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Farnesyl pyrophosphate synthase

Key enzyme in isoprenoid biosynthesis which catalyzes the formation of farnesyl diphosphate (FPP), a precursor for several classes of essential metabolites including sterols, dolichols, carotenoids, and ubiquinones. FPP also serves as substrate for protein farnesylation and geranylgeranylation. Catalyzes the sequential condensation of isopentenyl pyrophosphate with the allylic pyrophosphates, dimethylallyl pyrophosphate, and then with the resultant geranylpyrophosphate to the ultimate product farnesyl pyrophosphate.

AlphaFold DB , UniProt , Accession A0A087X090, Species HUMAN (Homo sapiens, Human), Gene FDPS, Length 248 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M87.8Confident91.4Very high161 Ų16197.9 Ų97.979%0.79350%0.499SS*.  0-61.70-63.6-176.5-68.600109.7S3 L70M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.05Å; M1-L70 HydrophobicContact CB-CD2 4.39Å; M1-L70 HydrophobicContact SD-CD1 3.72Å
2D86.7Confident91.8Very high40 Ų4090.8 Ų90.821%0.21447%0.465CS..  trans-84.714.6-172.1-50.5-41.1000116.1S4 K161D2-S4 PolarHBondContact O-N 2.73Å; D2-K161 IonicContact OD1-NZ 2.72Å; D2-K161 PolarHBondContact OD1-NZ 3.27Å
3S88.9Confident92.3Very high69 Ų6994.2 Ų94.248%0.48347%0.469SS..  trans49.322.1178-52.90000116.7M1 Y14M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.05Å; S3-Y14 WeakPolarHBondContact CA-OH 3.46Å; S3-Y14 PolarHBondContact O-OH 3.33Å
4S90.9Very high92.7Very high20 Ų2093 Ų9314%0.1446%0.457CS..  trans-66.4142.9-173.4-43.20000112.4D2 C12 Y14D2-S4 PolarHBondContact O-N 2.73Å; S4-C12 PolarHBondContact O-SG 3.13Å; S4-Y14 WeakPolarHBondContact O-CE1 3.22Å; S4-Y14 PolarHBondContact O-OH 2.91Å
5L91.3Very high93Very high105 Ų10592.1 Ų92.155%0.5545%0.451SS..SBendtrans-83.1-45.9-178.7-60.1177.8000113C12L5-C12 PolarHBondContact O-N 3.1Å
6T93.4Very high93.3Very high39 Ų3991.9 Ų91.924%0.23945%0.447CS..EExtended strand (participates in β ladder)trans-127.7151.4-174.257.40000112.5Q10T6-Q10 CarbonylContact C-O 3.6Å; T6-Q10 WeakPolarHBondContact CA-O 3.29Å; T6-Q10 WeakPolarHBondContact CB-O 3.33Å
7R92.8Very high93.6Very high126 Ų12694 Ų9448%0.47547%0.469SS..EExtended strand (participates in β ladder)trans-146.7128.3173.1-175.760.360.5167.92.4109G9 Q10R7-G9 VanDerWaalsContact C-N 3.28Å; R7-G9 PolarHBondContact O-N 2.91Å; R7-Q10 PolarHBondContact N-O 3.28Å; R7-Q10 PolarHBondContact O-N 3.49Å
8R92.1Very high93.8Very high225 Ų22593.4 Ų93.485%0.84949%0.491SS*.THydrogen-bonded Turntrans55.840.2-179.9-61.2174.8177.2168.6-0.3112.7Q10 G151R8-Q10 PolarHBondContact O-N 2.84Å; R8-G151 PolarHBondContact N-O 3.49Å
9G91Very high94Very high61 Ų6189.6 Ų89.663%0.62947%0.472SS*.THydrogen-bonded Turntrans73.89.2178.200000115.2R7 G151R7-G9 VanDerWaalsContact C-N 3.28Å; R7-G9 PolarHBondContact O-N 2.91Å; G9-G151 PolarHBondContact N-O 3.48Å
10Q94.1Very high94.2Very high141 Ų14186.8 Ų86.866%0.65947%0.466SS*.EExtended strand (participates in β ladder)trans-128.3164.9177.7-59.3-175.414.200110.4T6 R7 R8T6-Q10 CarbonylContact C-O 3.6Å; T6-Q10 WeakPolarHBondContact CA-O 3.29Å; T6-Q10 WeakPolarHBondContact CB-O 3.33Å; R7-Q10 PolarHBondContact N-O 3.28Å; R7-Q10 PolarHBondContact O-N 3.49Å; R8-Q10 PolarHBondContact O-N 2.84Å
11I96.5Very high94.4Very high90 Ų9089 Ų8946%0.46248%0.477SS..EExtended strand (participates in β ladder)trans-61.3142.617359.9175.7000110.9Q15 K16I11-Q15 HydrophobicContact CB-CB 4.46Å; I11-K16 HydrophobicContact CD1-CB 4.29Å; I11-K16 HydrophobicContact CD1-CG 3.77Å; I11-K16 HydrophobicContact CG1-CG 3.94Å
12C96.8Very high94.9Very high13 Ų1386.9 Ų86.99%0.08847%0.469CS..  trans-57.1149.4175.9-75.30000111.4S4 L5 Y14 Q15 K16S4-C12 PolarHBondContact O-SG 3.13Å; L5-C12 PolarHBondContact O-N 3.1Å; C12-Y14 VanDerWaalsContact C-N 3.33Å; C12-Y14 HydrophobicContact CB-CD1 3.8Å; C12-Y14 HydrophobicContact CB-CE1 3.78Å; C12-Y14 PolarHBondContact O-N 3.42Å; C12-Q15 HydrophobicContact CB-CB 4.4Å; C12-Q15 HydrophobicContact CB-CG 3.99Å; C12-Q15 WeakPolarHBondContact O-CA 3.33Å; C12-Q15 WeakPolarHBondContact O-CB 3.42Å; C12-Q15 PolarHBondContact O-N 3.44Å; C12-K16 PolarHBondContact O-N 3.38Å
13W98.3Very high95.4Very high135 Ų13585.7 Ų85.751%0.51146%0.464SS..G310 helixtrans-53-48.2-175.8-179.2-115.7000112.9Q15 K16 V19 D26W13-Q15 PolarHBondContact O-N 2.98Å; W13-K16 HydrophobicContact CE3-CD 3.67Å; W13-K16 HydrophobicContact CE3-CG 4.44Å; W13-K16 HydrophobicContact CZ3-CD 3.74Å; W13-K16 WeakPolarHBondContact O-CB 3.5Å; W13-K16 WeakPolarHBondContact O-CG 3.48Å; W13-K16 PolarHBondContact O-N 3.07Å; W13-K16 VanDerWaalsContact O-N 3.13Å; W13-V19 HydrophobicContact CD2-CG1 4.28Å; W13-V19 HydrophobicContact CG-CG1 4.32Å; W13-V19 HydrophobicContact CH2-CG2 4.27Å; W13-V19 HydrophobicContact CZ2-CG1 4.24Å; W13-V19 HydrophobicContact CZ2-CG2 4.02Å; W13-V19 WeakPolarHBondContact O-CG1 3.39Å; W13-D26 PolarHBondContact NE1-OD2 2.91Å
14Y97.9Very high95.9Very high77 Ų7787.6 Ų87.630%0.30247%0.468SS..G310 helixtrans-66-18.7178.887-84.6000114.1S3 S4 C12 G20S3-Y14 WeakPolarHBondContact CA-OH 3.46Å; S3-Y14 PolarHBondContact O-OH 3.33Å; S4-Y14 WeakPolarHBondContact O-CE1 3.22Å; S4-Y14 PolarHBondContact O-OH 2.91Å; C12-Y14 VanDerWaalsContact C-N 3.33Å; C12-Y14 HydrophobicContact CB-CD1 3.8Å; C12-Y14 HydrophobicContact CB-CE1 3.78Å; C12-Y14 PolarHBondContact O-N 3.42Å; Y14-G20 WeakPolarHBondContact CB-O 3.46Å; Y14-G20 WeakPolarHBondContact O-CA 3.4Å; Y14-G20 PolarHBondContact O-N 3.44Å
15Q96.7Very high96.2Very high79 Ų7991.1 Ų91.137%0.36949%0.485SS..G310 helixtrans-85.8-9.5178-65.3-77.113.300112.4I11 C12 W13I11-Q15 HydrophobicContact CB-CB 4.46Å; C12-Q15 HydrophobicContact CB-CB 4.4Å; C12-Q15 HydrophobicContact CB-CG 3.99Å; C12-Q15 WeakPolarHBondContact O-CA 3.33Å; C12-Q15 WeakPolarHBondContact O-CB 3.42Å; C12-Q15 PolarHBondContact O-N 3.44Å; W13-Q15 PolarHBondContact O-N 2.98Å
16K97.7Very high96.6Very high90 Ų9088.3 Ų88.339%0.39147%0.471SS..SBendtrans-67.8135.9178.3-60.1-163.587.3-167.60110I11 C12 W13 G18 V19I11-K16 HydrophobicContact CD1-CB 4.29Å; I11-K16 HydrophobicContact CD1-CG 3.77Å; I11-K16 HydrophobicContact CG1-CG 3.94Å; C12-K16 PolarHBondContact O-N 3.38Å; W13-K16 HydrophobicContact CE3-CD 3.67Å; W13-K16 HydrophobicContact CE3-CG 4.44Å; W13-K16 HydrophobicContact CZ3-CD 3.74Å; W13-K16 WeakPolarHBondContact O-CB 3.5Å; W13-K16 WeakPolarHBondContact O-CG 3.48Å; W13-K16 PolarHBondContact O-N 3.07Å; W13-K16 VanDerWaalsContact O-N 3.13Å; K16-G18 PolarHBondContact O-N 3.34Å; K16-V19 HydrophobicContact CB-CB 4.32Å; K16-V19 HydrophobicContact CB-CG2 3.79Å; K16-V19 PolarHBondContact O-N 3.06Å
17P98Very high96.8Very high127 Ų12789 Ų8983%0.82548%0.48SS*.THydrogen-bonded Turntrans-54128.6173.6-26.234.6000111.1
18G97.6Very high97.1Very high84 Ų8487.4 Ų87.487%0.86648%0.481SS*.THydrogen-bonded Turntrans85.20.2-17900000116K16K16-G18 PolarHBondContact O-N 3.34Å
19V98.2Very high97.4Very high21 Ų2181.1 Ų81.113%0.12746%0.464CS..THydrogen-bonded Turntrans-100.1-61.3175-179.40000111W13 K16 L21 D22 A23W13-V19 HydrophobicContact CD2-CG1 4.28Å; W13-V19 HydrophobicContact CG-CG1 4.32Å; W13-V19 HydrophobicContact CH2-CG2 4.27Å; W13-V19 HydrophobicContact CZ2-CG1 4.24Å; W13-V19 HydrophobicContact CZ2-CG2 4.02Å; W13-V19 WeakPolarHBondContact O-CG1 3.39Å; K16-V19 HydrophobicContact CB-CB 4.32Å; K16-V19 HydrophobicContact CB-CG2 3.79Å; K16-V19 PolarHBondContact O-N 3.06Å; V19-L21 PolarHBondContact O-N 3.14Å; V19-D22 WeakPolarHBondContact O-CB 3.46Å; V19-D22 PolarHBondContact O-N 2.88Å; V19-A23 HydrophobicContact CG1-CB 3.9Å
20G97.4Very high97.7Very high33 Ų3384.4 Ų84.434%0.3447%0.466SS..G310 helixtrans55.1-136179.600000113Y14 D22 A23Y14-G20 WeakPolarHBondContact CB-O 3.46Å; Y14-G20 WeakPolarHBondContact O-CA 3.4Å; Y14-G20 PolarHBondContact O-N 3.44Å; G20-D22 VanDerWaalsContact C-N 3.3Å; G20-D22 PolarHBondContact O-N 3.03Å; G20-A23 VanDerWaalsContact O-CB 3.24Å; G20-A23 WeakPolarHBondContact O-CB 3.28Å; G20-A23 PolarHBondContact O-N 3.08Å
21L97.7Very high97.9Very high134 Ų13480.5 Ų80.570%0.70245%0.448SS*.G310 helixtrans-80.5-6.5-177.7-63.2-177.3000114.1V19 A23 I24V19-L21 PolarHBondContact O-N 3.14Å; L21-A23 PolarHBondContact O-N 3.18Å; L21-A23 VanDerWaalsContact O-N 3.12Å; L21-I24 HydrophobicContact CB-CD1 4.5Å; L21-I24 WeakPolarHBondContact O-CB 3.46Å; L21-I24 WeakPolarHBondContact O-CG1 3.44Å; L21-I24 PolarHBondContact O-N 3.02Å
22D98.3Very high98Very high116 Ų11678.4 Ų78.462%0.6244%0.444SS*.G310 helixtrans-60.7-21.8169.8-62.7-13.1000110.9V19 G20 I24 N25 D26V19-D22 WeakPolarHBondContact O-CB 3.46Å; V19-D22 PolarHBondContact O-N 2.88Å; G20-D22 VanDerWaalsContact C-N 3.3Å; G20-D22 PolarHBondContact O-N 3.03Å; D22-I24 PolarHBondContact O-N 3.36Å; D22-N25 PolarHBondContact O-N 3Å; D22-D26 PolarHBondContact O-N 3.36Å; D22-D26 VanDerWaalsContact O-N 3.08Å
23A98.3Very high98.1Very high14 Ų1480.4 Ų80.412%0.11646%0.458CS..Hα-helixtrans-48.9-26.3168.300000114.5V19 G20 L21 A27V19-A23 HydrophobicContact CG1-CB 3.9Å; G20-A23 VanDerWaalsContact O-CB 3.24Å; G20-A23 WeakPolarHBondContact O-CB 3.28Å; G20-A23 PolarHBondContact O-N 3.08Å; L21-A23 PolarHBondContact O-N 3.18Å; L21-A23 VanDerWaalsContact O-N 3.12Å; A23-A27 PolarHBondContact O-N 3.45Å
24I98.1Very high98.2Very high109 Ų10976.6 Ų76.656%0.55945%0.447SS*.Hα-helixtrans-66.1-46.7175.3-63.9171.9000110L21 D22 A27 N28L21-I24 HydrophobicContact CB-CD1 4.5Å; L21-I24 WeakPolarHBondContact O-CB 3.46Å; L21-I24 WeakPolarHBondContact O-CG1 3.44Å; L21-I24 PolarHBondContact O-N 3.02Å; D22-I24 PolarHBondContact O-N 3.36Å; I24-A27 PolarHBondContact O-N 3.44Å; I24-N28 PolarHBondContact O-N 2.89Å; I24-N28 PolarHBondContact O-ND2 3.06Å
25N98.4Very high98.2Very high94 Ų9475.5 Ų75.550%0.50344%0.442SS..Hα-helixtrans-69.3-36.9176.8-175.871000111.4D22 A27 N28 L29D22-N25 PolarHBondContact O-N 3Å; N25-A27 VanDerWaalsContact C-N 3.26Å; N25-A27 PolarHBondContact O-N 3.48Å; N25-N28 WeakPolarHBondContact O-CB 3.46Å; N25-N28 PolarHBondContact O-N 3.36Å; N25-N28 VanDerWaalsContact O-N 3.13Å; N25-L29 WeakPolarHBondContact O-CG 3.21Å; N25-L29 PolarHBondContact O-N 3.05Å
26D98.6Very high98.3Very high47 Ų4779.8 Ų79.825%0.25146%0.455SS..Hα-helixtrans-58.9-39.2174.1-63.6-30.1000111.9W13 D22 L29 L30W13-D26 PolarHBondContact NE1-OD2 2.91Å; D22-D26 PolarHBondContact O-N 3.36Å; D22-D26 VanDerWaalsContact O-N 3.08Å; D26-L29 WeakPolarHBondContact O-CB 3.44Å; D26-L29 PolarHBondContact O-N 2.86Å; D26-L30 WeakPolarHBondContact O-CG 3.44Å; D26-L30 PolarHBondContact O-N 2.89Å
27A98.2Very high98.4Very high53 Ų5380.1 Ų80.144%0.43846%0.461SS..Hα-helixtrans-62.3-42.3174.600000112.2A23 I24 N25 L29 L30 E31A23-A27 PolarHBondContact O-N 3.45Å; I24-A27 PolarHBondContact O-N 3.44Å; N25-A27 VanDerWaalsContact C-N 3.26Å; N25-A27 PolarHBondContact O-N 3.48Å; A27-L29 VanDerWaalsContact C-N 3.31Å; A27-L29 PolarHBondContact O-N 3.47Å; A27-L30 WeakPolarHBondContact O-CB 3.3Å; A27-L30 PolarHBondContact O-N 3.44Å; A27-E31 PolarHBondContact O-N 2.96Å; A27-E31 VanDerWaalsContact O-N 3.13Å
28N98.4Very high98.4Very high92 Ų9275 Ų7549%0.49243%0.426SS..Hα-helixtrans-63.8-36.9174.9-62.8-28.8000111.9I24 N25 E31 A32I24-N28 PolarHBondContact O-N 2.89Å; I24-N28 PolarHBondContact O-ND2 3.06Å; N25-N28 WeakPolarHBondContact O-CB 3.46Å; N25-N28 PolarHBondContact O-N 3.36Å; N25-N28 VanDerWaalsContact O-N 3.13Å; N28-E31 PolarHBondContact O-N 3.07Å; N28-A32 WeakPolarHBondContact O-CB 3.44Å; N28-A32 PolarHBondContact O-N 3.4Å
29L98.7Very high98.4Very high94 Ų9477.1 Ų77.149%0.49241%0.412SS..Hα-helixtrans-65.2-38.2174.8-71.4175000112N25 D26 A27 E31 A32 C33N25-L29 WeakPolarHBondContact O-CG 3.21Å; N25-L29 PolarHBondContact O-N 3.05Å; D26-L29 WeakPolarHBondContact O-CB 3.44Å; D26-L29 PolarHBondContact O-N 2.86Å; A27-L29 VanDerWaalsContact C-N 3.31Å; A27-L29 PolarHBondContact O-N 3.47Å; L29-E31 VanDerWaalsContact C-N 3.34Å; L29-A32 PolarHBondContact O-N 2.98Å; L29-C33 PolarHBondContact O-N 3.44Å; L29-C33 PolarHBondContact O-SG 3.2Å
30L98.6Very high98.5Very high129 Ų12980.9 Ų80.968%0.67543%0.43SS*.Hα-helixtrans-61.5-42.1174.5-68.9171.7000111.6D26 A27 C33D26-L30 WeakPolarHBondContact O-CG 3.44Å; D26-L30 PolarHBondContact O-N 2.89Å; A27-L30 WeakPolarHBondContact O-CB 3.3Å; A27-L30 PolarHBondContact O-N 3.44Å; L30-C33 WeakPolarHBondContact O-CB 3.49Å; L30-C33 PolarHBondContact O-N 3.31Å
31E98.4Very high98.5Very high60 Ų6087.7 Ų87.728%0.2845%0.447SS..Hα-helixtrans-66.1-45.9174.4-176.3175.3-145.700111.5A27 N28 L29 C33 I34 Y35 S59A27-E31 PolarHBondContact O-N 2.96Å; A27-E31 VanDerWaalsContact O-N 3.13Å; N28-E31 PolarHBondContact O-N 3.07Å; L29-E31 VanDerWaalsContact C-N 3.34Å; E31-C33 PolarHBondContact O-N 3.39Å; E31-C33 VanDerWaalsContact O-N 3.14Å; E31-I34 VanDerWaalsContact O-CB 3.25Å; E31-I34 WeakPolarHBondContact O-CB 3.27Å; E31-I34 PolarHBondContact O-N 3.27Å; E31-Y35 HydrophobicContact CG-CE2 4.02Å; E31-S59 WeakPolarHBondContact OE1-CB 3.05Å; E31-S59 PolarHBondContact OE1-OG 3.15Å
32A98.7Very high98.6Very high45 Ų4582 Ų8237%0.37242%0.419SS..Hα-helixtrans-56.6-33.9177.400000112.5N28 L29 I34 Y35 R36N28-A32 WeakPolarHBondContact O-CB 3.44Å; N28-A32 PolarHBondContact O-N 3.4Å; L29-A32 PolarHBondContact O-N 2.98Å; A32-I34 VanDerWaalsContact C-N 3.26Å; A32-I34 PolarHBondContact O-N 2.74Å; A32-Y35 PolarHBondContact O-N 2.93Å; A32-R36 WeakPolarHBondContact O-CG 3.18Å; A32-R36 PolarHBondContact O-N 2.95Å; A32-R36 VanDerWaalsContact O-N 3.12Å
33C98.9Very high98.6Very high56 Ų5682.6 Ų82.638%0.37841%0.412SS..Hα-helixtrans-59.3-32.7174.7-82.80000113.4L29 L30 E31 Y35 R36 L37L29-C33 PolarHBondContact O-N 3.44Å; L29-C33 PolarHBondContact O-SG 3.2Å; L30-C33 WeakPolarHBondContact O-CB 3.49Å; L30-C33 PolarHBondContact O-N 3.31Å; E31-C33 PolarHBondContact O-N 3.39Å; E31-C33 VanDerWaalsContact O-N 3.14Å; C33-Y35 PolarHBondContact O-N 3.32Å; C33-R36 PolarHBondContact O-N 3.02Å; C33-L37 WeakPolarHBondContact O-CB 3.48Å; C33-L37 VanDerWaalsContact O-CG 3.26Å; C33-L37 WeakPolarHBondContact O-CG 3.49Å; C33-L37 PolarHBondContact O-N 3.01Å
34I98.8Very high98.6Very high55 Ų5589.1 Ų89.128%0.28244%0.44SS..Hα-helixtrans-56.8-53.9176-64168.9000109.5E31 A32 R36 L37 L38 F55E31-I34 VanDerWaalsContact O-CB 3.25Å; E31-I34 WeakPolarHBondContact O-CB 3.27Å; E31-I34 PolarHBondContact O-N 3.27Å; A32-I34 VanDerWaalsContact C-N 3.26Å; A32-I34 PolarHBondContact O-N 2.74Å; I34-R36 VanDerWaalsContact C-N 3.33Å; I34-R36 PolarHBondContact O-N 3.37Å; I34-L37 PolarHBondContact O-N 3Å; I34-L38 HydrophobicContact CG2-CD1 3.97Å; I34-L38 HydrophobicContact CG2-CG 4.41Å; I34-L38 WeakPolarHBondContact O-CG 3.25Å; I34-L38 PolarHBondContact O-N 3.2Å; I34-F55 HydrophobicContact CD1-CD1 4.48Å; I34-F55 HydrophobicContact CG2-CB 4.48Å; I34-F55 HydrophobicContact CG2-CD1 3.57Å; I34-F55 HydrophobicContact CG2-CE1 3.89Å; I34-F55 HydrophobicContact CG2-CG 4.04Å
35Y98.6Very high98.6Very high54 Ų5487.8 Ų87.821%0.21243%0.432CS..Hα-helixtrans-68.9-32.1-177.3-55.9-68.1000112.9E31 A32 C33 K39 I52 F55 L56E31-Y35 HydrophobicContact CG-CE2 4.02Å; A32-Y35 PolarHBondContact O-N 2.93Å; C33-Y35 PolarHBondContact O-N 3.32Å; Y35-K39 VanDerWaalsContact O-CB 3.25Å; Y35-K39 WeakPolarHBondContact O-CB 3.17Å; Y35-K39 PolarHBondContact O-N 3.12Å; Y35-I52 HydrophobicContact CD1-CD1 3.81Å; Y35-F55 HydrophobicContact CE1-CB 4.4Å; Y35-L56 HydrophobicContact CE1-CD2 4.02Å; Y35-L56 HydrophobicContact CE1-CG 3.9Å; Y35-L56 WeakPolarHBondContact OH-CD2 3.33Å
36R98.8Very high98.7Very high168 Ų16889.1 Ų89.163%0.63445%0.445SS*.Hα-helixtrans-62.1-45.8171.4-69.3-172.869.1-155.5-0.9111.3A32 C33 I34 K39 L40A32-R36 WeakPolarHBondContact O-CG 3.18Å; A32-R36 PolarHBondContact O-N 2.95Å; A32-R36 VanDerWaalsContact O-N 3.12Å; C33-R36 PolarHBondContact O-N 3.02Å; I34-R36 VanDerWaalsContact C-N 3.33Å; I34-R36 PolarHBondContact O-N 3.37Å; R36-K39 PolarHBondContact O-N 2.85Å; R36-L40 WeakPolarHBondContact O-CB 3.45Å; R36-L40 WeakPolarHBondContact O-CG 3.36Å; R36-L40 PolarHBondContact O-N 2.95Å
37L98.9Very high98.7Very high97 Ų9788.6 Ų88.651%0.50844%0.44SS..Hα-helixtrans-66.8-47179-68.8171.3000111.4C33 I34 K39 L40 Y41C33-L37 WeakPolarHBondContact O-CB 3.48Å; C33-L37 VanDerWaalsContact O-CG 3.26Å; C33-L37 WeakPolarHBondContact O-CG 3.49Å; C33-L37 PolarHBondContact O-N 3.01Å; I34-L37 PolarHBondContact O-N 3Å; L37-K39 VanDerWaalsContact C-N 3.29Å; L37-K39 PolarHBondContact O-N 2.77Å; L37-L40 PolarHBondContact O-N 3.47Å; L37-L40 VanDerWaalsContact O-N 3.13Å; L37-Y41 HydrophobicContact CD2-CD2 4.28Å; L37-Y41 HydrophobicContact CD2-CE2 3.8Å; L37-Y41 VanDerWaalsContact O-CD2 3.3Å; L37-Y41 WeakPolarHBondContact O-CD2 3.45Å; L37-Y41 PolarHBondContact O-N 3.34Å
38L98.8Very high98.7Very high19 Ų1989 Ų8910%0.09943%0.431CS..Hα-helixtrans-56.9-44175.9-69.1177.1000111.2I34 C42 R43 Y48 L51 I52 F55I34-L38 HydrophobicContact CG2-CD1 3.97Å; I34-L38 HydrophobicContact CG2-CG 4.41Å; I34-L38 WeakPolarHBondContact O-CG 3.25Å; I34-L38 PolarHBondContact O-N 3.2Å; L38-C42 CarbonylContact O-C 3.57Å; L38-C42 VanDerWaalsContact O-CA 3.27Å; L38-C42 WeakPolarHBondContact O-CA 3.44Å; L38-C42 WeakPolarHBondContact O-CB 3.47Å; L38-C42 PolarHBondContact O-N 2.78Å; L38-R43 PolarHBondContact O-N 3.26Å; L38-Y48 HydrophobicContact CB-CE2 4.17Å; L38-Y48 WeakPolarHBondContact O-CE2 3.49Å; L38-L51 HydrophobicContact CD2-CB 4.29Å; L38-L51 HydrophobicContact CD2-CD1 4.07Å; L38-I52 HydrophobicContact CB-CD1 3.98Å; L38-I52 HydrophobicContact CD1-CD1 3.81Å; L38-F55 HydrophobicContact CD1-CD2 3.92Å; L38-F55 HydrophobicContact CD1-CE2 4.33Å; L38-F55 HydrophobicContact CD1-CG 4.27Å; L38-F55 HydrophobicContact CD2-CE2 4.45Å
39K98.7Very high98.7Very high129 Ų12989.5 Ų89.556%0.56143%0.433SS*.Hα-helixtrans-65.9-39.6176.4-176.1176.2179.7176.40112.9Y35 R36 L37 R43Y35-K39 VanDerWaalsContact O-CB 3.25Å; Y35-K39 WeakPolarHBondContact O-CB 3.17Å; Y35-K39 PolarHBondContact O-N 3.12Å; R36-K39 PolarHBondContact O-N 2.85Å; L37-K39 VanDerWaalsContact C-N 3.29Å; L37-K39 PolarHBondContact O-N 2.77Å; K39-R43 WeakPolarHBondContact O-CB 3.32Å; K39-R43 WeakPolarHBondContact O-CD 3.48Å; K39-R43 WeakPolarHBondContact O-CG 3.41Å; K39-R43 PolarHBondContact O-NH1 3.29Å
40L98.8Very high98.7Very high100 Ų10087.2 Ų87.252%0.52442%0.421SS..Hα-helixtrans-66.8-45-178.7-78.1168.5000111.9R36 L37 R43R36-L40 WeakPolarHBondContact O-CB 3.45Å; R36-L40 WeakPolarHBondContact O-CG 3.36Å; R36-L40 PolarHBondContact O-N 2.95Å; L37-L40 PolarHBondContact O-N 3.47Å; L37-L40 VanDerWaalsContact O-N 3.13Å; L40-R43 PolarHBondContact O-NH1 3.45Å; L40-R43 VanDerWaalsContact O-NH1 3.1Å
41Y98.8Very high98.7Very high177 Ų17781.2 Ų81.269%0.69439%0.39SS*.Hα-helixtrans-102.3-23.9-169.3-66.7-76.6000114.2L37L37-Y41 HydrophobicContact CD2-CD2 4.28Å; L37-Y41 HydrophobicContact CD2-CE2 3.8Å; L37-Y41 VanDerWaalsContact O-CD2 3.3Å; L37-Y41 WeakPolarHBondContact O-CD2 3.45Å; L37-Y41 PolarHBondContact O-N 3.34Å
42C98.7Very high98.7Very high15 Ų1579.6 Ų79.610%0.10138%0.383CS..Hα-helixtrans-119.3-5.8-170.7-53.50000114.1L38 E44 Q45 Y47 Y48L38-C42 CarbonylContact O-C 3.57Å; L38-C42 VanDerWaalsContact O-CA 3.27Å; L38-C42 WeakPolarHBondContact O-CA 3.44Å; L38-C42 WeakPolarHBondContact O-CB 3.47Å; L38-C42 PolarHBondContact O-N 2.78Å; C42-E44 PolarHBondContact O-N 3.22Å; C42-Q45 HydrophobicContact CB-CG 4.34Å; C42-Q45 VanDerWaalsContact O-CB 3.25Å; C42-Q45 WeakPolarHBondContact O-CB 3.49Å; C42-Q45 PolarHBondContact O-N 3.02Å; C42-Y47 HydrophobicContact CB-CE2 4.36Å; C42-Y48 HydrophobicContact CB-CD2 4.03Å; C42-Y48 VanDerWaalsContact O-CB 3.3Å; C42-Y48 WeakPolarHBondContact O-CB 3.45Å
43R98.6Very high98.7Very high128 Ų12882.7 Ų82.748%0.48339%0.389SS..THydrogen-bonded Turntrans-56-25.7-173.665.4174.8-172.7-82.1-11.4116L38 K39 L40 Y48L38-R43 PolarHBondContact O-N 3.26Å; K39-R43 WeakPolarHBondContact O-CB 3.32Å; K39-R43 WeakPolarHBondContact O-CD 3.48Å; K39-R43 WeakPolarHBondContact O-CG 3.41Å; K39-R43 PolarHBondContact O-NH1 3.29Å; L40-R43 PolarHBondContact O-NH1 3.45Å; L40-R43 VanDerWaalsContact O-NH1 3.1Å; R43-Y48 HydrophobicContact CB-CE2 4.5Å
44E98.6Very high98.7Very high151 Ų15180.2 Ų80.271%0.70637%0.373SS*.THydrogen-bonded Turntrans-96.2-4179.1-76.9158.9-142.200112.4C42C42-E44 PolarHBondContact O-N 3.22Å
45Q98.8Very high98.7Very high81 Ų8179.9 Ų79.938%0.37937%0.369SS..SBendtrans-82.6143.7179.4-58.5-62.1-3400110.7C42 Y47 Y48C42-Q45 HydrophobicContact CB-CG 4.34Å; C42-Q45 VanDerWaalsContact O-CB 3.25Å; C42-Q45 WeakPolarHBondContact O-CB 3.49Å; C42-Q45 PolarHBondContact O-N 3.02Å; Q45-Y47 HydrophobicContact CB-CD1 4.24Å; Q45-Y47 HydrophobicContact CB-CD2 3.99Å; Q45-Y47 HydrophobicContact CB-CE1 3.86Å; Q45-Y47 HydrophobicContact CB-CE2 3.58Å; Q45-Y47 HydrophobicContact CB-CG 4.3Å; Q45-Y47 HydrophobicContact CG-CE1 4.31Å; Q45-Y47 HydrophobicContact CG-CE2 3.97Å; Q45-Y47 PolarHBondContact O-N 3.06Å; Q45-Y48 VanDerWaalsContact O-CB 3.3Å; Q45-Y48 WeakPolarHBondContact O-CB 3.44Å; Q45-Y48 PolarHBondContact O-N 2.82Å
46P98.5Very high98.8Very high122 Ų12281.5 Ų81.579%0.79238%0.381SS*.THydrogen-bonded Turntrans-63-27.5-177.825.9-34.8000112.8Y48P46-Y48 VanDerWaalsContact C-N 3.34Å
47Y98.6Very high98.8Very high36 Ų3678 Ų7814%0.14137%0.372CS..THydrogen-bonded Turntrans-87.55.7178.753.5-107000114.1C42 Q45 L49 N50 L51 Y110 M111C42-Y47 HydrophobicContact CB-CE2 4.36Å; Q45-Y47 HydrophobicContact CB-CD1 4.24Å; Q45-Y47 HydrophobicContact CB-CD2 3.99Å; Q45-Y47 HydrophobicContact CB-CE1 3.86Å; Q45-Y47 HydrophobicContact CB-CE2 3.58Å; Q45-Y47 HydrophobicContact CB-CG 4.3Å; Q45-Y47 HydrophobicContact CG-CE1 4.31Å; Q45-Y47 HydrophobicContact CG-CE2 3.97Å; Q45-Y47 PolarHBondContact O-N 3.06Å; Y47-L49 VanDerWaalsContact C-N 3.35Å; Y47-L49 PolarHBondContact O-N 3.19Å; Y47-N50 WeakPolarHBondContact O-CB 3.21Å; Y47-N50 PolarHBondContact O-N 3.4Å; Y47-L51 HydrophobicContact CD2-CD1 3.58Å; Y47-L51 HydrophobicContact CD2-CG 3.96Å; Y47-L51 HydrophobicContact CE2-CD1 3.8Å; Y47-L51 PolarHBondContact O-N 3.35Å; Y47-Y110 WeakPolarHBondContact CB-O 3.34Å; Y47-M111 HydrophobicContact CD2-CG 4.02Å; Y47-M111 HydrophobicContact CE1-CB 4.35Å; Y47-M111 HydrophobicContact CE1-CG 4.43Å; Y47-M111 HydrophobicContact CE2-CB 4.49Å; Y47-M111 HydrophobicContact CE2-CG 3.71Å
48Y98.8Very high98.7Very high62 Ų6273.6 Ų73.624%0.24335%0.349CS..Hα-helixtrans-53.4-50.4-176.7177.1-122.6000112.5L38 C42 R43 Q45 P46 L51 I52L38-Y48 HydrophobicContact CB-CE2 4.17Å; L38-Y48 WeakPolarHBondContact O-CE2 3.49Å; C42-Y48 HydrophobicContact CB-CD2 4.03Å; C42-Y48 VanDerWaalsContact O-CB 3.3Å; C42-Y48 WeakPolarHBondContact O-CB 3.45Å; R43-Y48 HydrophobicContact CB-CE2 4.5Å; Q45-Y48 VanDerWaalsContact O-CB 3.3Å; Q45-Y48 WeakPolarHBondContact O-CB 3.44Å; Q45-Y48 PolarHBondContact O-N 2.82Å; P46-Y48 VanDerWaalsContact C-N 3.34Å; Y48-L51 PolarHBondContact O-N 2.89Å; Y48-I52 HydrophobicContact CD2-CG1 4.16Å; Y48-I52 HydrophobicContact CE1-CG1 4.27Å; Y48-I52 HydrophobicContact CE2-CD1 3.83Å; Y48-I52 HydrophobicContact CE2-CG1 3.73Å; Y48-I52 WeakPolarHBondContact O-CG1 3.43Å; Y48-I52 PolarHBondContact O-N 3.48Å
49L98.8Very high98.7Very high101 Ų10174 Ų7453%0.52935%0.353SS..Hα-helixtrans-65.8-42.5-178.7-175.460.7000111.4Y47 L51 I52 E53Y47-L49 VanDerWaalsContact C-N 3.35Å; Y47-L49 PolarHBondContact O-N 3.19Å; L49-L51 VanDerWaalsContact C-N 3.27Å; L49-L51 PolarHBondContact O-N 3.36Å; L49-I52 PolarHBondContact O-N 3.34Å; L49-I52 VanDerWaalsContact O-N 3.12Å; L49-E53 HydrophobicContact CD1-CG 4.19Å; L49-E53 HydrophobicContact CG-CG 4.38Å; L49-E53 WeakPolarHBondContact O-CG 3.36Å; L49-E53 PolarHBondContact O-N 3.48Å
50N98.8Very high98.7Very high47 Ų4774.8 Ų74.825%0.25135%0.354SS..Hα-helixtrans-55.5-43175.3-66.4-23.8000111.7Y47 L54 Y110Y47-N50 WeakPolarHBondContact O-CB 3.21Å; Y47-N50 PolarHBondContact O-N 3.4Å; N50-L54 WeakPolarHBondContact O-CB 3.37Å; N50-L54 PolarHBondContact O-N 3.19Å; N50-Y110 HydrophobicContact CB-CD1 3.69Å; N50-Y110 HydrophobicContact CB-CD2 4Å; N50-Y110 HydrophobicContact CB-CE1 3.88Å; N50-Y110 HydrophobicContact CB-CE2 4.18Å; N50-Y110 HydrophobicContact CB-CG 3.76Å
51L98.9Very high98.7Very high3 Ų370.9 Ų70.92%0.01633%0.333CS..Hα-helixtrans-66.6-46.7175.8-66.9-175.6000111.5L38 Y47 Y48 L49 E53 L54 F55 A107 M111L38-L51 HydrophobicContact CD2-CB 4.29Å; L38-L51 HydrophobicContact CD2-CD1 4.07Å; Y47-L51 HydrophobicContact CD2-CD1 3.58Å; Y47-L51 HydrophobicContact CD2-CG 3.96Å; Y47-L51 HydrophobicContact CE2-CD1 3.8Å; Y47-L51 PolarHBondContact O-N 3.35Å; Y48-L51 PolarHBondContact O-N 2.89Å; L49-L51 VanDerWaalsContact C-N 3.27Å; L49-L51 PolarHBondContact O-N 3.36Å; L51-E53 VanDerWaalsContact C-N 3.33Å; L51-E53 PolarHBondContact O-N 3.01Å; L51-L54 PolarHBondContact O-N 3.37Å; L51-F55 VanDerWaalsContact O-CD2 3.25Å; L51-F55 WeakPolarHBondContact O-CD2 3.16Å; L51-F55 PolarHBondContact O-N 2.83Å; L51-A107 HydrophobicContact CD2-CB 3.87Å; L51-M111 HydrophobicContact CD1-CG 4.06Å; L51-M111 HydrophobicContact CD1-SD 4.34Å; L51-M111 HydrophobicContact CD2-CG 4.42Å
52I98.8Very high98.7Very high25 Ų2563.7 Ų63.713%0.12831%0.307CS..Hα-helixtrans-55.8-49.5178.6-67.5-70.7000110.8Y35 L38 Y48 L49 F55 L56Y35-I52 HydrophobicContact CD1-CD1 3.81Å; L38-I52 HydrophobicContact CB-CD1 3.98Å; L38-I52 HydrophobicContact CD1-CD1 3.81Å; Y48-I52 HydrophobicContact CD2-CG1 4.16Å; Y48-I52 HydrophobicContact CE1-CG1 4.27Å; Y48-I52 HydrophobicContact CE2-CD1 3.83Å; Y48-I52 HydrophobicContact CE2-CG1 3.73Å; Y48-I52 WeakPolarHBondContact O-CG1 3.43Å; Y48-I52 PolarHBondContact O-N 3.48Å; L49-I52 PolarHBondContact O-N 3.34Å; L49-I52 VanDerWaalsContact O-N 3.12Å; I52-F55 PolarHBondContact O-N 3.11Å; I52-L56 HydrophobicContact CG2-CD1 3.75Å; I52-L56 WeakPolarHBondContact O-CB 3.43Å; I52-L56 VanDerWaalsContact O-CG 3.31Å; I52-L56 WeakPolarHBondContact O-CG 3.43Å; I52-L56 PolarHBondContact O-N 3Å
53E98.8Very high98.7Very high110 Ų11067.8 Ų67.851%0.51433%0.325SS..Hα-helixtrans-65.5-40.9179.7-68.8-177.3162.800112.2L49 L51 L56 Q57L49-E53 HydrophobicContact CD1-CG 4.19Å; L49-E53 HydrophobicContact CG-CG 4.38Å; L49-E53 WeakPolarHBondContact O-CG 3.36Å; L49-E53 PolarHBondContact O-N 3.48Å; L51-E53 VanDerWaalsContact C-N 3.33Å; L51-E53 PolarHBondContact O-N 3.01Å; E53-L56 PolarHBondContact O-N 2.81Å; E53-Q57 VanDerWaalsContact O-CB 3.23Å; E53-Q57 WeakPolarHBondContact O-CB 3.19Å; E53-Q57 PolarHBondContact O-N 2.8Å
54L98.8Very high98.7Very high5 Ų564.5 Ų64.53%0.02632%0.316CS..Hα-helixtrans-61.5-45.1176.6175.765.2000112.1N50 L51 S58 Y102 L103 A106 A107 Y110N50-L54 WeakPolarHBondContact O-CB 3.37Å; N50-L54 PolarHBondContact O-N 3.19Å; L51-L54 PolarHBondContact O-N 3.37Å; L54-S58 WeakPolarHBondContact O-CB 3.45Å; L54-S58 PolarHBondContact O-N 3.41Å; L54-S58 PolarHBondContact O-OG 3.25Å; L54-Y102 HydrophobicContact CD1-CD1 4.31Å; L54-Y102 HydrophobicContact CD1-CE1 3.76Å; L54-L103 HydrophobicContact CD1-CD1 4.37Å; L54-L103 HydrophobicContact CD2-CD1 3.86Å; L54-L103 HydrophobicContact CG-CD1 3.65Å; L54-A106 HydrophobicContact CD1-CB 3.98Å; L54-A106 HydrophobicContact CD2-CB 3.71Å; L54-A107 HydrophobicContact CD2-CB 3.97Å; L54-Y110 HydrophobicContact CB-CE2 4.28Å; L54-Y110 HydrophobicContact CD2-CD2 3.95Å; L54-Y110 HydrophobicContact CD2-CE2 4.04Å
55F98.8Very high98.6Very high48 Ų4857.3 Ų57.321%0.21128%0.283CS..Hα-helixtrans-66.7-45.6178.5-87.1-92000111.1I34 Y35 L38 L51 I52 Q57 S58 S59 L103I34-F55 HydrophobicContact CD1-CD1 4.48Å; I34-F55 HydrophobicContact CG2-CB 4.48Å; I34-F55 HydrophobicContact CG2-CD1 3.57Å; I34-F55 HydrophobicContact CG2-CE1 3.89Å; I34-F55 HydrophobicContact CG2-CG 4.04Å; Y35-F55 HydrophobicContact CE1-CB 4.4Å; L38-F55 HydrophobicContact CD1-CD2 3.92Å; L38-F55 HydrophobicContact CD1-CE2 4.33Å; L38-F55 HydrophobicContact CD1-CG 4.27Å; L38-F55 HydrophobicContact CD2-CE2 4.45Å; L51-F55 VanDerWaalsContact O-CD2 3.25Å; L51-F55 WeakPolarHBondContact O-CD2 3.16Å; L51-F55 PolarHBondContact O-N 2.83Å; I52-F55 PolarHBondContact O-N 3.11Å; F55-Q57 PolarHBondContact O-N 3.19Å; F55-S58 PolarHBondContact O-N 3.18Å; F55-S59 PolarHBondContact O-N 2.98Å; F55-S59 PolarHBondContact O-OG 2.97Å; F55-L103 HydrophobicContact CD1-CD1 4.16Å; F55-L103 HydrophobicContact CD1-CD2 4.24Å; F55-L103 HydrophobicContact CD2-CD1 4.07Å; F55-L103 HydrophobicContact CE1-CD1 4.19Å; F55-L103 HydrophobicContact CE1-CD2 4.14Å; F55-L103 HydrophobicContact CE2-CD1 4.12Å; F55-L103 HydrophobicContact CG-CD1 4.12Å; F55-L103 HydrophobicContact CZ-CD1 4.18Å
56L98.8Very high98.5Very high88 Ų8855.6 Ų55.646%0.46128%0.275SS..Hα-helixtrans-58.9-46.3175-74.5165.7000112.1Y35 I52 E53 S58 S59 Y60Y35-L56 HydrophobicContact CE1-CD2 4.02Å; Y35-L56 HydrophobicContact CE1-CG 3.9Å; Y35-L56 WeakPolarHBondContact OH-CD2 3.33Å; I52-L56 HydrophobicContact CG2-CD1 3.75Å; I52-L56 WeakPolarHBondContact O-CB 3.43Å; I52-L56 VanDerWaalsContact O-CG 3.31Å; I52-L56 WeakPolarHBondContact O-CG 3.43Å; I52-L56 PolarHBondContact O-N 3Å; E53-L56 PolarHBondContact O-N 2.81Å; L56-S58 VanDerWaalsContact C-N 3.29Å; L56-S58 PolarHBondContact O-N 3.29Å; L56-S59 PolarHBondContact O-N 3.45Å; L56-Y60 PolarHBondContact O-N 3.19Å
57Q98.8Very high98.4Very high95 Ų9553.3 Ų53.344%0.44426%0.258SS..Hα-helixtrans-63-38.4178.3-175.6176.445.900111.5E53 F55 Y60 Q61E53-Q57 VanDerWaalsContact O-CB 3.23Å; E53-Q57 WeakPolarHBondContact O-CB 3.19Å; E53-Q57 PolarHBondContact O-N 2.8Å; F55-Q57 PolarHBondContact O-N 3.19Å; Q57-Y60 PolarHBondContact O-N 3.22Å; Q57-Q61 HydrophobicContact CG-CG 4.45Å; Q57-Q61 WeakPolarHBondContact O-CB 3.32Å; Q57-Q61 VanDerWaalsContact O-CG 3.24Å; Q57-Q61 WeakPolarHBondContact O-CG 3.01Å; Q57-Q61 PolarHBondContact O-N 3.35Å
58S98.6Very high98.3Very high3 Ų353.9 Ų53.92%0.02126%0.264CS..Hα-helixtrans-68.8-40178.3-58.90000112.1L54 F55 L56 T62L54-S58 WeakPolarHBondContact O-CB 3.45Å; L54-S58 PolarHBondContact O-N 3.41Å; L54-S58 PolarHBondContact O-OG 3.25Å; F55-S58 PolarHBondContact O-N 3.18Å; L56-S58 VanDerWaalsContact C-N 3.29Å; L56-S58 PolarHBondContact O-N 3.29Å; S58-T62 WeakPolarHBondContact O-CB 3.46Å; S58-T62 PolarHBondContact O-N 2.97Å; S58-T62 PolarHBondContact O-OG1 3.35Å
59S98.6Very high98.1Very high27 Ų2751.4 Ų51.419%0.18926%0.255CS..Hα-helixtrans-58.3-53171.3-690000110.4E31 F55 L56 Q61 T62 E63E31-S59 WeakPolarHBondContact OE1-CB 3.05Å; E31-S59 PolarHBondContact OE1-OG 3.15Å; F55-S59 PolarHBondContact O-N 2.98Å; F55-S59 PolarHBondContact O-OG 2.97Å; L56-S59 PolarHBondContact O-N 3.45Å; S59-Q61 PolarHBondContact O-N 2.93Å; S59-T62 WeakPolarHBondContact O-CB 3.48Å; S59-T62 PolarHBondContact O-N 3.34Å; S59-T62 VanDerWaalsContact O-N 3.08Å; S59-E63 WeakPolarHBondContact O-CG 3.42Å; S59-E63 PolarHBondContact O-N 2.79Å
60Y98.7Very high97.7Very high146 Ų14649.7 Ų49.757%0.57325%0.246SC*.Hα-helixtrans-57.6-46.4179.7175.6-109.9000112.8L56 Q57 T62 E63 I64L56-Y60 PolarHBondContact O-N 3.19Å; Q57-Y60 PolarHBondContact O-N 3.22Å; Y60-T62 VanDerWaalsContact C-N 3.3Å; Y60-T62 PolarHBondContact O-N 3.02Å; Y60-E63 PolarHBondContact O-N 3.48Å; Y60-I64 HydrophobicContact CD1-CG1 4.48Å; Y60-I64 HydrophobicContact CD2-CG1 4.26Å; Y60-I64 HydrophobicContact CE1-CG1 4.05Å; Y60-I64 HydrophobicContact CE2-CD1 3.93Å; Y60-I64 HydrophobicContact CE2-CG1 3.81Å; Y60-I64 WeakPolarHBondContact O-CG1 3.28Å; Y60-I64 PolarHBondContact O-N 3.04Å
61Q98.7Very high97.4Very high19 Ų1953.1 Ų53.19%0.08926%0.264CS..Hα-helixtrans-59.9-42.3176.7-76.4166.7-800111.6Q57 S59 I64 G65 Y94 F98Q57-Q61 HydrophobicContact CG-CG 4.45Å; Q57-Q61 WeakPolarHBondContact O-CB 3.32Å; Q57-Q61 VanDerWaalsContact O-CG 3.24Å; Q57-Q61 WeakPolarHBondContact O-CG 3.01Å; Q57-Q61 PolarHBondContact O-N 3.35Å; S59-Q61 PolarHBondContact O-N 2.93Å; Q61-I64 PolarHBondContact O-N 2.92Å; Q61-G65 PolarHBondContact O-N 2.89Å; Q61-Y94 CarbonylContact C-O 3.4Å; Q61-Y94 HydrophobicContact CB-CD1 4.15Å; Q61-Y94 HydrophobicContact CG-CD1 4.23Å; Q61-Y94 HydrophobicContact CG-CE1 4.42Å; Q61-Y94 CarbonylContact O-C 3.56Å; Q61-Y94 WeakPolarHBondContact O-CB 3.4Å; Q61-F98 HydrophobicContact CB-CB 4.32Å; Q61-F98 HydrophobicContact CB-CD2 4.01Å; Q61-F98 HydrophobicContact CB-CG 4.27Å; Q61-F98 HydrophobicContact CG-CD2 4.19Å; Q61-F98 HydrophobicContact CG-CE2 4.37Å; Q61-F98 HydrophobicContact CG-CG 4.44Å; Q61-F98 VanDerWaalsContact OE1-CB 3.26Å
62T98.4Very high97.1Very high25 Ų2553 Ų5315%0.15326%0.263CS..Hα-helixtrans-64.2-44.7178.5-56.60000111.1S58 S59 Y60 G65 Q66 Y94 Y99S58-T62 WeakPolarHBondContact O-CB 3.46Å; S58-T62 PolarHBondContact O-N 2.97Å; S58-T62 PolarHBondContact O-OG1 3.35Å; S59-T62 WeakPolarHBondContact O-CB 3.48Å; S59-T62 PolarHBondContact O-N 3.34Å; S59-T62 VanDerWaalsContact O-N 3.08Å; Y60-T62 VanDerWaalsContact C-N 3.3Å; Y60-T62 PolarHBondContact O-N 3.02Å; T62-G65 CarbonylContact O-C 3.6Å; T62-G65 WeakPolarHBondContact O-CA 3.47Å; T62-G65 PolarHBondContact O-N 3.03Å; T62-G65 VanDerWaalsContact O-N 3.14Å; T62-Q66 WeakPolarHBondContact O-CG 3.43Å; T62-Q66 PolarHBondContact O-N 3.31Å; T62-Y94 WeakPolarHBondContact CA-O 3.47Å; T62-Y99 HydrophobicContact CG2-CD1 4.09Å; T62-Y99 HydrophobicContact CG2-CE1 4.45Å
63E98.1Very high96.5Very high102 Ų10252.2 Ų52.248%0.47726%0.26SS..Hα-helixtrans-65.1-38.6178.4-70.9170.1178.700112.9S59 Y60 G65 Q66 T67S59-E63 WeakPolarHBondContact O-CG 3.42Å; S59-E63 PolarHBondContact O-N 2.79Å; Y60-E63 PolarHBondContact O-N 3.48Å; E63-G65 VanDerWaalsContact C-N 3.33Å; E63-Q66 PolarHBondContact O-N 3.1Å; E63-T67 WeakPolarHBondContact O-CB 3.35Å; E63-T67 PolarHBondContact O-N 3.42Å; E63-T67 PolarHBondContact O-OG1 3.24Å
64I98.2Very high95.7Very high59 Ų5948.9 Ų48.930%0.30325%0.248SC..Hα-helixtrans-61.5-44.5170.6-69.2-65.6000110.3Y60 Q61 Q66 T67 L68Y60-I64 HydrophobicContact CD1-CG1 4.48Å; Y60-I64 HydrophobicContact CD2-CG1 4.26Å; Y60-I64 HydrophobicContact CE1-CG1 4.05Å; Y60-I64 HydrophobicContact CE2-CD1 3.93Å; Y60-I64 HydrophobicContact CE2-CG1 3.81Å; Y60-I64 WeakPolarHBondContact O-CG1 3.28Å; Y60-I64 PolarHBondContact O-N 3.04Å; Q61-I64 PolarHBondContact O-N 2.92Å; I64-Q66 PolarHBondContact O-N 2.86Å; I64-T67 WeakPolarHBondContact O-CB 3.48Å; I64-T67 PolarHBondContact O-N 3.28Å; I64-L68 HydrophobicContact CG2-CD1 4.44Å; I64-L68 WeakPolarHBondContact O-CG 3.3Å; I64-L68 PolarHBondContact O-N 3.04Å
65G97.9Very high94.6Very high0 Ų054.9 Ų54.90%028%0.276CS..Hα-helixtrans-60-43.8174.800000113Q61 T62 E63 T67 L68 D69Q61-G65 PolarHBondContact O-N 2.89Å; T62-G65 CarbonylContact O-C 3.6Å; T62-G65 WeakPolarHBondContact O-CA 3.47Å; T62-G65 PolarHBondContact O-N 3.03Å; T62-G65 VanDerWaalsContact O-N 3.14Å; E63-G65 VanDerWaalsContact C-N 3.33Å; G65-T67 VanDerWaalsContact C-N 3.34Å; G65-L68 PolarHBondContact O-N 3.2Å; G65-D69 PolarHBondContact O-N 2.85Å
66Q96.5Very high93.4Very high45 Ų4556.6 Ų56.621%0.2131%0.307CS..Hα-helixtrans-64.2-38.9175.3-70.8-68.917.100112T62 E63 I64 L68 D69 L70 K95T62-Q66 WeakPolarHBondContact O-CG 3.43Å; T62-Q66 PolarHBondContact O-N 3.31Å; E63-Q66 PolarHBondContact O-N 3.1Å; I64-Q66 PolarHBondContact O-N 2.86Å; Q66-L68 VanDerWaalsContact C-N 3.34Å; Q66-L68 PolarHBondContact O-N 3.41Å; Q66-D69 WeakPolarHBondContact O-CB 3.3Å; Q66-D69 PolarHBondContact O-N 3.41Å; Q66-L70 VanDerWaalsContact O-CG 3.29Å; Q66-L70 WeakPolarHBondContact O-CG 3.33Å; Q66-L70 PolarHBondContact O-N 3.5Å; Q66-K95 HydrophobicContact CG-CG 4.31Å
67T96.6Very high92.5Very high73 Ų7357.2 Ų57.245%0.44831%0.311SS..Hα-helixtrans-61.1-45.7174.3-59.10000110.7E63 I64 G65 D69 L70 L71E63-T67 WeakPolarHBondContact O-CB 3.35Å; E63-T67 PolarHBondContact O-N 3.42Å; E63-T67 PolarHBondContact O-OG1 3.24Å; I64-T67 WeakPolarHBondContact O-CB 3.48Å; I64-T67 PolarHBondContact O-N 3.28Å; G65-T67 VanDerWaalsContact C-N 3.34Å; T67-D69 VanDerWaalsContact C-N 3.35Å; T67-D69 PolarHBondContact O-N 2.84Å; T67-L70 PolarHBondContact O-N 3.28Å; T67-L71 HydrophobicContact CG2-CD1 3.75Å; T67-L71 HydrophobicContact CG2-CG 4.26Å; T67-L71 VanDerWaalsContact O-CB 3.32Å; T67-L71 WeakPolarHBondContact O-CB 3.13Å; T67-L71 VanDerWaalsContact O-CG 3.25Å; T67-L71 WeakPolarHBondContact O-CG 3.42Å; T67-L71 PolarHBondContact O-N 2.99Å
68L96Very high91.6Very high49 Ų4954.6 Ų54.626%0.25730%0.301SS..Hα-helixtrans-61.5-41.9176-69173.3000112.1I64 G65 Q66 T72 I91 Y94I64-L68 HydrophobicContact CG2-CD1 4.44Å; I64-L68 WeakPolarHBondContact O-CG 3.3Å; I64-L68 PolarHBondContact O-N 3.04Å; G65-L68 PolarHBondContact O-N 3.2Å; Q66-L68 VanDerWaalsContact C-N 3.34Å; Q66-L68 PolarHBondContact O-N 3.41Å; L68-T72 VanDerWaalsContact O-CB 3.29Å; L68-T72 WeakPolarHBondContact O-CB 3.39Å; L68-T72 PolarHBondContact O-N 2.88Å; L68-T72 VanDerWaalsContact O-N 3.07Å; L68-T72 PolarHBondContact O-OG1 2.89Å; L68-I91 HydrophobicContact CB-CG1 3.83Å; L68-Y94 HydrophobicContact CD1-CD2 4.36Å
69D93.7Very high90.8Very high9 Ų956.1 Ų56.15%0.04831%0.309CS..Hα-helixtrans-58.9-54177.1-174.780.5000111.4G65 Q66 T67 T72 A73 I91 K95 K161G65-D69 PolarHBondContact O-N 2.85Å; Q66-D69 WeakPolarHBondContact O-CB 3.3Å; Q66-D69 PolarHBondContact O-N 3.41Å; T67-D69 VanDerWaalsContact C-N 3.35Å; T67-D69 PolarHBondContact O-N 2.84Å; D69-T72 PolarHBondContact O-N 3.35Å; D69-A73 PolarHBondContact O-N 2.87Å; D69-A73 VanDerWaalsContact O-N 3.15Å; D69-I91 HydrophobicContact CB-CG2 3.89Å; D69-K95 HydrophobicContact CB-CD 3.91Å; D69-K95 IonicContact OD1-NZ 2.84Å; D69-K95 PolarHBondContact OD1-NZ 3.31Å; D69-K95 IonicContact OD2-NZ 2.76Å; D69-K95 PolarHBondContact OD2-NZ 3.04Å; D69-K161 IonicContact OD2-NZ 2.76Å; D69-K161 PolarHBondContact OD2-NZ 2.83Å
70L92Very high90.4Very high66 Ų6655.2 Ų55.235%0.34630%0.302SS..Hα-helixtrans-66.2-41.4-177.7-64.8170.4000112.7M1 Q66 T67 T72 A73M1-L70 HydrophobicContact CB-CD2 4.39Å; M1-L70 HydrophobicContact SD-CD1 3.72Å; Q66-L70 VanDerWaalsContact O-CG 3.29Å; Q66-L70 WeakPolarHBondContact O-CG 3.33Å; Q66-L70 PolarHBondContact O-N 3.5Å; T67-L70 PolarHBondContact O-N 3.28Å; L70-T72 PolarHBondContact O-N 2.89Å; L70-A73 CarbonylContact O-C 3.58Å; L70-A73 PolarHBondContact O-N 3.3Å
71L92.6Very high90Very high119 Ų11953.3 Ų53.362%0.62331%0.305SS*.Hα-helixtrans-68.8-23.8177.1-71177.7000112.9T67T67-L71 HydrophobicContact CG2-CD1 3.75Å; T67-L71 HydrophobicContact CG2-CG 4.26Å; T67-L71 VanDerWaalsContact O-CB 3.32Å; T67-L71 WeakPolarHBondContact O-CB 3.13Å; T67-L71 VanDerWaalsContact O-CG 3.25Å; T67-L71 WeakPolarHBondContact O-CG 3.42Å; T67-L71 PolarHBondContact O-N 2.99Å
72T91.1Very high89.7Confident0 Ų057.6 Ų57.60%032%0.321CS..Hα-helixtrans-80.9-24.7175.6-53.50000111.4L68 D69 L70 P74 R82 F83 R87 I91 C162L68-T72 VanDerWaalsContact O-CB 3.29Å; L68-T72 WeakPolarHBondContact O-CB 3.39Å; L68-T72 PolarHBondContact O-N 2.88Å; L68-T72 VanDerWaalsContact O-N 3.07Å; L68-T72 PolarHBondContact O-OG1 2.89Å; D69-T72 PolarHBondContact O-N 3.35Å; L70-T72 PolarHBondContact O-N 2.89Å; T72-P74 WeakPolarHBondContact O-CD 3.41Å; T72-R82 HydrophobicContact CG2-CB 4.24Å; T72-F83 HydrophobicContact CG2-CD1 3.9Å; T72-F83 HydrophobicContact CG2-CE1 3.92Å; T72-F83 WeakPolarHBondContact O-CE1 3.41Å; T72-R87 HydrophobicContact CG2-CG 3.84Å; T72-R87 WeakPolarHBondContact OG1-CD 3.31Å; T72-R87 PolarHBondContact OG1-NH1 3.48Å; T72-I91 HydrophobicContact CG2-CD1 4.24Å; T72-C162 HydrophobicContact CG2-CB 3.57Å
73A86.3Confident89.6Confident9 Ų956.7 Ų56.77%0.07432%0.315CS..SBendtrans-11658.3-175.900000113.1D69 L70 Q75 N160 K161D69-A73 PolarHBondContact O-N 2.87Å; D69-A73 VanDerWaalsContact O-N 3.15Å; L70-A73 CarbonylContact O-C 3.58Å; L70-A73 PolarHBondContact O-N 3.3Å; A73-Q75 PolarHBondContact O-N 3.04Å; A73-N160 WeakPolarHBondContact CA-O 3.42Å; A73-N160 WeakPolarHBondContact CB-O 3.38Å; A73-K161 HydrophobicContact CB-CD 4.23Å
74P83.4Confident89.6Confident40 Ų4055 Ų5526%0.2631%0.311SS..  trans-65.1130.117826.5-30.1000110.2T72 G76 N77 N160T72-P74 WeakPolarHBondContact O-CD 3.41Å; P74-G76 PolarHBondContact O-N 2.88Å; P74-N77 HydrophobicContact CB-CB 4.48Å; P74-N77 HydrophobicContact CG-CB 4.26Å; P74-N77 WeakPolarHBondContact CG-O 3.43Å; P74-N77 PolarHBondContact O-N 2.86Å; P74-N160 PolarHBondContact O-ND2 3.08Å
75Q74.9Confident89.5Confident131 Ų13156 Ų5661%0.61231%0.314SS*.THydrogen-bonded Turntrans-65.5134.1178.4-69-171.3-1100110.7A73 N77A73-Q75 PolarHBondContact O-N 3.04Å; Q75-N77 PolarHBondContact O-N 3.31Å
76G74Confident89.5Confident83 Ų8364 Ų6486%0.85635%0.35SS*.THydrogen-bonded Turntrans74.91178.800000115.4P74P74-G76 PolarHBondContact O-N 2.88Å
77N80.1Confident89.5Confident101 Ų10165.5 Ų65.554%0.5435%0.353SS..  trans-13096.7173.5-171.95.1000110.3P74 Q75 D79 N160P74-N77 HydrophobicContact CB-CB 4.48Å; P74-N77 HydrophobicContact CG-CB 4.26Å; P74-N77 WeakPolarHBondContact CG-O 3.43Å; P74-N77 PolarHBondContact O-N 2.86Å; Q75-N77 PolarHBondContact O-N 3.31Å; N77-D79 PolarHBondContact O-N 3.21Å; N77-N160 PolarHBondContact O-ND2 3.25Å; N77-N160 VanDerWaalsContact O-ND2 3.15Å
78V79.2Confident89.5Confident40 Ų4062.2 Ų62.224%0.24233%0.333CS..  trans-78.1107.1-179.9-177.70000109.2L80 Y185V78-L80 HydrophobicContact CG1-CD2 3.54Å; V78-L80 HydrophobicContact CG1-CG 3.8Å; V78-Y185 VanDerWaalsContact CG2-O 3.3Å; V78-Y185 WeakPolarHBondContact CG2-O 3.19Å
79D81.8Confident89.6Confident35 Ų3563.7 Ų63.719%0.18734%0.337CS..  trans-113.871.3-179.7-169.312.2000111.8N77 V81 R82N77-D79 PolarHBondContact O-N 3.21Å; D79-V81 PolarHBondContact O-N 3.33Å; D79-V81 WeakPolarHBondContact OD1-CG1 3.26Å; D79-R82 PolarHBondContact O-N 3.31Å; D79-R82 VanDerWaalsContact O-N 3.15Å; D79-R82 WeakPolarHBondContact OD2-CD 3.14Å; D79-R82 IonicContact OD2-CZ 2.89Å; D79-R82 IonicContact OD2-NE 3.25Å; D79-R82 PolarHBondContact OD2-NE 3Å; D79-R82 IonicContact OD2-NH1 2.69Å; D79-R82 PolarHBondContact OD2-NH1 3.07Å; D79-R82 IonicContact OD2-NH2 3.49Å; D79-R82 PolarHBondContact OD2-NH2 2.83Å
80L90.6Very high89.8Confident8 Ų865.4 Ų65.44%0.04235%0.349CS..G310 helixtrans-58.7-21.4-177.2-57.6-175.8000113.2V78 R82 F83 L170 Y178 L181 K182V78-L80 HydrophobicContact CG1-CD2 3.54Å; V78-L80 HydrophobicContact CG1-CG 3.8Å; L80-R82 PolarHBondContact O-N 3.35Å; L80-F83 HydrophobicContact CD2-CD2 3.54Å; L80-F83 HydrophobicContact CD2-CE2 3.46Å; L80-F83 VanDerWaalsContact CD2-CE2 3.46Å; L80-F83 WeakPolarHBondContact O-CB 3.28Å; L80-F83 PolarHBondContact O-N 3.46Å; L80-L170 HydrophobicContact CB-CD1 4.29Å; L80-L170 HydrophobicContact CB-CD2 4.35Å; L80-L170 HydrophobicContact CD1-CD2 4.24Å; L80-Y178 HydrophobicContact CB-CE2 4.32Å; L80-Y178 HydrophobicContact CD1-CE2 3.99Å; L80-L181 HydrophobicContact CD1-CD2 4.19Å; L80-L181 HydrophobicContact CD1-CG 4.23Å; L80-K182 HydrophobicContact CD1-CB 3.88Å; L80-K182 HydrophobicContact CD1-CG 4.39Å
81V90.8Very high90Very high107 Ų10762.5 Ų62.565%0.64833%0.334SS*.G310 helixtrans-62.5-25.9179.987.60000112.2D79D79-V81 PolarHBondContact O-N 3.33Å; D79-V81 WeakPolarHBondContact OD1-CG1 3.26Å
82R92.3Very high90.3Very high108 Ų10856.9 Ų56.941%0.40831%0.305SS..G310 helixtrans-84.4-15179.1-67.9-175177.5122.49.9112.7T72 D79 L80 T84 R87T72-R82 HydrophobicContact CG2-CB 4.24Å; D79-R82 PolarHBondContact O-N 3.31Å; D79-R82 VanDerWaalsContact O-N 3.15Å; D79-R82 WeakPolarHBondContact OD2-CD 3.14Å; D79-R82 IonicContact OD2-CZ 2.89Å; D79-R82 IonicContact OD2-NE 3.25Å; D79-R82 PolarHBondContact OD2-NE 3Å; D79-R82 IonicContact OD2-NH1 2.69Å; D79-R82 PolarHBondContact OD2-NH1 3.07Å; D79-R82 IonicContact OD2-NH2 3.49Å; D79-R82 PolarHBondContact OD2-NH2 2.83Å; L80-R82 PolarHBondContact O-N 3.35Å; R82-T84 PolarHBondContact O-N 2.98Å; R82-R87 WeakPolarHBondContact O-CB 3.45Å; R82-R87 WeakPolarHBondContact O-CG 3.41Å
83F95.6Very high90.6Very high7 Ų760.8 Ų60.83%0.03132%0.322CS..  trans-78.270.2-179.1-62.6-7.3000110.4T72 L80 N160 C162 V166 V167 L170 Y185T72-F83 HydrophobicContact CG2-CD1 3.9Å; T72-F83 HydrophobicContact CG2-CE1 3.92Å; T72-F83 WeakPolarHBondContact O-CE1 3.41Å; L80-F83 HydrophobicContact CD2-CD2 3.54Å; L80-F83 HydrophobicContact CD2-CE2 3.46Å; L80-F83 VanDerWaalsContact CD2-CE2 3.46Å; L80-F83 WeakPolarHBondContact O-CB 3.28Å; L80-F83 PolarHBondContact O-N 3.46Å; F83-N160 WeakPolarHBondContact CZ-O 3.37Å; F83-C162 HydrophobicContact CD1-CB 3.61Å; F83-C162 HydrophobicContact CE1-CB 3.8Å; F83-C162 HydrophobicContact CG-CB 4.35Å; F83-V166 HydrophobicContact CB-CG1 4.38Å; F83-V166 HydrophobicContact CD2-CB 4.34Å; F83-V166 HydrophobicContact CD2-CG1 3.65Å; F83-V166 HydrophobicContact CD2-CG2 3.68Å; F83-V166 HydrophobicContact CE2-CG1 4.13Å; F83-V166 HydrophobicContact CE2-CG2 4.12Å; F83-V166 HydrophobicContact CG-CG1 4.14Å; F83-V167 HydrophobicContact CB-CG2 4.4Å; F83-L170 HydrophobicContact CB-CD1 3.49Å; F83-L170 VanDerWaalsContact CB-CD1 3.49Å; F83-L170 HydrophobicContact CD2-CD1 4.15Å; F83-L170 HydrophobicContact CG-CD1 4.34Å; F83-Y185 AromaticContact CE2-CD1 3.99Å; F83-Y185 HydrophobicContact CE2-CD1 3.99Å; F83-Y185 AromaticContact CE2-CE1 3.8Å; F83-Y185 HydrophobicContact CE2-CE1 3.8Å; F83-Y185 HydrophobicContact CZ-CE1 4.37Å
84T96.9Very high91.1Very high65 Ų6564 Ų6440%0.39933%0.333SS..  trans-109.9153.5179.663.10000109.9R82 K86 R87 Y88R82-T84 PolarHBondContact O-N 2.98Å; T84-K86 PolarHBondContact O-N 2.97Å; T84-R87 PolarHBondContact O-N 3.42Å; T84-R87 VanDerWaalsContact O-N 3.08Å; T84-R87 WeakPolarHBondContact OG1-CB 3.26Å; T84-R87 PolarHBondContact OG1-N 3.43Å; T84-Y88 PolarHBondContact O-N 2.83Å
85E96.8Very high91.8Very high80 Ų8063.7 Ų63.737%0.37433%0.327SS..Hα-helixtrans-56.5-40.6175.8-170.3-176.916100112.1R87 Y88 K89 V167 Q171E85-R87 VanDerWaalsContact C-N 3.34Å; E85-R87 PolarHBondContact O-N 3.44Å; E85-Y88 WeakPolarHBondContact O-CB 3.32Å; E85-Y88 PolarHBondContact O-N 2.92Å; E85-K89 HydrophobicContact CG-CD 4.15Å; E85-K89 HydrophobicContact CG-CG 4.37Å; E85-K89 WeakPolarHBondContact O-CB 3.5Å; E85-K89 WeakPolarHBondContact O-CG 3.09Å; E85-K89 PolarHBondContact O-N 3.01Å; E85-K89 WeakPolarHBondContact OE1-CE 3.24Å; E85-K89 IonicContact OE1-NZ 2.94Å; E85-K89 PolarHBondContact OE1-NZ 3.37Å; E85-V167 HydrophobicContact CB-CG1 4.15Å; E85-Q171 PolarHBondContact OE2-NE2 2.81Å
86K97.4Very high92.9Very high170 Ų17057.6 Ų57.674%0.73930%0.299SS*.Hα-helixtrans-60.4-42.8176.8-176.9179.3179.1-179.20112.1T84 S90T84-K86 PolarHBondContact O-N 2.97Å; K86-S90 PolarHBondContact O-N 3.33Å; K86-S90 PolarHBondContact O-OG 3.38Å
87R96.6Very high94Very high75 Ų7553.6 Ų53.628%0.28326%0.258SS..Hα-helixtrans-65.6-48176.6175.55664.7853110.4T72 R82 T84 E85 S90 I91T72-R87 HydrophobicContact CG2-CG 3.84Å; T72-R87 WeakPolarHBondContact OG1-CD 3.31Å; T72-R87 PolarHBondContact OG1-NH1 3.48Å; R82-R87 WeakPolarHBondContact O-CB 3.45Å; R82-R87 WeakPolarHBondContact O-CG 3.41Å; T84-R87 PolarHBondContact O-N 3.42Å; T84-R87 VanDerWaalsContact O-N 3.08Å; T84-R87 WeakPolarHBondContact OG1-CB 3.26Å; T84-R87 PolarHBondContact OG1-N 3.43Å; E85-R87 VanDerWaalsContact C-N 3.34Å; E85-R87 PolarHBondContact O-N 3.44Å; R87-S90 WeakPolarHBondContact O-CB 3.35Å; R87-S90 PolarHBondContact O-N 3.35Å; R87-I91 HydrophobicContact CG-CD1 3.85Å; R87-I91 HydrophobicContact CG-CG1 4.48Å; R87-I91 WeakPolarHBondContact O-CG1 3.49Å; R87-I91 PolarHBondContact O-N 2.87Å
88Y97.8Very high94.9Very high5 Ų549.3 Ų49.32%0.0224%0.235CC..Hα-helixtrans-54.8-55.4178.4-178.1-100.9000112.3T84 E85 S90 I91 V92 I136 D139 C162 W164T84-Y88 PolarHBondContact O-N 2.83Å; E85-Y88 WeakPolarHBondContact O-CB 3.32Å; E85-Y88 PolarHBondContact O-N 2.92Å; Y88-S90 PolarHBondContact O-N 3.32Å; Y88-S90 VanDerWaalsContact O-N 3.16Å; Y88-I91 WeakPolarHBondContact O-CB 3.4Å; Y88-I91 PolarHBondContact O-N 3.43Å; Y88-V92 HydrophobicContact CD1-CG2 4.14Å; Y88-V92 HydrophobicContact CD2-CG2 4.17Å; Y88-V92 HydrophobicContact CE1-CG2 3.62Å; Y88-V92 HydrophobicContact CE2-CG2 3.67Å; Y88-V92 HydrophobicContact CG-CG2 4.39Å; Y88-V92 WeakPolarHBondContact O-CG2 3.35Å; Y88-V92 PolarHBondContact O-N 3.34Å; Y88-I136 HydrophobicContact CE1-CD1 3.98Å; Y88-I136 HydrophobicContact CE1-CG1 3.55Å; Y88-I136 VanDerWaalsContact OH-CG1 3.27Å; Y88-I136 WeakPolarHBondContact OH-CG1 3.43Å; Y88-D139 WeakPolarHBondContact CE2-OD2 3.44Å; Y88-D139 VanDerWaalsContact CZ-OD2 3.24Å; Y88-D139 PolarHBondContact OH-OD2 3.43Å; Y88-C162 WeakPolarHBondContact CD2-O 3.29Å; Y88-C162 WeakPolarHBondContact CE2-O 3.24Å; Y88-W164 HydrophobicContact CE1-CB 4.01Å; Y88-W164 AromaticContact CE1-CD1 3.95Å; Y88-W164 HydrophobicContact CE1-CG 4.41Å; Y88-W164 HydrophobicContact CE2-CB 4.07Å
89K97.5Very high95.8Very high80 Ų8052.9 Ų52.935%0.34825%0.245SC..Hα-helixtrans-56-36.7178.3-71.1-175.3157.1162.40112.4E85 K93 E132E85-K89 HydrophobicContact CG-CD 4.15Å; E85-K89 HydrophobicContact CG-CG 4.37Å; E85-K89 WeakPolarHBondContact O-CB 3.5Å; E85-K89 WeakPolarHBondContact O-CG 3.09Å; E85-K89 PolarHBondContact O-N 3.01Å; E85-K89 WeakPolarHBondContact OE1-CE 3.24Å; E85-K89 IonicContact OE1-NZ 2.94Å; E85-K89 PolarHBondContact OE1-NZ 3.37Å; K89-K93 WeakPolarHBondContact O-CB 3.24Å; K89-K93 PolarHBondContact O-N 3.47Å; K89-E132 WeakPolarHBondContact CE-OE1 3.47Å; K89-E132 WeakPolarHBondContact CG-OE2 3.19Å
90S97.7Very high96.6Very high44 Ų4452.7 Ų52.731%0.30825%0.246SC..Hα-helixtrans-66.9-46.4175.6-570000112.3K86 R87 Y88 Y94K86-S90 PolarHBondContact O-N 3.33Å; K86-S90 PolarHBondContact O-OG 3.38Å; R87-S90 WeakPolarHBondContact O-CB 3.35Å; R87-S90 PolarHBondContact O-N 3.35Å; Y88-S90 PolarHBondContact O-N 3.32Å; Y88-S90 VanDerWaalsContact O-N 3.16Å; S90-Y94 VanDerWaalsContact O-CD2 3.25Å; S90-Y94 WeakPolarHBondContact O-CD2 3.44Å; S90-Y94 PolarHBondContact O-N 2.95Å
91I97.5Very high97Very high5 Ų552.6 Ų52.63%0.02625%0.245CC..Hα-helixtrans-58.4-54.6177.2-67.9163.7000109.4L68 D69 T72 R87 Y88 K93 Y94 K95 C162L68-I91 HydrophobicContact CB-CG1 3.83Å; D69-I91 HydrophobicContact CB-CG2 3.89Å; T72-I91 HydrophobicContact CG2-CD1 4.24Å; R87-I91 HydrophobicContact CG-CD1 3.85Å; R87-I91 HydrophobicContact CG-CG1 4.48Å; R87-I91 WeakPolarHBondContact O-CG1 3.49Å; R87-I91 PolarHBondContact O-N 2.87Å; Y88-I91 WeakPolarHBondContact O-CB 3.4Å; Y88-I91 PolarHBondContact O-N 3.43Å; I91-K93 PolarHBondContact O-N 3.21Å; I91-Y94 PolarHBondContact O-N 3.34Å; I91-K95 HydrophobicContact CG2-CB 4.37Å; I91-K95 HydrophobicContact CG2-CD 4.19Å; I91-K95 WeakPolarHBondContact O-CB 3.34Å; I91-K95 PolarHBondContact O-N 3.47Å; I91-C162 HydrophobicContact CD1-CB 4.18Å
92V97Very high97.4Very high2 Ų247.8 Ų47.81%0.01222%0.216CC..Hα-helixtrans-63.2-44-174172.70000112.6Y88 Y94 T96 A97 E132 Q135Y88-V92 HydrophobicContact CD1-CG2 4.14Å; Y88-V92 HydrophobicContact CD2-CG2 4.17Å; Y88-V92 HydrophobicContact CE1-CG2 3.62Å; Y88-V92 HydrophobicContact CE2-CG2 3.67Å; Y88-V92 HydrophobicContact CG-CG2 4.39Å; Y88-V92 WeakPolarHBondContact O-CG2 3.35Å; Y88-V92 PolarHBondContact O-N 3.34Å; V92-Y94 VanDerWaalsContact C-N 3.27Å; V92-Y94 PolarHBondContact O-N 2.93Å; V92-T96 PolarHBondContact O-N 2.97Å; V92-A97 PolarHBondContact O-N 2.81Å; V92-A97 VanDerWaalsContact O-N 3.14Å; V92-E132 HydrophobicContact CG1-CB 4.32Å; V92-E132 HydrophobicContact CG1-CG 4.36Å; V92-Q135 HydrophobicContact CB-CB 4.29Å; V92-Q135 HydrophobicContact CB-CG 4.29Å; V92-Q135 HydrophobicContact CG1-CB 3.36Å; V92-Q135 HydrophobicContact CG1-CG 3.86Å; V92-Q135 HydrophobicContact CG2-CB 4.04Å; V92-Q135 HydrophobicContact CG2-CG 3.65Å
93K97.8Very high97.7Very high82 Ų8243.7 Ų43.736%0.35720%0.202SC..Iπ-helixtrans-52.8-47.9177173.7178.4174.6174.10111.4K89 I91 A97 F98K89-K93 WeakPolarHBondContact O-CB 3.24Å; K89-K93 PolarHBondContact O-N 3.47Å; I91-K93 PolarHBondContact O-N 3.21Å; K93-A97 WeakPolarHBondContact O-CB 3.37Å; K93-A97 PolarHBondContact O-N 2.87Å; K93-F98 HydrophobicContact CG-CE2 3.97Å; K93-F98 WeakPolarHBondContact O-CD2 3.45Å; K93-F98 PolarHBondContact O-N 3.47Å
94Y98.3Very high97.8Very high76 Ų7646.5 Ų46.530%0.29822%0.221SC..Iπ-helixtrans-82.9-47-175.3-75.7-65.9000112.7Q61 T62 L68 S90 I91 V92 T96 F98Q61-Y94 CarbonylContact C-O 3.4Å; Q61-Y94 HydrophobicContact CB-CD1 4.15Å; Q61-Y94 HydrophobicContact CG-CD1 4.23Å; Q61-Y94 HydrophobicContact CG-CE1 4.42Å; Q61-Y94 CarbonylContact O-C 3.56Å; Q61-Y94 WeakPolarHBondContact O-CB 3.4Å; T62-Y94 WeakPolarHBondContact CA-O 3.47Å; L68-Y94 HydrophobicContact CD1-CD2 4.36Å; S90-Y94 VanDerWaalsContact O-CD2 3.25Å; S90-Y94 WeakPolarHBondContact O-CD2 3.44Å; S90-Y94 PolarHBondContact O-N 2.95Å; I91-Y94 PolarHBondContact O-N 3.34Å; V92-Y94 VanDerWaalsContact C-N 3.27Å; V92-Y94 PolarHBondContact O-N 2.93Å; Y94-T96 VanDerWaalsContact C-N 3.33Å; Y94-T96 PolarHBondContact O-N 3.27Å; Y94-F98 AromaticContact CD1-CD2 3.98Å; Y94-F98 HydrophobicContact CD1-CD2 3.98Å; Y94-F98 AromaticContact CD1-CE2 3.64Å; Y94-F98 HydrophobicContact CD1-CE2 3.64Å; Y94-F98 HydrophobicContact CE1-CD2 4.45Å; Y94-F98 AromaticContact CE1-CE2 3.68Å; Y94-F98 HydrophobicContact CE1-CE2 3.68Å; Y94-F98 HydrophobicContact CE1-CZ 4.45Å
95K97.1Very high97.9Very high33 Ų3344.7 Ų44.714%0.14321%0.208CC..Iπ-helixtrans-69.3-30-175.1-179174.4165.6179.50112.7Q66 D69 I91 Y99Q66-K95 HydrophobicContact CG-CG 4.31Å; D69-K95 HydrophobicContact CB-CD 3.91Å; D69-K95 IonicContact OD1-NZ 2.84Å; D69-K95 PolarHBondContact OD1-NZ 3.31Å; D69-K95 IonicContact OD2-NZ 2.76Å; D69-K95 PolarHBondContact OD2-NZ 3.04Å; I91-K95 HydrophobicContact CG2-CB 4.37Å; I91-K95 HydrophobicContact CG2-CD 4.19Å; I91-K95 WeakPolarHBondContact O-CB 3.34Å; I91-K95 PolarHBondContact O-N 3.47Å; K95-Y99 WeakPolarHBondContact O-CD1 3.45Å; K95-Y99 WeakPolarHBondContact O-CE1 3.05Å
96T97.6Very high98Very high3 Ų340.9 Ų40.92%0.01819%0.19CC..Iπ-helixtrans-126.9-52-168.9-56.80000112.9V92 Y94 F98 Y99 S100 F134 Q135V92-T96 PolarHBondContact O-N 2.97Å; Y94-T96 VanDerWaalsContact C-N 3.33Å; Y94-T96 PolarHBondContact O-N 3.27Å; T96-F98 PolarHBondContact O-N 3.4Å; T96-Y99 WeakPolarHBondContact O-CD1 3.46Å; T96-S100 WeakPolarHBondContact O-CB 3.44Å; T96-S100 PolarHBondContact O-N 3.49Å; T96-S100 PolarHBondContact O-OG 3.07Å; T96-S100 VanDerWaalsContact O-OG 3.07Å; T96-F134 HydrophobicContact CG2-CD1 3.96Å; T96-F134 HydrophobicContact CG2-CE1 4.46Å; T96-Q135 HydrophobicContact CG2-CB 4.16Å; T96-Q135 PolarHBondContact OG1-OE1 3.1Å
97A98.3Very high98.1Very high0 Ų033.4 Ų33.40%016%0.16CC..Iπ-helixtrans-65.9-39.9-164.700000113.9V92 K93 F101 Y102 L128V92-A97 PolarHBondContact O-N 2.81Å; V92-A97 VanDerWaalsContact O-N 3.14Å; K93-A97 WeakPolarHBondContact O-CB 3.37Å; K93-A97 PolarHBondContact O-N 2.87Å; A97-F101 WeakPolarHBondContact O-CB 3.38Å; A97-F101 PolarHBondContact O-N 3.42Å; A97-F101 VanDerWaalsContact O-N 3.11Å; A97-Y102 PolarHBondContact O-N 3.41Å; A97-L128 HydrophobicContact CB-CD2 3.71Å
98F98.7Very high98.2Very high11 Ų1132.5 Ų32.55%0.04817%0.169CC..Iπ-helixtrans-63.7-56.5-179.5-78.9-72.9000113.1Q61 K93 Y94 T96 Y102 L103 K124 L128Q61-F98 HydrophobicContact CB-CB 4.32Å; Q61-F98 HydrophobicContact CB-CD2 4.01Å; Q61-F98 HydrophobicContact CB-CG 4.27Å; Q61-F98 HydrophobicContact CG-CD2 4.19Å; Q61-F98 HydrophobicContact CG-CE2 4.37Å; Q61-F98 HydrophobicContact CG-CG 4.44Å; Q61-F98 VanDerWaalsContact OE1-CB 3.26Å; K93-F98 HydrophobicContact CG-CE2 3.97Å; K93-F98 WeakPolarHBondContact O-CD2 3.45Å; K93-F98 PolarHBondContact O-N 3.47Å; Y94-F98 AromaticContact CD1-CD2 3.98Å; Y94-F98 HydrophobicContact CD1-CD2 3.98Å; Y94-F98 AromaticContact CD1-CE2 3.64Å; Y94-F98 HydrophobicContact CD1-CE2 3.64Å; Y94-F98 HydrophobicContact CE1-CD2 4.45Å; Y94-F98 AromaticContact CE1-CE2 3.68Å; Y94-F98 HydrophobicContact CE1-CE2 3.68Å; Y94-F98 HydrophobicContact CE1-CZ 4.45Å; T96-F98 PolarHBondContact O-N 3.4Å; F98-Y102 HydrophobicContact CD1-CD1 4.07Å; F98-Y102 HydrophobicContact CD1-CG 4.44Å; F98-Y102 CarbonylContact O-C 3.51Å; F98-Y102 WeakPolarHBondContact O-CA 3.44Å; F98-Y102 WeakPolarHBondContact O-CB 3.47Å; F98-Y102 PolarHBondContact O-N 2.89Å; F98-Y102 VanDerWaalsContact O-N 3.13Å; F98-L103 WeakPolarHBondContact O-CB 3.44Å; F98-L103 PolarHBondContact O-N 3.11Å; F98-K124 HydrophobicContact CE1-CD 4.15Å; F98-L128 HydrophobicContact CD1-CD2 3.89Å; F98-L128 HydrophobicContact CD2-CD2 4.26Å; F98-L128 HydrophobicContact CE1-CD1 4.26Å; F98-L128 HydrophobicContact CE1-CD2 3.93Å; F98-L128 HydrophobicContact CE2-CD2 4.3Å; F98-L128 HydrophobicContact CG-CD2 4.07Å; F98-L128 HydrophobicContact CZ-CD1 4.11Å; F98-L128 HydrophobicContact CZ-CD2 4.14Å
99Y98.4Very high98.2Very high115 Ų11532.6 Ų32.645%0.45117%0.169SC..Iπ-helixtrans-75.8-29.9-174.990.3-89.3000112.9T62 K95 T96 P104T62-Y99 HydrophobicContact CG2-CD1 4.09Å; T62-Y99 HydrophobicContact CG2-CE1 4.45Å; K95-Y99 WeakPolarHBondContact O-CD1 3.45Å; K95-Y99 WeakPolarHBondContact O-CE1 3.05Å; T96-Y99 WeakPolarHBondContact O-CD1 3.46Å; Y99-P104 WeakPolarHBondContact O-CD 3.27Å
100S98.1Very high98.3Very high31 Ų3130.8 Ų30.822%0.21716%0.161CC..Iπ-helixtrans-83-31.3-175.7-60.20000113T96T96-S100 WeakPolarHBondContact O-CB 3.44Å; T96-S100 PolarHBondContact O-N 3.49Å; T96-S100 PolarHBondContact O-OG 3.07Å; T96-S100 VanDerWaalsContact O-OG 3.07Å
101F98.5Very high98.3Very high5 Ų533.3 Ų33.32%0.02217%0.169CC..Iπ-helixtrans-121.4-52.4-173.5-68.1-94.9000112.8A97 P104 I105 L127 M130 F134 L239 I243A97-F101 WeakPolarHBondContact O-CB 3.38Å; A97-F101 PolarHBondContact O-N 3.42Å; A97-F101 VanDerWaalsContact O-N 3.11Å; F101-P104 WeakPolarHBondContact O-CD 3.47Å; F101-P104 WeakPolarHBondContact O-CG 3.38Å; F101-I105 WeakPolarHBondContact O-CG1 3.28Å; F101-L127 HydrophobicContact CB-CB 4.01Å; F101-L127 HydrophobicContact CB-CD2 4.25Å; F101-L127 VanDerWaalsContact CB-O 3.25Å; F101-L127 WeakPolarHBondContact CB-O 3.47Å; F101-M130 HydrophobicContact CD1-CB 3.56Å; F101-M130 HydrophobicContact CD1-SD 4.36Å; F101-M130 HydrophobicContact CE1-CB 3.82Å; F101-M130 HydrophobicContact CG-CB 4.23Å; F101-F134 HydrophobicContact CE2-CB 3.49Å; F101-F134 VanDerWaalsContact CE2-CB 3.49Å; F101-F134 AromaticContact CE2-CD1 3.88Å; F101-F134 HydrophobicContact CE2-CD1 3.88Å; F101-F134 HydrophobicContact CE2-CD2 4.14Å; F101-F134 AromaticContact CE2-CG 3.58Å; F101-F134 HydrophobicContact CE2-CG 3.58Å; F101-F134 HydrophobicContact CZ-CB 3.41Å; F101-F134 VanDerWaalsContact CZ-CB 3.41Å; F101-F134 HydrophobicContact CZ-CD1 4.25Å; F101-F134 AromaticContact CZ-CD2 3.65Å; F101-F134 HydrophobicContact CZ-CD2 3.65Å; F101-F134 HydrophobicContact CZ-CE2 4.43Å; F101-F134 AromaticContact CZ-CG 3.52Å; F101-F134 HydrophobicContact CZ-CG 3.52Å; F101-L239 HydrophobicContact CD1-CD1 4.47Å; F101-L239 HydrophobicContact CD1-CD2 3.55Å; F101-L239 HydrophobicContact CD1-CG 4.02Å; F101-L239 HydrophobicContact CE1-CD1 4.24Å; F101-L239 HydrophobicContact CE1-CD2 4.06Å; F101-L239 HydrophobicContact CE1-CG 4.01Å; F101-I243 HydrophobicContact CE1-CD1 3.83Å; F101-I243 HydrophobicContact CE1-CG2 4Å; F101-I243 HydrophobicContact CZ-CD1 4.23Å; F101-I243 HydrophobicContact CZ-CG2 3.98Å
102Y98.8Very high98.4Very high7 Ų736.5 Ų36.53%0.02720%0.196CC..Iπ-helixtrans-69-51.6-176.6178.6-108.5000112.7L54 A97 F98 I105 A106 H120 K124 L127L54-Y102 HydrophobicContact CD1-CD1 4.31Å; L54-Y102 HydrophobicContact CD1-CE1 3.76Å; A97-Y102 PolarHBondContact O-N 3.41Å; F98-Y102 HydrophobicContact CD1-CD1 4.07Å; F98-Y102 HydrophobicContact CD1-CG 4.44Å; F98-Y102 CarbonylContact O-C 3.51Å; F98-Y102 WeakPolarHBondContact O-CA 3.44Å; F98-Y102 WeakPolarHBondContact O-CB 3.47Å; F98-Y102 PolarHBondContact O-N 2.89Å; F98-Y102 VanDerWaalsContact O-N 3.13Å; Y102-I105 PolarHBondContact O-N 3.06Å; Y102-A106 HydrophobicContact CD1-CB 4.35Å; Y102-A106 HydrophobicContact CD2-CB 4.31Å; Y102-A106 HydrophobicContact CE1-CB 3.93Å; Y102-A106 HydrophobicContact CE2-CB 3.89Å; Y102-A106 VanDerWaalsContact O-CB 3.26Å; Y102-A106 WeakPolarHBondContact O-CB 3.28Å; Y102-A106 PolarHBondContact O-N 3.13Å; Y102-H120 AromaticContact CZ-ND1 4Å; Y102-H120 PolarHBondContact OH-ND1 3.44Å; Y102-H120 VanDerWaalsContact OH-ND1 3.13Å; Y102-K124 HydrophobicContact CD2-CB 3.81Å; Y102-K124 HydrophobicContact CD2-CG 3.98Å; Y102-K124 HydrophobicContact CE2-CB 3.79Å; Y102-K124 HydrophobicContact CE2-CD 4.47Å; Y102-K124 VanDerWaalsContact CE2-CE 3.49Å; Y102-K124 HydrophobicContact CE2-CG 4.18Å; Y102-K124 HydrophobicContact CG-CG 4.43Å; Y102-L127 HydrophobicContact CD2-CD1 4.21Å
103L98.8Very high98.4Very high22 Ų2239.3 Ų39.312%0.11523%0.225CC..Hα-helixtrans-50-54.8-179170.462.9000113.6L54 F55 F98 I105 A106 A107L54-L103 HydrophobicContact CD1-CD1 4.37Å; L54-L103 HydrophobicContact CD2-CD1 3.86Å; L54-L103 HydrophobicContact CG-CD1 3.65Å; F55-L103 HydrophobicContact CD1-CD1 4.16Å; F55-L103 HydrophobicContact CD1-CD2 4.24Å; F55-L103 HydrophobicContact CD2-CD1 4.07Å; F55-L103 HydrophobicContact CE1-CD1 4.19Å; F55-L103 HydrophobicContact CE1-CD2 4.14Å; F55-L103 HydrophobicContact CE2-CD1 4.12Å; F55-L103 HydrophobicContact CG-CD1 4.12Å; F55-L103 HydrophobicContact CZ-CD1 4.18Å; F98-L103 WeakPolarHBondContact O-CB 3.44Å; F98-L103 PolarHBondContact O-N 3.11Å; L103-I105 VanDerWaalsContact C-N 3.32Å; L103-I105 PolarHBondContact O-N 3.26Å; L103-A106 PolarHBondContact O-N 3.48Å; L103-A107 VanDerWaalsContact O-CB 3.24Å; L103-A107 WeakPolarHBondContact O-CB 3.09Å; L103-A107 PolarHBondContact O-N 3.05Å
104P98.6Very high98.5Very high66 Ų6637.8 Ų37.843%0.42922%0.22SC..Hα-helixtrans-64-35.8-176.523-33.9000113Y99 F101 A108Y99-P104 WeakPolarHBondContact O-CD 3.27Å; F101-P104 WeakPolarHBondContact O-CD 3.47Å; F101-P104 WeakPolarHBondContact O-CG 3.38Å; P104-A108 PolarHBondContact O-N 3.29Å
105I98.6Very high98.4Very high27 Ų2739.4 Ų39.414%0.13823%0.234CC..Hα-helixtrans-75.9-45.4178.9-58.2-57.1000110.9F101 Y102 L103 A107 A108 M109 L127 V235 F236F101-I105 WeakPolarHBondContact O-CG1 3.28Å; Y102-I105 PolarHBondContact O-N 3.06Å; L103-I105 VanDerWaalsContact C-N 3.32Å; L103-I105 PolarHBondContact O-N 3.26Å; I105-A107 VanDerWaalsContact C-N 3.3Å; I105-A107 PolarHBondContact O-N 3.2Å; I105-A108 PolarHBondContact O-N 3.19Å; I105-A108 VanDerWaalsContact O-N 3.17Å; I105-M109 HydrophobicContact CG2-CG 4.35Å; I105-M109 HydrophobicContact CG2-SD 3.96Å; I105-M109 VanDerWaalsContact O-CG 3.28Å; I105-M109 WeakPolarHBondContact O-CG 3.5Å; I105-M109 PolarHBondContact O-N 3.45Å; I105-L127 HydrophobicContact CB-CD1 3.6Å; I105-L127 HydrophobicContact CB-CD2 4.5Å; I105-L127 HydrophobicContact CG1-CD1 3.84Å; I105-L127 HydrophobicContact CG1-CD2 3.79Å; I105-L127 HydrophobicContact CG1-CG 4.5Å; I105-L127 HydrophobicContact CG2-CD1 3.83Å; I105-V235 HydrophobicContact CD1-CG1 3.82Å; I105-V235 HydrophobicContact CG2-CG1 4.33Å; I105-F236 HydrophobicContact CG2-CE1 4.48Å
106A98.8Very high98.5Very high0 Ų038.9 Ų38.90%024%0.238CC..Hα-helixtrans-62-38177.100000111.9L54 Y102 L103 M109 Y110L54-A106 HydrophobicContact CD1-CB 3.98Å; L54-A106 HydrophobicContact CD2-CB 3.71Å; Y102-A106 HydrophobicContact CD1-CB 4.35Å; Y102-A106 HydrophobicContact CD2-CB 4.31Å; Y102-A106 HydrophobicContact CE1-CB 3.93Å; Y102-A106 HydrophobicContact CE2-CB 3.89Å; Y102-A106 VanDerWaalsContact O-CB 3.26Å; Y102-A106 WeakPolarHBondContact O-CB 3.28Å; Y102-A106 PolarHBondContact O-N 3.13Å; L103-A106 PolarHBondContact O-N 3.48Å; A106-M109 PolarHBondContact O-N 2.91Å; A106-Y110 WeakPolarHBondContact O-CD2 3.16Å; A106-Y110 PolarHBondContact O-N 2.82Å
107A98.8Very high98.5Very high13 Ų1347 Ų4711%0.10728%0.276CS..Hα-helixtrans-61.5-45.5174.200000111.1L51 L54 L103 I105 M109 Y110 M111L51-A107 HydrophobicContact CD2-CB 3.87Å; L54-A107 HydrophobicContact CD2-CB 3.97Å; L103-A107 VanDerWaalsContact O-CB 3.24Å; L103-A107 WeakPolarHBondContact O-CB 3.09Å; L103-A107 PolarHBondContact O-N 3.05Å; I105-A107 VanDerWaalsContact C-N 3.3Å; I105-A107 PolarHBondContact O-N 3.2Å; A107-M109 PolarHBondContact O-N 3.26Å; A107-Y110 PolarHBondContact O-N 3.21Å; A107-M111 WeakPolarHBondContact O-CB 3.47Å; A107-M111 VanDerWaalsContact O-CG 3.23Å; A107-M111 WeakPolarHBondContact O-CG 3.46Å; A107-M111 PolarHBondContact O-N 3.46Å
108A98.7Very high98.4Very high55 Ų5554.4 Ų54.446%0.45531%0.308SS..Hα-helixtrans-64.4-38.3175.900000112.6P104 I105 M111 A112P104-A108 PolarHBondContact O-N 3.29Å; I105-A108 PolarHBondContact O-N 3.19Å; I105-A108 VanDerWaalsContact O-N 3.17Å; A108-M111 PolarHBondContact O-N 3.36Å; A108-A112 WeakPolarHBondContact O-CB 3.45Å; A108-A112 PolarHBondContact O-N 2.81Å
109M98.7Very high98.4Very high8 Ų856.6 Ų56.64%0.03932%0.318CS..Hα-helixtrans-60.5-50.7175.2-71.6169.664.400111.3I105 A106 A107 M111 A112 G113 I114 E119 A123 L231I105-M109 HydrophobicContact CG2-CG 4.35Å; I105-M109 HydrophobicContact CG2-SD 3.96Å; I105-M109 VanDerWaalsContact O-CG 3.28Å; I105-M109 WeakPolarHBondContact O-CG 3.5Å; I105-M109 PolarHBondContact O-N 3.45Å; A106-M109 PolarHBondContact O-N 2.91Å; A107-M109 PolarHBondContact O-N 3.26Å; M109-M111 VanDerWaalsContact C-N 3.32Å; M109-M111 PolarHBondContact O-N 3.47Å; M109-A112 CarbonylContact O-C 3.5Å; M109-A112 WeakPolarHBondContact O-CA 3.24Å; M109-A112 PolarHBondContact O-N 2.99Å; M109-G113 PolarHBondContact O-N 3.3Å; M109-I114 CarbonylContact C-O 3.28Å; M109-I114 VanDerWaalsContact C-O 3.28Å; M109-I114 HydrophobicContact CB-CB 4.16Å; M109-I114 HydrophobicContact CB-CG2 4.47Å; M109-I114 HydrophobicContact CE-CG2 3.93Å; M109-I114 WeakPolarHBondContact O-CB 3.44Å; M109-I114 PolarHBondContact O-N 3.37Å; M109-E119 HydrophobicContact CE-CB 3.95Å; M109-A123 HydrophobicContact CE-CB 4.39Å; M109-A123 HydrophobicContact SD-CB 3.98Å; M109-L231 HydrophobicContact CE-CD1 3.9Å; M109-L231 HydrophobicContact CG-CD1 4.42Å; M109-L231 HydrophobicContact SD-CD1 3.86Å
110Y98.8Very high98.4Very high41 Ų4151.5 Ų51.516%0.16130%0.299CS..Hα-helixtrans-59.8-42.3176.3-74.6-52.5000112.3Y47 N50 L54 A106 A107 A112 G113 I114 D115 H120Y47-Y110 WeakPolarHBondContact CB-O 3.34Å; N50-Y110 HydrophobicContact CB-CD1 3.69Å; N50-Y110 HydrophobicContact CB-CD2 4Å; N50-Y110 HydrophobicContact CB-CE1 3.88Å; N50-Y110 HydrophobicContact CB-CE2 4.18Å; N50-Y110 HydrophobicContact CB-CG 3.76Å; L54-Y110 HydrophobicContact CB-CE2 4.28Å; L54-Y110 HydrophobicContact CD2-CD2 3.95Å; L54-Y110 HydrophobicContact CD2-CE2 4.04Å; A106-Y110 WeakPolarHBondContact O-CD2 3.16Å; A106-Y110 PolarHBondContact O-N 2.82Å; A107-Y110 PolarHBondContact O-N 3.21Å; Y110-A112 PolarHBondContact O-N 2.66Å; Y110-G113 PolarHBondContact O-N 3.23Å; Y110-I114 PolarHBondContact N-O 2.7Å; Y110-D115 HydrophobicContact CD1-CB 3.88Å; Y110-D115 HydrophobicContact CE1-CB 3.85Å; Y110-H120 AromaticContact CD1-NE2 3.84Å; Y110-H120 AromaticContact CD2-CE1 3.85Å; Y110-H120 AromaticContact CE1-CE1 3.76Å; Y110-H120 AromaticContact CE1-NE2 3.55Å; Y110-H120 AromaticContact CE2-CE1 3.48Å; Y110-H120 VanDerWaalsContact CE2-CE1 3.48Å; Y110-H120 WeakPolarHBondContact CE2-CE1 3.3Å; Y110-H120 AromaticContact CZ-CE1 3.42Å; Y110-H120 VanDerWaalsContact CZ-CE1 3.42Å; Y110-H120 AromaticContact CZ-NE2 3.7Å
111M98.7Very high98.4Very high98 Ų9852 Ų5248%0.48331%0.305SS..Hα-helixtrans-65.1-26.5176.7-69.4177.973.300113Y47 L51 A107 A108 M109 G113Y47-M111 HydrophobicContact CD2-CG 4.02Å; Y47-M111 HydrophobicContact CE1-CB 4.35Å; Y47-M111 HydrophobicContact CE1-CG 4.43Å; Y47-M111 HydrophobicContact CE2-CB 4.49Å; Y47-M111 HydrophobicContact CE2-CG 3.71Å; L51-M111 HydrophobicContact CD1-CG 4.06Å; L51-M111 HydrophobicContact CD1-SD 4.34Å; L51-M111 HydrophobicContact CD2-CG 4.42Å; A107-M111 WeakPolarHBondContact O-CB 3.47Å; A107-M111 VanDerWaalsContact O-CG 3.23Å; A107-M111 WeakPolarHBondContact O-CG 3.46Å; A107-M111 PolarHBondContact O-N 3.46Å; A108-M111 PolarHBondContact O-N 3.36Å; M109-M111 VanDerWaalsContact C-N 3.32Å; M109-M111 PolarHBondContact O-N 3.47Å; M111-G113 VanDerWaalsContact C-N 3.28Å
112A98.4Very high98.4Very high72 Ų7253 Ų5360%0.59531%0.311SS*.THydrogen-bonded Turntrans-85.44.4173.900000113.5A108 M109 Y110 I114A108-A112 WeakPolarHBondContact O-CB 3.45Å; A108-A112 PolarHBondContact O-N 2.81Å; M109-A112 CarbonylContact O-C 3.5Å; M109-A112 WeakPolarHBondContact O-CA 3.24Å; M109-A112 PolarHBondContact O-N 2.99Å; Y110-A112 PolarHBondContact O-N 2.66Å; A112-I114 VanDerWaalsContact C-N 3.35Å; A112-I114 HydrophobicContact CB-CD1 4.28Å; A112-I114 HydrophobicContact CB-CG1 4.41Å
113G98.3Very high98.4Very high60 Ų6052.8 Ų52.862%0.61931%0.31SS*.THydrogen-bonded Turntrans76.718.6-17800000114.3M109 Y110 M111M109-G113 PolarHBondContact O-N 3.3Å; Y110-G113 PolarHBondContact O-N 3.23Å; M111-G113 VanDerWaalsContact C-N 3.28Å
114I98.5Very high98.4Very high51 Ų5154.5 Ų54.526%0.26232%0.316SS..  trans-100.399.7176.6-54.6169000107.1M109 Y110 A112 E119 H120 L231M109-I114 CarbonylContact C-O 3.28Å; M109-I114 VanDerWaalsContact C-O 3.28Å; M109-I114 HydrophobicContact CB-CB 4.16Å; M109-I114 HydrophobicContact CB-CG2 4.47Å; M109-I114 HydrophobicContact CE-CG2 3.93Å; M109-I114 WeakPolarHBondContact O-CB 3.44Å; M109-I114 PolarHBondContact O-N 3.37Å; Y110-I114 PolarHBondContact N-O 2.7Å; A112-I114 VanDerWaalsContact C-N 3.35Å; A112-I114 HydrophobicContact CB-CD1 4.28Å; A112-I114 HydrophobicContact CB-CG1 4.41Å; I114-E119 HydrophobicContact CG2-CB 3.99Å; I114-E119 HydrophobicContact CG2-CG 4.16Å; I114-H120 PolarHBondContact O-NE2 2.86Å; I114-L231 HydrophobicContact CD1-CD2 3.6Å
115D97.8Very high98.4Very high110 Ų11055.9 Ų55.959%0.58832%0.316SS*.  trans-118.23.7-178.263.3-5.6000113.6Y110 E117Y110-D115 HydrophobicContact CD1-CB 3.88Å; Y110-D115 HydrophobicContact CE1-CB 3.85Å; D115-E117 PolarHBondContact O-N 3.02Å
116G98Very high98.4Very high22 Ų2254.6 Ų54.623%0.22731%0.309CS..  trans-62.8130.8-179.300000113.2K118 E119 H120G116-K118 VanDerWaalsContact C-N 3.27Å; G116-K118 PolarHBondContact O-N 2.84Å; G116-E119 VanDerWaalsContact CA-OE2 3.31Å; G116-E119 WeakPolarHBondContact CA-OE2 3.1Å; G116-E119 PolarHBondContact O-N 3.15Å; G116-H120 PolarHBondContact O-CD2 3.38Å; G116-H120 PolarHBondContact O-N 3.49Å; G116-H120 VanDerWaalsContact O-N 3.11Å
117E97.4Very high98.4Very high174 Ų17454.6 Ų54.681%0.81331%0.309SS*.Hα-helixtrans-58.8-39.4-178.3-171.7-172175.700112D115 H120 A121D115-E117 PolarHBondContact O-N 3.02Å; E117-H120 PolarHBondContact O-N 3.1Å; E117-A121 VanDerWaalsContact O-CB 3.23Å; E117-A121 WeakPolarHBondContact O-CB 3.42Å; E117-A121 PolarHBondContact O-N 2.92Å
118K97.9Very high98.4Very high154 Ų15455.2 Ų55.267%0.6731%0.31SS*.Hα-helixtrans-65.1-44.8-178.8-177.1-177.1175.4-173.90111.4G116 A121 N122G116-K118 VanDerWaalsContact C-N 3.27Å; G116-K118 PolarHBondContact O-N 2.84Å; K118-A121 PolarHBondContact O-N 3.49Å; K118-N122 WeakPolarHBondContact O-CB 3.43Å; K118-N122 PolarHBondContact O-N 2.94Å
119E98Very high98.4Very high58 Ų5855.8 Ų55.827%0.27130%0.303SS..Hα-helixtrans-62.2-47.7178.4-68.881.2173.300110.3M109 I114 G116 N122 A123 P230M109-E119 HydrophobicContact CE-CB 3.95Å; I114-E119 HydrophobicContact CG2-CB 3.99Å; I114-E119 HydrophobicContact CG2-CG 4.16Å; G116-E119 VanDerWaalsContact CA-OE2 3.31Å; G116-E119 WeakPolarHBondContact CA-OE2 3.1Å; G116-E119 PolarHBondContact O-N 3.15Å; E119-N122 PolarHBondContact O-N 3.45Å; E119-A123 WeakPolarHBondContact O-CB 3.45Å; E119-A123 PolarHBondContact O-N 3.32Å; E119-P230 HydrophobicContact CG-CG 4.24Å
120H98.6Very high98.4Very high7 Ų755.4 Ų55.43%0.03230%0.302CS..Hα-helixtrans-64-40.4176.3-84-97.1000112.6Y102 Y110 I114 G116 E117 K124Y102-H120 AromaticContact CZ-ND1 4Å; Y102-H120 PolarHBondContact OH-ND1 3.44Å; Y102-H120 VanDerWaalsContact OH-ND1 3.13Å; Y110-H120 AromaticContact CD1-NE2 3.84Å; Y110-H120 AromaticContact CD2-CE1 3.85Å; Y110-H120 AromaticContact CE1-CE1 3.76Å; Y110-H120 AromaticContact CE1-NE2 3.55Å; Y110-H120 AromaticContact CE2-CE1 3.48Å; Y110-H120 VanDerWaalsContact CE2-CE1 3.48Å; Y110-H120 WeakPolarHBondContact CE2-CE1 3.3Å; Y110-H120 AromaticContact CZ-CE1 3.42Å; Y110-H120 VanDerWaalsContact CZ-CE1 3.42Å; Y110-H120 AromaticContact CZ-NE2 3.7Å; I114-H120 PolarHBondContact O-NE2 2.86Å; G116-H120 PolarHBondContact O-CD2 3.38Å; G116-H120 PolarHBondContact O-N 3.49Å; G116-H120 VanDerWaalsContact O-N 3.11Å; E117-H120 PolarHBondContact O-N 3.1Å; H120-K124 WeakPolarHBondContact O-CB 3.46Å; H120-K124 PolarHBondContact O-N 3.05Å
121A98.6Very high98.4Very high42 Ų4253.4 Ų53.435%0.34729%0.294SS..Hα-helixtrans-65.3-42.117700000111.9E117 K118 K124 K125E117-A121 VanDerWaalsContact O-CB 3.23Å; E117-A121 WeakPolarHBondContact O-CB 3.42Å; E117-A121 PolarHBondContact O-N 2.92Å; K118-A121 PolarHBondContact O-N 3.49Å; A121-K124 PolarHBondContact O-N 3.39Å; A121-K125 PolarHBondContact O-N 2.62Å; A121-K125 VanDerWaalsContact O-N 3.15Å
122N98.5Very high98.3Very high27 Ų2749.8 Ų49.814%0.14428%0.276CS..Hα-helixtrans-64.4-47.1175.8-79.5-4.9000111.8K118 E119 K124 K125 Y227K118-N122 WeakPolarHBondContact O-CB 3.43Å; K118-N122 PolarHBondContact O-N 2.94Å; E119-N122 PolarHBondContact O-N 3.45Å; N122-K124 VanDerWaalsContact C-N 3.29Å; N122-K124 PolarHBondContact O-N 3.22Å; N122-K125 WeakPolarHBondContact O-CB 3.4Å; N122-K125 PolarHBondContact O-N 2.84Å; N122-Y227 HydrophobicContact CB-CD1 4.44Å
123A98.6Very high98.3Very high1 Ų146.4 Ų46.41%0.00825%0.247CC..Hα-helixtrans-59-42.217500000111.4M109 E119 K125 I126 L127 L231 F236M109-A123 HydrophobicContact CE-CB 4.39Å; M109-A123 HydrophobicContact SD-CB 3.98Å; E119-A123 WeakPolarHBondContact O-CB 3.45Å; E119-A123 PolarHBondContact O-N 3.32Å; A123-K125 VanDerWaalsContact C-N 3.32Å; A123-K125 PolarHBondContact O-N 3.34Å; A123-I126 PolarHBondContact O-N 3.24Å; A123-L127 HydrophobicContact CB-CD1 4.15Å; A123-L127 WeakPolarHBondContact O-CB 3.38Å; A123-L127 WeakPolarHBondContact O-CD1 3.24Å; A123-L127 WeakPolarHBondContact O-CG 3.43Å; A123-L127 PolarHBondContact O-N 3.17Å; A123-L231 HydrophobicContact CB-CD1 4.33Å; A123-F236 HydrophobicContact CB-CE1 4.16Å; A123-F236 HydrophobicContact CB-CZ 3.95Å
124K98.6Very high98.3Very high59 Ų5945.9 Ų45.926%0.25723%0.228SC..Hα-helixtrans-60.1-37.5178.3-169.6178.1-65.7171.50112.8F98 Y102 H120 A121 N122 I126 L127 L128F98-K124 HydrophobicContact CE1-CD 4.15Å; Y102-K124 HydrophobicContact CD2-CB 3.81Å; Y102-K124 HydrophobicContact CD2-CG 3.98Å; Y102-K124 HydrophobicContact CE2-CB 3.79Å; Y102-K124 HydrophobicContact CE2-CD 4.47Å; Y102-K124 VanDerWaalsContact CE2-CE 3.49Å; Y102-K124 HydrophobicContact CE2-CG 4.18Å; Y102-K124 HydrophobicContact CG-CG 4.43Å; H120-K124 WeakPolarHBondContact O-CB 3.46Å; H120-K124 PolarHBondContact O-N 3.05Å; A121-K124 PolarHBondContact O-N 3.39Å; N122-K124 VanDerWaalsContact C-N 3.29Å; N122-K124 PolarHBondContact O-N 3.22Å; K124-I126 VanDerWaalsContact C-N 3.3Å; K124-I126 PolarHBondContact O-N 3.15Å; K124-L127 PolarHBondContact O-N 3.04Å; K124-L128 HydrophobicContact CD-CD1 4.28Å; K124-L128 HydrophobicContact CG-CD1 3.69Å; K124-L128 HydrophobicContact CG-CG 3.84Å; K124-L128 WeakPolarHBondContact O-CB 3.39Å; K124-L128 VanDerWaalsContact O-CG 3.28Å; K124-L128 WeakPolarHBondContact O-CG 3.15Å; K124-L128 PolarHBondContact O-N 3.03Å
125K98.6Very high98.2Very high95 Ų9544.5 Ų44.541%0.41322%0.221SC..Hα-helixtrans-58.7-41.6175.8-71.4176.9-179175.30112.2A121 N122 A123 E129 Y227A121-K125 PolarHBondContact O-N 2.62Å; A121-K125 VanDerWaalsContact O-N 3.15Å; N122-K125 WeakPolarHBondContact O-CB 3.4Å; N122-K125 PolarHBondContact O-N 2.84Å; A123-K125 VanDerWaalsContact C-N 3.32Å; A123-K125 PolarHBondContact O-N 3.34Å; K125-E129 WeakPolarHBondContact O-CG 3.15Å; K125-Y227 HydrophobicContact CB-CD2 4.35Å; K125-Y227 HydrophobicContact CD-CD1 3.91Å; K125-Y227 HydrophobicContact CD-CD2 4.19Å; K125-Y227 HydrophobicContact CD-CE1 3.56Å; K125-Y227 HydrophobicContact CD-CE2 3.85Å; K125-Y227 HydrophobicContact CD-CG 4.19Å; K125-Y227 VanDerWaalsContact CD-CZ 3.49Å; K125-Y227 PolarHBondContact NZ-OH 2.95Å
126I98.8Very high98.2Very high0 Ų039.3 Ų39.30%019%0.193CC..Hα-helixtrans-71.9-48.8177.7-59.9163.5000110.2A123 K124 L128 E129 M130 L223 I224 F236A123-I126 PolarHBondContact O-N 3.24Å; K124-I126 VanDerWaalsContact C-N 3.3Å; K124-I126 PolarHBondContact O-N 3.15Å; I126-L128 PolarHBondContact O-N 2.92Å; I126-E129 PolarHBondContact O-N 2.93Å; I126-M130 HydrophobicContact CG2-CE 3.66Å; I126-M130 HydrophobicContact CG2-CG 4.49Å; I126-M130 HydrophobicContact CG2-SD 4.19Å; I126-M130 WeakPolarHBondContact O-CG 3.5Å; I126-M130 PolarHBondContact O-N 3.01Å; I126-M130 VanDerWaalsContact O-N 3.09Å; I126-L223 HydrophobicContact CG1-CB 4.07Å; I126-I224 HydrophobicContact CD1-CG1 4.39Å; I126-I224 HydrophobicContact CG2-CG1 3.86Å; I126-F236 HydrophobicContact CB-CD1 4.27Å; I126-F236 HydrophobicContact CB-CE1 4.41Å; I126-F236 HydrophobicContact CD1-CD1 4.11Å; I126-F236 HydrophobicContact CD1-CD2 4.06Å; I126-F236 HydrophobicContact CD1-CE1 4.06Å; I126-F236 HydrophobicContact CD1-CE2 4.02Å; I126-F236 HydrophobicContact CD1-CG 4.11Å; I126-F236 HydrophobicContact CD1-CZ 4.01Å; I126-F236 HydrophobicContact CG2-CB 4.36Å; I126-F236 HydrophobicContact CG2-CD1 3.85Å; I126-F236 HydrophobicContact CG2-CE1 4.47Å; I126-F236 HydrophobicContact CG2-CG 4.24Å
127L98.7Very high98.2Very high0 Ų038.4 Ų38.40%018%0.183CC..Hα-helixtrans-72.2-30.3-168.2-66.7167.1000113.1F101 Y102 I105 A123 K124 M130 G131 F236 L239F101-L127 HydrophobicContact CB-CB 4.01Å; F101-L127 HydrophobicContact CB-CD2 4.25Å; F101-L127 VanDerWaalsContact CB-O 3.25Å; F101-L127 WeakPolarHBondContact CB-O 3.47Å; Y102-L127 HydrophobicContact CD2-CD1 4.21Å; I105-L127 HydrophobicContact CB-CD1 3.6Å; I105-L127 HydrophobicContact CB-CD2 4.5Å; I105-L127 HydrophobicContact CG1-CD1 3.84Å; I105-L127 HydrophobicContact CG1-CD2 3.79Å; I105-L127 HydrophobicContact CG1-CG 4.5Å; I105-L127 HydrophobicContact CG2-CD1 3.83Å; A123-L127 HydrophobicContact CB-CD1 4.15Å; A123-L127 WeakPolarHBondContact O-CB 3.38Å; A123-L127 WeakPolarHBondContact O-CD1 3.24Å; A123-L127 WeakPolarHBondContact O-CG 3.43Å; A123-L127 PolarHBondContact O-N 3.17Å; K124-L127 PolarHBondContact O-N 3.04Å; L127-M130 HydrophobicContact CD2-SD 4.16Å; L127-G131 PolarHBondContact O-N 3.4Å; L127-F236 HydrophobicContact CD1-CE1 4.15Å; L127-F236 HydrophobicContact CD2-CD1 4.03Å; L127-F236 HydrophobicContact CD2-CE1 4.13Å; L127-F236 HydrophobicContact CG-CD1 4.33Å; L127-F236 HydrophobicContact CG-CE1 4.02Å; L127-L239 HydrophobicContact CD2-CD2 3.77Å
128L98.6Very high98.1Very high25 Ų2532 Ų3213%0.13116%0.155CC..Hα-helixtrans-70.3-37.2175.5-67-175.2000112.3A97 F98 K124 I126 G131 E132A97-L128 HydrophobicContact CB-CD2 3.71Å; F98-L128 HydrophobicContact CD1-CD2 3.89Å; F98-L128 HydrophobicContact CD2-CD2 4.26Å; F98-L128 HydrophobicContact CE1-CD1 4.26Å; F98-L128 HydrophobicContact CE1-CD2 3.93Å; F98-L128 HydrophobicContact CE2-CD2 4.3Å; F98-L128 HydrophobicContact CG-CD2 4.07Å; F98-L128 HydrophobicContact CZ-CD1 4.11Å; F98-L128 HydrophobicContact CZ-CD2 4.14Å; K124-L128 HydrophobicContact CD-CD1 4.28Å; K124-L128 HydrophobicContact CG-CD1 3.69Å; K124-L128 HydrophobicContact CG-CG 3.84Å; K124-L128 WeakPolarHBondContact O-CB 3.39Å; K124-L128 VanDerWaalsContact O-CG 3.28Å; K124-L128 WeakPolarHBondContact O-CG 3.15Å; K124-L128 PolarHBondContact O-N 3.03Å; I126-L128 PolarHBondContact O-N 2.92Å; L128-G131 PolarHBondContact O-N 3.36Å; L128-E132 PolarHBondContact O-N 3.18Å
129E98.5Very high98.1Very high67 Ų6725.1 Ų25.131%0.31313%0.125SC..Hα-helixtrans-69.1-39.6175.5-62.7-61.2144.200111.5K125 I126 G131 E132 F133 L223K125-E129 WeakPolarHBondContact O-CG 3.15Å; I126-E129 PolarHBondContact O-N 2.93Å; E129-G131 VanDerWaalsContact C-N 3.26Å; E129-G131 PolarHBondContact O-N 2.95Å; E129-E132 PolarHBondContact O-N 3.43Å; E129-F133 PolarHBondContact O-N 3.25Å; E129-L223 HydrophobicContact CB-CD1 4Å; E129-L223 HydrophobicContact CG-CD1 3.67Å
130M98.5Very high98.1Very high0 Ų024.2 Ų24.20%012%0.119CC..Hα-helixtrans-58.9-39.6170.1-71.1-177.7173.600112.1F101 I126 L127 F134 I220 I224 F236 L239 A240 I243F101-M130 HydrophobicContact CD1-CB 3.56Å; F101-M130 HydrophobicContact CD1-SD 4.36Å; F101-M130 HydrophobicContact CE1-CB 3.82Å; F101-M130 HydrophobicContact CG-CB 4.23Å; I126-M130 HydrophobicContact CG2-CE 3.66Å; I126-M130 HydrophobicContact CG2-CG 4.49Å; I126-M130 HydrophobicContact CG2-SD 4.19Å; I126-M130 WeakPolarHBondContact O-CG 3.5Å; I126-M130 PolarHBondContact O-N 3.01Å; I126-M130 VanDerWaalsContact O-N 3.09Å; L127-M130 HydrophobicContact CD2-SD 4.16Å; M130-F134 VanDerWaalsContact O-CB 3.28Å; M130-F134 WeakPolarHBondContact O-CB 3.48Å; M130-F134 PolarHBondContact O-N 2.86Å; M130-I220 HydrophobicContact CE-CG2 3.41Å; M130-I220 VanDerWaalsContact CE-CG2 3.41Å; M130-I220 HydrophobicContact CG-CD1 4.09Å; M130-I220 HydrophobicContact CG-CG1 4.32Å; M130-I220 HydrophobicContact CG-CG2 3.9Å; M130-I224 HydrophobicContact CE-CD1 3.86Å; M130-I224 HydrophobicContact CE-CG1 4.42Å; M130-F236 HydrophobicContact CE-CB 4.1Å; M130-F236 WeakPolarHBondContact CE-O 3.49Å; M130-L239 HydrophobicContact SD-CB 4.35Å; M130-L239 HydrophobicContact SD-CD2 3.99Å; M130-L239 HydrophobicContact SD-CG 4.16Å; M130-A240 HydrophobicContact CE-CB 3.99Å; M130-I243 HydrophobicContact CB-CD1 3.95Å; M130-I243 HydrophobicContact CG-CD1 4.19Å
131G98.1Very high97.9Very high0 Ų025.1 Ų25.10%012%0.124CC..Hα-helixtrans-68.7-36.2177.200000113.8L127 L128 E129 F134 Q135L127-G131 PolarHBondContact O-N 3.4Å; L128-G131 PolarHBondContact O-N 3.36Å; E129-G131 VanDerWaalsContact C-N 3.26Å; E129-G131 PolarHBondContact O-N 2.95Å; G131-F134 PolarHBondContact O-N 2.97Å; G131-Q135 PolarHBondContact O-N 3.29Å; G131-Q135 VanDerWaalsContact O-N 3.15Å
132E98.2Very high97.8Very high21 Ų2124 Ų2410%0.09811%0.112CC..Hα-helixtrans-61.3-53.5171.9-175.5173.9123.800111.1K89 V92 L128 E129 F134 Q135 I136K89-E132 WeakPolarHBondContact CE-OE1 3.47Å; K89-E132 WeakPolarHBondContact CG-OE2 3.19Å; V92-E132 HydrophobicContact CG1-CB 4.32Å; V92-E132 HydrophobicContact CG1-CG 4.36Å; L128-E132 PolarHBondContact O-N 3.18Å; E129-E132 PolarHBondContact O-N 3.43Å; E132-F134 VanDerWaalsContact C-N 3.29Å; E132-F134 PolarHBondContact O-N 3.22Å; E132-Q135 PolarHBondContact O-N 2.72Å; E132-I136 HydrophobicContact CG-CD1 3.92Å; E132-I136 WeakPolarHBondContact O-CG1 3.44Å; E132-I136 PolarHBondContact O-N 3.37Å
133F97.9Very high97.7Very high1 Ų124.1 Ų24.10%0.00411%0.113CC..Hα-helixtrans-54.4-46176.1172.1-123.4000112.2E129 Q135 I136 Q137 Y212 E213 S216 I220 I243 Y244E129-F133 PolarHBondContact O-N 3.25Å; F133-Q135 VanDerWaalsContact C-N 3.35Å; F133-Q135 PolarHBondContact O-N 3.34Å; F133-I136 PolarHBondContact O-N 3.26Å; F133-Q137 HydrophobicContact CD2-CG 4.17Å; F133-Q137 HydrophobicContact CE1-CG 4.45Å; F133-Q137 HydrophobicContact CE2-CG 3.7Å; F133-Q137 HydrophobicContact CZ-CG 3.88Å; F133-Q137 WeakPolarHBondContact O-CG 3.43Å; F133-Q137 PolarHBondContact O-N 2.76Å; F133-Y212 HydrophobicContact CD2-CE1 4Å; F133-E213 HydrophobicContact CE2-CB 3.96Å; F133-E213 HydrophobicContact CE2-CG 3.8Å; F133-E213 HydrophobicContact CZ-CB 4.46Å; F133-E213 HydrophobicContact CZ-CG 3.79Å; F133-S216 WeakPolarHBondContact CB-OG 3.44Å; F133-I220 HydrophobicContact CB-CD1 4.16Å; F133-I220 HydrophobicContact CD1-CD1 4.14Å; F133-I220 HydrophobicContact CG-CD1 4.34Å; F133-I243 HydrophobicContact CD1-CD1 3.8Å; F133-I243 HydrophobicContact CD1-CG1 4.13Å; F133-I243 HydrophobicContact CE1-CD1 4.23Å; F133-I243 HydrophobicContact CE1-CG1 4.03Å; F133-Y244 HydrophobicContact CZ-CD2 4.26Å
134F97.4Very high97.6Very high50 Ų5026.1 Ų26.122%0.21912%0.121CC..Hα-helixtrans-60.9-40.6-179.2179.3-92.5000113.2T96 F101 M130 G131 E132 Q137 D138 I243 R246T96-F134 HydrophobicContact CG2-CD1 3.96Å; T96-F134 HydrophobicContact CG2-CE1 4.46Å; F101-F134 HydrophobicContact CE2-CB 3.49Å; F101-F134 VanDerWaalsContact CE2-CB 3.49Å; F101-F134 AromaticContact CE2-CD1 3.88Å; F101-F134 HydrophobicContact CE2-CD1 3.88Å; F101-F134 HydrophobicContact CE2-CD2 4.14Å; F101-F134 AromaticContact CE2-CG 3.58Å; F101-F134 HydrophobicContact CE2-CG 3.58Å; F101-F134 HydrophobicContact CZ-CB 3.41Å; F101-F134 VanDerWaalsContact CZ-CB 3.41Å; F101-F134 HydrophobicContact CZ-CD1 4.25Å; F101-F134 AromaticContact CZ-CD2 3.65Å; F101-F134 HydrophobicContact CZ-CD2 3.65Å; F101-F134 HydrophobicContact CZ-CE2 4.43Å; F101-F134 AromaticContact CZ-CG 3.52Å; F101-F134 HydrophobicContact CZ-CG 3.52Å; M130-F134 VanDerWaalsContact O-CB 3.28Å; M130-F134 WeakPolarHBondContact O-CB 3.48Å; M130-F134 PolarHBondContact O-N 2.86Å; G131-F134 PolarHBondContact O-N 2.97Å; E132-F134 VanDerWaalsContact C-N 3.29Å; E132-F134 PolarHBondContact O-N 3.22Å; F134-Q137 PolarHBondContact O-N 3.47Å; F134-D138 PolarHBondContact O-N 3.28Å; F134-I243 HydrophobicContact CD2-CB 4.28Å; F134-I243 HydrophobicContact CD2-CG2 3.77Å; F134-I243 HydrophobicContact CE2-CG2 4.28Å; F134-R246 VanDerWaalsContact CZ-NH1 3.33Å; F134-R246 PolarHBondContact O-NH2 2.84Å
135Q97.8Very high97.3Very high21 Ų2124 Ų2410%0.09812%0.117CC..Hα-helixtrans-72.6-36.7177.6-170.357.655.900111.7V92 T96 G131 E132 F133 Q137 D138 D139V92-Q135 HydrophobicContact CB-CB 4.29Å; V92-Q135 HydrophobicContact CB-CG 4.29Å; V92-Q135 HydrophobicContact CG1-CB 3.36Å; V92-Q135 HydrophobicContact CG1-CG 3.86Å; V92-Q135 HydrophobicContact CG2-CB 4.04Å; V92-Q135 HydrophobicContact CG2-CG 3.65Å; T96-Q135 HydrophobicContact CG2-CB 4.16Å; T96-Q135 PolarHBondContact OG1-OE1 3.1Å; G131-Q135 PolarHBondContact O-N 3.29Å; G131-Q135 VanDerWaalsContact O-N 3.15Å; E132-Q135 PolarHBondContact O-N 2.72Å; F133-Q135 VanDerWaalsContact C-N 3.35Å; F133-Q135 PolarHBondContact O-N 3.34Å; Q135-Q137 PolarHBondContact O-N 3.47Å; Q135-D138 PolarHBondContact NE2-OD2 3.11Å; Q135-D138 WeakPolarHBondContact O-CA 3.39Å; Q135-D138 WeakPolarHBondContact O-CB 3.42Å; Q135-D138 PolarHBondContact O-N 3.32Å; Q135-D139 PolarHBondContact NE2-OD1 3.36Å; Q135-D139 PolarHBondContact O-N 3.07Å; Q135-D139 VanDerWaalsContact O-OD1 3.14Å
136I98.1Very high96.9Very high2 Ų223.8 Ų23.81%0.0112%0.12CC..Hα-helixtrans-60-39.7174-70.4167.2000110.8Y88 E132 F133 D139 Y140 W164 F209 Y212Y88-I136 HydrophobicContact CE1-CD1 3.98Å; Y88-I136 HydrophobicContact CE1-CG1 3.55Å; Y88-I136 VanDerWaalsContact OH-CG1 3.27Å; Y88-I136 WeakPolarHBondContact OH-CG1 3.43Å; E132-I136 HydrophobicContact CG-CD1 3.92Å; E132-I136 WeakPolarHBondContact O-CG1 3.44Å; E132-I136 PolarHBondContact O-N 3.37Å; F133-I136 PolarHBondContact O-N 3.26Å; I136-D139 PolarHBondContact O-N 3.06Å; I136-Y140 WeakPolarHBondContact O-CB 3.25Å; I136-Y140 PolarHBondContact O-N 3.42Å; I136-W164 HydrophobicContact CB-CB 4.44Å; I136-W164 HydrophobicContact CB-CG 4.26Å; I136-W164 HydrophobicContact CD1-CG 4.37Å; I136-W164 HydrophobicContact CG1-CB 4.05Å; I136-W164 HydrophobicContact CG1-CG 3.86Å; I136-W164 HydrophobicContact CG2-CB 4.14Å; I136-W164 HydrophobicContact CG2-CD2 3.66Å; I136-W164 HydrophobicContact CG2-CE3 4.24Å; I136-W164 HydrophobicContact CG2-CG 3.61Å; I136-F209 HydrophobicContact CG2-CD2 4.16Å; I136-F209 HydrophobicContact CG2-CE2 4.16Å; I136-Y212 HydrophobicContact CB-CE1 4.02Å; I136-Y212 HydrophobicContact CD1-CD1 4.48Å; I136-Y212 HydrophobicContact CD1-CE1 3.49Å; I136-Y212 VanDerWaalsContact CD1-CE1 3.49Å; I136-Y212 HydrophobicContact CD1-CE2 4.19Å; I136-Y212 WeakPolarHBondContact CD1-OH 3.33Å; I136-Y212 HydrophobicContact CG1-CE1 4.34Å; I136-Y212 HydrophobicContact CG2-CD1 3.83Å; I136-Y212 HydrophobicContact CG2-CE1 3.66Å
137Q96.8Very high96.4Very high2 Ų227.1 Ų27.11%0.00914%0.141CC..Hα-helixtrans-63.7-40.7170.9-66.2-178.5-45.300112.6F133 F134 Q135 Y140 L141 F209 E213 I243 R246F133-Q137 HydrophobicContact CD2-CG 4.17Å; F133-Q137 HydrophobicContact CE1-CG 4.45Å; F133-Q137 HydrophobicContact CE2-CG 3.7Å; F133-Q137 HydrophobicContact CZ-CG 3.88Å; F133-Q137 WeakPolarHBondContact O-CG 3.43Å; F133-Q137 PolarHBondContact O-N 2.76Å; F134-Q137 PolarHBondContact O-N 3.47Å; Q135-Q137 PolarHBondContact O-N 3.47Å; Q137-Y140 PolarHBondContact O-N 2.76Å; Q137-L141 VanDerWaalsContact O-CB 3.28Å; Q137-L141 WeakPolarHBondContact O-CB 3.29Å; Q137-L141 WeakPolarHBondContact O-CG 3.37Å; Q137-L141 PolarHBondContact O-N 2.76Å; Q137-F209 HydrophobicContact CB-CE2 4.48Å; Q137-F209 HydrophobicContact CB-CZ 4.4Å; Q137-F209 HydrophobicContact CG-CE2 4.07Å; Q137-F209 HydrophobicContact CG-CZ 3.9Å; Q137-E213 PolarHBondContact NE2-OE1 3.5Å; Q137-I243 PolarHBondContact NE2-O 2.84Å; Q137-I243 PolarHBondContact OE1-O 3.33Å; Q137-I243 VanDerWaalsContact OE1-O 3.07Å; Q137-R246 VanDerWaalsContact OE1-CD 3.27Å
138D95.9Very high95.9Very high41 Ų4131.8 Ų31.822%0.21917%0.174CC..Hα-helixtrans-62.9-43.4177.3-177.558.2000111.3F134 Q135 L141 D142 K152F134-D138 PolarHBondContact O-N 3.28Å; Q135-D138 PolarHBondContact NE2-OD2 3.11Å; Q135-D138 WeakPolarHBondContact O-CA 3.39Å; Q135-D138 WeakPolarHBondContact O-CB 3.42Å; Q135-D138 PolarHBondContact O-N 3.32Å; D138-L141 CarbonylContact O-C 3.55Å; D138-L141 PolarHBondContact O-N 2.94Å; D138-D142 WeakPolarHBondContact O-CB 3.09Å; D138-D142 PolarHBondContact O-N 3.22Å; D138-K152 IonicContact OD1-NZ 2.89Å; D138-K152 PolarHBondContact OD1-NZ 3.06Å; D138-K152 IonicContact OD2-NZ 3.59Å
139D97.6Very high95.3Very high9 Ų933.6 Ų33.65%0.04819%0.186CC..Hα-helixtrans-64.1-41.6176.4-66.19.2000111.8Y88 Q135 I136 D142 S163 W164Y88-D139 WeakPolarHBondContact CE2-OD2 3.44Å; Y88-D139 VanDerWaalsContact CZ-OD2 3.24Å; Y88-D139 PolarHBondContact OH-OD2 3.43Å; Q135-D139 PolarHBondContact NE2-OD1 3.36Å; Q135-D139 PolarHBondContact O-N 3.07Å; Q135-D139 VanDerWaalsContact O-OD1 3.14Å; I136-D139 PolarHBondContact O-N 3.06Å; D139-D142 WeakPolarHBondContact O-CB 3.49Å; D139-D142 PolarHBondContact O-N 3.15Å; D139-S163 WeakPolarHBondContact OD2-CA 3.5Å; D139-W164 HydrophobicContact CB-CB 4.3Å; D139-W164 PolarHBondContact OD2-N 2.99Å
140Y97.6Very high94.8Very high39 Ų3931.7 Ų31.715%0.15318%0.179CC..Hα-helixtrans-63-47.4174.7174.4-97.7000111.4I136 Q137 D142 L143 F144 L165 P206 F209I136-Y140 WeakPolarHBondContact O-CB 3.25Å; I136-Y140 PolarHBondContact O-N 3.42Å; Q137-Y140 PolarHBondContact O-N 2.76Å; Y140-D142 PolarHBondContact O-N 2.84Å; Y140-L143 PolarHBondContact O-N 3.21Å; Y140-F144 AromaticContact CD2-CD2 3.68Å; Y140-F144 HydrophobicContact CD2-CD2 3.68Å; Y140-F144 HydrophobicContact CD2-CE2 4.41Å; Y140-F144 HydrophobicContact CD2-CG 4.48Å; Y140-F144 HydrophobicContact CE1-CB 4.07Å; Y140-F144 HydrophobicContact CE2-CB 3.98Å; Y140-F144 AromaticContact CE2-CD2 3.43Å; Y140-F144 HydrophobicContact CE2-CD2 3.43Å; Y140-F144 VanDerWaalsContact CE2-CD2 3.43Å; Y140-F144 HydrophobicContact CE2-CE2 4.16Å; Y140-F144 AromaticContact CE2-CG 3.93Å; Y140-F144 HydrophobicContact CE2-CG 3.93Å; Y140-F144 PolarHBondContact O-N 3.38Å; Y140-L165 HydrophobicContact CD2-CD2 4.36Å; Y140-P206 HydrophobicContact CE2-CB 4.39Å; Y140-F209 AromaticContact CD1-CD1 3.75Å; Y140-F209 HydrophobicContact CD1-CD1 3.75Å; Y140-F209 HydrophobicContact CD1-CD2 4.42Å; Y140-F209 AromaticContact CD1-CE1 3.52Å; Y140-F209 HydrophobicContact CD1-CE1 3.52Å; Y140-F209 HydrophobicContact CD1-CE2 4.22Å; Y140-F209 HydrophobicContact CD1-CG 4.19Å; Y140-F209 AromaticContact CD1-CZ 3.76Å; Y140-F209 HydrophobicContact CD1-CZ 3.76Å; Y140-F209 HydrophobicContact CD2-CB 3.79Å; Y140-F209 AromaticContact CD2-CD1 3.77Å; Y140-F209 HydrophobicContact CD2-CD1 3.77Å; Y140-F209 AromaticContact CD2-CD2 3.99Å; Y140-F209 HydrophobicContact CD2-CD2 3.99Å; Y140-F209 HydrophobicContact CD2-CE1 4.36Å; Y140-F209 AromaticContact CD2-CG 3.55Å; Y140-F209 HydrophobicContact CD2-CG 3.55Å; Y140-F209 AromaticContact CE1-CD1 3.79Å; Y140-F209 HydrophobicContact CE1-CD1 3.79Å; Y140-F209 AromaticContact CE1-CE1 3.74Å; Y140-F209 HydrophobicContact CE1-CE1 3.74Å; Y140-F209 HydrophobicContact CE1-CZ 4.42Å; Y140-F209 HydrophobicContact CE2-CB 3.99Å; Y140-F209 AromaticContact CE2-CD1 3.82Å; Y140-F209 HydrophobicContact CE2-CD1 3.82Å; Y140-F209 AromaticContact CE2-CG 3.95Å; Y140-F209 HydrophobicContact CE2-CG 3.95Å; Y140-F209 HydrophobicContact CG-CB 4.42Å; Y140-F209 AromaticContact CG-CD1 3.74Å; Y140-F209 HydrophobicContact CG-CD1 3.74Å; Y140-F209 AromaticContact CG-CD2 3.78Å; Y140-F209 HydrophobicContact CG-CD2 3.78Å; Y140-F209 AromaticContact CG-CE1 3.86Å; Y140-F209 HydrophobicContact CG-CE1 3.86Å; Y140-F209 AromaticContact CG-CE2 3.9Å; Y140-F209 HydrophobicContact CG-CE2 3.9Å; Y140-F209 AromaticContact CG-CG 3.69Å; Y140-F209 HydrophobicContact CG-CG 3.69Å; Y140-F209 AromaticContact CG-CZ 3.92Å; Y140-F209 HydrophobicContact CG-CZ 3.92Å; Y140-F209 AromaticContact CZ-CD1 3.82Å
141L95.8Very high94.2Very high25 Ų2532.5 Ų32.513%0.13119%0.187CC..Hα-helixtrans-70-20.9179.6-70173.4000112.8Q137 D138 L143 G145 T150Q137-L141 VanDerWaalsContact O-CB 3.28Å; Q137-L141 WeakPolarHBondContact O-CB 3.29Å; Q137-L141 WeakPolarHBondContact O-CG 3.37Å; Q137-L141 PolarHBondContact O-N 2.76Å; D138-L141 CarbonylContact O-C 3.55Å; D138-L141 PolarHBondContact O-N 2.94Å; L141-L143 VanDerWaalsContact C-N 3.27Å; L141-L143 PolarHBondContact O-N 3.23Å; L141-G145 WeakPolarHBondContact O-CA 3.13Å; L141-G145 PolarHBondContact O-N 3.15Å; L141-T150 HydrophobicContact CB-CG2 4.26Å
142D95.5Very high93.7Very high18 Ų1833.6 Ų33.610%0.09619%0.192CC..Hα-helixtrans-60.4-40.4173.8-153.370.3000110.8D138 D139 Y140 K152 G154 T155 D156D138-D142 WeakPolarHBondContact O-CB 3.09Å; D138-D142 PolarHBondContact O-N 3.22Å; D139-D142 WeakPolarHBondContact O-CB 3.49Å; D139-D142 PolarHBondContact O-N 3.15Å; Y140-D142 PolarHBondContact O-N 2.84Å; D142-K152 WeakPolarHBondContact OD1-CE 3.01Å; D142-K152 IonicContact OD1-NZ 2.92Å; D142-K152 PolarHBondContact OD1-NZ 3Å; D142-G154 VanDerWaalsContact O-CA 3.27Å; D142-G154 WeakPolarHBondContact O-CA 3.35Å; D142-G154 WeakPolarHBondContact OD1-CA 3.06Å; D142-G154 VanDerWaalsContact OD2-C 3.3Å; D142-G154 WeakPolarHBondContact OD2-CA 3.4Å; D142-T155 PolarHBondContact OD2-N 3.07Å; D142-D156 WeakPolarHBondContact OD2-CB 3.36Å; D142-D156 PolarHBondContact OD2-N 3.34Å
143L96.3Very high93.2Very high31 Ų3137.4 Ų37.416%0.16221%0.212CC..Hα-helixtrans-97.2-41.9-179-173.562.5000114.6Y140 L141 I157 L165 K197 Y200Y140-L143 PolarHBondContact O-N 3.21Å; L141-L143 VanDerWaalsContact C-N 3.27Å; L141-L143 PolarHBondContact O-N 3.23Å; L143-I157 HydrophobicContact CD1-CD1 3.51Å; L143-I157 HydrophobicContact CD2-CD1 4.01Å; L143-I157 HydrophobicContact CG-CD1 4.37Å; L143-L165 HydrophobicContact CB-CD1 3.91Å; L143-L165 HydrophobicContact CD2-CD1 3.91Å; L143-K197 HydrophobicContact CD1-CB 4.21Å; L143-K197 HydrophobicContact CD1-CD 4.09Å; L143-K197 HydrophobicContact CD1-CG 4.22Å; L143-K197 HydrophobicContact CD2-CB 4.32Å; L143-K197 HydrophobicContact CD2-CG 4.17Å; L143-K197 HydrophobicContact CG-CD 4.33Å; L143-K197 HydrophobicContact CG-CG 4.24Å; L143-Y200 HydrophobicContact CD2-CD2 3.4Å; L143-Y200 VanDerWaalsContact CD2-CD2 3.4Å; L143-Y200 HydrophobicContact CD2-CE2 3.86Å; L143-Y200 HydrophobicContact CD2-CG 4.5Å
144F95.9Very high92.8Very high43 Ų4338 Ų3819%0.18922%0.219CC..Hα-helixtrans-104.4-9.5-172.6-65.1-70.5000113.4Y140 L165 K197 E201 P206Y140-F144 AromaticContact CD2-CD2 3.68Å; Y140-F144 HydrophobicContact CD2-CD2 3.68Å; Y140-F144 HydrophobicContact CD2-CE2 4.41Å; Y140-F144 HydrophobicContact CD2-CG 4.48Å; Y140-F144 HydrophobicContact CE1-CB 4.07Å; Y140-F144 HydrophobicContact CE2-CB 3.98Å; Y140-F144 AromaticContact CE2-CD2 3.43Å; Y140-F144 HydrophobicContact CE2-CD2 3.43Å; Y140-F144 VanDerWaalsContact CE2-CD2 3.43Å; Y140-F144 HydrophobicContact CE2-CE2 4.16Å; Y140-F144 AromaticContact CE2-CG 3.93Å; Y140-F144 HydrophobicContact CE2-CG 3.93Å; Y140-F144 PolarHBondContact O-N 3.38Å; F144-L165 HydrophobicContact CD2-CD1 4.14Å; F144-L165 HydrophobicContact CE2-CD1 3.94Å; F144-L165 HydrophobicContact CE2-CD2 4.01Å; F144-K197 HydrophobicContact CE1-CG 4.23Å; F144-E201 HydrophobicContact CE1-CG 3.92Å; F144-E201 HydrophobicContact CZ-CG 4.32Å; F144-P206 HydrophobicContact CE1-CG 4.16Å; F144-P206 HydrophobicContact CE2-CG 4.32Å; F144-P206 HydrophobicContact CZ-CG 4.01Å
145G93.2Very high92.5Very high15 Ų1537 Ų3716%0.15522%0.217CC..SBendtrans-73.6148176.400000112.2L141 P147L141-G145 WeakPolarHBondContact O-CA 3.13Å; L141-G145 PolarHBondContact O-N 3.15Å; G145-P147 WeakPolarHBondContact O-CD 3.49Å
146D90.1Very high92.4Very high90 Ų9037.2 Ų37.248%0.48122%0.218SC..  trans-73.7118.9172.1-178.7-19.2000109.8S148 V149 T150D146-S148 PolarHBondContact O-N 3.02Å; D146-S148 VanDerWaalsContact O-N 3.1Å; D146-S148 VanDerWaalsContact OD1-CB 3.29Å; D146-S148 WeakPolarHBondContact OD1-CB 3.5Å; D146-S148 PolarHBondContact OD1-N 3.03Å; D146-S148 PolarHBondContact OD1-OG 3.37Å; D146-S148 PolarHBondContact OD2-OG 3.24Å; D146-S148 VanDerWaalsContact OD2-OG 3.05Å; D146-V149 HydrophobicContact CB-CB 4.39Å; D146-V149 HydrophobicContact CB-CG2 3.96Å; D146-V149 WeakPolarHBondContact O-CA 3.4Å; D146-V149 PolarHBondContact O-N 3.14Å; D146-T150 PolarHBondContact O-N 3.45Å; D146-T150 PolarHBondContact O-OG1 3.01Å
147P87.9Confident92.3Very high69 Ų6937.4 Ų37.445%0.44822%0.219SC..Hα-helixtrans-56-27.1179-27.136.5000114.5G145 V149 T150 G151G145-P147 WeakPolarHBondContact O-CD 3.49Å; P147-V149 PolarHBondContact O-N 3.44Å; P147-T150 WeakPolarHBondContact CA-OG1 3.46Å; P147-G151 VanDerWaalsContact O-CA 3.3Å; P147-G151 WeakPolarHBondContact O-CA 3.33Å; P147-G151 PolarHBondContact O-N 3.3Å
148S87.6Confident92.2Very high98 Ų9839.9 Ų39.969%0.68523%0.231SC*.Hα-helixtrans-68.5-25.7175.974.30000112.6D146D146-S148 PolarHBondContact O-N 3.02Å; D146-S148 VanDerWaalsContact O-N 3.1Å; D146-S148 VanDerWaalsContact OD1-CB 3.29Å; D146-S148 WeakPolarHBondContact OD1-CB 3.5Å; D146-S148 PolarHBondContact OD1-N 3.03Å; D146-S148 PolarHBondContact OD1-OG 3.37Å; D146-S148 PolarHBondContact OD2-OG 3.24Å; D146-S148 VanDerWaalsContact OD2-OG 3.05Å
149V87.3Confident92Very high63 Ų6338.8 Ų38.838%0.38223%0.225SC..Hα-helixtrans-94-46.4178.8-171.80000110.9D146 P147 G151 R247D146-V149 HydrophobicContact CB-CB 4.39Å; D146-V149 HydrophobicContact CB-CG2 3.96Å; D146-V149 WeakPolarHBondContact O-CA 3.4Å; D146-V149 PolarHBondContact O-N 3.14Å; P147-V149 PolarHBondContact O-N 3.44Å; V149-G151 VanDerWaalsContact C-N 3.28Å; V149-G151 PolarHBondContact O-N 2.94Å; V149-R247 HydrophobicContact CG1-CB 4.41Å; V149-R247 WeakPolarHBondContact CG1-O 3.38Å
150T86.9Confident91.9Very high28 Ų2838.4 Ų38.417%0.17222%0.223CC..Hα-helixtrans-71.9-25.418066.80000112L141 D146 P147 K152L141-T150 HydrophobicContact CB-CG2 4.26Å; D146-T150 PolarHBondContact O-N 3.45Å; D146-T150 PolarHBondContact O-OG1 3.01Å; P147-T150 WeakPolarHBondContact CA-OG1 3.46Å; T150-K152 PolarHBondContact O-N 2.69Å; T150-K152 PolarHBondContact OG1-N 3.25Å; T150-K152 PolarHBondContact OG1-O 3.15Å; T150-K152 VanDerWaalsContact OG1-O 3.06Å
151G86.4Confident91.8Very high16 Ų1637 Ų3717%0.16522%0.218CC..SBendtrans6917.3-179.500000113.9R8 G9 P147 V149R8-G151 PolarHBondContact N-O 3.49Å; G9-G151 PolarHBondContact N-O 3.48Å; P147-G151 VanDerWaalsContact O-CA 3.3Å; P147-G151 WeakPolarHBondContact O-CA 3.33Å; P147-G151 PolarHBondContact O-N 3.3Å; V149-G151 VanDerWaalsContact C-N 3.28Å; V149-G151 PolarHBondContact O-N 2.94Å
152K87.4Confident91.8Very high24 Ų2436 Ų3610%0.10421%0.213CC..SBendtrans-141.3154.1173.864.3170.6-178.4162.50109.9D138 D142 T150D138-K152 IonicContact OD1-NZ 2.89Å; D138-K152 PolarHBondContact OD1-NZ 3.06Å; D138-K152 IonicContact OD2-NZ 3.59Å; D142-K152 WeakPolarHBondContact OD1-CE 3.01Å; D142-K152 IonicContact OD1-NZ 2.92Å; D142-K152 PolarHBondContact OD1-NZ 3Å; T150-K152 PolarHBondContact O-N 2.69Å; T150-K152 PolarHBondContact OG1-N 3.25Å; T150-K152 PolarHBondContact OG1-O 3.15Å; T150-K152 VanDerWaalsContact OG1-O 3.06Å
153I87.8Confident91.9Very high100 Ų10035.4 Ų35.451%0.51321%0.21SC..  trans-91.2133165.9-60.3173.6000106.8
154G88.6Confident92.1Very high15 Ų1534.4 Ų34.416%0.15520%0.204CC..  trans-66.7142.6177.100000113D142D142-G154 VanDerWaalsContact O-CA 3.27Å; D142-G154 WeakPolarHBondContact O-CA 3.35Å; D142-G154 WeakPolarHBondContact OD1-CA 3.06Å; D142-G154 VanDerWaalsContact OD2-C 3.3Å; D142-G154 WeakPolarHBondContact OD2-CA 3.4Å
155T92.4Very high92.2Very high28 Ų2832.4 Ų32.417%0.17220%0.195CC..  trans-131.6-1.1-17865.60000113.2D142 I157 Q158 D159D142-T155 PolarHBondContact OD2-N 3.07Å; T155-I157 VanDerWaalsContact C-N 3.31Å; T155-I157 PolarHBondContact O-N 2.97Å; T155-Q158 PolarHBondContact O-N 3.36Å; T155-Q158 VanDerWaalsContact O-N 3.1Å; T155-Q158 PolarHBondContact O-OE1 3.45Å; T155-D159 WeakPolarHBondContact CB-OD2 3.48Å; T155-D159 WeakPolarHBondContact O-CB 3.4Å; T155-D159 PolarHBondContact O-N 3.09Å; T155-D159 PolarHBondContact OG1-OD2 3.4Å
156D95.3Very high92.4Very high25 Ų2531.7 Ų31.713%0.13419%0.188CC..THydrogen-bonded Turntrans-57.5-40.5-170.5-80.8-4.2000113.6D142 N160 K161D142-D156 WeakPolarHBondContact OD2-CB 3.36Å; D142-D156 PolarHBondContact OD2-N 3.34Å; D156-N160 PolarHBondContact O-N 3.25Å; D156-K161 HydrophobicContact CB-CB 3.99Å; D156-K161 HydrophobicContact CB-CG 4.23Å; D156-K161 WeakPolarHBondContact O-CB 3.42Å; D156-K161 PolarHBondContact O-N 2.94Å
157I96Very high92.8Very high7 Ų727.5 Ų27.54%0.03617%0.166CC..THydrogen-bonded Turntrans-66.4-48178.6-62.3174.9000110.3L143 T155 D159 N160 Y185 G186 V193 V196L143-I157 HydrophobicContact CD1-CD1 3.51Å; L143-I157 HydrophobicContact CD2-CD1 4.01Å; L143-I157 HydrophobicContact CG-CD1 4.37Å; T155-I157 VanDerWaalsContact C-N 3.31Å; T155-I157 PolarHBondContact O-N 2.97Å; I157-D159 VanDerWaalsContact C-N 3.31Å; I157-D159 PolarHBondContact O-N 2.92Å; I157-N160 PolarHBondContact O-N 2.88Å; I157-Y185 HydrophobicContact CB-CE2 4.19Å; I157-Y185 HydrophobicContact CG1-CE2 3.88Å; I157-Y185 HydrophobicContact CG2-CD2 3.94Å; I157-Y185 HydrophobicContact CG2-CE2 4.05Å; I157-G186 WeakPolarHBondContact O-CA 3.4Å; I157-G186 PolarHBondContact O-N 3.16Å; I157-V193 HydrophobicContact CB-CG1 4.33Å; I157-V193 HydrophobicContact CD1-CG1 4.05Å; I157-V193 HydrophobicContact CG2-CB 4.45Å; I157-V193 HydrophobicContact CG2-CG1 4.34Å; I157-V193 HydrophobicContact CG2-CG2 4.16Å; I157-V196 HydrophobicContact CD1-CB 4.06Å; I157-V196 HydrophobicContact CD1-CG1 3.69Å; I157-V196 HydrophobicContact CG1-CG1 4.13Å; I157-V196 HydrophobicContact CG2-CB 4.18Å; I157-V196 HydrophobicContact CG2-CG1 4.22Å; I157-V196 HydrophobicContact CG2-CG2 4.13Å
158Q94.6Very high93.3Very high54 Ų5425 Ų2525%0.25215%0.148SC..THydrogen-bonded Turntrans-65.9-36.7-178.1-61.191.9-42.800111.7T155 N160 G186 Q187 V193T155-Q158 PolarHBondContact O-N 3.36Å; T155-Q158 VanDerWaalsContact O-N 3.1Å; T155-Q158 PolarHBondContact O-OE1 3.45Å; Q158-N160 PolarHBondContact O-N 3.28Å; Q158-G186 CarbonylContact O-C 3.46Å; Q158-Q187 WeakPolarHBondContact CA-O 3.44Å; Q158-V193 HydrophobicContact CG-CG2 3.63Å
159D92.8Very high93.9Very high17 Ų1720.4 Ų20.49%0.09112%0.116CC..THydrogen-bonded Turntrans-83.86.4-178.4-69.1-25.5000112.7T155 I157 K161T155-D159 WeakPolarHBondContact CB-OD2 3.48Å; T155-D159 WeakPolarHBondContact O-CB 3.4Å; T155-D159 PolarHBondContact O-N 3.09Å; T155-D159 PolarHBondContact OG1-OD2 3.4Å; I157-D159 VanDerWaalsContact C-N 3.31Å; I157-D159 PolarHBondContact O-N 2.92Å; D159-K161 HydrophobicContact CB-CD 4.3Å; D159-K161 HydrophobicContact CB-CG 3.88Å; D159-K161 PolarHBondContact O-N 3.18Å
160N94.9Very high94.4Very high2 Ų219.1 Ų19.11%0.01111%0.107CC..THydrogen-bonded Turntrans57.532.4179.1-167.731.8000112.2A73 P74 N77 F83 D156 I157 Q158A73-N160 WeakPolarHBondContact CA-O 3.42Å; A73-N160 WeakPolarHBondContact CB-O 3.38Å; P74-N160 PolarHBondContact O-ND2 3.08Å; N77-N160 PolarHBondContact O-ND2 3.25Å; N77-N160 VanDerWaalsContact O-ND2 3.15Å; F83-N160 WeakPolarHBondContact CZ-O 3.37Å; D156-N160 PolarHBondContact O-N 3.25Å; I157-N160 PolarHBondContact O-N 2.88Å; Q158-N160 PolarHBondContact O-N 3.28Å
161K95.3Very high94.9Very high10 Ų1022.3 Ų22.34%0.04312%0.12CC..  trans-69.1141-175.2-65.5-64.5-168.9-179.50110.8D2 D69 A73 D156 D159 S163 Y185D2-K161 IonicContact OD1-NZ 2.72Å; D2-K161 PolarHBondContact OD1-NZ 3.27Å; D69-K161 IonicContact OD2-NZ 2.76Å; D69-K161 PolarHBondContact OD2-NZ 2.83Å; A73-K161 HydrophobicContact CB-CD 4.23Å; D156-K161 HydrophobicContact CB-CB 3.99Å; D156-K161 HydrophobicContact CB-CG 4.23Å; D156-K161 WeakPolarHBondContact O-CB 3.42Å; D156-K161 PolarHBondContact O-N 2.94Å; D159-K161 HydrophobicContact CB-CD 4.3Å; D159-K161 HydrophobicContact CB-CG 3.88Å; D159-K161 PolarHBondContact O-N 3.18Å; K161-S163 PolarHBondContact O-N 3.35Å; K161-Y185 WeakPolarHBondContact O-CE1 3.25Å; K161-Y185 PolarHBondContact O-OH 2.79Å
162C96.7Very high95.5Very high4 Ų426.5 Ų26.53%0.02713%0.13CC..  trans-76.668.5166.8-177.10000108.8T72 F83 Y88 I91T72-C162 HydrophobicContact CG2-CB 3.57Å; F83-C162 HydrophobicContact CD1-CB 3.61Å; F83-C162 HydrophobicContact CE1-CB 3.8Å; F83-C162 HydrophobicContact CG-CB 4.35Å; Y88-C162 WeakPolarHBondContact CD2-O 3.29Å; Y88-C162 WeakPolarHBondContact CE2-O 3.24Å; I91-C162 HydrophobicContact CD1-CB 4.18Å
163S97.6Very high96Very high5 Ų526.5 Ų26.54%0.03514%0.135CC..  trans-75.6163.9176.4720000111.5D139 K161 L165 V166 V167 Y185D139-S163 WeakPolarHBondContact OD2-CA 3.5Å; K161-S163 PolarHBondContact O-N 3.35Å; S163-L165 PolarHBondContact O-N 2.84Å; S163-V166 VanDerWaalsContact O-CG1 3.28Å; S163-V166 WeakPolarHBondContact O-CG1 3.46Å; S163-V166 PolarHBondContact O-N 3.31Å; S163-V166 PolarHBondContact OG-N 3Å; S163-V167 WeakPolarHBondContact O-CG2 3.46Å; S163-V167 PolarHBondContact O-N 2.98Å; S163-Y185 PolarHBondContact OG-OH 3.36Å
164W98.6Very high96.5Very high9 Ų924.7 Ų24.73%0.03413%0.128CC..Hα-helixtrans-57.6-41.1173.4-178.284.5000112Y88 I136 D139 V166 V167 Q168 V208 F209 Y212Y88-W164 HydrophobicContact CE1-CB 4.01Å; Y88-W164 AromaticContact CE1-CD1 3.95Å; Y88-W164 HydrophobicContact CE1-CG 4.41Å; Y88-W164 HydrophobicContact CE2-CB 4.07Å; I136-W164 HydrophobicContact CB-CB 4.44Å; I136-W164 HydrophobicContact CB-CG 4.26Å; I136-W164 HydrophobicContact CD1-CG 4.37Å; I136-W164 HydrophobicContact CG1-CB 4.05Å; I136-W164 HydrophobicContact CG1-CG 3.86Å; I136-W164 HydrophobicContact CG2-CB 4.14Å; I136-W164 HydrophobicContact CG2-CD2 3.66Å; I136-W164 HydrophobicContact CG2-CE3 4.24Å; I136-W164 HydrophobicContact CG2-CG 3.61Å; D139-W164 HydrophobicContact CB-CB 4.3Å; D139-W164 PolarHBondContact OD2-N 2.99Å; W164-V166 PolarHBondContact O-N 3.08Å; W164-V167 PolarHBondContact O-N 3Å; W164-Q168 HydrophobicContact CD2-CG 3.61Å; W164-Q168 HydrophobicContact CE3-CG 3.87Å; W164-Q168 HydrophobicContact CG-CG 4.29Å; W164-Q168 HydrophobicContact CH2-CG 3.7Å; W164-Q168 HydrophobicContact CZ2-CG 3.43Å; W164-Q168 VanDerWaalsContact CZ2-CG 3.43Å; W164-Q168 HydrophobicContact CZ3-CG 3.9Å; W164-Q168 WeakPolarHBondContact O-CG 3.44Å; W164-Q168 PolarHBondContact O-N 3.34Å; W164-V208 HydrophobicContact CH2-CB 4.41Å; W164-V208 HydrophobicContact CH2-CG1 3.89Å; W164-V208 HydrophobicContact CZ2-CG1 4.29Å; W164-F209 HydrophobicContact CH2-CB 3.82Å; W164-F209 HydrophobicContact CH2-CD2 4.48Å; W164-F209 HydrophobicContact CZ3-CB 3.82Å; W164-F209 HydrophobicContact CZ3-CD2 4.31Å; W164-Y212 HydrophobicContact CZ2-CG 4.16Å
165L98.6Very high97Very high2 Ų228.8 Ų28.81%0.0115%0.152CC..Hα-helixtrans-60.5-43.9-177.8-71.4171.1000112.2Y140 L143 F144 S163 V167 Q168 C169 Y200 L205Y140-L165 HydrophobicContact CD2-CD2 4.36Å; L143-L165 HydrophobicContact CB-CD1 3.91Å; L143-L165 HydrophobicContact CD2-CD1 3.91Å; F144-L165 HydrophobicContact CD2-CD1 4.14Å; F144-L165 HydrophobicContact CE2-CD1 3.94Å; F144-L165 HydrophobicContact CE2-CD2 4.01Å; S163-L165 PolarHBondContact O-N 2.84Å; L165-V167 VanDerWaalsContact C-N 3.33Å; L165-V167 PolarHBondContact O-N 3.12Å; L165-Q168 PolarHBondContact O-N 3.02Å; L165-C169 VanDerWaalsContact O-CB 3.32Å; L165-C169 WeakPolarHBondContact O-CB 3.45Å; L165-C169 PolarHBondContact O-N 3.26Å; L165-Y200 HydrophobicContact CB-CD2 3.88Å; L165-Y200 HydrophobicContact CB-CE2 3.48Å; L165-Y200 VanDerWaalsContact CB-CE2 3.48Å; L165-Y200 HydrophobicContact CD1-CD2 4.09Å; L165-Y200 HydrophobicContact CD1-CE2 4.14Å; L165-Y200 HydrophobicContact CD2-CD2 4.47Å; L165-Y200 HydrophobicContact CG-CD2 4.39Å; L165-Y200 HydrophobicContact CG-CE2 4.37Å; L165-L205 HydrophobicContact CD2-CB 4.06Å; L165-L205 HydrophobicContact CD2-CD1 4.11Å; L165-L205 WeakPolarHBondContact O-CD1 3.38Å
166V98.3Very high97.2Very high0 Ų033.5 Ų33.50%017%0.173CC..Hα-helixtrans-67.9-36178.972.50000111.8F83 S163 W164 C169 L170 L181 Y185 Y200F83-V166 HydrophobicContact CB-CG1 4.38Å; F83-V166 HydrophobicContact CD2-CB 4.34Å; F83-V166 HydrophobicContact CD2-CG1 3.65Å; F83-V166 HydrophobicContact CD2-CG2 3.68Å; F83-V166 HydrophobicContact CE2-CG1 4.13Å; F83-V166 HydrophobicContact CE2-CG2 4.12Å; F83-V166 HydrophobicContact CG-CG1 4.14Å; S163-V166 VanDerWaalsContact O-CG1 3.28Å; S163-V166 WeakPolarHBondContact O-CG1 3.46Å; S163-V166 PolarHBondContact O-N 3.31Å; S163-V166 PolarHBondContact OG-N 3Å; W164-V166 PolarHBondContact O-N 3.08Å; V166-C169 WeakPolarHBondContact O-CB 3.49Å; V166-C169 PolarHBondContact O-N 3.35Å; V166-L170 HydrophobicContact CG2-CD1 4.26Å; V166-L170 WeakPolarHBondContact O-CB 3.42Å; V166-L170 VanDerWaalsContact O-CG 3.24Å; V166-L170 WeakPolarHBondContact O-CG 3.41Å; V166-L170 PolarHBondContact O-N 3.26Å; V166-L181 HydrophobicContact CG2-CD1 4.27Å; V166-L181 HydrophobicContact CG2-CD2 3.86Å; V166-Y185 HydrophobicContact CB-CE1 4.37Å; V166-Y185 HydrophobicContact CB-CE2 4.08Å; V166-Y185 HydrophobicContact CG1-CE1 4.48Å; V166-Y185 HydrophobicContact CG2-CD1 4.49Å; V166-Y185 HydrophobicContact CG2-CD2 4.34Å; V166-Y185 HydrophobicContact CG2-CE1 4.11Å; V166-Y185 HydrophobicContact CG2-CE2 3.98Å; V166-Y200 VanDerWaalsContact CA-OH 3.26Å; V166-Y200 WeakPolarHBondContact CA-OH 3.24Å; V166-Y200 VanDerWaalsContact CB-OH 3.28Å; V166-Y200 WeakPolarHBondContact CB-OH 3.39Å; V166-Y200 PolarHBondContact N-OH 3Å
167V98.4Very high97.4Very high2 Ų233.3 Ų33.31%0.01217%0.171CC..Hα-helixtrans-64.5-45.4174.8175.80000110.8F83 E85 S163 W164 L165 L170 Q171F83-V167 HydrophobicContact CB-CG2 4.4Å; E85-V167 HydrophobicContact CB-CG1 4.15Å; S163-V167 WeakPolarHBondContact O-CG2 3.46Å; S163-V167 PolarHBondContact O-N 2.98Å; W164-V167 PolarHBondContact O-N 3Å; L165-V167 VanDerWaalsContact C-N 3.33Å; L165-V167 PolarHBondContact O-N 3.12Å; V167-L170 PolarHBondContact O-N 3.44Å; V167-Q171 WeakPolarHBondContact O-CG 3.48Å; V167-Q171 PolarHBondContact O-N 2.91Å; V167-Q171 VanDerWaalsContact O-N 3.11Å
168Q98.7Very high97.5Very high17 Ų1737.2 Ų37.28%0.07919%0.186CC..Hα-helixtrans-66.2-37.6177.7-66.6-54.7-56.400112.6W164 L165 Q171 R172 L205W164-Q168 HydrophobicContact CD2-CG 3.61Å; W164-Q168 HydrophobicContact CE3-CG 3.87Å; W164-Q168 HydrophobicContact CG-CG 4.29Å; W164-Q168 HydrophobicContact CH2-CG 3.7Å; W164-Q168 HydrophobicContact CZ2-CG 3.43Å; W164-Q168 VanDerWaalsContact CZ2-CG 3.43Å; W164-Q168 HydrophobicContact CZ3-CG 3.9Å; W164-Q168 WeakPolarHBondContact O-CG 3.44Å; W164-Q168 PolarHBondContact O-N 3.34Å; L165-Q168 PolarHBondContact O-N 3.02Å; Q168-Q171 PolarHBondContact O-N 3Å; Q168-R172 PolarHBondContact O-N 3.24Å; Q168-R172 PolarHBondContact O-NH1 2.79Å; Q168-L205 HydrophobicContact CB-CD1 4.44Å; Q168-L205 HydrophobicContact CB-CD2 4.03Å
169C98.6Very high97.6Very high0 Ų038.4 Ų38.40%019%0.191CC..Hα-helixtrans-58.8-50.8173-177.30000110.5L165 V166 Q171 R172 A173 Y200 L203 L205L165-C169 VanDerWaalsContact O-CB 3.32Å; L165-C169 WeakPolarHBondContact O-CB 3.45Å; L165-C169 PolarHBondContact O-N 3.26Å; V166-C169 WeakPolarHBondContact O-CB 3.49Å; V166-C169 PolarHBondContact O-N 3.35Å; C169-Q171 VanDerWaalsContact C-N 3.26Å; C169-Q171 PolarHBondContact O-N 2.87Å; C169-R172 PolarHBondContact O-N 3.13Å; C169-A173 WeakPolarHBondContact O-CB 3.37Å; C169-A173 PolarHBondContact O-N 2.81Å; C169-Y200 HydrophobicContact CB-CD1 3.87Å; C169-Y200 HydrophobicContact CB-CE1 3.46Å; C169-Y200 VanDerWaalsContact CB-CE1 3.46Å; C169-L203 HydrophobicContact CB-CD1 4.23Å; C169-L203 WeakPolarHBondContact SG-CD1 3.23Å; C169-L205 HydrophobicContact CB-CD1 4.09Å
170L98.3Very high97.9Very high37 Ų3739.3 Ų39.319%0.19420%0.196CC..Hα-helixtrans-62.8-30.2-179-74.5170000113.5L80 F83 V166 V167 R172 Y178 L181L80-L170 HydrophobicContact CB-CD1 4.29Å; L80-L170 HydrophobicContact CB-CD2 4.35Å; L80-L170 HydrophobicContact CD1-CD2 4.24Å; F83-L170 HydrophobicContact CB-CD1 3.49Å; F83-L170 VanDerWaalsContact CB-CD1 3.49Å; F83-L170 HydrophobicContact CD2-CD1 4.15Å; F83-L170 HydrophobicContact CG-CD1 4.34Å; V166-L170 HydrophobicContact CG2-CD1 4.26Å; V166-L170 WeakPolarHBondContact O-CB 3.42Å; V166-L170 VanDerWaalsContact O-CG 3.24Å; V166-L170 WeakPolarHBondContact O-CG 3.41Å; V166-L170 PolarHBondContact O-N 3.26Å; V167-L170 PolarHBondContact O-N 3.44Å; L170-R172 VanDerWaalsContact C-N 3.28Å; L170-R172 PolarHBondContact O-N 2.73Å; L170-Y178 HydrophobicContact CD2-CD2 3.51Å; L170-Y178 HydrophobicContact CD2-CE2 3.51Å; L170-L181 HydrophobicContact CD2-CD2 3.65Å; L170-L181 HydrophobicContact CG-CD2 3.86Å
171Q98.1Very high98Very high95 Ų9539.2 Ų39.244%0.44420%0.195SC..Hα-helixtrans-71.7-20.8175.5-73.6176.6-10.800113.6E85 V167 Q168 C169E85-Q171 PolarHBondContact OE2-NE2 2.81Å; V167-Q171 WeakPolarHBondContact O-CG 3.48Å; V167-Q171 PolarHBondContact O-N 2.91Å; V167-Q171 VanDerWaalsContact O-N 3.11Å; Q168-Q171 PolarHBondContact O-N 3Å; C169-Q171 VanDerWaalsContact C-N 3.26Å; C169-Q171 PolarHBondContact O-N 2.87Å
172R98.4Very high98.1Very high104 Ų10443.6 Ų43.639%0.39221%0.214SC..Hα-helixtrans-117.1-20.2-172-70.3168.7-177.170.6-3.6113.9Q168 C169 L170 L203Q168-R172 PolarHBondContact O-N 3.24Å; Q168-R172 PolarHBondContact O-NH1 2.79Å; C169-R172 PolarHBondContact O-N 3.13Å; L170-R172 VanDerWaalsContact C-N 3.28Å; L170-R172 PolarHBondContact O-N 2.73Å; R172-L203 HydrophobicContact CB-CD2 4.27Å
173A98.1Very high98Very high24 Ų2448.6 Ų48.620%0.19824%0.237CC..  trans-64.3137.6-173.500000112.2C169 Q177C169-A173 WeakPolarHBondContact O-CB 3.37Å; C169-A173 PolarHBondContact O-N 2.81Å; A173-Q177 HydrophobicContact CB-CB 3.83Å
174T98.6Very high98Very high61 Ų6149.4 Ų49.437%0.37424%0.241SC..  trans-67.8167.6163.277.90000110.8E176 Q177 Y178T174-E176 WeakPolarHBondContact CB-OE2 3.14Å; T174-E176 PolarHBondContact O-N 3.34Å; T174-E176 PolarHBondContact OG1-N 3.49Å; T174-E176 PolarHBondContact OG1-OE2 2.93Å; T174-Q177 PolarHBondContact O-N 3.27Å; T174-Q177 PolarHBondContact OG1-N 3.14Å; T174-Y178 WeakPolarHBondContact O-CB 3.45Å; T174-Y178 PolarHBondContact O-N 2.97Å
175P98.3Very high98Very high102 Ų10249 Ų4966%0.66224%0.24SC*.Hα-helixtrans-54.5-37.3174.1-27.337.1000113.8Q179P175-Q179 PolarHBondContact O-N 3.29Å; P175-Q179 VanDerWaalsContact O-N 3.11Å
176E98.3Very high97.8Very high127 Ų12749.6 Ų49.659%0.59325%0.246SC*.Hα-helixtrans-69-45.5177.7-58.472.9-157.400111.2T174 Y178 Q179 I180T174-E176 WeakPolarHBondContact CB-OE2 3.14Å; T174-E176 PolarHBondContact O-N 3.34Å; T174-E176 PolarHBondContact OG1-N 3.49Å; T174-E176 PolarHBondContact OG1-OE2 2.93Å; E176-Y178 VanDerWaalsContact C-N 3.33Å; E176-Y178 PolarHBondContact O-N 3.47Å; E176-Q179 PolarHBondContact O-N 3.49Å; E176-I180 WeakPolarHBondContact O-CG1 3.32Å; E176-I180 PolarHBondContact O-N 3.25Å
177Q98.5Very high97.6Very high21 Ų2151.7 Ų51.710%0.09826%0.256CS..Hα-helixtrans-64.3-37176.3-72.7174.7-25.300112.1A173 T174 Q179 I180 L181 L199 E202A173-Q177 HydrophobicContact CB-CB 3.83Å; T174-Q177 PolarHBondContact O-N 3.27Å; T174-Q177 PolarHBondContact OG1-N 3.14Å; Q177-Q179 VanDerWaalsContact C-N 3.32Å; Q177-Q179 PolarHBondContact O-N 2.97Å; Q177-I180 WeakPolarHBondContact O-CB 3.25Å; Q177-I180 PolarHBondContact O-N 3.48Å; Q177-L181 PolarHBondContact O-N 3.07Å; Q177-L199 HydrophobicContact CB-CD1 3.81Å; Q177-L199 HydrophobicContact CG-CD1 3.66Å; Q177-L199 WeakPolarHBondContact O-CD2 3.48Å; Q177-E202 PolarHBondContact NE2-OE1 2.9Å
178Y98Very high97.3Very high88 Ų8859.5 Ų59.535%0.34529%0.29SS..Hα-helixtrans-60.3-43.7172.6177.3-86.6000111.3L80 L170 T174 E176 L181 K182L80-Y178 HydrophobicContact CB-CE2 4.32Å; L80-Y178 HydrophobicContact CD1-CE2 3.99Å; L170-Y178 HydrophobicContact CD2-CD2 3.51Å; L170-Y178 HydrophobicContact CD2-CE2 3.51Å; T174-Y178 WeakPolarHBondContact O-CB 3.45Å; T174-Y178 PolarHBondContact O-N 2.97Å; E176-Y178 VanDerWaalsContact C-N 3.33Å; E176-Y178 PolarHBondContact O-N 3.47Å; Y178-L181 PolarHBondContact O-N 2.86Å; Y178-K182 HydrophobicContact CE1-CD 4.24Å; Y178-K182 WeakPolarHBondContact O-CB 3.49Å; Y178-K182 PolarHBondContact O-N 3.48Å
179Q97.8Very high97.2Very high79 Ų7962.5 Ų62.537%0.36930%0.304SS..Hα-helixtrans-65.7-40.5178.9-171.457.529.900111.5P175 E176 Q177 L181 K182 E183P175-Q179 PolarHBondContact O-N 3.29Å; P175-Q179 VanDerWaalsContact O-N 3.11Å; E176-Q179 PolarHBondContact O-N 3.49Å; Q177-Q179 VanDerWaalsContact C-N 3.32Å; Q177-Q179 PolarHBondContact O-N 2.97Å; Q179-L181 PolarHBondContact O-N 2.83Å; Q179-K182 PolarHBondContact O-N 2.96Å; Q179-E183 WeakPolarHBondContact CG-OE1 3.43Å; Q179-E183 PolarHBondContact NE2-OE1 3.36Å; Q179-E183 WeakPolarHBondContact O-CG 3.28Å; Q179-E183 PolarHBondContact O-N 2.96Å
180I98Very high97Very high37 Ų3766.2 Ų66.219%0.1933%0.334CS..Hα-helixtrans-56.7-49.5171.5-69.4157.1000110.6E176 Q177 K182 E183 N184 R195 L199E176-I180 WeakPolarHBondContact O-CG1 3.32Å; E176-I180 PolarHBondContact O-N 3.25Å; Q177-I180 WeakPolarHBondContact O-CB 3.25Å; Q177-I180 PolarHBondContact O-N 3.48Å; I180-K182 PolarHBondContact O-N 2.85Å; I180-E183 PolarHBondContact O-N 3.37Å; I180-N184 WeakPolarHBondContact O-CB 3.19Å; I180-N184 PolarHBondContact O-N 3.02Å; I180-N184 PolarHBondContact O-ND2 2.61Å; I180-R195 VanDerWaalsContact CD1-NH2 3.35Å; I180-R195 HydrophobicContact CG2-CG 3.9Å; I180-L199 HydrophobicContact CB-CD2 4.49Å; I180-L199 HydrophobicContact CG2-CD2 4.17Å
181L97.9Very high97Very high0 Ų070.1 Ų70.10%035%0.352CS..Hα-helixtrans-59.1-47.8178.9-178.366.5000111L80 V166 L170 Q177 Y178 Q179 E183 N184 Y185 V196 L199 Y200L80-L181 HydrophobicContact CD1-CD2 4.19Å; L80-L181 HydrophobicContact CD1-CG 4.23Å; V166-L181 HydrophobicContact CG2-CD1 4.27Å; V166-L181 HydrophobicContact CG2-CD2 3.86Å; L170-L181 HydrophobicContact CD2-CD2 3.65Å; L170-L181 HydrophobicContact CG-CD2 3.86Å; Q177-L181 PolarHBondContact O-N 3.07Å; Y178-L181 PolarHBondContact O-N 2.86Å; Q179-L181 PolarHBondContact O-N 2.83Å; L181-E183 VanDerWaalsContact C-N 3.3Å; L181-E183 PolarHBondContact O-N 3.27Å; L181-N184 PolarHBondContact O-N 2.97Å; L181-Y185 HydrophobicContact CD1-CD2 3.59Å; L181-Y185 HydrophobicContact CD1-CE2 4.36Å; L181-Y185 HydrophobicContact CD1-CG 4.11Å; L181-Y185 VanDerWaalsContact O-CB 3.24Å; L181-Y185 WeakPolarHBondContact O-CB 3.26Å; L181-Y185 PolarHBondContact O-N 2.82Å; L181-V196 HydrophobicContact CD1-CG1 4.05Å; L181-V196 HydrophobicContact CD1-CG2 4.31Å; L181-L199 HydrophobicContact CB-CD2 3.95Å; L181-Y200 HydrophobicContact CD1-CE1 4.18Å
182K96.1Very high97Very high102 Ų10268 Ų6844%0.44334%0.341SS..Hα-helixtrans-59-37.9-180-175-178.6175.7-174.20113.3L80 Y178 Q179 I180 N184L80-K182 HydrophobicContact CD1-CB 3.88Å; L80-K182 HydrophobicContact CD1-CG 4.39Å; Y178-K182 HydrophobicContact CE1-CD 4.24Å; Y178-K182 WeakPolarHBondContact O-CB 3.49Å; Y178-K182 PolarHBondContact O-N 3.48Å; Q179-K182 PolarHBondContact O-N 2.96Å; I180-K182 PolarHBondContact O-N 2.85Å; K182-N184 VanDerWaalsContact C-N 3.34Å
183E95.9Very high96.9Very high108 Ų10864.1 Ų64.151%0.50533%0.329SS..Hα-helixtrans-77.3-18.7-178.7-73.7171.7-173.700114Q179 I180 L181 Q187Q179-E183 WeakPolarHBondContact CG-OE1 3.43Å; Q179-E183 PolarHBondContact NE2-OE1 3.36Å; Q179-E183 WeakPolarHBondContact O-CG 3.28Å; Q179-E183 PolarHBondContact O-N 2.96Å; I180-E183 PolarHBondContact O-N 3.37Å; L181-E183 VanDerWaalsContact C-N 3.3Å; L181-E183 PolarHBondContact O-N 3.27Å; E183-Q187 PolarHBondContact O-NE2 3.26Å
184N97.3Very high96.9Very high23 Ų2365.7 Ų65.712%0.12334%0.342CS..Hα-helixtrans-119.4-24.1-170.1-67.5-83.8000114.4I180 L181 K182 K192 R195 V196I180-N184 WeakPolarHBondContact O-CB 3.19Å; I180-N184 PolarHBondContact O-N 3.02Å; I180-N184 PolarHBondContact O-ND2 2.61Å; L181-N184 PolarHBondContact O-N 2.97Å; K182-N184 VanDerWaalsContact C-N 3.34Å; N184-K192 HydrophobicContact CB-CB 4.03Å; N184-K192 WeakPolarHBondContact OD1-CG 3.43Å; N184-R195 HydrophobicContact CB-CB 4.44Å; N184-V196 HydrophobicContact CB-CG2 3.7Å
185Y97Very high96.9Very high0 Ų067 Ų670%034%0.34CS..THydrogen-bonded Turntrans-73.9152-179-150.6-101.1000112.3V78 F83 I157 K161 S163 V166 L181 Q187 V196 Y200V78-Y185 VanDerWaalsContact CG2-O 3.3Å; V78-Y185 WeakPolarHBondContact CG2-O 3.19Å; F83-Y185 AromaticContact CE2-CD1 3.99Å; F83-Y185 HydrophobicContact CE2-CD1 3.99Å; F83-Y185 AromaticContact CE2-CE1 3.8Å; F83-Y185 HydrophobicContact CE2-CE1 3.8Å; F83-Y185 HydrophobicContact CZ-CE1 4.37Å; I157-Y185 HydrophobicContact CB-CE2 4.19Å; I157-Y185 HydrophobicContact CG1-CE2 3.88Å; I157-Y185 HydrophobicContact CG2-CD2 3.94Å; I157-Y185 HydrophobicContact CG2-CE2 4.05Å; K161-Y185 WeakPolarHBondContact O-CE1 3.25Å; K161-Y185 PolarHBondContact O-OH 2.79Å; S163-Y185 PolarHBondContact OG-OH 3.36Å; V166-Y185 HydrophobicContact CB-CE1 4.37Å; V166-Y185 HydrophobicContact CB-CE2 4.08Å; V166-Y185 HydrophobicContact CG1-CE1 4.48Å; V166-Y185 HydrophobicContact CG2-CD1 4.49Å; V166-Y185 HydrophobicContact CG2-CD2 4.34Å; V166-Y185 HydrophobicContact CG2-CE1 4.11Å; V166-Y185 HydrophobicContact CG2-CE2 3.98Å; L181-Y185 HydrophobicContact CD1-CD2 3.59Å; L181-Y185 HydrophobicContact CD1-CE2 4.36Å; L181-Y185 HydrophobicContact CD1-CG 4.11Å; L181-Y185 VanDerWaalsContact O-CB 3.24Å; L181-Y185 WeakPolarHBondContact O-CB 3.26Å; L181-Y185 PolarHBondContact O-N 2.82Å; Y185-Q187 VanDerWaalsContact C-N 3.3Å; Y185-Q187 PolarHBondContact O-N 3.36Å; Y185-V196 HydrophobicContact CD2-CB 4.49Å; Y185-V196 HydrophobicContact CD2-CG1 3.69Å; Y185-V196 HydrophobicContact CD2-CG2 4Å; Y185-V196 HydrophobicContact CE2-CG1 3.92Å; Y185-Y200 WeakPolarHBondContact CE2-OH 3.25Å
186G94.9Very high96.9Very high14 Ų1462.1 Ų62.114%0.14431%0.308CS..THydrogen-bonded Turntrans70.822.317700000114.8I157 Q158I157-G186 WeakPolarHBondContact O-CA 3.4Å; I157-G186 PolarHBondContact O-N 3.16Å; Q158-G186 CarbonylContact O-C 3.46Å
187Q93.8Very high96.9Very high44 Ų4459.5 Ų59.521%0.20630%0.295CS..  trans-125148.5-173.3-72.6179.562.900111Q158 E183 Y185 E189 K192Q158-Q187 WeakPolarHBondContact CA-O 3.44Å; E183-Q187 PolarHBondContact O-NE2 3.26Å; Y185-Q187 VanDerWaalsContact C-N 3.3Å; Y185-Q187 PolarHBondContact O-N 3.36Å; Q187-E189 WeakPolarHBondContact CB-OE2 3.31Å; Q187-K192 HydrophobicContact CB-CB 4.45Å; Q187-K192 HydrophobicContact CB-CD 4Å; Q187-K192 HydrophobicContact CG-CD 4.43Å; Q187-K192 VanDerWaalsContact OE1-CE 3.31Å
188K92.9Very high96.9Very high166 Ų16660.3 Ų60.372%0.72231%0.305SS*.  trans-89-17.2-169.8-65.5-175.1179.9-179.20112.6A190K188-A190 PolarHBondContact O-N 3.15Å
189E95.6Very high97Very high81 Ų8156.1 Ų56.138%0.37929%0.289SS..  trans-66.6126.6-177.2-60.393136.500110.9Q187 E191 K192 V193Q187-E189 WeakPolarHBondContact CB-OE2 3.31Å; E189-E191 VanDerWaalsContact C-N 3.28Å; E189-E191 VanDerWaalsContact CB-OE1 3.25Å; E189-E191 WeakPolarHBondContact CB-OE1 3.5Å; E189-E191 WeakPolarHBondContact CB-OE2 3.33Å; E189-E191 PolarHBondContact O-N 3.18Å; E189-K192 HydrophobicContact CB-CB 4.47Å; E189-K192 HydrophobicContact CB-CD 4.25Å; E189-K192 HydrophobicContact CB-CG 4.1Å; E189-K192 PolarHBondContact O-N 2.94Å; E189-K192 VanDerWaalsContact O-N 3.07Å; E189-K192 IonicContact OE1-NZ 3.75Å; E189-V193 PolarHBondContact O-N 3.23Å; E189-V193 VanDerWaalsContact O-N 3.15Å
190A95.4Very high97Very high77 Ų7752.5 Ų52.564%0.63627%0.272SS*.Hα-helixtrans-63-34.2-170.400000112.6K188 K192 V193 A194K188-A190 PolarHBondContact O-N 3.15Å; A190-K192 VanDerWaalsContact C-N 3.31Å; A190-K192 PolarHBondContact O-N 2.91Å; A190-V193 PolarHBondContact O-N 3.38Å; A190-A194 WeakPolarHBondContact O-CB 3.23Å; A190-A194 PolarHBondContact O-N 3.38Å
191E97.8Very high97Very high120 Ų12055.5 Ų55.556%0.56129%0.285SS*.Hα-helixtrans-66.7-32.8177.174.6-73.5176.600112.4E189 R195E189-E191 VanDerWaalsContact C-N 3.28Å; E189-E191 VanDerWaalsContact CB-OE1 3.25Å; E189-E191 WeakPolarHBondContact CB-OE1 3.5Å; E189-E191 WeakPolarHBondContact CB-OE2 3.33Å; E189-E191 PolarHBondContact O-N 3.18Å; E191-R195 WeakPolarHBondContact O-CB 3.28Å; E191-R195 PolarHBondContact O-N 3.43Å
192K97.6Very high97.1Very high50 Ų5061 Ų6122%0.21731%0.311CS..Hα-helixtrans-74.6-42.8177.9-61-168.3-176.3-176.90111N184 Q187 E189 A190 A194 R195 V196N184-K192 HydrophobicContact CB-CB 4.03Å; N184-K192 WeakPolarHBondContact OD1-CG 3.43Å; Q187-K192 HydrophobicContact CB-CB 4.45Å; Q187-K192 HydrophobicContact CB-CD 4Å; Q187-K192 HydrophobicContact CG-CD 4.43Å; Q187-K192 VanDerWaalsContact OE1-CE 3.31Å; E189-K192 HydrophobicContact CB-CB 4.47Å; E189-K192 HydrophobicContact CB-CD 4.25Å; E189-K192 HydrophobicContact CB-CG 4.1Å; E189-K192 PolarHBondContact O-N 2.94Å; E189-K192 VanDerWaalsContact O-N 3.07Å; E189-K192 IonicContact OE1-NZ 3.75Å; A190-K192 VanDerWaalsContact C-N 3.31Å; A190-K192 PolarHBondContact O-N 2.91Å; K192-A194 VanDerWaalsContact C-N 3.31Å; K192-A194 PolarHBondContact O-N 3.4Å; K192-R195 WeakPolarHBondContact O-CB 3.41Å; K192-R195 PolarHBondContact O-N 3.32Å; K192-R195 VanDerWaalsContact O-N 3.13Å; K192-V196 WeakPolarHBondContact O-CG2 3.5Å; K192-V196 PolarHBondContact O-N 2.94Å
193V97.3Very high97.2Very high22 Ų2257.5 Ų57.513%0.13330%0.297CS..Hα-helixtrans-57.8-46.2171.4178.60000110.7I157 Q158 E189 A190 R195 V196 K197I157-V193 HydrophobicContact CB-CG1 4.33Å; I157-V193 HydrophobicContact CD1-CG1 4.05Å; I157-V193 HydrophobicContact CG2-CB 4.45Å; I157-V193 HydrophobicContact CG2-CG1 4.34Å; I157-V193 HydrophobicContact CG2-CG2 4.16Å; Q158-V193 HydrophobicContact CG-CG2 3.63Å; E189-V193 PolarHBondContact O-N 3.23Å; E189-V193 VanDerWaalsContact O-N 3.15Å; A190-V193 PolarHBondContact O-N 3.38Å; V193-R195 VanDerWaalsContact C-N 3.31Å; V193-R195 PolarHBondContact O-N 3.44Å; V193-V196 PolarHBondContact O-N 3.13Å; V193-K197 PolarHBondContact O-N 2.97Å
194A97.9Very high97.3Very high58 Ų5856.8 Ų56.848%0.47930%0.297SS..Hα-helixtrans-62.4-37.3176.200000112.2A190 K192 K197 A198A190-A194 WeakPolarHBondContact O-CB 3.23Å; A190-A194 PolarHBondContact O-N 3.38Å; K192-A194 VanDerWaalsContact C-N 3.31Å; K192-A194 PolarHBondContact O-N 3.4Å; A194-K197 PolarHBondContact O-N 2.81Å; A194-A198 WeakPolarHBondContact O-CB 3.43Å; A194-A198 PolarHBondContact O-N 3.23Å
195R98.5Very high97.4Very high87 Ų8755.7 Ų55.733%0.32829%0.291SS..Hα-helixtrans-65.4-40177.3-175.362.4-171.7109.3-12.1112.6I180 N184 E191 K192 V193 L199I180-R195 VanDerWaalsContact CD1-NH2 3.35Å; I180-R195 HydrophobicContact CG2-CG 3.9Å; N184-R195 HydrophobicContact CB-CB 4.44Å; E191-R195 WeakPolarHBondContact O-CB 3.28Å; E191-R195 PolarHBondContact O-N 3.43Å; K192-R195 WeakPolarHBondContact O-CB 3.41Å; K192-R195 PolarHBondContact O-N 3.32Å; K192-R195 VanDerWaalsContact O-N 3.13Å; V193-R195 VanDerWaalsContact C-N 3.31Å; V193-R195 PolarHBondContact O-N 3.44Å; R195-L199 PolarHBondContact O-N 3.34Å
196V98.6Very high97.5Very high0 Ų057.1 Ų57.10%030%0.3CS..Hα-helixtrans-63.8-45.6173.4173.10000110.5I157 L181 N184 Y185 K192 V193 A198 L199 Y200I157-V196 HydrophobicContact CD1-CB 4.06Å; I157-V196 HydrophobicContact CD1-CG1 3.69Å; I157-V196 HydrophobicContact CG1-CG1 4.13Å; I157-V196 HydrophobicContact CG2-CB 4.18Å; I157-V196 HydrophobicContact CG2-CG1 4.22Å; I157-V196 HydrophobicContact CG2-CG2 4.13Å; L181-V196 HydrophobicContact CD1-CG1 4.05Å; L181-V196 HydrophobicContact CD1-CG2 4.31Å; N184-V196 HydrophobicContact CB-CG2 3.7Å; Y185-V196 HydrophobicContact CD2-CB 4.49Å; Y185-V196 HydrophobicContact CD2-CG1 3.69Å; Y185-V196 HydrophobicContact CD2-CG2 4Å; Y185-V196 HydrophobicContact CE2-CG1 3.92Å; K192-V196 WeakPolarHBondContact O-CG2 3.5Å; K192-V196 PolarHBondContact O-N 2.94Å; V193-V196 PolarHBondContact O-N 3.13Å; V196-A198 PolarHBondContact O-N 3.36Å; V196-L199 WeakPolarHBondContact O-CB 3.3Å; V196-L199 PolarHBondContact O-N 2.92Å; V196-L199 VanDerWaalsContact O-N 3.14Å; V196-Y200 HydrophobicContact CG1-CD1 4.39Å; V196-Y200 HydrophobicContact CG1-CD2 4.46Å; V196-Y200 HydrophobicContact CG1-CE1 3.82Å; V196-Y200 HydrophobicContact CG1-CE2 3.9Å; V196-Y200 PolarHBondContact O-N 3.43Å
197K98.5Very high97.6Very high73 Ų7358.3 Ų58.332%0.31731%0.309SS..Hα-helixtrans-58.3-47176.6-176.9174.4176.9169.60111.9L143 F144 V193 A194 L199 Y200 E201L143-K197 HydrophobicContact CD1-CB 4.21Å; L143-K197 HydrophobicContact CD1-CD 4.09Å; L143-K197 HydrophobicContact CD1-CG 4.22Å; L143-K197 HydrophobicContact CD2-CB 4.32Å; L143-K197 HydrophobicContact CD2-CG 4.17Å; L143-K197 HydrophobicContact CG-CD 4.33Å; L143-K197 HydrophobicContact CG-CG 4.24Å; F144-K197 HydrophobicContact CE1-CG 4.23Å; V193-K197 PolarHBondContact O-N 2.97Å; A194-K197 PolarHBondContact O-N 2.81Å; K197-L199 VanDerWaalsContact C-N 3.26Å; K197-L199 PolarHBondContact O-N 3.36Å; K197-Y200 WeakPolarHBondContact O-CB 3.49Å; K197-Y200 PolarHBondContact O-N 2.95Å; K197-Y200 VanDerWaalsContact O-N 3.07Å; K197-E201 VanDerWaalsContact CE-OE1 3.22Å; K197-E201 WeakPolarHBondContact CE-OE1 3.49Å; K197-E201 WeakPolarHBondContact O-CG 3.44Å; K197-E201 PolarHBondContact O-N 3Å
198A98.6Very high97.8Very high38 Ų3857.8 Ų57.831%0.31431%0.308SS..Hα-helixtrans-60.6-3617700000112.2A194 V196 E201 E202A194-A198 WeakPolarHBondContact O-CB 3.43Å; A194-A198 PolarHBondContact O-N 3.23Å; V196-A198 PolarHBondContact O-N 3.36Å; A198-E201 PolarHBondContact O-N 3.14Å; A198-E202 WeakPolarHBondContact O-CB 3.46Å; A198-E202 PolarHBondContact O-N 3.49Å
199L98.8Very high98.1Very high0 Ų050.4 Ų50.40%028%0.276CS..Hα-helixtrans-66-38.8173.9176.461.8000112Q177 I180 L181 R195 V196 K197 E201 E202 L203Q177-L199 HydrophobicContact CB-CD1 3.81Å; Q177-L199 HydrophobicContact CG-CD1 3.66Å; Q177-L199 WeakPolarHBondContact O-CD2 3.48Å; I180-L199 HydrophobicContact CB-CD2 4.49Å; I180-L199 HydrophobicContact CG2-CD2 4.17Å; L181-L199 HydrophobicContact CB-CD2 3.95Å; R195-L199 PolarHBondContact O-N 3.34Å; V196-L199 WeakPolarHBondContact O-CB 3.3Å; V196-L199 PolarHBondContact O-N 2.92Å; V196-L199 VanDerWaalsContact O-N 3.14Å; K197-L199 VanDerWaalsContact C-N 3.26Å; K197-L199 PolarHBondContact O-N 3.36Å; L199-E201 VanDerWaalsContact C-N 3.31Å; L199-E202 PolarHBondContact O-N 3.34Å; L199-L203 HydrophobicContact CD1-CD1 4.27Å; L199-L203 HydrophobicContact CD1-CG 4.38Å; L199-L203 HydrophobicContact CG-CD1 4.36Å; L199-L203 WeakPolarHBondContact O-CG 3.26Å; L199-L203 PolarHBondContact O-N 3.35Å
200Y98.8Very high98.2Very high2 Ų250.9 Ų50.91%0.00828%0.281CS..Hα-helixtrans-66.9-34.5175.5-67.3-3.6000112.4L143 L165 V166 C169 L181 Y185 V196 K197 D204 L205L143-Y200 HydrophobicContact CD2-CD2 3.4Å; L143-Y200 VanDerWaalsContact CD2-CD2 3.4Å; L143-Y200 HydrophobicContact CD2-CE2 3.86Å; L143-Y200 HydrophobicContact CD2-CG 4.5Å; L165-Y200 HydrophobicContact CB-CD2 3.88Å; L165-Y200 HydrophobicContact CB-CE2 3.48Å; L165-Y200 VanDerWaalsContact CB-CE2 3.48Å; L165-Y200 HydrophobicContact CD1-CD2 4.09Å; L165-Y200 HydrophobicContact CD1-CE2 4.14Å; L165-Y200 HydrophobicContact CD2-CD2 4.47Å; L165-Y200 HydrophobicContact CG-CD2 4.39Å; L165-Y200 HydrophobicContact CG-CE2 4.37Å; V166-Y200 VanDerWaalsContact CA-OH 3.26Å; V166-Y200 WeakPolarHBondContact CA-OH 3.24Å; V166-Y200 VanDerWaalsContact CB-OH 3.28Å; V166-Y200 WeakPolarHBondContact CB-OH 3.39Å; V166-Y200 PolarHBondContact N-OH 3Å; C169-Y200 HydrophobicContact CB-CD1 3.87Å; C169-Y200 HydrophobicContact CB-CE1 3.46Å; C169-Y200 VanDerWaalsContact CB-CE1 3.46Å; L181-Y200 HydrophobicContact CD1-CE1 4.18Å; Y185-Y200 WeakPolarHBondContact CE2-OH 3.25Å; V196-Y200 HydrophobicContact CG1-CD1 4.39Å; V196-Y200 HydrophobicContact CG1-CD2 4.46Å; V196-Y200 HydrophobicContact CG1-CE1 3.82Å; V196-Y200 HydrophobicContact CG1-CE2 3.9Å; V196-Y200 PolarHBondContact O-N 3.43Å; K197-Y200 WeakPolarHBondContact O-CB 3.49Å; K197-Y200 PolarHBondContact O-N 2.95Å; K197-Y200 VanDerWaalsContact O-N 3.07Å; Y200-D204 PolarHBondContact O-N 3.21Å; Y200-L205 HydrophobicContact CD1-CD1 3.71Å; Y200-L205 HydrophobicContact CD2-CD1 4.29Å; Y200-L205 HydrophobicContact CE1-CD1 4.36Å; Y200-L205 HydrophobicContact CG-CD1 3.68Å; Y200-L205 WeakPolarHBondContact O-CB 3.4Å; Y200-L205 WeakPolarHBondContact O-CG 3.44Å; Y200-L205 PolarHBondContact O-N 2.9Å
201E98.7Very high98.3Very high101 Ų10152 Ų5247%0.47227%0.273SS..Hα-helixtrans-69-41.5172.7-69.1169.317200111.5F144 K197 A198 L199 L203 D204F144-E201 HydrophobicContact CE1-CG 3.92Å; F144-E201 HydrophobicContact CZ-CG 4.32Å; K197-E201 VanDerWaalsContact CE-OE1 3.22Å; K197-E201 WeakPolarHBondContact CE-OE1 3.49Å; K197-E201 WeakPolarHBondContact O-CG 3.44Å; K197-E201 PolarHBondContact O-N 3Å; A198-E201 PolarHBondContact O-N 3.14Å; L199-E201 VanDerWaalsContact C-N 3.31Å; E201-L203 VanDerWaalsContact C-N 3.27Å; E201-L203 PolarHBondContact O-N 3.13Å; E201-D204 PolarHBondContact O-N 3.44Å
202E98.6Very high98.3Very high114 Ų11448.8 Ų48.853%0.53326%0.256SS..Hα-helixtrans-60-35.9175.1-173.7-172.8151.900112.4Q177 A198 L199 D204Q177-E202 PolarHBondContact NE2-OE1 2.9Å; A198-E202 WeakPolarHBondContact O-CB 3.46Å; A198-E202 PolarHBondContact O-N 3.49Å; L199-E202 PolarHBondContact O-N 3.34Å; E202-D204 VanDerWaalsContact C-N 3.26Å; E202-D204 PolarHBondContact O-N 3.27Å
203L98.6Very high98.3Very high29 Ų2946.9 Ų46.915%0.15225%0.248CC..THydrogen-bonded Turntrans-84.54.7176.1-70.3175.6000113.9C169 R172 L199 E201 L205C169-L203 HydrophobicContact CB-CD1 4.23Å; C169-L203 WeakPolarHBondContact SG-CD1 3.23Å; R172-L203 HydrophobicContact CB-CD2 4.27Å; L199-L203 HydrophobicContact CD1-CD1 4.27Å; L199-L203 HydrophobicContact CD1-CG 4.38Å; L199-L203 HydrophobicContact CG-CD1 4.36Å; L199-L203 WeakPolarHBondContact O-CG 3.26Å; L199-L203 PolarHBondContact O-N 3.35Å; E201-L203 VanDerWaalsContact C-N 3.27Å; E201-L203 PolarHBondContact O-N 3.13Å; L203-L205 HydrophobicContact CB-CD2 4.04Å; L203-L205 HydrophobicContact CB-CG 4.08Å; L203-L205 PolarHBondContact O-N 2.83Å
204D98.4Very high98.3Very high94 Ų9450.1 Ų50.150%0.50326%0.262SS..THydrogen-bonded Turntrans51.836.8-178.6-160.116.8000113.5Y200 E201 E202 P206 A207 V208Y200-D204 PolarHBondContact O-N 3.21Å; E201-D204 PolarHBondContact O-N 3.44Å; E202-D204 VanDerWaalsContact C-N 3.26Å; E202-D204 PolarHBondContact O-N 3.27Å; D204-P206 VanDerWaalsContact C-N 3.25Å; D204-A207 PolarHBondContact O-N 3.23Å; D204-A207 VanDerWaalsContact OD1-CB 3.28Å; D204-A207 WeakPolarHBondContact OD1-CB 3.43Å; D204-A207 WeakPolarHBondContact OD2-CB 3.47Å; D204-V208 WeakPolarHBondContact O-CG2 3.25Å; D204-V208 PolarHBondContact O-N 3.43Å; D204-V208 VanDerWaalsContact O-N 3.08Å
205L98.7Very high98.3Very high0 Ų051.6 Ų51.60%026%0.261CS..Hα-helixtrans-59.2-28.6178.1-60.5-167.5000113.8L165 Q168 C169 Y200 L203 V208 F209L165-L205 HydrophobicContact CD2-CB 4.06Å; L165-L205 HydrophobicContact CD2-CD1 4.11Å; L165-L205 WeakPolarHBondContact O-CD1 3.38Å; Q168-L205 HydrophobicContact CB-CD1 4.44Å; Q168-L205 HydrophobicContact CB-CD2 4.03Å; C169-L205 HydrophobicContact CB-CD1 4.09Å; Y200-L205 HydrophobicContact CD1-CD1 3.71Å; Y200-L205 HydrophobicContact CD2-CD1 4.29Å; Y200-L205 HydrophobicContact CE1-CD1 4.36Å; Y200-L205 HydrophobicContact CG-CD1 3.68Å; Y200-L205 WeakPolarHBondContact O-CB 3.4Å; Y200-L205 WeakPolarHBondContact O-CG 3.44Å; Y200-L205 PolarHBondContact O-N 2.9Å; L203-L205 HydrophobicContact CB-CD2 4.04Å; L203-L205 HydrophobicContact CB-CG 4.08Å; L203-L205 PolarHBondContact O-N 2.83Å; L205-V208 HydrophobicContact CD2-CG2 4.34Å; L205-V208 PolarHBondContact O-N 3.47Å; L205-F209 WeakPolarHBondContact O-CB 3.36Å; L205-F209 PolarHBondContact O-N 3.44Å
206P98.4Very high98.3Very high29 Ų2947.9 Ų47.919%0.18825%0.249CC..Hα-helixtrans-57.7-45.2168.3-27.537.4000113.8Y140 F144 D204 F209 L210Y140-P206 HydrophobicContact CE2-CB 4.39Å; F144-P206 HydrophobicContact CE1-CG 4.16Å; F144-P206 HydrophobicContact CE2-CG 4.32Å; F144-P206 HydrophobicContact CZ-CG 4.01Å; D204-P206 VanDerWaalsContact C-N 3.25Å; P206-F209 PolarHBondContact O-N 2.94Å; P206-L210 WeakPolarHBondContact O-CG 3.19Å; P206-L210 PolarHBondContact O-N 2.95Å
207A98.3Very high98.2Very high40 Ų4050.5 Ų50.533%0.33126%0.259SS..Hα-helixtrans-68-39176.100000111.8D204 F209 L210 Q211D204-A207 PolarHBondContact O-N 3.23Å; D204-A207 VanDerWaalsContact OD1-CB 3.28Å; D204-A207 WeakPolarHBondContact OD1-CB 3.43Å; D204-A207 WeakPolarHBondContact OD2-CB 3.47Å; A207-F209 VanDerWaalsContact C-N 3.26Å; A207-F209 PolarHBondContact O-N 3.08Å; A207-L210 PolarHBondContact O-N 3.33Å; A207-Q211 PolarHBondContact O-N 3.04Å
208V98.5Very high98.2Very high33 Ų3350.6 Ų50.620%0.227%0.269CS..Hα-helixtrans-58-41.2174.3179.10000111.1W164 D204 L205 Y212W164-V208 HydrophobicContact CH2-CB 4.41Å; W164-V208 HydrophobicContact CH2-CG1 3.89Å; W164-V208 HydrophobicContact CZ2-CG1 4.29Å; D204-V208 WeakPolarHBondContact O-CG2 3.25Å; D204-V208 PolarHBondContact O-N 3.43Å; D204-V208 VanDerWaalsContact O-N 3.08Å; L205-V208 HydrophobicContact CD2-CG2 4.34Å; L205-V208 PolarHBondContact O-N 3.47Å; V208-Y212 WeakPolarHBondContact O-CB 3.49Å; V208-Y212 PolarHBondContact O-N 3.44Å
209F98.3Very high98.2Very high10 Ų1053 Ų534%0.04427%0.274CS..Hα-helixtrans-66-44.9176.7169.3-97.4000112.1I136 Q137 Y140 W164 L205 P206 A207 Q211 Y212 E213I136-F209 HydrophobicContact CG2-CD2 4.16Å; I136-F209 HydrophobicContact CG2-CE2 4.16Å; Q137-F209 HydrophobicContact CB-CE2 4.48Å; Q137-F209 HydrophobicContact CB-CZ 4.4Å; Q137-F209 HydrophobicContact CG-CE2 4.07Å; Q137-F209 HydrophobicContact CG-CZ 3.9Å; Y140-F209 AromaticContact CD1-CD1 3.75Å; Y140-F209 HydrophobicContact CD1-CD1 3.75Å; Y140-F209 HydrophobicContact CD1-CD2 4.42Å; Y140-F209 AromaticContact CD1-CE1 3.52Å; Y140-F209 HydrophobicContact CD1-CE1 3.52Å; Y140-F209 HydrophobicContact CD1-CE2 4.22Å; Y140-F209 HydrophobicContact CD1-CG 4.19Å; Y140-F209 AromaticContact CD1-CZ 3.76Å; Y140-F209 HydrophobicContact CD1-CZ 3.76Å; Y140-F209 HydrophobicContact CD2-CB 3.79Å; Y140-F209 AromaticContact CD2-CD1 3.77Å; Y140-F209 HydrophobicContact CD2-CD1 3.77Å; Y140-F209 AromaticContact CD2-CD2 3.99Å; Y140-F209 HydrophobicContact CD2-CD2 3.99Å; Y140-F209 HydrophobicContact CD2-CE1 4.36Å; Y140-F209 AromaticContact CD2-CG 3.55Å; Y140-F209 HydrophobicContact CD2-CG 3.55Å; Y140-F209 AromaticContact CE1-CD1 3.79Å; Y140-F209 HydrophobicContact CE1-CD1 3.79Å; Y140-F209 AromaticContact CE1-CE1 3.74Å; Y140-F209 HydrophobicContact CE1-CE1 3.74Å; Y140-F209 HydrophobicContact CE1-CZ 4.42Å; Y140-F209 HydrophobicContact CE2-CB 3.99Å; Y140-F209 AromaticContact CE2-CD1 3.82Å; Y140-F209 HydrophobicContact CE2-CD1 3.82Å; Y140-F209 AromaticContact CE2-CG 3.95Å; Y140-F209 HydrophobicContact CE2-CG 3.95Å; Y140-F209 HydrophobicContact CG-CB 4.42Å; Y140-F209 AromaticContact CG-CD1 3.74Å; Y140-F209 HydrophobicContact CG-CD1 3.74Å; Y140-F209 AromaticContact CG-CD2 3.78Å; Y140-F209 HydrophobicContact CG-CD2 3.78Å; Y140-F209 AromaticContact CG-CE1 3.86Å; Y140-F209 HydrophobicContact CG-CE1 3.86Å; Y140-F209 AromaticContact CG-CE2 3.9Å; Y140-F209 HydrophobicContact CG-CE2 3.9Å; Y140-F209 AromaticContact CG-CG 3.69Å; Y140-F209 HydrophobicContact CG-CG 3.69Å; Y140-F209 AromaticContact CG-CZ 3.92Å; Y140-F209 HydrophobicContact CG-CZ 3.92Å; Y140-F209 AromaticContact CZ-CD1 3.82Å; W164-F209 HydrophobicContact CH2-CB 3.82Å; W164-F209 HydrophobicContact CH2-CD2 4.48Å; W164-F209 HydrophobicContact CZ3-CB 3.82Å; W164-F209 HydrophobicContact CZ3-CD2 4.31Å; L205-F209 WeakPolarHBondContact O-CB 3.36Å; L205-F209 PolarHBondContact O-N 3.44Å; P206-F209 PolarHBondContact O-N 2.94Å; A207-F209 VanDerWaalsContact C-N 3.26Å; A207-F209 PolarHBondContact O-N 3.08Å; F209-Q211 VanDerWaalsContact C-N 3.3Å; F209-Q211 PolarHBondContact O-N 3.35Å; F209-Y212 PolarHBondContact O-N 2.9Å; F209-E213 WeakPolarHBondContact O-CB 3.39Å; F209-E213 PolarHBondContact O-N 3.35Å
210L97.6Very high98.2Very high91 Ų9153.1 Ų53.148%0.47627%0.274SS..Hα-helixtrans-60.1-41.7178.2-69.8174.3000111.6P206 A207 E213 E214P206-L210 WeakPolarHBondContact O-CG 3.19Å; P206-L210 PolarHBondContact O-N 2.95Å; A207-L210 PolarHBondContact O-N 3.33Å; L210-E213 PolarHBondContact O-N 2.97Å; L210-E214 PolarHBondContact O-N 3.4Å
211Q98.1Very high98.1Very high100 Ų10055.6 Ų55.647%0.46729%0.286SS..Hα-helixtrans-63.4-47.6174-173.961.658.600111.4A207 F209 E213 E214 D215A207-Q211 PolarHBondContact O-N 3.04Å; F209-Q211 VanDerWaalsContact C-N 3.3Å; F209-Q211 PolarHBondContact O-N 3.35Å; Q211-E213 VanDerWaalsContact C-N 3.27Å; Q211-E213 PolarHBondContact O-N 3.49Å; Q211-E214 PolarHBondContact O-N 3.31Å; Q211-D215 PolarHBondContact NE2-OD1 3.38Å; Q211-D215 PolarHBondContact NE2-OD2 3.01Å; Q211-D215 VanDerWaalsContact O-CG 3.27Å; Q211-D215 PolarHBondContact O-N 3.38Å
212Y97.8Very high98.1Very high53 Ų5353.1 Ų53.121%0.20828%0.283CS..Hα-helixtrans-57.9-39.6176.4174.3-94.1000112.2F133 I136 W164 V208 F209 D215 S216F133-Y212 HydrophobicContact CD2-CE1 4Å; I136-Y212 HydrophobicContact CB-CE1 4.02Å; I136-Y212 HydrophobicContact CD1-CD1 4.48Å; I136-Y212 HydrophobicContact CD1-CE1 3.49Å; I136-Y212 VanDerWaalsContact CD1-CE1 3.49Å; I136-Y212 HydrophobicContact CD1-CE2 4.19Å; I136-Y212 WeakPolarHBondContact CD1-OH 3.33Å; I136-Y212 HydrophobicContact CG1-CE1 4.34Å; I136-Y212 HydrophobicContact CG2-CD1 3.83Å; I136-Y212 HydrophobicContact CG2-CE1 3.66Å; W164-Y212 HydrophobicContact CZ2-CG 4.16Å; V208-Y212 WeakPolarHBondContact O-CB 3.49Å; V208-Y212 PolarHBondContact O-N 3.44Å; F209-Y212 PolarHBondContact O-N 2.9Å; Y212-D215 PolarHBondContact O-N 2.96Å; Y212-S216 WeakPolarHBondContact O-CB 3.43Å; Y212-S216 PolarHBondContact O-N 3.41Å
213E97.2Very high98.1Very high11 Ų1148.5 Ų48.55%0.05126%0.262CS..Hα-helixtrans-63.1-42.1177.7170.5166.4-118.100112.1F133 Q137 F209 L210 Q211 Y217 Y244 K245F133-E213 HydrophobicContact CE2-CB 3.96Å; F133-E213 HydrophobicContact CE2-CG 3.8Å; F133-E213 HydrophobicContact CZ-CB 4.46Å; F133-E213 HydrophobicContact CZ-CG 3.79Å; Q137-E213 PolarHBondContact NE2-OE1 3.5Å; F209-E213 WeakPolarHBondContact O-CB 3.39Å; F209-E213 PolarHBondContact O-N 3.35Å; L210-E213 PolarHBondContact O-N 2.97Å; Q211-E213 VanDerWaalsContact C-N 3.27Å; Q211-E213 PolarHBondContact O-N 3.49Å; E213-Y217 WeakPolarHBondContact O-CB 3.24Å; E213-Y217 PolarHBondContact O-N 3.17Å; E213-Y244 HydrophobicContact CG-CD2 3.96Å; E213-Y244 HydrophobicContact CG-CE2 3.67Å; E213-K245 VanDerWaalsContact OE1-CA 3.32Å; E213-K245 WeakPolarHBondContact OE1-CA 3.18Å; E213-K245 PolarHBondContact OE1-N 3.29Å
214E97.3Very high98.1Very high90 Ų9047.4 Ų47.442%0.42126%0.256SS..Hα-helixtrans-68.4-43176.5-68.3-173.3168.900112.5L210 Q211 Y217 S218L210-E214 PolarHBondContact O-N 3.4Å; Q211-E214 PolarHBondContact O-N 3.31Å; E214-Y217 PolarHBondContact O-N 2.92Å; E214-S218 WeakPolarHBondContact O-CB 3.32Å; E214-S218 PolarHBondContact O-N 2.84Å; E214-S218 PolarHBondContact O-OG 2.73Å
215D98.1Very high98.1Very high88 Ų8851 Ų5147%0.47127%0.27SS..Hα-helixtrans-65.2-44.5177.8-66.3-19.1000111.1Q211 Y212 S218 H219Q211-D215 PolarHBondContact NE2-OD1 3.38Å; Q211-D215 PolarHBondContact NE2-OD2 3.01Å; Q211-D215 VanDerWaalsContact O-CG 3.27Å; Q211-D215 PolarHBondContact O-N 3.38Å; Y212-D215 PolarHBondContact O-N 2.96Å; D215-S218 PolarHBondContact O-N 3.32Å; D215-H219 WeakPolarHBondContact O-CB 3.44Å; D215-H219 PolarHBondContact O-N 3Å
216S97.6Very high98.1Very high10 Ų1057 Ų577%0.0730%0.298CS..Hα-helixtrans-64.9-42.4178.9-172.90000111.5F133 Y212 S218 H219 I220F133-S216 WeakPolarHBondContact CB-OG 3.44Å; Y212-S216 WeakPolarHBondContact O-CB 3.43Å; Y212-S216 PolarHBondContact O-N 3.41Å; S216-S218 PolarHBondContact O-N 2.9Å; S216-H219 PolarHBondContact O-N 3.26Å; S216-I220 WeakPolarHBondContact O-CB 3.21Å; S216-I220 WeakPolarHBondContact O-CD1 3.4Å; S216-I220 VanDerWaalsContact O-CG1 3.24Å; S216-I220 WeakPolarHBondContact O-CG1 3.22Å; S216-I220 PolarHBondContact O-N 3.11Å
217Y97.3Very high98.1Very high55 Ų5557.9 Ų57.922%0.21630%0.298CS..Hα-helixtrans-59.9-47.7174-175.5-106.2000111.6E213 E214 H219 I220 M221 A240 Y244E213-Y217 WeakPolarHBondContact O-CB 3.24Å; E213-Y217 PolarHBondContact O-N 3.17Å; E214-Y217 PolarHBondContact O-N 2.92Å; Y217-H219 VanDerWaalsContact C-N 3.31Å; Y217-H219 PolarHBondContact O-N 3.47Å; Y217-I220 PolarHBondContact O-N 3.45Å; Y217-M221 HydrophobicContact CD1-CG 4.24Å; Y217-M221 HydrophobicContact CE1-CE 4.09Å; Y217-M221 HydrophobicContact CE1-CG 3.96Å; Y217-M221 HydrophobicContact CE1-SD 4.41Å; Y217-M221 HydrophobicContact CE2-CG 4.42Å; Y217-M221 HydrophobicContact CE2-SD 4.24Å; Y217-M221 VanDerWaalsContact O-CG 3.24Å; Y217-M221 WeakPolarHBondContact O-CG 3.39Å; Y217-M221 PolarHBondContact O-N 2.96Å; Y217-M221 VanDerWaalsContact OH-CE 3.26Å; Y217-M221 WeakPolarHBondContact OH-CE 3.44Å; Y217-A240 HydrophobicContact CE2-CB 4.35Å; Y217-Y244 HydrophobicContact CD1-CD2 4.45Å; Y217-Y244 HydrophobicContact CD1-CE1 4.36Å; Y217-Y244 HydrophobicContact CD1-CE2 4.19Å; Y217-Y244 AromaticContact CD2-CD1 3.98Å; Y217-Y244 HydrophobicContact CD2-CD1 3.98Å; Y217-Y244 AromaticContact CD2-CD2 3.42Å; Y217-Y244 HydrophobicContact CD2-CD2 3.42Å; Y217-Y244 VanDerWaalsContact CD2-CD2 3.42Å; Y217-Y244 HydrophobicContact CD2-CE1 4.46Å; Y217-Y244 AromaticContact CD2-CE2 3.97Å; Y217-Y244 HydrophobicContact CD2-CE2 3.97Å; Y217-Y244 AromaticContact CD2-CG 3.41Å; Y217-Y244 HydrophobicContact CD2-CG 3.41Å; Y217-Y244 VanDerWaalsContact CD2-CG 3.41Å; Y217-Y244 HydrophobicContact CE1-CE1 4.48Å; Y217-Y244 AromaticContact CE2-CD1 3.95Å; Y217-Y244 HydrophobicContact CE2-CD1 3.95Å; Y217-Y244 HydrophobicContact CE2-CD2 4.22Å; Y217-Y244 AromaticContact CE2-CG 3.73Å; Y217-Y244 HydrophobicContact CE2-CG 3.73Å; Y217-Y244 HydrophobicContact CG-CD1 4.3Å; Y217-Y244 AromaticContact CG-CD2 3.55Å; Y217-Y244 HydrophobicContact CG-CD2 3.55Å; Y217-Y244 HydrophobicContact CG-CE1 4.34Å; Y217-Y244 AromaticContact CG-CE2 3.59Å; Y217-Y244 HydrophobicContact CG-CE2 3.59Å; Y217-Y244 AromaticContact CG-CG 3.91Å; Y217-Y244 HydrophobicContact CG-CG 3.91Å; Y217-Y244 AromaticContact CG-CZ 3.99Å
218S98.2Very high98.1Very high74 Ų7456.1 Ų56.152%0.51728%0.283SS..Hα-helixtrans-60-42.4177.7-57.50000111.7E214 D215 S216 M221 A222E214-S218 WeakPolarHBondContact O-CB 3.32Å; E214-S218 PolarHBondContact O-N 2.84Å; E214-S218 PolarHBondContact O-OG 2.73Å; D215-S218 PolarHBondContact O-N 3.32Å; S216-S218 PolarHBondContact O-N 2.9Å; S218-M221 PolarHBondContact O-N 2.84Å; S218-A222 PolarHBondContact O-N 3.13Å; S218-A222 VanDerWaalsContact O-N 3.1Å
219H98.5Very high97.9Very high90 Ų9058 Ų5842%0.41730%0.302SS..Hα-helixtrans-62.1-46.9175.8-178.254.1000112.4D215 S216 Y217 M221 A222 L223D215-H219 WeakPolarHBondContact O-CB 3.44Å; D215-H219 PolarHBondContact O-N 3Å; S216-H219 PolarHBondContact O-N 3.26Å; Y217-H219 VanDerWaalsContact C-N 3.31Å; Y217-H219 PolarHBondContact O-N 3.47Å; H219-M221 VanDerWaalsContact C-N 3.3Å; H219-M221 PolarHBondContact O-N 3.37Å; H219-A222 PolarHBondContact O-N 3.06Å; H219-L223 WeakPolarHBondContact O-CG 3.48Å; H219-L223 PolarHBondContact O-N 3.13Å
220I98.6Very high97.7Very high2 Ų262.3 Ų62.31%0.0133%0.331CS..Hα-helixtrans-60.4-41.4177.7-71.8162.9000110.7M130 F133 S216 Y217 L223 I224M130-I220 HydrophobicContact CE-CG2 3.41Å; M130-I220 VanDerWaalsContact CE-CG2 3.41Å; M130-I220 HydrophobicContact CG-CD1 4.09Å; M130-I220 HydrophobicContact CG-CG1 4.32Å; M130-I220 HydrophobicContact CG-CG2 3.9Å; F133-I220 HydrophobicContact CB-CD1 4.16Å; F133-I220 HydrophobicContact CD1-CD1 4.14Å; F133-I220 HydrophobicContact CG-CD1 4.34Å; S216-I220 WeakPolarHBondContact O-CB 3.21Å; S216-I220 WeakPolarHBondContact O-CD1 3.4Å; S216-I220 VanDerWaalsContact O-CG1 3.24Å; S216-I220 WeakPolarHBondContact O-CG1 3.22Å; S216-I220 PolarHBondContact O-N 3.11Å; Y217-I220 PolarHBondContact O-N 3.45Å; I220-L223 PolarHBondContact O-N 3.47Å; I220-I224 HydrophobicContact CG2-CD1 4.05Å; I220-I224 VanDerWaalsContact O-CG1 3.3Å; I220-I224 WeakPolarHBondContact O-CG1 3.36Å; I220-I224 PolarHBondContact O-N 3.4Å
221M98.4Very high97.7Very high53 Ų5358.9 Ų58.926%0.26131%0.313SS..Hα-helixtrans-62.9-43177.2-64.2-63.9-104.300111.6Y217 S218 H219 L223 I224 E225 L237Y217-M221 HydrophobicContact CD1-CG 4.24Å; Y217-M221 HydrophobicContact CE1-CE 4.09Å; Y217-M221 HydrophobicContact CE1-CG 3.96Å; Y217-M221 HydrophobicContact CE1-SD 4.41Å; Y217-M221 HydrophobicContact CE2-CG 4.42Å; Y217-M221 HydrophobicContact CE2-SD 4.24Å; Y217-M221 VanDerWaalsContact O-CG 3.24Å; Y217-M221 WeakPolarHBondContact O-CG 3.39Å; Y217-M221 PolarHBondContact O-N 2.96Å; Y217-M221 VanDerWaalsContact OH-CE 3.26Å; Y217-M221 WeakPolarHBondContact OH-CE 3.44Å; S218-M221 PolarHBondContact O-N 2.84Å; H219-M221 VanDerWaalsContact C-N 3.3Å; H219-M221 PolarHBondContact O-N 3.37Å; M221-L223 VanDerWaalsContact C-N 3.33Å; M221-L223 PolarHBondContact O-N 2.9Å; M221-I224 WeakPolarHBondContact O-CB 3.45Å; M221-I224 PolarHBondContact O-N 3.1Å; M221-I224 HydrophobicContact SD-CD1 4.28Å; M221-E225 PolarHBondContact O-N 2.98Å; M221-L237 HydrophobicContact CE-CD2 3.73Å; M221-L237 HydrophobicContact SD-CD2 3.55Å; M221-L237 VanDerWaalsContact SD-CD2 3.55Å
222A98.6Very high97.6Very high49 Ų4958 Ų5841%0.40532%0.316SS..Hα-helixtrans-62.3-38.8174.600000112.4S218 H219 I224 E225 Q226S218-A222 PolarHBondContact O-N 3.13Å; S218-A222 VanDerWaalsContact O-N 3.1Å; H219-A222 PolarHBondContact O-N 3.06Å; A222-I224 VanDerWaalsContact C-N 3.35Å; A222-E225 PolarHBondContact O-N 3.41Å; A222-Q226 WeakPolarHBondContact O-CB 3.27Å; A222-Q226 PolarHBondContact O-N 3.12Å
223L98.6Very high97.5Very high17 Ų1758.5 Ų58.59%0.08933%0.326CS..Hα-helixtrans-65.6-37174.4-69.8174.9000112.5I126 E129 H219 I220 M221 Q226 Y227I126-L223 HydrophobicContact CG1-CB 4.07Å; E129-L223 HydrophobicContact CB-CD1 4Å; E129-L223 HydrophobicContact CG-CD1 3.67Å; H219-L223 WeakPolarHBondContact O-CG 3.48Å; H219-L223 PolarHBondContact O-N 3.13Å; I220-L223 PolarHBondContact O-N 3.47Å; M221-L223 VanDerWaalsContact C-N 3.33Å; M221-L223 PolarHBondContact O-N 2.9Å; L223-Q226 PolarHBondContact O-N 2.94Å; L223-Y227 HydrophobicContact CB-CD2 4.39Å; L223-Y227 HydrophobicContact CD2-CD2 3.81Å; L223-Y227 HydrophobicContact CD2-CE2 3.58Å; L223-Y227 WeakPolarHBondContact O-CB 3.25Å; L223-Y227 WeakPolarHBondContact O-CD2 3.21Å; L223-Y227 PolarHBondContact O-N 3.34Å
224I98.5Very high97.5Very high6 Ų661.3 Ų61.33%0.03135%0.351CS..Hα-helixtrans-62.4-46.5174.6-68.8168.6000109.8I126 M130 I220 M221 A222 Q226 A228 P233 F236 L237I126-I224 HydrophobicContact CD1-CG1 4.39Å; I126-I224 HydrophobicContact CG2-CG1 3.86Å; M130-I224 HydrophobicContact CE-CD1 3.86Å; M130-I224 HydrophobicContact CE-CG1 4.42Å; I220-I224 HydrophobicContact CG2-CD1 4.05Å; I220-I224 VanDerWaalsContact O-CG1 3.3Å; I220-I224 WeakPolarHBondContact O-CG1 3.36Å; I220-I224 PolarHBondContact O-N 3.4Å; M221-I224 WeakPolarHBondContact O-CB 3.45Å; M221-I224 PolarHBondContact O-N 3.1Å; M221-I224 HydrophobicContact SD-CD1 4.28Å; A222-I224 VanDerWaalsContact C-N 3.35Å; I224-Q226 VanDerWaalsContact C-N 3.27Å; I224-Q226 PolarHBondContact O-N 3.18Å; I224-A228 HydrophobicContact CG2-CB 4.1Å; I224-A228 WeakPolarHBondContact O-CB 3.45Å; I224-A228 PolarHBondContact O-N 3.47Å; I224-P233 HydrophobicContact CG2-CB 3.99Å; I224-F236 HydrophobicContact CD1-CB 3.67Å; I224-F236 HydrophobicContact CG1-CB 3.66Å; I224-F236 HydrophobicContact CG1-CG 4.4Å; I224-F236 HydrophobicContact CG2-CB 4.35Å; I224-L237 HydrophobicContact CD1-CD2 3.96Å; I224-L237 HydrophobicContact CD1-CG 4.44Å; I224-L237 HydrophobicContact CG2-CD2 4.4Å; I224-L237 HydrophobicContact CG2-CG 4.37Å
225E98.1Very high97.5Very high169 Ų16960 Ų6079%0.7935%0.349SS*.Hα-helixtrans-58.8-40.2176-69.9175.4179.700111.9M221 A222M221-E225 PolarHBondContact O-N 2.98Å; A222-E225 PolarHBondContact O-N 3.41Å
226Q98.3Very high97.5Very high127 Ų12755.9 Ų55.959%0.59333%0.327SS*.Hα-helixtrans-77.2-39.4-177-171.9176.213.400114A222 L223 I224A222-Q226 WeakPolarHBondContact O-CB 3.27Å; A222-Q226 PolarHBondContact O-N 3.12Å; L223-Q226 PolarHBondContact O-N 2.94Å; I224-Q226 VanDerWaalsContact C-N 3.27Å; I224-Q226 PolarHBondContact O-N 3.18Å
227Y98.4Very high97.5Very high48 Ų4857.6 Ų57.619%0.18834%0.335CS..Hα-helixtrans-120.5-8-164.6-64-67000115.2N122 K125 L223 A229N122-Y227 HydrophobicContact CB-CD1 4.44Å; K125-Y227 HydrophobicContact CB-CD2 4.35Å; K125-Y227 HydrophobicContact CD-CD1 3.91Å; K125-Y227 HydrophobicContact CD-CD2 4.19Å; K125-Y227 HydrophobicContact CD-CE1 3.56Å; K125-Y227 HydrophobicContact CD-CE2 3.85Å; K125-Y227 HydrophobicContact CD-CG 4.19Å; K125-Y227 VanDerWaalsContact CD-CZ 3.49Å; K125-Y227 PolarHBondContact NZ-OH 2.95Å; L223-Y227 HydrophobicContact CB-CD2 4.39Å; L223-Y227 HydrophobicContact CD2-CD2 3.81Å; L223-Y227 HydrophobicContact CD2-CE2 3.58Å; L223-Y227 WeakPolarHBondContact O-CB 3.25Å; L223-Y227 WeakPolarHBondContact O-CD2 3.21Å; L223-Y227 PolarHBondContact O-N 3.34Å; Y227-A229 VanDerWaalsContact C-N 3.35Å; Y227-A229 PolarHBondContact O-N 3.3Å
228A97.5Very high97.4Very high2 Ų256.4 Ų56.42%0.01734%0.34CS..  trans-64.3-39.8-177.800000112.3I224 L231 P233 F236I224-A228 HydrophobicContact CG2-CB 4.1Å; I224-A228 WeakPolarHBondContact O-CB 3.45Å; I224-A228 PolarHBondContact O-N 3.47Å; A228-L231 CarbonylContact C-O 3.6Å; A228-L231 WeakPolarHBondContact O-CA 3.49Å; A228-L231 VanDerWaalsContact O-CB 3.23Å; A228-L231 WeakPolarHBondContact O-CB 3.16Å; A228-L231 PolarHBondContact O-N 2.81Å; A228-L231 VanDerWaalsContact O-O 3.13Å; A228-P233 HydrophobicContact CB-CB 4.19Å; A228-P233 HydrophobicContact CB-CG 4.04Å; A228-F236 HydrophobicContact CB-CD2 3.83Å; A228-F236 HydrophobicContact CB-CE2 3.88Å
229A95.2Very high97.3Very high72 Ų7254.6 Ų54.660%0.59532%0.324SS*.THydrogen-bonded Turntrans-61.5135.2-177.200000112.1Y227Y227-A229 VanDerWaalsContact C-N 3.35Å; Y227-A229 PolarHBondContact O-N 3.3Å
230P94.3Very high97.2Very high101 Ų10150.4 Ų50.466%0.65631%0.305SS*.THydrogen-bonded Turncis-89.521036.2-36.8000115.3E119E119-P230 HydrophobicContact CG-CG 4.24Å
231L96.4Very high96.9Very high20 Ų2059.2 Ų59.211%0.10534%0.338CS..SBendtrans-68.7148.1178.3-55.7174000110.9M109 I114 A123 A228 P233 F236M109-L231 HydrophobicContact CE-CD1 3.9Å; M109-L231 HydrophobicContact CG-CD1 4.42Å; M109-L231 HydrophobicContact SD-CD1 3.86Å; I114-L231 HydrophobicContact CD1-CD2 3.6Å; A123-L231 HydrophobicContact CB-CD1 4.33Å; A228-L231 CarbonylContact C-O 3.6Å; A228-L231 WeakPolarHBondContact O-CA 3.49Å; A228-L231 VanDerWaalsContact O-CB 3.23Å; A228-L231 WeakPolarHBondContact O-CB 3.16Å; A228-L231 PolarHBondContact O-N 2.81Å; A228-L231 VanDerWaalsContact O-O 3.13Å; L231-P233 VanDerWaalsContact O-CD 3.31Å; L231-P233 WeakPolarHBondContact O-CD 3.31Å; L231-F236 HydrophobicContact CB-CE2 4.22Å; L231-F236 HydrophobicContact CD1-CE2 4.18Å; L231-F236 HydrophobicContact CD1-CZ 3.88Å
232P96.2Very high96.7Very high80 Ų8064.6 Ų64.652%0.51936%0.36SS..  trans-59.8122.5174.1-2233000110.8A234 V235P232-A234 PolarHBondContact O-N 3.34Å; P232-V235 HydrophobicContact CB-CG2 4.49Å; P232-V235 WeakPolarHBondContact O-CB 3.45Å; P232-V235 PolarHBondContact O-N 2.99Å
233P97.1Very high96.4Very high65 Ų6562.7 Ų62.742%0.42234%0.343SS..THydrogen-bonded Turntrans-56-25.9178.7-27.335.1000113.4I224 A228 L231 V235 F236 L237I224-P233 HydrophobicContact CG2-CB 3.99Å; A228-P233 HydrophobicContact CB-CB 4.19Å; A228-P233 HydrophobicContact CB-CG 4.04Å; L231-P233 VanDerWaalsContact O-CD 3.31Å; L231-P233 WeakPolarHBondContact O-CD 3.31Å; P233-V235 PolarHBondContact O-N 3.38Å; P233-V235 VanDerWaalsContact O-N 3.15Å; P233-F236 PolarHBondContact O-N 3.41Å; P233-L237 HydrophobicContact CB-CD1 4.26Å; P233-L237 WeakPolarHBondContact O-CG 3.14Å; P233-L237 PolarHBondContact O-N 2.91Å
234A97.3Very high96.1Very high70 Ų7064.2 Ų64.258%0.57935%0.348SS*.Hα-helixtrans-54.3-29.717600000113.9P232 G238P232-A234 PolarHBondContact O-N 3.34Å; A234-G238 PolarHBondContact O-N 3.24Å
235V96.8Very high95.5Very high63 Ų6369.1 Ų69.138%0.38237%0.369SS..Hα-helixtrans-59.7-50.4175.21750000110.3I105 P232 P233 L239I105-V235 HydrophobicContact CD1-CG1 3.82Å; I105-V235 HydrophobicContact CG2-CG1 4.33Å; P232-V235 HydrophobicContact CB-CG2 4.49Å; P232-V235 WeakPolarHBondContact O-CB 3.45Å; P232-V235 PolarHBondContact O-N 2.99Å; P233-V235 PolarHBondContact O-N 3.38Å; P233-V235 VanDerWaalsContact O-N 3.15Å; V235-L239 PolarHBondContact O-N 3.27Å
236F98.1Very high94.8Very high0 Ų062.6 Ų62.60%034%0.337CS..Hα-helixtrans-76.5-40.6-178.8-55.1-73.8000112I105 A123 I126 L127 M130 I224 A228 L231 P233 G238 L239 A240I105-F236 HydrophobicContact CG2-CE1 4.48Å; A123-F236 HydrophobicContact CB-CE1 4.16Å; A123-F236 HydrophobicContact CB-CZ 3.95Å; I126-F236 HydrophobicContact CB-CD1 4.27Å; I126-F236 HydrophobicContact CB-CE1 4.41Å; I126-F236 HydrophobicContact CD1-CD1 4.11Å; I126-F236 HydrophobicContact CD1-CD2 4.06Å; I126-F236 HydrophobicContact CD1-CE1 4.06Å; I126-F236 HydrophobicContact CD1-CE2 4.02Å; I126-F236 HydrophobicContact CD1-CG 4.11Å; I126-F236 HydrophobicContact CD1-CZ 4.01Å; I126-F236 HydrophobicContact CG2-CB 4.36Å; I126-F236 HydrophobicContact CG2-CD1 3.85Å; I126-F236 HydrophobicContact CG2-CE1 4.47Å; I126-F236 HydrophobicContact CG2-CG 4.24Å; L127-F236 HydrophobicContact CD1-CE1 4.15Å; L127-F236 HydrophobicContact CD2-CD1 4.03Å; L127-F236 HydrophobicContact CD2-CE1 4.13Å; L127-F236 HydrophobicContact CG-CD1 4.33Å; L127-F236 HydrophobicContact CG-CE1 4.02Å; M130-F236 HydrophobicContact CE-CB 4.1Å; M130-F236 WeakPolarHBondContact CE-O 3.49Å; I224-F236 HydrophobicContact CD1-CB 3.67Å; I224-F236 HydrophobicContact CG1-CB 3.66Å; I224-F236 HydrophobicContact CG1-CG 4.4Å; I224-F236 HydrophobicContact CG2-CB 4.35Å; A228-F236 HydrophobicContact CB-CD2 3.83Å; A228-F236 HydrophobicContact CB-CE2 3.88Å; L231-F236 HydrophobicContact CB-CE2 4.22Å; L231-F236 HydrophobicContact CD1-CE2 4.18Å; L231-F236 HydrophobicContact CD1-CZ 3.88Å; P233-F236 PolarHBondContact O-N 3.41Å; F236-G238 VanDerWaalsContact C-N 3.3Å; F236-G238 PolarHBondContact O-N 3.02Å; F236-L239 PolarHBondContact O-N 2.93Å; F236-L239 VanDerWaalsContact O-N 3.1Å; F236-A240 PolarHBondContact O-N 3.45Å
237L97.4Very high93.5Very high47 Ų4766.6 Ų66.625%0.24635%0.347CS..Hα-helixtrans-61.7-38.4177.4-67.6172.1000112.1M221 I224 P233 L239 A240 R241M221-L237 HydrophobicContact CE-CD2 3.73Å; M221-L237 HydrophobicContact SD-CD2 3.55Å; M221-L237 VanDerWaalsContact SD-CD2 3.55Å; I224-L237 HydrophobicContact CD1-CD2 3.96Å; I224-L237 HydrophobicContact CD1-CG 4.44Å; I224-L237 HydrophobicContact CG2-CD2 4.4Å; I224-L237 HydrophobicContact CG2-CG 4.37Å; P233-L237 HydrophobicContact CB-CD1 4.26Å; P233-L237 WeakPolarHBondContact O-CG 3.14Å; P233-L237 PolarHBondContact O-N 2.91Å; L237-L239 VanDerWaalsContact C-N 3.29Å; L237-L239 PolarHBondContact O-N 3Å; L237-A240 PolarHBondContact O-N 3.12Å; L237-R241 WeakPolarHBondContact O-CG 3.23Å; L237-R241 PolarHBondContact O-N 3.44Å
238G95.6Very high91.5Very high30 Ų3073 Ų7331%0.30938%0.375SS..Hα-helixtrans-62.2-37.117500000112.4A234 F236 K242A234-G238 PolarHBondContact O-N 3.24Å; F236-G238 VanDerWaalsContact C-N 3.3Å; F236-G238 PolarHBondContact O-N 3.02Å; G238-K242 WeakPolarHBondContact O-CG 3.14Å
239L95.3Very high91.2Very high35 Ų3576.6 Ų76.618%0.18339%0.393CS..Hα-helixtrans-73.4-44.7176.3-168.355.7000111.7F101 L127 M130 V235 F236 L237 R241 K242 I243F101-L239 HydrophobicContact CD1-CD1 4.47Å; F101-L239 HydrophobicContact CD1-CD2 3.55Å; F101-L239 HydrophobicContact CD1-CG 4.02Å; F101-L239 HydrophobicContact CE1-CD1 4.24Å; F101-L239 HydrophobicContact CE1-CD2 4.06Å; F101-L239 HydrophobicContact CE1-CG 4.01Å; L127-L239 HydrophobicContact CD2-CD2 3.77Å; M130-L239 HydrophobicContact SD-CB 4.35Å; M130-L239 HydrophobicContact SD-CD2 3.99Å; M130-L239 HydrophobicContact SD-CG 4.16Å; V235-L239 PolarHBondContact O-N 3.27Å; F236-L239 PolarHBondContact O-N 2.93Å; F236-L239 VanDerWaalsContact O-N 3.1Å; L237-L239 VanDerWaalsContact C-N 3.29Å; L237-L239 PolarHBondContact O-N 3Å; L239-R241 VanDerWaalsContact C-N 3.29Å; L239-R241 PolarHBondContact O-N 3.01Å; L239-K242 WeakPolarHBondContact O-CB 3.36Å; L239-K242 PolarHBondContact O-N 3.41Å; L239-I243 PolarHBondContact O-N 2.94Å
240A95.6Very high91Very high2 Ų276.8 Ų76.82%0.01738%0.383CS..Hα-helixtrans-54.8-44.2175.900000111.9M130 Y217 F236 L237 K242 I243 Y244M130-A240 HydrophobicContact CE-CB 3.99Å; Y217-A240 HydrophobicContact CE2-CB 4.35Å; F236-A240 PolarHBondContact O-N 3.45Å; L237-A240 PolarHBondContact O-N 3.12Å; A240-K242 VanDerWaalsContact C-N 3.26Å; A240-K242 PolarHBondContact O-N 3.04Å; A240-I243 WeakPolarHBondContact O-CG1 3.23Å; A240-I243 PolarHBondContact O-N 3.3Å; A240-Y244 VanDerWaalsContact O-CB 3.31Å; A240-Y244 WeakPolarHBondContact O-CB 3.31Å; A240-Y244 PolarHBondContact O-N 3.47Å
241R94Very high90.8Very high188 Ų18875.5 Ų75.571%0.70937%0.368SS*.Hα-helixtrans-63.1-28.8177-74.1176-169.9157.43.7114L237 L239 I243L237-R241 WeakPolarHBondContact O-CG 3.23Å; L237-R241 PolarHBondContact O-N 3.44Å; L239-R241 VanDerWaalsContact C-N 3.29Å; L239-R241 PolarHBondContact O-N 3.01Å; R241-I243 VanDerWaalsContact C-N 3.35Å
242K93.2Very high90.5Very high166 Ų16678.8 Ų78.872%0.72238%0.383SS*.Hα-helixtrans-76.3-26.1178.7-73.3178.5177.8-174.40112.4G238 L239 A240G238-K242 WeakPolarHBondContact O-CG 3.14Å; L239-K242 WeakPolarHBondContact O-CB 3.36Å; L239-K242 PolarHBondContact O-N 3.41Å; A240-K242 VanDerWaalsContact C-N 3.26Å; A240-K242 PolarHBondContact O-N 3.04Å
243I93.3Very high90.2Very high8 Ų878.7 Ų78.74%0.04138%0.375CS..Hα-helixtrans-103.9-33.2-174.466.7176.2000112.9F101 M130 F133 F134 Q137 L239 A240 R241 K245 R246F101-I243 HydrophobicContact CE1-CD1 3.83Å; F101-I243 HydrophobicContact CE1-CG2 4Å; F101-I243 HydrophobicContact CZ-CD1 4.23Å; F101-I243 HydrophobicContact CZ-CG2 3.98Å; M130-I243 HydrophobicContact CB-CD1 3.95Å; M130-I243 HydrophobicContact CG-CD1 4.19Å; F133-I243 HydrophobicContact CD1-CD1 3.8Å; F133-I243 HydrophobicContact CD1-CG1 4.13Å; F133-I243 HydrophobicContact CE1-CD1 4.23Å; F133-I243 HydrophobicContact CE1-CG1 4.03Å; F134-I243 HydrophobicContact CD2-CB 4.28Å; F134-I243 HydrophobicContact CD2-CG2 3.77Å; F134-I243 HydrophobicContact CE2-CG2 4.28Å; Q137-I243 PolarHBondContact NE2-O 2.84Å; Q137-I243 PolarHBondContact OE1-O 3.33Å; Q137-I243 VanDerWaalsContact OE1-O 3.07Å; L239-I243 PolarHBondContact O-N 2.94Å; A240-I243 WeakPolarHBondContact O-CG1 3.23Å; A240-I243 PolarHBondContact O-N 3.3Å; R241-I243 VanDerWaalsContact C-N 3.35Å; I243-K245 PolarHBondContact O-N 3.29Å; I243-R246 VanDerWaalsContact O-CB 3.3Å; I243-R246 WeakPolarHBondContact O-CB 3.3Å; I243-R246 WeakPolarHBondContact O-CG 3.25Å; I243-R246 PolarHBondContact O-N 3.49Å
244Y90.6Very high89.7Confident50 Ų5079.6 Ų79.620%0.19637%0.371CS..THydrogen-bonded Turntrans-65.5128.3-179.6-178.4-116.8000111.6F133 E213 Y217 A240 R246F133-Y244 HydrophobicContact CZ-CD2 4.26Å; E213-Y244 HydrophobicContact CG-CD2 3.96Å; E213-Y244 HydrophobicContact CG-CE2 3.67Å; Y217-Y244 HydrophobicContact CD1-CD2 4.45Å; Y217-Y244 HydrophobicContact CD1-CE1 4.36Å; Y217-Y244 HydrophobicContact CD1-CE2 4.19Å; Y217-Y244 AromaticContact CD2-CD1 3.98Å; Y217-Y244 HydrophobicContact CD2-CD1 3.98Å; Y217-Y244 AromaticContact CD2-CD2 3.42Å; Y217-Y244 HydrophobicContact CD2-CD2 3.42Å; Y217-Y244 VanDerWaalsContact CD2-CD2 3.42Å; Y217-Y244 HydrophobicContact CD2-CE1 4.46Å; Y217-Y244 AromaticContact CD2-CE2 3.97Å; Y217-Y244 HydrophobicContact CD2-CE2 3.97Å; Y217-Y244 AromaticContact CD2-CG 3.41Å; Y217-Y244 HydrophobicContact CD2-CG 3.41Å; Y217-Y244 VanDerWaalsContact CD2-CG 3.41Å; Y217-Y244 HydrophobicContact CE1-CE1 4.48Å; Y217-Y244 AromaticContact CE2-CD1 3.95Å; Y217-Y244 HydrophobicContact CE2-CD1 3.95Å; Y217-Y244 HydrophobicContact CE2-CD2 4.22Å; Y217-Y244 AromaticContact CE2-CG 3.73Å; Y217-Y244 HydrophobicContact CE2-CG 3.73Å; Y217-Y244 HydrophobicContact CG-CD1 4.3Å; Y217-Y244 AromaticContact CG-CD2 3.55Å; Y217-Y244 HydrophobicContact CG-CD2 3.55Å; Y217-Y244 HydrophobicContact CG-CE1 4.34Å; Y217-Y244 AromaticContact CG-CE2 3.59Å; Y217-Y244 HydrophobicContact CG-CE2 3.59Å; Y217-Y244 AromaticContact CG-CG 3.91Å; Y217-Y244 HydrophobicContact CG-CG 3.91Å; Y217-Y244 AromaticContact CG-CZ 3.99Å; A240-Y244 VanDerWaalsContact O-CB 3.31Å; A240-Y244 WeakPolarHBondContact O-CB 3.31Å; A240-Y244 PolarHBondContact O-N 3.47Å; Y244-R246 PolarHBondContact O-N 3Å; Y244-R246 VanDerWaalsContact O-N 3.12Å
245K87.2Confident89.1Confident109 Ų10980.3 Ų80.347%0.47436%0.357SS..THydrogen-bonded Turntrans54.128.1-176.6-65.9-177.7169.51700113.2E213 I243 R247E213-K245 VanDerWaalsContact OE1-CA 3.32Å; E213-K245 WeakPolarHBondContact OE1-CA 3.18Å; E213-K245 PolarHBondContact OE1-N 3.29Å; I243-K245 PolarHBondContact O-N 3.29Å; K245-R247 PolarHBondContact O-N 3.19Å
246R83.4Confident88.6Confident31 Ų3181.6 Ų81.612%0.11736%0.355CS..  trans-63.3134.8177.574.9-171.4180116.9-6.5109F134 Q137 I243 Y244 K248F134-R246 VanDerWaalsContact CZ-NH1 3.33Å; F134-R246 PolarHBondContact O-NH2 2.84Å; Q137-R246 VanDerWaalsContact OE1-CD 3.27Å; I243-R246 VanDerWaalsContact O-CB 3.3Å; I243-R246 WeakPolarHBondContact O-CB 3.3Å; I243-R246 WeakPolarHBondContact O-CG 3.25Å; I243-R246 PolarHBondContact O-N 3.49Å; Y244-R246 PolarHBondContact O-N 3Å; Y244-R246 VanDerWaalsContact O-N 3.12Å; R246-K248 VanDerWaalsContact C-N 3.33Å; R246-K248 WeakPolarHBondContact CB-O 3.3Å; R246-K248 WeakPolarHBondContact CD-O 3.48Å; R246-K248 WeakPolarHBondContact CG-O 3.36Å; R246-K248 PolarHBondContact NH1-O 3.06Å; R246-K248 PolarHBondContact NH1-OXT 3.3Å
247R71.3Confident87.8Confident212 Ų21288.4 Ų88.480%0.838%0.384SS*.  trans-93.30170.7-61.1-175.1179.5-173.8-1.8111.7V149 K245V149-R247 HydrophobicContact CG1-CB 4.41Å; V149-R247 WeakPolarHBondContact CG1-O 3.38Å; K245-R247 PolarHBondContact O-N 3.19Å
248K56.3Low86.9Confident183 Ų18392.2 Ų92.280%0.79640%0.397SS*.  trans-149.10-176-172.8175.7-178.1175.20111.4R246R246-K248 VanDerWaalsContact C-N 3.33Å; R246-K248 WeakPolarHBondContact CB-O 3.3Å; R246-K248 WeakPolarHBondContact CD-O 3.48Å; R246-K248 WeakPolarHBondContact CG-O 3.36Å; R246-K248 PolarHBondContact NH1-O 3.06Å; R246-K248 PolarHBondContact NH1-OXT 3.3Å

Retrieved 248 of 248 residues in 627.9 ms (Link to these results)

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