContact O-N 2.86Å; P20-K23 VanDerWaalsContact O-N 3.1Å; R21-K23 PolarHBondContact O-N 2.85Å; K23-Y25 HydrophobicContact CD-CD1 4.4Å; K23-Y25 HydrophobicContact CD-CE1 4.24Å; K23-Y25 VanDerWaalsContact CE-CD1 3.4Å; K23-Y25 VanDerWaalsContact CE-CE1 3.41Å; K23-Y25 HydrophobicContact CG-CD1 4.12Å; K23-Y25 HydrophobicContact CG-CE1 3.72Å; K23-Y25 HydrophobicContact CG-CE2 4.31Å; K23-E34 IonicContact NZ-OE2 2.68Å; K23-E34 PolarHBondContact NZ-OE2 2.92Å
24D86.9Confident89.7Confident126 Ų12653.1 Ų53.167%0.67431%0.306SS*.PPolyproline II helixtrans-103.5136.5161.7-159.112.2000108G22G22-D24 PolarHBondContact O-N 3.35Å
25Y90.3Very high90.8Very high28 Ų2847.5 Ų47.511%0.1127%0.269CS..PPolyproline II helixtrans-95.9149178.5-67-67.3000109.4I19 K23 E34 E35 D38I19-Y25 HydrophobicContact CD1-CE2 4.37Å; I19-Y25 HydrophobicContact CG1-CE2 4.08Å; I19-Y25 HydrophobicContact CG2-CE2 3.95Å; K23-Y25 HydrophobicContact CD-CD1 4.4Å; K23-Y25 HydrophobicContact CD-CE1 4.24Å; K23-Y25 VanDerWaalsContact CE-CD1 3.4Å; K23-Y25 VanDerWaalsContact CE-CE1 3.41Å; K23-Y25 HydrophobicContact CG-CD1 4.12Å; K23-Y25 HydrophobicContact CG-CE1 3.72Å; K23-Y25 HydrophobicContact CG-CE2 4.31Å; Y25-E34 HydrophobicContact CD1-CB 3.76Å; Y25-E34 HydrophobicContact CE1-CB 4.19Å; Y25-E35 HydrophobicContact CD1-CB 4.02Å; Y25-E35 HydrophobicContact CD2-CB 4.18Å; Y25-E35 HydrophobicContact CD2-CG 4.46Å; Y25-E35 VanDerWaalsContact CE1-CA 3.44Å; Y25-E35 HydrophobicContact CE1-CB 3.73Å; Y25-E35 HydrophobicContact CE1-CG 4.34Å; Y25-E35 HydrophobicContact CE2-CB 3.88Å; Y25-E35 HydrophobicContact CE2-CG 3.82Å; Y25-E35 HydrophobicContact CG-CB 4.25Å; Y25-D38 VanDerWaalsContact CE1-OD2 3.3Å; Y25-D38 WeakPolarHBondContact CE1-OD2 3.46Å; Y25-D38 WeakPolarHBondContact OH-CB 2.99Å; Y25-D38 PolarHBondContact OH-OD2 2.79Å
26L90.6Very high91.3Very high99 Ų9946.7 Ų46.752%0.51826%0.261SS..PPolyproline II helixtrans-63.5164.1171.8-67.2178000111.4I30 G31 E34L26-I30 HydrophobicContact CB-CB 4.37Å; L26-I30 HydrophobicContact CB-CG2 4.16Å; L26-I30 HydrophobicContact CD1-CG2 3.63Å; L26-G31 WeakPolarHBondContact O-CA 3.46Å; L26-G31 PolarHBondContact O-N 3.16Å; L26-E34 WeakPolarHBondContact CD1-OE1 3.34Å
27D86.5Confident91.4Very high143 Ų14348 Ų4877%0.76527%0.266SS*.SBendtrans-69.1152.7177.4-65.8-48.6000113.2G31D27-G31 PolarHBondContact O-N 3.09Å
28G90.7Very high91.6Very high25 Ų2547.8 Ų47.826%0.25826%0.264SS..Hα-helixtrans65.9-145165.300000115.2I30 G31 L32 L307G28-I30 PolarHBondContact O-N 3.18Å; G28-I30 VanDerWaalsContact O-N 3.16Å; G28-G31 PolarHBondContact O-N 2.99Å; G28-L32 PolarHBondContact O-N 3.07Å; G28-L307 VanDerWaalsContact C-CD2 3.44Å; G28-L307 VanDerWaalsContact CA-CD2 3.43Å
29L93.8Very high91.7Very high35 Ų3547.8 Ų47.818%0.18326%0.264CS..Hα-helixtrans-64.3-17.1-178.1-68.5164.3000113.9H33 N220 V223 V226 L307 F518L29-H33 WeakPolarHBondContact O-CB 3.46Å; L29-H33 PolarHBondContact O-N 3.24Å; L29-N220 PolarHBondContact O-ND2 3.43Å; L29-N220 PolarHBondContact O-OD1 3.46Å; L29-V223 HydrophobicContact CB-CG2 4.48Å; L29-V223 HydrophobicContact CD1-CG2 4.05Å; L29-V223 HydrophobicContact CD2-CG2 4.41Å; L29-V226 HydrophobicContact CD2-CG2 4.22Å; L29-L307 HydrophobicContact CD2-CD1 3.74Å; L29-L307 HydrophobicContact CD2-CD2 4.5Å; L29-L307 HydrophobicContact CG-CD1 4.21Å; L29-L307 HydrophobicContact CG-CD2 4.32Å; L29-F518 HydrophobicContact CD1-CD2 3.83Å; L29-F518 HydrophobicContact CD1-CE2 3.77Å; L29-F518 HydrophobicContact CD1-CG 4.48Å; L29-F518 HydrophobicContact CD1-CZ 4.39Å
30I94.5Very high91.8Very high73 Ų7347.4 Ų47.437%0.37426%0.262SS..Hα-helixtrans-79-46.8174.5-55.3179.5000109.3L26 G28 L32 H33 E34L26-I30 HydrophobicContact CB-CB 4.37Å; L26-I30 HydrophobicContact CB-CG2 4.16Å; L26-I30 HydrophobicContact CD1-CG2 3.63Å; G28-I30 PolarHBondContact O-N 3.18Å; G28-I30 VanDerWaalsContact O-N 3.16Å; I30-L32 PolarHBondContact O-N 3.45Å; I30-H33 WeakPolarHBondContact O-CB 3.29Å; I30-H33 PolarHBondContact O-N 2.88Å; I30-H33 VanDerWaalsContact O-N 3.17Å; I30-E34 PolarHBondContact O-N 2.79Å
31G93.1Very high92Very high1 Ų151.6 Ų51.61%0.0127%0.274CS..Hα-helixtrans-57-48.4171.700000113.7L26 D27 G28 H33 E34 E35L26-G31 WeakPolarHBondContact O-CA 3.46Å; L26-G31 PolarHBondContact O-N 3.16Å; D27-G31 PolarHBondContact O-N 3.09Å; G28-G31 PolarHBondContact O-N 2.99Å; G31-H33 PolarHBondContact O-N 2.94Å; G31-E34 PolarHBondContact O-N 3.07Å; G31-E34 VanDerWaalsContact O-N 3.11Å; G31-E35 WeakPolarHBondContact O-CB 3.31Å; G31-E35 PolarHBondContact O-N 2.66Å
32L95.3Very high92.5Very high0 Ų046.6 Ų46.60%026%0.255CS..Hα-helixtrans-58.1-36.1177.4-178.360.3000111.6G28 I30 L36 V226 L303 L321 L322G28-L32 PolarHBondContact O-N 3.07Å; I30-L32 PolarHBondContact O-N 3.45Å; L32-L36 HydrophobicContact CD1-CD1 4.29Å; L32-L36 HydrophobicContact CD1-CG 4.41Å; L32-L36 HydrophobicContact CG-CD1 4.02Å; L32-L36 VanDerWaalsContact O-CB 3.3Å; L32-L36 WeakPolarHBondContact O-CB 3.43Å; L32-L36 VanDerWaalsContact O-CD1 3.3Å; L32-L36 WeakPolarHBondContact O-CD1 3.44Å; L32-L36 WeakPolarHBondContact O-CG 3.46Å; L32-L36 PolarHBondContact O-N 3.22Å; L32-V226 HydrophobicContact CD2-CG2 4.02Å; L32-L303 HydrophobicContact CD1-CD2 4.46Å; L32-L303 HydrophobicContact CD2-CD2 4.39Å; L32-L321 HydrophobicContact CB-CD1 4.15Å; L32-L321 HydrophobicContact CD1-CB 4.07Å; L32-L322 HydrophobicContact CD1-CB 4.28Å; L32-L322 HydrophobicContact CD1-CD1 4.36Å
33H96.8Very high92.9Very high47 Ų4742.4 Ų42.422%0.21821%0.212CC..Hα-helixtrans-68.8-45.1174.3172.852.2000112.7L29 I30 G31 E35 L36 E37 N220 L221L29-H33 WeakPolarHBondContact O-CB 3.46Å; L29-H33 PolarHBondContact O-N 3.24Å; I30-H33 WeakPolarHBondContact O-CB 3.29Å; I30-H33 PolarHBondContact O-N 2.88Å; I30-H33 VanDerWaalsContact O-N 3.17Å; G31-H33 PolarHBondContact O-N 2.94Å; H33-E35 VanDerWaalsContact C-N 3.32Å; H33-E35 PolarHBondContact O-N 3.2Å; H33-L36 PolarHBondContact O-N 3.48Å; H33-E37 IonicContact CE1-OE1 2.79Å; H33-E37 PolarHBondContact CE1-OE1 2.87Å; H33-E37 WeakPolarHBondContact O-CG 3.5Å; H33-E37 PolarHBondContact O-N 2.71Å; H33-N220 WeakPolarHBondContact CB-ND2 3.46Å; H33-L221 PolarHBondContact ND1-N 3.48Å
34E95.7Very high92.9Very high52 Ų5240.7 Ų40.724%0.24321%0.206CC..Hα-helixtrans-59.5-43.3174.7-70.2-172.7179.400112K23 Y25 L26 I30 G31 E37 D38K23-E34 IonicContact NZ-OE2 2.68Å; K23-E34 PolarHBondContact NZ-OE2 2.92Å; Y25-E34 HydrophobicContact CD1-CB 3.76Å; Y25-E34 HydrophobicContact CE1-CB 4.19Å; L26-E34 WeakPolarHBondContact CD1-OE1 3.34Å; I30-E34 PolarHBondContact O-N 2.79Å; G31-E34 PolarHBondContact O-N 3.07Å; G31-E34 VanDerWaalsContact O-N 3.11Å; E34-E37 WeakPolarHBondContact O-CB 3.27Å; E34-E37 PolarHBondContact O-N 3.34Å; E34-D38 PolarHBondContact O-N 2.77Å
35E95.7Very high92.9Very high2 Ų235.8 Ų35.81%0.00918%0.181CC..Hα-helixtrans-66.8-37.5177.8-176.5166.9-150.300112.1W18 Y25 G31 H33 E37 D38 F39 S320 L321 L322W18-E35 PolarHBondContact NE1-OE1 2.97Å; Y25-E35 HydrophobicContact CD1-CB 4.02Å; Y25-E35 HydrophobicContact CD2-CB 4.18Å; Y25-E35 HydrophobicContact CD2-CG 4.46Å; Y25-E35 VanDerWaalsContact CE1-CA 3.44Å; Y25-E35 HydrophobicContact CE1-CB 3.73Å; Y25-E35 HydrophobicContact CE1-CG 4.34Å; Y25-E35 HydrophobicContact CE2-CB 3.88Å; Y25-E35 HydrophobicContact CE2-CG 3.82Å; Y25-E35 HydrophobicContact CG-CB 4.25Å; G31-E35 WeakPolarHBondContact O-CB 3.31Å; G31-E35 PolarHBondContact O-N 2.66Å; H33-E35 VanDerWaalsContact C-N 3.32Å; H33-E35 PolarHBondContact O-N 3.2Å; E35-E37 VanDerWaalsContact C-N 3.31Å; E35-E37 PolarHBondContact O-N 2.67Å; E35-D38 PolarHBondContact O-N 3.32Å; E35-F39 WeakPolarHBondContact O-CB 3.23Å; E35-F39 PolarHBondContact O-N 3.33Å; E35-S320 WeakPolarHBondContact OE1-CB 3.48Å; E35-S320 PolarHBondContact OE1-OG 3.06Å; E35-L321 PolarHBondContact OE2-N 2.84Å; E35-L322 VanDerWaalsContact CD-CB 3.42Å; E35-L322 HydrophobicContact CG-CB 3.72Å; E35-L322 HydrophobicContact CG-CD2 4.12Å; E35-L322 VanDerWaalsContact OE2-CB 3.3Å; E35-L322 WeakPolarHBondContact OE2-CB 3.39Å; E35-L322 PolarHBondContact OE2-N 3.35Å
36L96.8Very high92.8Very high1 Ų135.7 Ų35.71%0.00518%0.183CC..Hα-helixtrans-63.7-35.3172.1-77.2164.5000112.2L32 H33 C40 V175 L221 L225 L322L32-L36 HydrophobicContact CD1-CD1 4.29Å; L32-L36 HydrophobicContact CD1-CG 4.41Å; L32-L36 HydrophobicContact CG-CD1 4.02Å; L32-L36 VanDerWaalsContact O-CB 3.3Å; L32-L36 WeakPolarHBondContact O-CB 3.43Å; L32-L36 VanDerWaalsContact O-CD1 3.3Å; L32-L36 WeakPolarHBondContact O-CD1 3.44Å; L32-L36 WeakPolarHBondContact O-CG 3.46Å; L32-L36 PolarHBondContact O-N 3.22Å; H33-L36 PolarHBondContact O-N 3.48Å; L36-C40 WeakPolarHBondContact O-CB 3.49Å; L36-C40 PolarHBondContact O-N 3.18Å; L36-C40 PolarHBondContact O-SG 2.97Å; L36-V175 HydrophobicContact CD2-CB 4.28Å; L36-V175 HydrophobicContact CD2-CG1 3.68Å; L36-V175 HydrophobicContact CD2-CG2 3.54Å; L36-L221 HydrophobicContact CB-CB 4.27Å; L36-L221 HydrophobicContact CB-CD1 4.21Å; L36-L221 HydrophobicContact CD1-CB 3.84Å; L36-L225 HydrophobicContact CD1-CB 4.3Å; L36-L225 HydrophobicContact CD1-CD2 3.86Å; L36-L225 HydrophobicContact CD2-CD2 3.82Å; L36-L225 HydrophobicContact CG-CD2 4.4Å; L36-L322 HydrophobicContact CD2-CD1 3.61Å; L36-L322 HydrophobicContact CD2-CD2 3.83Å; L36-L322 HydrophobicContact CD2-CG 4.38Å; L36-L322 HydrophobicContact CG-CD1 4.3Å; L36-L322 HydrophobicContact CG-CD2 4.33Å
37E95.4Very high92.5Very high40 Ų4033.2 Ų33.219%0.18717%0.173CC..Hα-helixtrans-68.5-40.9173.1-70.1-65.7162.800112.1H33 E34 E35 C40 R41 K171 L221H33-E37 IonicContact CE1-OE1 2.79Å; H33-E37 PolarHBondContact CE1-OE1 2.87Å; H33-E37 WeakPolarHBondContact O-CG 3.5Å; H33-E37 PolarHBondContact O-N 2.71Å; E34-E37 WeakPolarHBondContact O-CB 3.27Å; E34-E37 PolarHBondContact O-N 3.34Å; E35-E37 VanDerWaalsContact C-N 3.31Å; E35-E37 PolarHBondContact O-N 2.67Å; E37-C40 PolarHBondContact O-N 3.2Å; E37-R41 WeakPolarHBondContact O-CB 3.44Å; E37-R41 WeakPolarHBondContact O-CG 3.48Å; E37-R41 PolarHBondContact O-N 2.98Å; E37-R41 PolarHBondContact O-NE 3.45Å; E37-R41 VanDerWaalsContact O-NE 3.14Å; E37-K171 IonicContact OE1-NZ 3.55Å; E37-K171 PolarHBondContact OE1-NZ 3.05Å; E37-K171 IonicContact OE2-NZ 2.74Å; E37-K171 PolarHBondContact OE2-NZ 3.45Å; E37-L221 HydrophobicContact CG-CD1 4.44Å; E37-L221 VanDerWaalsContact OE1-CD1 3.3Å; E37-L221 WeakPolarHBondContact OE1-CD1 3.31Å
38D94.5Very high92.6Very high10 Ų1026.7 Ų26.75%0.05314%0.138CC..Hα-helixtrans-64-45.5173.7-86.6-34.7000110.9Y25 E34 E35 C40 R41 W42Y25-D38 VanDerWaalsContact CE1-OD2 3.3Å; Y25-D38 WeakPolarHBondContact CE1-OD2 3.46Å; Y25-D38 WeakPolarHBondContact OH-CB 2.99Å; Y25-D38 PolarHBondContact OH-OD2 2.79Å; E34-D38 PolarHBondContact O-N 2.77Å; E35-D38 PolarHBondContact O-N 3.32Å; D38-C40 PolarHBondContact O-N 3.06Å; D38-R41 VanDerWaalsContact CG-NH2 3.31Å; D38-R41 VanDerWaalsContact N-NH2 3.19Å; D38-R41 PolarHBondContact O-N 3.01Å; D38-R41 IonicContact OD1-CZ 3.07Å; D38-R41 IonicContact OD1-NH1 3.49Å; D38-R41 PolarHBondContact OD1-NH1 2.8Å; D38-R41 IonicContact OD1-NH2 3.54Å; D38-R41 PolarHBondContact OD1-NH2 3.2Å; D38-R41 IonicContact OD2-NH2 3.7Å; D38-W42 WeakPolarHBondContact O-CB 3.41Å; D38-W42 PolarHBondContact O-N 2.75Å
39F95Very high92.6Very high0 Ų026 Ų260%013%0.128CC..Hα-helixtrans-57.2-48.6173174.2-91000112.1W18 E35 R41 W42 I43 V175 Q178 L322 I326 V328W18-F39 HydrophobicContact CB-CB 4.34Å; W18-F39 HydrophobicContact CD2-CB 4.22Å; W18-F39 AromaticContact CD2-CD2 3.74Å; W18-F39 HydrophobicContact CD2-CD2 3.74Å; W18-F39 HydrophobicContact CD2-CG 4.49Å; W18-F39 AromaticContact CE3-CD2 3.57Å; W18-F39 HydrophobicContact CE3-CD2 3.57Å; W18-F39 HydrophobicContact CE3-CE2 4.14Å; W18-F39 HydrophobicContact CG-CB 3.95Å; W18-F39 HydrophobicContact CG-CD2 4.23Å; W18-F39 HydrophobicContact CH2-CD2 4.4Å; W18-F39 AromaticContact CZ3-CD2 3.92Å; W18-F39 HydrophobicContact CZ3-CD2 3.92Å; W18-F39 HydrophobicContact CZ3-CE2 4.18Å; E35-F39 WeakPolarHBondContact O-CB 3.23Å; E35-F39 PolarHBondContact O-N 3.33Å; F39-R41 VanDerWaalsContact C-N 3.35Å; F39-R41 PolarHBondContact O-N 3.22Å; F39-W42 PolarHBondContact O-N 2.91Å; F39-I43 HydrophobicContact CD1-CG2 4.13Å; F39-I43 HydrophobicContact CE1-CB 4.01Å; F39-I43 HydrophobicContact CE1-CG1 4.27Å; F39-I43 HydrophobicContact CE1-CG2 3.69Å; F39-I43 HydrophobicContact CE2-CB 4.26Å; F39-I43 HydrophobicContact CE2-CD1 4.43Å; F39-I43 HydrophobicContact CE2-CG1 4.4Å; F39-I43 HydrophobicContact CZ-CB 3.85Å; F39-I43 HydrophobicContact CZ-CD1 4.2Å; F39-I43 HydrophobicContact CZ-CG1 3.8Å; F39-I43 HydrophobicContact CZ-CG2 4.06Å; F39-I43 WeakPolarHBondContact O-CB 3.43Å; F39-I43 VanDerWaalsContact O-CG2 3.31Å; F39-I43 WeakPolarHBondContact O-CG2 3.42Å; F39-I43 PolarHBondContact O-N 2.64Å; F39-V175 HydrophobicContact CD1-CG2 3.64Å; F39-V175 HydrophobicContact CE1-CB 4.32Å; F39-V175 HydrophobicContact CE1-CG2 3.76Å; F39-Q178 HydrophobicContact CE2-CB 4.44Å; F39-Q178 HydrophobicContact CE2-CG 4.13Å; F39-Q178 HydrophobicContact CZ-CB 3.72Å; F39-Q178 HydrophobicContact CZ-CG 3.9Å; F39-L322 HydrophobicContact CB-CD2 3.5Å; F39-L322 VanDerWaalsContact CB-CD2 3.5Å; F39-L322 HydrophobicContact CD1-CD2 4.48Å; F39-L322 HydrophobicContact CD2-CD2 4.14Å; F39-L322 HydrophobicContact CG-CD2 3.78Å; F39-I326 HydrophobicContact CD2-CG2 4.36Å; F39-I326 HydrophobicContact CE2-CG2 3.84Å; F39-I326 HydrophobicContact CZ-CG2 4.35Å; F39-V328 HydrophobicContact CE2-CG2 4.31Å
40C93.9Very high92.3Very high4 Ų426 Ų263%0.02713%0.128CC..Hα-helixtrans-62.2-42.5179.3-72.30000111.4L36 E37 D38 W42 L44 K171L36-C40 WeakPolarHBondContact O-CB 3.49Å; L36-C40 PolarHBondContact O-N 3.18Å; L36-C40 PolarHBondContact O-SG 2.97Å; E37-C40 PolarHBondContact O-N 3.2Å; D38-C40 PolarHBondContact O-N 3.06Å; C40-W42 VanDerWaalsContact C-N 3.31Å; C40-W42 PolarHBondContact O-N 3.04Å; C40-L44 WeakPolarHBondContact O-CB 3.23Å; C40-L44 WeakPolarHBondContact O-CD1 3.22Å; C40-L44 WeakPolarHBondContact O-CG 3.27Å; C40-L44 PolarHBondContact O-N 3.24Å; C40-K171 HydrophobicContact CB-CG 4.43Å
41R91.8Very high92Very high122 Ų12224.4 Ų24.446%0.4612%0.117SC..Hα-helixtrans-65.3-32.6176-77.8178.9-80.6114.2-0.2112.8E37 D38 F39E37-R41 WeakPolarHBondContact O-CB 3.44Å; E37-R41 WeakPolarHBondContact O-CG 3.48Å; E37-R41 PolarHBondContact O-N 2.98Å; E37-R41 PolarHBondContact O-NE 3.45Å; E37-R41 VanDerWaalsContact O-NE 3.14Å; D38-R41 VanDerWaalsContact CG-NH2 3.31Å; D38-R41 VanDerWaalsContact N-NH2 3.19Å; D38-R41 PolarHBondContact O-N 3.01Å; D38-R41 IonicContact OD1-CZ 3.07Å; D38-R41 IonicContact OD1-NH1 3.49Å; D38-R41 PolarHBondContact OD1-NH1 2.8Å; D38-R41 IonicContact OD1-NH2 3.54Å; D38-R41 PolarHBondContact OD1-NH2 3.2Å; D38-R41 IonicContact OD2-NH2 3.7Å; F39-R41 VanDerWaalsContact C-N 3.35Å; F39-R41 PolarHBondContact O-N 3.22Å
42W92.4Very high91.9Very high9 Ų924.4 Ų24.43%0.03412%0.117CC..Hα-helixtrans-77.1-52176-17490.7000112.7P17 W18 D38 F39 C40 L44 V328 V333 R336P17-W42 HydrophobicContact CB-CH2 4.4Å; P17-W42 HydrophobicContact CB-CZ2 3.73Å; P17-W42 HydrophobicContact CG-CD2 4.17Å; P17-W42 HydrophobicContact CG-CE3 4.26Å; P17-W42 HydrophobicContact CG-CH2 3.68Å; P17-W42 HydrophobicContact CG-CZ2 3.51Å; P17-W42 HydrophobicContact CG-CZ3 4.04Å; P17-W42 VanDerWaalsContact O-CD1 3.28Å; P17-W42 PolarHBondContact O-NE1 3.14Å; W18-W42 HydrophobicContact CB-CB 3.5Å; W18-W42 HydrophobicContact CB-CD2 4.46Å; W18-W42 HydrophobicContact CB-CG 3.86Å; D38-W42 WeakPolarHBondContact O-CB 3.41Å; D38-W42 PolarHBondContact O-N 2.75Å; F39-W42 PolarHBondContact O-N 2.91Å; C40-W42 VanDerWaalsContact C-N 3.31Å; C40-W42 PolarHBondContact O-N 3.04Å; W42-L44 PolarHBondContact O-N 3.04Å; W42-V328 HydrophobicContact CH2-CB 4.49Å; W42-V328 HydrophobicContact CH2-CG1 3.75Å; W42-V328 HydrophobicContact CZ3-CB 4.33Å; W42-V328 HydrophobicContact CZ3-CG1 3.88Å; W42-V328 HydrophobicContact CZ3-CG2 3.9Å; W42-V333 HydrophobicContact CH2-CG2 4.22Å; W42-V333 HydrophobicContact CZ2-CG2 4.18Å; W42-R336 PolarHBondContact O-NH1 3.44Å
43I92.8Very high91.8Very high0 Ų024.7 Ų24.70%012%0.118CC..Hα-helixtrans-67.3-24.2-173-161.763.9000112.7F39 L85 P86 L174 V328F39-I43 HydrophobicContact CD1-CG2 4.13Å; F39-I43 HydrophobicContact CE1-CB 4.01Å; F39-I43 HydrophobicContact CE1-CG1 4.27Å; F39-I43 HydrophobicContact CE1-CG2 3.69Å; F39-I43 HydrophobicContact CE2-CB 4.26Å; F39-I43 HydrophobicContact CE2-CD1 4.43Å; F39-I43 HydrophobicContact CE2-CG1 4.4Å; F39-I43 HydrophobicContact CZ-CB 3.85Å; F39-I43 HydrophobicContact CZ-CD1 4.2Å; F39-I43 HydrophobicContact CZ-CG1 3.8Å; F39-I43 HydrophobicContact CZ-CG2 4.06Å; F39-I43 WeakPolarHBondContact O-CB 3.43Å; F39-I43 VanDerWaalsContact O-CG2 3.31Å; F39-I43 WeakPolarHBondContact O-CG2 3.42Å; F39-I43 PolarHBondContact O-N 2.64Å; I43-L85 HydrophobicContact CD1-CD2 4.24Å; I43-L85 HydrophobicContact CG1-CD2 3.66Å; I43-P86 HydrophobicContact CD1-CG 4.14Å; I43-L174 HydrophobicContact CG2-CB 4.13Å; I43-L174 HydrophobicContact CG2-CD1 4.11Å; I43-V328 HydrophobicContact CD1-CG2 4.46Å
44L89.6Confident91.6Very high38 Ų3823.2 Ų23.220%0.19911%0.112CC..SBendtrans-53.7138.6176.1-93.2171.5000111.7C40 W42 T46 F170 L174 R336 Y357C40-L44 WeakPolarHBondContact O-CB 3.23Å; C40-L44 WeakPolarHBondContact O-CD1 3.22Å; C40-L44 WeakPolarHBondContact O-CG 3.27Å; C40-L44 PolarHBondContact O-N 3.24Å; W42-L44 PolarHBondContact O-N 3.04Å; L44-T46 PolarHBondContact O-N 3.11Å; L44-F170 HydrophobicContact CD2-CE1 3.83Å; L44-F170 HydrophobicContact CD2-CZ 3.7Å; L44-L174 HydrophobicContact CD2-CD1 4.12Å; L44-L174 HydrophobicContact CG-CD1 4.23Å; L44-R336 PolarHBondContact O-NH2 3.29Å; L44-Y357 WeakPolarHBondContact CD2-OH 3.48Å
45P86.8Confident91.3Very high22 Ų2222.4 Ų22.414%0.14311%0.109CC..PPolyproline II helixtrans-59.8132.4175.4-23.734.2000112F84P45-F84 HydrophobicContact CB-CD2 4.37Å; P45-F84 HydrophobicContact CB-CE1 4.36Å; P45-F84 HydrophobicContact CB-CE2 3.43Å; P45-F84 VanDerWaalsContact CB-CE2 3.43Å; P45-F84 HydrophobicContact CB-CZ 3.45Å; P45-F84 VanDerWaalsContact CB-CZ 3.45Å; P45-F84 HydrophobicContact CG-CD1 4.21Å; P45-F84 HydrophobicContact CG-CD2 3.61Å; P45-F84 HydrophobicContact CG-CE1 3.8Å; P45-F84 HydrophobicContact CG-CE2 3.12Å; P45-F84 HydrophobicContact CG-CG 4.15Å; P45-F84 HydrophobicContact CG-CZ 3.26Å
46T86.7Confident91.3Very high27 Ų2722.3 Ų22.317%0.16611%0.108CC..PPolyproline II helixtrans-67.1159169.259.40000110.8F5 L44 V48 E49 H50F5-T46 HydrophobicContact CD2-CG2 3.65Å; F5-T46 HydrophobicContact CE2-CG2 3.38Å; F5-T46 HydrophobicContact CZ-CG2 4.46Å; L44-T46 PolarHBondContact O-N 3.11Å; T46-V48 PolarHBondContact O-N 3.05Å; T46-E49 WeakPolarHBondContact CB-OE2 3.3Å; T46-E49 WeakPolarHBondContact CG2-OE2 3.43Å; T46-E49 PolarHBondContact N-OE2 3.1Å; T46-E49 PolarHBondContact O-N 3.16Å; T46-E49 WeakPolarHBondContact OG1-CB 3.26Å; T46-E49 VanDerWaalsContact OG1-CD 3.31Å; T46-E49 VanDerWaalsContact OG1-CG 3.24Å; T46-E49 WeakPolarHBondContact OG1-CG 3.15Å; T46-E49 PolarHBondContact OG1-N 2.98Å; T46-E49 VanDerWaalsContact OG1-N 3.11Å; T46-E49 PolarHBondContact OG1-OE2 3.35Å; T46-H50 WeakPolarHBondContact O-CB 3.27Å; T46-H50 PolarHBondContact O-N 3.11Å
47P84.5Confident91.3Very high47 Ų4723 Ų2331%0.30511%0.111SC..Hα-helixtrans-54.2-34.7171.2-26.935.5000112.9M1 Y51 V351M1-P47 HydrophobicContact SD-CG 3.93Å; P47-Y51 VanDerWaalsContact O-CB 3.24Å; P47-Y51 WeakPolarHBondContact O-CB 3.37Å; P47-Y51 PolarHBondContact O-N 2.95Å; P47-V351 HydrophobicContact CB-CG1 3.8Å; P47-V351 HydrophobicContact CB-CG2 4.32Å
48V88.8Confident91.2Very high5 Ų522.2 Ų22.23%0.0311%0.107CC..Hα-helixtrans-68-49.8177.9-178.50000111.3T46 H50 Y51 V52 I339 F343 V347 L348T46-V48 PolarHBondContact O-N 3.05Å; V48-H50 VanDerWaalsContact C-N 3.34Å; V48-H50 PolarHBondContact O-N 3.22Å; V48-Y51 PolarHBondContact O-N 3.09Å; V48-V52 HydrophobicContact CG1-CG2 4.38Å; V48-V52 WeakPolarHBondContact O-CB 3.48Å; V48-V52 VanDerWaalsContact O-CG2 3.28Å; V48-V52 WeakPolarHBondContact O-CG2 3.36Å; V48-V52 PolarHBondContact O-N 3.05Å; V48-I339 HydrophobicContact CG1-CG2 4.21Å; V48-F343 HydrophobicContact CG1-CB 3.97Å; V48-V347 HydrophobicContact CB-CG1 4.4Å; V48-V347 HydrophobicContact CG1-CB 4.33Å; V48-V347 HydrophobicContact CG1-CG1 4.34Å; V48-V347 HydrophobicContact CG2-CG1 4.22Å; V48-L348 HydrophobicContact CG2-CD2 3.76Å; V48-L348 HydrophobicContact CG2-CG 4.19Å
49E90.6Very high91.3Very high10 Ų1021.9 Ų21.95%0.04711%0.105CC..Hα-helixtrans-60.3-42.4176.6-71.7162.9130.600112.2T46 R53 R336 I339T46-E49 WeakPolarHBondContact CB-OE2 3.3Å; T46-E49 WeakPolarHBondContact CG2-OE2 3.43Å; T46-E49 PolarHBondContact N-OE2 3.1Å; T46-E49 PolarHBondContact O-N 3.16Å; T46-E49 WeakPolarHBondContact OG1-CB 3.26Å; T46-E49 VanDerWaalsContact OG1-CD 3.31Å; T46-E49 VanDerWaalsContact OG1-CG 3.24Å; T46-E49 WeakPolarHBondContact OG1-CG 3.15Å; T46-E49 PolarHBondContact OG1-N 2.98Å; T46-E49 VanDerWaalsContact OG1-N 3.11Å; T46-E49 PolarHBondContact OG1-OE2 3.35Å; E49-R53 WeakPolarHBondContact O-CG 3.14Å; E49-R53 PolarHBondContact O-N 3.25Å; E49-R53 VanDerWaalsContact O-N 3.07Å; E49-R336 VanDerWaalsContact OE1-CG 3.26Å; E49-R336 WeakPolarHBondContact OE1-CG 3.5Å; E49-R336 IonicContact OE1-CZ 2.71Å; E49-R336 IonicContact OE1-NE 2.97Å; E49-R336 PolarHBondContact OE1-NE 2.83Å; E49-R336 IonicContact OE1-NH2 3.31Å; E49-R336 PolarHBondContact OE1-NH2 3.09Å; E49-R336 IonicContact OE2-CZ 3.11Å; E49-R336 IonicContact OE2-NE 2.7Å; E49-R336 IonicContact OE2-NH2 2.66Å; E49-R336 PolarHBondContact OE2-NH2 3.44Å; E49-I339 HydrophobicContact CG-CB 4.4Å; E49-I339 HydrophobicContact CG-CG2 3.67Å
50H88.2Confident91.3Very high37 Ų3721.9 Ų21.917%0.17111%0.105CC..Hα-helixtrans-64.9-42.4177.3-171.690.2000111.5T46 V48 R53 N54 F84T46-H50 WeakPolarHBondContact O-CB 3.27Å; T46-H50 PolarHBondContact O-N 3.11Å; V48-H50 VanDerWaalsContact C-N 3.34Å; V48-H50 PolarHBondContact O-N 3.22Å; H50-R53 PolarHBondContact O-N 2.68Å; H50-N54 PolarHBondContact CD2-ND2 3.47Å; H50-N54 PolarHBondContact NE2-ND2 3.01Å; H50-N54 PolarHBondContact O-N 2.98Å; H50-N54 VanDerWaalsContact O-N 3.1Å; H50-N54 PolarHBondContact O-ND2 2.71Å; H50-F84 HydrophobicContact CB-CZ 4.48Å; H50-F84 AromaticContact ND1-CE1 3.79Å; H50-F84 AromaticContact ND1-CZ 3.7Å
51Y88.5Confident91.5Very high38 Ų3823.8 Ų23.815%0.14911%0.113CC..Hα-helixtrans-67.6-42.5178-161.7-90.8000112.4P47 V48 R53 N54 I55 V347 L350 L375P47-Y51 VanDerWaalsContact O-CB 3.24Å; P47-Y51 WeakPolarHBondContact O-CB 3.37Å; P47-Y51 PolarHBondContact O-N 2.95Å; V48-Y51 PolarHBondContact O-N 3.09Å; Y51-R53 VanDerWaalsContact C-N 3.31Å; Y51-R53 PolarHBondContact O-N 2.89Å; Y51-N54 WeakPolarHBondContact O-CB 3.44Å; Y51-N54 PolarHBondContact O-N 3.01Å; Y51-N54 VanDerWaalsContact O-N 3.12Å; Y51-I55 HydrophobicContact CD1-CD1 3.74Å; Y51-I55 HydrophobicContact CD1-CG1 4.05Å; Y51-I55 HydrophobicContact CE1-CD1 3.76Å; Y51-I55 HydrophobicContact CE1-CG1 3.95Å; Y51-I55 PolarHBondContact O-N 3.45Å; Y51-V347 HydrophobicContact CD1-CB 4.31Å; Y51-V347 HydrophobicContact CD1-CG1 3.69Å; Y51-V347 HydrophobicContact CD1-CG2 3.82Å; Y51-V347 HydrophobicContact CE1-CG2 4.49Å; Y51-V347 HydrophobicContact CG-CG1 3.69Å; Y51-L350 HydrophobicContact CE1-CD1 3.81Å; Y51-L350 HydrophobicContact CE2-CB 4.47Å; Y51-L375 HydrophobicContact CE1-CD1 4.48Å; Y51-L375 WeakPolarHBondContact OH-CD1 3.39Å
52V91.1Very high91.7Very high2 Ų222.1 Ų22.11%0.01211%0.111CC..Hα-helixtrans-57.7-44.4174.7168.40000110.7V48 N54 I55 V56 T139 I339 F343 V347V48-V52 HydrophobicContact CG1-CG2 4.38Å; V48-V52 WeakPolarHBondContact O-CB 3.48Å; V48-V52 VanDerWaalsContact O-CG2 3.28Å; V48-V52 WeakPolarHBondContact O-CG2 3.36Å; V48-V52 PolarHBondContact O-N 3.05Å; V52-N54 PolarHBondContact O-N 2.66Å; V52-I55 WeakPolarHBondContact O-CB 3.47Å; V52-I55 PolarHBondContact O-N 2.83Å; V52-V56 WeakPolarHBondContact O-CG2 3.28Å; V52-V56 PolarHBondContact O-N 2.87Å; V52-T139 HydrophobicContact CG1-CG2 3.44Å; V52-T139 VanDerWaalsContact CG1-CG2 3.44Å; V52-I339 HydrophobicContact CG1-CD1 4.29Å; V52-I339 HydrophobicContact CG2-CG2 4.46Å; V52-F343 HydrophobicContact CG2-CB 3.68Å; V52-F343 HydrophobicContact CG2-CD1 3.9Å; V52-F343 HydrophobicContact CG2-CD2 4.26Å; V52-F343 HydrophobicContact CG2-CG 3.67Å; V52-V347 HydrophobicContact CG2-CG2 4.41Å
53R93.4Very high91.9Very high6 Ų621.8 Ų21.82%0.02311%0.11CC..Hα-helixtrans-61.6-39.5174.8-73.3171175-98.8-2.5113E49 H50 Y51 V56 F57 F79 L85 P86 S88 D89 I90 V141E49-R53 WeakPolarHBondContact O-CG 3.14Å; E49-R53 PolarHBondContact O-N 3.25Å; E49-R53 VanDerWaalsContact O-N 3.07Å; H50-R53 PolarHBondContact O-N 2.68Å; Y51-R53 VanDerWaalsContact C-N 3.31Å; Y51-R53 PolarHBondContact O-N 2.89Å; R53-V56 PolarHBondContact O-N 3.02Å; R53-F57 PolarHBondContact O-N 2.91Å; R53-F79 HydrophobicContact CB-CD2 4.24Å; R53-F79 HydrophobicContact CB-CE2 3.48Å; R53-F79 VanDerWaalsContact CB-CE2 3.48Å; R53-F79 HydrophobicContact CB-CZ 3.68Å; R53-F79 HydrophobicContact CG-CE2 4.34Å; R53-L85 PolarHBondContact NH2-O 2.98Å; R53-P86 PolarHBondContact NH2-O 3.49Å; R53-S88 PolarHBondContact NH1-O 2.86Å; R53-S88 PolarHBondContact NH2-O 3.5Å; R53-D89 PolarHBondContact NH1-O 2.84Å; R53-I90 HydrophobicContact CB-CD1 3.84Å; R53-I90 HydrophobicContact CG-CD1 4.07Å; R53-I90 HydrophobicContact CG-CG1 4.45Å; R53-I90 WeakPolarHBondContact O-CD1 3.47Å; R53-V141 HydrophobicContact CG-CG1 4.49Å; R53-V141 HydrophobicContact CG-CG2 4.45Å
54N91.2Very high92.2Very high15 Ų1521.8 Ų21.88%0.0811%0.11CC..Hα-helixtrans-62.4-42.9173.5-78.7-72.8000111.9H50 Y51 V52 V56 F57 F58H50-N54 PolarHBondContact CD2-ND2 3.47Å; H50-N54 PolarHBondContact NE2-ND2 3.01Å; H50-N54 PolarHBondContact O-N 2.98Å; H50-N54 VanDerWaalsContact O-N 3.1Å; H50-N54 PolarHBondContact O-ND2 2.71Å; Y51-N54 WeakPolarHBondContact O-CB 3.44Å; Y51-N54 PolarHBondContact O-N 3.01Å; Y51-N54 VanDerWaalsContact O-N 3.12Å; V52-N54 PolarHBondContact O-N 2.66Å; N54-V56 VanDerWaalsContact C-N 3.33Å; N54-V56 PolarHBondContact O-N 2.92Å; N54-F57 PolarHBondContact O-N 2.9Å; N54-F58 HydrophobicContact CB-CD2 4.45Å; N54-F58 HydrophobicContact CB-CE2 4.36Å; N54-F58 WeakPolarHBondContact O-CD2 3.35Å; N54-F58 PolarHBondContact O-N 3.12Å
55I90.6Very high92.5Very high35 Ų3522.6 Ų22.618%0.17911%0.114CC..Hα-helixtrans-56.4-47.8174.2-65.6168.8000110.6Y51 V52 F57 F58 Q59Y51-I55 HydrophobicContact CD1-CD1 3.74Å; Y51-I55 HydrophobicContact CD1-CG1 4.05Å; Y51-I55 HydrophobicContact CE1-CD1 3.76Å; Y51-I55 HydrophobicContact CE1-CG1 3.95Å; Y51-I55 PolarHBondContact O-N 3.45Å; V52-I55 WeakPolarHBondContact O-CB 3.47Å; V52-I55 PolarHBondContact O-N 2.83Å; I55-F57 PolarHBondContact O-N 2.92Å; I55-F58 PolarHBondContact O-N 3.27Å; I55-Q59 HydrophobicContact CG2-CG 4.36Å; I55-Q59 VanDerWaalsContact CG2-NE2 3.27Å; I55-Q59 WeakPolarHBondContact O-CG 3.45Å; I55-Q59 PolarHBondContact O-N 3.13Å
56V95.1Very high93Very high0 Ų027.6 Ų27.60%013%0.133CC..Hα-helixtrans-58.3-48.2178.5177.50000111.2V52 R53 N54 F58 Q59 V60 I90 H136 T139 V141 V143V52-V56 WeakPolarHBondContact O-CG2 3.28Å; V52-V56 PolarHBondContact O-N 2.87Å; R53-V56 PolarHBondContact O-N 3.02Å; N54-V56 VanDerWaalsContact C-N 3.33Å; N54-V56 PolarHBondContact O-N 2.92Å; V56-F58 PolarHBondContact O-N 3.09Å; V56-Q59 PolarHBondContact O-N 3.29Å; V56-V60 WeakPolarHBondContact O-CG2 3.46Å; V56-V60 PolarHBondContact O-N 2.98Å; V56-I90 HydrophobicContact CB-CD1 4.1Å; V56-I90 HydrophobicContact CG1-CD1 4.11Å; V56-H136 HydrophobicContact CG1-CB 3.9Å; V56-H136 HydrophobicContact CG2-CB 4.19Å; V56-H136 WeakPolarHBondContact CG2-ND1 3.3Å; V56-T139 HydrophobicContact CG2-CG2 4.07Å; V56-T139 VanDerWaalsContact CG2-OG1 3.31Å; V56-T139 WeakPolarHBondContact CG2-OG1 3.18Å; V56-V141 HydrophobicContact CG2-CB 4.27Å; V56-V141 HydrophobicContact CG2-CG2 4.41Å; V56-V143 HydrophobicContact CG1-CG2 3.58Å
57F95.9Very high93.4Very high15 Ų1528.7 Ų28.77%0.06614%0.138CC..Hα-helixtrans-57.7-47.6176.2169.3-119.5000112.2R53 N54 I55 Q59 V60 K61 V73 C75 I92R53-F57 PolarHBondContact O-N 2.91Å; N54-F57 PolarHBondContact O-N 2.9Å; I55-F57 PolarHBondContact O-N 2.92Å; F57-Q59 PolarHBondContact O-N 2.97Å; F57-V60 PolarHBondContact O-N 2.94Å; F57-K61 HydrophobicContact CE1-CD 4.04Å; F57-K61 HydrophobicContact CE2-CB 4.37Å; F57-K61 HydrophobicContact CE2-CD 4.17Å; F57-K61 HydrophobicContact CZ-CD 3.61Å; F57-K61 VanDerWaalsContact O-CB 3.28Å; F57-K61 WeakPolarHBondContact O-CB 3.48Å; F57-K61 PolarHBondContact O-N 3.19Å; F57-V73 HydrophobicContact CE2-CG1 4.28Å; F57-C75 WeakPolarHBondContact CD2-SG 3.4Å; F57-C75 WeakPolarHBondContact CE2-SG 3.43Å; F57-C75 WeakPolarHBondContact CG-SG 3.47Å; F57-I92 HydrophobicContact CD2-CD1 3.84Å; F57-I92 HydrophobicContact CD2-CG1 4.15Å; F57-I92 HydrophobicContact CE2-CD1 4.47Å
58F94.6Very high94Very high24 Ų2429 Ų2911%0.10513%0.133CC..Hα-helixtrans-64.3-39.7-179.6-76.9-63.3000112.7N54 I55 V56 K61 E62 I369 C372 L376N54-F58 HydrophobicContact CB-CD2 4.45Å; N54-F58 HydrophobicContact CB-CE2 4.36Å; N54-F58 WeakPolarHBondContact O-CD2 3.35Å; N54-F58 PolarHBondContact O-N 3.12Å; I55-F58 PolarHBondContact O-N 3.27Å; V56-F58 PolarHBondContact O-N 3.09Å; F58-K61 PolarHBondContact O-N 2.57Å; F58-E62 WeakPolarHBondContact O-CG 3.11Å; F58-E62 PolarHBondContact O-N 2.86Å; F58-I369 HydrophobicContact CE1-CG1 4.22Å; F58-I369 HydrophobicContact CZ-CG1 4.23Å; F58-C372 HydrophobicContact CD2-CB 3.59Å; F58-C372 HydrophobicContact CE2-CB 3.72Å; F58-C372 WeakPolarHBondContact CE2-SG 3.29Å; F58-C372 HydrophobicContact CG-CB 4.14Å; F58-C372 HydrophobicContact CZ-CB 4.33Å; F58-L376 HydrophobicContact CB-CD1 4.05Å
59Q94.9Very high94.4Very high3 Ų333.4 Ų33.41%0.01416%0.162CC..Hα-helixtrans-62.8-43.8175.5-69.3-176.328.800112.2I55 V56 F57 E62 A63 I115 H136 L376 R379I55-Q59 HydrophobicContact CG2-CG 4.36Å; I55-Q59 VanDerWaalsContact CG2-NE2 3.27Å; I55-Q59 WeakPolarHBondContact O-CG 3.45Å; I55-Q59 PolarHBondContact O-N 3.13Å; V56-Q59 PolarHBondContact O-N 3.29Å; F57-Q59 PolarHBondContact O-N 2.97Å; Q59-E62 PolarHBondContact O-N 3.47Å; Q59-A63 PolarHBondContact O-N 3.5Å; Q59-A63 VanDerWaalsContact O-N 3.12Å; Q59-I115 HydrophobicContact CB-CD1 4.32Å; Q59-I115 WeakPolarHBondContact O-CD1 3.31Å; Q59-H136 PolarHBondContact OE1-NE2 2.96Å; Q59-L376 HydrophobicContact CG-CD2 3.68Å; Q59-R379 VanDerWaalsContact OE1-CZ 3.26Å; Q59-R379 VanDerWaalsContact OE1-NH1 3.09Å
60V96.9Very high94.6Very high0 Ų040.6 Ų40.60%020%0.201CC..Hα-helixtrans-64.8-43.1175.8171.70000110.8V56 F57 A63 I64 I92 L110 I115 L134 I145V56-V60 WeakPolarHBondContact O-CG2 3.46Å; V56-V60 PolarHBondContact O-N 2.98Å; F57-V60 PolarHBondContact O-N 2.94Å; V60-A63 PolarHBondContact O-N 2.83Å; V60-I64 HydrophobicContact CG1-CD1 3.68Å; V60-I64 HydrophobicContact CG1-CG1 4.44Å; V60-I64 WeakPolarHBondContact O-CD1 3.26Å; V60-I64 VanDerWaalsContact O-CG1 3.28Å; V60-I64 WeakPolarHBondContact O-CG1 3.45Å; V60-I64 PolarHBondContact O-N 3.3Å; V60-I92 HydrophobicContact CB-CD1 4.11Å; V60-I92 HydrophobicContact CG1-CD1 3.65Å; V60-L110 HydrophobicContact CG1-CD2 4.37Å; V60-L110 HydrophobicContact CG2-CD2 4.39Å; V60-I115 HydrophobicContact CG2-CG2 4Å; V60-L134 HydrophobicContact CG2-CD1 4.49Å; V60-I145 HydrophobicContact CG1-CD1 3.59Å; V60-I145 HydrophobicContact CG1-CG1 4.39Å
61K97.3Very high94.9Very high44 Ų4439.3 Ų39.319%0.19120%0.196CC..Hα-helixtrans-62-41.8176.6-179.8158.2-178.2163.90112.3F57 F58 I64 L65 V73 E74F57-K61 HydrophobicContact CE1-CD 4.04Å; F57-K61 HydrophobicContact CE2-CB 4.37Å; F57-K61 HydrophobicContact CE2-CD 4.17Å; F57-K61 HydrophobicContact CZ-CD 3.61Å; F57-K61 VanDerWaalsContact O-CB 3.28Å; F57-K61 WeakPolarHBondContact O-CB 3.48Å; F57-K61 PolarHBondContact O-N 3.19Å; F58-K61 PolarHBondContact O-N 2.57Å; K61-I64 PolarHBondContact O-N 2.78Å; K61-L65 HydrophobicContact CG-CD1 3.79Å; K61-L65 HydrophobicContact CG-CG 4.32Å; K61-L65 WeakPolarHBondContact O-CB 3.49Å; K61-L65 VanDerWaalsContact O-CG 3.27Å; K61-L65 WeakPolarHBondContact O-CG 3.43Å; K61-L65 PolarHBondContact O-N 3.35Å; K61-V73 HydrophobicContact CB-CG1 4.13Å; K61-V73 HydrophobicContact CD-CB 3.93Å; K61-V73 HydrophobicContact CD-CG1 4.21Å; K61-V73 WeakPolarHBondContact CE-O 3.39Å; K61-V73 HydrophobicContact CG-CB 3.9Å; K61-V73 HydrophobicContact CG-CG1 4.03Å; K61-V73 HydrophobicContact CG-CG2 4.36Å; K61-V73 PolarHBondContact NZ-O 2.86Å; K61-E74 IonicContact NZ-OE1 2.73Å
62E96.3Very high95.3Very high87 Ų8742.7 Ų42.741%0.40722%0.216SC..Hα-helixtrans-63.6-41.2174.4-76.6-171.115300112.3F58 Q59 L65 K66F58-E62 WeakPolarHBondContact O-CG 3.11Å; F58-E62 PolarHBondContact O-N 2.86Å; Q59-E62 PolarHBondContact O-N 3.47Å; E62-L65 PolarHBondContact O-N 3.37Å; E62-K66 VanDerWaalsContact O-CB 3.3Å; E62-K66 WeakPolarHBondContact O-CB 3.37Å; E62-K66 PolarHBondContact O-N 3.49Å
63A97.3Very high95.5Very high2 Ų242.6 Ų42.62%0.01722%0.216CC..Hα-helixtrans-65-39.2175.900000112.6Q59 V60 L110 C113 I115Q59-A63 PolarHBondContact O-N 3.5Å; Q59-A63 VanDerWaalsContact O-N 3.12Å; V60-A63 PolarHBondContact O-N 2.83Å; A63-L110 HydrophobicContact CB-CD2 4.14Å; A63-C113 HydrophobicContact CB-CB 4.38Å; A63-I115 HydrophobicContact CB-CD1 3.64Å
64I97.4Very high95.5Very high0 Ų044.9 Ų44.90%023%0.226CC..Hα-helixtrans-65.1-50.2175.1-67.9161.3000111V60 K61 K66 L67 W68 V73 V94 L106 I145V60-I64 HydrophobicContact CG1-CD1 3.68Å; V60-I64 HydrophobicContact CG1-CG1 4.44Å; V60-I64 WeakPolarHBondContact O-CD1 3.26Å; V60-I64 VanDerWaalsContact O-CG1 3.28Å; V60-I64 WeakPolarHBondContact O-CG1 3.45Å; V60-I64 PolarHBondContact O-N 3.3Å; K61-I64 PolarHBondContact O-N 2.78Å; I64-K66 PolarHBondContact O-N 3.49Å; I64-L67 WeakPolarHBondContact O-CB 3.41Å; I64-L67 PolarHBondContact O-N 3.47Å; I64-W68 HydrophobicContact CG2-CE3 4.13Å; I64-W68 PolarHBondContact O-N 3.07Å; I64-V73 HydrophobicContact CB-CG2 4.17Å; I64-V73 HydrophobicContact CD1-CG1 3.79Å; I64-V73 HydrophobicContact CG2-CG2 3.52Å; I64-V94 HydrophobicContact CD1-CG2 3.96Å; I64-V94 HydrophobicContact CG2-CG1 3.66Å; I64-V94 HydrophobicContact CG2-CG2 4.43Å; I64-L106 HydrophobicContact CD1-CD1 4.44Å; I64-L106 HydrophobicContact CG1-CD1 3.55Å; I64-I145 HydrophobicContact CD1-CG2 4.46Å
65L97.1Very high95.6Very high56 Ų5644.4 Ų44.429%0.29322%0.224SC..Hα-helixtrans-67.2-21-178.4-69.1173.8000113.1K61 E62 W68 P69 A71 V73K61-L65 HydrophobicContact CG-CD1 3.79Å; K61-L65 HydrophobicContact CG-CG 4.32Å; K61-L65 WeakPolarHBondContact O-CB 3.49Å; K61-L65 VanDerWaalsContact O-CG 3.27Å; K61-L65 WeakPolarHBondContact O-CG 3.43Å; K61-L65 PolarHBondContact O-N 3.35Å; E62-L65 PolarHBondContact O-N 3.37Å; L65-W68 CarbonylContact O-C 3.58Å; L65-P69 VanDerWaalsContact O-CA 3.29Å; L65-P69 WeakPolarHBondContact O-CA 3.34Å; L65-A71 VanDerWaalsContact CD2-O 3.23Å; L65-A71 WeakPolarHBondContact CD2-O 3.37Å; L65-V73 HydrophobicContact CD2-CG2 4.09Å; L65-V73 HydrophobicContact CG-CG2 4.25Å
66K96.3Very high95.5Very high126 Ų12644.2 Ų44.255%0.54822%0.222SC..Hα-helixtrans-71.5-28171.1-175.9-177.2176.1-162.60113E62 I64 E109E62-K66 VanDerWaalsContact O-CB 3.3Å; E62-K66 WeakPolarHBondContact O-CB 3.37Å; E62-K66 PolarHBondContact O-N 3.49Å; I64-K66 PolarHBondContact O-N 3.49Å; K66-E109 WeakPolarHBondContact CD-OE1 3.43Å; K66-E109 WeakPolarHBondContact CE-OE1 3.42Å; K66-E109 IonicContact NZ-OE1 3.74Å; K66-E109 PolarHBondContact NZ-OE1 3.38Å
67L96.3Very high95.3Very high51 Ų5145.2 Ų45.227%0.26723%0.233SC..Hα-helixtrans-83.7-44.6170.8-67.7177.5000111.8I64 S105 E109I64-L67 WeakPolarHBondContact O-CB 3.41Å; I64-L67 PolarHBondContact O-N 3.47Å; L67-S105 WeakPolarHBondContact CD1-O 3.42Å; L67-E109 HydrophobicContact CD1-CB 3.7Å; L67-E109 HydrophobicContact CD1-CG 4.33Å; L67-E109 HydrophobicContact CD2-CB 3.95Å; L67-E109 HydrophobicContact CD2-CG 4.05Å; L67-E109 HydrophobicContact CG-CB 3.87Å; L67-E109 HydrophobicContact CG-CG 3.96Å
68W96.7Very high94.9Very high53 Ų5345.1 Ų45.120%0.20123%0.234CC..  trans-133.886.5-173.4-52.6-60.2000110I64 L65 D70 A71 W98 P102 L106 F147I64-W68 HydrophobicContact CG2-CE3 4.13Å; I64-W68 PolarHBondContact O-N 3.07Å; L65-W68 CarbonylContact O-C 3.58Å; W68-D70 PolarHBondContact O-N 3.25Å; W68-A71 HydrophobicContact CB-CB 3.77Å; W68-A71 WeakPolarHBondContact O-CB 3.45Å; W68-A71 PolarHBondContact O-N 2.84Å; W68-A71 VanDerWaalsContact O-N 3.07Å; W68-W98 HydrophobicContact CD2-CZ2 4.41Å; W68-W98 HydrophobicContact CE3-CZ2 4.39Å; W68-W98 AromaticContact NE1-NE1 4Å; W68-P102 HydrophobicContact CH2-CB 3.93Å; W68-P102 HydrophobicContact CH2-CG 3.43Å; W68-P102 VanDerWaalsContact CH2-CG 3.43Å; W68-P102 HydrophobicContact CZ2-CB 3.59Å; W68-P102 HydrophobicContact CZ2-CG 3.3Å; W68-P102 HydrophobicContact CZ3-CG 4.18Å; W68-L106 HydrophobicContact CH2-CB 4.02Å; W68-L106 HydrophobicContact CZ3-CB 4.22Å; W68-F147 HydrophobicContact CH2-CE1 4.44Å; W68-F147 HydrophobicContact CH2-CZ 4.37Å; W68-F147 HydrophobicContact CZ3-CE1 4.05Å; W68-F147 HydrophobicContact CZ3-CZ 4.1Å
69P96.2Very high94.7Very high97 Ų9744.3 Ų44.363%0.6323%0.231SC*.THydrogen-bonded Turntrans-58-30.3-177.3-27.436.1000114.3L65L65-P69 VanDerWaalsContact O-CA 3.29Å; L65-P69 WeakPolarHBondContact O-CA 3.34Å
70D95.3Very high94.4Very high161 Ų16146.8 Ų46.886%0.86124%0.24SC*.THydrogen-bonded Turntrans-880.3-178.9-51-54.8000113.7W68W68-D70 PolarHBondContact O-N 3.25Å
71A95.9Very high93.9Very high10 Ų1047 Ų478%0.08324%0.241CC..  trans-76.4138.3-179.900000111.8L65 W68 V94 M95 W98L65-A71 VanDerWaalsContact CD2-O 3.23Å; L65-A71 WeakPolarHBondContact CD2-O 3.37Å; W68-A71 HydrophobicContact CB-CB 3.77Å; W68-A71 WeakPolarHBondContact O-CB 3.45Å; W68-A71 PolarHBondContact O-N 2.84Å; W68-A71 VanDerWaalsContact O-N 3.07Å; A71-V94 HydrophobicContact CB-CG1 4.06Å; A71-M95 WeakPolarHBondContact CA-O 3.49Å; A71-W98 HydrophobicContact CB-CZ2 4.23Å
72I94.9Very high93.5Very high109 Ų10945.6 Ų45.656%0.55924%0.237SC*.EExtended strand (participates in β ladder)trans-89124.4172.7-55.2170.7000108E74 V94 M95I72-E74 HydrophobicContact CG2-CG 4.23Å; I72-V94 WeakPolarHBondContact O-CA 3.49Å; I72-M95 HydrophobicContact CB-CB 4.19Å; I72-M95 PolarHBondContact N-O 3.12Å; I72-M95 PolarHBondContact O-N 2.93Å
73V95.5Very high93.1Very high1 Ų141.5 Ų41.51%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-122111.7-175.5-169.70000109.7F57 K61 I64 L65 I92 V94F57-V73 HydrophobicContact CE2-CG1 4.28Å; K61-V73 HydrophobicContact CB-CG1 4.13Å; K61-V73 HydrophobicContact CD-CB 3.93Å; K61-V73 HydrophobicContact CD-CG1 4.21Å; K61-V73 WeakPolarHBondContact CE-O 3.39Å; K61-V73 HydrophobicContact CG-CB 3.9Å; K61-V73 HydrophobicContact CG-CG1 4.03Å; K61-V73 HydrophobicContact CG-CG2 4.36Å; K61-V73 PolarHBondContact NZ-O 2.86Å; I64-V73 HydrophobicContact CB-CG2 4.17Å; I64-V73 HydrophobicContact CD1-CG1 3.79Å; I64-V73 HydrophobicContact CG2-CG2 3.52Å; L65-V73 HydrophobicContact CD2-CG2 4.09Å; L65-V73 HydrophobicContact CG-CG2 4.25Å; V73-I92 HydrophobicContact CG1-CG2 3.81Å; V73-V94 HydrophobicContact CG2-CG1 4.26Å
74E93.7Very high92.9Very high53 Ų5341.5 Ų41.525%0.24822%0.217CC..EExtended strand (participates in β ladder)trans-129.5148.7-176.1-74.3-62.3123.100111.8K61 I72 R80 I92 V93 I153K61-E74 IonicContact NZ-OE1 2.73Å; I72-E74 HydrophobicContact CG2-CG 4.23Å; E74-R80 IonicContact OE2-CZ 2.79Å; E74-R80 IonicContact OE2-NH1 2.64Å; E74-R80 PolarHBondContact OE2-NH1 3.06Å; E74-I92 WeakPolarHBondContact O-CA 3.38Å; E74-V93 HydrophobicContact CB-CG1 4.2Å; E74-V93 PolarHBondContact N-O 3.26Å; E74-V93 PolarHBondContact O-N 2.94Å; E74-I153 HydrophobicContact CB-CD1 4.41Å
75C92.8Very high92.7Very high6 Ų641.7 Ų41.74%0.04122%0.218CC..EExtended strand (participates in β ladder)trans-80.5141.8164.8-740000110.3F57 F79 D91F57-C75 WeakPolarHBondContact CD2-SG 3.4Å; F57-C75 WeakPolarHBondContact CE2-SG 3.43Å; F57-C75 WeakPolarHBondContact CG-SG 3.47Å; C75-F79 HydrophobicContact CB-CD1 3.94Å; C75-D91 WeakPolarHBondContact CA-O 3.28Å
76F90.4Very high92.4Very high30 Ų3039.1 Ų39.113%0.13221%0.205CC..  trans-124.8-162.6169.668.5-89.7000111.1R80 D91 I92 V93 C152F76-R80 PolarHBondContact O-N 2.85Å; F76-D91 HydrophobicContact CD1-CB 3.97Å; F76-D91 HydrophobicContact CD2-CB 3.73Å; F76-D91 HydrophobicContact CE1-CB 3.84Å; F76-D91 HydrophobicContact CE2-CB 3.6Å; F76-D91 HydrophobicContact CG-CB 3.94Å; F76-D91 HydrophobicContact CZ-CB 3.67Å; F76-D91 PolarHBondContact N-O 3.41Å; F76-I92 VanDerWaalsContact CE1-C 3.46Å; F76-V93 HydrophobicContact CD1-CB 3.79Å; F76-V93 HydrophobicContact CD1-CG1 3.99Å; F76-V93 HydrophobicContact CE1-CB 3.88Å; F76-C152 HydrophobicContact CB-CB 4.19Å; F76-C152 HydrophobicContact CD1-CB 4.25Å; F76-C152 HydrophobicContact CD2-CB 3.49Å; F76-C152 VanDerWaalsContact CD2-CB 3.49Å; F76-C152 HydrophobicContact CE1-CB 4.46Å; F76-C152 HydrophobicContact CE2-CB 3.76Å; F76-C152 HydrophobicContact CG-CB 3.75Å; F76-C152 HydrophobicContact CZ-CB 4.23Å
77G89.1Confident92.2Very high22 Ų2235 Ų3523%0.22719%0.19CC..Hα-helixtrans61.5-144.4167.200000113.1F79 R80 T81G77-F79 VanDerWaalsContact C-N 3.28Å; G77-F79 PolarHBondContact O-N 3.37Å; G77-R80 PolarHBondContact O-N 3.14Å; G77-T81 WeakPolarHBondContact O-CG2 3.36Å; G77-T81 PolarHBondContact O-N 3.44Å; G77-T81 VanDerWaalsContact O-N 3.1Å; G77-T81 PolarHBondContact O-OG1 3.35Å
78S88.9Confident92.1Very high13 Ų1333.6 Ų33.69%0.09119%0.185CC..Hα-helixtrans-69.6-26-168.970.70000113.8S82 L83 F84 D91S78-S82 CarbonylContact O-C 3.58Å; S78-S82 PolarHBondContact O-N 2.79Å; S78-L83 PolarHBondContact O-N 3.2Å; S78-F84 PolarHBondContact O-N 2.87Å; S78-F84 WeakPolarHBondContact OG-CB 3.46Å; S78-D91 PolarHBondContact N-OD2 3.33Å
79F90.1Very high92Very high7 Ų732.8 Ų32.83%0.03118%0.184CC..Hα-helixtrans-73.6-43.3176.1-173-126.2000111.4R53 C75 G77 S82 F84 I90R53-F79 HydrophobicContact CB-CD2 4.24Å; R53-F79 HydrophobicContact CB-CE2 3.48Å; R53-F79 VanDerWaalsContact CB-CE2 3.48Å; R53-F79 HydrophobicContact CB-CZ 3.68Å; R53-F79 HydrophobicContact CG-CE2 4.34Å; C75-F79 HydrophobicContact CB-CD1 3.94Å; G77-F79 VanDerWaalsContact C-N 3.28Å; G77-F79 PolarHBondContact O-N 3.37Å; F79-S82 PolarHBondContact O-N 3.25Å; F79-F84 AromaticContact CD2-CD1 3.83Å; F79-F84 HydrophobicContact CD2-CD1 3.83Å; F79-F84 AromaticContact CD2-CE1 3.57Å; F79-F84 HydrophobicContact CD2-CE1 3.57Å; F79-F84 HydrophobicContact CD2-CG 4.45Å; F79-F84 HydrophobicContact CD2-CZ 4Å; F79-F84 AromaticContact CE2-CE1 3.98Å; F79-F84 HydrophobicContact CE2-CE1 3.98Å; F79-F84 HydrophobicContact CE2-CZ 4.11Å; F79-I90 HydrophobicContact CD1-CG2 3.93Å; F79-I90 HydrophobicContact CG-CG2 4.46Å
80R88Confident91.9Very high54 Ų5428.1 Ų28.120%0.20415%0.154CC..Hα-helixtrans-66.5-36.4176.6-174.958.2174.3-123.13.5113E74 F76 G77 S82 A156E74-R80 IonicContact OE2-CZ 2.79Å; E74-R80 IonicContact OE2-NH1 2.64Å; E74-R80 PolarHBondContact OE2-NH1 3.06Å; F76-R80 PolarHBondContact O-N 2.85Å; G77-R80 PolarHBondContact O-N 3.14Å; R80-S82 VanDerWaalsContact C-N 3.33Å; R80-A156 HydrophobicContact CG-CB 4.34Å
81T87Confident91.9Very high6 Ų622.1 Ų22.14%0.03712%0.122CC..THydrogen-bonded Turntrans-87.13.4179.666.40000113.9G77 L83 A156 L159 M160 M163G77-T81 WeakPolarHBondContact O-CG2 3.36Å; G77-T81 PolarHBondContact O-N 3.44Å; G77-T81 VanDerWaalsContact O-N 3.1Å; G77-T81 PolarHBondContact O-OG1 3.35Å; T81-L83 PolarHBondContact O-N 3.01Å; T81-L83 WeakPolarHBondContact OG1-CB 3.43Å; T81-A156 HydrophobicContact CG2-CB 3.93Å; T81-L159 HydrophobicContact CG2-CB 4.18Å; T81-M160 HydrophobicContact CG2-CG 4.16Å; T81-M163 WeakPolarHBondContact O-CE 3.44Å
82S88.2Confident92Very high13 Ų1321.7 Ų21.79%0.09112%0.118CC..THydrogen-bonded Turntrans55.716.8-171.8-62.20000115.6S78 F79 R80 F84 F170S78-S82 CarbonylContact O-C 3.58Å; S78-S82 PolarHBondContact O-N 2.79Å; F79-S82 PolarHBondContact O-N 3.25Å; R80-S82 VanDerWaalsContact C-N 3.33Å; S82-F84 VanDerWaalsContact C-N 3.31Å; S82-F84 PolarHBondContact O-N 3.08Å; S82-F170 WeakPolarHBondContact O-CE2 3.35Å
83L89.2Confident92Very high1 Ų116.5 Ų16.51%0.0059%0.092CC..  trans-9218.8178.2-69.2175.6000112.7S78 T81 M163 F170 A173 K177 T199S78-L83 PolarHBondContact O-N 3.2Å; T81-L83 PolarHBondContact O-N 3.01Å; T81-L83 WeakPolarHBondContact OG1-CB 3.43Å; L83-M163 HydrophobicContact CD1-CE 4.38Å; L83-M163 HydrophobicContact CD1-SD 3.8Å; L83-M163 HydrophobicContact CD2-SD 3.78Å; L83-M163 HydrophobicContact CG-CE 4.42Å; L83-M163 HydrophobicContact CG-SD 3.82Å; L83-F170 HydrophobicContact CD2-CD2 3.53Å; L83-F170 HydrophobicContact CD2-CE2 3.81Å; L83-F170 HydrophobicContact CD2-CG 4.23Å; L83-F170 HydrophobicContact CG-CD2 4.48Å; L83-A173 HydrophobicContact CD1-CB 4.35Å; L83-A173 HydrophobicContact CD2-CB 3.87Å; L83-K177 WeakPolarHBondContact O-CE 3.41Å; L83-K177 PolarHBondContact O-NZ 2.86Å; L83-T199 HydrophobicContact CD1-CG2 4.34Å
84F91.8Very high92Very high2 Ų216.5 Ų16.51%0.0099%0.092CC..  trans-81.2135.5-176.568.4-89.6000111.7P45 H50 S78 F79 S82P45-F84 HydrophobicContact CB-CD2 4.37Å; P45-F84 HydrophobicContact CB-CE1 4.36Å; P45-F84 HydrophobicContact CB-CE2 3.43Å; P45-F84 VanDerWaalsContact CB-CE2 3.43Å; P45-F84 HydrophobicContact CB-CZ 3.45Å; P45-F84 VanDerWaalsContact CB-CZ 3.45Å; P45-F84 HydrophobicContact CG-CD1 4.21Å; P45-F84 HydrophobicContact CG-CD2 3.61Å; P45-F84 HydrophobicContact CG-CE1 3.8Å; P45-F84 HydrophobicContact CG-CE2 3.12Å; P45-F84 HydrophobicContact CG-CG 4.15Å; P45-F84 HydrophobicContact CG-CZ 3.26Å; H50-F84 HydrophobicContact CB-CZ 4.48Å; H50-F84 AromaticContact ND1-CE1 3.79Å; H50-F84 AromaticContact ND1-CZ 3.7Å; S78-F84 PolarHBondContact O-N 2.87Å; S78-F84 WeakPolarHBondContact OG-CB 3.46Å; F79-F84 AromaticContact CD2-CD1 3.83Å; F79-F84 HydrophobicContact CD2-CD1 3.83Å; F79-F84 AromaticContact CD2-CE1 3.57Å; F79-F84 HydrophobicContact CD2-CE1 3.57Å; F79-F84 HydrophobicContact CD2-CG 4.45Å; F79-F84 HydrophobicContact CD2-CZ 4Å; F79-F84 AromaticContact CE2-CE1 3.98Å; F79-F84 HydrophobicContact CE2-CE1 3.98Å; F79-F84 HydrophobicContact CE2-CZ 4.11Å; S82-F84 VanDerWaalsContact C-N 3.31Å; S82-F84 PolarHBondContact O-N 3.08Å
85L93.1Very high92.1Very high4 Ų415.8 Ų15.82%0.0219%0.089CC..  trans-79.9162.3168.4-59177.9000109I43 R53 T87 S88 L174 K177 Q178 L181I43-L85 HydrophobicContact CD1-CD2 4.24Å; I43-L85 HydrophobicContact CG1-CD2 3.66Å; R53-L85 PolarHBondContact NH2-O 2.98Å; L85-T87 PolarHBondContact O-N 2.86Å; L85-S88 WeakPolarHBondContact CB-OG 3.48Å; L85-S88 PolarHBondContact N-OG 3.38Å; L85-S88 WeakPolarHBondContact O-CB 3.49Å; L85-S88 PolarHBondContact O-N 2.87Å; L85-S88 PolarHBondContact O-OG 3.47Å; L85-L174 HydrophobicContact CD2-CD2 4.19Å; L85-K177 HydrophobicContact CD1-CB 3.87Å; L85-K177 HydrophobicContact CD2-CB 4.44Å; L85-K177 HydrophobicContact CG-CB 4.27Å; L85-Q178 HydrophobicContact CD1-CB 4.42Å; L85-L181 HydrophobicContact CD1-CB 4.43Å; L85-L181 HydrophobicContact CD1-CD2 3.72Å
86P91.3Very high92.1Very high3 Ų316.4 Ų16.42%0.01910%0.096CC..THydrogen-bonded Turntrans-52.5-34.8-175.5-30.137.2000114.5I43 R53 T332 R336I43-P86 HydrophobicContact CD1-CG 4.14Å; R53-P86 PolarHBondContact NH2-O 3.49Å; P86-T332 HydrophobicContact CB-CG2 4.43Å; P86-R336 HydrophobicContact CB-CG 3.8Å; P86-R336 HydrophobicContact CG-CG 4.34Å; P86-R336 VanDerWaalsContact CG-CZ 3.46Å
87T91.3Very high92.1Very high38 Ų3823.2 Ų23.223%0.23313%0.134CC..THydrogen-bonded Turntrans-101.96.6-179.452.80000114.8L85 K142 T332 Y335L85-T87 PolarHBondContact O-N 2.86Å; T87-K142 PolarHBondContact O-NZ 3.01Å; T87-T332 HydrophobicContact CG2-CG2 4.13Å; T87-Y335 HydrophobicContact CG2-CD1 4.11Å
88S94.3Very high92.1Very high22 Ų2224.4 Ų24.415%0.15413%0.132CC..  trans-68.2154.2174.7-66.90000112.2R53 L85R53-S88 PolarHBondContact NH1-O 2.86Å; R53-S88 PolarHBondContact NH2-O 3.5Å; L85-S88 WeakPolarHBondContact CB-OG 3.48Å; L85-S88 PolarHBondContact N-OG 3.38Å; L85-S88 WeakPolarHBondContact O-CB 3.49Å; L85-S88 PolarHBondContact O-N 2.87Å; L85-S88 PolarHBondContact O-OG 3.47Å
89D94.8Very high91.9Very high36 Ų3632.1 Ų32.119%0.19317%0.172CC..  trans-79.6170.5-175.1-56.63.7000110.4R53 K142R53-D89 PolarHBondContact NH1-O 2.84Å; D89-K142 CarbonylContact C-O 3.58Å; D89-K142 WeakPolarHBondContact CA-O 3.45Å; D89-K142 HydrophobicContact CB-CB 3.98Å; D89-K142 VanDerWaalsContact CG-CB 3.42Å; D89-K142 VanDerWaalsContact OD1-CB 3.28Å; D89-K142 WeakPolarHBondContact OD1-CB 3.49Å; D89-K142 WeakPolarHBondContact OD1-CD 3.41Å; D89-K142 WeakPolarHBondContact OD1-CE 3.37Å; D89-K142 IonicContact OD1-NZ 3.99Å; D89-K142 PolarHBondContact OD1-NZ 3.39Å
90I95.3Very high91.9Very high0 Ų041.9 Ų41.90%021%0.209CC..EExtended strand (participates in β ladder)trans-102.2113.9165.6-57.7179.2000108.1R53 V56 F79 I92 V141 K142 V143 D144R53-I90 HydrophobicContact CB-CD1 3.84Å; R53-I90 HydrophobicContact CG-CD1 4.07Å; R53-I90 HydrophobicContact CG-CG1 4.45Å; R53-I90 WeakPolarHBondContact O-CD1 3.47Å; V56-I90 HydrophobicContact CB-CD1 4.1Å; V56-I90 HydrophobicContact CG1-CD1 4.11Å; F79-I90 HydrophobicContact CD1-CG2 3.93Å; F79-I90 HydrophobicContact CG-CG2 4.46Å; I90-I92 HydrophobicContact CG2-CD1 4.29Å; I90-I92 HydrophobicContact CG2-CG1 3.91Å; I90-V141 HydrophobicContact CD1-CG1 3.66Å; I90-V141 HydrophobicContact CG1-CG1 3.77Å; I90-K142 PolarHBondContact N-O 3.36Å; I90-V143 HydrophobicContact CB-CG1 4.32Å; I90-V143 HydrophobicContact CB-CG2 4.3Å; I90-V143 WeakPolarHBondContact O-CA 3.24Å; I90-V143 WeakPolarHBondContact O-CG1 3.22Å; I90-D144 PolarHBondContact O-N 3.34Å
91D95.4Very high92Very high35 Ų3542 Ų4219%0.18722%0.217CC..EExtended strand (participates in β ladder)trans-84.8117.8175.8-47.8-71.8000110.1C75 F76 S78C75-D91 WeakPolarHBondContact CA-O 3.28Å; F76-D91 HydrophobicContact CD1-CB 3.97Å; F76-D91 HydrophobicContact CD2-CB 3.73Å; F76-D91 HydrophobicContact CE1-CB 3.84Å; F76-D91 HydrophobicContact CE2-CB 3.6Å; F76-D91 HydrophobicContact CG-CB 3.94Å; F76-D91 HydrophobicContact CZ-CB 3.67Å; F76-D91 PolarHBondContact N-O 3.41Å; S78-D91 PolarHBondContact N-OD2 3.33Å
92I96.3Very high92.4Very high0 Ų043 Ų430%022%0.223CC..EExtended strand (participates in β ladder)trans-118.4133.7179.9-58.6177.5000109.9F57 V60 V73 E74 F76 I90 V143 D144 I145 S146F57-I92 HydrophobicContact CD2-CD1 3.84Å; F57-I92 HydrophobicContact CD2-CG1 4.15Å; F57-I92 HydrophobicContact CE2-CD1 4.47Å; V60-I92 HydrophobicContact CB-CD1 4.11Å; V60-I92 HydrophobicContact CG1-CD1 3.65Å; V73-I92 HydrophobicContact CG1-CG2 3.81Å; E74-I92 WeakPolarHBondContact O-CA 3.38Å; F76-I92 VanDerWaalsContact CE1-C 3.46Å; I90-I92 HydrophobicContact CG2-CD1 4.29Å; I90-I92 HydrophobicContact CG2-CG1 3.91Å; I92-V143 HydrophobicContact CD1-CG1 3.47Å; I92-V143 VanDerWaalsContact CD1-CG1 3.47Å; I92-V143 HydrophobicContact CG1-CG1 4.04Å; I92-D144 PolarHBondContact N-O 3.41Å; I92-I145 HydrophobicContact CB-CG1 4.32Å; I92-I145 HydrophobicContact CB-CG2 4.41Å; I92-I145 HydrophobicContact CG2-CG2 4.3Å; I92-I145 WeakPolarHBondContact O-CA 3.35Å; I92-S146 PolarHBondContact O-N 3.3Å; I92-S146 PolarHBondContact O-OG 3.31Å
93V95.3Very high92.8Very high1 Ų142.9 Ų42.91%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-111135.117063.50000110.3E74 F76 M95 S146 M149 I153E74-V93 HydrophobicContact CB-CG1 4.2Å; E74-V93 PolarHBondContact N-O 3.26Å; E74-V93 PolarHBondContact O-N 2.94Å; F76-V93 HydrophobicContact CD1-CB 3.79Å; F76-V93 HydrophobicContact CD1-CG1 3.99Å; F76-V93 HydrophobicContact CE1-CB 3.88Å; V93-M95 HydrophobicContact CG2-CG 4.33Å; V93-M95 HydrophobicContact CG2-SD 3.83Å; V93-S146 WeakPolarHBondContact CA-O 3.28Å; V93-M149 HydrophobicContact CG2-CB 3.92Å; V93-I153 HydrophobicContact CG1-CD1 3.94Å; V93-I153 HydrophobicContact CG1-CG1 3.99Å
94V96.3Very high93.1Very high0 Ų048.2 Ų48.20%025%0.25CC..EExtended strand (participates in β ladder)trans-110.9119.9172.4-157.90000108.1I64 A71 I72 V73 W98 I145 S146 F147 N148I64-V94 HydrophobicContact CD1-CG2 3.96Å; I64-V94 HydrophobicContact CG2-CG1 3.66Å; I64-V94 HydrophobicContact CG2-CG2 4.43Å; A71-V94 HydrophobicContact CB-CG1 4.06Å; I72-V94 WeakPolarHBondContact O-CA 3.49Å; V73-V94 HydrophobicContact CG2-CG1 4.26Å; V94-W98 HydrophobicContact CB-CH2 4.1Å; V94-W98 HydrophobicContact CG1-CH2 3.64Å; V94-W98 HydrophobicContact CG1-CZ2 4.11Å; V94-W98 WeakPolarHBondContact O-CZ3 3.28Å; V94-I145 HydrophobicContact CG2-CG2 3.55Å; V94-S146 PolarHBondContact N-O 3.42Å; V94-F147 HydrophobicContact CB-CD1 3.94Å; V94-F147 HydrophobicContact CB-CE1 3.98Å; V94-F147 HydrophobicContact CB-CG 4.46Å; V94-F147 HydrophobicContact CG1-CD1 4.47Å; V94-F147 HydrophobicContact CG1-CE1 4.21Å; V94-F147 HydrophobicContact CG2-CE1 4.31Å; V94-F147 HydrophobicContact CG2-CZ 4.38Å; V94-F147 CarbonylContact O-C 3.4Å; V94-F147 WeakPolarHBondContact O-CA 3.5Å; V94-N148 PolarHBondContact O-N 3.26Å
95M94.3Very high93.3Very high38 Ų3851.1 Ų51.119%0.18727%0.271CS..EExtended strand (participates in β ladder)trans-107.6137.3177.8-58.3-66-57.400110.2A71 I72 V93 N148 E150A71-M95 WeakPolarHBondContact CA-O 3.49Å; I72-M95 HydrophobicContact CB-CB 4.19Å; I72-M95 PolarHBondContact N-O 3.12Å; I72-M95 PolarHBondContact O-N 2.93Å; V93-M95 HydrophobicContact CG2-CG 4.33Å; V93-M95 HydrophobicContact CG2-SD 3.83Å; M95-N148 WeakPolarHBondContact CA-OD1 3.35Å; M95-N148 VanDerWaalsContact SD-CA 3.58Å; M95-E150 HydrophobicContact CE-CB 3.81Å; M95-E150 HydrophobicContact CE-CG 4.25Å; M95-E150 HydrophobicContact SD-CB 4.23Å
96G92.9Very high93.5Very high19 Ų1951 Ų5120%0.19627%0.27CS..  trans170.2172.6-176.100000113.8W98 N148G96-W98 VanDerWaalsContact CA-CH2 3.43Å; G96-W98 VanDerWaalsContact CA-CZ3 3.45Å; G96-W98 VanDerWaalsContact N-CH2 3.25Å; G96-W98 WeakPolarHBondContact O-CZ3 3.35Å; G96-W98 PolarHBondContact O-N 3.48Å; G96-N148 PolarHBondContact N-OD1 3.11Å; G96-N148 VanDerWaalsContact N-OD1 3.09Å; G96-N148 PolarHBondContact O-ND2 3.35Å; G96-N148 PolarHBondContact O-OD1 2.74Å
97N90.8Very high93.8Very high174 Ų17451 Ų5193%0.9327%0.27SS*.  trans-90.781.5-170.1-64.7-18.7000111
98W88.7Confident94.1Very high47 Ų4755.1 Ų55.118%0.17829%0.287CS..  trans-120.1135174.9-44.4-79.6000111.7W68 A71 V94 G96 R100 P102 F147 N148W68-W98 HydrophobicContact CD2-CZ2 4.41Å; W68-W98 HydrophobicContact CE3-CZ2 4.39Å; W68-W98 AromaticContact NE1-NE1 4Å; A71-W98 HydrophobicContact CB-CZ2 4.23Å; V94-W98 HydrophobicContact CB-CH2 4.1Å; V94-W98 HydrophobicContact CG1-CH2 3.64Å; V94-W98 HydrophobicContact CG1-CZ2 4.11Å; V94-W98 WeakPolarHBondContact O-CZ3 3.28Å; G96-W98 VanDerWaalsContact CA-CH2 3.43Å; G96-W98 VanDerWaalsContact CA-CZ3 3.45Å; G96-W98 VanDerWaalsContact N-CH2 3.25Å; G96-W98 WeakPolarHBondContact O-CZ3 3.35Å; G96-W98 PolarHBondContact O-N 3.48Å; W98-R100 WeakPolarHBondContact CB-O 3.4Å; W98-R100 PolarHBondContact O-N 2.93Å; W98-P102 HydrophobicContact CD2-CG 4.37Å; W98-P102 HydrophobicContact CG-CG 4.15Å; W98-F147 HydrophobicContact CD2-CD1 4.27Å; W98-F147 AromaticContact CE3-CD1 3.82Å; W98-F147 HydrophobicContact CE3-CD1 3.82Å; W98-F147 AromaticContact CH2-CD1 3.73Å; W98-F147 HydrophobicContact CH2-CD1 3.73Å; W98-F147 HydrophobicContact CH2-CE1 4.08Å; W98-F147 HydrophobicContact CZ2-CD1 4.16Å; W98-F147 HydrophobicContact CZ2-CE1 4.12Å; W98-F147 HydrophobicContact CZ3-CB 4.47Å; W98-F147 AromaticContact CZ3-CD1 3.54Å; W98-F147 HydrophobicContact CZ3-CD1 3.54Å; W98-F147 HydrophobicContact CZ3-CE1 4.3Å; W98-F147 HydrophobicContact CZ3-CG 4.49Å; W98-N148 WeakPolarHBondContact CZ3-OD1 3.39Å
99N86.4Confident94.3Very high175 Ų17554.6 Ų54.694%0.93628%0.282SS*.SBendtrans-65.9-28.1171.7-66-17000112.3
100R88.5Confident94.4Very high211 Ų21152.9 Ų52.980%0.79627%0.273SS*.SBendtrans-147.3144.4172.7-66.7-174177.5174.4-1.7109.1W98 P102W98-R100 WeakPolarHBondContact CB-O 3.4Å; W98-R100 PolarHBondContact O-N 2.93Å; R100-P102 WeakPolarHBondContact O-CD 3.37Å
101P91.6Very high94.5Very high58 Ų5855.5 Ų55.538%0.37729%0.287SS..  trans-54.3122176-29.537.6000112.9L103 F147P101-L103 HydrophobicContact CB-CD2 3.74Å; P101-L103 HydrophobicContact CB-CG 4.08Å; P101-L103 PolarHBondContact O-N 2.88Å; P101-F147 HydrophobicContact CB-CB 3.88Å; P101-F147 HydrophobicContact CB-CD2 4.13Å; P101-F147 HydrophobicContact CB-CG 3.97Å; P101-F147 HydrophobicContact CG-CB 4.09Å
102P94.7Very high94.6Very high25 Ų2560.9 Ų60.916%0.16231%0.308CS..  trans-82.357.7-177.834.8-39000112.5W68 W98 R100 D104 S105 L106 F147W68-P102 HydrophobicContact CH2-CB 3.93Å; W68-P102 HydrophobicContact CH2-CG 3.43Å; W68-P102 VanDerWaalsContact CH2-CG 3.43Å; W68-P102 HydrophobicContact CZ2-CB 3.59Å; W68-P102 HydrophobicContact CZ2-CG 3.3Å; W68-P102 HydrophobicContact CZ3-CG 4.18Å; W98-P102 HydrophobicContact CD2-CG 4.37Å; W98-P102 HydrophobicContact CG-CG 4.15Å; R100-P102 WeakPolarHBondContact O-CD 3.37Å; P102-D104 PolarHBondContact O-N 3.14Å; P102-S105 PolarHBondContact O-N 3.25Å; P102-L106 PolarHBondContact O-N 3Å; P102-F147 HydrophobicContact CG-CD1 4.47Å; P102-F147 HydrophobicContact CG-CE1 3.8Å; P102-F147 HydrophobicContact CG-CZ 4.22Å
103L96Very high94.6Very high11 Ų1162.9 Ų62.96%0.05832%0.322CS..Hα-helixtrans-58.8-45.5-171.7-51.6178.6000112.9P101 S105 L106 A107 V123 D125 P130 V132 F147P101-L103 HydrophobicContact CB-CD2 3.74Å; P101-L103 HydrophobicContact CB-CG 4.08Å; P101-L103 PolarHBondContact O-N 2.88Å; L103-S105 PolarHBondContact O-N 2.85Å; L103-L106 WeakPolarHBondContact O-CB 3.44Å; L103-L106 PolarHBondContact O-N 2.93Å; L103-A107 WeakPolarHBondContact O-CB 3.27Å; L103-A107 PolarHBondContact O-N 3.39Å; L103-V123 HydrophobicContact CB-CG1 3.65Å; L103-V123 HydrophobicContact CD1-CG1 3.84Å; L103-V123 HydrophobicContact CG-CG1 4.41Å; L103-D125 HydrophobicContact CD1-CB 4.22Å; L103-P130 HydrophobicContact CD1-CB 3.77Å; L103-V132 HydrophobicContact CB-CG2 3.91Å; L103-V132 HydrophobicContact CD2-CG2 4.03Å; L103-F147 HydrophobicContact CD2-CD2 3.6Å; L103-F147 HydrophobicContact CD2-CE2 3.64Å
104D96Very high94.6Very high113 Ų11364.3 Ų64.360%0.60434%0.336SS*.Hα-helixtrans-66.4-38.8-178.3-64.9-43.4000112.1P102 L106 A107 Q108P102-D104 PolarHBondContact O-N 3.14Å; D104-L106 VanDerWaalsContact C-N 3.33Å; D104-L106 PolarHBondContact O-N 2.66Å; D104-A107 PolarHBondContact O-N 3.03Å; D104-Q108 WeakPolarHBondContact O-CG 3.29Å; D104-Q108 PolarHBondContact O-N 3Å
105S96.3Very high94.6Very high64 Ų6464.4 Ų64.445%0.44834%0.337SS..Hα-helixtrans-62.1-42.7176.4-53.80000111.3L67 P102 L103 E109L67-S105 WeakPolarHBondContact CD1-O 3.42Å; P102-S105 PolarHBondContact O-N 3.25Å; L103-S105 PolarHBondContact O-N 2.85Å; S105-E109 PolarHBondContact O-N 2.91Å
106L97.6Very high94.8Very high0 Ų062.8 Ų62.80%033%0.329CS..Hα-helixtrans-62.2-48.5173.3174.959.3000111.3I64 W68 P102 L103 D104 Q108 E109 L110 V132 I145 F147I64-L106 HydrophobicContact CD1-CD1 4.44Å; I64-L106 HydrophobicContact CG1-CD1 3.55Å; W68-L106 HydrophobicContact CH2-CB 4.02Å; W68-L106 HydrophobicContact CZ3-CB 4.22Å; P102-L106 PolarHBondContact O-N 3Å; L103-L106 WeakPolarHBondContact O-CB 3.44Å; L103-L106 PolarHBondContact O-N 2.93Å; D104-L106 VanDerWaalsContact C-N 3.33Å; D104-L106 PolarHBondContact O-N 2.66Å; L106-Q108 VanDerWaalsContact C-N 3.3Å; L106-Q108 PolarHBondContact O-N 2.82Å; L106-E109 PolarHBondContact O-N 3.34Å; L106-L110 HydrophobicContact CD1-CD1 3.94Å; L106-L110 HydrophobicContact CD1-CD2 4.34Å; L106-L110 HydrophobicContact CD1-CG 3.9Å; L106-L110 HydrophobicContact CG-CD1 3.87Å; L106-L110 HydrophobicContact CG-CG 4.29Å; L106-L110 VanDerWaalsContact O-CG 3.31Å; L106-L110 WeakPolarHBondContact O-CG 3.39Å; L106-L110 PolarHBondContact O-N 3.32Å; L106-V132 HydrophobicContact CD2-CB 4.32Å; L106-V132 HydrophobicContact CD2-CG2 4.09Å; L106-I145 HydrophobicContact CD2-CB 4.17Å; L106-I145 HydrophobicContact CD2-CD1 3.96Å; L106-I145 HydrophobicContact CD2-CG2 3.73Å; L106-F147 HydrophobicContact CB-CZ 4.28Å; L106-F147 HydrophobicContact CD2-CE2 3.77Å; L106-F147 HydrophobicContact CD2-CZ 3.7Å
107A97.5Very high94.9Very high4 Ų464.6 Ų64.63%0.03333%0.334CS..Hα-helixtrans-56.1-43.5179.700000112.2L103 D104 L110 L111 L121 V123L103-A107 WeakPolarHBondContact O-CB 3.27Å; L103-A107 PolarHBondContact O-N 3.39Å; D104-A107 PolarHBondContact O-N 3.03Å; A107-L110 PolarHBondContact O-N 2.87Å; A107-L111 WeakPolarHBondContact O-CG 3.34Å; A107-L111 PolarHBondContact O-N 3.07Å; A107-L121 HydrophobicContact CB-CD2 3.95Å; A107-L121 HydrophobicContact CB-CG 4.47Å; A107-L121 WeakPolarHBondContact O-CD2 3.45Å; A107-V123 HydrophobicContact CB-CG2 3.68Å
108Q97.3Very high95.1Very high125 Ų12560.9 Ų60.958%0.58432%0.322SS*.Hα-helixtrans-67.4-40.1177.7-66.1-56.7-39.300113.2D104 L106 L111 K112D104-Q108 WeakPolarHBondContact O-CG 3.29Å; D104-Q108 PolarHBondContact O-N 3Å; L106-Q108 VanDerWaalsContact C-N 3.3Å; L106-Q108 PolarHBondContact O-N 2.82Å; Q108-L111 PolarHBondContact O-N 3.47Å; Q108-K112 VanDerWaalsContact O-CB 3.27Å; Q108-K112 WeakPolarHBondContact O-CB 3.48Å; Q108-K112 PolarHBondContact O-N 3.48Å
109E97.8Very high95.4Very high11 Ų1163.5 Ų63.55%0.05135%0.348CS..Hα-helixtrans-71.3-33.8177.6-164.666.4-149.400112.1K66 L67 S105 L106 L111 K112 C113K66-E109 WeakPolarHBondContact CD-OE1 3.43Å; K66-E109 WeakPolarHBondContact CE-OE1 3.42Å; K66-E109 IonicContact NZ-OE1 3.74Å; K66-E109 PolarHBondContact NZ-OE1 3.38Å; L67-E109 HydrophobicContact CD1-CB 3.7Å; L67-E109 HydrophobicContact CD1-CG 4.33Å; L67-E109 HydrophobicContact CD2-CB 3.95Å; L67-E109 HydrophobicContact CD2-CG 4.05Å; L67-E109 HydrophobicContact CG-CB 3.87Å; L67-E109 HydrophobicContact CG-CG 3.96Å; S105-E109 PolarHBondContact O-N 2.91Å; L106-E109 PolarHBondContact O-N 3.34Å; E109-L111 VanDerWaalsContact C-N 3.35Å; E109-L111 PolarHBondContact O-N 2.86Å; E109-K112 PolarHBondContact O-N 2.98Å; E109-K112 IonicContact OE1-NZ 2.71Å; E109-K112 PolarHBondContact OE1-NZ 2.86Å; E109-K112 WeakPolarHBondContact OE2-CD 3.27Å; E109-K112 WeakPolarHBondContact OE2-CE 3.45Å; E109-K112 IonicContact OE2-NZ 2.75Å; E109-K112 PolarHBondContact OE2-NZ 2.79Å; E109-C113 VanDerWaalsContact O-CB 3.31Å; E109-C113 WeakPolarHBondContact O-CB 3.25Å; E109-C113 PolarHBondContact O-N 3.05Å; E109-C113 PolarHBondContact O-SG 2.82Å
110L98.1Very high95.9Very high0 Ų056.9 Ų56.90%032%0.315CS..Hα-helixtrans-61.4-41.4173.6-69.7171.5000112.1V60 A63 L106 A107 G114 I115 V116 V132 L134 I145V60-L110 HydrophobicContact CG1-CD2 4.37Å; V60-L110 HydrophobicContact CG2-CD2 4.39Å; A63-L110 HydrophobicContact CB-CD2 4.14Å; L106-L110 HydrophobicContact CD1-CD1 3.94Å; L106-L110 HydrophobicContact CD1-CD2 4.34Å; L106-L110 HydrophobicContact CD1-CG 3.9Å; L106-L110 HydrophobicContact CG-CD1 3.87Å; L106-L110 HydrophobicContact CG-CG 4.29Å; L106-L110 VanDerWaalsContact O-CG 3.31Å; L106-L110 WeakPolarHBondContact O-CG 3.39Å; L106-L110 PolarHBondContact O-N 3.32Å; A107-L110 PolarHBondContact O-N 2.87Å; L110-G114 PolarHBondContact O-N 3.3Å; L110-I115 HydrophobicContact CD2-CD1 4.01Å; L110-I115 HydrophobicContact CD2-CG2 4.31Å; L110-I115 PolarHBondContact O-N 2.84Å; L110-I115 VanDerWaalsContact O-N 3.14Å; L110-V116 HydrophobicContact CB-CG1 3.92Å; L110-V132 HydrophobicContact CD1-CG1 4.26Å; L110-L134 HydrophobicContact CD1-CD2 4.16Å; L110-I145 HydrophobicContact CD1-CD1 3.93Å
111L97.2Very high96.3Very high54 Ų5448 Ų4828%0.28328%0.283SS..Hα-helixtrans-64.2-48.9172.6-70.6169.2000111.5A107 Q108 E109 C113 G114 V116 L121A107-L111 WeakPolarHBondContact O-CG 3.34Å; A107-L111 PolarHBondContact O-N 3.07Å; Q108-L111 PolarHBondContact O-N 3.47Å; E109-L111 VanDerWaalsContact C-N 3.35Å; E109-L111 PolarHBondContact O-N 2.86Å; L111-C113 VanDerWaalsContact C-N 3.3Å; L111-C113 PolarHBondContact O-N 2.9Å; L111-G114 WeakPolarHBondContact O-CA 3.47Å; L111-G114 PolarHBondContact O-N 3.07Å; L111-V116 HydrophobicContact CD2-CG1 4.11Å; L111-V116 HydrophobicContact CG-CG1 4.49Å; L111-L121 HydrophobicContact CD1-CD2 3.84Å; L111-L121 HydrophobicContact CD2-CD2 3.9Å; L111-L121 HydrophobicContact CG-CD2 3.59Å
112K96.9Very high96.5Very high149 Ų14949.6 Ų49.665%0.64829%0.288SS*.Hα-helixtrans-63.5-31.7-179176.5177.5155.7-150.90113.4Q108 E109 G114Q108-K112 VanDerWaalsContact O-CB 3.27Å; Q108-K112 WeakPolarHBondContact O-CB 3.48Å; Q108-K112 PolarHBondContact O-N 3.48Å; E109-K112 PolarHBondContact O-N 2.98Å; E109-K112 IonicContact OE1-NZ 2.71Å; E109-K112 PolarHBondContact OE1-NZ 2.86Å; E109-K112 WeakPolarHBondContact OE2-CD 3.27Å; E109-K112 WeakPolarHBondContact OE2-CE 3.45Å; E109-K112 IonicContact OE2-NZ 2.75Å; E109-K112 PolarHBondContact OE2-NZ 2.79Å; K112-G114 VanDerWaalsContact C-N 3.27Å
113C96.1Very high96.5Very high42 Ų4250.5 Ų50.528%0.28429%0.294SS..THydrogen-bonded Turntrans-80.3-1.8171.8-74.50000113.6A63 E109 L111 I115A63-C113 HydrophobicContact CB-CB 4.38Å; E109-C113 VanDerWaalsContact O-CB 3.31Å; E109-C113 WeakPolarHBondContact O-CB 3.25Å; E109-C113 PolarHBondContact O-N 3.05Å; E109-C113 PolarHBondContact O-SG 2.82Å; L111-C113 VanDerWaalsContact C-N 3.3Å; L111-C113 PolarHBondContact O-N 2.9Å; C113-I115 VanDerWaalsContact C-N 3.26Å; C113-I115 HydrophobicContact CB-CD1 3.77Å; C113-I115 HydrophobicContact CB-CG1 3.91Å; C113-I115 PolarHBondContact O-N 2.88Å
114G96.1Very high96.4Very high30 Ų3053.4 Ų53.431%0.30931%0.309SS..THydrogen-bonded Turntrans70.716177.500000115.1L110 L111 K112 V116 R137L110-G114 PolarHBondContact O-N 3.3Å; L111-G114 WeakPolarHBondContact O-CA 3.47Å; L111-G114 PolarHBondContact O-N 3.07Å; K112-G114 VanDerWaalsContact C-N 3.27Å; G114-V116 VanDerWaalsContact C-N 3.35Å; G114-R137 WeakPolarHBondContact O-CD 3.45Å
115I96.5Very high96.2Very high2 Ų252.4 Ų52.41%0.0130%0.303CS..SBendtrans-74.5-27.7-174.3-65.5173000111.4Q59 V60 A63 L110 C113 L134 H136 R137Q59-I115 HydrophobicContact CB-CD1 4.32Å; Q59-I115 WeakPolarHBondContact O-CD1 3.31Å; V60-I115 HydrophobicContact CG2-CG2 4Å; A63-I115 HydrophobicContact CB-CD1 3.64Å; L110-I115 HydrophobicContact CD2-CD1 4.01Å; L110-I115 HydrophobicContact CD2-CG2 4.31Å; L110-I115 PolarHBondContact O-N 2.84Å; L110-I115 VanDerWaalsContact O-N 3.14Å; C113-I115 VanDerWaalsContact C-N 3.26Å; C113-I115 HydrophobicContact CB-CD1 3.77Å; C113-I115 HydrophobicContact CB-CG1 3.91Å; C113-I115 PolarHBondContact O-N 2.88Å; I115-L134 HydrophobicContact CG2-CD1 4Å; I115-H136 PolarHBondContact O-CD2 3.18Å; I115-R137 WeakPolarHBondContact O-CB 3.5Å; I115-R137 PolarHBondContact O-N 3.33Å
116V97.6Very high95.8Very high5 Ų558.1 Ų58.13%0.0332%0.32CS..EExtended strand (participates in β ladder)trans-142.1144.1-173.858.80000110.4L110 L111 G114 L121 L134L110-V116 HydrophobicContact CB-CG1 3.92Å; L111-V116 HydrophobicContact CD2-CG1 4.11Å; L111-V116 HydrophobicContact CG-CG1 4.49Å; G114-V116 VanDerWaalsContact C-N 3.35Å; V116-L121 HydrophobicContact CG1-CB 4.34Å; V116-L121 HydrophobicContact CG1-CD1 4.31Å; V116-L121 HydrophobicContact CG1-CD2 4.06Å; V116-L121 HydrophobicContact CG1-CG 4.49Å; V116-L121 HydrophobicContact CG2-CB 3.86Å; V116-L134 HydrophobicContact CB-CB 4.18Å; V116-L134 HydrophobicContact CB-CD1 4.01Å; V116-L134 HydrophobicContact CG1-CD1 4.45Å; V116-L134 HydrophobicContact CG2-CB 3.76Å; V116-L134 HydrophobicContact CG2-CD1 4.48Å
117D95.3Very high95Very high56 Ų5660.3 Ų60.330%0.29934%0.338SS..EExtended strand (participates in β ladder)trans-82.7142.6169.2-59-57.9000109.9S119 S120 R137D117-S119 PolarHBondContact O-N 2.81Å; D117-S120 PolarHBondContact O-N 3.16Å; D117-R137 VanDerWaalsContact OD1-CD 3.27Å; D117-R137 WeakPolarHBondContact OD1-CD 3.09Å; D117-R137 IonicContact OD1-CZ 2.75Å; D117-R137 IonicContact OD1-NE 3.2Å; D117-R137 PolarHBondContact OD1-NE 2.98Å
118S94.7Very high94.1Very high97 Ų9766.3 Ų66.368%0.67838%0.38SS*.EExtended strand (participates in β ladder)trans-56.8-28.8-17456.40000115.4S120S118-S120 PolarHBondContact O-N 2.88Å
119S95.3Very high93.5Very high102 Ų10262.9 Ų62.971%0.71337%0.367SS*.EExtended strand (participates in β ladder)trans-70.2-14.517558.10000114.3D117D117-S119 PolarHBondContact O-N 2.81Å
120S95.5Very high93.1Very high35 Ų3564.3 Ų64.325%0.24538%0.378CS..EExtended strand (participates in β ladder)trans-117.717.1-173.8-55.90000113D117 S118 L134 V135D117-S120 PolarHBondContact O-N 3.16Å; S118-S120 PolarHBondContact O-N 2.88Å; S120-L134 CarbonylContact O-C 3.54Å; S120-L134 VanDerWaalsContact O-CA 3.28Å; S120-L134 WeakPolarHBondContact O-CA 3.45Å; S120-V135 PolarHBondContact O-N 2.82Å; S120-V135 VanDerWaalsContact O-N 3.07Å
121L97.4Very high92.9Very high24 Ų2465.5 Ų65.513%0.12638%0.384CS..EExtended strand (participates in β ladder)trans-118.3122.6178.218061.2000109.7A107 L111 V116 V132 L134A107-L121 HydrophobicContact CB-CD2 3.95Å; A107-L121 HydrophobicContact CB-CG 4.47Å; A107-L121 WeakPolarHBondContact O-CD2 3.45Å; L111-L121 HydrophobicContact CD1-CD2 3.84Å; L111-L121 HydrophobicContact CD2-CD2 3.9Å; L111-L121 HydrophobicContact CG-CD2 3.59Å; V116-L121 HydrophobicContact CG1-CB 4.34Å; V116-L121 HydrophobicContact CG1-CD1 4.31Å; V116-L121 HydrophobicContact CG1-CD2 4.06Å; V116-L121 HydrophobicContact CG1-CG 4.49Å; V116-L121 HydrophobicContact CG2-CB 3.86Å; L121-V132 HydrophobicContact CD1-CG1 3.63Å; L121-L134 HydrophobicContact CD1-CB 3.99Å
122N96.1Very high92.9Very high92 Ų9262.9 Ų62.949%0.49237%0.37SS..EExtended strand (participates in β ladder)trans-128.3122.7-179.5-64.2-80.2000110.3K133N122-K133 HydrophobicContact CB-CB 4.44Å; N122-K133 PolarHBondContact N-O 2.85Å; N122-K133 PolarHBondContact O-N 3.05Å
123V95.9Very high93Very high45 Ų4559 Ų5927%0.27335%0.353SS..EExtended strand (participates in β ladder)trans-94.6118.7169.6177.60000108.1L103 A107 V132L103-V123 HydrophobicContact CB-CG1 3.65Å; L103-V123 HydrophobicContact CD1-CG1 3.84Å; L103-V123 HydrophobicContact CG-CG1 4.41Å; A107-V123 HydrophobicContact CB-CG2 3.68Å; V123-V132 HydrophobicContact CG2-CG2 4.39Å
124L93Very high93.1Very high71 Ų7157.2 Ų57.237%0.37234%0.341SS..EExtended strand (participates in β ladder)trans-109.784.6178.1-58.9-180000108.6A127 P130 I131 K133L124-A127 HydrophobicContact CB-CB 4.5Å; L124-P130 VanDerWaalsContact O-CA 3.29Å; L124-P130 WeakPolarHBondContact O-CA 3.46Å; L124-I131 HydrophobicContact CB-CG2 3.78Å; L124-I131 HydrophobicContact CD1-CG2 3.95Å; L124-I131 HydrophobicContact CG-CG2 4.31Å; L124-I131 PolarHBondContact N-O 2.85Å; L124-I131 PolarHBondContact O-N 3.07Å; L124-K133 HydrophobicContact CD1-CD 3.78Å; L124-K133 HydrophobicContact CD1-CG 4.21Å
125D91.2Very high93.2Very high92 Ų9257.9 Ų57.949%0.49234%0.339SS..  trans-76.5-30.5-176.666.6-30.2000113.7L103L103-D125 HydrophobicContact CD1-CB 4.22Å
126K88.3Confident93.2Very high184 Ų18457.8 Ų57.880%0.834%0.339SS*.SBendtrans-95.72.1-173.7-69.9155.1-166.7169.50115
127A81.5Confident93.2Very high46 Ų4663.8 Ų63.838%0.3836%0.361SS..SBendtrans-71.8159.9174.800000111L124 V129L124-A127 HydrophobicContact CB-CB 4.5Å; A127-V129 WeakPolarHBondContact CB-O 3.41Å; A127-V129 PolarHBondContact O-N 3.27Å
128S78.8Confident93.1Very high131 Ų13164.4 Ų64.492%0.91636%0.362SS*.SBendtrans-59.5-27.1175.551.80000113.3
129V83.9Confident93.1Very high52 Ų5260 Ų6032%0.31533%0.33SS..SBendtrans-122.6110164.4179.30000106.9A127 I131 M149A127-V129 WeakPolarHBondContact CB-O 3.41Å; A127-V129 PolarHBondContact O-N 3.27Å; V129-I131 PolarHBondContact O-N 3.25Å; V129-M149 HydrophobicContact CG1-CE 4.02Å; V129-M149 HydrophobicContact CG1-CG 4.03Å; V129-M149 HydrophobicContact CG1-SD 3.85Å; V129-M149 HydrophobicContact CG2-CE 3.76Å; V129-M149 HydrophobicContact CG2-SD 4.23Å
130P90.2Very high93.1Very high41 Ų4160 Ų6027%0.26632%0.318SS..  trans-64.7133178.1-21.232.5000111.4L103 L124L103-P130 HydrophobicContact CD1-CB 3.77Å; L124-P130 VanDerWaalsContact O-CA 3.29Å; L124-P130 WeakPolarHBondContact O-CA 3.46Å
131I94.3Very high93.1Very high25 Ų2558.5 Ų58.513%0.12831%0.307CS..EExtended strand (participates in β ladder)trans-146.4141.5-165.9-170.1163.1000112.4L124 V129 K133 D144 I145L124-I131 HydrophobicContact CB-CG2 3.78Å; L124-I131 HydrophobicContact CD1-CG2 3.95Å; L124-I131 HydrophobicContact CG-CG2 4.31Å; L124-I131 PolarHBondContact N-O 2.85Å; L124-I131 PolarHBondContact O-N 3.07Å; V129-I131 PolarHBondContact O-N 3.25Å; I131-K133 HydrophobicContact CG1-CG 4.36Å; I131-K133 HydrophobicContact CG2-CG 4.31Å; I131-D144 HydrophobicContact CD1-CB 3.82Å; I131-D144 VanDerWaalsContact CD1-OD2 3.29Å; I131-D144 WeakPolarHBondContact CD1-OD2 3.46Å; I131-I145 WeakPolarHBondContact CA-O 3.27Å; I131-I145 WeakPolarHBondContact CG1-O 3.39Å
132V97.2Very high93.1Very high0 Ų061.5 Ų61.50%032%0.319CS..EExtended strand (participates in β ladder)trans-100.8112.3168.4-1770000108.2L103 L106 L110 L121 V123 I145L103-V132 HydrophobicContact CB-CG2 3.91Å; L103-V132 HydrophobicContact CD2-CG2 4.03Å; L106-V132 HydrophobicContact CD2-CB 4.32Å; L106-V132 HydrophobicContact CD2-CG2 4.09Å; L110-V132 HydrophobicContact CD1-CG1 4.26Å; L121-V132 HydrophobicContact CD1-CG1 3.63Å; V123-V132 HydrophobicContact CG2-CG2 4.39Å; V132-I145 HydrophobicContact CB-CB 4.39Å; V132-I145 PolarHBondContact N-O 3.1Å; V132-I145 PolarHBondContact O-N 3.19Å
133K97.3Very high93.2Very high67 Ų6757.1 Ų57.129%0.29130%0.295SS..EExtended strand (participates in β ladder)trans-98.8132.9176.1-58.1-168.6157.4-89.50110N122 L124 I131 V143 D144N122-K133 HydrophobicContact CB-CB 4.44Å; N122-K133 PolarHBondContact N-O 2.85Å; N122-K133 PolarHBondContact O-N 3.05Å; L124-K133 HydrophobicContact CD1-CD 3.78Å; L124-K133 HydrophobicContact CD1-CG 4.21Å; I131-K133 HydrophobicContact CG1-CG 4.36Å; I131-K133 HydrophobicContact CG2-CG 4.31Å; K133-V143 WeakPolarHBondContact CA-O 3.27Å; K133-D144 VanDerWaalsContact CG-OD1 3.28Å; K133-D144 WeakPolarHBondContact CG-OD1 3.26Å; K133-D144 IonicContact NZ-OD1 3.65Å; K133-D144 PolarHBondContact NZ-OD1 3.45Å; K133-D144 IonicContact NZ-OD2 3.69Å; K133-D144 PolarHBondContact NZ-OD2 2.91Å
134L98.2Very high93.2Very high4 Ų455.9 Ų55.92%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-137.7157.917464.8150.2000113.2V60 L110 I115 V116 S120 L121 K142 V143 I145V60-L134 HydrophobicContact CG2-CD1 4.49Å; L110-L134 HydrophobicContact CD1-CD2 4.16Å; I115-L134 HydrophobicContact CG2-CD1 4Å; V116-L134 HydrophobicContact CB-CB 4.18Å; V116-L134 HydrophobicContact CB-CD1 4.01Å; V116-L134 HydrophobicContact CG1-CD1 4.45Å; V116-L134 HydrophobicContact CG2-CB 3.76Å; V116-L134 HydrophobicContact CG2-CD1 4.48Å; S120-L134 CarbonylContact O-C 3.54Å; S120-L134 VanDerWaalsContact O-CA 3.28Å; S120-L134 WeakPolarHBondContact O-CA 3.45Å; L121-L134 HydrophobicContact CD1-CB 3.99Å; L134-K142 CarbonylContact O-C 3.58Å; L134-K142 WeakPolarHBondContact O-CA 3.15Å; L134-V143 HydrophobicContact CD2-CB 3.79Å; L134-V143 HydrophobicContact CD2-CG1 4.12Å; L134-V143 HydrophobicContact CG-CB 3.89Å; L134-V143 HydrophobicContact CG-CG2 4.48Å; L134-V143 PolarHBondContact N-O 3.07Å; L134-V143 PolarHBondContact O-N 3.18Å; L134-I145 HydrophobicContact CD2-CD1 3.63Å; L134-I145 HydrophobicContact CD2-CG1 4.03Å
135V98Very high93.4Very high44 Ų4452.5 Ų52.527%0.26727%0.27SS..EExtended strand (participates in β ladder)trans-107.8119.7161.9-173.70000108.6S120 R137 K140 K142S120-V135 PolarHBondContact O-N 2.82Å; S120-V135 VanDerWaalsContact O-N 3.07Å; V135-R137 PolarHBondContact O-N 3.18Å; V135-K140 HydrophobicContact CG1-CB 4.31Å; V135-K140 HydrophobicContact CG1-CD 4.43Å; V135-K142 HydrophobicContact CG2-CG 4.15Å
136H97.8Very high93.6Very high1 Ų148.3 Ų48.31%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-61.2126.9179.8179.8-116.9000111.3V56 Q59 I115 E138 T139 K140 V141V56-H136 HydrophobicContact CG1-CB 3.9Å; V56-H136 HydrophobicContact CG2-CB 4.19Å; V56-H136 WeakPolarHBondContact CG2-ND1 3.3Å; Q59-H136 PolarHBondContact OE1-NE2 2.96Å; I115-H136 PolarHBondContact O-CD2 3.18Å; H136-E138 PolarHBondContact O-N 3.3Å; H136-T139 WeakPolarHBondContact ND1-CG2 3.45Å; H136-T139 PolarHBondContact ND1-N 3.35Å; H136-T139 PolarHBondContact ND1-OG1 3.09Å; H136-T139 PolarHBondContact O-N 3.06Å; H136-K140 VanDerWaalsContact O-CA 3.31Å; H136-K140 WeakPolarHBondContact O-CA 3.42Å; H136-K140 PolarHBondContact O-N 2.85Å; H136-V141 WeakPolarHBondContact CB-O 3.38Å; H136-V141 PolarHBondContact N-O 2.97Å
137R96.3Very high93.9Very high131 Ų13140.2 Ų40.249%0.49421%0.212SC..THydrogen-bonded Turntrans-56.6-49.7-169.7-177.8171.7-169.7-130.2-5.3113.4G114 I115 D117 V135 K140G114-R137 WeakPolarHBondContact O-CD 3.45Å; I115-R137 WeakPolarHBondContact O-CB 3.5Å; I115-R137 PolarHBondContact O-N 3.33Å; D117-R137 VanDerWaalsContact OD1-CD 3.27Å; D117-R137 WeakPolarHBondContact OD1-CD 3.09Å; D117-R137 IonicContact OD1-CZ 2.75Å; D117-R137 IonicContact OD1-NE 3.2Å; D117-R137 PolarHBondContact OD1-NE 2.98Å; V135-R137 PolarHBondContact O-N 3.18Å; R137-K140 WeakPolarHBondContact O-CE 3.31Å; R137-K140 PolarHBondContact O-NZ 3.47Å
138E93.8Very high94.3Very high69 Ų6941.4 Ų41.432%0.32221%0.213SC..THydrogen-bonded Turntrans-77.9-35.4-174.7-59.8176.3-162.500113.1H136 W338 R379H136-E138 PolarHBondContact O-N 3.3Å; E138-W338 WeakPolarHBondContact O-CH2 3.09Å; E138-R379 IonicContact OE1-CZ 3.2Å; E138-R379 IonicContact OE1-NH2 3.63Å; E138-R379 PolarHBondContact OE1-NH2 2.84Å
139T94.3Very high94.7Very high3 Ų338.1 Ų38.12%0.01818%0.184CC..THydrogen-bonded Turntrans-113.5-6.9-166.269.10000114.2V52 V56 H136 V141 Y335 W338 F343V52-T139 HydrophobicContact CG1-CG2 3.44Å; V52-T139 VanDerWaalsContact CG1-CG2 3.44Å; V56-T139 HydrophobicContact CG2-CG2 4.07Å; V56-T139 VanDerWaalsContact CG2-OG1 3.31Å; V56-T139 WeakPolarHBondContact CG2-OG1 3.18Å; H136-T139 WeakPolarHBondContact ND1-CG2 3.45Å; H136-T139 PolarHBondContact ND1-N 3.35Å; H136-T139 PolarHBondContact ND1-OG1 3.09Å; H136-T139 PolarHBondContact O-N 3.06Å; T139-V141 PolarHBondContact O-N 3.14Å; T139-V141 WeakPolarHBondContact OG1-CG2 3.37Å; T139-V141 PolarHBondContact OG1-N 3.01Å; T139-Y335 PolarHBondContact O-OH 2.95Å; T139-W338 WeakPolarHBondContact O-CZ3 3.22Å; T139-F343 HydrophobicContact CG2-CE1 3.83Å; T139-F343 HydrophobicContact CG2-CE2 4.45Å; T139-F343 HydrophobicContact CG2-CZ 3.66Å
140K95.7Very high94.7Very high104 Ų10440.1 Ų40.145%0.45219%0.189SC..  trans56.516.4-174.8-48.7-50-176.6-165.50115.3V135 H136 R137 K142 Y335 W338V135-K140 HydrophobicContact CG1-CB 4.31Å; V135-K140 HydrophobicContact CG1-CD 4.43Å; H136-K140 VanDerWaalsContact O-CA 3.31Å; H136-K140 WeakPolarHBondContact O-CA 3.42Å; H136-K140 PolarHBondContact O-N 2.85Å; R137-K140 WeakPolarHBondContact O-CE 3.31Å; R137-K140 PolarHBondContact O-NZ 3.47Å; K140-K142 PolarHBondContact O-N 3.44Å; K140-Y335 HydrophobicContact CB-CE2 4.33Å; K140-W338 HydrophobicContact CG-CH2 4.18Å; K140-W338 HydrophobicContact CG-CZ3 4.46Å
141V96.2Very high94.6Very high3 Ų341.3 Ų41.32%0.01819%0.193CC..  trans-71126172.3174.40000109.6R53 V56 I90 H136 T139 V143 Y335R53-V141 HydrophobicContact CG-CG1 4.49Å; R53-V141 HydrophobicContact CG-CG2 4.45Å; V56-V141 HydrophobicContact CG2-CB 4.27Å; V56-V141 HydrophobicContact CG2-CG2 4.41Å; I90-V141 HydrophobicContact CD1-CG1 3.66Å; I90-V141 HydrophobicContact CG1-CG1 3.77Å; H136-V141 WeakPolarHBondContact CB-O 3.38Å; H136-V141 PolarHBondContact N-O 2.97Å; T139-V141 PolarHBondContact O-N 3.14Å; T139-V141 WeakPolarHBondContact OG1-CG2 3.37Å; T139-V141 PolarHBondContact OG1-N 3.01Å; V141-V143 HydrophobicContact CG1-CG2 4.43Å; V141-Y335 WeakPolarHBondContact CG2-OH 3.33Å
142K97.2Very high94.3Very high86 Ų8641.7 Ų41.737%0.37420%0.198SC..EExtended strand (participates in β ladder)trans-72.1139.5171.1-74.2171.8-77.2145.20110.5T87 D89 I90 L134 V135 K140T87-K142 PolarHBondContact O-NZ 3.01Å; D89-K142 CarbonylContact C-O 3.58Å; D89-K142 WeakPolarHBondContact CA-O 3.45Å; D89-K142 HydrophobicContact CB-CB 3.98Å; D89-K142 VanDerWaalsContact CG-CB 3.42Å; D89-K142 VanDerWaalsContact OD1-CB 3.28Å; D89-K142 WeakPolarHBondContact OD1-CB 3.49Å; D89-K142 WeakPolarHBondContact OD1-CD 3.41Å; D89-K142 WeakPolarHBondContact OD1-CE 3.37Å; D89-K142 IonicContact OD1-NZ 3.99Å; D89-K142 PolarHBondContact OD1-NZ 3.39Å; I90-K142 PolarHBondContact N-O 3.36Å; L134-K142 CarbonylContact O-C 3.58Å; L134-K142 WeakPolarHBondContact O-CA 3.15Å; V135-K142 HydrophobicContact CG2-CG 4.15Å; K140-K142 PolarHBondContact O-N 3.44Å
143V97.9Very high93.9Very high0 Ų044.5 Ų44.50%021%0.212CC..EExtended strand (participates in β ladder)trans-136.7135.3179.2-172.70000109.3V56 I90 I92 K133 L134 V141 I145V56-V143 HydrophobicContact CG1-CG2 3.58Å; I90-V143 HydrophobicContact CB-CG1 4.32Å; I90-V143 HydrophobicContact CB-CG2 4.3Å; I90-V143 WeakPolarHBondContact O-CA 3.24Å; I90-V143 WeakPolarHBondContact O-CG1 3.22Å; I92-V143 HydrophobicContact CD1-CG1 3.47Å; I92-V143 VanDerWaalsContact CD1-CG1 3.47Å; I92-V143 HydrophobicContact CG1-CG1 4.04Å; K133-V143 WeakPolarHBondContact CA-O 3.27Å; L134-V143 HydrophobicContact CD2-CB 3.79Å; L134-V143 HydrophobicContact CD2-CG1 4.12Å; L134-V143 HydrophobicContact CG-CB 3.89Å; L134-V143 HydrophobicContact CG-CG2 4.48Å; L134-V143 PolarHBondContact N-O 3.07Å; L134-V143 PolarHBondContact O-N 3.18Å; V141-V143 HydrophobicContact CG1-CG2 4.43Å; V143-I145 HydrophobicContact CG1-CG1 4.04Å
144D96.7Very high93.7Very high20 Ų2046 Ų4611%0.10722%0.219CC..EExtended strand (participates in β ladder)trans-122.6110.9-174-103.731.7000108.1I90 I92 I131 K133I90-D144 PolarHBondContact O-N 3.34Å; I92-D144 PolarHBondContact N-O 3.41Å; I131-D144 HydrophobicContact CD1-CB 3.82Å; I131-D144 VanDerWaalsContact CD1-OD2 3.29Å; I131-D144 WeakPolarHBondContact CD1-OD2 3.46Å; K133-D144 VanDerWaalsContact CG-OD1 3.28Å; K133-D144 WeakPolarHBondContact CG-OD1 3.26Å; K133-D144 IonicContact NZ-OD1 3.65Å; K133-D144 PolarHBondContact NZ-OD1 3.45Å; K133-D144 IonicContact NZ-OD2 3.69Å; K133-D144 PolarHBondContact NZ-OD2 2.91Å
145I97.3Very high93.4Very high0 Ų046 Ų460%022%0.22CC..EExtended strand (participates in β ladder)trans-111.5115.4-173.1-47171.9000110.9V60 I64 I92 V94 L106 L110 I131 V132 L134 V143V60-I145 HydrophobicContact CG1-CD1 3.59Å; V60-I145 HydrophobicContact CG1-CG1 4.39Å; I64-I145 HydrophobicContact CD1-CG2 4.46Å; I92-I145 HydrophobicContact CB-CG1 4.32Å; I92-I145 HydrophobicContact CB-CG2 4.41Å; I92-I145 HydrophobicContact CG2-CG2 4.3Å; I92-I145 WeakPolarHBondContact O-CA 3.35Å; V94-I145 HydrophobicContact CG2-CG2 3.55Å; L106-I145 HydrophobicContact CD2-CB 4.17Å; L106-I145 HydrophobicContact CD2-CD1 3.96Å; L106-I145 HydrophobicContact CD2-CG2 3.73Å; L110-I145 HydrophobicContact CD1-CD1 3.93Å; I131-I145 WeakPolarHBondContact CA-O 3.27Å; I131-I145 WeakPolarHBondContact CG1-O 3.39Å; V132-I145 HydrophobicContact CB-CB 4.39Å; V132-I145 PolarHBondContact N-O 3.1Å; V132-I145 PolarHBondContact O-N 3.19Å; L134-I145 HydrophobicContact CD2-CD1 3.63Å; L134-I145 HydrophobicContact CD2-CG1 4.03Å; V143-I145 HydrophobicContact CG1-CG1 4.04Å
146S95Very high93.1Very high4 Ų444.2 Ų44.23%0.02821%0.21CC..EExtended strand (participates in β ladder)trans-112.9159.4179.464.40000111.9I92 V93 V94I92-S146 PolarHBondContact O-N 3.3Å; I92-S146 PolarHBondContact O-OG 3.31Å; V93-S146 WeakPolarHBondContact CA-O 3.28Å; V94-S146 PolarHBondContact N-O 3.42Å
147F94.3Very high92.9Very high13 Ų1347.8 Ų47.86%0.05723%0.227CC..EExtended strand (participates in β ladder)trans-118.2138.1-177.7-73.8-101.5000111.5W68 V94 W98 P101 P102 L103 L106 M149W68-F147 HydrophobicContact CH2-CE1 4.44Å; W68-F147 HydrophobicContact CH2-CZ 4.37Å; W68-F147 HydrophobicContact CZ3-CE1 4.05Å; W68-F147 HydrophobicContact CZ3-CZ 4.1Å; V94-F147 HydrophobicContact CB-CD1 3.94Å; V94-F147 HydrophobicContact CB-CE1 3.98Å; V94-F147 HydrophobicContact CB-CG 4.46Å; V94-F147 HydrophobicContact CG1-CD1 4.47Å; V94-F147 HydrophobicContact CG1-CE1 4.21Å; V94-F147 HydrophobicContact CG2-CE1 4.31Å; V94-F147 HydrophobicContact CG2-CZ 4.38Å; V94-F147 CarbonylContact O-C 3.4Å; V94-F147 WeakPolarHBondContact O-CA 3.5Å; W98-F147 HydrophobicContact CD2-CD1 4.27Å; W98-F147 AromaticContact CE3-CD1 3.82Å; W98-F147 HydrophobicContact CE3-CD1 3.82Å; W98-F147 AromaticContact CH2-CD1 3.73Å; W98-F147 HydrophobicContact CH2-CD1 3.73Å; W98-F147 HydrophobicContact CH2-CE1 4.08Å; W98-F147 HydrophobicContact CZ2-CD1 4.16Å; W98-F147 HydrophobicContact CZ2-CE1 4.12Å; W98-F147 HydrophobicContact CZ3-CB 4.47Å; W98-F147 AromaticContact CZ3-CD1 3.54Å; W98-F147 HydrophobicContact CZ3-CD1 3.54Å; W98-F147 HydrophobicContact CZ3-CE1 4.3Å; W98-F147 HydrophobicContact CZ3-CG 4.49Å; P101-F147 HydrophobicContact CB-CB 3.88Å; P101-F147 HydrophobicContact CB-CD2 4.13Å; P101-F147 HydrophobicContact CB-CG 3.97Å; P101-F147 HydrophobicContact CG-CB 4.09Å; P102-F147 HydrophobicContact CG-CD1 4.47Å; P102-F147 HydrophobicContact CG-CE1 3.8Å; P102-F147 HydrophobicContact CG-CZ 4.22Å; L103-F147 HydrophobicContact CD2-CD2 3.6Å; L103-F147 HydrophobicContact CD2-CE2 3.64Å; L106-F147 HydrophobicContact CB-CZ 4.28Å; L106-F147 HydrophobicContact CD2-CE2 3.77Å; L106-F147 HydrophobicContact CD2-CZ 3.7Å; F147-M149 VanDerWaalsContact C-N 3.27Å; F147-M149 PolarHBondContact O-N 3.31Å
148N90.3Very high92.7Very high72 Ų7242.9 Ų42.939%0.38521%0.212SC..SBendtrans55.831.1175.1-71.1-15.7000115.9V94 M95 G96 W98 E150V94-N148 PolarHBondContact O-N 3.26Å; M95-N148 WeakPolarHBondContact CA-OD1 3.35Å; M95-N148 VanDerWaalsContact SD-CA 3.58Å; G96-N148 PolarHBondContact N-OD1 3.11Å; G96-N148 VanDerWaalsContact N-OD1 3.09Å; G96-N148 PolarHBondContact O-ND2 3.35Å; G96-N148 PolarHBondContact O-OD1 2.74Å; W98-N148 WeakPolarHBondContact CZ3-OD1 3.39Å; N148-E150 PolarHBondContact O-N 3.39Å
149M86.8Confident92.8Very high62 Ų6240 Ų4031%0.30520%0.199SC..  trans-94.755.7179.6-66.7-63.7-70.300113V93 V129 F147 N151 C152V93-M149 HydrophobicContact CG2-CB 3.92Å; V129-M149 HydrophobicContact CG1-CE 4.02Å; V129-M149 HydrophobicContact CG1-CG 4.03Å; V129-M149 HydrophobicContact CG1-SD 3.85Å; V129-M149 HydrophobicContact CG2-CE 3.76Å; V129-M149 HydrophobicContact CG2-SD 4.23Å; F147-M149 VanDerWaalsContact C-N 3.27Å; F147-M149 PolarHBondContact O-N 3.31Å; M149-N151 VanDerWaalsContact C-N 3.26Å; M149-N151 PolarHBondContact O-N 2.99Å; M149-N151 VanDerWaalsContact O-N 3.16Å; M149-C152 VanDerWaalsContact O-CB 3.3Å; M149-C152 WeakPolarHBondContact O-CB 3.39Å; M149-C152 PolarHBondContact O-N 2.99Å
150E84.7Confident92.7Very high93 Ų9340.7 Ų40.744%0.43520%0.202SC..THydrogen-bonded Turntrans-54.4-38-174-163.5-163.6136.800113.8M95 N148 C152 I153 K154M95-E150 HydrophobicContact CE-CB 3.81Å; M95-E150 HydrophobicContact CE-CG 4.25Å; M95-E150 HydrophobicContact SD-CB 4.23Å; N148-E150 PolarHBondContact O-N 3.39Å; E150-C152 PolarHBondContact O-N 3.18Å; E150-C152 VanDerWaalsContact O-N 3.11Å; E150-I153 WeakPolarHBondContact O-CB 3.4Å; E150-I153 PolarHBondContact O-N 2.79Å; E150-K154 WeakPolarHBondContact OE1-CE 3.45Å; E150-K154 IonicContact OE1-NZ 2.67Å; E150-K154 PolarHBondContact OE1-NZ 3.26Å
151N87.9Confident92.7Very high66 Ų6638.5 Ų38.535%0.35320%0.195SC..Hα-helixtrans-61.9-22.4-178.5-62.9-34.1000113M149 I153 K154 G155M149-N151 VanDerWaalsContact C-N 3.26Å; M149-N151 PolarHBondContact O-N 2.99Å; M149-N151 VanDerWaalsContact O-N 3.16Å; N151-I153 VanDerWaalsContact C-N 3.27Å; N151-I153 PolarHBondContact O-N 2.91Å; N151-K154 PolarHBondContact O-N 2.98Å; N151-G155 PolarHBondContact O-N 2.92Å
152C87.9Confident92.7Very high33 Ų3339.5 Ų39.522%0.22320%0.199CC..Hα-helixtrans-66-29.8174.4-65.80000112.7F76 M149 E150 A156F76-C152 HydrophobicContact CB-CB 4.19Å; F76-C152 HydrophobicContact CD1-CB 4.25Å; F76-C152 HydrophobicContact CD2-CB 3.49Å; F76-C152 VanDerWaalsContact CD2-CB 3.49Å; F76-C152 HydrophobicContact CE1-CB 4.46Å; F76-C152 HydrophobicContact CE2-CB 3.76Å; F76-C152 HydrophobicContact CG-CB 3.75Å; F76-C152 HydrophobicContact CZ-CB 4.23Å; M149-C152 VanDerWaalsContact O-CB 3.3Å; M149-C152 WeakPolarHBondContact O-CB 3.39Å; M149-C152 PolarHBondContact O-N 2.99Å; E150-C152 PolarHBondContact O-N 3.18Å; E150-C152 VanDerWaalsContact O-N 3.11Å; C152-A156 WeakPolarHBondContact O-CB 3.31Å; C152-A156 PolarHBondContact O-N 3.14Å; C152-A156 VanDerWaalsContact O-N 3.12Å
153I89.1Confident92.5Very high59 Ų5936.9 Ų36.930%0.30319%0.189SC..Hα-helixtrans-72.2-46.4174.1-55.9174.9000109.6E74 V93 E150 N151 G155 A156 Q157E74-I153 HydrophobicContact CB-CD1 4.41Å; V93-I153 HydrophobicContact CG1-CD1 3.94Å; V93-I153 HydrophobicContact CG1-CG1 3.99Å; E150-I153 WeakPolarHBondContact O-CB 3.4Å; E150-I153 PolarHBondContact O-N 2.79Å; N151-I153 VanDerWaalsContact C-N 3.27Å; N151-I153 PolarHBondContact O-N 2.91Å; I153-G155 PolarHBondContact O-N 3.47Å; I153-A156 PolarHBondContact O-N 3.38Å; I153-Q157 PolarHBondContact O-N 3.3Å
154K91.8Very high92.3Very high98 Ų9844.1 Ų44.143%0.42622%0.216SC..Hα-helixtrans-60.9-43.1176.7-66174.8-174.8161.30111.9E150 N151 Q157 C158 A276E150-K154 WeakPolarHBondContact OE1-CE 3.45Å; E150-K154 IonicContact OE1-NZ 2.67Å; E150-K154 PolarHBondContact OE1-NZ 3.26Å; N151-K154 PolarHBondContact O-N 2.98Å; K154-Q157 PolarHBondContact O-N 3.46Å; K154-C158 WeakPolarHBondContact O-CB 3.28Å; K154-C158 PolarHBondContact O-N 3.4Å; K154-A276 HydrophobicContact CB-CB 3.91Å
155G92.5Very high92.2Very high5 Ų546.8 Ų46.85%0.05223%0.23CC..Hα-helixtrans-62-42.717500000112.8N151 I153 C158 L159N151-G155 PolarHBondContact O-N 2.92Å; I153-G155 PolarHBondContact O-N 3.47Å; G155-C158 PolarHBondContact O-N 3.13Å; G155-L159 PolarHBondContact O-N 3.34Å
156A91.9Very high92.2Very high6 Ų647.6 Ų47.65%0.0523%0.233CC..Hα-helixtrans-64.3-42.5174.900000112.3R80 T81 C152 I153 L159 M160R80-A156 HydrophobicContact CG-CB 4.34Å; T81-A156 HydrophobicContact CG2-CB 3.93Å; C152-A156 WeakPolarHBondContact O-CB 3.31Å; C152-A156 PolarHBondContact O-N 3.14Å; C152-A156 VanDerWaalsContact O-N 3.12Å; I153-A156 PolarHBondContact O-N 3.38Å; A156-L159 PolarHBondContact O-N 2.7Å; A156-M160 WeakPolarHBondContact O-CG 3.5Å; A156-M160 PolarHBondContact O-N 3.28Å; A156-M160 VanDerWaalsContact O-N 3.09Å
157Q92.4Very high92.1Very high76 Ų7649.6 Ų49.636%0.35525%0.246SC..Hα-helixtrans-60.6-48.5174.9-176.954.453.100111.5I153 K154 L159 M160 D161I153-Q157 PolarHBondContact O-N 3.3Å; K154-Q157 PolarHBondContact O-N 3.46Å; Q157-L159 VanDerWaalsContact C-N 3.31Å; Q157-L159 PolarHBondContact O-N 3.37Å; Q157-M160 HydrophobicContact CB-CE 4.46Å; Q157-M160 WeakPolarHBondContact O-CA 3.07Å; Q157-M160 WeakPolarHBondContact O-CB 3.36Å; Q157-M160 PolarHBondContact O-N 2.97Å; Q157-M160 VanDerWaalsContact OE1-CE 3.31Å; Q157-D161 VanDerWaalsContact NE2-CG 3.3Å; Q157-D161 PolarHBondContact NE2-OD1 3.47Å; Q157-D161 PolarHBondContact NE2-OD2 3.29Å; Q157-D161 PolarHBondContact O-N 3.42Å
158C93.6Very high92.2Very high28 Ų2849.3 Ų49.319%0.18925%0.245CC..Hα-helixtrans-55.8-41.3176.4179.10000112.8K154 G155 D161 F162 P275K154-C158 WeakPolarHBondContact O-CB 3.28Å; K154-C158 PolarHBondContact O-N 3.4Å; G155-C158 PolarHBondContact O-N 3.13Å; C158-D161 PolarHBondContact O-N 2.82Å; C158-F162 VanDerWaalsContact O-CD2 3.25Å; C158-F162 WeakPolarHBondContact O-CD2 3.42Å; C158-F162 PolarHBondContact O-N 2.88Å; C158-F162 WeakPolarHBondContact SG-CE2 3.44Å; C158-P275 VanDerWaalsContact SG-CG 3.57Å
159L94.4Very high92.5Very high8 Ų845.9 Ų45.94%0.04223%0.227CC..Hα-helixtrans-65.3-38.5173.3-68.6-165.6000113T81 G155 A156 Q157 D161 F162 M163 Y196 T199 L200T81-L159 HydrophobicContact CG2-CB 4.18Å; G155-L159 PolarHBondContact O-N 3.34Å; A156-L159 PolarHBondContact O-N 2.7Å; Q157-L159 VanDerWaalsContact C-N 3.31Å; Q157-L159 PolarHBondContact O-N 3.37Å; L159-D161 VanDerWaalsContact C-N 3.31Å; L159-D161 PolarHBondContact O-N 2.99Å; L159-F162 PolarHBondContact O-N 3.47Å; L159-M163 WeakPolarHBondContact O-CG 3.31Å; L159-M163 PolarHBondContact O-N 2.71Å; L159-Y196 HydrophobicContact CD1-CD2 3.77Å; L159-Y196 HydrophobicContact CD1-CE2 4.15Å; L159-Y196 HydrophobicContact CD2-CD2 4.2Å; L159-Y196 HydrophobicContact CD2-CE2 3.92Å; L159-Y196 HydrophobicContact CG-CD2 4.01Å; L159-Y196 HydrophobicContact CG-CE2 3.84Å; L159-T199 HydrophobicContact CD1-CG2 3.94Å; L159-T199 HydrophobicContact CD2-CG2 3.71Å; L159-T199 HydrophobicContact CG-CG2 4.35Å; L159-L200 HydrophobicContact CD2-CD2 3.95Å
160M93.6Very high92.9Very high19 Ų1944.4 Ų44.49%0.09422%0.219CC..Hα-helixtrans-64.2-37.6176.2-68.8-174.8-65.100111.8T81 A156 Q157 M163 R164T81-M160 HydrophobicContact CG2-CG 4.16Å; A156-M160 WeakPolarHBondContact O-CG 3.5Å; A156-M160 PolarHBondContact O-N 3.28Å; A156-M160 VanDerWaalsContact O-N 3.09Å; Q157-M160 HydrophobicContact CB-CE 4.46Å; Q157-M160 WeakPolarHBondContact O-CA 3.07Å; Q157-M160 WeakPolarHBondContact O-CB 3.36Å; Q157-M160 PolarHBondContact O-N 2.97Å; Q157-M160 VanDerWaalsContact OE1-CE 3.31Å; M160-M163 HydrophobicContact CB-CE 4.36Å; M160-M163 HydrophobicContact CG-CE 3.95Å; M160-M163 PolarHBondContact O-N 2.79Å; M160-R164 WeakPolarHBondContact O-CG 3.34Å; M160-R164 PolarHBondContact O-N 3.1Å; M160-R164 VanDerWaalsContact O-N 3.16Å
161D94.6Very high93.4Very high58 Ų5843.1 Ų43.131%0.3121%0.212SC..Hα-helixtrans-69.6-40.7175.7-63.1-42000111.9Q157 C158 L159 M163 R164 I165Q157-D161 VanDerWaalsContact NE2-CG 3.3Å; Q157-D161 PolarHBondContact NE2-OD1 3.47Å; Q157-D161 PolarHBondContact NE2-OD2 3.29Å; Q157-D161 PolarHBondContact O-N 3.42Å; C158-D161 PolarHBondContact O-N 2.82Å; L159-D161 VanDerWaalsContact C-N 3.31Å; L159-D161 PolarHBondContact O-N 2.99Å; D161-M163 VanDerWaalsContact C-N 3.32Å; D161-M163 PolarHBondContact O-N 3.22Å; D161-R164 WeakPolarHBondContact O-CB 3.39Å; D161-R164 PolarHBondContact O-N 3.47Å; D161-R164 VanDerWaalsContact O-N 3.16Å; D161-R164 IonicContact OD1-CZ 2.85Å; D161-R164 IonicContact OD1-NH1 2.79Å; D161-R164 PolarHBondContact OD1-NH1 3.06Å; D161-I165 VanDerWaalsContact O-CG1 3.31Å; D161-I165 WeakPolarHBondContact O-CG1 3.43Å; D161-I165 PolarHBondContact O-N 2.95Å; D161-I165 VanDerWaalsContact O-N 3.1Å
162F96.1Very high93.9Very high23 Ų2340 Ų4010%0.10120%0.195CC..Hα-helixtrans-61.4-35.9170.5-75.5-51.8000113.4C158 L159 R164 I165 Y166 L169 L200 V203 V245C158-F162 VanDerWaalsContact O-CD2 3.25Å; C158-F162 WeakPolarHBondContact O-CD2 3.42Å; C158-F162 PolarHBondContact O-N 2.88Å; C158-F162 WeakPolarHBondContact SG-CE2 3.44Å; L159-F162 PolarHBondContact O-N 3.47Å; F162-R164 VanDerWaalsContact C-N 3.29Å; F162-R164 PolarHBondContact O-N 2.85Å; F162-I165 PolarHBondContact O-N 2.72Å; F162-Y166 HydrophobicContact CD1-CD2 4.3Å; F162-Y166 HydrophobicContact CD1-CE2 4.02Å; F162-Y166 WeakPolarHBondContact O-CD2 3.45Å; F162-Y166 PolarHBondContact O-N 3.21Å; F162-L169 HydrophobicContact CB-CD2 3.74Å; F162-L200 HydrophobicContact CE2-CD2 4.43Å; F162-V203 HydrophobicContact CB-CG2 3.78Å; F162-V203 HydrophobicContact CD1-CG1 3.66Å; F162-V203 HydrophobicContact CD1-CG2 4.37Å; F162-V203 HydrophobicContact CD2-CG1 4.03Å; F162-V203 HydrophobicContact CD2-CG2 3.88Å; F162-V203 HydrophobicContact CE1-CG1 3.67Å; F162-V203 HydrophobicContact CE2-CG1 4.02Å; F162-V203 HydrophobicContact CG-CG1 3.86Å; F162-V203 HydrophobicContact CG-CG2 3.78Å; F162-V203 HydrophobicContact CZ-CG1 3.85Å; F162-V245 HydrophobicContact CE2-CB 4.39Å; F162-V245 HydrophobicContact CE2-CG2 4.1Å; F162-V245 HydrophobicContact CZ-CB 3.98Å; F162-V245 HydrophobicContact CZ-CG2 4.01Å
163M93.9Very high94.3Very high32 Ų3238.5 Ų38.516%0.15819%0.185CC..Hα-helixtrans-69.9-24.4176.2-72.3-176.2-59.900113.3T81 L83 L159 M160 D161 L169 F170T81-M163 WeakPolarHBondContact O-CE 3.44Å; L83-M163 HydrophobicContact CD1-CE 4.38Å; L83-M163 HydrophobicContact CD1-SD 3.8Å; L83-M163 HydrophobicContact CD2-SD 3.78Å; L83-M163 HydrophobicContact CG-CE 4.42Å; L83-M163 HydrophobicContact CG-SD 3.82Å; L159-M163 WeakPolarHBondContact O-CG 3.31Å; L159-M163 PolarHBondContact O-N 2.71Å; M160-M163 HydrophobicContact CB-CE 4.36Å; M160-M163 HydrophobicContact CG-CE 3.95Å; M160-M163 PolarHBondContact O-N 2.79Å; D161-M163 VanDerWaalsContact C-N 3.32Å; D161-M163 PolarHBondContact O-N 3.22Å; M163-L169 HydrophobicContact CB-CD2 4.47Å; M163-L169 HydrophobicContact CG-CB 4.4Å; M163-L169 HydrophobicContact CG-CD2 3.69Å; M163-L169 HydrophobicContact CG-CG 3.96Å; M163-F170 HydrophobicContact SD-CB 4.31Å; M163-F170 HydrophobicContact SD-CD2 3.78Å
164R93.9Very high94.7Very high152 Ų15235.7 Ų35.757%0.57417%0.17SC*.Hα-helixtrans-74.7-36.6170.6-67.1163.9179.2169-8.2111.8M160 D161 F162M160-R164 WeakPolarHBondContact O-CG 3.34Å; M160-R164 PolarHBondContact O-N 3.1Å; M160-R164 VanDerWaalsContact O-N 3.16Å; D161-R164 WeakPolarHBondContact O-CB 3.39Å; D161-R164 PolarHBondContact O-N 3.47Å; D161-R164 VanDerWaalsContact O-N 3.16Å; D161-R164 IonicContact OD1-CZ 2.85Å; D161-R164 IonicContact OD1-NH1 2.79Å; D161-R164 PolarHBondContact OD1-NH1 3.06Å; F162-R164 VanDerWaalsContact C-N 3.29Å; F162-R164 PolarHBondContact O-N 2.85Å
165I94.8Very high95Very high76 Ų7631.1 Ų31.139%0.3915%0.151SC..Hα-helixtrans-77.5-33.8-178.8-64.1164.2000111.8D161 F162 H215D161-I165 VanDerWaalsContact O-CG1 3.31Å; D161-I165 WeakPolarHBondContact O-CG1 3.43Å; D161-I165 PolarHBondContact O-N 2.95Å; D161-I165 VanDerWaalsContact O-N 3.1Å; F162-I165 PolarHBondContact O-N 2.72Å; I165-H215 VanDerWaalsContact CG2-CE1 3.45Å; I165-H215 WeakPolarHBondContact CG2-CE1 3.39Å; I165-H215 PolarHBondContact O-ND1 3.09Å
166Y96.3Very high95.2Very high16 Ų1630.9 Ų30.96%0.06315%0.148CC..  trans-125.688.4-175.9-58.3-67.6000111.2F162 P168 L169 L206 Q207 T214 H215F162-Y166 HydrophobicContact CD1-CD2 4.3Å; F162-Y166 HydrophobicContact CD1-CE2 4.02Å; F162-Y166 WeakPolarHBondContact O-CD2 3.45Å; F162-Y166 PolarHBondContact O-N 3.21Å; Y166-P168 VanDerWaalsContact C-CD 3.4Å; Y166-L169 WeakPolarHBondContact O-CB 3.25Å; Y166-L169 PolarHBondContact O-N 3.06Å; Y166-L206 HydrophobicContact CD1-CB 4.14Å; Y166-L206 HydrophobicContact CG-CB 4.27Å; Y166-Q207 HydrophobicContact CE2-CG 3.9Å; Y166-Q207 VanDerWaalsContact OH-CG 3.25Å; Y166-Q207 WeakPolarHBondContact OH-CG 3.43Å; Y166-T214 WeakPolarHBondContact CE1-OG1 3.49Å; Y166-H215 AromaticContact CD1-ND1 3.98Å; Y166-H215 AromaticContact CE1-CE1 3.35Å; Y166-H215 WeakPolarHBondContact CE1-CE1 3.43Å; Y166-H215 AromaticContact CE1-ND1 3.72Å; Y166-H215 AromaticContact CZ-CE1 3.81Å
167P94.4Very high95.5Very high46 Ų4631.4 Ų31.430%0.29915%0.149SC..THydrogen-bonded Turntrans-48.7-41.1-179.5-28.636000116.7L169 H215 D217P167-L169 PolarHBondContact O-N 2.99Å; P167-H215 WeakPolarHBondContact CD-O 3.28Å; P167-H215 WeakPolarHBondContact CG-O 3.49Å; P167-D217 HydrophobicContact CB-CB 4.04Å; P167-D217 HydrophobicContact CG-CB 4.34Å
168P95.7Very high95.7Very high7 Ų728 Ų285%0.04513%0.134CC..Hα-helixtrans-70.9-16-179.728.8-37.3000114Y166 F170 K171 L172 L206 L219 L221 L224Y166-P168 VanDerWaalsContact C-CD 3.4Å; P168-F170 VanDerWaalsContact C-N 3.28Å; P168-F170 PolarHBondContact O-N 3.09Å; P168-K171 PolarHBondContact O-N 2.99Å; P168-L172 HydrophobicContact CB-CD1 4.19Å; P168-L172 WeakPolarHBondContact O-CB 3.46Å; P168-L172 WeakPolarHBondContact O-CG 3.39Å; P168-L172 PolarHBondContact O-N 3Å; P168-L206 HydrophobicContact CG-CD1 4.16Å; P168-L206 HydrophobicContact CG-CD2 3.87Å; P168-L219 HydrophobicContact CG-CD1 4.11Å; P168-L221 HydrophobicContact CB-CD2 3.99Å; P168-L224 HydrophobicContact CB-CD1 3.71Å; P168-L224 HydrophobicContact CG-CD1 3.96Å
169L96.7Very high95.9Very high0 Ų026.7 Ų26.70%013%0.125CC..Hα-helixtrans-54.7-43.2-176.6177.759.1000112.3F162 M163 Y166 P167 A173 T199 I202 V203 L206F162-L169 HydrophobicContact CB-CD2 3.74Å; M163-L169 HydrophobicContact CB-CD2 4.47Å; M163-L169 HydrophobicContact CG-CB 4.4Å; M163-L169 HydrophobicContact CG-CD2 3.69Å; M163-L169 HydrophobicContact CG-CG 3.96Å; Y166-L169 WeakPolarHBondContact O-CB 3.25Å; Y166-L169 PolarHBondContact O-N 3.06Å; P167-L169 PolarHBondContact O-N 2.99Å; L169-A173 WeakPolarHBondContact O-CB 3.35Å; L169-A173 PolarHBondContact O-N 2.93Å; L169-T199 HydrophobicContact CD1-CG2 3.93Å; L169-T199 HydrophobicContact CD2-CG2 4.4Å; L169-T199 HydrophobicContact CG-CG2 4.36Å; L169-I202 HydrophobicContact CD1-CB 3.65Å; L169-I202 HydrophobicContact CD1-CG2 3.43Å; L169-I202 VanDerWaalsContact CD1-CG2 3.43Å; L169-V203 HydrophobicContact CD1-CG2 3.93Å; L169-V203 HydrophobicContact CD2-CG2 3.55Å; L169-V203 HydrophobicContact CG-CG2 4.42Å; L169-L206 HydrophobicContact CB-CD1 3.83Å; L169-L206 HydrophobicContact CD1-CD1 4.22Å
170F94.6Very high96.1Very high31 Ų3126.4 Ų26.414%0.13612%0.123CC..Hα-helixtrans-60.7-49.5-177.9-179.5-91.8000111.9L44 S82 L83 M163 P168 A173 L174L44-F170 HydrophobicContact CD2-CE1 3.83Å; L44-F170 HydrophobicContact CD2-CZ 3.7Å; S82-F170 WeakPolarHBondContact O-CE2 3.35Å; L83-F170 HydrophobicContact CD2-CD2 3.53Å; L83-F170 HydrophobicContact CD2-CE2 3.81Å; L83-F170 HydrophobicContact CD2-CG 4.23Å; L83-F170 HydrophobicContact CG-CD2 4.48Å; M163-F170 HydrophobicContact SD-CB 4.31Å; M163-F170 HydrophobicContact SD-CD2 3.78Å; P168-F170 VanDerWaalsContact C-N 3.28Å; P168-F170 PolarHBondContact O-N 3.09Å; F170-A173 PolarHBondContact O-N 3.21Å; F170-L174 HydrophobicContact CD1-CD1 4.12Å; F170-L174 HydrophobicContact CE1-CD1 3.5Å; F170-L174 VanDerWaalsContact CE1-CD1 3.5Å; F170-L174 HydrophobicContact CE1-CG 4.4Å; F170-L174 HydrophobicContact CZ-CD1 3.89Å; F170-L174 PolarHBondContact O-N 3.05Å
171K95.9Very high96.2Very high66 Ų6627.7 Ų27.729%0.28713%0.13SC..Hα-helixtrans-68.4-46.6-178.3-63.9-174.6-169.2-174.30111.2E37 C40 P168 A173 L174 V175 L221E37-K171 IonicContact OE1-NZ 3.55Å; E37-K171 PolarHBondContact OE1-NZ 3.05Å; E37-K171 IonicContact OE2-NZ 2.74Å; E37-K171 PolarHBondContact OE2-NZ 3.45Å; C40-K171 HydrophobicContact CB-CG 4.43Å; P168-K171 PolarHBondContact O-N 2.99Å; K171-A173 VanDerWaalsContact C-N 3.29Å; K171-A173 PolarHBondContact O-N 3.34Å; K171-L174 PolarHBondContact O-N 2.62Å; K171-V175 VanDerWaalsContact O-CG2 3.24Å; K171-V175 WeakPolarHBondContact O-CG2 3.31Å; K171-V175 PolarHBondContact O-N 3.48Å; K171-V175 VanDerWaalsContact O-N 3.11Å; K171-L221 HydrophobicContact CB-CD1 4.11Å; K171-L221 HydrophobicContact CB-CD2 4.22Å; K171-L221 HydrophobicContact CD-CD1 3.63Å; K171-L221 HydrophobicContact CD-CD2 4.41Å
172L97.8Very high96.2Very high2 Ų227.7 Ų27.71%0.0113%0.129CC..Hα-helixtrans-59.1-39.5175.5-69.3172.9000112P168 V175 L176 I202 L206 L224 L225P168-L172 HydrophobicContact CB-CD1 4.19Å; P168-L172 WeakPolarHBondContact O-CB 3.46Å; P168-L172 WeakPolarHBondContact O-CG 3.39Å; P168-L172 PolarHBondContact O-N 3Å; L172-V175 PolarHBondContact O-N 2.88Å; L172-L176 VanDerWaalsContact O-CB 3.3Å; L172-L176 WeakPolarHBondContact O-CB 3.4Å; L172-L176 WeakPolarHBondContact O-CG 3.34Å; L172-L176 PolarHBondContact O-N 2.81Å; L172-I202 HydrophobicContact CB-CG2 3.92Å; L172-I202 HydrophobicContact CD1-CG2 4.04Å; L172-L206 HydrophobicContact CD1-CD1 4.42Å; L172-L206 HydrophobicContact CD1-CD2 4.14Å; L172-L224 HydrophobicContact CD1-CB 4.1Å; L172-L224 HydrophobicContact CD1-CD1 4.3Å; L172-L224 HydrophobicContact CD2-CB 4.23Å; L172-L225 HydrophobicContact CD2-CB 4.34Å
173A97.5Very high96.1Very high0 Ų029.7 Ų29.70%014%0.135CC..Hα-helixtrans-64.7-42.4177.400000112.5L83 L169 F170 K171 K177 I202L83-A173 HydrophobicContact CD1-CB 4.35Å; L83-A173 HydrophobicContact CD2-CB 3.87Å; L169-A173 WeakPolarHBondContact O-CB 3.35Å; L169-A173 PolarHBondContact O-N 2.93Å; F170-A173 PolarHBondContact O-N 3.21Å; K171-A173 VanDerWaalsContact C-N 3.29Å; K171-A173 PolarHBondContact O-N 3.34Å; A173-K177 WeakPolarHBondContact O-CB 3.46Å; A173-K177 WeakPolarHBondContact O-CG 3.44Å; A173-K177 PolarHBondContact O-N 3.47Å; A173-I202 HydrophobicContact CB-CD1 4.01Å
174L96Very high96.2Very high0 Ų032.6 Ų32.60%016%0.158CC..Hα-helixtrans-62.3-46.5175.6-67.8175.7000111.9I43 L44 L85 F170 K171 K177 Q178I43-L174 HydrophobicContact CG2-CB 4.13Å; I43-L174 HydrophobicContact CG2-CD1 4.11Å; L44-L174 HydrophobicContact CD2-CD1 4.12Å; L44-L174 HydrophobicContact CG-CD1 4.23Å; L85-L174 HydrophobicContact CD2-CD2 4.19Å; F170-L174 HydrophobicContact CD1-CD1 4.12Å; F170-L174 HydrophobicContact CE1-CD1 3.5Å; F170-L174 VanDerWaalsContact CE1-CD1 3.5Å; F170-L174 HydrophobicContact CE1-CG 4.4Å; F170-L174 HydrophobicContact CZ-CD1 3.89Å; F170-L174 PolarHBondContact O-N 3.05Å; K171-L174 PolarHBondContact O-N 2.62Å; L174-K177 PolarHBondContact O-N 3.06Å; L174-Q178 PolarHBondContact O-N 3.39Å; L174-Q178 VanDerWaalsContact O-N 3.11Å
175V97.6Very high96.3Very high2 Ų226.6 Ų26.61%0.01214%0.137CC..Hα-helixtrans-59.3-53.6178.4171.50000110.9L36 F39 K171 L172 K177 Q178 F179 L225 I326L36-V175 HydrophobicContact CD2-CB 4.28Å; L36-V175 HydrophobicContact CD2-CG1 3.68Å; L36-V175 HydrophobicContact CD2-CG2 3.54Å; F39-V175 HydrophobicContact CD1-CG2 3.64Å; F39-V175 HydrophobicContact CE1-CB 4.32Å; F39-V175 HydrophobicContact CE1-CG2 3.76Å; K171-V175 VanDerWaalsContact O-CG2 3.24Å; K171-V175 WeakPolarHBondContact O-CG2 3.31Å; K171-V175 PolarHBondContact O-N 3.48Å; K171-V175 VanDerWaalsContact O-N 3.11Å; L172-V175 PolarHBondContact O-N 2.88Å; V175-K177 VanDerWaalsContact C-N 3.34Å; V175-K177 PolarHBondContact O-N 2.79Å; V175-Q178 PolarHBondContact O-N 3Å; V175-F179 WeakPolarHBondContact O-CB 3.49Å; V175-F179 PolarHBondContact O-N 3.38Å; V175-L225 HydrophobicContact CG1-CD1 3.85Å; V175-L225 HydrophobicContact CG1-CD2 3.98Å; V175-I326 HydrophobicContact CB-CD1 4.4Å; V175-I326 HydrophobicContact CG1-CD1 3.5Å; V175-I326 VanDerWaalsContact CG1-CD1 3.5Å; V175-I326 VanDerWaalsContact O-CD1 3.25Å; V175-I326 WeakPolarHBondContact O-CD1 3.41Å
176L98.4Very high96.3Very high0 Ų024.8 Ų24.80%013%0.128CC..Hα-helixtrans-71.2-28.1-177-69.5164.9000112.8L172 F179 L180 L198 I202 L225 F228 F229 F296L172-L176 VanDerWaalsContact O-CB 3.3Å; L172-L176 WeakPolarHBondContact O-CB 3.4Å; L172-L176 WeakPolarHBondContact O-CG 3.34Å; L172-L176 PolarHBondContact O-N 2.81Å; L176-F179 WeakPolarHBondContact O-CB 3.37Å; L176-F179 PolarHBondContact O-N 3.38Å; L176-L180 WeakPolarHBondContact O-CG 3.38Å; L176-L180 PolarHBondContact O-N 2.99Å; L176-L180 VanDerWaalsContact O-N 3.1Å; L176-L198 HydrophobicContact CB-CD1 4.09Å; L176-L198 HydrophobicContact CB-CD2 3.87Å; L176-L198 HydrophobicContact CB-CG 4.4Å; L176-I202 HydrophobicContact CB-CD1 4.32Å; L176-I202 HydrophobicContact CD1-CD1 3.58Å; L176-I202 HydrophobicContact CD1-CG1 3.66Å; L176-L225 HydrophobicContact CD2-CD1 3.87Å; L176-L225 HydrophobicContact CG-CD1 4.17Å; L176-F228 HydrophobicContact CD1-CD1 3.66Å; L176-F228 HydrophobicContact CD1-CD2 4.1Å; L176-F228 HydrophobicContact CD1-CE1 3.53Å; L176-F228 HydrophobicContact CD1-CE2 3.95Å; L176-F228 HydrophobicContact CD1-CG 3.98Å; L176-F228 HydrophobicContact CD1-CZ 3.68Å; L176-F228 HydrophobicContact CD2-CD1 3.77Å; L176-F228 HydrophobicContact CD2-CE1 3.65Å; L176-F228 HydrophobicContact CG-CD1 4.39Å; L176-F228 HydrophobicContact CG-CE1 4.23Å; L176-F229 HydrophobicContact CD2-CD1 4.25Å; L176-F229 HydrophobicContact CD2-CE1 3.42Å; L176-F229 VanDerWaalsContact CD2-CE1 3.42Å; L176-F229 HydrophobicContact CD2-CZ 3.75Å; L176-F296 HydrophobicContact CD2-CE1 4.49Å
177K97.5Very high96.1Very high17 Ų1728.2 Ų28.27%0.07415%0.145CC..Hα-helixtrans-65.1-44.8170.4-77.4177.267.6156.10111.6L83 L85 A173 L174 V175 F179 L180 L181 S195 L198L83-K177 WeakPolarHBondContact O-CE 3.41Å; L83-K177 PolarHBondContact O-NZ 2.86Å; L85-K177 HydrophobicContact CD1-CB 3.87Å; L85-K177 HydrophobicContact CD2-CB 4.44Å; L85-K177 HydrophobicContact CG-CB 4.27Å; A173-K177 WeakPolarHBondContact O-CB 3.46Å; A173-K177 WeakPolarHBondContact O-CG 3.44Å; A173-K177 PolarHBondContact O-N 3.47Å; L174-K177 PolarHBondContact O-N 3.06Å; V175-K177 VanDerWaalsContact C-N 3.34Å; V175-K177 PolarHBondContact O-N 2.79Å; K177-F179 VanDerWaalsContact C-N 3.33Å; K177-L180 PolarHBondContact O-N 2.97Å; K177-L181 VanDerWaalsContact O-CB 3.28Å; K177-L181 WeakPolarHBondContact O-CB 3.48Å; K177-L181 PolarHBondContact O-N 2.99Å; K177-S195 WeakPolarHBondContact CD-OG 3.47Å; K177-S195 VanDerWaalsContact CE-OG 3.31Å; K177-S195 WeakPolarHBondContact CE-OG 3.3Å; K177-S195 PolarHBondContact NZ-OG 3.01Å; K177-L198 HydrophobicContact CB-CD2 4.48Å; K177-L198 HydrophobicContact CG-CD2 3.74Å
178Q97.2Very high96Very high5 Ų529.1 Ų29.12%0.02315%0.149CC..Hα-helixtrans-63.5-42.2176-178.860.329.700111.1F39 L85 L174 V175 L180 L181 Q182 I326 Q327 V328F39-Q178 HydrophobicContact CE2-CB 4.44Å; F39-Q178 HydrophobicContact CE2-CG 4.13Å; F39-Q178 HydrophobicContact CZ-CB 3.72Å; F39-Q178 HydrophobicContact CZ-CG 3.9Å; L85-Q178 HydrophobicContact CD1-CB 4.42Å; L174-Q178 PolarHBondContact O-N 3.39Å; L174-Q178 VanDerWaalsContact O-N 3.11Å; V175-Q178 PolarHBondContact O-N 3Å; Q178-L180 VanDerWaalsContact C-N 3.31Å; Q178-L180 PolarHBondContact O-N 3.38Å; Q178-L181 PolarHBondContact O-N 2.71Å; Q178-Q182 PolarHBondContact O-N 3.12Å; Q178-Q182 PolarHBondContact O-OE1 3.1Å; Q178-I326 HydrophobicContact CB-CG2 4.48Å; Q178-I326 HydrophobicContact CG-CG2 3.75Å; Q178-Q327 PolarHBondContact NE2-O 3.16Å; Q178-V328 HydrophobicContact CG-CG2 4.26Å
179F98Very high95.6Very high0 Ų036.9 Ų36.90%018%0.182CC..Hα-helixtrans-55.2-41.8176.3177.1-87.3000113.3V175 L176 K177 R183 F229 A295 F296 A299 V325 I326V175-F179 WeakPolarHBondContact O-CB 3.49Å; V175-F179 PolarHBondContact O-N 3.38Å; L176-F179 WeakPolarHBondContact O-CB 3.37Å; L176-F179 PolarHBondContact O-N 3.38Å; K177-F179 VanDerWaalsContact C-N 3.33Å; F179-R183 PolarHBondContact O-NH1 3.5Å; F179-F229 HydrophobicContact CD1-CE1 4.15Å; F179-F229 HydrophobicContact CD2-CE1 4.11Å; F179-F229 AromaticContact CD2-CZ 3.72Å; F179-F229 HydrophobicContact CD2-CZ 3.72Å; F179-F229 HydrophobicContact CE1-CE1 4.06Å; F179-F229 AromaticContact CE2-CE1 3.99Å; F179-F229 HydrophobicContact CE2-CE1 3.99Å; F179-F229 AromaticContact CE2-CZ 3.81Å; F179-F229 HydrophobicContact CE2-CZ 3.81Å; F179-F229 HydrophobicContact CG-CE1 4.2Å; F179-F229 HydrophobicContact CG-CZ 4.11Å; F179-F229 AromaticContact CZ-CE1 3.98Å; F179-F229 HydrophobicContact CZ-CE1 3.98Å; F179-F229 HydrophobicContact CZ-CZ 4.28Å; F179-A295 HydrophobicContact CE1-CB 3.97Å; F179-A295 HydrophobicContact CZ-CB 4.08Å; F179-A295 WeakPolarHBondContact CZ-O 3.3Å; F179-F296 HydrophobicContact CD1-CD1 4.16Å; F179-F296 AromaticContact CD1-CE1 3.95Å; F179-F296 HydrophobicContact CD1-CE1 3.95Å; F179-F296 AromaticContact CE1-CD1 3.56Å; F179-F296 HydrophobicContact CE1-CD1 3.56Å; F179-F296 AromaticContact CE1-CE1 3.77Å; F179-F296 HydrophobicContact CE1-CE1 3.77Å; F179-F296 HydrophobicContact CZ-CD1 4.26Å; F179-A299 HydrophobicContact CE2-CB 3.51Å; F179-A299 HydrophobicContact CZ-CB 3.71Å; F179-V325 HydrophobicContact CD2-CB 4.43Å; F179-V325 WeakPolarHBondContact CD2-O 3.07Å; F179-V325 HydrophobicContact CE2-CB 4.23Å; F179-I326 HydrophobicContact CB-CD1 4.04Å; F179-I326 HydrophobicContact CB-CG1 3.96Å; F179-I326 HydrophobicContact CD2-CG1 4.09Å
180L97.7Very high95.4Very high2 Ų243.6 Ų43.61%0.0121%0.212CC..Hα-helixtrans-76.4-39.6174.9-65.8-176.6000112.4L176 K177 Q178 Q182 R183 C184 L185 N186 L193 L198 V292 F296L176-L180 WeakPolarHBondContact O-CG 3.38Å; L176-L180 PolarHBondContact O-N 2.99Å; L176-L180 VanDerWaalsContact O-N 3.1Å; K177-L180 PolarHBondContact O-N 2.97Å; Q178-L180 VanDerWaalsContact C-N 3.31Å; Q178-L180 PolarHBondContact O-N 3.38Å; L180-Q182 PolarHBondContact O-N 3.04Å; L180-R183 CarbonylContact O-C 3.48Å; L180-R183 PolarHBondContact O-N 3.16Å; L180-R183 VanDerWaalsContact O-N 3.13Å; L180-C184 PolarHBondContact O-N 3.33Å; L180-L185 HydrophobicContact CB-CB 4.32Å; L180-L185 HydrophobicContact CD2-CB 3.93Å; L180-L185 PolarHBondContact O-N 3.45Å; L180-N186 HydrophobicContact CB-CB 4.15Å; L180-L193 HydrophobicContact CD1-CB 3.96Å; L180-L193 HydrophobicContact CD1-CD2 4.09Å; L180-L193 HydrophobicContact CD1-CG 4.15Å; L180-L198 HydrophobicContact CD1-CD1 4.33Å; L180-L198 HydrophobicContact CD1-CD2 3.92Å; L180-L198 HydrophobicContact CD1-CG 4.49Å; L180-V292 HydrophobicContact CD2-CG1 3.96Å; L180-F296 HydrophobicContact CD2-CE1 4.03Å; L180-F296 HydrophobicContact CD2-CZ 4.25Å
181L95.5Very high95.3Very high47 Ų4742.3 Ų42.325%0.24621%0.207CC..Hα-helixtrans-58.4-49.5-178178.162.8000111.9L85 K177 Q178 R183 C184L85-L181 HydrophobicContact CD1-CB 4.43Å; L85-L181 HydrophobicContact CD1-CD2 3.72Å; K177-L181 VanDerWaalsContact O-CB 3.28Å; K177-L181 WeakPolarHBondContact O-CB 3.48Å; K177-L181 PolarHBondContact O-N 2.99Å; Q178-L181 PolarHBondContact O-N 2.71Å; L181-R183 PolarHBondContact O-N 3.31Å; L181-C184 PolarHBondContact O-N 2.94Å
182Q94.6Very high95.3Very high58 Ų5839.3 Ų39.327%0.27120%0.195SC..THydrogen-bonded Turntrans-64.4-14.9-179.679.5-168.759.400113.8Q178 L180 V325 Q327Q178-Q182 PolarHBondContact O-N 3.12Å; Q178-Q182 PolarHBondContact O-OE1 3.1Å; L180-Q182 PolarHBondContact O-N 3.04Å; Q182-V325 PolarHBondContact NE2-O 3.49Å; Q182-V325 VanDerWaalsContact NE2-O 3.13Å; Q182-Q327 PolarHBondContact OE1-O 2.84Å
183R95Very high95.3Very high65 Ų6539.4 Ų39.425%0.24520%0.196CC..THydrogen-bonded Turntrans-102.82.3178.6-65.3175.6174.572.23.5112.4F179 L180 L181 L185 V325F179-R183 PolarHBondContact O-NH1 3.5Å; L180-R183 CarbonylContact O-C 3.48Å; L180-R183 PolarHBondContact O-N 3.16Å; L180-R183 VanDerWaalsContact O-N 3.13Å; L181-R183 PolarHBondContact O-N 3.31Å; R183-L185 HydrophobicContact CB-CB 4.34Å; R183-L185 HydrophobicContact CB-CD1 3.88Å; R183-L185 HydrophobicContact CB-CG 3.85Å; R183-L185 PolarHBondContact O-N 3.25Å; R183-V325 PolarHBondContact NH1-O 3.42Å; R183-V325 PolarHBondContact NH2-O 2.85Å
184C94.9Very high95.1Very high92 Ų9240.1 Ų40.162%0.62220%0.203SC*.THydrogen-bonded Turntrans53.828.9-169.9-550000113.2L180 L181L180-C184 PolarHBondContact O-N 3.33Å; L181-C184 PolarHBondContact O-N 2.94Å
185L96.8Very high95.1Very high26 Ų2642.2 Ų42.214%0.13622%0.218CC..  trans-96.65.2-179.6-69178.5000113L180 R183 G192 L193 K291 V292 A295L180-L185 HydrophobicContact CB-CB 4.32Å; L180-L185 HydrophobicContact CD2-CB 3.93Å; L180-L185 PolarHBondContact O-N 3.45Å; R183-L185 HydrophobicContact CB-CB 4.34Å; R183-L185 HydrophobicContact CB-CD1 3.88Å; R183-L185 HydrophobicContact CB-CG 3.85Å; R183-L185 PolarHBondContact O-N 3.25Å; L185-G192 CarbonylContact O-C 3.54Å; L185-G192 VanDerWaalsContact O-CA 3.22Å; L185-G192 WeakPolarHBondContact O-CA 3.45Å; L185-L193 PolarHBondContact O-N 3.14Å; L185-K291 HydrophobicContact CD2-CB 4.03Å; L185-V292 HydrophobicContact CB-CG2 4.43Å; L185-V292 HydrophobicContact CD1-CG2 4.5Å; L185-V292 HydrophobicContact CD2-CG2 4.46Å; L185-A295 HydrophobicContact CD1-CB 3.74Å
186N94.3Very high95Very high39 Ų3944.9 Ų44.921%0.20923%0.228CC..SBendtrans-89.7-12.8178.468.6-69.4000113.6L180L180-N186 HydrophobicContact CB-CB 4.15Å
187E92.5Very high94.9Very high88 Ų8845 Ų4541%0.41123%0.23SC..  trans-91.2103.4-172.4-66.2-56145.800112.3F189 F190 G191 G192E187-F189 PolarHBondContact O-N 3.45Å; E187-F190 HydrophobicContact CB-CD2 3.81Å; E187-F190 HydrophobicContact CG-CD2 4.39Å; E187-F190 PolarHBondContact O-N 2.94Å; E187-G191 PolarHBondContact O-N 3.22Å; E187-G192 WeakPolarHBondContact O-CA 3.29Å; E187-G192 PolarHBondContact O-N 2.95Å
188V91.8Very high94.9Very high65 Ų6544.3 Ų44.339%0.39423%0.227SC..G310 helixtrans-59.2-34.5-178.6-177.50000112.3F190 G191V188-F190 PolarHBondContact O-N 2.98Å; V188-G191 PolarHBondContact O-N 3.43Å
189F87.5Confident95Very high169 Ų16944.1 Ų44.174%0.74123%0.226SC*.G310 helixtrans-59.1-29.1177.7-178-99.2000113.2E187 Y287E187-F189 PolarHBondContact O-N 3.45Å; F189-Y287 PolarHBondContact O-OH 2.89Å
190F91.5Very high95Very high142 Ų14244.1 Ų44.162%0.62323%0.226SC*.G310 helixtrans-100.213.9176-58.6-61.5000113.2E187 V188 Y287E187-F190 HydrophobicContact CB-CD2 3.81Å; E187-F190 HydrophobicContact CG-CD2 4.39Å; E187-F190 PolarHBondContact O-N 2.94Å; V188-F190 PolarHBondContact O-N 2.98Å; F190-Y287 PolarHBondContact O-OH 3.14Å
191G93.3Very high95Very high3 Ų344 Ų443%0.03123%0.226CC..THydrogen-bonded Turntrans85.910.9-179.700000114.7E187 V188 C286 Y287 G288E187-G191 PolarHBondContact O-N 3.22Å; V188-G191 PolarHBondContact O-N 3.43Å; G191-C286 CarbonylContact O-C 3.53Å; G191-Y287 VanDerWaalsContact N-CZ 3.33Å; G191-Y287 PolarHBondContact N-OH 3.39Å; G191-G288 VanDerWaalsContact O-CA 3.24Å; G191-G288 WeakPolarHBondContact O-CA 3.46Å; G191-G288 PolarHBondContact O-N 2.87Å
192G96.3Very high95.2Very high4 Ų441.8 Ų41.84%0.04121%0.214CC..  trans-70.7174.1175.200000113.7L185 E187 C286L185-G192 CarbonylContact O-C 3.54Å; L185-G192 VanDerWaalsContact O-CA 3.22Å; L185-G192 WeakPolarHBondContact O-CA 3.45Å; E187-G192 WeakPolarHBondContact O-CA 3.29Å; E187-G192 PolarHBondContact O-N 2.95Å; G192-C286 VanDerWaalsContact C-SG 3.56Å; G192-C286 WeakPolarHBondContact O-CA 3.46Å; G192-C286 WeakPolarHBondContact O-CB 3.49Å; G192-C286 PolarHBondContact O-SG 3.36Å; G192-C286 VanDerWaalsContact O-SG 3.38Å
193L97.4Very high95.3Very high3 Ų339 Ų392%0.01620%0.201CC..  trans-95.2108.7176.9175.958.3000109.7L180 L185 L198 M201 L270 V292 F296L180-L193 HydrophobicContact CD1-CB 3.96Å; L180-L193 HydrophobicContact CD1-CD2 4.09Å; L180-L193 HydrophobicContact CD1-CG 4.15Å; L185-L193 PolarHBondContact O-N 3.14Å; L193-L198 HydrophobicContact CD2-CB 4.11Å; L193-L198 HydrophobicContact CD2-CD1 4.05Å; L193-L198 HydrophobicContact CG-CB 4.08Å; L193-M201 HydrophobicContact CD1-SD 4.24Å; L193-M201 HydrophobicContact CD2-SD 3.59Å; L193-M201 VanDerWaalsContact CD2-SD 3.59Å; L193-L270 HydrophobicContact CD1-CD2 3.74Å; L193-V292 HydrophobicContact CB-CG1 4.36Å; L193-V292 HydrophobicContact CB-CG2 4.22Å; L193-V292 HydrophobicContact CD2-CG1 4.04Å; L193-F296 HydrophobicContact CD2-CZ 4.46Å
194G94.5Very high95.5Very high16 Ų1636 Ų3617%0.16519%0.189CC..  trans-67.7156.3179.700000113.2Y196 G197 L198G194-Y196 VanDerWaalsContact C-N 3.26Å; G194-Y196 PolarHBondContact O-N 2.9Å; G194-Y196 VanDerWaalsContact O-N 3.14Å; G194-G197 PolarHBondContact O-N 3.32Å; G194-L198 PolarHBondContact O-N 3Å
195S94.2Very high95.7Very high44 Ų4431.8 Ų31.831%0.30816%0.161SC..Hα-helixtrans-54.7-36.7-174.8-172.30000113.8K177 T199K177-S195 WeakPolarHBondContact CD-OG 3.47Å; K177-S195 VanDerWaalsContact CE-OG 3.31Å; K177-S195 WeakPolarHBondContact CE-OG 3.3Å; K177-S195 PolarHBondContact NZ-OG 3.01Å; S195-T199 PolarHBondContact O-N 2.81Å; S195-T199 VanDerWaalsContact O-N 3.07Å; S195-T199 PolarHBondContact O-OG1 3.18Å
196Y95.4Very high95.7Very high57 Ų5730.5 Ų30.522%0.22415%0.154CC..Hα-helixtrans-67.3-50.6179.6-173.4-121.6000111.4L159 G194 L198 T199 L200 D274 P275 V282L159-Y196 HydrophobicContact CD1-CD2 3.77Å; L159-Y196 HydrophobicContact CD1-CE2 4.15Å; L159-Y196 HydrophobicContact CD2-CD2 4.2Å; L159-Y196 HydrophobicContact CD2-CE2 3.92Å; L159-Y196 HydrophobicContact CG-CD2 4.01Å; L159-Y196 HydrophobicContact CG-CE2 3.84Å; G194-Y196 VanDerWaalsContact C-N 3.26Å; G194-Y196 PolarHBondContact O-N 2.9Å; G194-Y196 VanDerWaalsContact O-N 3.14Å; Y196-L198 VanDerWaalsContact C-N 3.34Å; Y196-L198 PolarHBondContact O-N 3.47Å; Y196-T199 PolarHBondContact O-N 2.88Å; Y196-L200 HydrophobicContact CD1-CD1 4.23Å; Y196-L200 HydrophobicContact CE1-CD1 3.78Å; Y196-L200 HydrophobicContact CE2-CD1 4.49Å; Y196-L200 HydrophobicContact CE2-CD2 4.49Å; Y196-L200 HydrophobicContact CE2-CG 4.48Å; Y196-L200 WeakPolarHBondContact O-CG 3.38Å; Y196-L200 PolarHBondContact O-N 3.07Å; Y196-D274 PolarHBondContact OH-OD1 3.21Å; Y196-P275 WeakPolarHBondContact OH-CD 3.24Å; Y196-P275 WeakPolarHBondContact OH-CG 3.35Å; Y196-V282 HydrophobicContact CD1-CG1 3.55Å; Y196-V282 HydrophobicContact CD1-CG2 4.12Å; Y196-V282 HydrophobicContact CE1-CG1 4.14Å; Y196-V282 HydrophobicContact CE1-CG2 3.83Å; Y196-V282 HydrophobicContact CG-CG1 4.48Å
197G97Very high95.9Very high4 Ų430 Ų304%0.04115%0.151CC..Hα-helixtrans-60.7-40.3176.500000112.9G194 L200 M201G194-G197 PolarHBondContact O-N 3.32Å; G197-L200 PolarHBondContact O-N 3Å; G197-M201 WeakPolarHBondContact O-CG 3.22Å; G197-M201 PolarHBondContact O-N 3.27Å
198L98.2Very high96.1Very high2 Ų228.8 Ų28.81%0.0115%0.146CC..Hα-helixtrans-59.2-49.3172.9175.863.6000111.5L176 K177 L180 L193 G194 Y196 L200 M201 I202 F228 F296L176-L198 HydrophobicContact CB-CD1 4.09Å; L176-L198 HydrophobicContact CB-CD2 3.87Å; L176-L198 HydrophobicContact CB-CG 4.4Å; K177-L198 HydrophobicContact CB-CD2 4.48Å; K177-L198 HydrophobicContact CG-CD2 3.74Å; L180-L198 HydrophobicContact CD1-CD1 4.33Å; L180-L198 HydrophobicContact CD1-CD2 3.92Å; L180-L198 HydrophobicContact CD1-CG 4.49Å; L193-L198 HydrophobicContact CD2-CB 4.11Å; L193-L198 HydrophobicContact CD2-CD1 4.05Å; L193-L198 HydrophobicContact CG-CB 4.08Å; G194-L198 PolarHBondContact O-N 3Å; Y196-L198 VanDerWaalsContact C-N 3.34Å; Y196-L198 PolarHBondContact O-N 3.47Å; L198-L200 VanDerWaalsContact C-N 3.3Å; L198-L200 PolarHBondContact O-N 3.05Å; L198-M201 WeakPolarHBondContact O-CB 3.1Å; L198-M201 PolarHBondContact O-N 3.38Å; L198-M201 VanDerWaalsContact O-N 3.14Å; L198-I202 HydrophobicContact CD1-CD1 4.29Å; L198-I202 HydrophobicContact CD1-CG1 4.43Å; L198-I202 HydrophobicContact CG-CD1 4.09Å; L198-I202 WeakPolarHBondContact O-CG1 3.45Å; L198-I202 PolarHBondContact O-N 3.46Å; L198-I202 VanDerWaalsContact O-N 3.07Å; L198-F228 HydrophobicContact CD1-CZ 4.16Å; L198-F296 HydrophobicContact CD1-CZ 4.48Å
199T97.8Very high96.3Very high0 Ų026.6 Ų26.60%013%0.132CC..Hα-helixtrans-62.4-38.4-179.8-53.80000111.5L83 L159 L169 S195 Y196 M201 I202 V203L83-T199 HydrophobicContact CD1-CG2 4.34Å; L159-T199 HydrophobicContact CD1-CG2 3.94Å; L159-T199 HydrophobicContact CD2-CG2 3.71Å; L159-T199 HydrophobicContact CG-CG2 4.35Å; L169-T199 HydrophobicContact CD1-CG2 3.93Å; L169-T199 HydrophobicContact CD2-CG2 4.4Å; L169-T199 HydrophobicContact CG-CG2 4.36Å; S195-T199 PolarHBondContact O-N 2.81Å; S195-T199 VanDerWaalsContact O-N 3.07Å; S195-T199 PolarHBondContact O-OG1 3.18Å; Y196-T199 PolarHBondContact O-N 2.88Å; T199-M201 PolarHBondContact O-N 3.23Å; T199-I202 PolarHBondContact O-N 3.32Å; T199-V203 WeakPolarHBondContact O-CG2 3.14Å; T199-V203 PolarHBondContact O-N 3.05Å
200L98.2Very high96.5Very high0 Ų022.2 Ų22.20%012%0.12CC..Hα-helixtrans-64.8-34.8174.2-64.9-177.2000113.2L159 F162 Y196 G197 L198 V203 S204 V245 I272 P275 V282L159-L200 HydrophobicContact CD2-CD2 3.95Å; F162-L200 HydrophobicContact CE2-CD2 4.43Å; Y196-L200 HydrophobicContact CD1-CD1 4.23Å; Y196-L200 HydrophobicContact CE1-CD1 3.78Å; Y196-L200 HydrophobicContact CE2-CD1 4.49Å; Y196-L200 HydrophobicContact CE2-CD2 4.49Å; Y196-L200 HydrophobicContact CE2-CG 4.48Å; Y196-L200 WeakPolarHBondContact O-CG 3.38Å; Y196-L200 PolarHBondContact O-N 3.07Å; G197-L200 PolarHBondContact O-N 3Å; L198-L200 VanDerWaalsContact C-N 3.3Å; L198-L200 PolarHBondContact O-N 3.05Å; L200-V203 PolarHBondContact O-N 2.97Å; L200-S204 WeakPolarHBondContact O-CB 3.34Å; L200-S204 PolarHBondContact O-N 3.05Å; L200-V245 HydrophobicContact CB-CG1 4.43Å; L200-V245 HydrophobicContact CD2-CG1 4.48Å; L200-V245 HydrophobicContact CD2-CG2 3.99Å; L200-I272 HydrophobicContact CB-CG2 3.87Å; L200-I272 HydrophobicContact CD1-CG2 3.72Å; L200-I272 HydrophobicContact CG-CG2 4.47Å; L200-P275 HydrophobicContact CD2-CG 4.08Å; L200-V282 HydrophobicContact CD1-CB 4.45Å; L200-V282 HydrophobicContact CD1-CG1 4.39Å; L200-V282 HydrophobicContact CD1-CG2 3.95Å
201M98.6Very high96.3Very high1 Ų120.3 Ų20.31%0.00512%0.12CC..Hα-helixtrans-64.1-39.3171.5-70.6176.566.400112.1L193 G197 L198 T199 S204 F205 F228 Y232 I243 L270 I272 F296L193-M201 HydrophobicContact CD1-SD 4.24Å; L193-M201 HydrophobicContact CD2-SD 3.59Å; L193-M201 VanDerWaalsContact CD2-SD 3.59Å; G197-M201 WeakPolarHBondContact O-CG 3.22Å; G197-M201 PolarHBondContact O-N 3.27Å; L198-M201 WeakPolarHBondContact O-CB 3.1Å; L198-M201 PolarHBondContact O-N 3.38Å; L198-M201 VanDerWaalsContact O-N 3.14Å; T199-M201 PolarHBondContact O-N 3.23Å; M201-S204 PolarHBondContact O-N 3.44Å; M201-F205 WeakPolarHBondContact O-CB 3.47Å; M201-F205 PolarHBondContact O-N 3.08Å; M201-F228 HydrophobicContact CB-CE2 4.46Å; M201-Y232 HydrophobicContact CB-CE2 4.03Å; M201-Y232 HydrophobicContact CE-CD1 3.38Å; M201-Y232 HydrophobicContact CE-CD2 3.88Å; M201-Y232 HydrophobicContact CE-CE1 3.71Å; M201-Y232 HydrophobicContact CE-CE2 4.15Å; M201-Y232 HydrophobicContact CE-CG 3.48Å; M201-Y232 VanDerWaalsContact CE-CG 3.48Å; M201-Y232 WeakPolarHBondContact O-CE2 3.17Å; M201-Y232 PolarHBondContact O-OH 3.24Å; M201-I243 HydrophobicContact CG-CD1 3.92Å; M201-L270 HydrophobicContact SD-CD1 4.27Å; M201-L270 HydrophobicContact SD-CD2 3.99Å; M201-I272 HydrophobicContact CG-CD1 3.75Å; M201-I272 HydrophobicContact SD-CD1 4.35Å; M201-F296 HydrophobicContact CE-CE2 4.23Å
202I98.6Very high96.1Very high0 Ų023 Ų230%013%0.134CC..Hα-helixtrans-68.5-42.5176.5-55.7162.5000110.4L169 L172 A173 L176 L198 T199 S204 F205 L206 F228L169-I202 HydrophobicContact CD1-CB 3.65Å; L169-I202 HydrophobicContact CD1-CG2 3.43Å; L169-I202 VanDerWaalsContact CD1-CG2 3.43Å; L172-I202 HydrophobicContact CB-CG2 3.92Å; L172-I202 HydrophobicContact CD1-CG2 4.04Å; A173-I202 HydrophobicContact CB-CD1 4.01Å; L176-I202 HydrophobicContact CB-CD1 4.32Å; L176-I202 HydrophobicContact CD1-CD1 3.58Å; L176-I202 HydrophobicContact CD1-CG1 3.66Å; L198-I202 HydrophobicContact CD1-CD1 4.29Å; L198-I202 HydrophobicContact CD1-CG1 4.43Å; L198-I202 HydrophobicContact CG-CD1 4.09Å; L198-I202 WeakPolarHBondContact O-CG1 3.45Å; L198-I202 PolarHBondContact O-N 3.46Å; L198-I202 VanDerWaalsContact O-N 3.07Å; T199-I202 PolarHBondContact O-N 3.32Å; I202-S204 VanDerWaalsContact C-N 3.34Å; I202-S204 PolarHBondContact O-N 2.86Å; I202-F205 PolarHBondContact O-N 3.49Å; I202-L206 HydrophobicContact CG2-CD1 3.94Å; I202-L206 HydrophobicContact CG2-CG 4.36Å; I202-L206 WeakPolarHBondContact O-CG 3.35Å; I202-L206 PolarHBondContact O-N 2.73Å; I202-F228 HydrophobicContact CB-CE2 4.28Å; I202-F228 HydrophobicContact CG1-CD2 4.26Å; I202-F228 HydrophobicContact CG1-CE2 3.57Å; I202-F228 HydrophobicContact CG1-CZ 4.08Å
203V98.4Very high95.9Very high0 Ų027 Ų270%015%0.154CC..Hα-helixtrans-55.3-48.9172.5169.90000110.8F162 L169 T199 L200 F205 L206 Q207 V245F162-V203 HydrophobicContact CB-CG2 3.78Å; F162-V203 HydrophobicContact CD1-CG1 3.66Å; F162-V203 HydrophobicContact CD1-CG2 4.37Å; F162-V203 HydrophobicContact CD2-CG1 4.03Å; F162-V203 HydrophobicContact CD2-CG2 3.88Å; F162-V203 HydrophobicContact CE1-CG1 3.67Å; F162-V203 HydrophobicContact CE2-CG1 4.02Å; F162-V203 HydrophobicContact CG-CG1 3.86Å; F162-V203 HydrophobicContact CG-CG2 3.78Å; F162-V203 HydrophobicContact CZ-CG1 3.85Å; L169-V203 HydrophobicContact CD1-CG2 3.93Å; L169-V203 HydrophobicContact CD2-CG2 3.55Å; L169-V203 HydrophobicContact CG-CG2 4.42Å; T199-V203 WeakPolarHBondContact O-CG2 3.14Å; T199-V203 PolarHBondContact O-N 3.05Å; L200-V203 PolarHBondContact O-N 2.97Å; V203-F205 PolarHBondContact O-N 3.44Å; V203-L206 PolarHBondContact O-N 3.45Å; V203-Q207 HydrophobicContact CG1-CG 4.26Å; V203-Q207 WeakPolarHBondContact O-CB 3.47Å; V203-Q207 WeakPolarHBondContact O-CG 3.37Å; V203-Q207 PolarHBondContact O-N 2.93Å; V203-V245 HydrophobicContact CB-CG1 4.27Å; V203-V245 HydrophobicContact CG1-CB 4.05Å; V203-V245 HydrophobicContact CG1-CG1 3.89Å
204S98.5Very high95.7Very high0 Ų027.2 Ų27.20%016%0.156CC..Hα-helixtrans-63.4-38.8178.9177.20000113.3L200 M201 I202 L208 I243 Y251L200-S204 WeakPolarHBondContact O-CB 3.34Å; L200-S204 PolarHBondContact O-N 3.05Å; M201-S204 PolarHBondContact O-N 3.44Å; I202-S204 VanDerWaalsContact C-N 3.34Å; I202-S204 PolarHBondContact O-N 2.86Å; S204-L208 WeakPolarHBondContact O-CB 3.48Å; S204-L208 PolarHBondContact O-N 3.17Å; S204-I243 VanDerWaalsContact CB-CG2 3.42Å; S204-I243 WeakPolarHBondContact OG-CG2 3.49Å; S204-Y251 VanDerWaalsContact OG-CE1 3.27Å; S204-Y251 WeakPolarHBondContact OG-CE1 3.49Å
205F98.4Very high95.7Very high4 Ų431.4 Ų31.42%0.01817%0.171CC..Hα-helixtrans-62.1-43.6173.8163.4-105.9000111.6M201 I202 V203 H209 L224 E227 F228 L231 Y232M201-F205 WeakPolarHBondContact O-CB 3.47Å; M201-F205 PolarHBondContact O-N 3.08Å; I202-F205 PolarHBondContact O-N 3.49Å; V203-F205 PolarHBondContact O-N 3.44Å; F205-H209 AromaticContact CE2-CD2 3.83Å; F205-H209 AromaticContact CZ-CD2 3.68Å; F205-H209 WeakPolarHBondContact O-CB 3.43Å; F205-H209 PolarHBondContact O-N 3.48Å; F205-H209 VanDerWaalsContact O-N 3.15Å; F205-L224 HydrophobicContact CE1-CB 4.19Å; F205-L224 HydrophobicContact CE1-CD2 3.97Å; F205-L224 WeakPolarHBondContact CE1-O 3.28Å; F205-L224 HydrophobicContact CZ-CB 4.49Å; F205-L224 HydrophobicContact CZ-CD2 4.1Å; F205-L224 VanDerWaalsContact CZ-O 3.27Å; F205-L224 WeakPolarHBondContact CZ-O 3.45Å; F205-E227 HydrophobicContact CE2-CB 4.03Å; F205-E227 HydrophobicContact CZ-CB 3.97Å; F205-F228 HydrophobicContact CB-CD2 4.02Å; F205-F228 HydrophobicContact CD1-CB 4.2Å; F205-F228 AromaticContact CD1-CD2 3.98Å; F205-F228 HydrophobicContact CD1-CD2 3.98Å; F205-F228 HydrophobicContact CD2-CB 4.48Å; F205-F228 HydrophobicContact CE1-CB 4.06Å; F205-F228 HydrophobicContact CE2-CB 4.34Å; F205-F228 HydrophobicContact CG-CB 4.41Å; F205-F228 AromaticContact CG-CD2 3.96Å; F205-F228 HydrophobicContact CG-CD2 3.96Å; F205-F228 HydrophobicContact CZ-CB 4.13Å; F205-L231 HydrophobicContact CB-CD2 4.41Å; F205-L231 HydrophobicContact CD2-CD2 3.81Å; F205-Y232 HydrophobicContact CB-CE2 3.97Å
206L98.1Very high95.6Very high0 Ų035 Ų350%018%0.178CC..Hα-helixtrans-71-38.5179.2-65.5170.6000112.2Y166 P168 L169 L172 I202 V203 H209 T214 L224Y166-L206 HydrophobicContact CD1-CB 4.14Å; Y166-L206 HydrophobicContact CG-CB 4.27Å; P168-L206 HydrophobicContact CG-CD1 4.16Å; P168-L206 HydrophobicContact CG-CD2 3.87Å; L169-L206 HydrophobicContact CB-CD1 3.83Å; L169-L206 HydrophobicContact CD1-CD1 4.22Å; L172-L206 HydrophobicContact CD1-CD1 4.42Å; L172-L206 HydrophobicContact CD1-CD2 4.14Å; I202-L206 HydrophobicContact CG2-CD1 3.94Å; I202-L206 HydrophobicContact CG2-CG 4.36Å; I202-L206 WeakPolarHBondContact O-CG 3.35Å; I202-L206 PolarHBondContact O-N 2.73Å; V203-L206 PolarHBondContact O-N 3.45Å; L206-H209 WeakPolarHBondContact O-CB 3.35Å; L206-T214 HydrophobicContact CB-CG2 4.24Å; L206-T214 HydrophobicContact CD2-CG2 3.84Å; L206-T214 WeakPolarHBondContact O-CB 3.45Å; L206-T214 WeakPolarHBondContact O-CG2 3.34Å; L206-T214 PolarHBondContact O-OG1 3.12Å; L206-L224 HydrophobicContact CD2-CD1 4.41Å; L206-L224 HydrophobicContact CD2-CD2 4.29Å
207Q97.3Very high95.2Very high29 Ų2939 Ų3914%0.13620%0.203CC..Hα-helixtrans-61.4-43174.7-84.6175.8-30.500113.5Y166 V203 V245 G248 G249Y166-Q207 HydrophobicContact CE2-CG 3.9Å; Y166-Q207 VanDerWaalsContact OH-CG 3.25Å; Y166-Q207 WeakPolarHBondContact OH-CG 3.43Å; V203-Q207 HydrophobicContact CG1-CG 4.26Å; V203-Q207 WeakPolarHBondContact O-CB 3.47Å; V203-Q207 WeakPolarHBondContact O-CG 3.37Å; V203-Q207 PolarHBondContact O-N 2.93Å; Q207-V245 PolarHBondContact NE2-O 3.31Å; Q207-G248 WeakPolarHBondContact CB-O 3.24Å; Q207-G248 WeakPolarHBondContact CG-O 2.97Å; Q207-G249 VanDerWaalsContact OE1-CA 3.27Å
208L96.8Very high94.9Very high62 Ų6243.6 Ų43.633%0.32523%0.227SC..THydrogen-bonded Turntrans-101.215.8-173-60.2174.5000112.7S204 Y251S204-L208 WeakPolarHBondContact O-CB 3.48Å; S204-L208 PolarHBondContact O-N 3.17Å; L208-Y251 HydrophobicContact CD1-CD1 3.79Å; L208-Y251 HydrophobicContact CD1-CD2 3.85Å; L208-Y251 HydrophobicContact CD1-CE1 3.58Å; L208-Y251 HydrophobicContact CD1-CE2 3.64Å; L208-Y251 HydrophobicContact CD1-CG 3.9Å; L208-Y251 VanDerWaalsContact CD1-CZ 3.47Å
209H96.5Very high94.7Very high19 Ų1944.2 Ų44.29%0.08823%0.23CC..  trans-65.8122.7-179.7-163.2-78000110.7F205 L206 T211 L212 T214 E227F205-H209 AromaticContact CE2-CD2 3.83Å; F205-H209 AromaticContact CZ-CD2 3.68Å; F205-H209 WeakPolarHBondContact O-CB 3.43Å; F205-H209 PolarHBondContact O-N 3.48Å; F205-H209 VanDerWaalsContact O-N 3.15Å; L206-H209 WeakPolarHBondContact O-CB 3.35Å; H209-T211 PolarHBondContact CE1-OG1 3.42Å; H209-T211 VanDerWaalsContact CE1-OG1 3.32Å; H209-T211 PolarHBondContact O-N 2.85Å; H209-L212 WeakPolarHBondContact ND1-CB 3.43Å; H209-L212 PolarHBondContact ND1-N 3.1Å; H209-L212 VanDerWaalsContact ND1-N 3.17Å; H209-T214 HydrophobicContact CB-CG2 3.62Å; H209-E227 IonicContact CE1-OE2 3.7Å; H209-E227 IonicContact NE2-OE2 2.62Å; H209-E227 PolarHBondContact NE2-OE2 3.11Å; H209-E227 VanDerWaalsContact NE2-OE2 3.07Å
210P90.7Very high94.6Very high77 Ų7746.2 Ų46.250%0.524%0.24SC..SBendtrans-82.7-15.7-163.528.8-34000115.5Y513P210-Y513 HydrophobicContact CG-CD2 3.54Å; P210-Y513 HydrophobicContact CG-CE2 3.44Å; P210-Y513 VanDerWaalsContact CG-CE2 3.44Å; P210-Y513 HydrophobicContact CG-CG 4.31Å
211T88.1Confident94.5Very high101 Ų10146.5 Ų46.562%0.6224%0.242SC*.SBendtrans-129.7-41.8-167.2530000114.4H209H209-T211 PolarHBondContact CE1-OG1 3.42Å; H209-T211 VanDerWaalsContact CE1-OG1 3.32Å; H209-T211 PolarHBondContact O-N 2.85Å
212L89.4Confident94.5Very high59 Ų5946.5 Ų46.531%0.30924%0.242SC..SBendtrans-86.4137.5175.6-57.7173.2000111.5H209 T214 L219 V223 L224H209-L212 WeakPolarHBondContact ND1-CB 3.43Å; H209-L212 PolarHBondContact ND1-N 3.1Å; H209-L212 VanDerWaalsContact ND1-N 3.17Å; L212-T214 PolarHBondContact O-N 2.96Å; L212-L219 HydrophobicContact CB-CD2 4.27Å; L212-L219 HydrophobicContact CD1-CD2 4.47Å; L212-L219 HydrophobicContact CD2-CD2 4.37Å; L212-V223 HydrophobicContact CD1-CG1 4.33Å; L212-L224 HydrophobicContact CD1-CD2 3.8Å; L212-L224 HydrophobicContact CD1-CG 4.42Å
213D92.8Very high94.4Very high88 Ų8848.1 Ų48.147%0.47125%0.252SS..  trans-75.3104.6162.8171.714.5000108.9H215 R216 L219D213-H215 PolarHBondContact O-N 3.45Å; D213-H215 WeakPolarHBondContact OD1-CB 3.35Å; D213-H215 IonicContact OD1-CD2 3.1Å; D213-H215 PolarHBondContact OD1-CD2 3.12Å; D213-H215 VanDerWaalsContact OD1-CD2 3.31Å; D213-H215 IonicContact OD1-CG 3.79Å; D213-H215 PolarHBondContact OD1-N 3.41Å; D213-R216 HydrophobicContact CB-CG 4.46Å; D213-R216 PolarHBondContact O-N 3.21Å; D213-L219 WeakPolarHBondContact O-CD1 3.39Å
214T93.1Very high94.3Very high9 Ų948.1 Ų48.16%0.05525%0.252CS..THydrogen-bonded Turntrans-80.80.6-172.353.10000114.3Y166 L206 H209 L212 R216Y166-T214 WeakPolarHBondContact CE1-OG1 3.49Å; L206-T214 HydrophobicContact CB-CG2 4.24Å; L206-T214 HydrophobicContact CD2-CG2 3.84Å; L206-T214 WeakPolarHBondContact O-CB 3.45Å; L206-T214 WeakPolarHBondContact O-CG2 3.34Å; L206-T214 PolarHBondContact O-OG1 3.12Å; H209-T214 HydrophobicContact CB-CG2 3.62Å; L212-T214 PolarHBondContact O-N 2.96Å; T214-R216 VanDerWaalsContact C-N 3.26Å
215H93.3Very high94.3Very high104 Ų10448.1 Ų48.148%0.48125%0.252SS..THydrogen-bonded Turntrans-78.7-9.1171.5-61.1-63.5000113.2I165 Y166 P167 D213I165-H215 VanDerWaalsContact CG2-CE1 3.45Å; I165-H215 WeakPolarHBondContact CG2-CE1 3.39Å; I165-H215 PolarHBondContact O-ND1 3.09Å; Y166-H215 AromaticContact CD1-ND1 3.98Å; Y166-H215 AromaticContact CE1-CE1 3.35Å; Y166-H215 WeakPolarHBondContact CE1-CE1 3.43Å; Y166-H215 AromaticContact CE1-ND1 3.72Å; Y166-H215 AromaticContact CZ-CE1 3.81Å; P167-H215 WeakPolarHBondContact CD-O 3.28Å; P167-H215 WeakPolarHBondContact CG-O 3.49Å; D213-H215 PolarHBondContact O-N 3.45Å; D213-H215 WeakPolarHBondContact OD1-CB 3.35Å; D213-H215 IonicContact OD1-CD2 3.1Å; D213-H215 PolarHBondContact OD1-CD2 3.12Å; D213-H215 VanDerWaalsContact OD1-CD2 3.31Å; D213-H215 IonicContact OD1-CG 3.79Å; D213-H215 PolarHBondContact OD1-N 3.41Å
216R92Very high94.3Very high120 Ų12048.6 Ų48.645%0.45326%0.255SS..  trans-83.6152.4179.8-64.5168.660149.20112.8D213 T214 D218 L219D213-R216 HydrophobicContact CB-CG 4.46Å; D213-R216 PolarHBondContact O-N 3.21Å; T214-R216 VanDerWaalsContact C-N 3.26Å; R216-D218 IonicContact CZ-OD1 3.76Å; R216-D218 VanDerWaalsContact CZ-OD1 3.29Å; R216-D218 IonicContact CZ-OD2 2.73Å; R216-D218 IonicContact NE-OD1 3.61Å; R216-D218 PolarHBondContact NE-OD1 3.18Å; R216-D218 IonicContact NE-OD2 3.61Å; R216-D218 IonicContact NH2-OD1 2.61Å; R216-D218 PolarHBondContact NH2-OD1 3.42Å; R216-D218 IonicContact NH2-OD2 3.81Å; R216-D218 PolarHBondContact NH2-OD2 2.82Å; R216-L219 HydrophobicContact CB-CD1 4.28Å; R216-L219 HydrophobicContact CB-CD2 4.23Å; R216-L219 HydrophobicContact CB-CG 4.01Å; R216-L219 WeakPolarHBondContact O-CD1 3.43Å
217D87.7Confident94.3Very high139 Ų13950.3 Ų50.374%0.74326%0.263SS*.SBendtrans-94.8-19.8176.762.7-21.4000113.9P167 L219P167-D217 HydrophobicContact CB-CB 4.04Å; P167-D217 HydrophobicContact CG-CB 4.34Å; D217-L219 VanDerWaalsContact C-N 3.28Å; D217-L219 PolarHBondContact O-N 3.16Å
218D90.8Very high94.4Very high102 Ų10248.9 Ų48.955%0.54526%0.256SS..SBendtrans-86.118.8-177.776.3-30.3000115.1R216R216-D218 IonicContact CZ-OD1 3.76Å; R216-D218 VanDerWaalsContact CZ-OD1 3.29Å; R216-D218 IonicContact CZ-OD2 2.73Å; R216-D218 IonicContact NE-OD1 3.61Å; R216-D218 PolarHBondContact NE-OD1 3.18Å; R216-D218 IonicContact NE-OD2 3.61Å; R216-D218 IonicContact NH2-OD1 2.61Å; R216-D218 PolarHBondContact NH2-OD1 3.42Å; R216-D218 IonicContact NH2-OD2 3.81Å; R216-D218 PolarHBondContact NH2-OD2 2.82Å
219L94.2Very high94.4Very high15 Ų1546 Ų468%0.07924%0.241CC..  trans-79.5138-176.1-61171.1000112.4P168 L212 D213 R216 D217 L221 L224P168-L219 HydrophobicContact CG-CD1 4.11Å; L212-L219 HydrophobicContact CB-CD2 4.27Å; L212-L219 HydrophobicContact CD1-CD2 4.47Å; L212-L219 HydrophobicContact CD2-CD2 4.37Å; D213-L219 WeakPolarHBondContact O-CD1 3.39Å; R216-L219 HydrophobicContact CB-CD1 4.28Å; R216-L219 HydrophobicContact CB-CD2 4.23Å; R216-L219 HydrophobicContact CB-CG 4.01Å; R216-L219 WeakPolarHBondContact O-CD1 3.43Å; D217-L219 VanDerWaalsContact C-N 3.28Å; D217-L219 PolarHBondContact O-N 3.16Å; L219-L221 PolarHBondContact O-N 3.1Å; L219-L221 VanDerWaalsContact O-N 3.11Å; L219-L224 HydrophobicContact CB-CD1 4.02Å; L219-L224 HydrophobicContact CD1-CD1 4.38Å
220N96.1Very high94.5Very high41 Ų4147.1 Ų47.122%0.21925%0.246CC..  trans-69.6109.6176.1-177.3-67.2000110.6L29 H33 G222 V223 L224L29-N220 PolarHBondContact O-ND2 3.43Å; L29-N220 PolarHBondContact O-OD1 3.46Å; H33-N220 WeakPolarHBondContact CB-ND2 3.46Å; N220-G222 PolarHBondContact O-N 3.35Å; N220-G222 VanDerWaalsContact OD1-CA 3.3Å; N220-G222 WeakPolarHBondContact OD1-CA 3.46Å; N220-G222 PolarHBondContact OD1-N 3.11Å; N220-V223 HydrophobicContact CB-CB 4.42Å; N220-V223 HydrophobicContact CB-CG2 4.09Å; N220-V223 PolarHBondContact O-N 2.83Å; N220-V223 PolarHBondContact OD1-N 2.92Å; N220-L224 PolarHBondContact O-N 3.45Å
221L96.4Very high94.9Very high7 Ų744.4 Ų44.44%0.03723%0.227CC..Hα-helixtrans-63.4-27.9-180-60.8172.9000113.4H33 L36 E37 P168 K171 L219 L224 L225H33-L221 PolarHBondContact ND1-N 3.48Å; L36-L221 HydrophobicContact CB-CB 4.27Å; L36-L221 HydrophobicContact CB-CD1 4.21Å; L36-L221 HydrophobicContact CD1-CB 3.84Å; E37-L221 HydrophobicContact CG-CD1 4.44Å; E37-L221 VanDerWaalsContact OE1-CD1 3.3Å; E37-L221 WeakPolarHBondContact OE1-CD1 3.31Å; P168-L221 HydrophobicContact CB-CD2 3.99Å; K171-L221 HydrophobicContact CB-CD1 4.11Å; K171-L221 HydrophobicContact CB-CD2 4.22Å; K171-L221 HydrophobicContact CD-CD1 3.63Å; K171-L221 HydrophobicContact CD-CD2 4.41Å; L219-L221 PolarHBondContact O-N 3.1Å; L219-L221 VanDerWaalsContact O-N 3.11Å; L221-L224 PolarHBondContact O-N 2.99Å; L221-L225 VanDerWaalsContact O-CB 3.25Å; L221-L225 WeakPolarHBondContact O-CB 3.32Å; L221-L225 PolarHBondContact O-N 2.95Å
222G96.6Very high95.4Very high0 Ų039.6 Ų39.60%020%0.198CC..Hα-helixtrans-65.9-43.5178.200000112N220 L225 V226N220-G222 PolarHBondContact O-N 3.35Å; N220-G222 VanDerWaalsContact OD1-CA 3.3Å; N220-G222 WeakPolarHBondContact OD1-CA 3.46Å; N220-G222 PolarHBondContact OD1-N 3.11Å; G222-L225 PolarHBondContact O-N 3.25Å; G222-V226 WeakPolarHBondContact O-CG2 3.45Å; G222-V226 PolarHBondContact O-N 3.03Å; G222-V226 VanDerWaalsContact O-N 3.09Å
223V96.8Very high95.8Very high35 Ų3536.8 Ų36.821%0.21218%0.184CC..Hα-helixtrans-58-56171.7173.50000109.9L29 L212 N220 L225 V226 E227L29-V223 HydrophobicContact CB-CG2 4.48Å; L29-V223 HydrophobicContact CD1-CG2 4.05Å; L29-V223 HydrophobicContact CD2-CG2 4.41Å; L212-V223 HydrophobicContact CD1-CG1 4.33Å; N220-V223 HydrophobicContact CB-CB 4.42Å; N220-V223 HydrophobicContact CB-CG2 4.09Å; N220-V223 PolarHBondContact O-N 2.83Å; N220-V223 PolarHBondContact OD1-N 2.92Å; V223-L225 VanDerWaalsContact C-N 3.28Å; V223-L225 PolarHBondContact O-N 3.37Å; V223-V226 PolarHBondContact O-N 3.32Å; V223-E227 HydrophobicContact CG1-CG 4.34Å; V223-E227 WeakPolarHBondContact CG1-OE2 3.47Å; V223-E227 WeakPolarHBondContact O-CB 3.38Å; V223-E227 WeakPolarHBondContact O-CG 3.4Å; V223-E227 PolarHBondContact O-N 2.81Å
224L97.8Very high96.1Very high0 Ų038 Ų380%018%0.182CC..Hα-helixtrans-59.3-36.5-177.6-67.8174.8000112.8P168 L172 F205 L206 L212 L219 N220 L221 F228P168-L224 HydrophobicContact CB-CD1 3.71Å; P168-L224 HydrophobicContact CG-CD1 3.96Å; L172-L224 HydrophobicContact CD1-CB 4.1Å; L172-L224 HydrophobicContact CD1-CD1 4.3Å; L172-L224 HydrophobicContact CD2-CB 4.23Å; F205-L224 HydrophobicContact CE1-CB 4.19Å; F205-L224 HydrophobicContact CE1-CD2 3.97Å; F205-L224 WeakPolarHBondContact CE1-O 3.28Å; F205-L224 HydrophobicContact CZ-CB 4.49Å; F205-L224 HydrophobicContact CZ-CD2 4.1Å; F205-L224 VanDerWaalsContact CZ-O 3.27Å; F205-L224 WeakPolarHBondContact CZ-O 3.45Å; L206-L224 HydrophobicContact CD2-CD1 4.41Å; L206-L224 HydrophobicContact CD2-CD2 4.29Å; L212-L224 HydrophobicContact CD1-CD2 3.8Å; L212-L224 HydrophobicContact CD1-CG 4.42Å; L219-L224 HydrophobicContact CB-CD1 4.02Å; L219-L224 HydrophobicContact CD1-CD1 4.38Å; N220-L224 PolarHBondContact O-N 3.45Å; L221-L224 PolarHBondContact O-N 2.99Å; L224-F228 WeakPolarHBondContact O-CB 3.27Å; L224-F228 PolarHBondContact O-N 3.07Å
225L98.2Very high96.3Very high0 Ų042.5 Ų42.50%020%0.202CC..Hα-helixtrans-70-45.9178.2-177.865.1000112.2L36 L172 V175 L176 L221 G222 V223 F228 F229 L322L36-L225 HydrophobicContact CD1-CB 4.3Å; L36-L225 HydrophobicContact CD1-CD2 3.86Å; L36-L225 HydrophobicContact CD2-CD2 3.82Å; L36-L225 HydrophobicContact CG-CD2 4.4Å; L172-L225 HydrophobicContact CD2-CB 4.34Å; V175-L225 HydrophobicContact CG1-CD1 3.85Å; V175-L225 HydrophobicContact CG1-CD2 3.98Å; L176-L225 HydrophobicContact CD2-CD1 3.87Å; L176-L225 HydrophobicContact CG-CD1 4.17Å; L221-L225 VanDerWaalsContact O-CB 3.25Å; L221-L225 WeakPolarHBondContact O-CB 3.32Å; L221-L225 PolarHBondContact O-N 2.95Å; G222-L225 PolarHBondContact O-N 3.25Å; V223-L225 VanDerWaalsContact C-N 3.28Å; V223-L225 PolarHBondContact O-N 3.37Å; L225-F228 PolarHBondContact O-N 3.06Å; L225-F229 HydrophobicContact CD1-CD2 4.18Å; L225-F229 HydrophobicContact CD1-CE1 4.49Å; L225-F229 HydrophobicContact CD1-CE2 3.56Å; L225-F229 HydrophobicContact CD1-CZ 3.75Å; L225-F229 HydrophobicContact CD2-CE2 4.08Å; L225-F229 HydrophobicContact CG-CD2 4Å; L225-F229 HydrophobicContact CG-CE2 3.57Å; L225-F229 HydrophobicContact CG-CZ 4.27Å; L225-F229 VanDerWaalsContact O-CD2 3.23Å; L225-F229 WeakPolarHBondContact O-CD2 3.13Å; L225-F229 WeakPolarHBondContact O-CG 3.33Å; L225-F229 PolarHBondContact O-N 3.41Å; L225-L322 HydrophobicContact CD2-CD1 4.19Å
226V97.8Very high96.5Very high13 Ų1338.2 Ų38.28%0.07918%0.182CC..Hα-helixtrans-64.1-44.8177.7172.50000110.3L29 L32 G222 V223 F229 E230 Y300 L303 T304 L307L29-V226 HydrophobicContact CD2-CG2 4.22Å; L32-V226 HydrophobicContact CD2-CG2 4.02Å; G222-V226 WeakPolarHBondContact O-CG2 3.45Å; G222-V226 PolarHBondContact O-N 3.03Å; G222-V226 VanDerWaalsContact O-N 3.09Å; V223-V226 PolarHBondContact O-N 3.32Å; V226-F229 PolarHBondContact O-N 2.96Å; V226-E230 PolarHBondContact O-N 2.99Å; V226-Y300 HydrophobicContact CG1-CD2 4.01Å; V226-Y300 HydrophobicContact CG1-CE2 4.06Å; V226-L303 HydrophobicContact CG2-CB 4.17Å; V226-L303 HydrophobicContact CG2-CD1 3.98Å; V226-T304 HydrophobicContact CG1-CG2 4.12Å; V226-L307 HydrophobicContact CG2-CD1 4.07Å
227E98Very high96.7Very high36 Ų3635.8 Ų35.817%0.16818%0.178CC..Hα-helixtrans-67.7-34.5179.1-72.4178.2165.800112.5F205 H209 V223 E230 L231 Y513F205-E227 HydrophobicContact CE2-CB 4.03Å; F205-E227 HydrophobicContact CZ-CB 3.97Å; H209-E227 IonicContact CE1-OE2 3.7Å; H209-E227 IonicContact NE2-OE2 2.62Å; H209-E227 PolarHBondContact NE2-OE2 3.11Å; H209-E227 VanDerWaalsContact NE2-OE2 3.07Å; V223-E227 HydrophobicContact CG1-CG 4.34Å; V223-E227 WeakPolarHBondContact CG1-OE2 3.47Å; V223-E227 WeakPolarHBondContact O-CB 3.38Å; V223-E227 WeakPolarHBondContact O-CG 3.4Å; V223-E227 PolarHBondContact O-N 2.81Å; E227-E230 PolarHBondContact O-N 3.5Å; E227-L231 WeakPolarHBondContact O-CB 3.49Å; E227-L231 PolarHBondContact O-N 3.18Å; E227-Y513 WeakPolarHBondContact CB-OH 3.4Å; E227-Y513 HydrophobicContact CG-CE1 4.06Å; E227-Y513 WeakPolarHBondContact OE1-CE1 3.09Å
228F98.5Very high97.2Very high0 Ų029.6 Ų29.60%014%0.144CC..Hα-helixtrans-61.9-46.6170.2176.6-82.9000111.6L176 L198 M201 I202 F205 L224 L225 E230 L231 Y232 F296L176-F228 HydrophobicContact CD1-CD1 3.66Å; L176-F228 HydrophobicContact CD1-CD2 4.1Å; L176-F228 HydrophobicContact CD1-CE1 3.53Å; L176-F228 HydrophobicContact CD1-CE2 3.95Å; L176-F228 HydrophobicContact CD1-CG 3.98Å; L176-F228 HydrophobicContact CD1-CZ 3.68Å; L176-F228 HydrophobicContact CD2-CD1 3.77Å; L176-F228 HydrophobicContact CD2-CE1 3.65Å; L176-F228 HydrophobicContact CG-CD1 4.39Å; L176-F228 HydrophobicContact CG-CE1 4.23Å; L198-F228 HydrophobicContact CD1-CZ 4.16Å; M201-F228 HydrophobicContact CB-CE2 4.46Å; I202-F228 HydrophobicContact CB-CE2 4.28Å; I202-F228 HydrophobicContact CG1-CD2 4.26Å; I202-F228 HydrophobicContact CG1-CE2 3.57Å; I202-F228 HydrophobicContact CG1-CZ 4.08Å; F205-F228 HydrophobicContact CB-CD2 4.02Å; F205-F228 HydrophobicContact CD1-CB 4.2Å; F205-F228 AromaticContact CD1-CD2 3.98Å; F205-F228 HydrophobicContact CD1-CD2 3.98Å; F205-F228 HydrophobicContact CD2-CB 4.48Å; F205-F228 HydrophobicContact CE1-CB 4.06Å; F205-F228 HydrophobicContact CE2-CB 4.34Å; F205-F228 HydrophobicContact CG-CB 4.41Å; F205-F228 AromaticContact CG-CD2 3.96Å; F205-F228 HydrophobicContact CG-CD2 3.96Å; F205-F228 HydrophobicContact CZ-CB 4.13Å; L224-F228 WeakPolarHBondContact O-CB 3.27Å; L224-F228 PolarHBondContact O-N 3.07Å; L225-F228 PolarHBondContact O-N 3.06Å; F228-E230 VanDerWaalsContact C-N 3.31Å; F228-E230 PolarHBondContact O-N 3Å; F228-L231 PolarHBondContact O-N 3.16Å; F228-Y232 HydrophobicContact CD1-CD2 4.34Å; F228-Y232 AromaticContact CD2-CD2 3.73Å; F228-Y232 HydrophobicContact CD2-CD2 3.73Å; F228-Y232 AromaticContact CD2-CE2 3.79Å; F228-Y232 HydrophobicContact CD2-CE2 3.79Å; F228-Y232 HydrophobicContact CE1-CD2 4.04Å; F228-Y232 AromaticContact CE2-CD2 3.4Å; F228-Y232 HydrophobicContact CE2-CD2 3.4Å; F228-Y232 AromaticContact CE2-CE2 3.4Å; F228-Y232 HydrophobicContact CE2-CE2 3.4Å; F228-Y232 HydrophobicContact CG-CD2 4.19Å; F228-Y232 AromaticContact CZ-CD2 3.56Å; F228-Y232 HydrophobicContact CZ-CD2 3.56Å; F228-Y232 AromaticContact CZ-CE2 3.98Å; F228-Y232 HydrophobicContact CZ-CE2 3.98Å; F228-Y232 PolarHBondContact O-N 3.13Å; F228-Y232 VanDerWaalsContact O-N 3.08Å; F228-F296 HydrophobicContact CE1-CE1 4.11Å; F228-F296 HydrophobicContact CE1-CE2 4.19Å; F228-F296 AromaticContact CE1-CZ 3.94Å; F228-F296 HydrophobicContact CE1-CZ 3.94Å; F228-F296 HydrophobicContact CZ-CZ 4.37Å
229F98.6Very high97.4Very high0 Ų029.3 Ų29.30%015%0.146CC..Hα-helixtrans-65.5-34176.2-70.7-43.4000112.1L176 F179 L225 V226 G233 F296 A299 L303L176-F229 HydrophobicContact CD2-CD1 4.25Å; L176-F229 HydrophobicContact CD2-CE1 3.42Å; L176-F229 VanDerWaalsContact CD2-CE1 3.42Å; L176-F229 HydrophobicContact CD2-CZ 3.75Å; F179-F229 HydrophobicContact CD1-CE1 4.15Å; F179-F229 HydrophobicContact CD2-CE1 4.11Å; F179-F229 AromaticContact CD2-CZ 3.72Å; F179-F229 HydrophobicContact CD2-CZ 3.72Å; F179-F229 HydrophobicContact CE1-CE1 4.06Å; F179-F229 AromaticContact CE2-CE1 3.99Å; F179-F229 HydrophobicContact CE2-CE1 3.99Å; F179-F229 AromaticContact CE2-CZ 3.81Å; F179-F229 HydrophobicContact CE2-CZ 3.81Å; F179-F229 HydrophobicContact CG-CE1 4.2Å; F179-F229 HydrophobicContact CG-CZ 4.11Å; F179-F229 AromaticContact CZ-CE1 3.98Å; F179-F229 HydrophobicContact CZ-CE1 3.98Å; F179-F229 HydrophobicContact CZ-CZ 4.28Å; L225-F229 HydrophobicContact CD1-CD2 4.18Å; L225-F229 HydrophobicContact CD1-CE1 4.49Å; L225-F229 HydrophobicContact CD1-CE2 3.56Å; L225-F229 HydrophobicContact CD1-CZ 3.75Å; L225-F229 HydrophobicContact CD2-CE2 4.08Å; L225-F229 HydrophobicContact CG-CD2 4Å; L225-F229 HydrophobicContact CG-CE2 3.57Å; L225-F229 HydrophobicContact CG-CZ 4.27Å; L225-F229 VanDerWaalsContact O-CD2 3.23Å; L225-F229 WeakPolarHBondContact O-CD2 3.13Å; L225-F229 WeakPolarHBondContact O-CG 3.33Å; L225-F229 PolarHBondContact O-N 3.41Å; V226-F229 PolarHBondContact O-N 2.96Å; F229-G233 WeakPolarHBondContact O-CA 3.48Å; F229-G233 PolarHBondContact O-N 3.34Å; F229-F296 HydrophobicContact CD1-CB 4Å; F229-F296 AromaticContact CD1-CD1 3.63Å; F229-F296 HydrophobicContact CD1-CD1 3.63Å; F229-F296 HydrophobicContact CD1-CE1 4.45Å; F229-F296 HydrophobicContact CD1-CG 4.09Å; F229-F296 AromaticContact CE1-CD1 3.67Å; F229-F296 HydrophobicContact CE1-CD1 3.67Å; F229-F296 HydrophobicContact CE1-CE1 4.2Å; F229-A299 HydrophobicContact CD1-CB 3.95Å; F229-A299 HydrophobicContact CD2-CB 3.76Å; F229-A299 HydrophobicContact CE1-CB 3.92Å; F229-A299 HydrophobicContact CE2-CB 3.73Å; F229-A299 HydrophobicContact CG-CB 3.88Å; F229-A299 HydrophobicContact CZ-CB 3.81Å; F229-L303 HydrophobicContact CD2-CD1 4.01Å; F229-L303 HydrophobicContact CE2-CD1 4.03Å
230E98.3Very high97.5Very high43 Ų4335.5 Ų35.520%0.20117%0.172CC..Hα-helixtrans-63.7-53.1173.6-161.8-177.8161.800111.2V226 E227 F228 R234 H235 Y300V226-E230 PolarHBondContact O-N 2.99Å; E227-E230 PolarHBondContact O-N 3.5Å; F228-E230 VanDerWaalsContact C-N 3.31Å; F228-E230 PolarHBondContact O-N 3Å; E230-R234 WeakPolarHBondContact O-CA 3.4Å; E230-R234 VanDerWaalsContact O-CB 3.29Å; E230-R234 WeakPolarHBondContact O-CB 3.39Å; E230-R234 PolarHBondContact O-N 3.03Å; E230-H235 WeakPolarHBondContact CG-NE2 3.49Å; E230-H235 PolarHBondContact O-N 2.83Å; E230-H235 IonicContact OE1-CD2 2.99Å; E230-H235 IonicContact OE1-CE1 3.72Å; E230-H235 IonicContact OE1-NE2 2.72Å; E230-H235 PolarHBondContact OE1-NE2 3.01Å; E230-Y300 HydrophobicContact CB-CD2 3.45Å; E230-Y300 VanDerWaalsContact CB-CD2 3.45Å; E230-Y300 HydrophobicContact CB-CE2 3.36Å; E230-Y300 HydrophobicContact CB-CG 4.32Å; E230-Y300 HydrophobicContact CG-CD2 3.82Å; E230-Y300 HydrophobicContact CG-CE1 4.38Å; E230-Y300 HydrophobicContact CG-CE2 3.33Å; E230-Y300 HydrophobicContact CG-CG 4.49Å
231L98.4Very high97.6Very high20 Ų2035 Ų3511%0.10517%0.171CC..Iπ-helixtrans-58.9-58.1-176.6175.961.7000111.1F205 E227 F228 H235 F236F205-L231 HydrophobicContact CB-CD2 4.41Å; F205-L231 HydrophobicContact CD2-CD2 3.81Å; E227-L231 WeakPolarHBondContact O-CB 3.49Å; E227-L231 PolarHBondContact O-N 3.18Å; F228-L231 PolarHBondContact O-N 3.16Å; L231-H235 HydrophobicContact CD1-CB 4.42Å; L231-H235 PolarHBondContact O-N 3.5Å; L231-F236 WeakPolarHBondContact O-CB 3.23Å; L231-F236 PolarHBondContact O-N 3.28Å
232Y98.6Very high97.7Very high0 Ų034.6 Ų34.60%017%0.169CC..Iπ-helixtrans-83.6-19.7-175.1-66.9-60.3000113.6M201 F205 F228 F236 Y238 I243M201-Y232 HydrophobicContact CB-CE2 4.03Å; M201-Y232 HydrophobicContact CE-CD1 3.38Å; M201-Y232 HydrophobicContact CE-CD2 3.88Å; M201-Y232 HydrophobicContact CE-CE1 3.71Å; M201-Y232 HydrophobicContact CE-CE2 4.15Å; M201-Y232 HydrophobicContact CE-CG 3.48Å; M201-Y232 VanDerWaalsContact CE-CG 3.48Å; M201-Y232 WeakPolarHBondContact O-CE2 3.17Å; M201-Y232 PolarHBondContact O-OH 3.24Å; F205-Y232 HydrophobicContact CB-CE2 3.97Å; F228-Y232 HydrophobicContact CD1-CD2 4.34Å; F228-Y232 AromaticContact CD2-CD2 3.73Å; F228-Y232 HydrophobicContact CD2-CD2 3.73Å; F228-Y232 AromaticContact CD2-CE2 3.79Å; F228-Y232 HydrophobicContact CD2-CE2 3.79Å; F228-Y232 HydrophobicContact CE1-CD2 4.04Å; F228-Y232 AromaticContact CE2-CD2 3.4Å; F228-Y232 HydrophobicContact CE2-CD2 3.4Å; F228-Y232 AromaticContact CE2-CE2 3.4Å; F228-Y232 HydrophobicContact CE2-CE2 3.4Å; F228-Y232 HydrophobicContact CG-CD2 4.19Å; F228-Y232 AromaticContact CZ-CD2 3.56Å; F228-Y232 HydrophobicContact CZ-CD2 3.56Å; F228-Y232 AromaticContact CZ-CE2 3.98Å; F228-Y232 HydrophobicContact CZ-CE2 3.98Å; F228-Y232 PolarHBondContact O-N 3.13Å; F228-Y232 VanDerWaalsContact O-N 3.08Å; Y232-F236 HydrophobicContact CD1-CB 3.77Å; Y232-F236 HydrophobicContact CD1-CD1 4.27Å; Y232-F236 HydrophobicContact CD1-CD2 4.08Å; Y232-F236 AromaticContact CD1-CG 3.76Å; Y232-F236 HydrophobicContact CD1-CG 3.76Å; Y232-F236 HydrophobicContact CE1-CB 4.29Å; Y232-F236 HydrophobicContact CE1-CD1 4.47Å; Y232-F236 AromaticContact CE1-CD2 3.74Å; Y232-F236 HydrophobicContact CE1-CD2 3.74Å; Y232-F236 HydrophobicContact CE1-CE2 4.2Å; Y232-F236 AromaticContact CE1-CG 3.9Å; Y232-F236 HydrophobicContact CE1-CG 3.9Å; Y232-Y238 WeakPolarHBondContact O-CE2 3.21Å; Y232-Y238 PolarHBondContact O-OH 2.91Å; Y232-I243 HydrophobicContact CE1-CD1 3.95Å
233G98.5Very high97.7Very high1 Ų134.6 Ų34.61%0.0117%0.169CC..Iπ-helixtrans-78-36.4171.600000113.2F229 K293F229-G233 WeakPolarHBondContact O-CA 3.48Å; F229-G233 PolarHBondContact O-N 3.34Å; G233-K293 VanDerWaalsContact O-CE 3.26Å; G233-K293 WeakPolarHBondContact O-CE 3.25Å; G233-K293 VanDerWaalsContact O-CG 3.27Å; G233-K293 WeakPolarHBondContact O-CG 3.35Å; G233-K293 PolarHBondContact O-NZ 2.88Å
234R97.9Very high97.8Very high114 Ų11435.4 Ų35.443%0.4317%0.168SC..Iπ-helixtrans-123.7-45.3-166.8-54.6-175.465.11372.6114.9E230 E297E230-R234 WeakPolarHBondContact O-CA 3.4Å; E230-R234 VanDerWaalsContact O-CB 3.29Å; E230-R234 WeakPolarHBondContact O-CB 3.39Å; E230-R234 PolarHBondContact O-N 3.03Å; R234-E297 HydrophobicContact CG-CG 4.32Å
235H97.3Very high97.7Very high103 Ų10335.4 Ų35.448%0.47717%0.168SC..Iπ-helixtrans-101.5-27.6-164.1-59.4-50.9000115E230 L231 N237E230-H235 WeakPolarHBondContact CG-NE2 3.49Å; E230-H235 PolarHBondContact O-N 2.83Å; E230-H235 IonicContact OE1-CD2 2.99Å; E230-H235 IonicContact OE1-CE1 3.72Å; E230-H235 IonicContact OE1-NE2 2.72Å; E230-H235 PolarHBondContact OE1-NE2 3.01Å; L231-H235 HydrophobicContact CD1-CB 4.42Å; L231-H235 PolarHBondContact O-N 3.5Å; H235-N237 PolarHBondContact O-N 3.06Å
236F97.9Very high97.6Very high14 Ų1437.8 Ų37.86%0.06118%0.183CC..  trans-68.1122.4-175.1-174.7-93.6000111.4L231 Y232 Y238 T241 I243 Y251L231-F236 WeakPolarHBondContact O-CB 3.23Å; L231-F236 PolarHBondContact O-N 3.28Å; Y232-F236 HydrophobicContact CD1-CB 3.77Å; Y232-F236 HydrophobicContact CD1-CD1 4.27Å; Y232-F236 HydrophobicContact CD1-CD2 4.08Å; Y232-F236 AromaticContact CD1-CG 3.76Å; Y232-F236 HydrophobicContact CD1-CG 3.76Å; Y232-F236 HydrophobicContact CE1-CB 4.29Å; Y232-F236 HydrophobicContact CE1-CD1 4.47Å; Y232-F236 AromaticContact CE1-CD2 3.74Å; Y232-F236 HydrophobicContact CE1-CD2 3.74Å; Y232-F236 HydrophobicContact CE1-CE2 4.2Å; Y232-F236 AromaticContact CE1-CG 3.9Å; Y232-F236 HydrophobicContact CE1-CG 3.9Å; F236-Y238 HydrophobicContact CB-CE2 4.25Å; F236-Y238 AromaticContact CD1-CD1 3.79Å; F236-Y238 HydrophobicContact CD1-CD1 3.79Å; F236-Y238 AromaticContact CD1-CD2 3.88Å; F236-Y238 HydrophobicContact CD1-CD2 3.88Å; F236-Y238 AromaticContact CD1-CE1 3.78Å; F236-Y238 HydrophobicContact CD1-CE1 3.78Å; F236-Y238 AromaticContact CD1-CE2 3.87Å; F236-Y238 HydrophobicContact CD1-CE2 3.87Å; F236-Y238 AromaticContact CD1-CG 3.84Å; F236-Y238 HydrophobicContact CD1-CG 3.84Å; F236-Y238 AromaticContact CD1-CZ 3.82Å; F236-Y238 AromaticContact CE1-CD1 3.92Å; F236-Y238 HydrophobicContact CE1-CD1 3.92Å; F236-Y238 HydrophobicContact CE1-CE1 4.12Å; F236-Y238 HydrophobicContact CE1-CG 4.23Å; F236-Y238 WeakPolarHBondContact O-CD2 3.45Å; F236-Y238 PolarHBondContact O-N 3.11Å; F236-T241 HydrophobicContact CE2-CG2 3.68Å; F236-T241 HydrophobicContact CZ-CG2 3.72Å; F236-I243 HydrophobicContact CE2-CD1 4.1Å; F236-I243 HydrophobicContact CE2-CG1 3.83Å; F236-I243 HydrophobicContact CZ-CD1 3.94Å; F236-I243 HydrophobicContact CZ-CG1 3.62Å; F236-Y251 HydrophobicContact CD2-CE1 4.32Å; F236-Y251 AromaticContact CE2-CD1 3.98Å; F236-Y251 HydrophobicContact CE2-CD1 3.98Å; F236-Y251 AromaticContact CE2-CE1 3.77Å; F236-Y251 HydrophobicContact CE2-CE1 3.77Å
237N97.1Very high97.4Very high68 Ų6841.6 Ų41.636%0.36422%0.224SC..  trans-8479.9-177.2-169.5-18.1000112H235 T239 K240 T241H235-N237 PolarHBondContact O-N 3.06Å; N237-T239 PolarHBondContact O-N 3.42Å; N237-T239 PolarHBondContact OD1-N 3.37Å; N237-T239 PolarHBondContact OD1-OG1 2.92Å; N237-K240 PolarHBondContact O-N 3.01Å; N237-K240 VanDerWaalsContact O-N 3.14Å; N237-K240 PolarHBondContact OD1-N 3.46Å; N237-T241 WeakPolarHBondContact O-CB 3.35Å; N237-T241 PolarHBondContact O-N 3.31Å; N237-T241 PolarHBondContact O-OG1 2.68Å
238Y97.4Very high97.1Very high9 Ų942.2 Ų42.24%0.03524%0.241CC..THydrogen-bonded Turntrans-51.1-24.8173.1-66.6-83.6000114Y232 F236 K254 L270 V289 K293Y232-Y238 WeakPolarHBondContact O-CE2 3.21Å; Y232-Y238 PolarHBondContact O-OH 2.91Å; F236-Y238 HydrophobicContact CB-CE2 4.25Å; F236-Y238 AromaticContact CD1-CD1 3.79Å; F236-Y238 HydrophobicContact CD1-CD1 3.79Å; F236-Y238 AromaticContact CD1-CD2 3.88Å; F236-Y238 HydrophobicContact CD1-CD2 3.88Å; F236-Y238 AromaticContact CD1-CE1 3.78Å; F236-Y238 HydrophobicContact CD1-CE1 3.78Å; F236-Y238 AromaticContact CD1-CE2 3.87Å; F236-Y238 HydrophobicContact CD1-CE2 3.87Å; F236-Y238 AromaticContact CD1-CG 3.84Å; F236-Y238 HydrophobicContact CD1-CG 3.84Å; F236-Y238 AromaticContact CD1-CZ 3.82Å; F236-Y238 AromaticContact CE1-CD1 3.92Å; F236-Y238 HydrophobicContact CE1-CD1 3.92Å; F236-Y238 HydrophobicContact CE1-CE1 4.12Å; F236-Y238 HydrophobicContact CE1-CG 4.23Å; F236-Y238 WeakPolarHBondContact O-CD2 3.45Å; F236-Y238 PolarHBondContact O-N 3.11Å; Y238-K254 VanDerWaalsContact O-CE 3.22Å; Y238-K254 WeakPolarHBondContact O-CE 3.24Å; Y238-K254 PolarHBondContact O-NZ 3.47Å; Y238-L270 HydrophobicContact CD1-CD1 4.23Å; Y238-L270 HydrophobicContact CE1-CD1 3.99Å; Y238-V289 HydrophobicContact CD1-CG1 4.45Å; Y238-V289 HydrophobicContact CD1-CG2 3.69Å; Y238-V289 HydrophobicContact CE1-CG2 3.38Å; Y238-K293 HydrophobicContact CD2-CD 4.45Å; Y238-K293 HydrophobicContact CE2-CB 4.01Å; Y238-K293 HydrophobicContact CE2-CD 4.35Å; Y238-K293 HydrophobicContact CE2-CG 3.97Å
239T95.9Very high97Very high96 Ų9642.9 Ų42.959%0.58925%0.248SC*.THydrogen-bonded Turntrans-77.9-32.9-179.168.10000113.5N237N237-T239 PolarHBondContact O-N 3.42Å; N237-T239 PolarHBondContact OD1-N 3.37Å; N237-T239 PolarHBondContact OD1-OG1 2.92Å
240K96.5Very high97Very high145 Ų14544.7 Ų44.763%0.6326%0.26SS*.THydrogen-bonded Turntrans-120-20.6-170.1-66.3-175.7-179.1-174.60115.2N237 K254N237-K240 PolarHBondContact O-N 3.01Å; N237-K240 VanDerWaalsContact O-N 3.14Å; N237-K240 PolarHBondContact OD1-N 3.46Å; K240-K254 PolarHBondContact O-N 3.3Å
241T97.5Very high96.9Very high30 Ų3045.8 Ų45.818%0.18426%0.263CS..EExtended strand (participates in β ladder)trans-101.5140.8-172.1-56.40000111.6F236 N237 Y251 I252 K254F236-T241 HydrophobicContact CE2-CG2 3.68Å; F236-T241 HydrophobicContact CZ-CG2 3.72Å; N237-T241 WeakPolarHBondContact O-CB 3.35Å; N237-T241 PolarHBondContact O-N 3.31Å; N237-T241 PolarHBondContact O-OG1 2.68Å; T241-Y251 HydrophobicContact CG2-CD1 4.08Å; T241-Y251 HydrophobicContact CG2-CG 4Å; T241-I252 WeakPolarHBondContact CA-O 3.38Å; T241-K254 VanDerWaalsContact O-CE 3.27Å; T241-K254 WeakPolarHBondContact O-CE 3.45Å
242A97.6Very high96.8Very high0 Ų045.5 Ų45.50%026%0.261CS..EExtended strand (participates in β ladder)trans-115.4149.9164.700000110I252 K254 F257 C271A242-I252 HydrophobicContact CB-CD1 4.44Å; A242-I252 HydrophobicContact CB-CG1 3.86Å; A242-I252 PolarHBondContact N-O 3.01Å; A242-I252 PolarHBondContact O-N 2.94Å; A242-I252 VanDerWaalsContact O-N 3.08Å; A242-K254 HydrophobicContact CB-CG 4.38Å; A242-F257 HydrophobicContact CB-CB 3.84Å; A242-F257 HydrophobicContact CB-CD1 4.13Å; A242-F257 HydrophobicContact CB-CG 3.98Å; A242-C271 WeakPolarHBondContact CA-O 3.36Å; A242-C271 HydrophobicContact CB-CB 3.38Å
243I98.1Very high96.7Very high0 Ų048 Ų480%028%0.279CS..EExtended strand (participates in β ladder)trans-95.1123.5179.4-62.4-179.9000109.1M201 S204 Y232 F236 V245 Y251 C271 I272 E273M201-I243 HydrophobicContact CG-CD1 3.92Å; S204-I243 VanDerWaalsContact CB-CG2 3.42Å; S204-I243 WeakPolarHBondContact OG-CG2 3.49Å; Y232-I243 HydrophobicContact CE1-CD1 3.95Å; F236-I243 HydrophobicContact CE2-CD1 4.1Å; F236-I243 HydrophobicContact CE2-CG1 3.83Å; F236-I243 HydrophobicContact CZ-CD1 3.94Å; F236-I243 HydrophobicContact CZ-CG1 3.62Å; I243-V245 HydrophobicContact CG2-CG1 4.12Å; I243-Y251 HydrophobicContact CG1-CD1 4.42Å; I243-Y251 HydrophobicContact CG1-CE1 4.22Å; I243-C271 PolarHBondContact N-O 2.87Å; I243-I272 HydrophobicContact CB-CB 4.49Å; I243-I272 HydrophobicContact CB-CG1 4.24Å; I243-I272 HydrophobicContact CB-CG2 4.33Å; I243-I272 HydrophobicContact CD1-CG1 4.28Å; I243-I272 HydrophobicContact CG2-CG2 4.33Å; I243-I272 WeakPolarHBondContact O-CA 3.24Å; I243-E273 PolarHBondContact O-N 3.25Å
244R97.4Very high96.6Very high51 Ų5149.2 Ų49.219%0.19228%0.284CS..EExtended strand (participates in β ladder)trans-112.5126.5167.1173.2174.8-72.2141.45.7108.4T246 G249 S250 I252 E256 E273R244-T246 WeakPolarHBondContact CD-OG1 3.48Å; R244-T246 WeakPolarHBondContact CG-OG1 3.24Å; R244-G249 CarbonylContact O-C 3.57Å; R244-G249 VanDerWaalsContact O-CA 3.29Å; R244-G249 WeakPolarHBondContact O-CA 3.25Å; R244-S250 PolarHBondContact N-O 2.88Å; R244-S250 PolarHBondContact O-N 3.15Å; R244-I252 HydrophobicContact CB-CD1 4.4Å; R244-I252 VanDerWaalsContact NH2-CD1 3.33Å; R244-E256 IonicContact CZ-OE1 3.98Å; R244-E256 IonicContact NH1-OE1 2.78Å; R244-E256 PolarHBondContact NH1-OE1 3.18Å; R244-E256 IonicContact NH2-OE1 3.29Å; R244-E273 IonicContact CZ-OE2 3.5Å; R244-E273 VanDerWaalsContact NE-CD 3.35Å; R244-E273 IonicContact NE-OE1 2.77Å; R244-E273 PolarHBondContact NE-OE1 3.26Å; R244-E273 IonicContact NE-OE2 2.63Å; R244-E273 PolarHBondContact NE-OE2 3.26Å; R244-E273 IonicContact NH2-OE2 3.34Å; R244-E273 PolarHBondContact NH2-OE2 3.45Å
245V97.1Very high96.4Very high1 Ų151.3 Ų51.31%0.00630%0.298CS..  trans-102.4-9.1177-65.20000113.6F162 L200 V203 Q207 I243 P275F162-V245 HydrophobicContact CE2-CB 4.39Å; F162-V245 HydrophobicContact CE2-CG2 4.1Å; F162-V245 HydrophobicContact CZ-CB 3.98Å; F162-V245 HydrophobicContact CZ-CG2 4.01Å; L200-V245 HydrophobicContact CB-CG1 4.43Å; L200-V245 HydrophobicContact CD2-CG1 4.48Å; L200-V245 HydrophobicContact CD2-CG2 3.99Å; V203-V245 HydrophobicContact CB-CG1 4.27Å; V203-V245 HydrophobicContact CG1-CB 4.05Å; V203-V245 HydrophobicContact CG1-CG1 3.89Å; Q207-V245 PolarHBondContact NE2-O 3.31Å; I243-V245 HydrophobicContact CG2-CG1 4.12Å; V245-P275 HydrophobicContact CG2-CB 3.98Å; V245-P275 HydrophobicContact CG2-CG 3.84Å
246T94.9Very high96.2Very high50 Ų5049 Ų4931%0.30729%0.288SS..G310 helixtrans-74.4158.6175.2550000110.8R244 G248 G249 E273 P275R244-T246 WeakPolarHBondContact CD-OG1 3.48Å; R244-T246 WeakPolarHBondContact CG-OG1 3.24Å; T246-G248 VanDerWaalsContact C-N 3.3Å; T246-G248 PolarHBondContact O-N 2.78Å; T246-G249 PolarHBondContact O-N 2.89Å; T246-E273 PolarHBondContact OG1-OE1 2.93Å; T246-P275 HydrophobicContact CG2-CB 3.98Å
247G93.2Very high96Very high92 Ų9248.4 Ų48.495%0.94829%0.285SS*.G310 helixtrans63.826.5174.500000115.9
248G93Very high95.7Very high50 Ų5047.1 Ų47.152%0.51528%0.284SS..G310 helixtrans89-1.6-175.200000114.7Q207 T246Q207-G248 WeakPolarHBondContact CB-O 3.24Å; Q207-G248 WeakPolarHBondContact CG-O 2.97Å; T246-G248 VanDerWaalsContact C-N 3.3Å; T246-G248 PolarHBondContact O-N 2.78Å
249G96.2Very high95.4Very high14 Ų1455 Ų5514%0.14432%0.318CS..  trans94.2142.7176.500000113.5Q207 R244 T246Q207-G249 VanDerWaalsContact OE1-CA 3.27Å; R244-G249 CarbonylContact O-C 3.57Å; R244-G249 VanDerWaalsContact O-CA 3.29Å; R244-G249 WeakPolarHBondContact O-CA 3.25Å; T246-G249 PolarHBondContact O-N 2.89Å
250S97.4Very high95Very high38 Ų3852.4 Ų52.427%0.26631%0.305SS..EExtended strand (participates in β ladder)trans-161.3157.8174.351.50000112.6R244R244-S250 PolarHBondContact N-O 2.88Å; R244-S250 PolarHBondContact O-N 3.15Å
251Y97.6Very high94.6Very high66 Ų6646.2 Ų46.226%0.25928%0.278SS..EExtended strand (participates in β ladder)trans-101.6120.2166.5-66.3-35.7000109.4S204 L208 F236 T241 I243S204-Y251 VanDerWaalsContact OG-CE1 3.27Å; S204-Y251 WeakPolarHBondContact OG-CE1 3.49Å; L208-Y251 HydrophobicContact CD1-CD1 3.79Å; L208-Y251 HydrophobicContact CD1-CD2 3.85Å; L208-Y251 HydrophobicContact CD1-CE1 3.58Å; L208-Y251 HydrophobicContact CD1-CE2 3.64Å; L208-Y251 HydrophobicContact CD1-CG 3.9Å; L208-Y251 VanDerWaalsContact CD1-CZ 3.47Å; F236-Y251 HydrophobicContact CD2-CE1 4.32Å; F236-Y251 AromaticContact CE2-CD1 3.98Å; F236-Y251 HydrophobicContact CE2-CD1 3.98Å; F236-Y251 AromaticContact CE2-CE1 3.77Å; F236-Y251 HydrophobicContact CE2-CE1 3.77Å; T241-Y251 HydrophobicContact CG2-CD1 4.08Å; T241-Y251 HydrophobicContact CG2-CG 4Å; I243-Y251 HydrophobicContact CG1-CD1 4.42Å; I243-Y251 HydrophobicContact CG1-CE1 4.22Å
252I96.2Very high93.6Very high13 Ų1346.5 Ų46.57%0.06729%0.287CS..EExtended strand (participates in β ladder)trans-115.1162.9-178.367.3-176.9000110.5T241 A242 R244 E256 F257T241-I252 WeakPolarHBondContact CA-O 3.38Å; A242-I252 HydrophobicContact CB-CD1 4.44Å; A242-I252 HydrophobicContact CB-CG1 3.86Å; A242-I252 PolarHBondContact N-O 3.01Å; A242-I252 PolarHBondContact O-N 2.94Å; A242-I252 VanDerWaalsContact O-N 3.08Å; R244-I252 HydrophobicContact CB-CD1 4.4Å; R244-I252 VanDerWaalsContact NH2-CD1 3.33Å; I252-E256 HydrophobicContact CB-CB 4.46Å; I252-F257 HydrophobicContact CD1-CB 3.92Å; I252-F257 HydrophobicContact CD1-CD2 4.3Å; I252-F257 HydrophobicContact CG1-CB 4.37Å
253S96.7Very high92.5Very high52 Ų5250.8 Ų50.836%0.36432%0.323SS..EExtended strand (participates in β ladder)trans-73.4149.9172.470.90000110.5E255 E256 F257S253-E255 PolarHBondContact O-N 3.06Å; S253-E256 WeakPolarHBondContact O-CB 3.28Å; S253-E256 PolarHBondContact O-N 2.89Å; S253-E256 PolarHBondContact OG-N 3.02Å; S253-F257 PolarHBondContact O-N 2.9Å
254K95.4Very high91.5Very high28 Ų2859.9 Ų59.912%0.12237%0.365CS..Hα-helixtrans-61.7-24.9170.9-71-173.1-175.3-169.80113Y238 K240 T241 A242 A258 P267 S268 L269 C271Y238-K254 VanDerWaalsContact O-CE 3.22Å; Y238-K254 WeakPolarHBondContact O-CE 3.24Å; Y238-K254 PolarHBondContact O-NZ 3.47Å; K240-K254 PolarHBondContact O-N 3.3Å; T241-K254 VanDerWaalsContact O-CE 3.27Å; T241-K254 WeakPolarHBondContact O-CE 3.45Å; A242-K254 HydrophobicContact CB-CG 4.38Å; K254-A258 VanDerWaalsContact O-CB 3.27Å; K254-A258 WeakPolarHBondContact O-CB 3.38Å; K254-A258 PolarHBondContact O-N 3.07Å; K254-P267 HydrophobicContact CB-CB 4.11Å; K254-P267 HydrophobicContact CB-CG 4.27Å; K254-P267 HydrophobicContact CD-CB 4.12Å; K254-P267 HydrophobicContact CG-CB 4.24Å; K254-S268 PolarHBondContact NZ-O 3.38Å; K254-L269 PolarHBondContact NZ-O 3.37Å; K254-C271 VanDerWaalsContact CE-SG 3.56Å; K254-C271 HydrophobicContact CG-CB 4.41Å
255E93.4Very high90.8Very high157 Ų15761.4 Ų61.473%0.73437%0.374SS*.Hα-helixtrans-68.8-32.3172.2-64.8170.9-158.200112.8S253 K259S253-E255 PolarHBondContact O-N 3.06Å; E255-K259 WeakPolarHBondContact O-CE 3.34Å
256E93.7Very high90.4Very high56 Ų5668.7 Ų68.726%0.26241%0.408SS..Hα-helixtrans-72.9-48.9170.8-171.8-169.5135.700110.5R244 I252 S253 A258 K259R244-E256 IonicContact CZ-OE1 3.98Å; R244-E256 IonicContact NH1-OE1 2.78Å; R244-E256 PolarHBondContact NH1-OE1 3.18Å; R244-E256 IonicContact NH2-OE1 3.29Å; I252-E256 HydrophobicContact CB-CB 4.46Å; S253-E256 WeakPolarHBondContact O-CB 3.28Å; S253-E256 PolarHBondContact O-N 2.89Å; S253-E256 PolarHBondContact OG-N 3.02Å; E256-A258 VanDerWaalsContact C-N 3.28Å; E256-A258 PolarHBondContact O-N 3.27Å; E256-K259 VanDerWaalsContact O-CB 3.28Å; E256-K259 WeakPolarHBondContact O-CB 3.31Å; E256-K259 PolarHBondContact O-N 3.25Å
257F93Very high90.2Very high0 Ų068.1 Ų68.10%041%0.405CS..Hα-helixtrans-61.4-34.2179.6-175.1-122000113A242 I252 S253 K259 S260 L261 P267 C271 E273 D281A242-F257 HydrophobicContact CB-CB 3.84Å; A242-F257 HydrophobicContact CB-CD1 4.13Å; A242-F257 HydrophobicContact CB-CG 3.98Å; I252-F257 HydrophobicContact CD1-CB 3.92Å; I252-F257 HydrophobicContact CD1-CD2 4.3Å; I252-F257 HydrophobicContact CG1-CB 4.37Å; S253-F257 PolarHBondContact O-N 2.9Å; F257-K259 PolarHBondContact O-N 3.1Å; F257-S260 WeakPolarHBondContact CD2-OG 3.4Å; F257-S260 PolarHBondContact O-N 2.73Å; F257-S260 PolarHBondContact O-OG 2.94Å; F257-L261 HydrophobicContact CD1-CD1 4.23Å; F257-L261 HydrophobicContact CD1-CG 4.38Å; F257-L261 HydrophobicContact CE1-CD1 4.05Å; F257-L261 HydrophobicContact CE1-CD2 3.87Å; F257-L261 HydrophobicContact CE1-CG 4.1Å; F257-L261 HydrophobicContact CE2-CD2 4.35Å; F257-L261 HydrophobicContact CZ-CD2 3.72Å; F257-L261 HydrophobicContact CZ-CG 4.29Å; F257-L261 PolarHBondContact O-N 3.42Å; F257-P267 HydrophobicContact CD1-CB 4.29Å; F257-C271 HydrophobicContact CD1-CB 3.9Å; F257-C271 HydrophobicContact CE1-CB 4.01Å; F257-E273 HydrophobicContact CD2-CB 4.28Å; F257-E273 HydrophobicContact CE2-CB 3.69Å; F257-E273 HydrophobicContact CE2-CG 4.05Å; F257-E273 HydrophobicContact CZ-CB 4.49Å; F257-D281 HydrophobicContact CE1-CB 3.84Å; F257-D281 HydrophobicContact CZ-CB 4.01Å
258A92.6Very high90.2Very high42 Ų4264.8 Ų64.835%0.34737%0.367SS..THydrogen-bonded Turntrans-58.3-20.2173.600000113.8K254 E256 P267K254-A258 VanDerWaalsContact O-CB 3.27Å; K254-A258 WeakPolarHBondContact O-CB 3.38Å; K254-A258 PolarHBondContact O-N 3.07Å; E256-A258 VanDerWaalsContact C-N 3.28Å; E256-A258 PolarHBondContact O-N 3.27Å; A258-P267 HydrophobicContact CB-CG 3.81Å
259K91.1Very high90.3Very high173 Ų17365.4 Ų65.475%0.75236%0.358SS*.THydrogen-bonded Turntrans-81.8-20.1177.6-56.9168.3-172.3170.20113.3E255 E256 F257E255-K259 WeakPolarHBondContact O-CE 3.34Å; E256-K259 VanDerWaalsContact O-CB 3.28Å; E256-K259 WeakPolarHBondContact O-CB 3.31Å; E256-K259 PolarHBondContact O-N 3.25Å; F257-K259 PolarHBondContact O-N 3.1Å
260S87.4Confident90.4Very high43 Ų4364.7 Ų64.730%0.30135%0.351SS..THydrogen-bonded Turntrans-93.5-15.9174.353.20000113F257 C279F257-S260 WeakPolarHBondContact CD2-OG 3.4Å; F257-S260 PolarHBondContact O-N 2.73Å; F257-S260 PolarHBondContact O-OG 2.94Å; S260-C279 VanDerWaalsContact O-CA 3.29Å; S260-C279 WeakPolarHBondContact O-CA 3.28Å; S260-C279 WeakPolarHBondContact O-CB 3.39Å
261L86.4Confident90.3Very high15 Ų1562.9 Ų62.98%0.07934%0.339CS..SBendtrans-72.5158.3172.6-65.6-178.8000112.1F257 E265 P267 C279 D281F257-L261 HydrophobicContact CD1-CD1 4.23Å; F257-L261 HydrophobicContact CD1-CG 4.38Å; F257-L261 HydrophobicContact CE1-CD1 4.05Å; F257-L261 HydrophobicContact CE1-CD2 3.87Å; F257-L261 HydrophobicContact CE1-CG 4.1Å; F257-L261 HydrophobicContact CE2-CD2 4.35Å; F257-L261 HydrophobicContact CZ-CD2 3.72Å; F257-L261 HydrophobicContact CZ-CG 4.29Å; F257-L261 PolarHBondContact O-N 3.42Å; L261-E265 HydrophobicContact CB-CB 4.04Å; L261-E265 HydrophobicContact CD1-CB 4.33Å; L261-P267 HydrophobicContact CD1-CB 4.45Å; L261-P267 HydrophobicContact CD1-CG 4.01Å; L261-C279 WeakPolarHBondContact CD2-O 3.26Å; L261-D281 HydrophobicContact CD2-CB 4.32Å
262G77.9Confident90.3Very high35 Ų3559.8 Ų59.836%0.36133%0.326SS..PPolyproline II helixtrans-64.7158.1173.900000113H264 E265G262-H264 PolarHBondContact O-N 3.25Å; G262-E265 WeakPolarHBondContact O-CB 3.32Å; G262-E265 PolarHBondContact O-N 3.34Å
263A74.3Confident90.3Very high91 Ų9159.7 Ų59.775%0.75233%0.326SS*.THydrogen-bonded Turntrans-54.1135.2174.800000110.9E265A263-E265 VanDerWaalsContact C-N 3.26Å; A263-E265 PolarHBondContact O-N 2.85Å
264H76.7Confident90.2Very high190 Ų19057.9 Ų57.988%0.8831%0.312SS*.THydrogen-bonded Turntrans70.8-3.2-174.5-46.5-76.6000117.1G262G262-H264 PolarHBondContact O-N 3.25Å
265E83.6Confident90.2Very high83 Ų8358 Ų5839%0.38832%0.315SS..PPolyproline II helixtrans-78130.6171.4-73-160-160.300111.8L261 G262 A263 R284L261-E265 HydrophobicContact CB-CB 4.04Å; L261-E265 HydrophobicContact CD1-CB 4.33Å; G262-E265 WeakPolarHBondContact O-CB 3.32Å; G262-E265 PolarHBondContact O-N 3.34Å; A263-E265 VanDerWaalsContact C-N 3.26Å; A263-E265 PolarHBondContact O-N 2.85Å; E265-R284 IonicContact OE2-CZ 3.44Å; E265-R284 IonicContact OE2-NE 3.59Å; E265-R284 IonicContact OE2-NH2 2.66Å; E265-R284 PolarHBondContact OE2-NH2 2.74Å
266Q87.7Confident90.1Very high155 Ų15551.5 Ų51.572%0.72429%0.289SS*.PPolyproline II helixtrans-97.3141.8170.8-64.8-173.411.100110.6S268 R284Q266-S268 PolarHBondContact O-N 3.05Å; Q266-R284 PolarHBondContact O-NH1 3.46Å; Q266-R284 PolarHBondContact O-NH2 2.95Å; Q266-R284 VanDerWaalsContact O-NH2 3.16Å
267P90.5Very high90Very high37 Ų3753 Ų5324%0.2430%0.295CS..PPolyproline II helixtrans-57.3131.7168.1-22.533.1000110.7K254 F257 A258 L261 C271K254-P267 HydrophobicContact CB-CB 4.11Å; K254-P267 HydrophobicContact CB-CG 4.27Å; K254-P267 HydrophobicContact CD-CB 4.12Å; K254-P267 HydrophobicContact CG-CB 4.24Å; F257-P267 HydrophobicContact CD1-CB 4.29Å; A258-P267 HydrophobicContact CB-CG 3.81Å; L261-P267 HydrophobicContact CD1-CB 4.45Å; L261-P267 HydrophobicContact CD1-CG 4.01Å; P267-C271 WeakPolarHBondContact CB-SG 3.4Å
268S94.1Very high89.6Confident22 Ų2256.4 Ų56.415%0.15432%0.317CS..  trans-75.9-172.8179.674.70000112.7K254 Q266 L270 C271 D281 R284K254-S268 PolarHBondContact NZ-O 3.38Å; Q266-S268 PolarHBondContact O-N 3.05Å; S268-L270 PolarHBondContact OG-O 3.36Å; S268-C271 PolarHBondContact N-SG 2.88Å; S268-C271 PolarHBondContact O-SG 3.45Å; S268-D281 VanDerWaalsContact CB-OD2 3.26Å; S268-D281 WeakPolarHBondContact CB-OD2 3.33Å; S268-D281 PolarHBondContact N-OD2 3.03Å; S268-D281 PolarHBondContact OG-OD2 3.31Å; S268-R284 PolarHBondContact OG-N 3.22Å
269L95.1Very high89.5Confident63 Ų6357 Ų5733%0.3332%0.318SS..SBendtrans-72.3-35.8176.8-171.656.6000112K254 V289 L290K254-L269 PolarHBondContact NZ-O 3.37Å; L269-V289 HydrophobicContact CB-CG1 3.85Å; L269-V289 HydrophobicContact CD2-CG1 3.64Å; L269-V289 HydrophobicContact CG-CG1 3.59Å; L269-L290 HydrophobicContact CD2-CD1 4.24Å; L269-L290 HydrophobicContact CD2-CD2 4.11Å; L269-L290 HydrophobicContact CD2-CG 3.86Å
270L97.3Very high89.5Confident0 Ų051 Ų510%029%0.294CS..SBendtrans-104.4100.2169.4174.650.4000108.9L193 M201 Y238 S268 I272 G283 C286 V289L193-L270 HydrophobicContact CD1-CD2 3.74Å; M201-L270 HydrophobicContact SD-CD1 4.27Å; M201-L270 HydrophobicContact SD-CD2 3.99Å; Y238-L270 HydrophobicContact CD1-CD1 4.23Å; Y238-L270 HydrophobicContact CE1-CD1 3.99Å; S268-L270 PolarHBondContact OG-O 3.36Å; L270-I272 HydrophobicContact CD1-CD1 4.03Å; L270-I272 HydrophobicContact CD1-CG1 3.91Å; L270-I272 HydrophobicContact CD2-CD1 4.19Å; L270-I272 HydrophobicContact CG-CD1 4.02Å; L270-I272 HydrophobicContact CG-CG1 4.08Å; L270-G283 CarbonylContact O-C 3.58Å; L270-G283 WeakPolarHBondContact O-CA 3.35Å; L270-C286 HydrophobicContact CD2-CB 4.09Å; L270-V289 HydrophobicContact CB-CB 4.14Å; L270-V289 HydrophobicContact CB-CG1 4.23Å; L270-V289 HydrophobicContact CB-CG2 4.02Å; L270-V289 HydrophobicContact CD2-CG2 4.04Å; L270-V289 HydrophobicContact CG-CG2 4.49Å
271C96.7Very high89.8Confident0 Ų049.1 Ų49.10%028%0.28CS..EExtended strand (participates in β ladder)trans-92.4122.7178.2-68.40000111.6A242 I243 K254 F257 P267 S268 D281A242-C271 WeakPolarHBondContact CA-O 3.36Å; A242-C271 HydrophobicContact CB-CB 3.38Å; I243-C271 PolarHBondContact N-O 2.87Å; K254-C271 VanDerWaalsContact CE-SG 3.56Å; K254-C271 HydrophobicContact CG-CB 4.41Å; F257-C271 HydrophobicContact CD1-CB 3.9Å; F257-C271 HydrophobicContact CE1-CB 4.01Å; P267-C271 WeakPolarHBondContact CB-SG 3.4Å; S268-C271 PolarHBondContact N-SG 2.88Å; S268-C271 PolarHBondContact O-SG 3.45Å; C271-D281 WeakPolarHBondContact CA-OD1 3.37Å; C271-D281 PolarHBondContact SG-OD2 3.11Å
272I97.3Very high90.2Very high0 Ų049.9 Ų49.90%029%0.286CS..EExtended strand (participates in β ladder)trans-136118.2174.2-51.6176.5000108.2L200 M201 I243 L270 D274 D281 V282L200-I272 HydrophobicContact CB-CG2 3.87Å; L200-I272 HydrophobicContact CD1-CG2 3.72Å; L200-I272 HydrophobicContact CG-CG2 4.47Å; M201-I272 HydrophobicContact CG-CD1 3.75Å; M201-I272 HydrophobicContact SD-CD1 4.35Å; I243-I272 HydrophobicContact CB-CB 4.49Å; I243-I272 HydrophobicContact CB-CG1 4.24Å; I243-I272 HydrophobicContact CB-CG2 4.33Å; I243-I272 HydrophobicContact CD1-CG1 4.28Å; I243-I272 HydrophobicContact CG2-CG2 4.33Å; I243-I272 WeakPolarHBondContact O-CA 3.24Å; L270-I272 HydrophobicContact CD1-CD1 4.03Å; L270-I272 HydrophobicContact CD1-CG1 3.91Å; L270-I272 HydrophobicContact CD2-CD1 4.19Å; L270-I272 HydrophobicContact CG-CD1 4.02Å; L270-I272 HydrophobicContact CG-CG1 4.08Å; I272-D274 PolarHBondContact O-N 2.95Å; I272-D281 PolarHBondContact N-OD1 2.88Å; I272-V282 HydrophobicContact CB-CB 4.14Å; I272-V282 HydrophobicContact CG2-CB 4.39Å; I272-V282 PolarHBondContact O-N 3.13Å
273E95.5Very high91.1Very high12 Ų1248.3 Ų48.36%0.05627%0.269CS..BIsolated β-bridgetrans-65.2122.9173.1-175.1177.5109.100109.8I243 R244 T246 F257 P275I243-E273 PolarHBondContact O-N 3.25Å; R244-E273 IonicContact CZ-OE2 3.5Å; R244-E273 VanDerWaalsContact NE-CD 3.35Å; R244-E273 IonicContact NE-OE1 2.77Å; R244-E273 PolarHBondContact NE-OE1 3.26Å; R244-E273 IonicContact NE-OE2 2.63Å; R244-E273 PolarHBondContact NE-OE2 3.26Å; R244-E273 IonicContact NH2-OE2 3.34Å; R244-E273 PolarHBondContact NH2-OE2 3.45Å; T246-E273 PolarHBondContact OG1-OE1 2.93Å; F257-E273 HydrophobicContact CD2-CB 4.28Å; F257-E273 HydrophobicContact CE2-CB 3.69Å; F257-E273 HydrophobicContact CE2-CG 4.05Å; F257-E273 HydrophobicContact CZ-CB 4.49Å; E273-P275 VanDerWaalsContact O-CD 3.26Å; E273-P275 WeakPolarHBondContact O-CD 3.03Å
274D94.7Very high92Very high13 Ų1348.2 Ų48.27%0.0725%0.25CC..  trans-74.7111.1177.1-174.1-27.4000110.6Y196 I272 A276 K277 P278 N280 V282Y196-D274 PolarHBondContact OH-OD1 3.21Å; I272-D274 PolarHBondContact O-N 2.95Å; D274-A276 PolarHBondContact O-N 3.42Å; D274-A276 WeakPolarHBondContact OD1-CA 3.33Å; D274-A276 WeakPolarHBondContact OD1-CB 3.49Å; D274-A276 PolarHBondContact OD1-N 2.9Å; D274-K277 WeakPolarHBondContact CB-O 3.39Å; D274-K277 CarbonylContact O-C 3.46Å; D274-K277 PolarHBondContact O-N 3.18Å; D274-K277 VanDerWaalsContact O-N 3.14Å; D274-K277 PolarHBondContact OD1-N 3.2Å; D274-P278 VanDerWaalsContact O-CA 3.31Å; D274-P278 WeakPolarHBondContact O-CA 2.98Å; D274-P278 VanDerWaalsContact O-N 3.15Å; D274-N280 HydrophobicContact CB-CB 3.85Å; D274-N280 WeakPolarHBondContact CB-O 3.43Å; D274-N280 PolarHBondContact N-O 2.76Å; D274-N280 PolarHBondContact OD2-ND2 3.49Å; D274-V282 HydrophobicContact CB-CG2 3.47Å; D274-V282 VanDerWaalsContact CB-CG2 3.47Å
275P94.7Very high92.8Very high30 Ų3040.4 Ų40.420%0.19522%0.22CC..THydrogen-bonded Turntrans-67.7-16.6-179.229.9-36.9000113.4C158 Y196 L200 V245 T246 E273C158-P275 VanDerWaalsContact SG-CG 3.57Å; Y196-P275 WeakPolarHBondContact OH-CD 3.24Å; Y196-P275 WeakPolarHBondContact OH-CG 3.35Å; L200-P275 HydrophobicContact CD2-CG 4.08Å; V245-P275 HydrophobicContact CG2-CB 3.98Å; V245-P275 HydrophobicContact CG2-CG 3.84Å; T246-P275 HydrophobicContact CG2-CB 3.98Å; E273-P275 VanDerWaalsContact O-CD 3.26Å; E273-P275 WeakPolarHBondContact O-CD 3.03Å
276A92.2Very high93.4Very high22 Ų2236.6 Ų36.618%0.18220%0.203CC..THydrogen-bonded Turntrans-93.2-18.7174.800000113K154 D274K154-A276 HydrophobicContact CB-CB 3.91Å; D274-A276 PolarHBondContact O-N 3.42Å; D274-A276 WeakPolarHBondContact OD1-CA 3.33Å; D274-A276 WeakPolarHBondContact OD1-CB 3.49Å; D274-A276 PolarHBondContact OD1-N 2.9Å
277K90.3Very high93.7Very high87 Ų8736.7 Ų36.738%0.37820%0.198SC..SBendtrans-148.679.9176.6-172.5-172.1167.8-169.10111.1D274 C279 N280D274-K277 WeakPolarHBondContact CB-O 3.39Å; D274-K277 CarbonylContact O-C 3.46Å; D274-K277 PolarHBondContact O-N 3.18Å; D274-K277 VanDerWaalsContact O-N 3.14Å; D274-K277 PolarHBondContact OD1-N 3.2Å; K277-C279 PolarHBondContact O-N 2.98Å; K277-N280 HydrophobicContact CB-CB 4.21Å; K277-N280 HydrophobicContact CD-CB 3.97Å; K277-N280 HydrophobicContact CG-CB 4.14Å; K277-N280 VanDerWaalsContact O-CB 3.23Å; K277-N280 WeakPolarHBondContact O-CB 3.31Å; K277-N280 PolarHBondContact O-N 2.79Å
278P86.4Confident93.9Very high72 Ų7235.5 Ų35.547%0.46819%0.193SC..THydrogen-bonded Turntrans-55-19-167.1-31.337.1000118.1D274 N280D274-P278 VanDerWaalsContact O-CA 3.31Å; D274-P278 WeakPolarHBondContact O-CA 2.98Å; D274-P278 VanDerWaalsContact O-N 3.15Å; P278-N280 VanDerWaalsContact C-N 3.29Å; P278-N280 PolarHBondContact O-N 2.78Å
279C88.8Confident94Very high55 Ų5534.5 Ų34.537%0.37219%0.186SC..THydrogen-bonded Turntrans-834.9173.461.50000115S260 L261 K277S260-C279 VanDerWaalsContact O-CA 3.29Å; S260-C279 WeakPolarHBondContact O-CA 3.28Å; S260-C279 WeakPolarHBondContact O-CB 3.39Å; L261-C279 WeakPolarHBondContact CD2-O 3.26Å; K277-C279 PolarHBondContact O-N 2.98Å
280N91.6Very high94.1Very high47 Ų4735.8 Ų35.825%0.25119%0.193SC..  trans-107.3134-177.9-17647.4000111.6D274 K277 P278D274-N280 HydrophobicContact CB-CB 3.85Å; D274-N280 WeakPolarHBondContact CB-O 3.43Å; D274-N280 PolarHBondContact N-O 2.76Å; D274-N280 PolarHBondContact OD2-ND2 3.49Å; K277-N280 HydrophobicContact CB-CB 4.21Å; K277-N280 HydrophobicContact CD-CB 3.97Å; K277-N280 HydrophobicContact CG-CB 4.14Å; K277-N280 VanDerWaalsContact O-CB 3.23Å; K277-N280 WeakPolarHBondContact O-CB 3.31Å; K277-N280 PolarHBondContact O-N 2.79Å; P278-N280 VanDerWaalsContact C-N 3.29Å; P278-N280 PolarHBondContact O-N 2.78Å
281D94.7Very high94.1Very high2 Ų242.7 Ų42.71%0.01122%0.223CC..BIsolated β-bridgetrans-91.8103.3169.2-176.60.9000109.8F257 L261 S268 C271 I272 G283 R284F257-D281 HydrophobicContact CE1-CB 3.84Å; F257-D281 HydrophobicContact CZ-CB 4.01Å; L261-D281 HydrophobicContact CD2-CB 4.32Å; S268-D281 VanDerWaalsContact CB-OD2 3.26Å; S268-D281 WeakPolarHBondContact CB-OD2 3.33Å; S268-D281 PolarHBondContact N-OD2 3.03Å; S268-D281 PolarHBondContact OG-OD2 3.31Å; C271-D281 WeakPolarHBondContact CA-OD1 3.37Å; C271-D281 PolarHBondContact SG-OD2 3.11Å; I272-D281 PolarHBondContact N-OD1 2.88Å; D281-G283 PolarHBondContact O-N 2.98Å; D281-G283 PolarHBondContact OD1-N 2.81Å; D281-G283 VanDerWaalsContact OD1-N 3.11Å; D281-R284 HydrophobicContact CB-CB 4.21Å; D281-R284 WeakPolarHBondContact O-CB 3.39Å; D281-R284 PolarHBondContact O-N 3.11Å; D281-R284 VanDerWaalsContact O-N 3.09Å
282V94.9Very high94.2Very high31 Ų3142.8 Ų42.819%0.18822%0.223CC..G310 helixtrans-60.4-31.6-178.6-1790000111.8Y196 L200 I272 D274 R284Y196-V282 HydrophobicContact CD1-CG1 3.55Å; Y196-V282 HydrophobicContact CD1-CG2 4.12Å; Y196-V282 HydrophobicContact CE1-CG1 4.14Å; Y196-V282 HydrophobicContact CE1-CG2 3.83Å; Y196-V282 HydrophobicContact CG-CG1 4.48Å; L200-V282 HydrophobicContact CD1-CB 4.45Å; L200-V282 HydrophobicContact CD1-CG1 4.39Å; L200-V282 HydrophobicContact CD1-CG2 3.95Å; I272-V282 HydrophobicContact CB-CB 4.14Å; I272-V282 HydrophobicContact CG2-CB 4.39Å; I272-V282 PolarHBondContact O-N 3.13Å; D274-V282 HydrophobicContact CB-CG2 3.47Å; D274-V282 VanDerWaalsContact CB-CG2 3.47Å; V282-R284 VanDerWaalsContact C-N 3.29Å; V282-R284 PolarHBondContact O-N 2.84Å
283G95.6Very high94.2Very high2 Ų244.6 Ų44.62%0.02123%0.231CC..G310 helixtrans-83.6-0.4-17900000114.3L270 D281 G285 C286L270-G283 CarbonylContact O-C 3.58Å; L270-G283 WeakPolarHBondContact O-CA 3.35Å; D281-G283 PolarHBondContact O-N 2.98Å; D281-G283 PolarHBondContact OD1-N 2.81Å; D281-G283 VanDerWaalsContact OD1-N 3.11Å; G283-G285 PolarHBondContact O-N 2.94Å; G283-G285 VanDerWaalsContact O-N 3.13Å; G283-C286 WeakPolarHBondContact O-CA 3.42Å; G283-C286 WeakPolarHBondContact O-CB 3.5Å; G283-C286 PolarHBondContact O-N 3.13Å
284R93.8Very high94.4Very high89 Ų8949.4 Ų49.434%0.33625%0.253SS..G310 helixtrans-51.9-37.3-180-176.8176.6-61.6-58.3-0.1114E265 Q266 S268 D281 V282 C286E265-R284 IonicContact OE2-CZ 3.44Å; E265-R284 IonicContact OE2-NE 3.59Å; E265-R284 IonicContact OE2-NH2 2.66Å; E265-R284 PolarHBondContact OE2-NH2 2.74Å; Q266-R284 PolarHBondContact O-NH1 3.46Å; Q266-R284 PolarHBondContact O-NH2 2.95Å; Q266-R284 VanDerWaalsContact O-NH2 3.16Å; S268-R284 PolarHBondContact OG-N 3.22Å; D281-R284 HydrophobicContact CB-CB 4.21Å; D281-R284 WeakPolarHBondContact O-CB 3.39Å; D281-R284 PolarHBondContact O-N 3.11Å; D281-R284 VanDerWaalsContact O-N 3.09Å; V282-R284 VanDerWaalsContact C-N 3.29Å; V282-R284 PolarHBondContact O-N 2.84Å; R284-C286 VanDerWaalsContact C-N 3.35Å
285G92.5Very high94.5Very high26 Ų2649.3 Ų49.327%0.26825%0.254SS..G310 helixtrans-75.8-17.9176.800000114.6G283 Y287G283-G285 PolarHBondContact O-N 2.94Å; G283-G285 VanDerWaalsContact O-N 3.13Å; G285-Y287 WeakPolarHBondContact O-CD1 3.48Å; G285-Y287 PolarHBondContact O-N 3.43Å
286C96.2Very high94.7Very high4 Ų447.9 Ų47.93%0.02725%0.245CC..  trans-84.152.3-178.8-163.40000111.9G191 G192 L270 G283 R284 G288 V289G191-C286 CarbonylContact O-C 3.53Å; G192-C286 VanDerWaalsContact C-SG 3.56Å; G192-C286 WeakPolarHBondContact O-CA 3.46Å; G192-C286 WeakPolarHBondContact O-CB 3.49Å; G192-C286 PolarHBondContact O-SG 3.36Å; G192-C286 VanDerWaalsContact O-SG 3.38Å; L270-C286 HydrophobicContact CD2-CB 4.09Å; G283-C286 WeakPolarHBondContact O-CA 3.42Å; G283-C286 WeakPolarHBondContact O-CB 3.5Å; G283-C286 PolarHBondContact O-N 3.13Å; R284-C286 VanDerWaalsContact C-N 3.35Å; C286-G288 PolarHBondContact O-N 3.15Å; C286-G288 VanDerWaalsContact O-N 3.09Å; C286-V289 WeakPolarHBondContact O-CB 3.35Å; C286-V289 PolarHBondContact O-N 3.18Å
287Y94.1Very high95Very high156 Ų15649.1 Ų49.161%0.61225%0.247SC*.THydrogen-bonded Turntrans-62.5-17.5178.264.1-99.9000112.9F189 F190 G191 G285F189-Y287 PolarHBondContact O-OH 2.89Å; F190-Y287 PolarHBondContact O-OH 3.14Å; G191-Y287 VanDerWaalsContact N-CZ 3.33Å; G191-Y287 PolarHBondContact N-OH 3.39Å; G285-Y287 WeakPolarHBondContact O-CD1 3.48Å; G285-Y287 PolarHBondContact O-N 3.43Å
288G94.6Very high95.4Very high13 Ų1349.6 Ų49.613%0.13425%0.247CC..THydrogen-bonded Turntrans-8911.717400000115.2G191 C286 L290 K291G191-G288 VanDerWaalsContact O-CA 3.24Å; G191-G288 WeakPolarHBondContact O-CA 3.46Å; G191-G288 PolarHBondContact O-N 2.87Å; C286-G288 PolarHBondContact O-N 3.15Å; C286-G288 VanDerWaalsContact O-N 3.09Å; G288-L290 PolarHBondContact O-N 3.08Å; G288-K291 WeakPolarHBondContact O-CB 3.4Å; G288-K291 PolarHBondContact O-N 3.37Å
289V97.3Very high95.9Very high1 Ų146.2 Ų46.21%0.00623%0.225CC..Hα-helixtrans-51.6-29.2-171.563.60000115.1Y238 L269 L270 C286 K291 V292 K293Y238-V289 HydrophobicContact CD1-CG1 4.45Å; Y238-V289 HydrophobicContact CD1-CG2 3.69Å; Y238-V289 HydrophobicContact CE1-CG2 3.38Å; L269-V289 HydrophobicContact CB-CG1 3.85Å; L269-V289 HydrophobicContact CD2-CG1 3.64Å; L269-V289 HydrophobicContact CG-CG1 3.59Å; L270-V289 HydrophobicContact CB-CB 4.14Å; L270-V289 HydrophobicContact CB-CG1 4.23Å; L270-V289 HydrophobicContact CB-CG2 4.02Å; L270-V289 HydrophobicContact CD2-CG2 4.04Å; L270-V289 HydrophobicContact CG-CG2 4.49Å; C286-V289 WeakPolarHBondContact O-CB 3.35Å; C286-V289 PolarHBondContact O-N 3.18Å; V289-K291 VanDerWaalsContact C-N 3.25Å; V289-K291 PolarHBondContact O-N 3.05Å; V289-V292 CarbonylContact O-C 3.59Å; V289-V292 WeakPolarHBondContact O-CA 3.46Å; V289-V292 WeakPolarHBondContact O-CB 3.47Å; V289-V292 PolarHBondContact O-N 3.17Å; V289-K293 PolarHBondContact O-N 3.49Å
290L97.1Very high96.4Very high90 Ų9044.8 Ų44.847%0.47121%0.212SC..Hα-helixtrans-61.8-31.7175.1-62.6-178.8000113L269 G288 V292 H294L269-L290 HydrophobicContact CD2-CD1 4.24Å; L269-L290 HydrophobicContact CD2-CD2 4.11Å; L269-L290 HydrophobicContact CD2-CG 3.86Å; G288-L290 PolarHBondContact O-N 3.08Å; L290-V292 VanDerWaalsContact C-N 3.33Å; L290-H294 PolarHBondContact O-CD2 2.86Å; L290-H294 PolarHBondContact O-N 3.31Å
291K97.5Very high96.6Very high145 Ų14546.5 Ų46.563%0.6322%0.221SC*.Hα-helixtrans-66.7-36.6171-63177.9177.6177.80111.4L185 G288 V289 A295L185-K291 HydrophobicContact CD2-CB 4.03Å; G288-K291 WeakPolarHBondContact O-CB 3.4Å; G288-K291 PolarHBondContact O-N 3.37Å; V289-K291 VanDerWaalsContact C-N 3.25Å; V289-K291 PolarHBondContact O-N 3.05Å; K291-A295 WeakPolarHBondContact O-CB 3.37Å; K291-A295 PolarHBondContact O-N 2.61Å
292V98Very high96.6Very high1 Ų147.9 Ų47.91%0.00623%0.229CC..Hα-helixtrans-69.1-45.3177-176.50000110.6L180 L185 L193 V289 L290 H294 A295 F296L180-V292 HydrophobicContact CD2-CG1 3.96Å; L185-V292 HydrophobicContact CB-CG2 4.43Å; L185-V292 HydrophobicContact CD1-CG2 4.5Å; L185-V292 HydrophobicContact CD2-CG2 4.46Å; L193-V292 HydrophobicContact CB-CG1 4.36Å; L193-V292 HydrophobicContact CB-CG2 4.22Å; L193-V292 HydrophobicContact CD2-CG1 4.04Å; V289-V292 CarbonylContact O-C 3.59Å; V289-V292 WeakPolarHBondContact O-CA 3.46Å; V289-V292 WeakPolarHBondContact O-CB 3.47Å; V289-V292 PolarHBondContact O-N 3.17Å; L290-V292 VanDerWaalsContact C-N 3.33Å; V292-H294 PolarHBondContact O-N 3.36Å; V292-A295 WeakPolarHBondContact O-CB 3.42Å; V292-A295 PolarHBondContact O-N 3.12Å; V292-F296 HydrophobicContact CG1-CD2 4.1Å; V292-F296 HydrophobicContact CG1-CE1 4.22Å; V292-F296 HydrophobicContact CG1-CE2 3.47Å; V292-F296 VanDerWaalsContact CG1-CE2 3.47Å; V292-F296 HydrophobicContact CG1-CZ 3.54Å; V292-F296 WeakPolarHBondContact O-CG 3.39Å; V292-F296 PolarHBondContact O-N 3.36Å
293K98.3Very high96.5Very high39 Ų3946.5 Ų46.517%0.1722%0.221CC..Hα-helixtrans-52.8-53.2169.9179.9-157.6172.5-58.90110.9G233 Y238 V289 A295 F296 E297G233-K293 VanDerWaalsContact O-CE 3.26Å; G233-K293 WeakPolarHBondContact O-CE 3.25Å; G233-K293 VanDerWaalsContact O-CG 3.27Å; G233-K293 WeakPolarHBondContact O-CG 3.35Å; G233-K293 PolarHBondContact O-NZ 2.88Å; Y238-K293 HydrophobicContact CD2-CD 4.45Å; Y238-K293 HydrophobicContact CE2-CB 4.01Å; Y238-K293 HydrophobicContact CE2-CD 4.35Å; Y238-K293 HydrophobicContact CE2-CG 3.97Å; V289-K293 PolarHBondContact O-N 3.49Å; K293-A295 VanDerWaalsContact C-N 3.29Å; K293-A295 PolarHBondContact O-N 3.29Å; K293-F296 PolarHBondContact O-N 2.83Å; K293-F296 VanDerWaalsContact O-N 3.16Å; K293-E297 IonicContact NZ-OE1 2.78Å; K293-E297 PolarHBondContact NZ-OE1 3.41Å; K293-E297 VanDerWaalsContact NZ-OE1 3.1Å; K293-E297 IonicContact NZ-OE2 2.57Å; K293-E297 PolarHBondContact NZ-OE2 2.86Å; K293-E297 WeakPolarHBondContact O-CB 3.32Å; K293-E297 PolarHBondContact O-N 3.44Å
294H98.2Very high96.4Very high112 Ų11247.3 Ų47.352%0.51923%0.225SC..Hα-helixtrans-63.9-32.4-179-73.5-50.7000113.2L290 V292 E297 Y298L290-H294 PolarHBondContact O-CD2 2.86Å; L290-H294 PolarHBondContact O-N 3.31Å; V292-H294 PolarHBondContact O-N 3.36Å; H294-E297 IonicContact CE1-OE2 3.79Å; H294-E297 IonicContact ND1-OE2 2.81Å; H294-E297 PolarHBondContact ND1-OE2 3.39Å; H294-Y298 WeakPolarHBondContact O-CB 3.42Å; H294-Y298 PolarHBondContact O-N 2.61Å
295A98.3Very high96.3Very high12 Ų1247.8 Ų47.810%0.09923%0.231CC..Hα-helixtrans-64.8-46.6171.900000111.5F179 L185 K291 V292 K293 Y298 A299F179-A295 HydrophobicContact CE1-CB 3.97Å; F179-A295 HydrophobicContact CZ-CB 4.08Å; F179-A295 WeakPolarHBondContact CZ-O 3.3Å; L185-A295 HydrophobicContact CD1-CB 3.74Å; K291-A295 WeakPolarHBondContact O-CB 3.37Å; K291-A295 PolarHBondContact O-N 2.61Å; V292-A295 WeakPolarHBondContact O-CB 3.42Å; V292-A295 PolarHBondContact O-N 3.12Å; K293-A295 VanDerWaalsContact C-N 3.29Å; K293-A295 PolarHBondContact O-N 3.29Å; A295-Y298 PolarHBondContact O-N 3.28Å; A295-A299 WeakPolarHBondContact O-CB 3.32Å; A295-A299 PolarHBondContact O-N 3.22Å
296F98.7Very high96.1Very high0 Ų047.8 Ų47.80%023%0.226CC..Hα-helixtrans-62.4-41.9175.2-63-28.2000112.2L176 F179 L180 L193 L198 M201 F228 F229 V292 K293 A299 Y300L176-F296 HydrophobicContact CD2-CE1 4.49Å; F179-F296 HydrophobicContact CD1-CD1 4.16Å; F179-F296 AromaticContact CD1-CE1 3.95Å; F179-F296 HydrophobicContact CD1-CE1 3.95Å; F179-F296 AromaticContact CE1-CD1 3.56Å; F179-F296 HydrophobicContact CE1-CD1 3.56Å; F179-F296 AromaticContact CE1-CE1 3.77Å; F179-F296 HydrophobicContact CE1-CE1 3.77Å; F179-F296 HydrophobicContact CZ-CD1 4.26Å; L180-F296 HydrophobicContact CD2-CE1 4.03Å; L180-F296 HydrophobicContact CD2-CZ 4.25Å; L193-F296 HydrophobicContact CD2-CZ 4.46Å; L198-F296 HydrophobicContact CD1-CZ 4.48Å; M201-F296 HydrophobicContact CE-CE2 4.23Å; F228-F296 HydrophobicContact CE1-CE1 4.11Å; F228-F296 HydrophobicContact CE1-CE2 4.19Å; F228-F296 AromaticContact CE1-CZ 3.94Å; F228-F296 HydrophobicContact CE1-CZ 3.94Å; F228-F296 HydrophobicContact CZ-CZ 4.37Å; F229-F296 HydrophobicContact CD1-CB 4Å; F229-F296 AromaticContact CD1-CD1 3.63Å; F229-F296 HydrophobicContact CD1-CD1 3.63Å; F229-F296 HydrophobicContact CD1-CE1 4.45Å; F229-F296 HydrophobicContact CD1-CG 4.09Å; F229-F296 AromaticContact CE1-CD1 3.67Å; F229-F296 HydrophobicContact CE1-CD1 3.67Å; F229-F296 HydrophobicContact CE1-CE1 4.2Å; V292-F296 HydrophobicContact CG1-CD2 4.1Å; V292-F296 HydrophobicContact CG1-CE1 4.22Å; V292-F296 HydrophobicContact CG1-CE2 3.47Å; V292-F296 VanDerWaalsContact CG1-CE2 3.47Å; V292-F296 HydrophobicContact CG1-CZ 3.54Å; V292-F296 WeakPolarHBondContact O-CG 3.39Å; V292-F296 PolarHBondContact O-N 3.36Å; K293-F296 PolarHBondContact O-N 2.83Å; K293-F296 VanDerWaalsContact O-N 3.16Å; F296-A299 PolarHBondContact O-N 3.07Å; F296-Y300 PolarHBondContact O-N 3.35Å
297E98.5Very high95.8Very high47 Ų4748.3 Ų48.322%0.2223%0.229CC..Hα-helixtrans-60.5-44.8176.1-175.7165-135.300112.2R234 K293 H294 Y300 L301R234-E297 HydrophobicContact CG-CG 4.32Å; K293-E297 IonicContact NZ-OE1 2.78Å; K293-E297 PolarHBondContact NZ-OE1 3.41Å; K293-E297 VanDerWaalsContact NZ-OE1 3.1Å; K293-E297 IonicContact NZ-OE2 2.57Å; K293-E297 PolarHBondContact NZ-OE2 2.86Å; K293-E297 WeakPolarHBondContact O-CB 3.32Å; K293-E297 PolarHBondContact O-N 3.44Å; H294-E297 IonicContact CE1-OE2 3.79Å; H294-E297 IonicContact ND1-OE2 2.81Å; H294-E297 PolarHBondContact ND1-OE2 3.39Å; E297-Y300 PolarHBondContact O-N 3.5Å; E297-L301 HydrophobicContact CG-CD1 4.37Å; E297-L301 VanDerWaalsContact O-CG 3.28Å; E297-L301 WeakPolarHBondContact O-CG 3.37Å; E297-L301 PolarHBondContact O-N 3.07Å
298Y97.8Very high95.5Very high98 Ų9845.7 Ų45.738%0.38422%0.222SC..Hα-helixtrans-60.8-44.4172.6173-91.5000111.9H294 A295 L301 V302H294-Y298 WeakPolarHBondContact O-CB 3.42Å; H294-Y298 PolarHBondContact O-N 2.61Å; A295-Y298 PolarHBondContact O-N 3.28Å; Y298-L301 PolarHBondContact O-N 3.28Å; Y298-V302 HydrophobicContact CD1-CG2 4.31Å; Y298-V302 HydrophobicContact CD2-CG2 4.18Å; Y298-V302 HydrophobicContact CE1-CG2 3.89Å; Y298-V302 HydrophobicContact CE2-CG2 3.74Å; Y298-V302 HydrophobicContact CG-CG2 4.45Å; Y298-V302 WeakPolarHBondContact O-CG2 3.18Å; Y298-V302 PolarHBondContact O-N 3.33Å
299A97.9Very high95.1Very high0 Ų048.5 Ų48.50%023%0.234CC..Hα-helixtrans-64.3-42.1-179.600000112.4F179 F229 A295 F296 L303 V325F179-A299 HydrophobicContact CE2-CB 3.51Å; F179-A299 HydrophobicContact CZ-CB 3.71Å; F229-A299 HydrophobicContact CD1-CB 3.95Å; F229-A299 HydrophobicContact CD2-CB 3.76Å; F229-A299 HydrophobicContact CE1-CB 3.92Å; F229-A299 HydrophobicContact CE2-CB 3.73Å; F229-A299 HydrophobicContact CG-CB 3.88Å; F229-A299 HydrophobicContact CZ-CB 3.81Å; A295-A299 WeakPolarHBondContact O-CB 3.32Å; A295-A299 PolarHBondContact O-N 3.22Å; F296-A299 PolarHBondContact O-N 3.07Å; A299-L303 WeakPolarHBondContact O-CB 3.48Å; A299-L303 VanDerWaalsContact O-CG 3.3Å; A299-L303 WeakPolarHBondContact O-CG 3.28Å; A299-L303 PolarHBondContact O-N 3.22Å; A299-L303 VanDerWaalsContact O-N 3.13Å; A299-V325 HydrophobicContact CB-CB 4.34Å; A299-V325 HydrophobicContact CB-CG1 3.9Å
300Y98.1Very high94.1Very high26 Ų2652.5 Ų52.510%0.10226%0.26CS..Hα-helixtrans-56.1-56.9170.6174.3-95.7000110.7V226 E230 F296 E297 V302 L303 T304V226-Y300 HydrophobicContact CG1-CD2 4.01Å; V226-Y300 HydrophobicContact CG1-CE2 4.06Å; E230-Y300 HydrophobicContact CB-CD2 3.45Å; E230-Y300 VanDerWaalsContact CB-CD2 3.45Å; E230-Y300 HydrophobicContact CB-CE2 3.36Å; E230-Y300 HydrophobicContact CB-CG 4.32Å; E230-Y300 HydrophobicContact CG-CD2 3.82Å; E230-Y300 HydrophobicContact CG-CE1 4.38Å; E230-Y300 HydrophobicContact CG-CE2 3.33Å; E230-Y300 HydrophobicContact CG-CG 4.49Å; F296-Y300 PolarHBondContact O-N 3.35Å; E297-Y300 PolarHBondContact O-N 3.5Å; Y300-V302 PolarHBondContact O-N 3.32Å; Y300-L303 PolarHBondContact O-N 3.17Å; Y300-T304 HydrophobicContact CD1-CG2 4.32Å; Y300-T304 HydrophobicContact CD2-CG2 3.98Å; Y300-T304 HydrophobicContact CE1-CG2 3.94Å; Y300-T304 HydrophobicContact CE2-CG2 3.58Å; Y300-T304 HydrophobicContact CG-CG2 4.35Å; Y300-T304 PolarHBondContact O-N 3.19Å; Y300-T304 PolarHBondContact O-OG1 2.74Å
301L96.6Very high93Very high82 Ų8255.5 Ų55.543%0.42928%0.276SS..Hα-helixtrans-57.2-46.6-175-73.8169.6000112.7E297 Y298 T304 E305E297-L301 HydrophobicContact CG-CD1 4.37Å; E297-L301 VanDerWaalsContact O-CG 3.28Å; E297-L301 WeakPolarHBondContact O-CG 3.37Å; E297-L301 PolarHBondContact O-N 3.07Å; Y298-L301 PolarHBondContact O-N 3.28Å; L301-T304 WeakPolarHBondContact CA-OG1 3.48Å; L301-T304 PolarHBondContact O-N 2.64Å; L301-T304 PolarHBondContact O-OG1 3.2Å; L301-T304 VanDerWaalsContact O-OG1 3.06Å; L301-E305 WeakPolarHBondContact O-CB 3.3Å; L301-E305 PolarHBondContact O-N 2.98Å
302V93.7Very high91.5Very high32 Ų3251.1 Ų51.119%0.19426%0.264CS..Hα-helixtrans-66.8-40.8-179.1171.40000111.8Y298 Y300 V306 L324Y298-V302 HydrophobicContact CD1-CG2 4.31Å; Y298-V302 HydrophobicContact CD2-CG2 4.18Å; Y298-V302 HydrophobicContact CE1-CG2 3.89Å; Y298-V302 HydrophobicContact CE2-CG2 3.74Å; Y298-V302 HydrophobicContact CG-CG2 4.45Å; Y298-V302 WeakPolarHBondContact O-CG2 3.18Å; Y298-V302 PolarHBondContact O-N 3.33Å; Y300-V302 PolarHBondContact O-N 3.32Å; V302-V306 PolarHBondContact O-N 3.39Å; V302-L324 HydrophobicContact CG1-CB 3.77Å; V302-L324 HydrophobicContact CG1-CD1 4.07Å; V302-L324 HydrophobicContact CG1-CG 4.42Å
303L94.2Very high89.4Confident2 Ų258.6 Ų58.61%0.0130%0.299CS..Hα-helixtrans-67.3-46.7175.5-70.3172.6000110.9L32 V226 F229 A299 Y300 E305 V306 L307 L321 V325L32-L303 HydrophobicContact CD1-CD2 4.46Å; L32-L303 HydrophobicContact CD2-CD2 4.39Å; V226-L303 HydrophobicContact CG2-CB 4.17Å; V226-L303 HydrophobicContact CG2-CD1 3.98Å; F229-L303 HydrophobicContact CD2-CD1 4.01Å; F229-L303 HydrophobicContact CE2-CD1 4.03Å; A299-L303 WeakPolarHBondContact O-CB 3.48Å; A299-L303 VanDerWaalsContact O-CG 3.3Å; A299-L303 WeakPolarHBondContact O-CG 3.28Å; A299-L303 PolarHBondContact O-N 3.22Å; A299-L303 VanDerWaalsContact O-N 3.13Å; Y300-L303 PolarHBondContact O-N 3.17Å; L303-E305 VanDerWaalsContact C-N 3.35Å; L303-E305 PolarHBondContact O-N 2.87Å; L303-V306 PolarHBondContact O-N 3.3Å; L303-L307 HydrophobicContact CB-CD1 4.47Å; L303-L307 VanDerWaalsContact O-CB 3.3Å; L303-L307 WeakPolarHBondContact O-CB 3.11Å; L303-L307 WeakPolarHBondContact O-CD1 3.4Å; L303-L307 WeakPolarHBondContact O-CG 3.31Å; L303-L307 PolarHBondContact O-N 3.21Å; L303-L321 WeakPolarHBondContact CD2-O 3.41Å; L303-V325 HydrophobicContact CD1-CG1 4.27Å; L303-V325 HydrophobicContact CD1-CG2 4.22Å; L303-V325 HydrophobicContact CD2-CG1 4.3Å; L303-V325 HydrophobicContact CD2-CG2 4.28Å; L303-V325 HydrophobicContact CG-CG1 3.93Å; L303-V325 HydrophobicContact CG-CG2 4.43Å
304T93.8Very high87.3Confident19 Ų1959.4 Ų59.412%0.11731%0.308CS..Hα-helixtrans-63.7-38.3-179.851.60000112.8V226 Y300 L301 V306 L307 E308V226-T304 HydrophobicContact CG1-CG2 4.12Å; Y300-T304 HydrophobicContact CD1-CG2 4.32Å; Y300-T304 HydrophobicContact CD2-CG2 3.98Å; Y300-T304 HydrophobicContact CE1-CG2 3.94Å; Y300-T304 HydrophobicContact CE2-CG2 3.58Å; Y300-T304 HydrophobicContact CG-CG2 4.35Å; Y300-T304 PolarHBondContact O-N 3.19Å; Y300-T304 PolarHBondContact O-OG1 2.74Å; L301-T304 WeakPolarHBondContact CA-OG1 3.48Å; L301-T304 PolarHBondContact O-N 2.64Å; L301-T304 PolarHBondContact O-OG1 3.2Å; L301-T304 VanDerWaalsContact O-OG1 3.06Å; T304-V306 PolarHBondContact O-N 3.48Å; T304-L307 PolarHBondContact O-N 3.47Å; T304-E308 WeakPolarHBondContact O-CB 3.37Å; T304-E308 WeakPolarHBondContact O-CG 3.31Å; T304-E308 PolarHBondContact O-N 2.92Å
305E91.4Very high84.8Confident99 Ų9959 Ų5946%0.46332%0.317SS..Hα-helixtrans-58.3-50.8178.1-175.561.9-139.400111.2L301 L303 E308 N309L301-E305 WeakPolarHBondContact O-CB 3.3Å; L301-E305 PolarHBondContact O-N 2.98Å; L303-E305 VanDerWaalsContact C-N 3.35Å; L303-E305 PolarHBondContact O-N 2.87Å; E305-E308 PolarHBondContact O-N 2.91Å; E305-N309 WeakPolarHBondContact O-CB 3.42Å; E305-N309 PolarHBondContact O-N 3.14Å; E305-N309 PolarHBondContact OE1-ND2 3.23Å
306V88.7Confident82.5Confident25 Ų2564.9 Ų64.915%0.15234%0.337CS..Hα-helixtrans-71.8-31.5-179.5-177.90000112V302 L303 T304 L321 L324V302-V306 PolarHBondContact O-N 3.39Å; L303-V306 PolarHBondContact O-N 3.3Å; T304-V306 PolarHBondContact O-N 3.48Å; V306-L321 HydrophobicContact CB-CD2 4.3Å; V306-L321 HydrophobicContact CG1-CD2 3.52Å; V306-L324 HydrophobicContact CB-CD1 4.35Å; V306-L324 HydrophobicContact CG2-CD1 3.81Å
307L89.6Confident80.3Confident16 Ų1672.3 Ų72.38%0.08438%0.377CS..Hα-helixtrans-71.3-34.4175.6-70.2172.3000113G28 L29 V226 L303 T304 L321 F518G28-L307 VanDerWaalsContact C-CD2 3.44Å; G28-L307 VanDerWaalsContact CA-CD2 3.43Å; L29-L307 HydrophobicContact CD2-CD1 3.74Å; L29-L307 HydrophobicContact CD2-CD2 4.5Å; L29-L307 HydrophobicContact CG-CD1 4.21Å; L29-L307 HydrophobicContact CG-CD2 4.32Å; V226-L307 HydrophobicContact CG2-CD1 4.07Å; L303-L307 HydrophobicContact CB-CD1 4.47Å; L303-L307 VanDerWaalsContact O-CB 3.3Å; L303-L307 WeakPolarHBondContact O-CB 3.11Å; L303-L307 WeakPolarHBondContact O-CD1 3.4Å; L303-L307 WeakPolarHBondContact O-CG 3.31Å; L303-L307 PolarHBondContact O-N 3.21Å; T304-L307 PolarHBondContact O-N 3.47Å; L307-L321 HydrophobicContact CD2-CD1 4.39Å; L307-F518 HydrophobicContact CB-CE1 4.07Å; L307-F518 HydrophobicContact CB-CZ 4.09Å; L307-F518 WeakPolarHBondContact O-CE1 3.18Å
308E87.9Confident78.3Confident100 Ų10071.5 Ų71.547%0.46738%0.381SS..Hα-helixtrans-86.4-33.4179.3-68.8-172.5165.600112.4T304 E305 P310 F518T304-E308 WeakPolarHBondContact O-CB 3.37Å; T304-E308 WeakPolarHBondContact O-CG 3.31Å; T304-E308 PolarHBondContact O-N 2.92Å; E305-E308 PolarHBondContact O-N 2.91Å; E308-P310 VanDerWaalsContact C-CD 3.41Å; E308-P310 VanDerWaalsContact O-CD 3.31Å; E308-P310 WeakPolarHBondContact O-CD 3.33Å; E308-F518 HydrophobicContact CG-CE1 4.34Å; E308-F518 HydrophobicContact CG-CZ 4.41Å
309N85.5Confident76.9Confident73 Ų7373.1 Ų73.139%0.3940%0.396SS..  trans-119.365.7-179.4-61-49000112E305 D311 S312E305-N309 WeakPolarHBondContact O-CB 3.42Å; E305-N309 PolarHBondContact O-N 3.14Å; E305-N309 PolarHBondContact OE1-ND2 3.23Å; N309-D311 PolarHBondContact O-N 3.09Å; N309-S312 WeakPolarHBondContact CB-OG 3.33Å; N309-S312 WeakPolarHBondContact O-CB 3.39Å; N309-S312 PolarHBondContact O-N 3.48Å; N309-S312 PolarHBondContact O-OG 3.1Å
310P76.2Confident76.4Confident84 Ų8473.5 Ų73.555%0.54540%0.399SS..THydrogen-bonded Turntrans-63.3-25.4-178.426.7-35.9000113.7E308 S312E308-P310 VanDerWaalsContact C-CD 3.41Å; E308-P310 VanDerWaalsContact O-CD 3.31Å; E308-P310 WeakPolarHBondContact O-CD 3.33Å; P310-S312 PolarHBondContact O-N 2.89Å
311D73.4Confident76.1Confident154 Ų15473.7 Ų73.782%0.82440%0.401SS*.THydrogen-bonded Turntrans-74.1-9.5174-60.2-43000112.7N309 E313N309-D311 PolarHBondContact O-N 3.09Å; D311-E313 PolarHBondContact O-N 3.25Å
312S66.5Low76Confident52 Ų5269.8 Ų69.836%0.36438%0.381SS..SBendtrans-84.896.3175.371.20000110.4N309 P310 P314N309-S312 WeakPolarHBondContact CB-OG 3.33Å; N309-S312 WeakPolarHBondContact O-CB 3.39Å; N309-S312 PolarHBondContact O-N 3.48Å; N309-S312 PolarHBondContact O-OG 3.1Å; P310-S312 PolarHBondContact O-N 2.89Å; S312-P314 WeakPolarHBondContact O-CD 3.3Å
313E54.7Low75.9Confident159 Ų15968.7 Ų68.774%0.74338%0.376SS*.  trans-29.4100.7175.9-85.5-79.1159.700113.9D311 S315D311-E313 PolarHBondContact O-N 3.25Å; E313-S315 PolarHBondContact O-N 3.24Å; E313-S315 PolarHBondContact O-OG 3.2Å
314P53.1Low75.8Confident55 Ų5570.1 Ų70.136%0.35738%0.384SS..  trans-75.376.7167.132.3-30.7000107.2S312 R316S312-P314 WeakPolarHBondContact O-CD 3.3Å; P314-R316 PolarHBondContact O-N 3.45Å
315S45.5Very low75.9Confident103 Ų10369.2 Ų69.272%0.7238%0.378SS*.  trans-69.671.6-175.238.80000112E313E313-S315 PolarHBondContact O-N 3.24Å; E313-S315 PolarHBondContact O-OG 3.2Å
316R51.2Low76Confident136 Ų13664.5 Ų64.551%0.51336%0.356SS..SBendtrans-143.9138.5168.6-70.5-170.1172.2179.7-1.2108.9P314 G318P314-R316 PolarHBondContact O-N 3.45Å; R316-G318 PolarHBondContact O-N 3.12Å
317D51Low76.2Confident157 Ų15767.3 Ų67.384%0.8437%0.368SS*.SBendtrans-61.5100.5-172.3-63.1-61.2000113.7H13H13-D317 PolarHBondContact ND1-O 3.14Å
318G57.4Low76.3Confident29 Ų2966.8 Ų66.830%0.29937%0.365SS..SBendtrans109.7119.8176.100000112.6R316 S320R316-G318 PolarHBondContact O-N 3.12Å; G318-S320 PolarHBondContact O-N 2.87Å
319N68.3Low76.5Confident132 Ų13264.1 Ų64.171%0.70636%0.358SS*.  trans-69.855.4-173.1-66.2-0.6000114.1
320S88Confident76.7Confident9 Ų967.3 Ų67.36%0.06337%0.368CS..  trans-99.799.2-176.1-1790000110.1E35 G318 L322 G323 L324E35-S320 WeakPolarHBondContact OE1-CB 3.48Å; E35-S320 PolarHBondContact OE1-OG 3.06Å; G318-S320 PolarHBondContact O-N 2.87Å; S320-L322 VanDerWaalsContact C-N 3.26Å; S320-L322 PolarHBondContact O-N 3.24Å; S320-G323 WeakPolarHBondContact O-CA 3.47Å; S320-G323 PolarHBondContact O-N 2.8Å; S320-G323 VanDerWaalsContact O-N 3.09Å; S320-G323 WeakPolarHBondContact OG-CA 3.26Å; S320-G323 PolarHBondContact OG-N 2.69Å; S320-L324 PolarHBondContact O-N 3.02Å
321L91.5Very high77.5Confident29 Ų2969.2 Ų69.215%0.15237%0.37CS..THydrogen-bonded Turntrans-60-40.9175.9-69.2177.3000110.7L32 E35 L303 V306 L307 G323 L324L32-L321 HydrophobicContact CB-CD1 4.15Å; L32-L321 HydrophobicContact CD1-CB 4.07Å; E35-L321 PolarHBondContact OE2-N 2.84Å; L303-L321 WeakPolarHBondContact CD2-O 3.41Å; V306-L321 HydrophobicContact CB-CD2 4.3Å; V306-L321 HydrophobicContact CG1-CD2 3.52Å; L307-L321 HydrophobicContact CD2-CD1 4.39Å; L321-G323 VanDerWaalsContact C-N 3.35Å; L321-L324 WeakPolarHBondContact O-CB 3.29Å; L321-L324 PolarHBondContact O-N 3.46Å
322L94.3Very high78.4Confident0 Ų062.4 Ų62.40%033%0.334CS..G310 helixtrans-67.9-36.6174.6-168.259000111.5W18 L32 E35 L36 F39 L225 S320 L324 V325 I326W18-L322 HydrophobicContact CZ2-CB 4.26Å; W18-L322 HydrophobicContact CZ2-CD2 4.19Å; W18-L322 HydrophobicContact CZ2-CG 4.2Å; L32-L322 HydrophobicContact CD1-CB 4.28Å; L32-L322 HydrophobicContact CD1-CD1 4.36Å; E35-L322 VanDerWaalsContact CD-CB 3.42Å; E35-L322 HydrophobicContact CG-CB 3.72Å; E35-L322 HydrophobicContact CG-CD2 4.12Å; E35-L322 VanDerWaalsContact OE2-CB 3.3Å; E35-L322 WeakPolarHBondContact OE2-CB 3.39Å; E35-L322 PolarHBondContact OE2-N 3.35Å; L36-L322 HydrophobicContact CD2-CD1 3.61Å; L36-L322 HydrophobicContact CD2-CD2 3.83Å; L36-L322 HydrophobicContact CD2-CG 4.38Å; L36-L322 HydrophobicContact CG-CD1 4.3Å; L36-L322 HydrophobicContact CG-CD2 4.33Å; F39-L322 HydrophobicContact CB-CD2 3.5Å; F39-L322 VanDerWaalsContact CB-CD2 3.5Å; F39-L322 HydrophobicContact CD1-CD2 4.48Å; F39-L322 HydrophobicContact CD2-CD2 4.14Å; F39-L322 HydrophobicContact CG-CD2 3.78Å; L225-L322 HydrophobicContact CD2-CD1 4.19Å; S320-L322 VanDerWaalsContact C-N 3.26Å; S320-L322 PolarHBondContact O-N 3.24Å; L322-L324 PolarHBondContact O-N 3.48Å; L322-V325 HydrophobicContact CD1-CG2 4.23Å; L322-V325 VanDerWaalsContact O-CG2 3.3Å; L322-V325 WeakPolarHBondContact O-CG2 3.26Å; L322-V325 PolarHBondContact O-N 2.79Å; L322-I326 HydrophobicContact CD1-CB 4.31Å; L322-I326 HydrophobicContact CD1-CD1 3.95Å; L322-I326 HydrophobicContact CD1-CG1 4.35Å; L322-I326 HydrophobicContact CG-CB 4.2Å; L322-I326 PolarHBondContact O-N 3.19Å
323G92.7Very high79.6Confident9 Ų961.6 Ų61.69%0.09333%0.326CS..G310 helixtrans-59.9-22.1177.800000115.1S320 L321 V325 I326 Q327S320-G323 WeakPolarHBondContact O-CA 3.47Å; S320-G323 PolarHBondContact O-N 2.8Å; S320-G323 VanDerWaalsContact O-N 3.09Å; S320-G323 WeakPolarHBondContact OG-CA 3.26Å; S320-G323 PolarHBondContact OG-N 2.69Å; L321-G323 VanDerWaalsContact C-N 3.35Å; G323-V325 VanDerWaalsContact C-N 3.31Å; G323-I326 CarbonylContact C-O 3.14Å; G323-I326 VanDerWaalsContact CA-O 3.26Å; G323-I326 WeakPolarHBondContact CA-O 3.3Å; G323-Q327 PolarHBondContact O-NE2 3.27Å
324L91.7Very high81.4Confident32 Ų3257.6 Ų57.617%0.16831%0.308CS..G310 helixtrans-66.3-32.4172.2-59.7175000112.4V302 V306 S320 L321 L322V302-L324 HydrophobicContact CG1-CB 3.77Å; V302-L324 HydrophobicContact CG1-CD1 4.07Å; V302-L324 HydrophobicContact CG1-CG 4.42Å; V306-L324 HydrophobicContact CB-CD1 4.35Å; V306-L324 HydrophobicContact CG2-CD1 3.81Å; S320-L324 PolarHBondContact O-N 3.02Å; L321-L324 WeakPolarHBondContact O-CB 3.29Å; L321-L324 PolarHBondContact O-N 3.46Å; L322-L324 PolarHBondContact O-N 3.48Å
325V94.5Very high83.3Confident1 Ų157 Ų571%0.00630%0.299CS..THydrogen-bonded Turntrans-116.9-24.6-172.9-65.50000113.8F179 Q182 R183 A299 L303 L322 G323F179-V325 HydrophobicContact CD2-CB 4.43Å; F179-V325 WeakPolarHBondContact CD2-O 3.07Å; F179-V325 HydrophobicContact CE2-CB 4.23Å; Q182-V325 PolarHBondContact NE2-O 3.49Å; Q182-V325 VanDerWaalsContact NE2-O 3.13Å; R183-V325 PolarHBondContact NH1-O 3.42Å; R183-V325 PolarHBondContact NH2-O 2.85Å; A299-V325 HydrophobicContact CB-CB 4.34Å; A299-V325 HydrophobicContact CB-CG1 3.9Å; L303-V325 HydrophobicContact CD1-CG1 4.27Å; L303-V325 HydrophobicContact CD1-CG2 4.22Å; L303-V325 HydrophobicContact CD2-CG1 4.3Å; L303-V325 HydrophobicContact CD2-CG2 4.28Å; L303-V325 HydrophobicContact CG-CG1 3.93Å; L303-V325 HydrophobicContact CG-CG2 4.43Å; L322-V325 HydrophobicContact CD1-CG2 4.23Å; L322-V325 VanDerWaalsContact O-CG2 3.3Å; L322-V325 WeakPolarHBondContact O-CG2 3.26Å; L322-V325 PolarHBondContact O-N 2.79Å; G323-V325 VanDerWaalsContact C-N 3.31Å
326I94.3Very high85.6Confident0 Ų052.2 Ų52.20%027%0.265CS..  trans-125.9137.3-179.8-72.7-177.6000110.3W18 F39 V175 Q178 F179 L322 G323W18-I326 HydrophobicContact CH2-CG2 4.02Å; W18-I326 WeakPolarHBondContact CH2-O 3.3Å; W18-I326 HydrophobicContact CZ3-CG2 4.35Å; F39-I326 HydrophobicContact CD2-CG2 4.36Å; F39-I326 HydrophobicContact CE2-CG2 3.84Å; F39-I326 HydrophobicContact CZ-CG2 4.35Å; V175-I326 HydrophobicContact CB-CD1 4.4Å; V175-I326 HydrophobicContact CG1-CD1 3.5Å; V175-I326 VanDerWaalsContact CG1-CD1 3.5Å; V175-I326 VanDerWaalsContact O-CD1 3.25Å; V175-I326 WeakPolarHBondContact O-CD1 3.41Å; Q178-I326 HydrophobicContact CB-CG2 4.48Å; Q178-I326 HydrophobicContact CG-CG2 3.75Å; F179-I326 HydrophobicContact CB-CD1 4.04Å; F179-I326 HydrophobicContact CB-CG1 3.96Å; F179-I326 HydrophobicContact CD2-CG1 4.09Å; L322-I326 HydrophobicContact CD1-CB 4.31Å; L322-I326 HydrophobicContact CD1-CD1 3.95Å; L322-I326 HydrophobicContact CD1-CG1 4.35Å; L322-I326 HydrophobicContact CG-CB 4.2Å; L322-I326 PolarHBondContact O-N 3.19Å; G323-I326 CarbonylContact C-O 3.14Å; G323-I326 VanDerWaalsContact CA-O 3.26Å; G323-I326 WeakPolarHBondContact CA-O 3.3Å
327Q92.6Very high87.5Confident83 Ų8349.6 Ų49.639%0.38826%0.255SS..  trans-143.2150.2171.4-65.8-175-5.500109.4G15 Q178 Q182 G323G15-Q327 CarbonylContact O-C 3.59Å; G15-Q327 WeakPolarHBondContact O-CA 3.47Å; Q178-Q327 PolarHBondContact NE2-O 3.16Å; Q182-Q327 PolarHBondContact OE1-O 2.84Å; G323-Q327 PolarHBondContact O-NE2 3.27Å
328V92.3Very high89.5Confident5 Ų546.3 Ų46.33%0.0323%0.231CC..  trans-109.7132.7174.51760000109.6G15 P17 W18 F39 W42 I43 Q178 T332 V333G15-V328 WeakPolarHBondContact CA-O 3.46Å; G15-V328 PolarHBondContact O-N 3.18Å; P17-V328 HydrophobicContact CG-CB 3.99Å; P17-V328 HydrophobicContact CG-CG1 4.32Å; P17-V328 HydrophobicContact CG-CG2 4.48Å; W18-V328 HydrophobicContact CE3-CG2 4.37Å; W18-V328 HydrophobicContact CZ3-CG2 3.93Å; F39-V328 HydrophobicContact CE2-CG2 4.31Å; W42-V328 HydrophobicContact CH2-CB 4.49Å; W42-V328 HydrophobicContact CH2-CG1 3.75Å; W42-V328 HydrophobicContact CZ3-CB 4.33Å; W42-V328 HydrophobicContact CZ3-CG1 3.88Å; W42-V328 HydrophobicContact CZ3-CG2 3.9Å; I43-V328 HydrophobicContact CD1-CG2 4.46Å; Q178-V328 HydrophobicContact CG-CG2 4.26Å; V328-T332 HydrophobicContact CG1-CG2 3.63Å; V328-V333 HydrophobicContact CG1-CG2 4.19Å
329S91.3Very high91.2Very high45 Ų4545.1 Ų45.132%0.31522%0.218SC..  trans-69.9153.1-175.194.70000112.3E331 T332 V333S329-E331 VanDerWaalsContact C-N 3.27Å; S329-E331 WeakPolarHBondContact CB-OE2 3.3Å; S329-E331 PolarHBondContact O-N 2.91Å; S329-E331 PolarHBondContact OG-OE2 3.19Å; S329-T332 WeakPolarHBondContact O-CB 3.4Å; S329-T332 PolarHBondContact O-N 2.99Å; S329-T332 VanDerWaalsContact O-N 3.08Å; S329-T332 PolarHBondContact OG-N 3.25Å; S329-T332 PolarHBondContact OG-OG1 3.42Å; S329-T332 VanDerWaalsContact OG-OG1 3.05Å; S329-V333 PolarHBondContact O-N 3.45Å; S329-V333 VanDerWaalsContact O-N 3.15Å
330K91Very high92.3Very high139 Ų13942.2 Ų42.260%0.60420%0.2SC*.Hα-helixtrans-59.8-40.2178.5-176.3172.9-179.9-80.60111.4T332 V333 E334K330-T332 VanDerWaalsContact C-N 3.27Å; K330-T332 PolarHBondContact O-N 2.94Å; K330-V333 PolarHBondContact O-N 2.99Å; K330-E334 WeakPolarHBondContact CE-OE1 3.44Å; K330-E334 HydrophobicContact CG-CG 4.4Å; K330-E334 IonicContact NZ-OE1 3.96Å; K330-E334 PolarHBondContact NZ-OE1 2.99Å; K330-E334 IonicContact NZ-OE2 3.06Å; K330-E334 WeakPolarHBondContact O-CB 3.44Å; K330-E334 VanDerWaalsContact O-CG 3.31Å; K330-E334 WeakPolarHBondContact O-CG 3.39Å; K330-E334 PolarHBondContact O-N 2.77Å
331E91.6Very high92.4Very high124 Ų12446.7 Ų46.758%0.57922%0.223SC*.Hα-helixtrans-62.8-35.1177.4-5071.4-155.500111.2S329 Y335S329-E331 VanDerWaalsContact C-N 3.27Å; S329-E331 WeakPolarHBondContact CB-OE2 3.3Å; S329-E331 PolarHBondContact O-N 2.91Å; S329-E331 PolarHBondContact OG-OE2 3.19Å; E331-Y335 VanDerWaalsContact O-CB 3.24Å; E331-Y335 WeakPolarHBondContact O-CB 3.36Å; E331-Y335 PolarHBondContact O-N 2.99Å
332T92.4Very high92.5Very high11 Ų1149.4 Ų49.47%0.06724%0.237CC..Hα-helixtrans-65.4-50.2173.9-58.10000110P86 T87 V328 S329 K330 E334 Y335 R336P86-T332 HydrophobicContact CB-CG2 4.43Å; T87-T332 HydrophobicContact CG2-CG2 4.13Å; V328-T332 HydrophobicContact CG1-CG2 3.63Å; S329-T332 WeakPolarHBondContact O-CB 3.4Å; S329-T332 PolarHBondContact O-N 2.99Å; S329-T332 VanDerWaalsContact O-N 3.08Å; S329-T332 PolarHBondContact OG-N 3.25Å; S329-T332 PolarHBondContact OG-OG1 3.42Å; S329-T332 VanDerWaalsContact OG-OG1 3.05Å; K330-T332 VanDerWaalsContact C-N 3.27Å; K330-T332 PolarHBondContact O-N 2.94Å; T332-E334 VanDerWaalsContact C-N 3.33Å; T332-E334 PolarHBondContact O-N 2.86Å; T332-Y335 PolarHBondContact O-N 3.17Å; T332-R336 WeakPolarHBondContact O-CG 3.3Å; T332-R336 PolarHBondContact O-N 3.16Å; T332-R336 VanDerWaalsContact O-N 3.12Å
333V92.3Very high92.4Very high35 Ų3550.1 Ų50.121%0.21224%0.241CC..Hα-helixtrans-59.2-44.2177.7-179.20000111.4P17 W42 V328 S329 K330 R336 R337P17-V333 HydrophobicContact CB-CG2 4Å; P17-V333 HydrophobicContact CG-CG2 3.86Å; W42-V333 HydrophobicContact CH2-CG2 4.22Å; W42-V333 HydrophobicContact CZ2-CG2 4.18Å; V328-V333 HydrophobicContact CG1-CG2 4.19Å; S329-V333 PolarHBondContact O-N 3.45Å; S329-V333 VanDerWaalsContact O-N 3.15Å; K330-V333 PolarHBondContact O-N 2.99Å; V333-R336 PolarHBondContact O-N 2.86Å; V333-R337 PolarHBondContact O-N 3.19Å; V333-R337 VanDerWaalsContact O-N 3.09Å
334E92Very high92.1Very high76 Ų7650.1 Ų50.136%0.35524%0.239SC..Hα-helixtrans-64-41.2177.7-73.3174.4162.500112.9K330 T332 R336 R337 W338K330-E334 WeakPolarHBondContact CE-OE1 3.44Å; K330-E334 HydrophobicContact CG-CG 4.4Å; K330-E334 IonicContact NZ-OE1 3.96Å; K330-E334 PolarHBondContact NZ-OE1 2.99Å; K330-E334 IonicContact NZ-OE2 3.06Å; K330-E334 WeakPolarHBondContact O-CB 3.44Å; K330-E334 VanDerWaalsContact O-CG 3.31Å; K330-E334 WeakPolarHBondContact O-CG 3.39Å; K330-E334 PolarHBondContact O-N 2.77Å; T332-E334 VanDerWaalsContact C-N 3.33Å; T332-E334 PolarHBondContact O-N 2.86Å; E334-R336 PolarHBondContact O-N 3.29Å; E334-R337 PolarHBondContact O-N 3.09Å; E334-W338 WeakPolarHBondContact O-CB 3.46Å; E334-W338 PolarHBondContact O-N 2.78Å
335Y93.2Very high91.8Very high43 Ų4352.8 Ų52.817%0.16927%0.266CS..Hα-helixtrans-61.9-42.2175.7174.9-108000112T87 T139 K140 V141 E331 T332 W338 I339T87-Y335 HydrophobicContact CG2-CD1 4.11Å; T139-Y335 PolarHBondContact O-OH 2.95Å; K140-Y335 HydrophobicContact CB-CE2 4.33Å; V141-Y335 WeakPolarHBondContact CG2-OH 3.33Å; E331-Y335 VanDerWaalsContact O-CB 3.24Å; E331-Y335 WeakPolarHBondContact O-CB 3.36Å; E331-Y335 PolarHBondContact O-N 2.99Å; T332-Y335 PolarHBondContact O-N 3.17Å; Y335-W338 HydrophobicContact CD2-CE3 4.12Å; Y335-W338 HydrophobicContact CE2-CE3 4.09Å; Y335-W338 HydrophobicContact CE2-CZ3 4.06Å; Y335-W338 PolarHBondContact O-N 3.31Å; Y335-I339 HydrophobicContact CD1-CG1 4.45Å; Y335-I339 HydrophobicContact CD2-CG1 4.34Å; Y335-I339 HydrophobicContact CE1-CG1 3.99Å; Y335-I339 HydrophobicContact CE2-CD1 4Å; Y335-I339 HydrophobicContact CE2-CG1 3.86Å; Y335-I339 WeakPolarHBondContact O-CG1 3.45Å; Y335-I339 PolarHBondContact O-N 3.11Å
336R93.3Very high91.1Very high2 Ų258.1 Ų58.11%0.00829%0.286CS..Hα-helixtrans-65-43.6177.7-59.6-170.482.3179.5-0.1111.9F5 W42 L44 E49 P86 T332 V333 E334 I339 H340F5-R336 HydrophobicContact CE1-CB 3.65Å; F5-R336 HydrophobicContact CZ-CB 3.78Å; F5-R336 HydrophobicContact CZ-CG 4.48Å; W42-R336 PolarHBondContact O-NH1 3.44Å; L44-R336 PolarHBondContact O-NH2 3.29Å; E49-R336 VanDerWaalsContact OE1-CG 3.26Å; E49-R336 WeakPolarHBondContact OE1-CG 3.5Å; E49-R336 IonicContact OE1-CZ 2.71Å; E49-R336 IonicContact OE1-NE 2.97Å; E49-R336 PolarHBondContact OE1-NE 2.83Å; E49-R336 IonicContact OE1-NH2 3.31Å; E49-R336 PolarHBondContact OE1-NH2 3.09Å; E49-R336 IonicContact OE2-CZ 3.11Å; E49-R336 IonicContact OE2-NE 2.7Å; E49-R336 IonicContact OE2-NH2 2.66Å; E49-R336 PolarHBondContact OE2-NH2 3.44Å; P86-R336 HydrophobicContact CB-CG 3.8Å; P86-R336 HydrophobicContact CG-CG 4.34Å; P86-R336 VanDerWaalsContact CG-CZ 3.46Å; T332-R336 WeakPolarHBondContact O-CG 3.3Å; T332-R336 PolarHBondContact O-N 3.16Å; T332-R336 VanDerWaalsContact O-N 3.12Å; V333-R336 PolarHBondContact O-N 2.86Å; E334-R336 PolarHBondContact O-N 3.29Å; R336-I339 PolarHBondContact O-N 3.28Å; R336-H340 PolarHBondContact O-N 3.33Å
337R91.2Very high90.5Very high81 Ų8158.2 Ų58.231%0.30629%0.286SS..Hα-helixtrans-59-47.1173-165.6-166.3-60.3108-1.3110.9E7 V333 E334 I339 H340 D341E7-R337 IonicContact OE1-CZ 2.74Å; E7-R337 IonicContact OE1-NE 3.7Å; E7-R337 PolarHBondContact OE1-NE 2.88Å; E7-R337 IonicContact OE1-NH2 2.64Å; E7-R337 PolarHBondContact OE1-NH2 2.94Å; V333-R337 PolarHBondContact O-N 3.19Å; V333-R337 VanDerWaalsContact O-N 3.09Å; E334-R337 PolarHBondContact O-N 3.09Å; R337-I339 PolarHBondContact O-N 3.3Å; R337-H340 WeakPolarHBondContact O-CB 3.44Å; R337-H340 PolarHBondContact O-N 3.5Å; R337-H340 VanDerWaalsContact O-N 3.17Å; R337-D341 PolarHBondContact O-N 2.75Å
338W93.9Very high89.8Confident88 Ų8857.2 Ų57.233%0.33328%0.284SS..Hα-helixtrans-61.6-41.6178.217785.5000112.8E138 T139 K140 E334 Y335 D341 N342 F343E138-W338 WeakPolarHBondContact O-CH2 3.09Å; T139-W338 WeakPolarHBondContact O-CZ3 3.22Å; K140-W338 HydrophobicContact CG-CH2 4.18Å; K140-W338 HydrophobicContact CG-CZ3 4.46Å; E334-W338 WeakPolarHBondContact O-CB 3.46Å; E334-W338 PolarHBondContact O-N 2.78Å; Y335-W338 HydrophobicContact CD2-CE3 4.12Å; Y335-W338 HydrophobicContact CE2-CE3 4.09Å; Y335-W338 HydrophobicContact CE2-CZ3 4.06Å; Y335-W338 PolarHBondContact O-N 3.31Å; W338-D341 PolarHBondContact O-N 3.06Å; W338-N342 PolarHBondContact NE1-ND2 2.92Å; W338-N342 WeakPolarHBondContact O-CB 3.48Å; W338-N342 PolarHBondContact O-N 3Å; W338-N342 PolarHBondContact O-ND2 2.9Å; W338-F343 AromaticContact CH2-CE2 3.96Å; W338-F343 HydrophobicContact CH2-CE2 3.96Å; W338-F343 HydrophobicContact CH2-CZ 4.44Å; W338-F343 HydrophobicContact CZ3-CE2 4.09Å
339I92.9Very high89Confident3 Ų361.3 Ų61.32%0.01531%0.31CS..Hα-helixtrans-61-45.1173.1-71.7-71000111V48 E49 V52 Y335 R336 R337 F343V48-I339 HydrophobicContact CG1-CG2 4.21Å; E49-I339 HydrophobicContact CG-CB 4.4Å; E49-I339 HydrophobicContact CG-CG2 3.67Å; V52-I339 HydrophobicContact CG1-CD1 4.29Å; V52-I339 HydrophobicContact CG2-CG2 4.46Å; Y335-I339 HydrophobicContact CD1-CG1 4.45Å; Y335-I339 HydrophobicContact CD2-CG1 4.34Å; Y335-I339 HydrophobicContact CE1-CG1 3.99Å; Y335-I339 HydrophobicContact CE2-CD1 4Å; Y335-I339 HydrophobicContact CE2-CG1 3.86Å; Y335-I339 WeakPolarHBondContact O-CG1 3.45Å; Y335-I339 PolarHBondContact O-N 3.11Å; R336-I339 PolarHBondContact O-N 3.28Å; R337-I339 PolarHBondContact O-N 3.3Å; I339-F343 HydrophobicContact CD1-CD2 4.19Å; I339-F343 HydrophobicContact CD1-CE2 4.1Å; I339-F343 WeakPolarHBondContact O-CB 3.33Å; I339-F343 WeakPolarHBondContact O-CD2 3.4Å; I339-F343 PolarHBondContact O-N 3.28Å; I339-F343 VanDerWaalsContact O-N 3.14Å
340H90.3Very high87.9Confident72 Ų7261.4 Ų61.433%0.33331%0.307SS..Hα-helixtrans-57.8-56175.6175.7-86.7000110.8R336 R337 N342 F343 S344R336-H340 PolarHBondContact O-N 3.33Å; R337-H340 WeakPolarHBondContact O-CB 3.44Å; R337-H340 PolarHBondContact O-N 3.5Å; R337-H340 VanDerWaalsContact O-N 3.17Å; H340-N342 VanDerWaalsContact C-N 3.33Å; H340-N342 PolarHBondContact O-N 2.63Å; H340-F343 PolarHBondContact O-N 3.17Å; H340-S344 PolarHBondContact CD2-OG 2.73Å; H340-S344 PolarHBondContact NE2-OG 3.2Å; H340-S344 VanDerWaalsContact NE2-OG 3.16Å; H340-S344 WeakPolarHBondContact O-CB 3.43Å; H340-S344 PolarHBondContact O-N 3.24Å; H340-S344 PolarHBondContact O-OG 3Å
341D91.5Very high86.6Confident103 Ų10356.9 Ų56.955%0.55129%0.291SS*.Hα-helixtrans-67.8-31.1-170-60.9-15.7000113.3R337 W338R337-D341 PolarHBondContact O-N 2.75Å; W338-D341 PolarHBondContact O-N 3.06Å
342N92.6Very high84.7Confident85 Ų8557.9 Ų57.946%0.45530%0.3SS..Hα-helixtrans-89.6-23.1-178.3-70.8-98.8000113.7W338 H340W338-N342 PolarHBondContact NE1-ND2 2.92Å; W338-N342 WeakPolarHBondContact O-CB 3.48Å; W338-N342 PolarHBondContact O-N 3Å; W338-N342 PolarHBondContact O-ND2 2.9Å; H340-N342 VanDerWaalsContact C-N 3.33Å; H340-N342 PolarHBondContact O-N 2.63Å
343F92Very high82.5Confident16 Ų1661.4 Ų61.47%0.0732%0.318CS..Hα-helixtrans-118.8-23.8-172.9-60.6-88.3000114.4V48 V52 T139 W338 I339 H340 A345 R346 V347V48-F343 HydrophobicContact CG1-CB 3.97Å; V52-F343 HydrophobicContact CG2-CB 3.68Å; V52-F343 HydrophobicContact CG2-CD1 3.9Å; V52-F343 HydrophobicContact CG2-CD2 4.26Å; V52-F343 HydrophobicContact CG2-CG 3.67Å; T139-F343 HydrophobicContact CG2-CE1 3.83Å; T139-F343 HydrophobicContact CG2-CE2 4.45Å; T139-F343 HydrophobicContact CG2-CZ 3.66Å; W338-F343 AromaticContact CH2-CE2 3.96Å; W338-F343 HydrophobicContact CH2-CE2 3.96Å; W338-F343 HydrophobicContact CH2-CZ 4.44Å; W338-F343 HydrophobicContact CZ3-CE2 4.09Å; I339-F343 HydrophobicContact CD1-CD2 4.19Å; I339-F343 HydrophobicContact CD1-CE2 4.1Å; I339-F343 WeakPolarHBondContact O-CB 3.33Å; I339-F343 WeakPolarHBondContact O-CD2 3.4Å; I339-F343 PolarHBondContact O-N 3.28Å; I339-F343 VanDerWaalsContact O-N 3.14Å; H340-F343 PolarHBondContact O-N 3.17Å; F343-A345 PolarHBondContact O-N 3.31Å; F343-R346 PolarHBondContact O-N 3.47Å; F343-V347 HydrophobicContact CB-CG2 4.15Å; F343-V347 WeakPolarHBondContact O-CB 3.17Å; F343-V347 VanDerWaalsContact O-CG2 3.31Å; F343-V347 WeakPolarHBondContact O-CG2 3.4Å; F343-V347 PolarHBondContact O-N 3.28Å
344S87.8Confident80.1Confident9 Ų965 Ų656%0.06334%0.343CS..Hα-helixtrans-52.9-46.7-177.5-79.50000113.5H340 R346 V347 L348H340-S344 PolarHBondContact CD2-OG 2.73Å; H340-S344 PolarHBondContact NE2-OG 3.2Å; H340-S344 VanDerWaalsContact NE2-OG 3.16Å; H340-S344 WeakPolarHBondContact O-CB 3.43Å; H340-S344 PolarHBondContact O-N 3.24Å; H340-S344 PolarHBondContact O-OG 3Å; S344-R346 PolarHBondContact O-N 3.46Å; S344-V347 PolarHBondContact O-N 3.47Å; S344-L348 WeakPolarHBondContact O-CB 3.47Å; S344-L348 VanDerWaalsContact O-CG 3.31Å; S344-L348 WeakPolarHBondContact O-CG 3.3Å; S344-L348 PolarHBondContact O-N 3.14Å
345A85.1Confident77.7Confident88 Ų8865.8 Ų65.873%0.72735%0.352SS*.Hα-helixtrans-61.3-28.6-179.900000113.6F343F343-A345 PolarHBondContact O-N 3.31Å
346R80.3Confident75.3Confident112 Ų11267.2 Ų67.242%0.42337%0.366SS..Hα-helixtrans-89.3-28.7179.3-53.4178.975.6-167.32.3112F343 S344 L350 W382F343-R346 PolarHBondContact O-N 3.47Å; S344-R346 PolarHBondContact O-N 3.46Å; R346-L350 VanDerWaalsContact O-CD1 3.24Å; R346-L350 WeakPolarHBondContact O-CD1 3.39Å; R346-W382 VanDerWaalsContact NH2-CZ2 3.32Å; R346-W382 VanDerWaalsContact NH2-CZ3 3.3Å
347V80.6Confident72.9Confident2 Ų272.1 Ų72.11%0.01239%0.385CS..Hα-helixtrans-99.4-44.2-169.5171.70000113.2V48 Y51 V52 F343 S344 P349 L350 V351V48-V347 HydrophobicContact CB-CG1 4.4Å; V48-V347 HydrophobicContact CG1-CB 4.33Å; V48-V347 HydrophobicContact CG1-CG1 4.34Å; V48-V347 HydrophobicContact CG2-CG1 4.22Å; Y51-V347 HydrophobicContact CD1-CB 4.31Å; Y51-V347 HydrophobicContact CD1-CG1 3.69Å; Y51-V347 HydrophobicContact CD1-CG2 3.82Å; Y51-V347 HydrophobicContact CE1-CG2 4.49Å; Y51-V347 HydrophobicContact CG-CG1 3.69Å; V52-V347 HydrophobicContact CG2-CG2 4.41Å; F343-V347 HydrophobicContact CB-CG2 4.15Å; F343-V347 WeakPolarHBondContact O-CB 3.17Å; F343-V347 VanDerWaalsContact O-CG2 3.31Å; F343-V347 WeakPolarHBondContact O-CG2 3.4Å; F343-V347 PolarHBondContact O-N 3.28Å; S344-V347 PolarHBondContact O-N 3.47Å; V347-P349 VanDerWaalsContact C-CD 3.44Å; V347-L350 WeakPolarHBondContact O-CA 3.24Å; V347-L350 VanDerWaalsContact O-CB 3.28Å; V347-L350 WeakPolarHBondContact O-CB 3.28Å; V347-L350 PolarHBondContact O-N 2.97Å; V347-V351 HydrophobicContact CG1-CG2 3.71Å; V347-V351 WeakPolarHBondContact O-CG2 3.18Å; V347-V351 PolarHBondContact O-N 3.31Å; V347-V351 VanDerWaalsContact O-N 3.12Å
348L77.6Confident70.5Confident63 Ų6370.9 Ų70.933%0.3339%0.391SS..Hα-helixtrans-56.6-38.4-176.5-66.4174000113.9V48 S344 L350 V351 N352V48-L348 HydrophobicContact CG2-CD2 3.76Å; V48-L348 HydrophobicContact CG2-CG 4.19Å; S344-L348 WeakPolarHBondContact O-CB 3.47Å; S344-L348 VanDerWaalsContact O-CG 3.31Å; S344-L348 WeakPolarHBondContact O-CG 3.3Å; S344-L348 PolarHBondContact O-N 3.14Å; L348-L350 PolarHBondContact O-N 2.88Å; L348-L350 VanDerWaalsContact O-N 3.14Å; L348-V351 PolarHBondContact O-N 3.45Å; L348-N352 PolarHBondContact O-N 2.85Å
349P76.2Confident68.1Low90 Ų9069.7 Ų69.758%0.58439%0.392SS*.Hα-helixtrans-59.5-24.4173-2536000114.2V347V347-P349 VanDerWaalsContact C-CD 3.44Å
350L68.3Low65.8Low48 Ų4871.2 Ų71.225%0.25140%0.401SS..Hα-helixtrans-90.6-27.3-178.7-50.3171000112.1Y51 R346 V347 L348 N352 L375Y51-L350 HydrophobicContact CE1-CD1 3.81Å; Y51-L350 HydrophobicContact CE2-CB 4.47Å; R346-L350 VanDerWaalsContact O-CD1 3.24Å; R346-L350 WeakPolarHBondContact O-CD1 3.39Å; V347-L350 WeakPolarHBondContact O-CA 3.24Å; V347-L350 VanDerWaalsContact O-CB 3.28Å; V347-L350 WeakPolarHBondContact O-CB 3.28Å; V347-L350 PolarHBondContact O-N 2.97Å; L348-L350 PolarHBondContact O-N 2.88Å; L348-L350 VanDerWaalsContact O-N 3.14Å; L350-N352 VanDerWaalsContact C-N 3.31Å; L350-L375 HydrophobicContact CD1-CD1 3.57Å; L350-L375 HydrophobicContact CD1-CD2 3.86Å; L350-L375 HydrophobicContact CD1-CG 4.38Å; L350-L375 HydrophobicContact CD2-CD1 4.22Å; L350-L375 HydrophobicContact CD2-CD2 3.85Å; L350-L375 HydrophobicContact CG-CD1 4.45Å
351V63.2Low63.4Low44 Ų4471.7 Ų71.727%0.26741%0.406SS..Hα-helixtrans-73.7-21.5178.8173.50000112.2P47 V347 L348 L353P47-V351 HydrophobicContact CB-CG1 3.8Å; P47-V351 HydrophobicContact CB-CG2 4.32Å; V347-V351 HydrophobicContact CG1-CG2 3.71Å; V347-V351 WeakPolarHBondContact O-CG2 3.18Å; V347-V351 PolarHBondContact O-N 3.31Å; V347-V351 VanDerWaalsContact O-N 3.12Å; L348-V351 PolarHBondContact O-N 3.45Å; V351-L353 PolarHBondContact O-N 3.42Å
352N52.6Low61.2Low144 Ų14470.4 Ų70.477%0.7740%0.402SS*.THydrogen-bonded Turntrans-73.71.3175.5-76.4-21.5000114.7L348 L350L348-N352 PolarHBondContact O-N 2.85Å; L350-N352 VanDerWaalsContact C-N 3.31Å
353L45.5Very low58.8Low85 Ų8567 Ų6745%0.44539%0.387SS..SBendtrans-84.2130.2162-72.7160.4000108V351 V355 K371V351-L353 PolarHBondContact O-N 3.42Å; L353-V355 PolarHBondContact O-N 2.95Å; L353-K371 HydrophobicContact CD1-CD 4.36Å
354P41Very low56.3Low112 Ų11271.3 Ų71.373%0.72741%0.411SS*.  trans-61105.1-16524.1-34.6000111.9
355V43.2Very low54.3Low91 Ų9173.7 Ų73.755%0.55242%0.421SS*.  trans-124.299.1161.7-178.20000104.6L353 D359 V360L353-V355 PolarHBondContact O-N 2.95Å; V355-D359 HydrophobicContact CG1-CB 4.04Å; V355-V360 HydrophobicContact CG1-CG2 4.22Å
356T42.7Very low52.2Low74 Ų7473.8 Ų73.845%0.45442%0.416SS..  trans-72.5160.2177.269.60000109.9A358 D359 V360T356-A358 PolarHBondContact O-N 2.81Å; T356-A358 PolarHBondContact OG1-N 3.3Å; T356-D359 WeakPolarHBondContact CA-OD2 3.21Å; T356-D359 WeakPolarHBondContact CB-OD2 3.43Å; T356-D359 PolarHBondContact N-OD2 3.27Å; T356-D359 WeakPolarHBondContact O-CB 3.34Å; T356-D359 PolarHBondContact O-N 2.97Å; T356-D359 VanDerWaalsContact OG1-CG 3.3Å; T356-D359 PolarHBondContact OG1-N 3.41Å; T356-D359 PolarHBondContact OG1-OD2 3.01Å; T356-V360 PolarHBondContact O-N 3.11Å
357Y42.3Very low50.2Low105 Ų10573 Ų7341%0.41242%0.424SS..Hα-helixtrans-60-26.3172.1-168.8-105.6000111.9L44 V360 L361L44-Y357 WeakPolarHBondContact CD2-OH 3.48Å; Y357-V360 PolarHBondContact O-N 2.76Å; Y357-L361 HydrophobicContact CD1-CD1 3.77Å; Y357-L361 HydrophobicContact CD1-CG 4.23Å; Y357-L361 HydrophobicContact CE1-CD1 3.71Å; Y357-L361 HydrophobicContact CE1-CD2 4.39Å; Y357-L361 HydrophobicContact CE1-CG 4.11Å; Y357-L361 WeakPolarHBondContact O-CG 2.94Å; Y357-L361 PolarHBondContact O-N 3.32Å
358A41.5Very low48.5Very low54 Ų5474.5 Ų74.545%0.44644%0.435SS..Hα-helixtrans-69.1-32.2172.200000113.1T356 V360 L361 T362T356-A358 PolarHBondContact O-N 2.81Å; T356-A358 PolarHBondContact OG1-N 3.3Å; A358-V360 VanDerWaalsContact C-N 3.29Å; A358-V360 PolarHBondContact O-N 2.89Å; A358-L361 PolarHBondContact O-N 2.96Å; A358-T362 WeakPolarHBondContact O-CB 3.3Å; A358-T362 VanDerWaalsContact O-CG2 3.28Å; A358-T362 WeakPolarHBondContact O-CG2 3.37Å; A358-T362 PolarHBondContact O-N 3.49Å; A358-T362 PolarHBondContact O-OG1 2.86Å
359D43.2Very low46.7Very low63 Ų6375.6 Ų75.634%0.33744%0.44SS..Hα-helixtrans-66.6-34173.8-60.9-60.6000111.5V355 T356 T362V355-D359 HydrophobicContact CG1-CB 4.04Å; T356-D359 WeakPolarHBondContact CA-OD2 3.21Å; T356-D359 WeakPolarHBondContact CB-OD2 3.43Å; T356-D359 PolarHBondContact N-OD2 3.27Å; T356-D359 WeakPolarHBondContact O-CB 3.34Å; T356-D359 PolarHBondContact O-N 2.97Å; T356-D359 VanDerWaalsContact OG1-CG 3.3Å; T356-D359 PolarHBondContact OG1-N 3.41Å; T356-D359 PolarHBondContact OG1-OD2 3.01Å; D359-T362 WeakPolarHBondContact CA-OG1 3.31Å; D359-T362 PolarHBondContact O-OG1 3.42Å
360V44.4Very low44.9Very low36 Ų3675.7 Ų75.722%0.21844%0.44CS..Hα-helixtrans-69.6-41.1173.4179.40000111V355 T356 Y357 A358V355-V360 HydrophobicContact CG1-CG2 4.22Å; T356-V360 PolarHBondContact O-N 3.11Å; Y357-V360 PolarHBondContact O-N 2.76Å; A358-V360 VanDerWaalsContact C-N 3.29Å; A358-V360 PolarHBondContact O-N 2.89Å
361L39.8Very low43.8Very low82 Ų8277.6 Ų77.643%0.42945%0.446SS..Hα-helixtrans-74.1-23.9178.3-69.3175.1000114.3Y357 A358Y357-L361 HydrophobicContact CD1-CD1 3.77Å; Y357-L361 HydrophobicContact CD1-CG 4.23Å; Y357-L361 HydrophobicContact CE1-CD1 3.71Å; Y357-L361 HydrophobicContact CE1-CD2 4.39Å; Y357-L361 HydrophobicContact CE1-CG 4.11Å; Y357-L361 WeakPolarHBondContact O-CG 2.94Å; Y357-L361 PolarHBondContact O-N 3.32Å; A358-L361 PolarHBondContact O-N 2.96Å
362T45.2Very low42.8Very low75 Ų7575.9 Ų75.946%0.4644%0.436SS..THydrogen-bonded Turntrans-87.7-5.9-179.449.30000113.8A358 D359 N364A358-T362 WeakPolarHBondContact O-CB 3.3Å; A358-T362 VanDerWaalsContact O-CG2 3.28Å; A358-T362 WeakPolarHBondContact O-CG2 3.37Å; A358-T362 PolarHBondContact O-N 3.49Å; A358-T362 PolarHBondContact O-OG1 2.86Å; D359-T362 WeakPolarHBondContact CA-OG1 3.31Å; D359-T362 PolarHBondContact O-OG1 3.42Å; T362-N364 PolarHBondContact O-N 3.43Å
363G43.3Very low42.2Very low15 Ų1577.3 Ų77.316%0.15543%0.431CS..THydrogen-bonded Turntrans68.219.417600000114.2H365G363-H365 PolarHBondContact O-CD2 3.48Å; G363-H365 PolarHBondContact O-N 2.82Å
364N38.5Very low42Very low105 Ų10579.2 Ų79.256%0.56144%0.436SS*.  trans-82.860.7-171.1-124.6-10.9000112T362 S366T362-N364 PolarHBondContact O-N 3.43Å; N364-S366 PolarHBondContact O-N 3.02Å
365H46.3Very low42Very low60 Ų6075.4 Ų75.428%0.27841%0.409SS..G310 helixtrans-61.8-11.5-176.3-61.4-79.1000114.6G363 T367 S368 I369G363-H365 PolarHBondContact O-CD2 3.48Å; G363-H365 PolarHBondContact O-N 2.82Å; H365-T367 VanDerWaalsContact C-N 3.32Å; H365-T367 PolarHBondContact O-N 3.29Å; H365-S368 PolarHBondContact O-N 2.53Å; H365-S368 PolarHBondContact O-OG 3.26Å; H365-I369 WeakPolarHBondContact O-CG1 3.29Å
366S39.7Very low42Very low89 Ų8972.2 Ų72.262%0.62239%0.389SS*.G310 helixtrans-65.3-28.9-174.2-163.20000114N364N364-S366 PolarHBondContact O-N 3.02Å
367T39.5Very low42.1Very low97 Ų9775.5 Ų75.560%0.59540%0.399SS*.G310 helixtrans-85.1-12.5-175.958.80000114.5H365H365-T367 VanDerWaalsContact C-N 3.32Å; H365-T367 PolarHBondContact O-N 3.29Å
368S44.1Very low42.1Very low33 Ų3375.4 Ų75.423%0.23140%0.402CS..THydrogen-bonded Turntrans-91.4-23.8179.361.40000113.5H365 K371 C372H365-S368 PolarHBondContact O-N 2.53Å; H365-S368 PolarHBondContact O-OG 3.26Å; S368-K371 PolarHBondContact O-N 2.97Å; S368-C372 PolarHBondContact O-N 3.11Å
369I40.6Very low42Very low85 Ų8575.9 Ų75.944%0.43639%0.393SS..Hα-helixtrans-53.5-47-173.8-64.3167.3000113.6F58 H365 K371 R373F58-I369 HydrophobicContact CE1-CG1 4.22Å; F58-I369 HydrophobicContact CZ-CG1 4.23Å; H365-I369 WeakPolarHBondContact O-CG1 3.29Å; I369-K371 VanDerWaalsContact C-N 3.28Å; I369-K371 PolarHBondContact O-N 2.97Å; I369-R373 PolarHBondContact O-N 3.25Å
370P37.3Very low41.6Very low92 Ų9277.9 Ų77.960%0.59741%0.412SS*.Hα-helixtrans-65.4-30.8-179.9-21.134.1000113.3
371K46.6Very low41.1Very low88 Ų8879.9 Ų79.938%0.38343%0.432SS..Hα-helixtrans-77.5-38.2-174.4-64.2173.6179.8171.20111.9L353 S368 I369L353-K371 HydrophobicContact CD1-CD 4.36Å; S368-K371 PolarHBondContact O-N 2.97Å; I369-K371 VanDerWaalsContact C-N 3.28Å; I369-K371 PolarHBondContact O-N 2.97Å
372C41.6Very low40.9Very low8 Ų880.1 Ų80.15%0.05443%0.427CS..Hα-helixtrans-68.2-34.8175.5-68.10000112.5F58 S368 F374 L375 L376F58-C372 HydrophobicContact CD2-CB 3.59Å; F58-C372 HydrophobicContact CE2-CB 3.72Å; F58-C372 WeakPolarHBondContact CE2-SG 3.29Å; F58-C372 HydrophobicContact CG-CB 4.14Å; F58-C372 HydrophobicContact CZ-CB 4.33Å; S368-C372 PolarHBondContact O-N 3.11Å; C372-F374 PolarHBondContact O-N 3.15Å; C372-L375 PolarHBondContact O-N 3.46Å; C372-L376 PolarHBondContact O-N 3.49Å; C372-L376 VanDerWaalsContact O-N 3.12Å
373R40.1Very low40.6Very low174 Ų17481.2 Ų81.266%0.65744%0.438SS*.Hα-helixtrans-63.5-38.4178.8-162.6175.9-169.8171.33.2113.3I369 L375 L376 Q377I369-R373 PolarHBondContact O-N 3.25Å; R373-L375 PolarHBondContact O-N 3.24Å; R373-L376 PolarHBondContact O-N 2.66Å; R373-Q377 PolarHBondContact O-N 2.74Å; R373-Q377 VanDerWaalsContact O-N 3.11Å
374F41.1Very low40Very low125 Ų12587.9 Ų87.955%0.54847%0.47SS..Hα-helixtrans-60.1-34.7175-179.3-100.9000112.6C372 Q378C372-F374 PolarHBondContact O-N 3.15Å; F374-Q378 PolarHBondContact O-N 2.7Å
375L41.2Very low39.7Very low32 Ų3285.9 Ų85.917%0.16848%0.475CS..Hα-helixtrans-80.4-34.5-178.4-65160.4000112.4Y51 L350 C372 R373 Q377 Q378Y51-L375 HydrophobicContact CE1-CD1 4.48Å; Y51-L375 WeakPolarHBondContact OH-CD1 3.39Å; L350-L375 HydrophobicContact CD1-CD1 3.57Å; L350-L375 HydrophobicContact CD1-CD2 3.86Å; L350-L375 HydrophobicContact CD1-CG 4.38Å; L350-L375 HydrophobicContact CD2-CD1 4.22Å; L350-L375 HydrophobicContact CD2-CD2 3.85Å; L350-L375 HydrophobicContact CG-CD1 4.45Å; C372-L375 PolarHBondContact O-N 3.46Å; R373-L375 PolarHBondContact O-N 3.24Å; L375-Q377 VanDerWaalsContact C-N 3.26Å; L375-Q377 PolarHBondContact O-N 2.96Å; L375-Q378 PolarHBondContact O-N 2.66Å; L375-Q378 VanDerWaalsContact O-N 3.09Å
376L43.8Very low38.9Very low24 Ų2491.8 Ų91.813%0.12650%0.502CS..Hα-helixtrans-63.8-34.5170.9-70.7157.5000111F58 Q59 C372 R373 Q378 R379F58-L376 HydrophobicContact CB-CD1 4.05Å; Q59-L376 HydrophobicContact CG-CD2 3.68Å; C372-L376 PolarHBondContact O-N 3.49Å; C372-L376 VanDerWaalsContact O-N 3.12Å; R373-L376 PolarHBondContact O-N 2.66Å; L376-Q378 VanDerWaalsContact C-N 3.3Å; L376-Q378 PolarHBondContact O-N 2.81Å; L376-R379 VanDerWaalsContact O-CB 3.27Å; L376-R379 WeakPolarHBondContact O-CB 3.41Å; L376-R379 PolarHBondContact O-N 2.73Å; L376-R379 VanDerWaalsContact O-N 3.13Å
377Q44.1Very low38.4Very low143 Ų14394 Ų9467%0.66851%0.512SS*.Hα-helixtrans-64.7-27.5170.3-90.1179.1-29.400114.2R373 L375 R379R373-Q377 PolarHBondContact O-N 2.74Å; R373-Q377 VanDerWaalsContact O-N 3.11Å; L375-Q377 VanDerWaalsContact C-N 3.26Å; L375-Q377 PolarHBondContact O-N 2.96Å; Q377-R379 PolarHBondContact O-N 3.2Å
378Q41.8Very low37.8Very low103 Ų10396.8 Ų96.848%0.48152%0.517SS..G310 helixtrans-74.4-6.9173.5-66.5-153-7.300113.7F374 L375 L376 S380 A381 W382F374-Q378 PolarHBondContact O-N 2.7Å; L375-Q378 PolarHBondContact O-N 2.66Å; L375-Q378 VanDerWaalsContact O-N 3.09Å; L376-Q378 VanDerWaalsContact C-N 3.3Å; L376-Q378 PolarHBondContact O-N 2.81Å; Q378-S380 PolarHBondContact O-N 3.34Å; Q378-A381 PolarHBondContact O-N 2.96Å; Q378-W382 PolarHBondContact O-NE1 3.01Å
379R39.2Very low37.4Very low64 Ų64101.2 Ų101.224%0.24255%0.545CS..G310 helixtrans-56.7-21.8177.2-82.1-172.6125.3173.2-0.3114.4Q59 E138 L376 Q377 A381 W382Q59-R379 VanDerWaalsContact OE1-CZ 3.26Å; Q59-R379 VanDerWaalsContact OE1-NH1 3.09Å; E138-R379 IonicContact OE1-CZ 3.2Å; E138-R379 IonicContact OE1-NH2 3.63Å; E138-R379 PolarHBondContact OE1-NH2 2.84Å; L376-R379 VanDerWaalsContact O-CB 3.27Å; L376-R379 WeakPolarHBondContact O-CB 3.41Å; L376-R379 PolarHBondContact O-N 2.73Å; L376-R379 VanDerWaalsContact O-N 3.13Å; Q377-R379 PolarHBondContact O-N 3.2Å; R379-A381 PolarHBondContact O-N 3.5Å; R379-A381 VanDerWaalsContact O-N 3.16Å; R379-W382 HydrophobicContact CB-CD2 4.35Å; R379-W382 HydrophobicContact CB-CG 4.45Å; R379-W382 HydrophobicContact CG-CD2 3.78Å; R379-W382 HydrophobicContact CG-CE3 3.76Å; R379-W382 HydrophobicContact CG-CG 4.37Å; R379-W382 HydrophobicContact CG-CH2 4.25Å; R379-W382 HydrophobicContact CG-CZ2 4.26Å; R379-W382 HydrophobicContact CG-CZ3 4.01Å; R379-W382 WeakPolarHBondContact O-CB 3.29Å; R379-W382 PolarHBondContact O-N 2.97Å
380S35.4Very low36.8Very low106 Ų106101.8 Ų101.874%0.74156%0.557SS**G310 helixtrans-60.9-20.7174.156.70000113.6Q378Q378-S380 PolarHBondContact O-N 3.34Å
381A33.2Very low36.4Very low78 Ų78104.1 Ų104.165%0.64557%0.57SS**G310 helixtrans-95.63.6174.500000113.9Q378 R379Q378-A381 PolarHBondContact O-N 2.96Å; R379-A381 PolarHBondContact O-N 3.5Å; R379-A381 VanDerWaalsContact O-N 3.16Å
382W35.9Very low35.5Very low87 Ų87104.8 Ų104.833%0.3359%0.585SS.*SBendtrans-95-1.9-171.3-62.117.9000113.4R346 Q378 R379R346-W382 VanDerWaalsContact NH2-CZ2 3.32Å; R346-W382 VanDerWaalsContact NH2-CZ3 3.3Å; Q378-W382 PolarHBondContact O-NE1 3.01Å; R379-W382 HydrophobicContact CB-CD2 4.35Å; R379-W382 HydrophobicContact CB-CG 4.45Å; R379-W382 HydrophobicContact CG-CD2 3.78Å; R379-W382 HydrophobicContact CG-CE3 3.76Å; R379-W382 HydrophobicContact CG-CG 4.37Å; R379-W382 HydrophobicContact CG-CH2 4.25Å; R379-W382 HydrophobicContact CG-CZ2 4.26Å; R379-W382 HydrophobicContact CG-CZ3 4.01Å; R379-W382 WeakPolarHBondContact O-CB 3.29Å; R379-W382 PolarHBondContact O-N 2.97Å
383S38.4Very low35.1Very low97 Ų97113.4 Ų113.468%0.67863%0.625SS**SBendtrans-86.6-24.8-174.3-50.90000114.2
384D32.1Very low34.3Very low155 Ų155114.1 Ų114.183%0.82964%0.636SS**  trans-10884.8-170.6-67.6-40.9000111.1
385G31.4Very low33.7Very low64 Ų64115.2 Ų115.266%0.6665%0.652SS**  trans-158.232.3-171.900000115.6V387G385-V387 PolarHBondContact O-N 3.16Å
386H29.4Very low32.9Very low184 Ų184118.5 Ų118.585%0.85268%0.678SS**  trans-67.698.9174.5-89.7-58.4000111.7
387V30.3Very low32.2Very low136 Ų136124.2 Ų124.282%0.82471%0.714SS**  trans-99.395.5163.1-176.60000108.9G385G385-V387 PolarHBondContact O-N 3.16Å
388H27Very low31.4Very low154 Ų154122.8 Ų122.871%0.71372%0.72SS**  trans-70130.3165.5-98.4-88.5000109.8S390H388-S390 PolarHBondContact O-N 3.11Å
389P34.7Very low30.6Very low126 Ų126124.6 Ų124.682%0.81874%0.738SS**  trans-76.2108.2164.829.9-30.2000109.1
390S28.4Very low29.8Very low98 Ų98127.3 Ų127.369%0.68577%0.765SS**  trans-91.9135.7176.648.70000111.7H388H388-S390 PolarHBondContact O-N 3.11Å
391T28.5Very low29.3Very low140 Ų140126.6 Ų126.686%0.85976%0.76SS**  trans65.9131.3172.511.40000115.1
392S28.7Very low28.9Very low102 Ų102130 Ų13071%0.71377%0.767SS**  cis-164.7173.931.6500000113.2
393Q31.7Very low28.4Very low190 Ų190134.8 Ų134.889%0.88879%0.793SS**  trans82.9112.6176.6-57.3-165.3-5.800117.6
394Q24.3Very low27.7Very low188 Ų188138.7 Ų138.788%0.87981%0.806SS**  trans-85.1133.7175.1-57.9162.9-63.600110.2
395V28.9Very low27.3Very low149 Ų149137.3 Ų137.390%0.90380%0.802SS**  trans-137.1125.2141.2-178.40000108.1
396S23.5Very low27Very low100 Ų100139.5 Ų139.570%0.69981%0.805SS**  trans-82.3141.6-176.4-40.20000111.7
397T29.2Very low26.8Very low145 Ų145141 Ų14189%0.8981%0.81SS**  -168.2157.1128.915.20000113.1
398S27.3Very low26.4Very low113 Ų113145.4 Ų145.479%0.7981%0.812SS**  trans-64.2151.2-161.547.10000118.9
399V24.5Very low26.4Very low141 Ų141144.5 Ų144.586%0.85582%0.816SS**  trans-64.6142.4168.8174.80000113.2
400C24Very low25.7Very low120 Ų120143 Ų14381%0.81181%0.809SS**  trans-155.6134.3137.8-151.30000114.4
401S24.3Very low25.5Very low92 Ų92143.6 Ų143.664%0.64381%0.81SS**  trans-7.7141.9167.1-54.60000123.6
402N25.2Very low25.4Very low149 Ų149143.9 Ų143.980%0.79781%0.805SS**  trans47.7106.1137.3-62.8-9.9000119.9
403Q25.2Very low25.1Very low187 Ų187144.1 Ų144.187%0.87480%0.802SS**  trans-158.4141.6131.4-113158.352.600112.4
404L24Very low24.8Very low180 Ų180139.1 Ų139.194%0.94279%0.793SS**  trans-66.3128.7168.9-72.6131.4000108.9
405V23.8Very low25Very low125 Ų125135.7 Ų135.776%0.75878%0.78SS**  trans-126122.9172-164.20000108.1
406P23.3Very low24.9Very low110 Ų110133.4 Ų133.471%0.71477%0.768SS**  trans-68.3148.6179.727.8-32.8000110.3R408P406-R408 VanDerWaalsContact C-N 3.3Å; P406-R408 PolarHBondContact O-N 2.74Å
407F25Very low25.3Very low216 Ų216137.8 Ų137.895%0.94778%0.775SS**  trans-60.794.5169.6-97.7-90.6000109.5V409F407-V409 PolarHBondContact O-N 2.99Å; F407-V409 VanDerWaalsContact O-N 3.16Å
408R22.8Very low25.2Very low229 Ų229136.8 Ų136.886%0.86477%0.771SS**  trans-71.5108.2171.4-151.2179.4-165-175.74.2106.2P406 S410P406-R408 VanDerWaalsContact C-N 3.3Å; P406-R408 PolarHBondContact O-N 2.74Å; R408-S410 VanDerWaalsContact C-N 3.31Å; R408-S410 PolarHBondContact O-N 2.64Å
409V26.2Very low25.3Very low134 Ų134134.7 Ų134.781%0.81277%0.767SS**  trans-59.7102.2165.6179.70000106.1F407F407-V409 PolarHBondContact O-N 2.99Å; F407-V409 VanDerWaalsContact O-N 3.16Å
410S21.7Very low25.4Very low94 Ų94137.5 Ų137.566%0.65777%0.769SS**  trans-56.2124.1168.6-68.30000106.7R408 I412R408-S410 VanDerWaalsContact C-N 3.31Å; R408-S410 PolarHBondContact O-N 2.64Å; S410-I412 PolarHBondContact O-N 3.47Å
411P23Very low25.7Very low111 Ų111137.5 Ų137.572%0.72177%0.767SS**  trans-61.7114.5172.126.2-31.5000106.6V413P411-V413 PolarHBondContact O-N 3.18Å
412I26Very low25.9Very low147 Ų147140.9 Ų140.975%0.75478%0.777SS**  trans-55.2115.5155.1-66.5177.7000103.8S410 A414S410-I412 PolarHBondContact O-N 3.47Å; I412-A414 PolarHBondContact O-N 2.85Å
413V24.2Very low26.1Very low107 Ų107138.8 Ų138.865%0.64877%0.772SS**  trans-54.1111.9-175.6172.90000107P411 L415P411-V413 PolarHBondContact O-N 3.18Å; V413-L415 PolarHBondContact O-N 3.32Å
414A25.1Very low26.1Very low85 Ų85138.3 Ų138.370%0.70277%0.773SS**  trans-56.3109.5164.900000105.4I412I412-A414 PolarHBondContact O-N 2.85Å
415L27.9Very low26.5Very low116 Ų116137.6 Ų137.661%0.60777%0.769SS**  trans-51.1120.8-176.3-71173.2000107.4V413 F417V413-L415 PolarHBondContact O-N 3.32Å; L415-F417 PolarHBondContact O-N 3.17Å; L415-F417 VanDerWaalsContact O-N 3.11Å
416P26.5Very low26.7Very low100 Ų100134.6 Ų134.665%0.64976%0.763SS**  trans-63.7120.6-168.224.3-33.5000108.7P418P416-P418 WeakPolarHBondContact O-CD 3.16Å; P416-P418 WeakPolarHBondContact O-CG 3.33Å; P416-P418 VanDerWaalsContact O-N 3.12Å
417F31.4Very low26.8Very low192 Ų192141.2 Ų141.284%0.84277%0.774SS**  trans-53.6112.2179.6-71-88.8000111L415L415-F417 PolarHBondContact O-N 3.17Å; L415-F417 VanDerWaalsContact O-N 3.11Å
418P28.7Very low27.2Very low125 Ų125140.3 Ų140.381%0.81277%0.773SS**  trans-109.5115.9176.123.2-2.4000110.1P416P416-P418 WeakPolarHBondContact O-CD 3.16Å; P416-P418 WeakPolarHBondContact O-CG 3.33Å; P416-P418 VanDerWaalsContact O-N 3.12Å
419G27.8Very low27.6Very low68 Ų68140.7 Ų140.770%0.70177%0.774SS**SBendtrans91.659.7155.100000118.4
420F27.5Very low27.7Very low201 Ų201143.1 Ų143.188%0.88278%0.777SS**  trans-142.1121.9142.6-98.9-77.4000110.3L422F420-L422 PolarHBondContact O-N 3.1Å
421P29.4Very low28.1Very low119 Ų119146.7 Ų146.777%0.77379%0.788SS**PPolyproline II helixtrans-74118.2170.729.3-29.9000109.1
422L28.8Very low28.4Very low163 Ų163150.7 Ų150.785%0.85380%0.796SS**PPolyproline II helixtrans-61.1133.2171.9-75.9170.6000109.8F420 I424F420-L422 PolarHBondContact O-N 3.1Å; L422-I424 PolarHBondContact O-N 3.31Å
423P29.7Very low28.6Very low106 Ų106151.8 Ų151.869%0.68880%0.798SS**PPolyproline II helixtrans-67.2132176.827.3-33.1000110.2L425P423-L425 PolarHBondContact O-N 2.8Å
424I25.2Very low29Very low177 Ų177151.8 Ų151.891%0.90880%0.8SS**  trans-65.9106.4171.8-61.9166.7000108L422L422-I424 PolarHBondContact O-N 3.31Å
425L32Very low29.2Very low165 Ų165158.6 Ų158.686%0.86481%0.81SS**  trans-118.5121.8168-117.7150.7000108.1P423P423-L425 PolarHBondContact O-N 2.8Å
426G29.6Very low29.4Very low61 Ų61160.9 Ų160.963%0.62981%0.814SS**  trans-84.1156.5-159.400000114.7E428G426-E428 PolarHBondContact O-N 2.85Å
427R25.5Very low29.6Very low249 Ų249164.8 Ų164.894%0.9483%0.826SS**  trans2294.8151.6-77-179.3167.1176.1-2.9116.2
428E32.6Very low29.6Very low197 Ų197163.6 Ų163.692%0.92182%0.823SS**  trans-115.4154.6136.7-70.8-160134.900109.9G426G426-E428 PolarHBondContact O-N 2.85Å
429R31.1Very low29.8Very low237 Ų237162.1 Ų162.189%0.89482%0.822SS**  trans-90.8156.8-157-71.3175.2175.7156.2-2.8113.4
430E27.5Very low30Very low186 Ų186164.7 Ų164.787%0.86983%0.829SS**  trans-38.1129.1165.1-57.3156.3133.400113.6
431L29.8Very low30.2Very low169 Ų169163.7 Ų163.789%0.88583%0.827SS**  trans-143.983.8146.4-91.9178.4000108.9
432H29.8Very low30.3Very low194 Ų194163.4 Ų163.490%0.89883%0.827SS**  trans-88.2109.4161.6-110.7-70000107.8
433E29.9Very low30.6Very low170 Ų170165 Ų16579%0.79483%0.828SS**  trans-125.6120.9163.9-105.8-166.1167.600110.5
434P33.4Very low30.7Very low107 Ų107165.8 Ų165.870%0.69583%0.831SS**  trans-84.4124.5168.532.3-29.1000109.7K436P434-K436 PolarHBondContact O-N 3.41Å
435Y29Very low31.1Very low229 Ų229162.9 Ų162.990%0.89883%0.826SS**  trans-61.798.6172.3-114.6-100.3000110.6
436K32.3Very low31.3Very low163 Ų163159.8 Ų159.871%0.70982%0.824SS**  trans-102111.2165.2-84.2-175.1174.2179.30109.1P434 H438P434-K436 PolarHBondContact O-N 3.41Å; K436-H438 PolarHBondContact O-N 2.87Å; K436-H438 VanDerWaalsContact O-N 3.16Å
437M29.8Very low31.7Very low183 Ų183161.1 Ų161.190%0.90182%0.824SS**  trans-69109.8162.5-75.8-168.4175.500109.1
438H32.2Very low32.2Very low166 Ų166156.1 Ų156.177%0.76982%0.816SS**PPolyproline II helixtrans-83.3120.5168-91.9-89.8000109.9K436K436-H438 PolarHBondContact O-N 2.87Å; K436-H438 VanDerWaalsContact O-N 3.16Å
439A33.7Very low32.6Very low95 Ų95153.3 Ų153.379%0.78581%0.807SS**PPolyproline II helixtrans-69.7133.6161.600000109.3
440S31.7Very low33.3Very low122 Ų122148 Ų14885%0.85380%0.801SS**PPolyproline II helixtrans-76.6132.8175.540.20000111
441Q31.5Very low33.9Very low180 Ų180145.8 Ų145.884%0.84180%0.795SS**  trans-118.9125.5166.6-81.6-168.2-9.200111.2
442S31Very low34.4Very low112 Ų112142.3 Ų142.378%0.78379%0.785SS**  trans32.4132.314750.50000121.7
443K34.8Very low35Very low197 Ų197138.5 Ų138.586%0.85778%0.78SS**  trans-118.4116.6146.7-91.2-173.8174.4-179.20110.3
444T32.2Very low35.4Very low122 Ų122136.3 Ų136.375%0.74878%0.78SS**  trans42.5114.3139.958.60000120
445S33.9Very low35.8Very low116 Ų116137.9 Ų137.981%0.81179%0.788SS**  163.2151.499.450.80000112.9
446A36.8Very low36.3Very low100 Ų100131.5 Ų131.583%0.82678%0.777SS**  trans63.4145.8174.800000117.4
447S36.8Very low36.6Very low89 Ų89128.8 Ų128.862%0.62278%0.778SS**  cis-174.4136.8-20.246.30000107.8
448D37.1Very low37Very low144 Ų144124.9 Ų124.977%0.7777%0.769SS**  trans60.1145.5155.7-42.1-26.9000117.2
449D39.8Very low37.2Very low138 Ų138123 Ų12374%0.73877%0.774SS**  cis-160.6153.110.7-112-25.9000110.4
450V45.6Very low37.1Very low127 Ų127122 Ų12277%0.7777%0.774SS**  trans46.4133.7132.4-179.40000120.1
451D40.2Very low37.1Very low138 Ų138127.6 Ų127.674%0.73878%0.776SS**  cis-164.6166.47.8-151.2-17.8000112.8
452S40.3Very low37.2Very low96 Ų96126.2 Ų126.267%0.67177%0.774SS**  trans56.7148.3145.9720000122.2
453S42.3Very low37.2Very low114 Ų114126.9 Ų126.980%0.79777%0.773SS**  cis-165.6152.8-15.3-84.70000109.6
454P40Very low37Very low124 Ų124126.9 Ų126.981%0.80578%0.776SS**  trans-115.5161.7-173.240.7-32.7000116.3
455V40.3Very low37Very low140 Ų140129.9 Ų129.985%0.84878%0.782SS**  trans-143.1106.4172.5-179.20000115.1
456S39.5Very low36.8Very low95 Ų95129.8 Ų129.866%0.66478%0.781SS**  trans43.3133.4142.174.40000127.3
457S38.7Very low36.3Very low107 Ų107133.1 Ų133.175%0.74878%0.784SS**  trans67.3146.1130.261.80000121.6
458S38.7Very low36Very low101 Ų101136.5 Ų136.571%0.70680%0.795SS**  cis-171158.9-2.643.40000112.6
459S37.4Very low35.7Very low125 Ų125135.3 Ų135.387%0.87479%0.793SS**  trans68136.5161.8-59.60000119
460G30.6Very low35.1Very low75 Ų75132.4 Ų132.477%0.77379%0.788SS**  cis13485.5-7.900000115
461R32.3Very low34.2Very low239 Ų239138.1 Ų138.190%0.90280%0.796SS**  trans-160.2112.5159.9-117.2178.8-170.5-167.42.6114.1
462L33.6Very low33.5Very low151 Ų151136.1 Ų136.179%0.79179%0.793SS**  trans25.2101.2141.3-56.8172.5000117.7
463T29.6Very low32.7Very low126 Ų126140.4 Ų140.477%0.77380%0.799SS**  75.210279.9600000116.7
464E32.4Very low31.8Very low198 Ų198144.1 Ų144.193%0.92580%0.804SS**  trans-129.6140144.9-101.7-172.3156.700109.1
465Q30.9Very low31.2Very low184 Ų184142.5 Ų142.586%0.8680%0.801SS**  trans-100.3135.5172-61.4164.3-29.400106
466S29.2Very low30.7Very low115 Ų115140.7 Ų140.780%0.80480%0.795SS**  -167141.853.6-56.20000110.5
467L26.7Very low30.2Very low170 Ų170145.1 Ų145.189%0.8981%0.805SS**  trans-134.6131.8174.7-99.7166.4000110.4
468N31.6Very low29.6Very low159 Ų159145.7 Ų145.785%0.8581%0.809SS**  trans-178.9130.4173.5-99-19.3000106.1
469V29.2Very low29.1Very low120 Ų120144.9 Ų144.973%0.72782%0.816SS**  cis-152.6124.7-5.1170.40000103
470A27.2Very low28.6Very low77 Ų77144.4 Ų144.464%0.63681%0.813SS**  cis84.7108.547.900000115.9
471R27.1Very low28.6Very low247 Ų247148.1 Ų148.193%0.93282%0.821SS**  trans74.6150.8160.7-57.4173.1179.5173.4-1.2116.6
472S25.2Very low28.3Very low95 Ų95141.9 Ų141.966%0.66481%0.814SS**  cis-161.9152.6-0.325.10000108.4
473F25.3Very low28.2Very low186 Ų186141.1 Ų141.182%0.81682%0.816SS**  -175.5143.990-112.5-92.6000112.1
474E22.2Very low28.2Very low192 Ų192140 Ų14090%0.89781%0.813SS**  trans-124.7131.2160.5-81.1-176.2144.500109
475A28.1Very low28.2Very low90 Ų90135 Ų13574%0.74480%0.8SS**  trans170.5152.9168.500000106
476S29.5Very low28.4Very low102 Ų102136.5 Ų136.571%0.71380%0.798SS**  cis-170.9153-5440000105.6
477E28.6Very low28.5Very low188 Ų188136.6 Ų136.688%0.87979%0.789SS**  cis-160.1-179.93.2-124.3172.3133.900109.8
478S26.2Very low28.8Very low120 Ų120135.3 Ų135.384%0.83978%0.783SS**  trans-91.1137.6176.155.60000113.5
479G28.7Very low28.9Very low83 Ų83134.1 Ų134.186%0.85678%0.776SS**  trans-154.9107.2171.500000112.7
480S26.2Very low29.1Very low116 Ų116135.6 Ų135.681%0.81178%0.779SS**  trans-117.3121.7-178.158.10000112.1
481T30.3Very low29.2Very low153 Ų153139 Ų13994%0.93979%0.786SS**  trans-151.6138157.528.70000110.8
482S25.8Very low29.4Very low108 Ų108131.9 Ų131.976%0.75578%0.78SS**  trans-106.6137.1-175.7540000112.9
483T32.2Very low29.6Very low135 Ų135132.5 Ų132.583%0.82879%0.785SS**  trans-176.9108.514728.60000107.4
484S29.9Very low30.1Very low101 Ų101130.6 Ų130.671%0.70679%0.788SS**  84.8126.781.4800000115.5
485S33.2Very low30.4Very low94 Ų94128.7 Ų128.766%0.65779%0.785SS**  trans87.3114.8145.9-56.10000120.4
486R33.7Very low30.9Very low215 Ų215129.2 Ų129.281%0.81178%0.78SS**  trans69.8153.2137.1-62.6-172.3165.1126.9-1.1118.2
487D32.6Very low31.1Very low117 Ų117131.9 Ų131.963%0.62678%0.783SS**  cis-159.7179.8-20.7-93.4-26.1000105
488D33.1Very low31.3Very low143 Ų143130.1 Ų130.177%0.76578%0.78SS**  trans71.8156.5158.5-58.3-25.4000120.2
489I32.1Very low31.6Very low134 Ų134128.2 Ų128.269%0.68778%0.78SS**  cis-175146.3-43.2-113.8171.7000107.8
490L34.3Very low31.6Very low151 Ų151133.5 Ų133.579%0.79178%0.782SS**  trans64.6132.8174.6-60.7155.7000116.2
491D27.9Very low31.9Very low149 Ų149135.1 Ų135.180%0.79778%0.781SS**  cis76.6100.539.7-163.327.7000114.8
492A33.3Very low32Very low97 Ų97132.4 Ų132.480%0.80277%0.769SS**  trans-172.3139.5152.300000111.1
493S29Very low32Very low109 Ų109136.4 Ų136.476%0.76278%0.776SS**  trans-88.114717446.80000112.6
494T34.8Very low31.8Very low145 Ų145141.7 Ų141.789%0.8978%0.78SS**  trans-169.3120.7147.1190000112
495D28.3Very low31.7Very low153 Ų153142.8 Ų142.882%0.81879%0.788SS**  trans-93.1174149.4-117.5-27.7000107.7
496P39.5Very low31.5Very low101 Ų101144.5 Ų144.566%0.65679%0.788SS**  cis-129.8-174.2-25.838.1-21.8000111.3
497M34.1Very low31.3Very low157 Ų157139.5 Ų139.577%0.77378%0.784SS**  trans152.6133.4137.4-85.7-73.4-154.800114.4
498N31.6Very low31.1Very low151 Ų151143.3 Ų143.381%0.80780%0.795SS**  trans32.4110.1146.2-60.8-8.8000120.5
499G33.5Very low31Very low81 Ų81142 Ų14284%0.83579%0.792SS**  trans-137.5105.4150.600000109.7
500E28.9Very low30.8Very low194 Ų194140.3 Ų140.391%0.90779%0.788SS**  trans-72.1131.5168.1-61.5176.8115.900109.1
501D32.4Very low30.6Very low149 Ų149135.9 Ų135.980%0.79777%0.767SS**  trans-163.8145.2136.2-129-40.2000116.5
502S31.7Very low30.6Very low97 Ų97137.7 Ų137.768%0.67877%0.769SS**  trans59.175.8144.3-70.70000121.6
503Q26.6Very low30.4Very low192 Ų192136.9 Ų136.990%0.89775%0.745SS**  29.1113.5126.2-61.9-177.6-5.400120.5
504R26.8Very low30.4Very low246 Ų246143 Ų14393%0.92875%0.751SS**  -156.9101.7124.5-111.2176.2-167.7-1694.5111I506R504-I506 PolarHBondContact O-N 3.1Å
505S27.6Very low30.4Very low124 Ų124147 Ų14787%0.86775%0.75SS**  trans-74.6107.4176.655.20000111.3
506I29.7Very low30.8Very low129 Ų129143.5 Ų143.566%0.66274%0.735SS**  trans-77.2139.5165.6-60.5177.1000107.9R504 K508R504-I506 PolarHBondContact O-N 3.1Å; I506-K508 PolarHBondContact O-N 3.39Å
507P29.2Very low30.6Very low110 Ų110143 Ų14371%0.71473%0.734SS**  trans-60.6127.5179-20.532.1000110.6T509P507-T509 PolarHBondContact O-N 3.29Å
508K29.6Very low30.8Very low197 Ų197140.5 Ų140.586%0.85772%0.719SS**  trans-60.7113.2163.9-70.2-175.8176.4-174.80107.3I506 T510I506-K508 PolarHBondContact O-N 3.39Å; K508-T510 VanDerWaalsContact C-N 3.31Å; K508-T510 PolarHBondContact O-N 2.92Å
509T29.1Very low30.8Very low117 Ų117144.1 Ų144.172%0.71872%0.721SS**  trans-65.893.5172.4-59.60000108.4P507 V511P507-T509 PolarHBondContact O-N 3.29Å; T509-V511 PolarHBondContact O-N 3.41Å
510T28.2Very low30.9Very low98 Ų98150.9 Ų150.960%0.60172%0.721SS**  trans-6499.5173.7-560000108.9K508 F512K508-T510 VanDerWaalsContact C-N 3.31Å; K508-T510 PolarHBondContact O-N 2.92Å; T510-F512 WeakPolarHBondContact O-CD2 3.36Å; T510-F512 PolarHBondContact O-N 3.21Å; T510-F512 VanDerWaalsContact O-N 3.12Å
511V30.7Very low31.1Very low58 Ų58152.3 Ų152.335%0.35272%0.719SS.*  trans-66108.9164.31800000106.5T509 Y513T509-V511 PolarHBondContact O-N 3.41Å; V511-Y513 VanDerWaalsContact C-N 3.35Å; V511-Y513 HydrophobicContact CG1-CD2 4.47Å; V511-Y513 PolarHBondContact O-N 2.86Å
512F27.6Very low31.1Very low187 Ų187151 Ų15182%0.8272%0.718SS**  trans-69.889.8-179.4-81.8-88.2000110.6T510 R514T510-F512 WeakPolarHBondContact O-CD2 3.36Å; T510-F512 PolarHBondContact O-N 3.21Å; T510-F512 VanDerWaalsContact O-N 3.12Å; F512-R514 PolarHBondContact O-N 3.4Å
513Y30Very low31.4Very low79 Ų79155.4 Ų155.431%0.3173%0.727SS.*  trans-62.1105.6167.2-103.3-101.6000110.1P210 E227 V511 R515P210-Y513 HydrophobicContact CG-CD2 3.54Å; P210-Y513 HydrophobicContact CG-CE2 3.44Å; P210-Y513 VanDerWaalsContact CG-CE2 3.44Å; P210-Y513 HydrophobicContact CG-CG 4.31Å; E227-Y513 WeakPolarHBondContact CB-OH 3.4Å; E227-Y513 HydrophobicContact CG-CE1 4.06Å; E227-Y513 WeakPolarHBondContact OE1-CE1 3.09Å; V511-Y513 VanDerWaalsContact C-N 3.35Å; V511-Y513 HydrophobicContact CG1-CD2 4.47Å; V511-Y513 PolarHBondContact O-N 2.86Å; Y513-R515 PolarHBondContact O-N 3.23Å; Y513-R515 VanDerWaalsContact O-N 3.14Å
514R29.2Very low32Very low237 Ų237151.6 Ų151.689%0.89472%0.72SS**  trans-83.687.2169.2-161.3-177.1-160.6-160.26108.5F512 T516F512-R514 PolarHBondContact O-N 3.4Å; R514-T516 PolarHBondContact O-N 3.29Å
515R34Very low32.5Very low229 Ų229146.4 Ų146.486%0.86471%0.71SS**  trans-50.7100.8-177.6-161.1-176.9-159.1-176.37.6112Y513 S517Y513-R515 PolarHBondContact O-N 3.23Å; Y513-R515 VanDerWaalsContact O-N 3.14Å; R515-S517 PolarHBondContact O-N 2.76Å
516T36.7Very low32.8Very low81 Ų81146.4 Ų146.450%0.49771%0.71SS.*  trans-69.998.316436.60000107.8R514 F518R514-T516 PolarHBondContact O-N 3.29Å; T516-F518 PolarHBondContact O-N 3.19Å
517S34.6Very low33Very low90 Ų90150.9 Ų150.963%0.62972%0.719SS**  trans-74.894.5-179.559.90000110R515 R519R515-S517 PolarHBondContact O-N 2.76Å; S517-R519 VanDerWaalsContact C-N 3.33Å; S517-R519 PolarHBondContact O-N 3.4Å
518F39.3Very low33.5Very low105 Ų105158.5 Ų158.546%0.46175%0.745SS.*  trans-59.393.5166.8-73.8-80.9000109.9L29 L307 E308 T516 R520L29-F518 HydrophobicContact CD1-CD2 3.83Å; L29-F518 HydrophobicContact CD1-CE2 3.77Å; L29-F518 HydrophobicContact CD1-CG 4.48Å; L29-F518 HydrophobicContact CD1-CZ 4.39Å; L307-F518 HydrophobicContact CB-CE1 4.07Å; L307-F518 HydrophobicContact CB-CZ 4.09Å; L307-F518 WeakPolarHBondContact O-CE1 3.18Å; E308-F518 HydrophobicContact CG-CE1 4.34Å; E308-F518 HydrophobicContact CG-CZ 4.41Å; T516-F518 PolarHBondContact O-N 3.19Å; F518-R520 PolarHBondContact O-N 2.68Å
519R32.3Very low33.7Very low227 Ų227156.6 Ų156.686%0.85774%0.739SS**  trans-73.6113.9173.3-81.9-173.5171-165-1.8108.8S517 R521S517-R519 VanDerWaalsContact C-N 3.33Å; S517-R519 PolarHBondContact O-N 3.4Å; R519-R521 PolarHBondContact O-N 3.35Å
520R34.1Very low34Very low223 Ų223158.6 Ų158.684%0.84274%0.74SS**PPolyproline II helixtrans-53.7121.9161.8-71.6-175175.3-171.3-2.4109F518F518-R520 PolarHBondContact O-N 2.68Å
521R33.3Very low34.3Very low224 Ų224162 Ų16285%0.84575%0.748SS**PPolyproline II helixtrans-77.7142.7159.6-71.5-170.6-177.8-177.56.3108.5R519R519-R521 PolarHBondContact O-N 3.35Å
522P33.4Very low34.5Very low122 Ų122168.1 Ų168.179%0.79277%0.771SS**PPolyproline II helixtrans-73.9139.9169.929.8-31.1000110.1
523H36.9Very low35Very low188 Ų188166.9 Ų166.987%0.8777%0.768SS**PPolyproline II helixtrans-59.1136.1172.9-105.3-70.8000111N525H523-N525 PolarHBondContact O-N 3.33Å
524P39Very low35.3Very low113 Ų113172.8 Ų172.873%0.73480%0.799SS**  trans-76.9113.3172.430.2-32000111.1
525N38.1Very low35.7Very low136 Ų136168.2 Ų168.273%0.72779%0.792SS**  trans21.2111.4156.4-65.6-36.7000119H523 R527H523-N525 PolarHBondContact O-N 3.33Å; N525-R527 PolarHBondContact O-N 3.18Å
526S34.1Very low35.8Very low125 Ų125163.5 Ų163.587%0.87479%0.787SS**  trans-64.2107.6141.844.60000109.6
527R33.7Very low35.8Very low223 Ų223170.4 Ų170.484%0.84281%0.811SS**  trans-135.377.3166.8-94.2-165.7175.4-169.3-0.1110.4N525N525-R527 PolarHBondContact O-N 3.18Å
528Q40.5Very low35.9Very low269 Ų269177.7 Ų177.7100%1.25783%0.827SS**  trans-162.30143-110.4173.85.500109

Retrieved 528 of 528 residues in 274.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).