G4V848_SCHMA Loading...

Mps one binder kinase activator-like 2 (Mob1 homolog 2) (Protein mob3)

AlphaFold DB , UniProt , Accession G4V848, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 217 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
1M41.9Very low50.1Low231 Ų23182.8 Ų82.8100%1.13844%0.438SS*.  0-20.20-63.9-170.6-152.700114.6F3M1-F3 PolarHBondContact O-N 3.27Å
2A49.4Very low50.2Low48 Ų4892.2 Ų92.240%0.39747%0.472SS..Hα-helixtrans-69.5-20.6-172.900000116.3H182A2-H182 PolarHBondContact O-CD2 3.22Å
3F46.5Very low50.6Low40 Ų4088.8 Ų88.818%0.17545%0.454CS..Hα-helixtrans-78.9-36.8-172.3-126.5-86.9000114.2M1 G5 F6 L39 T185M1-F3 PolarHBondContact O-N 3.27Å; F3-G5 VanDerWaalsContact C-N 3.29Å; F3-G5 PolarHBondContact O-N 3.39Å; F3-F6 VanDerWaalsContact O-CB 3.22Å; F3-F6 WeakPolarHBondContact O-CB 3.18Å; F3-F6 PolarHBondContact O-N 3.05Å; F3-F6 VanDerWaalsContact O-N 3.16Å; F3-L39 HydrophobicContact CD1-CB 4.43Å; F3-L39 HydrophobicContact CD2-CB 4.2Å; F3-L39 HydrophobicContact CE1-CB 4.16Å; F3-L39 HydrophobicContact CE1-CD1 4.31Å; F3-L39 HydrophobicContact CE2-CB 3.92Å; F3-L39 HydrophobicContact CE2-CD1 4.31Å; F3-L39 HydrophobicContact CE2-CD2 4.06Å; F3-L39 HydrophobicContact CE2-CG 4.32Å; F3-L39 HydrophobicContact CG-CB 4.44Å; F3-L39 HydrophobicContact CZ-CB 3.9Å; F3-L39 HydrophobicContact CZ-CD1 3.74Å; F3-L39 HydrophobicContact CZ-CD2 4.33Å; F3-L39 HydrophobicContact CZ-CG 4.21Å; F3-T185 HydrophobicContact CD2-CG2 4.08Å; F3-T185 HydrophobicContact CE2-CG2 4.01Å
4N47.2Very low51.6Low121 Ų12196.1 Ų96.165%0.64748%0.481SS*.Hα-helixtrans-64.2-36.3177.5-79.6-2.3000111.6F6N4-F6 VanDerWaalsContact C-N 3.27Å; N4-F6 PolarHBondContact O-N 3.39Å
5G47.9Very low53.1Low19 Ų1993.1 Ų93.120%0.19647%0.469CS..Hα-helixtrans-68.3-23176.100000114.3F3 K7 E8 I9 H182F3-G5 VanDerWaalsContact C-N 3.29Å; F3-G5 PolarHBondContact O-N 3.39Å; G5-K7 PolarHBondContact O-N 2.73Å; G5-E8 PolarHBondContact O-N 3.43Å; G5-I9 PolarHBondContact O-N 3.44Å; G5-H182 VanDerWaalsContact C-NE2 3.33Å
6F51.5Low55Low13 Ų1390.9 Ų90.96%0.05746%0.456CS..Hα-helixtrans-57.8-51.4178.1-166.9-88.7000109.9F3 N4 E8 F10 R71 L74 H182 C186F3-F6 VanDerWaalsContact O-CB 3.22Å; F3-F6 WeakPolarHBondContact O-CB 3.18Å; F3-F6 PolarHBondContact O-N 3.05Å; F3-F6 VanDerWaalsContact O-N 3.16Å; N4-F6 VanDerWaalsContact C-N 3.27Å; N4-F6 PolarHBondContact O-N 3.39Å; F6-E8 PolarHBondContact O-N 2.8Å; F6-F10 AromaticContact CD1-CD2 3.8Å; F6-F10 HydrophobicContact CD1-CD2 3.8Å; F6-F10 HydrophobicContact CD1-CE2 4.17Å; F6-F10 HydrophobicContact CD2-CD2 4.03Å; F6-F10 AromaticContact CD2-CE2 3.57Å; F6-F10 HydrophobicContact CD2-CE2 3.57Å; F6-F10 AromaticContact CE1-CD2 3.81Å; F6-F10 HydrophobicContact CE1-CD2 3.81Å; F6-F10 HydrophobicContact CE1-CE2 4.06Å; F6-F10 HydrophobicContact CE2-CD2 4.01Å; F6-F10 AromaticContact CE2-CE2 3.41Å; F6-F10 HydrophobicContact CE2-CE2 3.41Å; F6-F10 VanDerWaalsContact CE2-CE2 3.41Å; F6-F10 HydrophobicContact CE2-CZ 4.35Å; F6-F10 AromaticContact CG-CD2 3.9Å; F6-F10 HydrophobicContact CG-CD2 3.9Å; F6-F10 AromaticContact CG-CE2 3.93Å; F6-F10 HydrophobicContact CG-CE2 3.93Å; F6-F10 AromaticContact CZ-CD2 3.89Å; F6-F10 HydrophobicContact CZ-CD2 3.89Å; F6-F10 AromaticContact CZ-CE2 3.66Å; F6-F10 HydrophobicContact CZ-CE2 3.66Å; F6-F10 WeakPolarHBondContact O-CB 3.42Å; F6-F10 WeakPolarHBondContact O-CD2 3.42Å; F6-F10 PolarHBondContact O-N 2.93Å; F6-R71 HydrophobicContact CE1-CB 4.47Å; F6-R71 HydrophobicContact CE1-CG 4.1Å; F6-R71 HydrophobicContact CZ-CB 4.22Å; F6-R71 HydrophobicContact CZ-CG 4.26Å; F6-L74 HydrophobicContact CD1-CD2 4.3Å; F6-L74 HydrophobicContact CE1-CD2 3.65Å; F6-L74 HydrophobicContact CZ-CD2 4.33Å; F6-H182 VanDerWaalsContact CA-CD2 3.43Å; F6-H182 WeakPolarHBondContact CA-CD2 3.41Å; F6-H182 HydrophobicContact CD2-CB 3.74Å; F6-H182 HydrophobicContact CE2-CB 4.16Å; F6-H182 PolarHBondContact N-CD2 2.83Å; F6-H182 PolarHBondContact N-NE2 3.25Å; F6-C186 HydrophobicContact CE2-CB 4.18Å
7K53Low56.8Low110 Ų11089.2 Ų89.248%0.47844%0.443SS..Hα-helixtrans-65.2-39.4178.4-73.2178-178.2167.80111G5 V11 E36G5-K7 PolarHBondContact O-N 2.73Å; K7-V11 WeakPolarHBondContact O-CA 3.12Å; K7-V11 WeakPolarHBondContact O-CB 3.28Å; K7-V11 WeakPolarHBondContact O-CG2 3.34Å; K7-V11 PolarHBondContact O-N 3.31Å; K7-E36 IonicContact NZ-OE1 3.7Å; K7-E36 PolarHBondContact NZ-OE1 3.28Å; K7-E36 IonicContact NZ-OE2 3.63Å
8E52.4Low58.4Low145 Ų14590.2 Ų90.268%0.67846%0.457SS*.Hα-helixtrans-71.2-43.4-174-69.3-177.2173.200114.7G5 F6 F10G5-E8 PolarHBondContact O-N 3.43Å; F6-E8 PolarHBondContact O-N 2.8Å; E8-F10 VanDerWaalsContact C-N 3.31Å
9I54.3Low59.8Low59 Ų5990.3 Ų90.330%0.30345%0.454SS..Hα-helixtrans-65.7-41.9177-64.6-173.5000109.9G5 H182G5-I9 PolarHBondContact O-N 3.44Å; I9-H182 WeakPolarHBondContact CD1-CE1 3.47Å
10F55.1Low61.1Low3 Ų388.5 Ų88.51%0.01344%0.443CS..Hα-helixtrans-83.3-20.6-177.4-66.3-55.2000113.9F6 E8 K12 Q13 L74 T78 A179 H182F6-F10 AromaticContact CD1-CD2 3.8Å; F6-F10 HydrophobicContact CD1-CD2 3.8Å; F6-F10 HydrophobicContact CD1-CE2 4.17Å; F6-F10 HydrophobicContact CD2-CD2 4.03Å; F6-F10 AromaticContact CD2-CE2 3.57Å; F6-F10 HydrophobicContact CD2-CE2 3.57Å; F6-F10 AromaticContact CE1-CD2 3.81Å; F6-F10 HydrophobicContact CE1-CD2 3.81Å; F6-F10 HydrophobicContact CE1-CE2 4.06Å; F6-F10 HydrophobicContact CE2-CD2 4.01Å; F6-F10 AromaticContact CE2-CE2 3.41Å; F6-F10 HydrophobicContact CE2-CE2 3.41Å; F6-F10 VanDerWaalsContact CE2-CE2 3.41Å; F6-F10 HydrophobicContact CE2-CZ 4.35Å; F6-F10 AromaticContact CG-CD2 3.9Å; F6-F10 HydrophobicContact CG-CD2 3.9Å; F6-F10 AromaticContact CG-CE2 3.93Å; F6-F10 HydrophobicContact CG-CE2 3.93Å; F6-F10 AromaticContact CZ-CD2 3.89Å; F6-F10 HydrophobicContact CZ-CD2 3.89Å; F6-F10 AromaticContact CZ-CE2 3.66Å; F6-F10 HydrophobicContact CZ-CE2 3.66Å; F6-F10 WeakPolarHBondContact O-CB 3.42Å; F6-F10 WeakPolarHBondContact O-CD2 3.42Å; F6-F10 PolarHBondContact O-N 2.93Å; E8-F10 VanDerWaalsContact C-N 3.31Å; F10-K12 PolarHBondContact O-N 2.74Å; F10-Q13 CarbonylContact O-C 3.6Å; F10-Q13 WeakPolarHBondContact O-CA 3.44Å; F10-Q13 PolarHBondContact O-N 2.96Å; F10-L74 HydrophobicContact CB-CD1 3.63Å; F10-L74 HydrophobicContact CB-CD2 3.34Å; F10-L74 HydrophobicContact CB-CG 3.58Å; F10-L74 HydrophobicContact CD1-CD1 4.46Å; F10-L74 HydrophobicContact CD1-CD2 4.41Å; F10-L74 HydrophobicContact CD1-CG 4.03Å; F10-L74 HydrophobicContact CD2-CD2 3.66Å; F10-L74 HydrophobicContact CD2-CG 4.14Å; F10-L74 HydrophobicContact CG-CD1 4.18Å; F10-L74 HydrophobicContact CG-CD2 3.56Å; F10-L74 HydrophobicContact CG-CG 3.67Å; F10-T78 HydrophobicContact CD1-CG2 3.24Å; F10-T78 HydrophobicContact CE1-CG2 3.19Å; F10-T78 HydrophobicContact CZ-CG2 4.47Å; F10-A179 HydrophobicContact CE1-CB 4.21Å; F10-A179 HydrophobicContact CZ-CB 4.14Å; F10-H182 HydrophobicContact CE2-CB 3.84Å; F10-H182 HydrophobicContact CZ-CB 4.11Å
11V52.4Low62.3Low122 Ų12293.3 Ų93.374%0.73946%0.461SS*.Hα-helixtrans-63.1-28.9173.8160.10000110.9K7 Q13K7-V11 WeakPolarHBondContact O-CA 3.12Å; K7-V11 WeakPolarHBondContact O-CB 3.28Å; K7-V11 WeakPolarHBondContact O-CG2 3.34Å; K7-V11 PolarHBondContact O-N 3.31Å; V11-Q13 VanDerWaalsContact C-N 3.26Å; V11-Q13 PolarHBondContact O-N 2.83Å
12K50.5Low64.3Low195 Ų19583.3 Ų83.385%0.84841%0.411SS*.THydrogen-bonded Turntrans-69.7-21.7171-70.7-173.1179.2178.90113.2F10F10-K12 PolarHBondContact O-N 2.74Å
13Q55.4Low65.9Low49 Ų4983.8 Ų83.823%0.22942%0.415CS..SBendtrans-110.7116.9-177.9-63.3-164-600110.4F10 V11 T15 T78F10-Q13 CarbonylContact O-C 3.6Å; F10-Q13 WeakPolarHBondContact O-CA 3.44Å; F10-Q13 PolarHBondContact O-N 2.96Å; V11-Q13 VanDerWaalsContact C-N 3.26Å; V11-Q13 PolarHBondContact O-N 2.83Å; Q13-T15 PolarHBondContact O-N 2.86Å; Q13-T78 HydrophobicContact CB-CG2 4.3Å
14K65Low67.7Low191 Ų19186.3 Ų86.383%0.8344%0.435SS*.  trans-57.8134.9-176.9-68.1-179.9178.6178.20110.3
15T73.9Confident69.2Low51 Ų5187.1 Ų87.131%0.31344%0.44SS..  trans-58.2141.417051.20000109.6Q13 R17 L74Q13-T15 PolarHBondContact O-N 2.86Å; T15-R17 WeakPolarHBondContact CB-O 3.49Å; T15-R17 PolarHBondContact OG1-O 3.24Å; T15-L74 HydrophobicContact CG2-CB 4.4Å; T15-L74 HydrophobicContact CG2-CD1 3.49Å; T15-L74 VanDerWaalsContact CG2-CD1 3.49Å; T15-L74 HydrophobicContact CG2-CG 4.48Å
16F84.1Confident71Confident57 Ų5788.1 Ų88.125%0.2544%0.442CS..SBendtrans-60.8-48.4-179.5172.1-113000112N73 Y76 C80 D120 M123F16-N73 WeakPolarHBondContact CB-OD1 3.49Å; F16-Y76 HydrophobicContact CB-CD1 4.07Å; F16-Y76 AromaticContact CD1-CD1 3.77Å; F16-Y76 HydrophobicContact CD1-CD1 3.77Å; F16-Y76 HydrophobicContact CD1-CE1 4.13Å; F16-Y76 HydrophobicContact CD2-CD1 4.05Å; F16-Y76 AromaticContact CD2-CE1 3.96Å; F16-Y76 HydrophobicContact CD2-CE1 3.96Å; F16-Y76 HydrophobicContact CE1-CD1 4.19Å; F16-Y76 HydrophobicContact CE1-CE1 4.13Å; F16-Y76 HydrophobicContact CE2-CD1 4.44Å; F16-Y76 AromaticContact CE2-CE1 3.96Å; F16-Y76 HydrophobicContact CE2-CE1 3.96Å; F16-Y76 AromaticContact CG-CD1 3.69Å; F16-Y76 HydrophobicContact CG-CD1 3.69Å; F16-Y76 HydrophobicContact CG-CE1 4.05Å; F16-Y76 HydrophobicContact CZ-CE1 4.04Å; F16-C80 HydrophobicContact CD2-CB 4.46Å; F16-D120 HydrophobicContact CZ-CB 4.33Å; F16-D120 WeakPolarHBondContact CZ-OD1 3.3Å; F16-M123 HydrophobicContact CD1-CG 4.12Å; F16-M123 HydrophobicContact CE1-CB 4.36Å; F16-M123 HydrophobicContact CE1-CG 4.15Å
17R85.3Confident72.6Confident63 Ų6390.5 Ų90.524%0.23846%0.455CS..SBendtrans-106.9156.6164.5-62.1-62-161.8-145.9-0.9111.2T15 K19 N73 D120 M123 D124T15-R17 WeakPolarHBondContact CB-O 3.49Å; T15-R17 PolarHBondContact OG1-O 3.24Å; R17-K19 PolarHBondContact O-N 3.09Å; R17-N73 WeakPolarHBondContact CB-OD1 3.43Å; R17-N73 PolarHBondContact N-ND2 3.28Å; R17-N73 PolarHBondContact N-OD1 3.24Å; R17-N73 PolarHBondContact O-ND2 3.36Å; R17-D120 IonicContact CZ-OD1 2.88Å; R17-D120 VanDerWaalsContact CZ-OD1 3.26Å; R17-D120 IonicContact NH1-OD1 3Å; R17-D120 IonicContact NH2-OD1 3.39Å; R17-D120 PolarHBondContact NH2-OD1 3.4Å; R17-D120 IonicContact NH2-OD2 2.73Å; R17-M123 HydrophobicContact CG-CB 4.12Å; R17-D124 IonicContact CZ-OD1 3.9Å; R17-D124 IonicContact CZ-OD2 2.75Å; R17-D124 IonicContact NE-OD1 2.91Å; R17-D124 PolarHBondContact NE-OD1 3.39Å; R17-D124 IonicContact NH2-OD1 3.83Å; R17-D124 PolarHBondContact NH2-OD1 3.04Å; R17-D124 IonicContact NH2-OD2 3.04Å; R17-D124 PolarHBondContact NH2-OD2 2.99Å
18P84.7Confident74.1Confident106 Ų10686 Ų8669%0.68844%0.435SS*.PPolyproline II helixtrans-54.5131.9171.8-25.234.7000112.3K20P18-K20 PolarHBondContact O-N 2.99Å
19K85.1Confident75.8Confident92 Ų9282.6 Ų82.640%0.442%0.416SS..PPolyproline II helixtrans-61.3130.1178-173.7-177.8175.8178.90110.8R17 N70R17-K19 PolarHBondContact O-N 3.09Å; K19-N70 HydrophobicContact CG-CB 4.14Å; K19-N70 WeakPolarHBondContact CG-OD1 3.09Å
20K86.5Confident77.4Confident54 Ų5484.7 Ų84.724%0.23543%0.425CS..PPolyproline II helixtrans-73.6140.1171.7-63.1-65.7176.2166.90111.1P18 V66 Y69 N70 D127 I130 N131P18-K20 PolarHBondContact O-N 2.99Å; K20-V66 HydrophobicContact CB-CG1 4.08Å; K20-Y69 HydrophobicContact CG-CD1 4.34Å; K20-Y69 HydrophobicContact CG-CE1 3.93Å; K20-N70 PolarHBondContact N-OD1 3.12Å; K20-N70 PolarHBondContact O-ND2 3.43Å; K20-D127 WeakPolarHBondContact CE-OD1 3.26Å; K20-D127 VanDerWaalsContact NZ-CG 3.27Å; K20-D127 IonicContact NZ-OD1 3.9Å; K20-D127 PolarHBondContact NZ-OD1 3.06Å; K20-D127 IonicContact NZ-OD2 3.96Å; K20-D127 PolarHBondContact NZ-OD2 3.44Å; K20-I130 HydrophobicContact CG-CD1 4.16Å; K20-N131 PolarHBondContact NZ-ND2 2.93Å
21K85.7Confident78.9Confident191 Ų19184.6 Ų84.683%0.8342%0.424SS*.  trans-118.8142.7177.5-62.4-179.1-178.7178.90108.4
22F84.9Confident80.7Confident20 Ų2079.6 Ų79.69%0.08839%0.393CS..PPolyproline II helixtrans-76.6136.1168.1-56.6-83.2000108.6R28 Y29 H32 V63 V66F22-R28 HydrophobicContact CD1-CB 3.68Å; F22-R28 HydrophobicContact CE1-CB 4.2Å; F22-R28 HydrophobicContact CG-CB 4.48Å; F22-Y29 HydrophobicContact CB-CD2 4.25Å; F22-H32 HydrophobicContact CD2-CB 3.55Å; F22-H32 AromaticContact CD2-CD2 3.42Å; F22-H32 VanDerWaalsContact CD2-CD2 3.42Å; F22-H32 WeakPolarHBondContact CD2-CD2 3.43Å; F22-H32 AromaticContact CD2-CG 3.38Å; F22-H32 HydrophobicContact CE2-CB 3.56Å; F22-H32 AromaticContact CE2-CD2 3.62Å; F22-H32 AromaticContact CE2-CE1 3.83Å; F22-H32 AromaticContact CE2-CG 3.23Å; F22-H32 AromaticContact CE2-ND1 3.4Å; F22-H32 WeakPolarHBondContact CE2-ND1 3.18Å; F22-H32 AromaticContact CE2-NE2 3.95Å; F22-H32 HydrophobicContact CG-CB 4.2Å; F22-H32 HydrophobicContact CZ-CB 4.18Å; F22-V63 HydrophobicContact CE1-CG2 4.23Å; F22-V63 HydrophobicContact CZ-CB 4.46Å; F22-V63 HydrophobicContact CZ-CG1 4.15Å; F22-V66 HydrophobicContact CE1-CB 3.81Å; F22-V66 HydrophobicContact CE1-CG1 3.82Å; F22-V66 HydrophobicContact CE1-CG2 4.14Å; F22-V66 HydrophobicContact CE2-CG1 4.07Å; F22-V66 HydrophobicContact CZ-CB 3.56Å; F22-V66 HydrophobicContact CZ-CG1 3.49Å; F22-V66 VanDerWaalsContact CZ-CG1 3.49Å; F22-V66 HydrophobicContact CZ-CG2 4.39Å
23A83Confident82.6Confident58 Ų5874.8 Ų74.848%0.47937%0.372SS..PPolyproline II helixtrans-62.2133.1177.700000109.6T26 Y29A23-T26 HydrophobicContact CB-CG2 3.8Å; A23-T26 WeakPolarHBondContact O-CB 3.09Å; A23-T26 WeakPolarHBondContact O-CG2 3.47Å; A23-T26 PolarHBondContact O-N 2.95Å; A23-T26 PolarHBondContact O-OG1 2.79Å; A23-Y29 WeakPolarHBondContact O-CB 3.38Å
24P83.1Confident84.1Confident93 Ų9376.9 Ų76.960%0.60438%0.381SS*.THydrogen-bonded Turntrans-51.7148.8176.9-2634.8000112T26P24-T26 PolarHBondContact O-N 2.86Å; P24-T26 VanDerWaalsContact O-N 3.12Å
25D80.3Confident85.1Confident139 Ų13968 Ų6874%0.74334%0.344SS*.THydrogen-bonded Turntrans62.615.4176-47-45.1000115.5
26T85.4Confident85.7Confident39 Ų3967 Ų6724%0.23934%0.336CS..SBendtrans-92.5154169.563.90000111.6A23 P24 R28 Y29 H30A23-T26 HydrophobicContact CB-CG2 3.8Å; A23-T26 WeakPolarHBondContact O-CB 3.09Å; A23-T26 WeakPolarHBondContact O-CG2 3.47Å; A23-T26 PolarHBondContact O-N 2.95Å; A23-T26 PolarHBondContact O-OG1 2.79Å; P24-T26 PolarHBondContact O-N 2.86Å; P24-T26 VanDerWaalsContact O-N 3.12Å; T26-R28 PolarHBondContact O-N 3.1Å; T26-Y29 WeakPolarHBondContact O-CA 3.37Å; T26-Y29 WeakPolarHBondContact O-CB 3.43Å; T26-Y29 PolarHBondContact O-N 3.07Å; T26-Y29 WeakPolarHBondContact OG1-CB 3.33Å; T26-Y29 PolarHBondContact OG1-N 3.3Å; T26-H30 PolarHBondContact O-CD2 3.01Å; T26-H30 PolarHBondContact O-N 3.47Å; T26-H30 VanDerWaalsContact O-N 3.14Å
27I84.3Confident85.7Confident64 Ų6467 Ų6733%0.32835%0.347SS..Hα-helixtrans-49.8-46.8173.5-66.5174.9000110.5Y29 H30 L31 I140I27-Y29 VanDerWaalsContact C-N 3.28Å; I27-Y29 PolarHBondContact O-N 3.11Å; I27-H30 PolarHBondContact O-N 2.85Å; I27-L31 HydrophobicContact CG2-CD1 3.86Å; I27-L31 HydrophobicContact CG2-CG 4.34Å; I27-L31 WeakPolarHBondContact O-CB 3.38Å; I27-L31 PolarHBondContact O-N 2.85Å; I27-I140 HydrophobicContact CD1-CD1 4.26Å; I27-I140 HydrophobicContact CD1-CG1 3.81Å; I27-I140 HydrophobicContact CG1-CG1 4.42Å
28R86.1Confident85.4Confident16 Ų1665.1 Ų65.16%0.0634%0.343CS..Hα-helixtrans-61.1-34.5178.8-65.5-173.7179.5177.6-2113.4F22 T26 H32 V63 F136 P137F22-R28 HydrophobicContact CD1-CB 3.68Å; F22-R28 HydrophobicContact CE1-CB 4.2Å; F22-R28 HydrophobicContact CG-CB 4.48Å; T26-R28 PolarHBondContact O-N 3.1Å; R28-H32 WeakPolarHBondContact O-CB 3.34Å; R28-H32 PolarHBondContact O-N 3.07Å; R28-V63 HydrophobicContact CB-CG2 3.91Å; R28-V63 HydrophobicContact CG-CG2 4.12Å; R28-F136 PolarHBondContact NH1-O 3.01Å; R28-F136 PolarHBondContact NH2-O 3.29Å; R28-P137 PolarHBondContact NH2-O 3.29Å
29Y87.7Confident85.3Confident72 Ų7260.6 Ų60.628%0.28231%0.313SS..Hα-helixtrans-67.6-44.9175.9175.1-96.1000111.7F22 A23 T26 I27 H32 K33F22-Y29 HydrophobicContact CB-CD2 4.25Å; A23-Y29 WeakPolarHBondContact O-CB 3.38Å; T26-Y29 WeakPolarHBondContact O-CA 3.37Å; T26-Y29 WeakPolarHBondContact O-CB 3.43Å; T26-Y29 PolarHBondContact O-N 3.07Å; T26-Y29 WeakPolarHBondContact OG1-CB 3.33Å; T26-Y29 PolarHBondContact OG1-N 3.3Å; I27-Y29 VanDerWaalsContact C-N 3.28Å; I27-Y29 PolarHBondContact O-N 3.11Å; Y29-H32 PolarHBondContact O-N 2.79Å; Y29-K33 HydrophobicContact CE1-CG 4.17Å; Y29-K33 HydrophobicContact CE2-CG 4.44Å; Y29-K33 WeakPolarHBondContact O-CG 3.34Å; Y29-K33 PolarHBondContact O-N 3.15Å; Y29-K33 VanDerWaalsContact OH-CE 3.26Å; Y29-K33 WeakPolarHBondContact OH-CE 3.19Å
30H87.2Confident85Confident104 Ų10459.3 Ų59.348%0.48132%0.315SS..Hα-helixtrans-64.3-46176.8-65.9-67.9000111.9T26 I27 H32 K33 H34T26-H30 PolarHBondContact O-CD2 3.01Å; T26-H30 PolarHBondContact O-N 3.47Å; T26-H30 VanDerWaalsContact O-N 3.14Å; I27-H30 PolarHBondContact O-N 2.85Å; H30-H32 PolarHBondContact O-N 3.47Å; H30-K33 WeakPolarHBondContact O-CB 3.47Å; H30-K33 PolarHBondContact O-N 3.42Å; H30-H34 PolarHBondContact O-N 3.03Å
31L86.9Confident84.5Confident1 Ų160.5 Ų60.51%0.00533%0.33CS..Hα-helixtrans-59.6-43.2174.4-83.9178000112.7I27 K33 H34 A35 E55 D59 W60 V63I27-L31 HydrophobicContact CG2-CD1 3.86Å; I27-L31 HydrophobicContact CG2-CG 4.34Å; I27-L31 WeakPolarHBondContact O-CB 3.38Å; I27-L31 PolarHBondContact O-N 2.85Å; L31-K33 VanDerWaalsContact C-N 3.34Å; L31-K33 PolarHBondContact O-N 3.33Å; L31-H34 PolarHBondContact O-N 2.91Å; L31-A35 WeakPolarHBondContact O-CB 3.23Å; L31-A35 PolarHBondContact O-N 3.05Å; L31-E55 HydrophobicContact CD2-CB 4.12Å; L31-E55 HydrophobicContact CD2-CG 3.52Å; L31-E55 VanDerWaalsContact CD2-OE1 3.29Å; L31-E55 WeakPolarHBondContact CD2-OE1 3.48Å; L31-E55 WeakPolarHBondContact CD2-OE2 3.29Å; L31-D59 HydrophobicContact CD1-CB 3.8Å; L31-W60 HydrophobicContact CD2-CE3 3.88Å; L31-W60 HydrophobicContact CD2-CZ3 4.16Å; L31-V63 HydrophobicContact CB-CG2 3.8Å; L31-V63 HydrophobicContact CD1-CG2 4.33Å
32H90.7Very high83.9Confident17 Ų1754.3 Ų54.38%0.07932%0.32CS..Hα-helixtrans-61-43.2175.5175.257.8000111.9F22 R28 Y29 H30 H34 A35 E36 V63F22-H32 HydrophobicContact CD2-CB 3.55Å; F22-H32 AromaticContact CD2-CD2 3.42Å; F22-H32 VanDerWaalsContact CD2-CD2 3.42Å; F22-H32 WeakPolarHBondContact CD2-CD2 3.43Å; F22-H32 AromaticContact CD2-CG 3.38Å; F22-H32 HydrophobicContact CE2-CB 3.56Å; F22-H32 AromaticContact CE2-CD2 3.62Å; F22-H32 AromaticContact CE2-CE1 3.83Å; F22-H32 AromaticContact CE2-CG 3.23Å; F22-H32 AromaticContact CE2-ND1 3.4Å; F22-H32 WeakPolarHBondContact CE2-ND1 3.18Å; F22-H32 AromaticContact CE2-NE2 3.95Å; F22-H32 HydrophobicContact CG-CB 4.2Å; F22-H32 HydrophobicContact CZ-CB 4.18Å; R28-H32 WeakPolarHBondContact O-CB 3.34Å; R28-H32 PolarHBondContact O-N 3.07Å; Y29-H32 PolarHBondContact O-N 2.79Å; H30-H32 PolarHBondContact O-N 3.47Å; H32-H34 VanDerWaalsContact C-N 3.35Å; H32-A35 PolarHBondContact O-N 3.18Å; H32-E36 VanDerWaalsContact CE1-CG 3.49Å; H32-E36 WeakPolarHBondContact CE1-CG 3.31Å; H32-E36 IonicContact CE1-OE1 2.69Å; H32-E36 VanDerWaalsContact NE2-CD 3.34Å; H32-E36 IonicContact NE2-OE1 2.68Å; H32-E36 IonicContact NE2-OE2 3.53Å; H32-E36 WeakPolarHBondContact O-CB 3.3Å; H32-E36 WeakPolarHBondContact O-CG 3.49Å; H32-E36 PolarHBondContact O-N 2.65Å; H32-V63 HydrophobicContact CB-CG1 3.85Å
33K89.9Confident83.5Confident94 Ų9457.1 Ų57.141%0.40934%0.336SS..Hα-helixtrans-63.2-41.5176.4-73.9-65.4-174.3-173.30112.2Y29 H30 L31 E36 A37Y29-K33 HydrophobicContact CE1-CG 4.17Å; Y29-K33 HydrophobicContact CE2-CG 4.44Å; Y29-K33 WeakPolarHBondContact O-CG 3.34Å; Y29-K33 PolarHBondContact O-N 3.15Å; Y29-K33 VanDerWaalsContact OH-CE 3.26Å; Y29-K33 WeakPolarHBondContact OH-CE 3.19Å; H30-K33 WeakPolarHBondContact O-CB 3.47Å; H30-K33 PolarHBondContact O-N 3.42Å; L31-K33 VanDerWaalsContact C-N 3.34Å; L31-K33 PolarHBondContact O-N 3.33Å; K33-E36 IonicContact NZ-OE2 2.84Å; K33-E36 PolarHBondContact O-N 2.97Å; K33-A37 WeakPolarHBondContact O-CB 3.2Å; K33-A37 PolarHBondContact O-N 3.43Å
34H85.9Confident83.7Confident92 Ų9258.9 Ų58.943%0.42634%0.337SS..Hα-helixtrans-61.2-48.4175-175.6-104.9000111.3H30 L31 H32 E36 A37 S38H30-H34 PolarHBondContact O-N 3.03Å; L31-H34 PolarHBondContact O-N 2.91Å; H32-H34 VanDerWaalsContact C-N 3.35Å; H34-E36 PolarHBondContact O-N 3.41Å; H34-A37 PolarHBondContact O-N 3.22Å; H34-S38 PolarHBondContact O-N 3.5Å; H34-S38 PolarHBondContact O-OG 3.27Å
35A86.6Confident84.1Confident6 Ų655.7 Ų55.75%0.0532%0.315CS..Hα-helixtrans-60.5-4517600000112.7L31 H32 A37 S38 L39 W60L31-A35 WeakPolarHBondContact O-CB 3.23Å; L31-A35 PolarHBondContact O-N 3.05Å; H32-A35 PolarHBondContact O-N 3.18Å; A35-A37 VanDerWaalsContact C-N 3.32Å; A35-A37 PolarHBondContact O-N 3.25Å; A35-S38 PolarHBondContact O-N 3.38Å; A35-L39 WeakPolarHBondContact O-CG 3.24Å; A35-L39 PolarHBondContact O-N 3.43Å; A35-W60 HydrophobicContact CB-CH2 3.8Å; A35-W60 HydrophobicContact CB-CZ3 4Å
36E87.3Confident84.6Confident30 Ų3053.9 Ų53.914%0.1430%0.297CS..Hα-helixtrans-61.3-39.5176-79.2-163.9133.600111.8K7 H32 K33 H34 L39 S40K7-E36 IonicContact NZ-OE1 3.7Å; K7-E36 PolarHBondContact NZ-OE1 3.28Å; K7-E36 IonicContact NZ-OE2 3.63Å; H32-E36 VanDerWaalsContact CE1-CG 3.49Å; H32-E36 WeakPolarHBondContact CE1-CG 3.31Å; H32-E36 IonicContact CE1-OE1 2.69Å; H32-E36 VanDerWaalsContact NE2-CD 3.34Å; H32-E36 IonicContact NE2-OE1 2.68Å; H32-E36 IonicContact NE2-OE2 3.53Å; H32-E36 WeakPolarHBondContact O-CB 3.3Å; H32-E36 WeakPolarHBondContact O-CG 3.49Å; H32-E36 PolarHBondContact O-N 2.65Å; K33-E36 IonicContact NZ-OE2 2.84Å; K33-E36 PolarHBondContact O-N 2.97Å; H34-E36 PolarHBondContact O-N 3.41Å; E36-L39 PolarHBondContact O-N 2.92Å; E36-S40 VanDerWaalsContact O-CB 3.31Å; E36-S40 WeakPolarHBondContact O-CB 3.46Å; E36-S40 PolarHBondContact O-N 2.89Å; E36-S40 PolarHBondContact O-OG 3.28Å
37A83.8Confident84.9Confident57 Ų5756.7 Ų56.747%0.47131%0.308SS..Hα-helixtrans-64.9-45.5178.600000111.5K33 H34 A35 L39 S40 S41K33-A37 WeakPolarHBondContact O-CB 3.2Å; K33-A37 PolarHBondContact O-N 3.43Å; H34-A37 PolarHBondContact O-N 3.22Å; A35-A37 VanDerWaalsContact C-N 3.32Å; A35-A37 PolarHBondContact O-N 3.25Å; A37-L39 VanDerWaalsContact C-N 3.33Å; A37-L39 PolarHBondContact O-N 3.18Å; A37-S40 PolarHBondContact O-N 2.78Å; A37-S40 VanDerWaalsContact O-N 3.14Å; A37-S41 WeakPolarHBondContact O-CB 3.4Å; A37-S41 PolarHBondContact O-N 3.41Å; A37-S41 PolarHBondContact O-OG 2.95Å
38S79.5Confident85.2Confident22 Ų2254 Ų5415%0.15430%0.296CS..Hα-helixtrans-61.7-39.7177-640000112.7H34 A35 S40 S41H34-S38 PolarHBondContact O-N 3.5Å; H34-S38 PolarHBondContact O-OG 3.27Å; A35-S38 PolarHBondContact O-N 3.38Å; S38-S40 VanDerWaalsContact C-N 3.32Å; S38-S41 PolarHBondContact O-OG 3.3Å
39L81.4Confident85.6Confident12 Ų1253.3 Ų53.36%0.06329%0.293CS..Hα-helixtrans-69.6-31.4175.8-70.4167.2000112.5F3 A35 E36 A37 L45 A48F3-L39 HydrophobicContact CD1-CB 4.43Å; F3-L39 HydrophobicContact CD2-CB 4.2Å; F3-L39 HydrophobicContact CE1-CB 4.16Å; F3-L39 HydrophobicContact CE1-CD1 4.31Å; F3-L39 HydrophobicContact CE2-CB 3.92Å; F3-L39 HydrophobicContact CE2-CD1 4.31Å; F3-L39 HydrophobicContact CE2-CD2 4.06Å; F3-L39 HydrophobicContact CE2-CG 4.32Å; F3-L39 HydrophobicContact CG-CB 4.44Å; F3-L39 HydrophobicContact CZ-CB 3.9Å; F3-L39 HydrophobicContact CZ-CD1 3.74Å; F3-L39 HydrophobicContact CZ-CD2 4.33Å; F3-L39 HydrophobicContact CZ-CG 4.21Å; A35-L39 WeakPolarHBondContact O-CG 3.24Å; A35-L39 PolarHBondContact O-N 3.43Å; E36-L39 PolarHBondContact O-N 2.92Å; A37-L39 VanDerWaalsContact C-N 3.33Å; A37-L39 PolarHBondContact O-N 3.18Å; L39-L45 HydrophobicContact CD2-CD2 3.52Å; L39-A48 HydrophobicContact CD2-CB 3.82Å; L39-A48 HydrophobicContact CG-CB 4.41Å
40S78.4Confident85.9Confident64 Ų6453.7 Ų53.745%0.44830%0.296SS..Hα-helixtrans-83.4-28.1-177.5-56.90000113.2E36 A37 S38 G42E36-S40 VanDerWaalsContact O-CB 3.31Å; E36-S40 WeakPolarHBondContact O-CB 3.46Å; E36-S40 PolarHBondContact O-N 2.89Å; E36-S40 PolarHBondContact O-OG 3.28Å; A37-S40 PolarHBondContact O-N 2.78Å; A37-S40 VanDerWaalsContact O-N 3.14Å; S38-S40 VanDerWaalsContact C-N 3.32Å; S40-G42 PolarHBondContact O-N 3.06Å
41S77.2Confident86.2Confident80 Ų8051.4 Ų51.456%0.55929%0.285SS*.THydrogen-bonded Turntrans-71.2-7.4178.761.60000113.7A37 S38 I43A37-S41 WeakPolarHBondContact O-CB 3.4Å; A37-S41 PolarHBondContact O-N 3.41Å; A37-S41 PolarHBondContact O-OG 2.95Å; S38-S41 PolarHBondContact O-OG 3.3Å; S41-I43 VanDerWaalsContact C-N 3.34Å; S41-I43 WeakPolarHBondContact OG-CD1 3.22Å; S41-I43 VanDerWaalsContact OG-CG1 3.32Å; S41-I43 WeakPolarHBondContact OG-CG1 2.81Å
42G72.8Confident86.5Confident60 Ų6052.6 Ų52.662%0.61929%0.292SS*.THydrogen-bonded Turntrans80.416179.500000113.8S40S40-G42 PolarHBondContact O-N 3.06Å
43I76.7Confident86.5Confident80 Ų8059.6 Ų59.641%0.4133%0.33SS..  trans-55.2146.5166.9-67167.9000109.1S41 L45 E47S41-I43 VanDerWaalsContact C-N 3.34Å; S41-I43 WeakPolarHBondContact OG-CD1 3.22Å; S41-I43 VanDerWaalsContact OG-CG1 3.32Å; S41-I43 WeakPolarHBondContact OG-CG1 2.81Å; I43-L45 PolarHBondContact O-N 3.41Å; I43-E47 HydrophobicContact CG2-CB 3.74Å
44D87.6Confident86.5Confident94 Ų9461.9 Ų61.950%0.50335%0.347SS..  trans-54.5131.8173.5-169-51.4000110.2R46 E47 A48D44-R46 PolarHBondContact O-N 3.39Å; D44-R46 VanDerWaalsContact O-N 3.09Å; D44-R46 VanDerWaalsContact OD1-CB 3.31Å; D44-R46 WeakPolarHBondContact OD1-CB 3.39Å; D44-R46 WeakPolarHBondContact OD1-CG 3.38Å; D44-R46 PolarHBondContact OD1-N 3.35Å; D44-E47 HydrophobicContact CB-CG 4.36Å; D44-E47 PolarHBondContact O-N 2.94Å; D44-A48 PolarHBondContact O-N 3.47Å
45L90.6Very high86.8Confident27 Ų2760.1 Ų60.114%0.14134%0.339CS..Hα-helixtrans-57.1-27.6-180-66.1176.4000112.7L39 I43 E47 A48 V49 T185 K188 H189 Y192L39-L45 HydrophobicContact CD2-CD2 3.52Å; I43-L45 PolarHBondContact O-N 3.41Å; L45-E47 VanDerWaalsContact C-N 3.32Å; L45-A48 PolarHBondContact O-N 3.46Å; L45-V49 WeakPolarHBondContact O-CG1 3.5Å; L45-V49 PolarHBondContact O-N 3.05Å; L45-T185 HydrophobicContact CD1-CG2 4.3Å; L45-K188 HydrophobicContact CD1-CB 3.69Å; L45-K188 HydrophobicContact CD1-CD 4.38Å; L45-H189 HydrophobicContact CD1-CB 4.45Å; L45-H189 HydrophobicContact CD2-CB 4.26Å; L45-Y192 HydrophobicContact CB-CD2 3.66Å; L45-Y192 HydrophobicContact CB-CE2 3.84Å
46R90.6Very high87.1Confident100 Ų10063.5 Ų63.538%0.37735%0.354SS..Hα-helixtrans-68.9-30175.4-66.1176.8175-91.21.9112.7D44 V49 Y192 C216D44-R46 PolarHBondContact O-N 3.39Å; D44-R46 VanDerWaalsContact O-N 3.09Å; D44-R46 VanDerWaalsContact OD1-CB 3.31Å; D44-R46 WeakPolarHBondContact OD1-CB 3.39Å; D44-R46 WeakPolarHBondContact OD1-CG 3.38Å; D44-R46 PolarHBondContact OD1-N 3.35Å; R46-V49 WeakPolarHBondContact O-CG2 3.4Å; R46-Y192 HydrophobicContact CG-CD1 4.06Å; R46-Y192 HydrophobicContact CG-CD2 3.69Å; R46-Y192 HydrophobicContact CG-CE1 3.96Å; R46-Y192 HydrophobicContact CG-CE2 3.57Å; R46-Y192 HydrophobicContact CG-CG 3.94Å; R46-Y192 PolarHBondContact NE-OH 2.8Å; R46-C216 PolarHBondContact NH2-O 2.69Å
47E91.8Very high87.5Confident99 Ų9965.4 Ų65.446%0.46336%0.364SS..Hα-helixtrans-83.7-37.9174.5-64.8-55.9122.600110.7I43 D44 L45 V49 K50I43-E47 HydrophobicContact CG2-CB 3.74Å; D44-E47 HydrophobicContact CB-CG 4.36Å; D44-E47 PolarHBondContact O-N 2.94Å; L45-E47 VanDerWaalsContact C-N 3.32Å; E47-V49 PolarHBondContact O-N 3.46Å; E47-V49 VanDerWaalsContact O-N 3.14Å; E47-K50 WeakPolarHBondContact O-CB 3.33Å; E47-K50 PolarHBondContact O-N 2.91Å; E47-K50 VanDerWaalsContact O-N 3.07Å; E47-K50 WeakPolarHBondContact OE1-CE 3.36Å; E47-K50 IonicContact OE1-NZ 2.85Å; E47-K50 PolarHBondContact OE1-NZ 2.92Å; E47-K50 WeakPolarHBondContact OE2-CE 3.36Å; E47-K50 IonicContact OE2-NZ 3.92Å; E47-K50 PolarHBondContact OE2-NZ 2.77Å
48A91.2Very high88.1Confident8 Ų864.4 Ų64.47%0.06635%0.351CS..Hα-helixtrans-62.3-21.9-179.200000114.3L39 D44 L45L39-A48 HydrophobicContact CD2-CB 3.82Å; L39-A48 HydrophobicContact CG-CB 4.41Å; D44-A48 PolarHBondContact O-N 3.47Å; L45-A48 PolarHBondContact O-N 3.46Å
49V93.9Very high88.8Confident1 Ų164.8 Ų64.81%0.00635%0.352CS..THydrogen-bonded Turntrans-79.7-18.7177.3-64.60000113.5L45 R46 E47 W60 F193 Y196 F197L45-V49 WeakPolarHBondContact O-CG1 3.5Å; L45-V49 PolarHBondContact O-N 3.05Å; R46-V49 WeakPolarHBondContact O-CG2 3.4Å; E47-V49 PolarHBondContact O-N 3.46Å; E47-V49 VanDerWaalsContact O-N 3.14Å; V49-W60 PolarHBondContact O-NE1 3.43Å; V49-F193 HydrophobicContact CB-CB 4.35Å; V49-F193 HydrophobicContact CB-CD2 3.92Å; V49-F193 HydrophobicContact CG1-CB 3.79Å; V49-F193 HydrophobicContact CG1-CD2 4.01Å; V49-F193 HydrophobicContact CG1-CG 4.43Å; V49-Y196 HydrophobicContact CG2-CG 4.27Å; V49-F197 VanDerWaalsContact O-CE2 3.31Å; V49-F197 WeakPolarHBondContact O-CE2 3.42Å
50K94.4Very high89.5Confident79 Ų7964.4 Ų64.434%0.34335%0.349SS..SBendtrans-69.6138.1-177.1-61.9-177.2-175.3166.60109.8E47 W60 Y196E47-K50 WeakPolarHBondContact O-CB 3.33Å; E47-K50 PolarHBondContact O-N 2.91Å; E47-K50 VanDerWaalsContact O-N 3.07Å; E47-K50 WeakPolarHBondContact OE1-CE 3.36Å; E47-K50 IonicContact OE1-NZ 2.85Å; E47-K50 PolarHBondContact OE1-NZ 2.92Å; E47-K50 WeakPolarHBondContact OE2-CE 3.36Å; E47-K50 IonicContact OE2-NZ 3.92Å; E47-K50 PolarHBondContact OE2-NZ 2.77Å; K50-W60 VanDerWaalsContact O-CZ2 3.3Å; K50-W60 WeakPolarHBondContact O-CZ2 3.48Å; K50-Y196 HydrophobicContact CD-CE2 4.49Å; K50-Y196 HydrophobicContact CG-CE1 4.34Å; K50-Y196 HydrophobicContact CG-CE2 3.96Å
51K94Very high90.4Very high57 Ų5761.5 Ų61.525%0.24833%0.329CS..PPolyproline II helixtrans-68.6137.8174-173.8-17169.6650109.6D53 E55 L57 W60 F197K51-D53 PolarHBondContact NZ-O 2.69Å; K51-E55 HydrophobicContact CD-CB 4.36Å; K51-E55 VanDerWaalsContact CD-O 3.32Å; K51-E55 WeakPolarHBondContact CD-O 3.12Å; K51-E55 VanDerWaalsContact CE-O 3.25Å; K51-E55 WeakPolarHBondContact CE-O 3.25Å; K51-E55 HydrophobicContact CG-CB 3.98Å; K51-E55 PolarHBondContact NZ-O 3.01Å; K51-L57 HydrophobicContact CD-CB 4.15Å; K51-L57 HydrophobicContact CD-CD1 4.33Å; K51-W60 HydrophobicContact CB-CB 4.39Å; K51-W60 HydrophobicContact CB-CD2 4.4Å; K51-W60 HydrophobicContact CB-CG 3.93Å; K51-W60 HydrophobicContact CD-CB 4.2Å; K51-W60 HydrophobicContact CG-CB 3.83Å; K51-W60 HydrophobicContact CG-CD2 4.34Å; K51-W60 HydrophobicContact CG-CG 3.83Å; K51-F197 HydrophobicContact CB-CZ 4.46Å
52P92.4Very high91.4Very high25 Ų2557.7 Ų57.716%0.16230%0.302CS..PPolyproline II helixtrans-58.8151167.5-21.233.6000111.8D54 E55 W60P52-D54 VanDerWaalsContact C-N 3.26Å; P52-D54 PolarHBondContact O-N 2.81Å; P52-E55 HydrophobicContact CB-CB 4.31Å; P52-E55 HydrophobicContact CB-CG 3.77Å; P52-E55 HydrophobicContact CG-CB 4.47Å; P52-E55 HydrophobicContact CG-CG 3.88Å; P52-E55 PolarHBondContact O-N 3.43Å; P52-W60 HydrophobicContact CG-CZ3 4.47Å
53D90.2Very high92.4Very high165 Ų16554.9 Ų54.988%0.88227%0.273SS*.THydrogen-bonded Turntrans-61.4-35.5-172.3-71-28.8000113.1K51K51-D53 PolarHBondContact NZ-O 2.69Å
54D91.1Very high93.4Very high142 Ų14251.1 Ų51.176%0.75925%0.254SS*.THydrogen-bonded Turntrans-86.5-4.8-175.157.8-34.4000114.9P52P52-D54 VanDerWaalsContact C-N 3.26Å; P52-D54 PolarHBondContact O-N 2.81Å
55E91.9Very high93.9Very high54 Ų5446.7 Ų46.725%0.25223%0.23SC..SBendtrans-95.5157.5-174.6-66.9-70-176.500113.2L31 K51 P52L31-E55 HydrophobicContact CD2-CB 4.12Å; L31-E55 HydrophobicContact CD2-CG 3.52Å; L31-E55 VanDerWaalsContact CD2-OE1 3.29Å; L31-E55 WeakPolarHBondContact CD2-OE1 3.48Å; L31-E55 WeakPolarHBondContact CD2-OE2 3.29Å; K51-E55 HydrophobicContact CD-CB 4.36Å; K51-E55 VanDerWaalsContact CD-O 3.32Å; K51-E55 WeakPolarHBondContact CD-O 3.12Å; K51-E55 VanDerWaalsContact CE-O 3.25Å; K51-E55 WeakPolarHBondContact CE-O 3.25Å; K51-E55 HydrophobicContact CG-CB 3.98Å; K51-E55 PolarHBondContact NZ-O 3.01Å; P52-E55 HydrophobicContact CB-CB 4.31Å; P52-E55 HydrophobicContact CB-CG 3.77Å; P52-E55 HydrophobicContact CG-CB 4.47Å; P52-E55 HydrophobicContact CG-CG 3.88Å; P52-E55 PolarHBondContact O-N 3.43Å
56E92.8Very high94.2Very high77 Ų7745.8 Ų45.836%0.3623%0.226SC..  trans-84141.6174.5-160.3-72.8137.400111.1N58 D59 W60E56-N58 PolarHBondContact OE1-N 2.73Å; E56-N58 VanDerWaalsContact OE1-N 3.13Å; E56-N58 PolarHBondContact OE1-ND2 3.09Å; E56-N58 WeakPolarHBondContact OE2-CA 3.22Å; E56-N58 WeakPolarHBondContact OE2-CB 3.37Å; E56-N58 PolarHBondContact OE2-N 2.85Å; E56-D59 HydrophobicContact CB-CB 4.28Å; E56-D59 PolarHBondContact OE2-N 2.96Å; E56-W60 WeakPolarHBondContact O-CB 3.39Å; E56-W60 PolarHBondContact O-N 3.37Å
57L95.1Very high94.4Very high70 Ų7041.8 Ų41.837%0.36621%0.212SC..Hα-helixtrans-66.7-45.9-172.7176.362.6000113.7K51 W60 I61 F197K51-L57 HydrophobicContact CD-CB 4.15Å; K51-L57 HydrophobicContact CD-CD1 4.33Å; L57-W60 PolarHBondContact O-N 3.35Å; L57-I61 HydrophobicContact CD1-CD1 3.92Å; L57-I61 HydrophobicContact CD1-CG1 4.3Å; L57-I61 HydrophobicContact CG-CD1 3.98Å; L57-I61 WeakPolarHBondContact O-CB 3.38Å; L57-I61 VanDerWaalsContact O-CG1 3.29Å; L57-I61 WeakPolarHBondContact O-CG1 3.33Å; L57-I61 PolarHBondContact O-N 3.21Å; L57-F197 HydrophobicContact CD1-CD1 3.77Å; L57-F197 HydrophobicContact CD1-CE1 3.34Å; L57-F197 HydrophobicContact CD1-CZ 4.14Å
58N96.3Very high94.7Very high37 Ų3737 Ų3720%0.19819%0.19CC..Hα-helixtrans-68.3-36.1179.7-59.1-61.3000111.9E56 I61 A62 F144 Y148E56-N58 PolarHBondContact OE1-N 2.73Å; E56-N58 VanDerWaalsContact OE1-N 3.13Å; E56-N58 PolarHBondContact OE1-ND2 3.09Å; E56-N58 WeakPolarHBondContact OE2-CA 3.22Å; E56-N58 WeakPolarHBondContact OE2-CB 3.37Å; E56-N58 PolarHBondContact OE2-N 2.85Å; N58-I61 PolarHBondContact O-N 2.88Å; N58-A62 VanDerWaalsContact O-CB 3.28Å; N58-A62 WeakPolarHBondContact O-CB 3.45Å; N58-A62 PolarHBondContact O-N 3.15Å; N58-F144 HydrophobicContact CB-CB 4.31Å; N58-F144 HydrophobicContact CB-CD1 4.13Å; N58-F144 HydrophobicContact CB-CD2 3.4Å; N58-F144 HydrophobicContact CB-CE1 4.28Å; N58-F144 HydrophobicContact CB-CE2 3.59Å; N58-F144 HydrophobicContact CB-CG 3.68Å; N58-F144 HydrophobicContact CB-CZ 4.03Å; N58-Y148 HydrophobicContact CB-CD1 3.88Å; N58-Y148 HydrophobicContact CB-CE1 3.45Å; N58-Y148 VanDerWaalsContact CB-CE1 3.45Å; N58-Y148 PolarHBondContact O-OH 3.47Å; N58-Y148 VanDerWaalsContact OD1-CD1 3.23Å; N58-Y148 WeakPolarHBondContact OD1-CD1 3.35Å; N58-Y148 VanDerWaalsContact OD1-CE1 3.29Å; N58-Y148 WeakPolarHBondContact OD1-CE1 3.45Å
59D94.5Very high95Very high30 Ų3036.7 Ų36.716%0.1619%0.186CC..Hα-helixtrans-62.2-45.8171.5-79.6-52.7000111.6L31 E56 I61 A62 V63L31-D59 HydrophobicContact CD1-CB 3.8Å; E56-D59 HydrophobicContact CB-CB 4.28Å; E56-D59 PolarHBondContact OE2-N 2.96Å; D59-I61 VanDerWaalsContact C-N 3.34Å; D59-I61 PolarHBondContact O-N 3.1Å; D59-A62 PolarHBondContact O-N 3.06Å; D59-V63 WeakPolarHBondContact O-CG2 3.4Å; D59-V63 PolarHBondContact O-N 3.22Å
60W96Very high95.1Very high3 Ų336.9 Ų36.91%0.01119%0.188CC..Hα-helixtrans-58.3-46.7174.2-176.9-113.9000111.9L31 A35 V49 K50 K51 P52 E56 L57 H64 F193 F197L31-W60 HydrophobicContact CD2-CE3 3.88Å; L31-W60 HydrophobicContact CD2-CZ3 4.16Å; A35-W60 HydrophobicContact CB-CH2 3.8Å; A35-W60 HydrophobicContact CB-CZ3 4Å; V49-W60 PolarHBondContact O-NE1 3.43Å; K50-W60 VanDerWaalsContact O-CZ2 3.3Å; K50-W60 WeakPolarHBondContact O-CZ2 3.48Å; K51-W60 HydrophobicContact CB-CB 4.39Å; K51-W60 HydrophobicContact CB-CD2 4.4Å; K51-W60 HydrophobicContact CB-CG 3.93Å; K51-W60 HydrophobicContact CD-CB 4.2Å; K51-W60 HydrophobicContact CG-CB 3.83Å; K51-W60 HydrophobicContact CG-CD2 4.34Å; K51-W60 HydrophobicContact CG-CG 3.83Å; P52-W60 HydrophobicContact CG-CZ3 4.47Å; E56-W60 WeakPolarHBondContact O-CB 3.39Å; E56-W60 PolarHBondContact O-N 3.37Å; L57-W60 PolarHBondContact O-N 3.35Å; W60-H64 AromaticContact CD2-CE1 3.59Å; W60-H64 AromaticContact CD2-ND1 3.82Å; W60-H64 AromaticContact CE2-CE1 3.2Å; W60-H64 AromaticContact CE2-ND1 3.76Å; W60-H64 AromaticContact CE3-CE1 3.86Å; W60-H64 AromaticContact CH2-CE1 3.51Å; W60-H64 AromaticContact CZ2-CE1 3.19Å; W60-H64 WeakPolarHBondContact CZ2-CE1 3.29Å; W60-H64 AromaticContact CZ2-NE2 3.78Å; W60-H64 AromaticContact CZ3-CE1 3.82Å; W60-H64 AromaticContact NE1-CE1 3.74Å; W60-H64 AromaticContact NE1-ND1 3.98Å; W60-H64 PolarHBondContact O-N 3.01Å; W60-H64 PolarHBondContact O-ND1 2.77Å; W60-F193 AromaticContact NE1-CE2 3.81Å; W60-F197 AromaticContact CD1-CE2 3.86Å; W60-F197 AromaticContact CD1-CZ 3.62Å; W60-F197 AromaticContact NE1-CE2 3.87Å; W60-F197 AromaticContact NE1-CZ 3.83Å
61I97.8Very high95.1Very high3 Ų333.7 Ų33.72%0.01517%0.173CC..Hα-helixtrans-63.3-41176-70.3171.2000111.4L57 N58 D59 V63 H64 V65 Y148 I149 V152 F193 L199L57-I61 HydrophobicContact CD1-CD1 3.92Å; L57-I61 HydrophobicContact CD1-CG1 4.3Å; L57-I61 HydrophobicContact CG-CD1 3.98Å; L57-I61 WeakPolarHBondContact O-CB 3.38Å; L57-I61 VanDerWaalsContact O-CG1 3.29Å; L57-I61 WeakPolarHBondContact O-CG1 3.33Å; L57-I61 PolarHBondContact O-N 3.21Å; N58-I61 PolarHBondContact O-N 2.88Å; D59-I61 VanDerWaalsContact C-N 3.34Å; D59-I61 PolarHBondContact O-N 3.1Å; I61-V63 VanDerWaalsContact C-N 3.34Å; I61-V63 PolarHBondContact O-N 2.88Å; I61-H64 PolarHBondContact O-N 3.21Å; I61-H64 VanDerWaalsContact O-N 3.13Å; I61-V65 HydrophobicContact CG2-CG2 4.23Å; I61-V65 WeakPolarHBondContact O-CG2 3.46Å; I61-V65 PolarHBondContact O-N 3.33Å; I61-Y148 HydrophobicContact CG2-CE1 4.28Å; I61-I149 HydrophobicContact CD1-CD1 3.97Å; I61-V152 HydrophobicContact CG2-CB 4.41Å; I61-V152 HydrophobicContact CG2-CG1 3.61Å; I61-V152 HydrophobicContact CG2-CG2 4.01Å; I61-F193 HydrophobicContact CG1-CZ 4.1Å; I61-L199 HydrophobicContact CG2-CD1 4.48Å
62A96.7Very high95.3Very high0 Ų031 Ų310%016%0.162CC..Hα-helixtrans-62.5-43.5-17800000111.2N58 D59 H64 V65 V66 F136 F144 Y148N58-A62 VanDerWaalsContact O-CB 3.28Å; N58-A62 WeakPolarHBondContact O-CB 3.45Å; N58-A62 PolarHBondContact O-N 3.15Å; D59-A62 PolarHBondContact O-N 3.06Å; A62-H64 VanDerWaalsContact C-N 3.31Å; A62-H64 PolarHBondContact O-N 3.4Å; A62-V65 PolarHBondContact O-N 2.92Å; A62-V66 PolarHBondContact O-N 2.94Å; A62-F136 HydrophobicContact CB-CD1 3.99Å; A62-F136 HydrophobicContact CB-CE1 4.28Å; A62-F144 HydrophobicContact CB-CE1 4.11Å; A62-F144 HydrophobicContact CB-CZ 4.04Å; A62-Y148 VanDerWaalsContact CA-OH 3.23Å; A62-Y148 WeakPolarHBondContact CA-OH 3.21Å; A62-Y148 WeakPolarHBondContact CB-OH 3.5Å; A62-Y148 PolarHBondContact N-OH 2.65Å
63V95.3Very high95.4Very high1 Ų129.8 Ų29.81%0.00615%0.154CC..Hα-helixtrans-59.4-44.1174.5167.90000111.1F22 R28 L31 H32 D59 I61 V66 D67F22-V63 HydrophobicContact CE1-CG2 4.23Å; F22-V63 HydrophobicContact CZ-CB 4.46Å; F22-V63 HydrophobicContact CZ-CG1 4.15Å; R28-V63 HydrophobicContact CB-CG2 3.91Å; R28-V63 HydrophobicContact CG-CG2 4.12Å; L31-V63 HydrophobicContact CB-CG2 3.8Å; L31-V63 HydrophobicContact CD1-CG2 4.33Å; H32-V63 HydrophobicContact CB-CG1 3.85Å; D59-V63 WeakPolarHBondContact O-CG2 3.4Å; D59-V63 PolarHBondContact O-N 3.22Å; I61-V63 VanDerWaalsContact C-N 3.34Å; I61-V63 PolarHBondContact O-N 2.88Å; V63-V66 PolarHBondContact O-N 3.33Å; V63-D67 PolarHBondContact O-N 3.08Å
64H97.1Very high95.5Very high2 Ų223 Ų231%0.00912%0.117CC..Hα-helixtrans-70.1-36.5179.9-76.876.7000113.1W60 I61 A62 V66 D67 F68 H189 F193W60-H64 AromaticContact CD2-CE1 3.59Å; W60-H64 AromaticContact CD2-ND1 3.82Å; W60-H64 AromaticContact CE2-CE1 3.2Å; W60-H64 AromaticContact CE2-ND1 3.76Å; W60-H64 AromaticContact CE3-CE1 3.86Å; W60-H64 AromaticContact CH2-CE1 3.51Å; W60-H64 AromaticContact CZ2-CE1 3.19Å; W60-H64 WeakPolarHBondContact CZ2-CE1 3.29Å; W60-H64 AromaticContact CZ2-NE2 3.78Å; W60-H64 AromaticContact CZ3-CE1 3.82Å; W60-H64 AromaticContact NE1-CE1 3.74Å; W60-H64 AromaticContact NE1-ND1 3.98Å; W60-H64 PolarHBondContact O-N 3.01Å; W60-H64 PolarHBondContact O-ND1 2.77Å; I61-H64 PolarHBondContact O-N 3.21Å; I61-H64 VanDerWaalsContact O-N 3.13Å; A62-H64 VanDerWaalsContact C-N 3.31Å; A62-H64 PolarHBondContact O-N 3.4Å; H64-V66 VanDerWaalsContact C-N 3.29Å; H64-V66 PolarHBondContact O-N 3.46Å; H64-D67 PolarHBondContact O-N 3.19Å; H64-F68 HydrophobicContact CB-CD2 4.19Å; H64-F68 HydrophobicContact CB-CE2 4.13Å; H64-F68 WeakPolarHBondContact O-CB 3.03Å; H64-F68 WeakPolarHBondContact O-CD2 3.24Å; H64-F68 PolarHBondContact O-N 3.29Å; H64-H189 AromaticContact CD2-CE1 3.96Å; H64-F193 HydrophobicContact CB-CD1 4.27Å; H64-F193 HydrophobicContact CB-CD2 4.19Å; H64-F193 HydrophobicContact CB-CE1 3.64Å; H64-F193 HydrophobicContact CB-CE2 3.56Å; H64-F193 HydrophobicContact CB-CZ 3.27Å; H64-F193 AromaticContact CD2-CD2 3.47Å; H64-F193 VanDerWaalsContact CD2-CD2 3.47Å; H64-F193 WeakPolarHBondContact CD2-CD2 3.26Å; H64-F193 AromaticContact CD2-CE2 3.33Å; H64-F193 WeakPolarHBondContact CD2-CE2 3.44Å; H64-F193 AromaticContact CE1-CE2 3.99Å; H64-F193 AromaticContact CG-CD2 3.77Å; H64-F193 AromaticContact CG-CE2 3.15Å; H64-F193 AromaticContact CG-CZ 3.43Å; H64-F193 VanDerWaalsContact CG-CZ 3.43Å; H64-F193 AromaticContact ND1-CE2 3.58Å; H64-F193 AromaticContact ND1-CZ 3.95Å; H64-F193 AromaticContact NE2-CE2 3.88Å
65V98.3Very high95.7Very high0 Ų016.3 Ų16.30%08%0.082CC..Hα-helixtrans-56.1-47.1173.3169.80000110.3I61 A62 Y69 I130 F136 V152 I155 F156I61-V65 HydrophobicContact CG2-CG2 4.23Å; I61-V65 WeakPolarHBondContact O-CG2 3.46Å; I61-V65 PolarHBondContact O-N 3.33Å; A62-V65 PolarHBondContact O-N 2.92Å; V65-Y69 VanDerWaalsContact O-CB 3.25Å; V65-Y69 WeakPolarHBondContact O-CB 3.35Å; V65-Y69 PolarHBondContact O-N 3.07Å; V65-I130 HydrophobicContact CG1-CG2 3.72Å; V65-F136 HydrophobicContact CB-CE1 4.14Å; V65-F136 HydrophobicContact CG1-CE1 4Å; V65-F136 HydrophobicContact CG1-CZ 4.01Å; V65-F136 HydrophobicContact CG2-CE1 4.35Å; V65-V152 HydrophobicContact CG2-CG1 4Å; V65-V152 HydrophobicContact CG2-CG2 4.18Å; V65-I155 HydrophobicContact CG1-CD1 4.28Å; V65-I155 HydrophobicContact CG1-CG2 4.02Å; V65-F156 HydrophobicContact CB-CZ 4.39Å; V65-F156 HydrophobicContact CG2-CD2 4.33Å; V65-F156 HydrophobicContact CG2-CE2 3.46Å; V65-F156 VanDerWaalsContact CG2-CE2 3.46Å; V65-F156 HydrophobicContact CG2-CZ 3.66Å
66V96.3Very high95.9Very high9 Ų913.9 Ų13.96%0.0557%0.07CC..Hα-helixtrans-69.5-38.7178.91760000111.9K20 F22 A62 V63 H64 N70 I130K20-V66 HydrophobicContact CB-CG1 4.08Å; F22-V66 HydrophobicContact CE1-CB 3.81Å; F22-V66 HydrophobicContact CE1-CG1 3.82Å; F22-V66 HydrophobicContact CE1-CG2 4.14Å; F22-V66 HydrophobicContact CE2-CG1 4.07Å; F22-V66 HydrophobicContact CZ-CB 3.56Å; F22-V66 HydrophobicContact CZ-CG1 3.49Å; F22-V66 VanDerWaalsContact CZ-CG1 3.49Å; F22-V66 HydrophobicContact CZ-CG2 4.39Å; A62-V66 PolarHBondContact O-N 2.94Å; V63-V66 PolarHBondContact O-N 3.33Å; H64-V66 VanDerWaalsContact C-N 3.29Å; H64-V66 PolarHBondContact O-N 3.46Å; V66-N70 WeakPolarHBondContact O-CB 3.4Å; V66-N70 VanDerWaalsContact O-CG 3.32Å; V66-N70 PolarHBondContact O-N 2.99Å; V66-N70 PolarHBondContact O-ND2 3Å; V66-I130 HydrophobicContact CG2-CB 4.25Å; V66-I130 HydrophobicContact CG2-CD1 4.36Å; V66-I130 HydrophobicContact CG2-CG2 4.41Å
67D95.2Very high96Very high15 Ų1510.8 Ų10.88%0.086%0.059CC..Hα-helixtrans-61.3-51.4175.3-175.456.7000111.5V63 H64 Y69 N70 R71V63-D67 PolarHBondContact O-N 3.08Å; H64-D67 PolarHBondContact O-N 3.19Å; D67-Y69 PolarHBondContact O-N 2.87Å; D67-N70 PolarHBondContact O-N 3.49Å; D67-R71 WeakPolarHBondContact O-CD 3.42Å; D67-R71 VanDerWaalsContact O-CG 3.26Å; D67-R71 WeakPolarHBondContact O-CG 3.44Å; D67-R71 PolarHBondContact O-N 2.89Å; D67-R71 WeakPolarHBondContact OD2-CD 2.64Å; D67-R71 IonicContact OD2-CZ 3.97Å; D67-R71 IonicContact OD2-NE 3.52Å; D67-R71 IonicContact OD2-NH1 3.01Å; D67-R71 PolarHBondContact OD2-NH1 3.47Å
68F97.7Very high95.8Very high0 Ų07.5 Ų7.50%04%0.041CC..Hα-helixtrans-65.6-40.2179.4-73.4-59.8000112.3H64 N70 R71 I72 F156 H189 F190 F193H64-F68 HydrophobicContact CB-CD2 4.19Å; H64-F68 HydrophobicContact CB-CE2 4.13Å; H64-F68 WeakPolarHBondContact O-CB 3.03Å; H64-F68 WeakPolarHBondContact O-CD2 3.24Å; H64-F68 PolarHBondContact O-N 3.29Å; F68-N70 VanDerWaalsContact C-N 3.34Å; F68-N70 PolarHBondContact O-N 2.91Å; F68-R71 PolarHBondContact O-N 3.3Å; F68-I72 HydrophobicContact CB-CD1 4.49Å; F68-I72 WeakPolarHBondContact O-CB 3.41Å; F68-I72 WeakPolarHBondContact O-CG1 3.32Å; F68-I72 PolarHBondContact O-N 2.9Å; F68-F156 HydrophobicContact CB-CE1 4.06Å; F68-F156 AromaticContact CD2-CE1 3.53Å; F68-F156 HydrophobicContact CD2-CE1 3.53Å; F68-F156 AromaticContact CD2-CZ 3.9Å; F68-F156 HydrophobicContact CD2-CZ 3.9Å; F68-F156 HydrophobicContact CE2-CE1 4.33Å; F68-F156 HydrophobicContact CG-CE1 4.09Å; F68-H189 HydrophobicContact CE1-CB 4.17Å; F68-H189 AromaticContact CE1-CE1 3.99Å; F68-H189 AromaticContact CE1-CG 3.88Å; F68-H189 AromaticContact CE1-ND1 3.29Å; F68-H189 VanDerWaalsContact CE1-ND1 3.29Å; F68-H189 WeakPolarHBondContact CE1-ND1 3.43Å; F68-H189 HydrophobicContact CZ-CB 4.35Å; F68-H189 AromaticContact CZ-CE1 3.47Å; F68-H189 VanDerWaalsContact CZ-CE1 3.47Å; F68-H189 WeakPolarHBondContact CZ-CE1 3.19Å; F68-H189 AromaticContact CZ-CG 3.71Å; F68-H189 AromaticContact CZ-ND1 3.19Å; F68-H189 WeakPolarHBondContact CZ-ND1 3.45Å; F68-F190 HydrophobicContact CB-CD2 4.25Å; F68-F190 HydrophobicContact CD1-CB 3.99Å; F68-F190 AromaticContact CD1-CD2 3.8Å; F68-F190 HydrophobicContact CD1-CD2 3.8Å; F68-F190 HydrophobicContact CD1-CG 4.4Å; F68-F190 HydrophobicContact CD2-CD2 4.44Å; F68-F190 HydrophobicContact CE1-CB 3.65Å; F68-F190 HydrophobicContact CE1-CD2 4.24Å; F68-F190 HydrophobicContact CE1-CG 4.43Å; F68-F190 VanDerWaalsContact CE1-N 3.35Å; F68-F190 AromaticContact CG-CD2 3.92Å; F68-F190 HydrophobicContact CG-CD2 3.92Å; F68-F190 VanDerWaalsContact CZ-CA 3.45Å; F68-F190 HydrophobicContact CZ-CB 4.21Å; F68-F193 HydrophobicContact CD2-CD1 4.49Å; F68-F193 HydrophobicContact CE2-CB 3.73Å; F68-F193 AromaticContact CE2-CD1 3.82Å; F68-F193 HydrophobicContact CE2-CD1 3.82Å; F68-F193 HydrophobicContact CE2-CD2 4.3Å; F68-F193 AromaticContact CE2-CG 3.68Å; F68-F193 HydrophobicContact CE2-CG 3.68Å; F68-F193 HydrophobicContact CZ-CB 3.87Å; F68-F193 HydrophobicContact CZ-CG 4.28Å
69Y97.8Very high95.6Very high0 Ų05.7 Ų5.70%03%0.032CC..Hα-helixtrans-53.5-52.4171.5167.7-99.1000111.1K20 V65 D67 R71 I72 N73 M123 V126 D127 I130K20-Y69 HydrophobicContact CG-CD1 4.34Å; K20-Y69 HydrophobicContact CG-CE1 3.93Å; V65-Y69 VanDerWaalsContact O-CB 3.25Å; V65-Y69 WeakPolarHBondContact O-CB 3.35Å; V65-Y69 PolarHBondContact O-N 3.07Å; D67-Y69 PolarHBondContact O-N 2.87Å; Y69-R71 VanDerWaalsContact C-N 3.33Å; Y69-R71 PolarHBondContact O-N 3Å; Y69-I72 PolarHBondContact O-N 2.91Å; Y69-N73 WeakPolarHBondContact O-CB 3.14Å; Y69-N73 PolarHBondContact O-N 3.39Å; Y69-M123 HydrophobicContact CD2-SD 4.13Å; Y69-M123 HydrophobicContact CE2-CB 4.41Å; Y69-M123 HydrophobicContact CE2-SD 3.75Å; Y69-V126 HydrophobicContact CD2-CB 3.9Å; Y69-V126 HydrophobicContact CD2-CG1 3.45Å; Y69-V126 VanDerWaalsContact CD2-CG1 3.45Å; Y69-V126 HydrophobicContact CE2-CB 4.07Å; Y69-V126 HydrophobicContact CE2-CG1 4.05Å; Y69-V126 HydrophobicContact CG-CG1 4.09Å; Y69-D127 PolarHBondContact OH-OD1 3.06Å; Y69-I130 HydrophobicContact CD1-CD1 3.81Å; Y69-I130 HydrophobicContact CE1-CD1 4.08Å; Y69-I130 HydrophobicContact CG-CD1 4.16Å
70N95.6Very high95.6Very high6 Ų66.4 Ų6.43%0.0324%0.039CC..Hα-helixtrans-60.5-41.8-179.7-80.6-36000112.7K19 K20 V66 D67 F68 L74K19-N70 HydrophobicContact CG-CB 4.14Å; K19-N70 WeakPolarHBondContact CG-OD1 3.09Å; K20-N70 PolarHBondContact N-OD1 3.12Å; K20-N70 PolarHBondContact O-ND2 3.43Å; V66-N70 WeakPolarHBondContact O-CB 3.4Å; V66-N70 VanDerWaalsContact O-CG 3.32Å; V66-N70 PolarHBondContact O-N 2.99Å; V66-N70 PolarHBondContact O-ND2 3Å; D67-N70 PolarHBondContact O-N 3.49Å; F68-N70 VanDerWaalsContact C-N 3.34Å; F68-N70 PolarHBondContact O-N 2.91Å; N70-L74 WeakPolarHBondContact O-CB 3.29Å; N70-L74 PolarHBondContact O-N 2.86Å; N70-L74 VanDerWaalsContact O-N 3.09Å
71R95.2Very high95.5Very high11 Ų1110.6 Ų10.64%0.0426%0.061CC..Hα-helixtrans-72.1-40.7-178.1-68.9165.567.3171.55.1111.9F6 D67 F68 Y69 L74 I75 C186 H189F6-R71 HydrophobicContact CE1-CB 4.47Å; F6-R71 HydrophobicContact CE1-CG 4.1Å; F6-R71 HydrophobicContact CZ-CB 4.22Å; F6-R71 HydrophobicContact CZ-CG 4.26Å; D67-R71 WeakPolarHBondContact O-CD 3.42Å; D67-R71 VanDerWaalsContact O-CG 3.26Å; D67-R71 WeakPolarHBondContact O-CG 3.44Å; D67-R71 PolarHBondContact O-N 2.89Å; D67-R71 WeakPolarHBondContact OD2-CD 2.64Å; D67-R71 IonicContact OD2-CZ 3.97Å; D67-R71 IonicContact OD2-NE 3.52Å; D67-R71 IonicContact OD2-NH1 3.01Å; D67-R71 PolarHBondContact OD2-NH1 3.47Å; F68-R71 PolarHBondContact O-N 3.3Å; Y69-R71 VanDerWaalsContact C-N 3.33Å; Y69-R71 PolarHBondContact O-N 3Å; R71-L74 WeakPolarHBondContact O-CB 3.49Å; R71-L74 PolarHBondContact O-N 3.45Å; R71-I75 VanDerWaalsContact O-CG1 3.27Å; R71-I75 WeakPolarHBondContact O-CG1 3.46Å; R71-I75 PolarHBondContact O-N 3.2Å; R71-C186 PolarHBondContact NE-SG 3.16Å; R71-H189 PolarHBondContact NH1-ND1 3.2Å
72I97Very high95.3Very high1 Ų117.4 Ų17.41%0.0059%0.087CC..Hα-helixtrans-69.5-38.9176.8-64.5169.3000110.5F68 Y69 L74 I75 Y76 M123 L159 V162 F163 F190F68-I72 HydrophobicContact CB-CD1 4.49Å; F68-I72 WeakPolarHBondContact O-CB 3.41Å; F68-I72 WeakPolarHBondContact O-CG1 3.32Å; F68-I72 PolarHBondContact O-N 2.9Å; Y69-I72 PolarHBondContact O-N 2.91Å; I72-L74 PolarHBondContact O-N 3.15Å; I72-I75 PolarHBondContact O-N 3.16Å; I72-Y76 PolarHBondContact O-N 3.42Å; I72-M123 HydrophobicContact CG2-CE 3.97Å; I72-L159 HydrophobicContact CD1-CB 3.71Å; I72-L159 HydrophobicContact CD1-CD1 4.23Å; I72-L159 HydrophobicContact CD1-CD2 4.19Å; I72-L159 HydrophobicContact CD1-CG 4.26Å; I72-L159 HydrophobicContact CG2-CD2 4.34Å; I72-V162 HydrophobicContact CG2-CB 3.65Å; I72-V162 HydrophobicContact CG2-CG1 3.61Å; I72-V162 HydrophobicContact CG2-CG2 4.06Å; I72-F163 HydrophobicContact CD1-CD2 4.17Å; I72-F163 HydrophobicContact CD1-CE2 3.55Å; I72-F163 HydrophobicContact CD1-CZ 4.2Å; I72-F163 HydrophobicContact CG1-CD2 4.46Å; I72-F163 HydrophobicContact CG1-CE2 3.7Å; I72-F163 HydrophobicContact CG1-CZ 3.84Å; I72-F190 HydrophobicContact CD1-CD2 4.14Å; I72-F190 HydrophobicContact CD1-CE2 3.99Å
73N95Very high95.3Very high0 Ų017.6 Ų17.60%09%0.088CC..Hα-helixtrans-59.4-34.9172.2175.956.9000112.3F16 R17 Y69 G77 M123F16-N73 WeakPolarHBondContact CB-OD1 3.49Å; R17-N73 WeakPolarHBondContact CB-OD1 3.43Å; R17-N73 PolarHBondContact N-ND2 3.28Å; R17-N73 PolarHBondContact N-OD1 3.24Å; R17-N73 PolarHBondContact O-ND2 3.36Å; Y69-N73 WeakPolarHBondContact O-CB 3.14Å; Y69-N73 PolarHBondContact O-N 3.39Å; N73-G77 PolarHBondContact O-N 3.3Å; N73-G77 VanDerWaalsContact O-N 3.09Å; N73-M123 HydrophobicContact CB-CE 4.27Å; N73-M123 HydrophobicContact CB-SD 4.12Å
74L93.5Very high95.4Very high22 Ų2219.7 Ų19.712%0.11510%0.101CC..Hα-helixtrans-73.3-43.8174.1-17563.1000112.6F6 F10 T15 N70 R71 I72 Y76 G77 T78F6-L74 HydrophobicContact CD1-CD2 4.3Å; F6-L74 HydrophobicContact CE1-CD2 3.65Å; F6-L74 HydrophobicContact CZ-CD2 4.33Å; F10-L74 HydrophobicContact CB-CD1 3.63Å; F10-L74 HydrophobicContact CB-CD2 3.34Å; F10-L74 HydrophobicContact CB-CG 3.58Å; F10-L74 HydrophobicContact CD1-CD1 4.46Å; F10-L74 HydrophobicContact CD1-CD2 4.41Å; F10-L74 HydrophobicContact CD1-CG 4.03Å; F10-L74 HydrophobicContact CD2-CD2 3.66Å; F10-L74 HydrophobicContact CD2-CG 4.14Å; F10-L74 HydrophobicContact CG-CD1 4.18Å; F10-L74 HydrophobicContact CG-CD2 3.56Å; F10-L74 HydrophobicContact CG-CG 3.67Å; T15-L74 HydrophobicContact CG2-CB 4.4Å; T15-L74 HydrophobicContact CG2-CD1 3.49Å; T15-L74 VanDerWaalsContact CG2-CD1 3.49Å; T15-L74 HydrophobicContact CG2-CG 4.48Å; N70-L74 WeakPolarHBondContact O-CB 3.29Å; N70-L74 PolarHBondContact O-N 2.86Å; N70-L74 VanDerWaalsContact O-N 3.09Å; R71-L74 WeakPolarHBondContact O-CB 3.49Å; R71-L74 PolarHBondContact O-N 3.45Å; I72-L74 PolarHBondContact O-N 3.15Å; L74-Y76 VanDerWaalsContact C-N 3.29Å; L74-Y76 PolarHBondContact O-N 3.26Å; L74-G77 PolarHBondContact O-N 2.88Å; L74-G77 VanDerWaalsContact O-N 3.15Å; L74-T78 VanDerWaalsContact O-CG2 3.29Å; L74-T78 WeakPolarHBondContact O-CG2 3.39Å; L74-T78 PolarHBondContact O-N 2.93Å
75I94.8Very high95.4Very high1 Ų123.1 Ų23.11%0.00512%0.122CC..Hα-helixtrans-58.5-42.3174.4-68.7164.3000110.6R71 I72 T78 F163 V166 V183 C186R71-I75 VanDerWaalsContact O-CG1 3.27Å; R71-I75 WeakPolarHBondContact O-CG1 3.46Å; R71-I75 PolarHBondContact O-N 3.2Å; I72-I75 PolarHBondContact O-N 3.16Å; I75-T78 PolarHBondContact O-N 3.36Å; I75-T78 PolarHBondContact O-OG1 3.03Å; I75-F163 HydrophobicContact CD1-CE1 3.82Å; I75-F163 HydrophobicContact CD1-CZ 4.23Å; I75-V166 HydrophobicContact CG2-CG1 4.14Å; I75-V166 HydrophobicContact CG2-CG2 4.37Å; I75-V183 HydrophobicContact CD1-CG1 4.28Å; I75-V183 HydrophobicContact CG1-CG2 4.22Å; I75-V183 HydrophobicContact CG2-CG1 4.21Å; I75-V183 HydrophobicContact CG2-CG2 4.11Å; I75-C186 HydrophobicContact CD1-CB 3.85Å
76Y95.9Very high95.4Very high4 Ų430.7 Ų30.72%0.01616%0.157CC..Hα-helixtrans-68-38.1176.8-175.8-112000112F16 I72 L74 T78 I79 C80 C83 P116 I119F16-Y76 HydrophobicContact CB-CD1 4.07Å; F16-Y76 AromaticContact CD1-CD1 3.77Å; F16-Y76 HydrophobicContact CD1-CD1 3.77Å; F16-Y76 HydrophobicContact CD1-CE1 4.13Å; F16-Y76 HydrophobicContact CD2-CD1 4.05Å; F16-Y76 AromaticContact CD2-CE1 3.96Å; F16-Y76 HydrophobicContact CD2-CE1 3.96Å; F16-Y76 HydrophobicContact CE1-CD1 4.19Å; F16-Y76 HydrophobicContact CE1-CE1 4.13Å; F16-Y76 HydrophobicContact CE2-CD1 4.44Å; F16-Y76 AromaticContact CE2-CE1 3.96Å; F16-Y76 HydrophobicContact CE2-CE1 3.96Å; F16-Y76 AromaticContact CG-CD1 3.69Å; F16-Y76 HydrophobicContact CG-CD1 3.69Å; F16-Y76 HydrophobicContact CG-CE1 4.05Å; F16-Y76 HydrophobicContact CZ-CE1 4.04Å; I72-Y76 PolarHBondContact O-N 3.42Å; L74-Y76 VanDerWaalsContact C-N 3.29Å; L74-Y76 PolarHBondContact O-N 3.26Å; Y76-T78 PolarHBondContact O-N 3.46Å; Y76-I79 HydrophobicContact CD2-CD1 3.43Å; Y76-I79 VanDerWaalsContact CD2-CD1 3.43Å; Y76-I79 HydrophobicContact CD2-CG1 4.29Å; Y76-I79 HydrophobicContact CE2-CD1 3.45Å; Y76-I79 VanDerWaalsContact CE2-CD1 3.45Å; Y76-I79 HydrophobicContact CG-CD1 4.46Å; Y76-I79 PolarHBondContact O-N 3.25Å; Y76-I79 VanDerWaalsContact O-N 3.1Å; Y76-C80 HydrophobicContact CD1-CB 4.19Å; Y76-C80 HydrophobicContact CE1-CB 3.78Å; Y76-C80 WeakPolarHBondContact O-CB 3.26Å; Y76-C80 PolarHBondContact O-N 2.95Å; Y76-C83 HydrophobicContact CE2-CB 4.07Å; Y76-P116 WeakPolarHBondContact OH-CA 3.38Å; Y76-I119 HydrophobicContact CD1-CG2 3.55Å; Y76-I119 HydrophobicContact CD2-CD1 3.66Å; Y76-I119 HydrophobicContact CD2-CG2 3.94Å; Y76-I119 HydrophobicContact CE1-CB 4.21Å; Y76-I119 HydrophobicContact CE1-CG2 3.62Å; Y76-I119 HydrophobicContact CE2-CB 4.27Å; Y76-I119 HydrophobicContact CE2-CD1 3.31Å; Y76-I119 HydrophobicContact CE2-CG1 4.36Å; Y76-I119 HydrophobicContact CE2-CG2 4.03Å; Y76-I119 HydrophobicContact CG-CG2 3.72Å
77G93.8Very high95.4Very high11 Ų1134.2 Ų34.211%0.11318%0.179CC..Hα-helixtrans-57.8-19.717600000114.7N73 L74 C80N73-G77 PolarHBondContact O-N 3.3Å; N73-G77 VanDerWaalsContact O-N 3.09Å; L74-G77 PolarHBondContact O-N 2.88Å; L74-G77 VanDerWaalsContact O-N 3.15Å; G77-C80 PolarHBondContact O-SG 2.95Å
78T91.6Very high95.5Very high1 Ų133.8 Ų33.81%0.00618%0.177CC..THydrogen-bonded Turntrans-85.7-16.4179.769.20000114.9F10 Q13 L74 I75 Y76F10-T78 HydrophobicContact CD1-CG2 3.24Å; F10-T78 HydrophobicContact CE1-CG2 3.19Å; F10-T78 HydrophobicContact CZ-CG2 4.47Å; Q13-T78 HydrophobicContact CB-CG2 4.3Å; L74-T78 VanDerWaalsContact O-CG2 3.29Å; L74-T78 WeakPolarHBondContact O-CG2 3.39Å; L74-T78 PolarHBondContact O-N 2.93Å; I75-T78 PolarHBondContact O-N 3.36Å; I75-T78 PolarHBondContact O-OG1 3.03Å; Y76-T78 PolarHBondContact O-N 3.46Å
79I93.3Very high95.5Very high0 Ų037.5 Ų37.50%020%0.201CC..THydrogen-bonded Turntrans-122-6.6-17764.274.7000112.6Y76 D81 R82 C83 V166 H170 R173 L174Y76-I79 HydrophobicContact CD2-CD1 3.43Å; Y76-I79 VanDerWaalsContact CD2-CD1 3.43Å; Y76-I79 HydrophobicContact CD2-CG1 4.29Å; Y76-I79 HydrophobicContact CE2-CD1 3.45Å; Y76-I79 VanDerWaalsContact CE2-CD1 3.45Å; Y76-I79 HydrophobicContact CG-CD1 4.46Å; Y76-I79 PolarHBondContact O-N 3.25Å; Y76-I79 VanDerWaalsContact O-N 3.1Å; I79-D81 PolarHBondContact O-N 2.88Å; I79-R82 PolarHBondContact O-N 3.42Å; I79-C83 HydrophobicContact CD1-CB 3.83Å; I79-C83 PolarHBondContact O-N 3.08Å; I79-V166 HydrophobicContact CD1-CG2 4.38Å; I79-V166 HydrophobicContact CG1-CG2 4.17Å; I79-H170 HydrophobicContact CB-CB 4.14Å; I79-H170 HydrophobicContact CG1-CB 4.29Å; I79-H170 HydrophobicContact CG2-CB 4.12Å; I79-R173 HydrophobicContact CB-CG 4.44Å; I79-R173 HydrophobicContact CG2-CB 4.3Å; I79-R173 HydrophobicContact CG2-CG 3.8Å; I79-L174 HydrophobicContact CG2-CD2 3.94Å
80C94.4Very high95.5Very high45 Ų4539.9 Ų39.930%0.30422%0.216SC..THydrogen-bonded Turntrans-62.9-26.3-17266.20000113.2F16 Y76 G77 R82 C83F16-C80 HydrophobicContact CD2-CB 4.46Å; Y76-C80 HydrophobicContact CD1-CB 4.19Å; Y76-C80 HydrophobicContact CE1-CB 3.78Å; Y76-C80 WeakPolarHBondContact O-CB 3.26Å; Y76-C80 PolarHBondContact O-N 2.95Å; G77-C80 PolarHBondContact O-SG 2.95Å; C80-R82 PolarHBondContact O-N 3.19Å; C80-C83 PolarHBondContact O-N 2.85Å
81D92.1Very high95.6Very high90 Ų9039.7 Ų39.748%0.48122%0.215SC..THydrogen-bonded Turntrans-66.7-21.3173.568.8-51.3000113.1I79I79-D81 PolarHBondContact O-N 2.88Å
82R94.3Very high95.7Very high146 Ų14639.6 Ų39.655%0.55122%0.216SC*.THydrogen-bonded Turntrans-107-13.7177.9-56.8-56.6-178.8152.46.5113.6I79 C80 T84 T87I79-R82 PolarHBondContact O-N 3.42Å; C80-R82 PolarHBondContact O-N 3.19Å; R82-T84 PolarHBondContact O-N 2.82Å; R82-T87 PolarHBondContact O-OG1 3.24Å
83C97.2Very high95.4Very high4 Ų439.9 Ų39.93%0.02722%0.219CC..  trans-86.489173.3-170.40000109.5Y76 I79 C80 P116 H165 H170Y76-C83 HydrophobicContact CE2-CB 4.07Å; I79-C83 HydrophobicContact CD1-CB 3.83Å; I79-C83 PolarHBondContact O-N 3.08Å; C80-C83 PolarHBondContact O-N 2.85Å; C83-P116 WeakPolarHBondContact O-CB 3.46Å; C83-H165 PolarHBondContact SG-NE2 3.4Å; C83-H170 WeakPolarHBondContact CB-NE2 3.44Å
84T97.3Very high95.1Very high45 Ų4541.2 Ų41.228%0.27623%0.233SC..  trans-113.6167.4-177.1690000110.7R82 Q86 T87 C88R82-T84 PolarHBondContact O-N 2.82Å; T84-Q86 PolarHBondContact O-N 3.32Å; T84-Q86 PolarHBondContact OG1-N 2.89Å; T84-T87 PolarHBondContact N-OG1 2.87Å; T84-T87 PolarHBondContact O-N 2.86Å; T84-T87 PolarHBondContact O-OG1 3.37Å; T84-T87 PolarHBondContact OG1-N 3Å; T84-T87 PolarHBondContact OG1-OG1 2.75Å; T84-C88 CarbonylContact O-C 3.57Å; T84-C88 WeakPolarHBondContact O-CA 3.35Å; T84-C88 PolarHBondContact O-N 2.79Å
85V97.9Very high94.7Very high74 Ų7450.8 Ų50.845%0.44827%0.274SS..THydrogen-bonded Turntrans-61.7-29.9174.2178.10000111.2P89 P114 P116V85-P89 WeakPolarHBondContact O-CA 3.27Å; V85-P89 WeakPolarHBondContact O-CB 3.49Å; V85-P114 HydrophobicContact CB-CB 4.34Å; V85-P114 HydrophobicContact CG1-CB 4.13Å; V85-P114 HydrophobicContact CG1-CG 3.85Å; V85-P114 HydrophobicContact CG2-CB 3.97Å; V85-P114 HydrophobicContact CG2-CG 4.16Å; V85-P116 HydrophobicContact CG2-CG 4.28Å
86Q97.4Very high94.4Very high159 Ų15959.1 Ų59.174%0.74331%0.31SS*.THydrogen-bonded Turntrans-76.7-43179.7-667222.800111.9T84T84-Q86 PolarHBondContact O-N 3.32Å; T84-Q86 PolarHBondContact OG1-N 2.89Å
87T96.6Very high94.3Very high84 Ų8461.7 Ų61.752%0.51532%0.321SS..THydrogen-bonded Turntrans-80.7-30.2-179.752.90000112.6R82 T84R82-T87 PolarHBondContact O-OG1 3.24Å; T84-T87 PolarHBondContact N-OG1 2.87Å; T84-T87 PolarHBondContact O-N 2.86Å; T84-T87 PolarHBondContact O-OG1 3.37Å; T84-T87 PolarHBondContact OG1-N 3Å; T84-T87 PolarHBondContact OG1-OG1 2.75Å
88C97.7Very high94.5Very high5 Ų566.3 Ų66.33%0.03434%0.34CS..  trans-133.865.8-176.5-53.40000111.1T84 T90 A115 H170T84-C88 CarbonylContact O-C 3.57Å; T84-C88 WeakPolarHBondContact O-CA 3.35Å; T84-C88 PolarHBondContact O-N 2.79Å; C88-T90 PolarHBondContact O-N 2.83Å; C88-T90 VanDerWaalsContact O-N 3.12Å; C88-A115 HydrophobicContact CB-CB 3.6Å; C88-A115 PolarHBondContact O-N 3.2Å; C88-H170 PolarHBondContact SG-NE2 3.36Å; C88-H170 VanDerWaalsContact SG-NE2 3.43Å
89P97.5Very high94.8Very high78 Ų7867.4 Ų67.451%0.50634%0.344SS..SBendtrans-66.5-14-175.127.9-36.5000114V85 P114V85-P89 WeakPolarHBondContact O-CA 3.27Å; V85-P89 WeakPolarHBondContact O-CB 3.49Å; P89-P114 VanDerWaalsContact O-CA 3.28Å; P89-P114 WeakPolarHBondContact O-CA 3.34Å
90T97.4Very high95Very high51 Ų5171.1 Ų71.131%0.31336%0.361SS..SBendtrans-135.4145.8174.6630000110.7C88 S92C88-T90 PolarHBondContact O-N 2.83Å; C88-T90 VanDerWaalsContact O-N 3.12Å; T90-S92 PolarHBondContact O-N 3.24Å
91M98.3Very high95.1Very high1 Ų169.1 Ų69.11%0.00535%0.347CS..  trans-75.3107.9167.3-174.465.6-17800109.6Y99 L113 A115 Y118 I119 R161 H165M91-Y99 HydrophobicContact CG-CD2 4.06Å; M91-Y99 PolarHBondContact O-N 3.34Å; M91-L113 PolarHBondContact N-O 2.86Å; M91-A115 HydrophobicContact SD-CB 3.86Å; M91-Y118 HydrophobicContact CB-CD1 4.27Å; M91-Y118 HydrophobicContact CB-CD2 3.75Å; M91-Y118 HydrophobicContact CB-CE2 4.47Å; M91-Y118 HydrophobicContact CB-CG 3.65Å; M91-Y118 HydrophobicContact CE-CD1 4.03Å; M91-Y118 HydrophobicContact CE-CE1 4.22Å; M91-Y118 HydrophobicContact CG-CD1 3.56Å; M91-Y118 HydrophobicContact CG-CD2 3.79Å; M91-Y118 HydrophobicContact CG-CE1 4.03Å; M91-Y118 HydrophobicContact CG-CE2 4.2Å; M91-Y118 HydrophobicContact CG-CG 3.48Å; M91-Y118 VanDerWaalsContact CG-CG 3.48Å; M91-Y118 HydrophobicContact SD-CD1 3.91Å; M91-Y118 HydrophobicContact SD-CG 4.18Å; M91-I119 HydrophobicContact CE-CD1 4.25Å; M91-I119 HydrophobicContact CE-CG1 4.08Å; M91-I119 HydrophobicContact SD-CD1 4.13Å; M91-I119 HydrophobicContact SD-CG1 4.04Å; M91-R161 HydrophobicContact CE-CB 3.88Å; M91-R161 VanDerWaalsContact CE-O 3.23Å; M91-R161 WeakPolarHBondContact CE-O 3.42Å; M91-H165 HydrophobicContact CE-CB 3.65Å; M91-H165 HydrophobicContact SD-CB 4.09Å
92S96.9Very high95.4Very high9 Ų970.3 Ų70.36%0.06335%0.345CS..EExtended strand (participates in β ladder)trans-148.3156.2-173.461.70000114T90 F97 H169T90-S92 PolarHBondContact O-N 3.24Å; S92-F97 CarbonylContact C-O 3.43Å; S92-F97 WeakPolarHBondContact CA-O 3.37Å; S92-F97 WeakPolarHBondContact CB-O 3.35Å; S92-H169 PolarHBondContact O-CD2 3.37Å; S92-H169 VanDerWaalsContact O-CD2 3.3Å; S92-H169 PolarHBondContact O-NE2 3.4Å; S92-H169 PolarHBondContact OG-NE2 3.27Å; S92-H169 VanDerWaalsContact OG-NE2 3.1Å
93G90.9Very high95.3Very high8 Ų864.1 Ų64.18%0.08232%0.323CS..EExtended strand (participates in β ladder)trans-104.671.9162.500000110.6F97G93-F97 PolarHBondContact N-O 3.42Å
94G87.5Confident95Very high28 Ų2868.1 Ų68.129%0.28934%0.344SS..THydrogen-bonded Turntrans69.3-155.5-174.600000112.5K96G94-K96 PolarHBondContact O-N 2.91Å
95K85.2Confident94.7Very high223 Ų22371.5 Ų71.597%0.9736%0.359SS*.THydrogen-bonded Turntrans-76.4-18.8-173.8-63.2-176.1-179.1179.90114.5
96K89.4Confident94.5Very high176 Ų17675.3 Ų75.377%0.76537%0.372SS*.THydrogen-bonded Turntrans-92.6-27.2-171.9-69.4-176.2179.2179.30113.6G94G94-K96 PolarHBondContact O-N 2.91Å
97F94.2Very high94.3Very high58 Ų5869.7 Ų69.725%0.25434%0.344SS..EExtended strand (participates in β ladder)trans-121.8106.2-172.3-59.8-72.9000110S92 G93 Y99 E206 P207S92-F97 CarbonylContact C-O 3.43Å; S92-F97 WeakPolarHBondContact CA-O 3.37Å; S92-F97 WeakPolarHBondContact CB-O 3.35Å; G93-F97 PolarHBondContact N-O 3.42Å; F97-Y99 HydrophobicContact CB-CE1 4.49Å; F97-Y99 HydrophobicContact CB-CE2 4.47Å; F97-E206 WeakPolarHBondContact CE2-OE2 3.39Å; F97-E206 WeakPolarHBondContact CZ-OE2 3.43Å; F97-P207 HydrophobicContact CB-CG 4.46Å; F97-P207 HydrophobicContact CD1-CG 3.77Å; F97-P207 HydrophobicContact CD2-CB 3.73Å; F97-P207 HydrophobicContact CD2-CG 3.73Å; F97-P207 HydrophobicContact CE1-CG 3.96Å; F97-P207 HydrophobicContact CE2-CB 4Å; F97-P207 HydrophobicContact CE2-CG 3.92Å; F97-P207 HydrophobicContact CG-CB 4.11Å; F97-P207 HydrophobicContact CG-CG 3.68Å; F97-P207 HydrophobicContact CZ-CG 4.08Å
98E96.7Very high94.2Very high108 Ų10872.9 Ų72.951%0.50535%0.351SS..EExtended strand (participates in β ladder)trans-109.1133.9170.4-168.4178.6141.800109.5H100E98-H100 IonicContact OE1-CD2 3.14Å; E98-H100 PolarHBondContact OE1-CD2 3.09Å; E98-H100 IonicContact OE1-CE1 3.88Å; E98-H100 IonicContact OE1-NE2 2.73Å; E98-H100 PolarHBondContact OE1-NE2 3.25Å
99Y97.7Very high94.2Very high24 Ų2480.5 Ų80.59%0.09438%0.383CS..  trans-111.3115.1-177-56-63.7000110.5M91 F97 R161 V164M91-Y99 HydrophobicContact CG-CD2 4.06Å; M91-Y99 PolarHBondContact O-N 3.34Å; F97-Y99 HydrophobicContact CB-CE1 4.49Å; F97-Y99 HydrophobicContact CB-CE2 4.47Å; Y99-R161 HydrophobicContact CD1-CG 3.9Å; Y99-R161 HydrophobicContact CD2-CB 4.04Å; Y99-R161 HydrophobicContact CD2-CG 4.12Å; Y99-R161 HydrophobicContact CE1-CG 3.86Å; Y99-R161 HydrophobicContact CE2-CB 4.01Å; Y99-R161 HydrophobicContact CE2-CG 4.06Å; Y99-R161 HydrophobicContact CG-CB 4.37Å; Y99-R161 HydrophobicContact CG-CG 4.02Å; Y99-V164 HydrophobicContact CE2-CB 4.47Å; Y99-V164 HydrophobicContact CE2-CG1 4.28Å
100H97.7Very high94.2Very high78 Ų7880.5 Ų80.536%0.36138%0.384SS..  trans-92140.6174.6-66177000111.1E98 P110 T111E98-H100 IonicContact OE1-CD2 3.14Å; E98-H100 PolarHBondContact OE1-CD2 3.09Å; E98-H100 IonicContact OE1-CE1 3.88Å; E98-H100 IonicContact OE1-NE2 2.73Å; E98-H100 PolarHBondContact OE1-NE2 3.25Å; H100-P110 HydrophobicContact CB-CB 3.81Å; H100-T111 WeakPolarHBondContact CA-O 3.44Å
101W98.2Very high94.2Very high2 Ų280 Ų801%0.00838%0.381CS..BIsolated β-bridgetrans-83.1142.9177.2-175.4-105.9000111.2D103 Y107 P110 T111 L113 Y118 E121 L122 W125 R158W101-D103 HydrophobicContact CZ2-CB 4.17Å; W101-D103 PolarHBondContact NE1-OD2 2.87Å; W101-Y107 AromaticContact CD1-CD2 3.32Å; W101-Y107 AromaticContact CD1-CE2 3.98Å; W101-Y107 AromaticContact CD1-CG 3.51Å; W101-Y107 AromaticContact NE1-CD2 3.58Å; W101-P110 WeakPolarHBondContact O-CA 3.39Å; W101-T111 PolarHBondContact N-O 2.89Å; W101-T111 PolarHBondContact O-N 3.37Å; W101-L113 HydrophobicContact CB-CD1 3.44Å; W101-L113 VanDerWaalsContact CB-CD1 3.44Å; W101-L113 HydrophobicContact CB-CG 4.07Å; W101-L113 HydrophobicContact CG-CD1 3.8Å; W101-Y118 HydrophobicContact CB-CD2 3.91Å; W101-Y118 HydrophobicContact CB-CE2 4.01Å; W101-Y118 HydrophobicContact CE3-CD1 4.46Å; W101-Y118 HydrophobicContact CE3-CD2 4.09Å; W101-Y118 HydrophobicContact CE3-CE1 4.12Å; W101-Y118 AromaticContact CE3-CE2 3.75Å; W101-Y118 HydrophobicContact CE3-CE2 3.75Å; W101-Y118 HydrophobicContact CE3-CG 4.42Å; W101-Y118 AromaticContact CE3-CZ 3.73Å; W101-Y118 HydrophobicContact CZ3-CE1 4.33Å; W101-E121 HydrophobicContact CD2-CB 4.06Å; W101-E121 HydrophobicContact CE3-CB 4.44Å; W101-E121 HydrophobicContact CH2-CB 4.17Å; W101-E121 WeakPolarHBondContact CH2-O 3.38Å; W101-E121 HydrophobicContact CZ2-CB 3.74Å; W101-E121 HydrophobicContact CZ3-CB 4.49Å; W101-L122 HydrophobicContact CH2-CB 4.24Å; W101-L122 HydrophobicContact CH2-CD1 4.42Å; W101-L122 HydrophobicContact CZ3-CB 3.84Å; W101-L122 HydrophobicContact CZ3-CD1 4.13Å; W101-W125 HydrophobicContact CH2-CB 3.7Å; W101-W125 HydrophobicContact CH2-CD2 4.47Å; W101-W125 HydrophobicContact CH2-CG 4.03Å; W101-W125 HydrophobicContact CZ2-CB 3.94Å; W101-W125 HydrophobicContact CZ2-CG 4.24Å; W101-R158 VanDerWaalsContact CH2-NH1 3.26Å
102R96.8Very high94.2Very high115 Ų11583.7 Ų83.743%0.43441%0.405SS..  trans-158.7121.7173.9-177-177.1175.5-172.9-2.4109.1N104 Y107 K108 R158R102-N104 VanDerWaalsContact CZ-OD1 3.23Å; R102-N104 PolarHBondContact NE-OD1 3.25Å; R102-N104 PolarHBondContact NH2-OD1 3.41Å; R102-Y107 WeakPolarHBondContact CA-O 3.48Å; R102-Y107 WeakPolarHBondContact CG-O 3.37Å; R102-K108 PolarHBondContact NE-O 2.98Å; R102-R158 PolarHBondContact O-NH2 3.3Å
103D93.8Very high94.2Very high16 Ų1683.9 Ų83.99%0.08641%0.405CS..  trans-117.5-7.5176.854.630.8000113.1W101 I105 H106 Y107W101-D103 HydrophobicContact CZ2-CB 4.17Å; W101-D103 PolarHBondContact NE1-OD2 2.87Å; D103-I105 PolarHBondContact O-N 3.27Å; D103-I105 WeakPolarHBondContact OD1-CA 3.42Å; D103-I105 PolarHBondContact OD1-N 3.41Å; D103-H106 PolarHBondContact OD1-N 3.43Å; D103-Y107 PolarHBondContact N-O 3.46Å; D103-Y107 VanDerWaalsContact N-O 3.11Å; D103-Y107 PolarHBondContact OD1-N 3.16Å; D103-Y107 WeakPolarHBondContact OD2-CD2 3.32Å
104N91Very high94.6Very high88 Ų8884.9 Ų84.947%0.47141%0.41SS..SBendtrans62.212.2-172.8-58.2-48.2000114.8R102 Y107R102-N104 VanDerWaalsContact CZ-OD1 3.23Å; R102-N104 PolarHBondContact NE-OD1 3.25Å; R102-N104 PolarHBondContact NH2-OD1 3.41Å; N104-Y107 PolarHBondContact N-O 3.42Å; N104-Y107 VanDerWaalsContact N-O 3.15Å
105I91Very high95.1Very high116 Ų11683.6 Ų83.660%0.59540%0.396SS*.SBendtrans-113.7-78.5176.4-56.7173000108.5D103D103-I105 PolarHBondContact O-N 3.27Å; D103-I105 WeakPolarHBondContact OD1-CA 3.42Å; D103-I105 PolarHBondContact OD1-N 3.41Å
106H91.8Very high95.7Very high155 Ų15574.1 Ų74.172%0.71836%0.357SS*.SBendtrans-86.2-33.6178.2-60.1-60.4000111.3D103D103-H106 PolarHBondContact OD1-N 3.43Å
107Y94.8Very high96.1Very high40 Ų4069.9 Ų69.916%0.15734%0.339CS..  trans-116.285.5179.8-65.6-85.6000110.1W101 R102 D103 N104 T111 L113 K117W101-Y107 AromaticContact CD1-CD2 3.32Å; W101-Y107 AromaticContact CD1-CE2 3.98Å; W101-Y107 AromaticContact CD1-CG 3.51Å; W101-Y107 AromaticContact NE1-CD2 3.58Å; R102-Y107 WeakPolarHBondContact CA-O 3.48Å; R102-Y107 WeakPolarHBondContact CG-O 3.37Å; D103-Y107 PolarHBondContact N-O 3.46Å; D103-Y107 VanDerWaalsContact N-O 3.11Å; D103-Y107 PolarHBondContact OD1-N 3.16Å; D103-Y107 WeakPolarHBondContact OD2-CD2 3.32Å; N104-Y107 PolarHBondContact N-O 3.42Å; N104-Y107 VanDerWaalsContact N-O 3.15Å; Y107-T111 HydrophobicContact CD1-CG2 3.89Å; Y107-T111 HydrophobicContact CE1-CG2 3.97Å; Y107-L113 HydrophobicContact CE1-CD1 4.42Å; Y107-L113 HydrophobicContact CE1-CD2 3.95Å; Y107-K117 WeakPolarHBondContact OH-CE 3.29Å; Y107-K117 PolarHBondContact OH-NZ 2.92Å
108K94.4Very high96.3Very high151 Ų15167.1 Ų67.166%0.65733%0.327SS*.  trans-71-28.1-178.5-64.5-177.1-179.4179.30113.7R102R102-K108 PolarHBondContact NE-O 2.98Å
109K96.6Very high96.4Very high165 Ų16562 Ų6272%0.71730%0.303SS*.SBendtrans-114.6152.5178-63.4-177.7-178.5179.70109.8T111K109-T111 PolarHBondContact O-N 3.11Å; K109-T111 VanDerWaalsContact O-N 3.07Å; K109-T111 PolarHBondContact O-OG1 2.84Å
110P97.4Very high96.4Very high79 Ų7963.4 Ų63.451%0.51331%0.312SS..  trans-51.4117.3168.8-23.534.2000109.9H100 W101H100-P110 HydrophobicContact CB-CB 3.81Å; W101-P110 WeakPolarHBondContact O-CA 3.39Å
111T98.3Very high96.4Very high41 Ų4161.8 Ų61.825%0.25231%0.305SS..BIsolated β-bridgetrans-122.9126.5-173.9-56.60000109.5H100 W101 Y107 K109 L113H100-T111 WeakPolarHBondContact CA-O 3.44Å; W101-T111 PolarHBondContact N-O 2.89Å; W101-T111 PolarHBondContact O-N 3.37Å; Y107-T111 HydrophobicContact CD1-CG2 3.89Å; Y107-T111 HydrophobicContact CE1-CG2 3.97Å; K109-T111 PolarHBondContact O-N 3.11Å; K109-T111 VanDerWaalsContact O-N 3.07Å; K109-T111 PolarHBondContact O-OG1 2.84Å; T111-L113 HydrophobicContact CG2-CD2 4.25Å; T111-L113 PolarHBondContact O-N 3.42Å
112P97.7Very high96.4Very high78 Ų7861.7 Ų61.751%0.50631%0.305SS..  trans-66.7132.2172.627.9-33.1000109.4
113L98.3Very high96.4Very high12 Ų1256.2 Ų56.26%0.06328%0.284CS..  trans-131.2149.4175.8-64.6-179.5000109.6M91 W101 Y107 T111 K117 E121M91-L113 PolarHBondContact N-O 2.86Å; W101-L113 HydrophobicContact CB-CD1 3.44Å; W101-L113 VanDerWaalsContact CB-CD1 3.44Å; W101-L113 HydrophobicContact CB-CG 4.07Å; W101-L113 HydrophobicContact CG-CD1 3.8Å; Y107-L113 HydrophobicContact CE1-CD1 4.42Å; Y107-L113 HydrophobicContact CE1-CD2 3.95Å; T111-L113 HydrophobicContact CG2-CD2 4.25Å; T111-L113 PolarHBondContact O-N 3.42Å; L113-K117 HydrophobicContact CD1-CG 4.33Å; L113-K117 HydrophobicContact CD2-CD 4.12Å; L113-E121 HydrophobicContact CD1-CG 4.37Å
114P98.3Very high96.6Very high30 Ų3058.9 Ų58.920%0.19530%0.298CS..  trans-55.7144.9164.7-22.933.8000111.2V85 P89 P116 K117 Y118V85-P114 HydrophobicContact CB-CB 4.34Å; V85-P114 HydrophobicContact CG1-CB 4.13Å; V85-P114 HydrophobicContact CG1-CG 3.85Å; V85-P114 HydrophobicContact CG2-CB 3.97Å; V85-P114 HydrophobicContact CG2-CG 4.16Å; P89-P114 VanDerWaalsContact O-CA 3.28Å; P89-P114 WeakPolarHBondContact O-CA 3.34Å; P114-P116 HydrophobicContact CB-CG 4.38Å; P114-K117 PolarHBondContact O-N 3.23Å; P114-K117 VanDerWaalsContact O-N 3.09Å; P114-Y118 PolarHBondContact O-N 3.28Å
115A98.6Very high96.9Very high0 Ų056 Ų560%028%0.28CS..Hα-helixtrans-52-46.2-178.200000114C88 M91 K117 Y118 I119 H165C88-A115 HydrophobicContact CB-CB 3.6Å; C88-A115 PolarHBondContact O-N 3.2Å; M91-A115 HydrophobicContact SD-CB 3.86Å; A115-K117 VanDerWaalsContact C-N 3.32Å; A115-K117 PolarHBondContact O-N 2.86Å; A115-Y118 PolarHBondContact O-N 3.13Å; A115-I119 VanDerWaalsContact O-CG1 3.29Å; A115-I119 WeakPolarHBondContact O-CG1 3.35Å; A115-I119 PolarHBondContact O-N 3.24Å; A115-H165 WeakPolarHBondContact CB-CE1 3.45Å
116P98.1Very high97.2Very high24 Ų2450.4 Ų50.416%0.15625%0.252CS..Hα-helixtrans-62.7-39.6179.322.7-33.5000112.8Y76 C83 V85 P114 I119 D120Y76-P116 WeakPolarHBondContact OH-CA 3.38Å; C83-P116 WeakPolarHBondContact O-CB 3.46Å; V85-P116 HydrophobicContact CG2-CG 4.28Å; P114-P116 HydrophobicContact CB-CG 4.38Å; P116-I119 PolarHBondContact O-N 2.68Å; P116-D120 WeakPolarHBondContact O-CB 3.42Å; P116-D120 PolarHBondContact O-N 3.32Å
117K97.8Very high97.4Very high87 Ų8745 Ų4538%0.37823%0.228SC..Hα-helixtrans-68-41.9176.6-176.4168.7177.3169.70111.6Y107 L113 P114 A115 I119 D120 E121Y107-K117 WeakPolarHBondContact OH-CE 3.29Å; Y107-K117 PolarHBondContact OH-NZ 2.92Å; L113-K117 HydrophobicContact CD1-CG 4.33Å; L113-K117 HydrophobicContact CD2-CD 4.12Å; P114-K117 PolarHBondContact O-N 3.23Å; P114-K117 VanDerWaalsContact O-N 3.09Å; A115-K117 VanDerWaalsContact C-N 3.32Å; A115-K117 PolarHBondContact O-N 2.86Å; K117-I119 VanDerWaalsContact C-N 3.3Å; K117-I119 PolarHBondContact O-N 3.01Å; K117-D120 PolarHBondContact O-N 3.01Å; K117-E121 HydrophobicContact CG-CG 4.42Å; K117-E121 WeakPolarHBondContact O-CG 3.35Å; K117-E121 PolarHBondContact O-N 2.86Å
118Y98.6Very high97.5Very high0 Ų045.9 Ų45.90%024%0.244CC..Hα-helixtrans-58.9-44.7175.7-177.4-73.3000111.3M91 W101 P114 A115 L122 R161M91-Y118 HydrophobicContact CB-CD1 4.27Å; M91-Y118 HydrophobicContact CB-CD2 3.75Å; M91-Y118 HydrophobicContact CB-CE2 4.47Å; M91-Y118 HydrophobicContact CB-CG 3.65Å; M91-Y118 HydrophobicContact CE-CD1 4.03Å; M91-Y118 HydrophobicContact CE-CE1 4.22Å; M91-Y118 HydrophobicContact CG-CD1 3.56Å; M91-Y118 HydrophobicContact CG-CD2 3.79Å; M91-Y118 HydrophobicContact CG-CE1 4.03Å; M91-Y118 HydrophobicContact CG-CE2 4.2Å; M91-Y118 HydrophobicContact CG-CG 3.48Å; M91-Y118 VanDerWaalsContact CG-CG 3.48Å; M91-Y118 HydrophobicContact SD-CD1 3.91Å; M91-Y118 HydrophobicContact SD-CG 4.18Å; W101-Y118 HydrophobicContact CB-CD2 3.91Å; W101-Y118 HydrophobicContact CB-CE2 4.01Å; W101-Y118 HydrophobicContact CE3-CD1 4.46Å; W101-Y118 HydrophobicContact CE3-CD2 4.09Å; W101-Y118 HydrophobicContact CE3-CE1 4.12Å; W101-Y118 AromaticContact CE3-CE2 3.75Å; W101-Y118 HydrophobicContact CE3-CE2 3.75Å; W101-Y118 HydrophobicContact CE3-CG 4.42Å; W101-Y118 AromaticContact CE3-CZ 3.73Å; W101-Y118 HydrophobicContact CZ3-CE1 4.33Å; P114-Y118 PolarHBondContact O-N 3.28Å; A115-Y118 PolarHBondContact O-N 3.13Å; Y118-L122 HydrophobicContact CD1-CB 4.5Å; Y118-L122 HydrophobicContact CE1-CB 4.36Å; Y118-L122 HydrophobicContact CE1-CD2 4.24Å; Y118-L122 VanDerWaalsContact O-CB 3.3Å; Y118-L122 WeakPolarHBondContact O-CB 3.47Å; Y118-L122 PolarHBondContact O-N 3.21Å; Y118-R161 VanDerWaalsContact OH-CD 3.24Å; Y118-R161 WeakPolarHBondContact OH-CD 3.31Å; Y118-R161 PolarHBondContact OH-NH1 3.41Å
119I98.3Very high97.6Very high0 Ų040.4 Ų40.40%022%0.221CC..Hα-helixtrans-70.9-36-177.2-65.2167.8000110.5Y76 M91 A115 P116 K117 L122 M123 V162Y76-I119 HydrophobicContact CD1-CG2 3.55Å; Y76-I119 HydrophobicContact CD2-CD1 3.66Å; Y76-I119 HydrophobicContact CD2-CG2 3.94Å; Y76-I119 HydrophobicContact CE1-CB 4.21Å; Y76-I119 HydrophobicContact CE1-CG2 3.62Å; Y76-I119 HydrophobicContact CE2-CB 4.27Å; Y76-I119 HydrophobicContact CE2-CD1 3.31Å; Y76-I119 HydrophobicContact CE2-CG1 4.36Å; Y76-I119 HydrophobicContact CE2-CG2 4.03Å; Y76-I119 HydrophobicContact CG-CG2 3.72Å; M91-I119 HydrophobicContact CE-CD1 4.25Å; M91-I119 HydrophobicContact CE-CG1 4.08Å; M91-I119 HydrophobicContact SD-CD1 4.13Å; M91-I119 HydrophobicContact SD-CG1 4.04Å; A115-I119 VanDerWaalsContact O-CG1 3.29Å; A115-I119 WeakPolarHBondContact O-CG1 3.35Å; A115-I119 PolarHBondContact O-N 3.24Å; P116-I119 PolarHBondContact O-N 2.68Å; K117-I119 VanDerWaalsContact C-N 3.3Å; K117-I119 PolarHBondContact O-N 3.01Å; I119-L122 WeakPolarHBondContact O-CB 3.44Å; I119-L122 PolarHBondContact O-N 3.19Å; I119-M123 HydrophobicContact CG2-CE 4.08Å; I119-M123 HydrophobicContact CG2-CG 4.22Å; I119-M123 VanDerWaalsContact O-CG 3.25Å; I119-M123 WeakPolarHBondContact O-CG 3.14Å; I119-M123 PolarHBondContact O-N 3.47Å; I119-V162 HydrophobicContact CD1-CG1 4.47Å; I119-V162 HydrophobicContact CG1-CG2 4.42Å
120D97.1Very high97.6Very high55 Ų5533 Ų3329%0.29419%0.189SC..Hα-helixtrans-57.4-54.8171.8-165.152.7000111.5F16 R17 P116 K117 L122 M123 D124F16-D120 HydrophobicContact CZ-CB 4.33Å; F16-D120 WeakPolarHBondContact CZ-OD1 3.3Å; R17-D120 IonicContact CZ-OD1 2.88Å; R17-D120 VanDerWaalsContact CZ-OD1 3.26Å; R17-D120 IonicContact NH1-OD1 3Å; R17-D120 IonicContact NH2-OD1 3.39Å; R17-D120 PolarHBondContact NH2-OD1 3.4Å; R17-D120 IonicContact NH2-OD2 2.73Å; P116-D120 WeakPolarHBondContact O-CB 3.42Å; P116-D120 PolarHBondContact O-N 3.32Å; K117-D120 PolarHBondContact O-N 3.01Å; D120-L122 VanDerWaalsContact C-N 3.26Å; D120-L122 PolarHBondContact O-N 2.9Å; D120-M123 PolarHBondContact O-N 3.11Å; D120-D124 PolarHBondContact O-N 3.32Å; D120-D124 VanDerWaalsContact O-N 3.08Å
121E97.8Very high97.4Very high44 Ų4433.2 Ų33.221%0.20619%0.186CC..Hα-helixtrans-59.5-37176.3-62.2-77.3177.800111.9W101 L113 K117 W125W101-E121 HydrophobicContact CD2-CB 4.06Å; W101-E121 HydrophobicContact CE3-CB 4.44Å; W101-E121 HydrophobicContact CH2-CB 4.17Å; W101-E121 WeakPolarHBondContact CH2-O 3.38Å; W101-E121 HydrophobicContact CZ2-CB 3.74Å; W101-E121 HydrophobicContact CZ3-CB 4.49Å; L113-E121 HydrophobicContact CD1-CG 4.37Å; K117-E121 HydrophobicContact CG-CG 4.42Å; K117-E121 WeakPolarHBondContact O-CG 3.35Å; K117-E121 PolarHBondContact O-N 2.86Å; E121-W125 WeakPolarHBondContact O-CB 3.34Å; E121-W125 PolarHBondContact O-N 2.89Å
122L98.3Very high97.3Very high0 Ų033.9 Ų33.90%019%0.188CC..Hα-helixtrans-64.2-49.4176175.658.4000112W101 Y118 I119 D120 D124 W125 V126 R158 L159 V162W101-L122 HydrophobicContact CH2-CB 4.24Å; W101-L122 HydrophobicContact CH2-CD1 4.42Å; W101-L122 HydrophobicContact CZ3-CB 3.84Å; W101-L122 HydrophobicContact CZ3-CD1 4.13Å; Y118-L122 HydrophobicContact CD1-CB 4.5Å; Y118-L122 HydrophobicContact CE1-CB 4.36Å; Y118-L122 HydrophobicContact CE1-CD2 4.24Å; Y118-L122 VanDerWaalsContact O-CB 3.3Å; Y118-L122 WeakPolarHBondContact O-CB 3.47Å; Y118-L122 PolarHBondContact O-N 3.21Å; I119-L122 WeakPolarHBondContact O-CB 3.44Å; I119-L122 PolarHBondContact O-N 3.19Å; D120-L122 VanDerWaalsContact C-N 3.26Å; D120-L122 PolarHBondContact O-N 2.9Å; L122-D124 VanDerWaalsContact C-N 3.3Å; L122-D124 PolarHBondContact O-N 2.87Å; L122-W125 HydrophobicContact CD1-CE3 4.2Å; L122-W125 PolarHBondContact O-N 3.17Å; L122-V126 HydrophobicContact CD1-CG2 3.81Å; L122-V126 HydrophobicContact CG-CG2 4.46Å; L122-V126 WeakPolarHBondContact O-CG2 3.36Å; L122-V126 PolarHBondContact O-N 2.9Å; L122-R158 HydrophobicContact CD1-CB 3.46Å; L122-R158 VanDerWaalsContact CD1-CB 3.46Å; L122-R158 HydrophobicContact CD1-CG 4.31Å; L122-R158 HydrophobicContact CD2-CB 4.33Å; L122-R158 WeakPolarHBondContact CD2-O 3.5Å; L122-L159 HydrophobicContact CD2-CD2 4.49Å; L122-V162 HydrophobicContact CD2-CG2 3.56Å
123M97.5Very high97.1Very high0 Ų034.1 Ų34.10%019%0.19CC..Hα-helixtrans-64.5-39.9-176.7-68.7-60.9176.900110.7F16 R17 Y69 I72 N73 I119 D120 D127 V162F16-M123 HydrophobicContact CD1-CG 4.12Å; F16-M123 HydrophobicContact CE1-CB 4.36Å; F16-M123 HydrophobicContact CE1-CG 4.15Å; R17-M123 HydrophobicContact CG-CB 4.12Å; Y69-M123 HydrophobicContact CD2-SD 4.13Å; Y69-M123 HydrophobicContact CE2-CB 4.41Å; Y69-M123 HydrophobicContact CE2-SD 3.75Å; I72-M123 HydrophobicContact CG2-CE 3.97Å; N73-M123 HydrophobicContact CB-CE 4.27Å; N73-M123 HydrophobicContact CB-SD 4.12Å; I119-M123 HydrophobicContact CG2-CE 4.08Å; I119-M123 HydrophobicContact CG2-CG 4.22Å; I119-M123 VanDerWaalsContact O-CG 3.25Å; I119-M123 WeakPolarHBondContact O-CG 3.14Å; I119-M123 PolarHBondContact O-N 3.47Å; D120-M123 PolarHBondContact O-N 3.11Å; M123-D127 VanDerWaalsContact O-CB 3.26Å; M123-D127 WeakPolarHBondContact O-CB 3.44Å; M123-D127 PolarHBondContact O-N 3.39Å; M123-V162 HydrophobicContact CE-CG2 4.46Å
124D96.1Very high96.9Very high71 Ų7137.3 Ų37.338%0.3821%0.213SC..Hα-helixtrans-69.2-40.4176.6-69.5-7.4000112.1R17 D120 L122 D127 A128R17-D124 IonicContact CZ-OD1 3.9Å; R17-D124 IonicContact CZ-OD2 2.75Å; R17-D124 IonicContact NE-OD1 2.91Å; R17-D124 PolarHBondContact NE-OD1 3.39Å; R17-D124 IonicContact NH2-OD1 3.83Å; R17-D124 PolarHBondContact NH2-OD1 3.04Å; R17-D124 IonicContact NH2-OD2 3.04Å; R17-D124 PolarHBondContact NH2-OD2 2.99Å; D120-D124 PolarHBondContact O-N 3.32Å; D120-D124 VanDerWaalsContact O-N 3.08Å; L122-D124 VanDerWaalsContact C-N 3.3Å; L122-D124 PolarHBondContact O-N 2.87Å; D124-D127 WeakPolarHBondContact O-CB 3.46Å; D124-D127 PolarHBondContact O-N 3.5Å; D124-A128 WeakPolarHBondContact O-CB 3.48Å; D124-A128 PolarHBondContact O-N 2.9Å
125W97.5Very high96.8Very high27 Ų2736.9 Ų36.910%0.10221%0.209CC..Hα-helixtrans-63.3-45.5176.217978.6000111.7W101 E121 L122 D127 A128 Q129 K154 I155W101-W125 HydrophobicContact CH2-CB 3.7Å; W101-W125 HydrophobicContact CH2-CD2 4.47Å; W101-W125 HydrophobicContact CH2-CG 4.03Å; W101-W125 HydrophobicContact CZ2-CB 3.94Å; W101-W125 HydrophobicContact CZ2-CG 4.24Å; E121-W125 WeakPolarHBondContact O-CB 3.34Å; E121-W125 PolarHBondContact O-N 2.89Å; L122-W125 HydrophobicContact CD1-CE3 4.2Å; L122-W125 PolarHBondContact O-N 3.17Å; W125-D127 VanDerWaalsContact C-N 3.34Å; W125-A128 PolarHBondContact O-N 3.25Å; W125-Q129 HydrophobicContact CD2-CG 4.42Å; W125-Q129 HydrophobicContact CH2-CG 4.23Å; W125-Q129 HydrophobicContact CZ2-CG 4.02Å; W125-Q129 WeakPolarHBondContact O-CG 3.4Å; W125-Q129 PolarHBondContact O-N 3.32Å; W125-K154 HydrophobicContact CH2-CB 4.26Å; W125-K154 HydrophobicContact CH2-CD 3.74Å; W125-K154 HydrophobicContact CH2-CG 3.72Å; W125-K154 HydrophobicContact CZ2-CD 3.8Å; W125-K154 HydrophobicContact CZ2-CG 4.29Å; W125-I155 HydrophobicContact CH2-CG1 3.86Å; W125-I155 HydrophobicContact CZ3-CB 4.48Å; W125-I155 HydrophobicContact CZ3-CG1 3.73Å
126V98Very high96.7Very high0 Ų037 Ų370%021%0.209CC..Hα-helixtrans-64.8-41.1176.1177.20000110.6Y69 L122 A128 Q129 I130 I155 L159Y69-V126 HydrophobicContact CD2-CB 3.9Å; Y69-V126 HydrophobicContact CD2-CG1 3.45Å; Y69-V126 VanDerWaalsContact CD2-CG1 3.45Å; Y69-V126 HydrophobicContact CE2-CB 4.07Å; Y69-V126 HydrophobicContact CE2-CG1 4.05Å; Y69-V126 HydrophobicContact CG-CG1 4.09Å; L122-V126 HydrophobicContact CD1-CG2 3.81Å; L122-V126 HydrophobicContact CG-CG2 4.46Å; L122-V126 WeakPolarHBondContact O-CG2 3.36Å; L122-V126 PolarHBondContact O-N 2.9Å; V126-A128 VanDerWaalsContact C-N 3.32Å; V126-A128 PolarHBondContact O-N 3.45Å; V126-Q129 PolarHBondContact O-N 2.85Å; V126-Q129 VanDerWaalsContact O-N 3.11Å; V126-I130 HydrophobicContact CG1-CG2 4.09Å; V126-I130 WeakPolarHBondContact O-CG1 3.47Å; V126-I130 PolarHBondContact O-N 2.8Å; V126-I155 HydrophobicContact CG1-CG2 3.87Å; V126-I155 HydrophobicContact CG2-CG1 4.49Å; V126-I155 HydrophobicContact CG2-CG2 4.03Å; V126-L159 HydrophobicContact CG2-CD2 4.38Å; V126-L159 HydrophobicContact CG2-CG 4.46Å
127D96.3Very high96.5Very high40 Ų4036.1 Ų36.121%0.21420%0.204CC..Hα-helixtrans-54.7-47.8176.2-162.491000111.7K20 Y69 M123 D124 W125 Q129 I130 N131K20-D127 WeakPolarHBondContact CE-OD1 3.26Å; K20-D127 VanDerWaalsContact NZ-CG 3.27Å; K20-D127 IonicContact NZ-OD1 3.9Å; K20-D127 PolarHBondContact NZ-OD1 3.06Å; K20-D127 IonicContact NZ-OD2 3.96Å; K20-D127 PolarHBondContact NZ-OD2 3.44Å; Y69-D127 PolarHBondContact OH-OD1 3.06Å; M123-D127 VanDerWaalsContact O-CB 3.26Å; M123-D127 WeakPolarHBondContact O-CB 3.44Å; M123-D127 PolarHBondContact O-N 3.39Å; D124-D127 WeakPolarHBondContact O-CB 3.46Å; D124-D127 PolarHBondContact O-N 3.5Å; W125-D127 VanDerWaalsContact C-N 3.34Å; D127-Q129 VanDerWaalsContact C-N 3.33Å; D127-Q129 PolarHBondContact O-N 2.84Å; D127-I130 WeakPolarHBondContact O-CG1 2.96Å; D127-I130 PolarHBondContact O-N 3.14Å; D127-N131 WeakPolarHBondContact O-CB 3.35Å; D127-N131 PolarHBondContact O-N 3.05Å; D127-N131 VanDerWaalsContact O-N 3.16Å; D127-N131 PolarHBondContact O-ND2 2.82Å; D127-N131 PolarHBondContact OD2-ND2 3.29Å
128A96Very high96Very high60 Ų6035.6 Ų35.650%0.49621%0.208SC..Hα-helixtrans-61.8-39.3177.600000112.1D124 W125 V126 D132D124-A128 WeakPolarHBondContact O-CB 3.48Å; D124-A128 PolarHBondContact O-N 2.9Å; W125-A128 PolarHBondContact O-N 3.25Å; V126-A128 VanDerWaalsContact C-N 3.32Å; V126-A128 PolarHBondContact O-N 3.45Å; A128-D132 WeakPolarHBondContact O-CB 3.26Å; A128-D132 PolarHBondContact O-N 2.72Å
129Q96.5Very high95.4Very high35 Ų3540.9 Ų40.916%0.16424%0.236CC..Hα-helixtrans-67.4-49.8178-55.8-50.5-20.900112.1W125 V126 D127 N131 D132 F136 T151 I155W125-Q129 HydrophobicContact CD2-CG 4.42Å; W125-Q129 HydrophobicContact CH2-CG 4.23Å; W125-Q129 HydrophobicContact CZ2-CG 4.02Å; W125-Q129 WeakPolarHBondContact O-CG 3.4Å; W125-Q129 PolarHBondContact O-N 3.32Å; V126-Q129 PolarHBondContact O-N 2.85Å; V126-Q129 VanDerWaalsContact O-N 3.11Å; D127-Q129 VanDerWaalsContact C-N 3.33Å; D127-Q129 PolarHBondContact O-N 2.84Å; Q129-N131 PolarHBondContact O-N 3.01Å; Q129-D132 PolarHBondContact O-N 3.38Å; Q129-D132 VanDerWaalsContact O-N 3.13Å; Q129-F136 HydrophobicContact CB-CE2 4.34Å; Q129-F136 WeakPolarHBondContact O-CD2 3.5Å; Q129-T151 HydrophobicContact CG-CG2 4.41Å; Q129-I155 HydrophobicContact CB-CD1 3.94Å; Q129-I155 HydrophobicContact CG-CD1 4.25Å
130I96.2Very high94.7Very high9 Ų947.9 Ų47.95%0.04627%0.272CS..Hα-helixtrans-70.1-20-173.765.6-179.9000112.8K20 V65 V66 Y69 V126 D127 F136K20-I130 HydrophobicContact CG-CD1 4.16Å; V65-I130 HydrophobicContact CG1-CG2 3.72Å; V66-I130 HydrophobicContact CG2-CB 4.25Å; V66-I130 HydrophobicContact CG2-CD1 4.36Å; V66-I130 HydrophobicContact CG2-CG2 4.41Å; Y69-I130 HydrophobicContact CD1-CD1 3.81Å; Y69-I130 HydrophobicContact CE1-CD1 4.08Å; Y69-I130 HydrophobicContact CG-CD1 4.16Å; V126-I130 HydrophobicContact CG1-CG2 4.09Å; V126-I130 WeakPolarHBondContact O-CG1 3.47Å; V126-I130 PolarHBondContact O-N 2.8Å; D127-I130 WeakPolarHBondContact O-CG1 2.96Å; D127-I130 PolarHBondContact O-N 3.14Å; I130-F136 HydrophobicContact CG2-CE1 4.39Å; I130-F136 HydrophobicContact CG2-CE2 4.43Å; I130-F136 HydrophobicContact CG2-CZ 4.23Å
131N94.2Very high94.2Very high84 Ų8448.9 Ų48.945%0.44930%0.295SS..THydrogen-bonded Turntrans-97.1-0.1175.9-64-50.5000113.2K20 D127 Q129 P133K20-N131 PolarHBondContact NZ-ND2 2.93Å; D127-N131 WeakPolarHBondContact O-CB 3.35Å; D127-N131 PolarHBondContact O-N 3.05Å; D127-N131 VanDerWaalsContact O-N 3.16Å; D127-N131 PolarHBondContact O-ND2 2.82Å; D127-N131 PolarHBondContact OD2-ND2 3.29Å; Q129-N131 PolarHBondContact O-N 3.01Å; N131-P133 VanDerWaalsContact O-CD 3.26Å; N131-P133 WeakPolarHBondContact O-CD 3.25Å
132D95.4Very high93.9Very high55 Ų5550.2 Ų50.229%0.29431%0.306SS..  trans-84.7109.1173.8-178.5-10.2000109.9A128 Q129 S134 L135 F136A128-D132 WeakPolarHBondContact O-CB 3.26Å; A128-D132 PolarHBondContact O-N 2.72Å; Q129-D132 PolarHBondContact O-N 3.38Å; Q129-D132 VanDerWaalsContact O-N 3.13Å; D132-S134 PolarHBondContact O-N 3.13Å; D132-S134 VanDerWaalsContact O-N 3.16Å; D132-S134 WeakPolarHBondContact OD1-CA 3.19Å; D132-S134 VanDerWaalsContact OD1-CB 3.28Å; D132-S134 WeakPolarHBondContact OD1-CB 3.49Å; D132-S134 PolarHBondContact OD1-N 3.26Å; D132-S134 PolarHBondContact OD1-OG 3.18Å; D132-S134 PolarHBondContact OD2-OG 2.82Å; D132-S134 VanDerWaalsContact OD2-OG 3.13Å; D132-L135 HydrophobicContact CB-CB 4.27Å; D132-L135 HydrophobicContact CB-CD1 4.24Å; D132-L135 HydrophobicContact CB-CG 4.39Å; D132-L135 PolarHBondContact O-N 3.44Å; D132-F136 PolarHBondContact O-N 3.25Å
133P93.7Very high93.7Very high84 Ų8455.3 Ų55.355%0.54534%0.34SS..THydrogen-bonded Turntrans-65-19-178.9-18.833.4000113.4N131 L135 P137N131-P133 VanDerWaalsContact O-CD 3.26Å; N131-P133 WeakPolarHBondContact O-CD 3.25Å; P133-L135 VanDerWaalsContact C-N 3.29Å; P133-P137 VanDerWaalsContact O-CA 3.25Å; P133-P137 WeakPolarHBondContact O-CA 3.16Å
134S95.3Very high93.6Very high79 Ų7956.9 Ų56.955%0.55235%0.346SS*.THydrogen-bonded Turntrans-75.5-20.9175.378.40000112.8D132 P145D132-S134 PolarHBondContact O-N 3.13Å; D132-S134 VanDerWaalsContact O-N 3.16Å; D132-S134 WeakPolarHBondContact OD1-CA 3.19Å; D132-S134 VanDerWaalsContact OD1-CB 3.28Å; D132-S134 WeakPolarHBondContact OD1-CB 3.49Å; D132-S134 PolarHBondContact OD1-N 3.26Å; D132-S134 PolarHBondContact OD1-OG 3.18Å; D132-S134 PolarHBondContact OD2-OG 2.82Å; D132-S134 VanDerWaalsContact OD2-OG 3.13Å; S134-P145 WeakPolarHBondContact O-CD 3.48Å; S134-P145 VanDerWaalsContact O-CG 3.26Å; S134-P145 WeakPolarHBondContact O-CG 3.26Å
135L96.3Very high93.7Very high21 Ų2155.2 Ų55.211%0.1134%0.34CS..THydrogen-bonded Turntrans-102.8-41.4176.5-67.8176.4000112.5D132 P133 P137 P145 Y148D132-L135 HydrophobicContact CB-CB 4.27Å; D132-L135 HydrophobicContact CB-CD1 4.24Å; D132-L135 HydrophobicContact CB-CG 4.39Å; D132-L135 PolarHBondContact O-N 3.44Å; P133-L135 VanDerWaalsContact C-N 3.29Å; L135-P137 VanDerWaalsContact C-CD 3.46Å; L135-P137 WeakPolarHBondContact O-CD 3.08Å; L135-P145 HydrophobicContact CD2-CG 4.17Å; L135-Y148 WeakPolarHBondContact O-CD2 3.28Å
136F95.7Very high93.7Very high2 Ų266.4 Ų66.41%0.00938%0.382CS..SBendtrans-12269.9-179.6-75.6-101.6000109.6R28 A62 V65 Q129 I130 D132 T138 Y148 V152 I155R28-F136 PolarHBondContact NH1-O 3.01Å; R28-F136 PolarHBondContact NH2-O 3.29Å; A62-F136 HydrophobicContact CB-CD1 3.99Å; A62-F136 HydrophobicContact CB-CE1 4.28Å; V65-F136 HydrophobicContact CB-CE1 4.14Å; V65-F136 HydrophobicContact CG1-CE1 4Å; V65-F136 HydrophobicContact CG1-CZ 4.01Å; V65-F136 HydrophobicContact CG2-CE1 4.35Å; Q129-F136 HydrophobicContact CB-CE2 4.34Å; Q129-F136 WeakPolarHBondContact O-CD2 3.5Å; I130-F136 HydrophobicContact CG2-CE1 4.39Å; I130-F136 HydrophobicContact CG2-CE2 4.43Å; I130-F136 HydrophobicContact CG2-CZ 4.23Å; D132-F136 PolarHBondContact O-N 3.25Å; F136-T138 PolarHBondContact O-N 3.5Å; F136-Y148 AromaticContact CD1-CE2 3.95Å; F136-Y148 HydrophobicContact CD1-CE2 3.95Å; F136-Y148 AromaticContact CE1-CE2 3.67Å; F136-Y148 HydrophobicContact CE1-CE2 3.67Å; F136-Y148 HydrophobicContact CE2-CE2 4.31Å; F136-Y148 HydrophobicContact CG-CE2 4.4Å; F136-Y148 AromaticContact CZ-CE2 3.85Å; F136-Y148 HydrophobicContact CZ-CE2 3.85Å; F136-V152 HydrophobicContact CZ-CG2 4.18Å; F136-I155 HydrophobicContact CE2-CD1 4.05Å; F136-I155 HydrophobicContact CZ-CD1 3.89Å
137P93.2Very high93.6Very high6 Ų669.1 Ų69.14%0.03940%0.4CS..  trans-58.3135.1178.725.4-35.3000112.3R28 P133 L135 V142 F144R28-P137 PolarHBondContact NH2-O 3.29Å; P133-P137 VanDerWaalsContact O-CA 3.25Å; P133-P137 WeakPolarHBondContact O-CA 3.16Å; L135-P137 VanDerWaalsContact C-CD 3.46Å; L135-P137 WeakPolarHBondContact O-CD 3.08Å; P137-V142 HydrophobicContact CB-CB 3.98Å; P137-V142 HydrophobicContact CB-CG1 3.65Å; P137-V142 HydrophobicContact CG-CG1 4.44Å; P137-F144 HydrophobicContact CG-CD1 3.93Å; P137-F144 HydrophobicContact CG-CD2 4.19Å; P137-F144 HydrophobicContact CG-CE1 4.14Å; P137-F144 HydrophobicContact CG-CE2 4.38Å; P137-F144 HydrophobicContact CG-CG 3.97Å; P137-F144 HydrophobicContact CG-CZ 4.36Å
138T87.8Confident93.7Very high76 Ų7667.4 Ų67.447%0.46639%0.39SS..  trans-107.5-15.917853.10000113.1F136F136-T138 PolarHBondContact O-N 3.5Å
139D86.5Confident93.8Very high111 Ų11167.2 Ų67.259%0.59438%0.381SS*.SBendtrans-79.9136.1-178.2-62.3-43000111G141 V142D139-G141 PolarHBondContact O-N 2.95Å; D139-V142 HydrophobicContact CB-CB 4.4Å; D139-V142 HydrophobicContact CB-CG2 3.73Å; D139-V142 PolarHBondContact O-N 3Å
140I84.3Confident93.8Very high146 Ų14669 Ų6975%0.74940%0.397SS*.THydrogen-bonded Turntrans-60.1130.4178.6-56.9-179.9000109.4I27 V142I27-I140 HydrophobicContact CD1-CD1 4.26Å; I27-I140 HydrophobicContact CD1-CG1 3.81Å; I27-I140 HydrophobicContact CG1-CG1 4.42Å; I140-V142 VanDerWaalsContact C-N 3.3Å; I140-V142 PolarHBondContact O-N 3.43Å
141G85.4Confident93.9Very high76 Ų7669.6 Ų69.678%0.78440%0.401SS*.THydrogen-bonded Turntrans83.2-3.1177.700000115D139 P143D139-G141 PolarHBondContact O-N 2.95Å; G141-P143 WeakPolarHBondContact O-CD 3.44Å
142V91.4Very high94.1Very high72 Ų7265.6 Ų65.644%0.43638%0.38SS..  trans-84.3115170.6-179.40000109.1P137 D139 I140P137-V142 HydrophobicContact CB-CB 3.98Å; P137-V142 HydrophobicContact CB-CG1 3.65Å; P137-V142 HydrophobicContact CG-CG1 4.44Å; D139-V142 HydrophobicContact CB-CB 4.4Å; D139-V142 HydrophobicContact CB-CG2 3.73Å; D139-V142 PolarHBondContact O-N 3Å; I140-V142 VanDerWaalsContact C-N 3.3Å; I140-V142 PolarHBondContact O-N 3.43Å
143P93.8Very high94.3Very high108 Ų10866.7 Ų66.770%0.70138%0.382SS*.PPolyproline II helixtrans-72.5147-177.430-35000111.7G141G141-P143 WeakPolarHBondContact O-CD 3.44Å
144F96.7Very high94.5Very high32 Ų3266.6 Ų66.614%0.1437%0.373CS..PPolyproline II helixtrans-61.7144.1168.8-73.1-95.5000111.1N58 A62 P137 Y148N58-F144 HydrophobicContact CB-CB 4.31Å; N58-F144 HydrophobicContact CB-CD1 4.13Å; N58-F144 HydrophobicContact CB-CD2 3.4Å; N58-F144 HydrophobicContact CB-CE1 4.28Å; N58-F144 HydrophobicContact CB-CE2 3.59Å; N58-F144 HydrophobicContact CB-CG 3.68Å; N58-F144 HydrophobicContact CB-CZ 4.03Å; A62-F144 HydrophobicContact CB-CE1 4.11Å; A62-F144 HydrophobicContact CB-CZ 4.04Å; P137-F144 HydrophobicContact CG-CD1 3.93Å; P137-F144 HydrophobicContact CG-CD2 4.19Å; P137-F144 HydrophobicContact CG-CE1 4.14Å; P137-F144 HydrophobicContact CG-CE2 4.38Å; P137-F144 HydrophobicContact CG-CG 3.97Å; P137-F144 HydrophobicContact CG-CZ 4.36Å; F144-Y148 HydrophobicContact CB-CD1 4.23Å; F144-Y148 HydrophobicContact CB-CG 4.05Å; F144-Y148 AromaticContact CD1-CD1 3.88Å; F144-Y148 HydrophobicContact CD1-CD1 3.88Å; F144-Y148 AromaticContact CD1-CD2 3.45Å; F144-Y148 HydrophobicContact CD1-CD2 3.45Å; F144-Y148 VanDerWaalsContact CD1-CD2 3.45Å; F144-Y148 AromaticContact CD1-CE1 3.93Å; F144-Y148 HydrophobicContact CD1-CE1 3.93Å; F144-Y148 AromaticContact CD1-CE2 3.49Å; F144-Y148 HydrophobicContact CD1-CE2 3.49Å; F144-Y148 VanDerWaalsContact CD1-CE2 3.49Å; F144-Y148 AromaticContact CD1-CG 3.63Å; F144-Y148 HydrophobicContact CD1-CG 3.63Å; F144-Y148 AromaticContact CD1-CZ 3.71Å; F144-Y148 HydrophobicContact CE1-CD2 4.02Å; F144-Y148 HydrophobicContact CE1-CE1 4.18Å; F144-Y148 AromaticContact CE1-CE2 3.56Å; F144-Y148 HydrophobicContact CE1-CE2 3.56Å; F144-Y148 HydrophobicContact CE1-CG 4.49Å; F144-Y148 AromaticContact CE1-CZ 3.62Å; F144-Y148 HydrophobicContact CG-CD1 4.23Å; F144-Y148 HydrophobicContact CG-CD2 4.43Å; F144-Y148 HydrophobicContact CG-CE1 4.46Å; F144-Y148 HydrophobicContact CG-CG 4.19Å
145P97.4Very high94.6Very high37 Ų3762.8 Ų62.824%0.2435%0.347CS..PPolyproline II helixtrans-69.9159.4-179.932.4-39.7000111.7S134 L135 C147 Y148S134-P145 WeakPolarHBondContact O-CD 3.48Å; S134-P145 VanDerWaalsContact O-CG 3.26Å; S134-P145 WeakPolarHBondContact O-CG 3.26Å; L135-P145 HydrophobicContact CD2-CG 4.17Å; P145-C147 PolarHBondContact O-N 3.48Å; P145-C147 VanDerWaalsContact O-N 3.07Å; P145-Y148 WeakPolarHBondContact O-CB 3.29Å; P145-Y148 PolarHBondContact O-N 2.95Å
146R97.1Very high94.7Very high262 Ų26261.8 Ų61.899%0.98934%0.341SS*.THydrogen-bonded Turntrans-58.9-24.6178.3-66.9-173.4-72.5-144.4-2.1114.3
147C96.5Very high94.9Very high57 Ų5761.9 Ų61.939%0.38534%0.343SS..THydrogen-bonded Turntrans-91.26.417760.50000113.8P145 S150 T151P145-C147 PolarHBondContact O-N 3.48Å; P145-C147 VanDerWaalsContact O-N 3.07Å; C147-S150 PolarHBondContact O-N 3.16Å; C147-S150 PolarHBondContact O-OG 2.82Å; C147-T151 WeakPolarHBondContact O-CB 3.45Å; C147-T151 PolarHBondContact O-N 3.02Å; C147-T151 PolarHBondContact O-OG1 2.86Å
148Y97.9Very high95.1Very high3 Ų362.7 Ų62.71%0.01235%0.345CS..Hα-helixtrans-58-56.3-176.3171.7-113.6000111.8N58 I61 A62 L135 F136 F144 P145 S150 T151 V152N58-Y148 HydrophobicContact CB-CD1 3.88Å; N58-Y148 HydrophobicContact CB-CE1 3.45Å; N58-Y148 VanDerWaalsContact CB-CE1 3.45Å; N58-Y148 PolarHBondContact O-OH 3.47Å; N58-Y148 VanDerWaalsContact OD1-CD1 3.23Å; N58-Y148 WeakPolarHBondContact OD1-CD1 3.35Å; N58-Y148 VanDerWaalsContact OD1-CE1 3.29Å; N58-Y148 WeakPolarHBondContact OD1-CE1 3.45Å; I61-Y148 HydrophobicContact CG2-CE1 4.28Å; A62-Y148 VanDerWaalsContact CA-OH 3.23Å; A62-Y148 WeakPolarHBondContact CA-OH 3.21Å; A62-Y148 WeakPolarHBondContact CB-OH 3.5Å; A62-Y148 PolarHBondContact N-OH 2.65Å; L135-Y148 WeakPolarHBondContact O-CD2 3.28Å; F136-Y148 AromaticContact CD1-CE2 3.95Å; F136-Y148 HydrophobicContact CD1-CE2 3.95Å; F136-Y148 AromaticContact CE1-CE2 3.67Å; F136-Y148 HydrophobicContact CE1-CE2 3.67Å; F136-Y148 HydrophobicContact CE2-CE2 4.31Å; F136-Y148 HydrophobicContact CG-CE2 4.4Å; F136-Y148 AromaticContact CZ-CE2 3.85Å; F136-Y148 HydrophobicContact CZ-CE2 3.85Å; F144-Y148 HydrophobicContact CB-CD1 4.23Å; F144-Y148 HydrophobicContact CB-CG 4.05Å; F144-Y148 AromaticContact CD1-CD1 3.88Å; F144-Y148 HydrophobicContact CD1-CD1 3.88Å; F144-Y148 AromaticContact CD1-CD2 3.45Å; F144-Y148 HydrophobicContact CD1-CD2 3.45Å; F144-Y148 VanDerWaalsContact CD1-CD2 3.45Å; F144-Y148 AromaticContact CD1-CE1 3.93Å; F144-Y148 HydrophobicContact CD1-CE1 3.93Å; F144-Y148 AromaticContact CD1-CE2 3.49Å; F144-Y148 HydrophobicContact CD1-CE2 3.49Å; F144-Y148 VanDerWaalsContact CD1-CE2 3.49Å; F144-Y148 AromaticContact CD1-CG 3.63Å; F144-Y148 HydrophobicContact CD1-CG 3.63Å; F144-Y148 AromaticContact CD1-CZ 3.71Å; F144-Y148 HydrophobicContact CE1-CD2 4.02Å; F144-Y148 HydrophobicContact CE1-CE1 4.18Å; F144-Y148 AromaticContact CE1-CE2 3.56Å; F144-Y148 HydrophobicContact CE1-CE2 3.56Å; F144-Y148 HydrophobicContact CE1-CG 4.49Å; F144-Y148 AromaticContact CE1-CZ 3.62Å; F144-Y148 HydrophobicContact CG-CD1 4.23Å; F144-Y148 HydrophobicContact CG-CD2 4.43Å; F144-Y148 HydrophobicContact CG-CE1 4.46Å; F144-Y148 HydrophobicContact CG-CG 4.19Å; P145-Y148 WeakPolarHBondContact O-CB 3.29Å; P145-Y148 PolarHBondContact O-N 2.95Å; Y148-S150 VanDerWaalsContact C-N 3.32Å; Y148-S150 PolarHBondContact O-N 2.86Å; Y148-T151 CarbonylContact O-C 3.56Å; Y148-T151 WeakPolarHBondContact O-CA 3.27Å; Y148-T151 WeakPolarHBondContact O-CB 3.26Å; Y148-T151 PolarHBondContact O-N 3.23Å; Y148-V152 HydrophobicContact CD1-CG2 4.38Å; Y148-V152 HydrophobicContact CD2-CG2 3.99Å; Y148-V152 HydrophobicContact CE1-CG2 3.95Å; Y148-V152 HydrophobicContact CE2-CG2 3.52Å; Y148-V152 HydrophobicContact CG-CG2 4.4Å; Y148-V152 WeakPolarHBondContact O-CG2 3.42Å; Y148-V152 PolarHBondContact O-N 2.8Å
149I98.1Very high95.6Very high57 Ų5759 Ų5929%0.29232%0.323SS..Hα-helixtrans-62.1-39-178-65.5-63.1000111.6I61 T151 V152 K153I61-I149 HydrophobicContact CD1-CD1 3.97Å; I149-T151 VanDerWaalsContact C-N 3.28Å; I149-T151 PolarHBondContact O-N 3.4Å; I149-V152 PolarHBondContact O-N 3.3Å; I149-K153 HydrophobicContact CG2-CG 4.29Å; I149-K153 WeakPolarHBondContact O-CG 3.5Å; I149-K153 PolarHBondContact O-N 2.96Å
150S97.7Very high96.2Very high73 Ų7353.9 Ų53.951%0.5130%0.295SS..Hα-helixtrans-65.5-33.8176.660.10000112.4C147 Y148 K154C147-S150 PolarHBondContact O-N 3.16Å; C147-S150 PolarHBondContact O-OG 2.82Å; Y148-S150 VanDerWaalsContact C-N 3.32Å; Y148-S150 PolarHBondContact O-N 2.86Å; S150-K154 PolarHBondContact O-N 3.16Å
151T97.9Very high96.9Very high21 Ų2149.3 Ų49.313%0.12927%0.268CS..Hα-helixtrans-67.5-45.7172.4-56.90000111.2Q129 C147 Y148 I149 K154 I155Q129-T151 HydrophobicContact CG-CG2 4.41Å; C147-T151 WeakPolarHBondContact O-CB 3.45Å; C147-T151 PolarHBondContact O-N 3.02Å; C147-T151 PolarHBondContact O-OG1 2.86Å; Y148-T151 CarbonylContact O-C 3.56Å; Y148-T151 WeakPolarHBondContact O-CA 3.27Å; Y148-T151 WeakPolarHBondContact O-CB 3.26Å; Y148-T151 PolarHBondContact O-N 3.23Å; I149-T151 VanDerWaalsContact C-N 3.28Å; I149-T151 PolarHBondContact O-N 3.4Å; T151-K154 WeakPolarHBondContact O-CB 3.33Å; T151-K154 PolarHBondContact O-N 3.37Å; T151-I155 HydrophobicContact CG2-CD1 4.08Å; T151-I155 WeakPolarHBondContact O-CG1 3.42Å; T151-I155 PolarHBondContact O-N 2.91Å
152V98.6Very high97.5Very high0 Ų045.8 Ų45.80%023%0.231CC..Hα-helixtrans-58.3-48.2175.4168.50000111.5I61 V65 F136 Y148 I149 K154 I155 F156 L199I61-V152 HydrophobicContact CG2-CB 4.41Å; I61-V152 HydrophobicContact CG2-CG1 3.61Å; I61-V152 HydrophobicContact CG2-CG2 4.01Å; V65-V152 HydrophobicContact CG2-CG1 4Å; V65-V152 HydrophobicContact CG2-CG2 4.18Å; F136-V152 HydrophobicContact CZ-CG2 4.18Å; Y148-V152 HydrophobicContact CD1-CG2 4.38Å; Y148-V152 HydrophobicContact CD2-CG2 3.99Å; Y148-V152 HydrophobicContact CE1-CG2 3.95Å; Y148-V152 HydrophobicContact CE2-CG2 3.52Å; Y148-V152 HydrophobicContact CG-CG2 4.4Å; Y148-V152 WeakPolarHBondContact O-CG2 3.42Å; Y148-V152 PolarHBondContact O-N 2.8Å; I149-V152 PolarHBondContact O-N 3.3Å; V152-K154 VanDerWaalsContact C-N 3.26Å; V152-K154 PolarHBondContact O-N 3.49Å; V152-I155 PolarHBondContact O-N 3.1Å; V152-I155 VanDerWaalsContact O-N 3.11Å; V152-F156 HydrophobicContact CG1-CD2 3.47Å; V152-F156 VanDerWaalsContact CG1-CD2 3.47Å; V152-F156 HydrophobicContact CG1-CE2 3.54Å; V152-F156 WeakPolarHBondContact O-CD2 3.34Å; V152-F156 PolarHBondContact O-N 3.49Å; V152-L199 HydrophobicContact CG1-CD1 4.1Å; V152-L199 HydrophobicContact CG1-CD2 4.03Å
153K98.6Very high97.8Very high78 Ų7842.4 Ų42.434%0.33921%0.211SC..Hα-helixtrans-55.9-43.6176.5-69.8-163.4178.1-154.80111.1I149 F156 G157 D198 L199I149-K153 HydrophobicContact CG2-CG 4.29Å; I149-K153 WeakPolarHBondContact O-CG 3.5Å; I149-K153 PolarHBondContact O-N 2.96Å; K153-F156 PolarHBondContact O-N 2.87Å; K153-G157 PolarHBondContact O-N 3.25Å; K153-D198 WeakPolarHBondContact CE-O 3.29Å; K153-D198 PolarHBondContact NZ-O 3.15Å; K153-D198 IonicContact NZ-OD2 2.65Å; K153-D198 PolarHBondContact NZ-OD2 3.42Å; K153-L199 VanDerWaalsContact CA-O 3.3Å; K153-L199 WeakPolarHBondContact CA-O 3.32Å; K153-L199 WeakPolarHBondContact CB-O 3.48Å; K153-L199 HydrophobicContact CG-CD2 4.34Å; K153-L199 WeakPolarHBondContact CG-O 3.47Å
154K97.9Very high98Very high81 Ų8137.3 Ų37.335%0.35218%0.178SC..Hα-helixtrans-65.3-39.8176.8-171.9180176.1-175.50112.8W125 S150 T151 V152 R158W125-K154 HydrophobicContact CH2-CB 4.26Å; W125-K154 HydrophobicContact CH2-CD 3.74Å; W125-K154 HydrophobicContact CH2-CG 3.72Å; W125-K154 HydrophobicContact CZ2-CD 3.8Å; W125-K154 HydrophobicContact CZ2-CG 4.29Å; S150-K154 PolarHBondContact O-N 3.16Å; T151-K154 WeakPolarHBondContact O-CB 3.33Å; T151-K154 PolarHBondContact O-N 3.37Å; V152-K154 VanDerWaalsContact C-N 3.26Å; V152-K154 PolarHBondContact O-N 3.49Å; K154-R158 WeakPolarHBondContact O-CB 3.46Å; K154-R158 VanDerWaalsContact O-CG 3.26Å; K154-R158 WeakPolarHBondContact O-CG 3.31Å; K154-R158 PolarHBondContact O-N 3.3Å; K154-R158 VanDerWaalsContact O-N 3.16Å
155I98.6Very high98.1Very high0 Ų035.8 Ų35.80%017%0.171CC..Hα-helixtrans-62.2-53.4175.4-70166.4000109.9V65 W125 V126 Q129 F136 T151 V152 G157 R158 L159V65-I155 HydrophobicContact CG1-CD1 4.28Å; V65-I155 HydrophobicContact CG1-CG2 4.02Å; W125-I155 HydrophobicContact CH2-CG1 3.86Å; W125-I155 HydrophobicContact CZ3-CB 4.48Å; W125-I155 HydrophobicContact CZ3-CG1 3.73Å; V126-I155 HydrophobicContact CG1-CG2 3.87Å; V126-I155 HydrophobicContact CG2-CG1 4.49Å; V126-I155 HydrophobicContact CG2-CG2 4.03Å; Q129-I155 HydrophobicContact CB-CD1 3.94Å; Q129-I155 HydrophobicContact CG-CD1 4.25Å; F136-I155 HydrophobicContact CE2-CD1 4.05Å; F136-I155 HydrophobicContact CZ-CD1 3.89Å; T151-I155 HydrophobicContact CG2-CD1 4.08Å; T151-I155 WeakPolarHBondContact O-CG1 3.42Å; T151-I155 PolarHBondContact O-N 2.91Å; V152-I155 PolarHBondContact O-N 3.1Å; V152-I155 VanDerWaalsContact O-N 3.11Å; I155-G157 PolarHBondContact O-N 2.86Å; I155-R158 PolarHBondContact O-N 2.79Å; I155-L159 HydrophobicContact CG2-CD1 3.66Å; I155-L159 HydrophobicContact CG2-CG 4.19Å; I155-L159 WeakPolarHBondContact O-CB 3.32Å; I155-L159 WeakPolarHBondContact O-CG 3.14Å; I155-L159 PolarHBondContact O-N 3.47Å
156F98.7Very high98.1Very high0 Ų034 Ų340%016%0.159CC..Hα-helixtrans-62.4-45.9-178.6-82.3-57.7000112.6V65 F68 V152 K153 R158 L159 F160 F190 F193 V194 L199 I200V65-F156 HydrophobicContact CB-CZ 4.39Å; V65-F156 HydrophobicContact CG2-CD2 4.33Å; V65-F156 HydrophobicContact CG2-CE2 3.46Å; V65-F156 VanDerWaalsContact CG2-CE2 3.46Å; V65-F156 HydrophobicContact CG2-CZ 3.66Å; F68-F156 HydrophobicContact CB-CE1 4.06Å; F68-F156 AromaticContact CD2-CE1 3.53Å; F68-F156 HydrophobicContact CD2-CE1 3.53Å; F68-F156 AromaticContact CD2-CZ 3.9Å; F68-F156 HydrophobicContact CD2-CZ 3.9Å; F68-F156 HydrophobicContact CE2-CE1 4.33Å; F68-F156 HydrophobicContact CG-CE1 4.09Å; V152-F156 HydrophobicContact CG1-CD2 3.47Å; V152-F156 VanDerWaalsContact CG1-CD2 3.47Å; V152-F156 HydrophobicContact CG1-CE2 3.54Å; V152-F156 WeakPolarHBondContact O-CD2 3.34Å; V152-F156 PolarHBondContact O-N 3.49Å; K153-F156 PolarHBondContact O-N 2.87Å; F156-R158 PolarHBondContact O-N 3.22Å; F156-L159 PolarHBondContact O-N 3.28Å; F156-F160 WeakPolarHBondContact O-CB 3.3Å; F156-F160 PolarHBondContact O-N 3.46Å; F156-F190 HydrophobicContact CB-CZ 4.45Å; F156-F190 HydrophobicContact CD1-CD2 4.27Å; F156-F190 AromaticContact CD1-CE2 3.5Å; F156-F190 HydrophobicContact CD1-CE2 3.5Å; F156-F190 AromaticContact CD1-CZ 3.89Å; F156-F190 HydrophobicContact CD1-CZ 3.89Å; F156-F190 HydrophobicContact CE1-CD2 4.4Å; F156-F190 HydrophobicContact CE1-CE2 4.03Å; F156-F193 HydrophobicContact CE2-CD1 4.34Å; F156-F193 HydrophobicContact CE2-CE1 4.01Å; F156-F193 AromaticContact CZ-CD1 3.96Å; F156-F193 HydrophobicContact CZ-CD1 3.96Å; F156-F193 AromaticContact CZ-CE1 3.84Å; F156-F193 HydrophobicContact CZ-CE1 3.84Å; F156-V194 HydrophobicContact CB-CG1 4.08Å; F156-V194 HydrophobicContact CD1-CG1 3.73Å; F156-V194 HydrophobicContact CD2-CG1 4.4Å; F156-V194 HydrophobicContact CE1-CG1 4.24Å; F156-V194 HydrophobicContact CG-CG1 3.83Å; F156-L199 HydrophobicContact CD2-CB 4.05Å; F156-L199 HydrophobicContact CD2-CD1 3.7Å; F156-L199 HydrophobicContact CD2-CG 4.46Å; F156-L199 HydrophobicContact CE2-CD1 3.55Å; F156-I200 HydrophobicContact CB-CD1 3.94Å; F156-I200 HydrophobicContact CB-CG1 3.87Å
157G98.3Very high98.1Very high4 Ų422.3 Ų22.34%0.04112%0.116CC..Hα-helixtrans-59.5-33.9176.400000113.1K153 I155K153-G157 PolarHBondContact O-N 3.25Å; I155-G157 PolarHBondContact O-N 2.86Å
158R98.4Very high98Very high22 Ų2223.6 Ų23.68%0.08312%0.118CC..Hα-helixtrans-78-41.1175.2-71.1178.2174.1-151.5-7.7113.2W101 R102 L122 K154 I155 F156 F160 R161W101-R158 VanDerWaalsContact CH2-NH1 3.26Å; R102-R158 PolarHBondContact O-NH2 3.3Å; L122-R158 HydrophobicContact CD1-CB 3.46Å; L122-R158 VanDerWaalsContact CD1-CB 3.46Å; L122-R158 HydrophobicContact CD1-CG 4.31Å; L122-R158 HydrophobicContact CD2-CB 4.33Å; L122-R158 WeakPolarHBondContact CD2-O 3.5Å; K154-R158 WeakPolarHBondContact O-CB 3.46Å; K154-R158 VanDerWaalsContact O-CG 3.26Å; K154-R158 WeakPolarHBondContact O-CG 3.31Å; K154-R158 PolarHBondContact O-N 3.3Å; K154-R158 VanDerWaalsContact O-N 3.16Å; I155-R158 PolarHBondContact O-N 2.79Å; F156-R158 PolarHBondContact O-N 3.22Å; R158-F160 VanDerWaalsContact C-N 3.28Å; R158-F160 PolarHBondContact O-N 2.92Å; R158-R161 VanDerWaalsContact O-CB 3.29Å; R158-R161 WeakPolarHBondContact O-CB 2.88Å; R158-R161 PolarHBondContact O-N 3.49Å; R158-R161 VanDerWaalsContact O-N 3.15Å
159L98.6Very high98Very high0 Ų027 Ų270%013%0.134CC..Hα-helixtrans-62.2-36.1175.4-76.8178.2000111.8I72 L122 V126 I155 F156 R161 V162 F190I72-L159 HydrophobicContact CD1-CB 3.71Å; I72-L159 HydrophobicContact CD1-CD1 4.23Å; I72-L159 HydrophobicContact CD1-CD2 4.19Å; I72-L159 HydrophobicContact CD1-CG 4.26Å; I72-L159 HydrophobicContact CG2-CD2 4.34Å; L122-L159 HydrophobicContact CD2-CD2 4.49Å; V126-L159 HydrophobicContact CG2-CD2 4.38Å; V126-L159 HydrophobicContact CG2-CG 4.46Å; I155-L159 HydrophobicContact CG2-CD1 3.66Å; I155-L159 HydrophobicContact CG2-CG 4.19Å; I155-L159 WeakPolarHBondContact O-CB 3.32Å; I155-L159 WeakPolarHBondContact O-CG 3.14Å; I155-L159 PolarHBondContact O-N 3.47Å; F156-L159 PolarHBondContact O-N 3.28Å; L159-R161 PolarHBondContact O-N 2.91Å; L159-V162 WeakPolarHBondContact O-CB 3.48Å; L159-V162 PolarHBondContact O-N 3.07Å; L159-F190 HydrophobicContact CB-CE2 4.3Å
160F98.6Very high97.9Very high3 Ų324.9 Ų24.91%0.01312%0.122CC..Hα-helixtrans-55.5-36.3173.4174.9-104.8000112.4F156 R158 V162 F163 V164 Y187 F190 I200 E204 L205 P207 L208F156-F160 WeakPolarHBondContact O-CB 3.3Å; F156-F160 PolarHBondContact O-N 3.46Å; R158-F160 VanDerWaalsContact C-N 3.28Å; R158-F160 PolarHBondContact O-N 2.92Å; F160-V162 PolarHBondContact O-N 3.32Å; F160-V162 VanDerWaalsContact O-N 3.16Å; F160-F163 WeakPolarHBondContact O-CA 3.35Å; F160-F163 WeakPolarHBondContact O-CB 3.22Å; F160-F163 PolarHBondContact O-N 3.26Å; F160-V164 HydrophobicContact CD1-CG2 3.77Å; F160-V164 HydrophobicContact CE1-CG2 3.28Å; F160-V164 HydrophobicContact CE2-CG2 4.29Å; F160-V164 HydrophobicContact CG-CG2 4.43Å; F160-V164 HydrophobicContact CZ-CG2 3.59Å; F160-V164 WeakPolarHBondContact O-CG2 2.95Å; F160-V164 PolarHBondContact O-N 2.7Å; F160-Y187 HydrophobicContact CD2-CE2 4.21Å; F160-Y187 AromaticContact CE2-CE2 3.8Å; F160-Y187 HydrophobicContact CE2-CE2 3.8Å; F160-F190 HydrophobicContact CB-CE1 3.93Å; F160-F190 HydrophobicContact CB-CZ 3.92Å; F160-F190 AromaticContact CD2-CE1 3.96Å; F160-F190 HydrophobicContact CD2-CE1 3.96Å; F160-F190 HydrophobicContact CG-CE1 4.41Å; F160-I200 HydrophobicContact CB-CD1 3.95Å; F160-I200 HydrophobicContact CG-CD1 4.5Å; F160-E204 WeakPolarHBondContact CE1-O 3.36Å; F160-L205 HydrophobicContact CD1-CD2 4.44Å; F160-L205 HydrophobicContact CD2-CD2 3.78Å; F160-L205 HydrophobicContact CE1-CD2 4.36Å; F160-L205 HydrophobicContact CE2-CD2 3.64Å; F160-L205 HydrophobicContact CG-CD2 4.18Å; F160-L205 HydrophobicContact CZ-CB 4.48Å; F160-L205 HydrophobicContact CZ-CD2 3.97Å; F160-P207 HydrophobicContact CE1-CG 4.46Å; F160-L208 HydrophobicContact CE2-CB 4.38Å; F160-L208 HydrophobicContact CE2-CD1 3.83Å; F160-L208 HydrophobicContact CE2-CG 4.36Å; F160-L208 HydrophobicContact CZ-CB 4.12Å; F160-L208 HydrophobicContact CZ-CD1 4.04Å; F160-L208 HydrophobicContact CZ-CG 4.1Å
161R98.2Very high97.8Very high50 Ų5024.6 Ų24.619%0.18911%0.112CC..Hα-helixtrans-60.4-28177.8-56.8169.9-173.2-162-8.1112.4M91 Y99 Y118 R158 L159 V164 H165M91-R161 HydrophobicContact CE-CB 3.88Å; M91-R161 VanDerWaalsContact CE-O 3.23Å; M91-R161 WeakPolarHBondContact CE-O 3.42Å; Y99-R161 HydrophobicContact CD1-CG 3.9Å; Y99-R161 HydrophobicContact CD2-CB 4.04Å; Y99-R161 HydrophobicContact CD2-CG 4.12Å; Y99-R161 HydrophobicContact CE1-CG 3.86Å; Y99-R161 HydrophobicContact CE2-CB 4.01Å; Y99-R161 HydrophobicContact CE2-CG 4.06Å; Y99-R161 HydrophobicContact CG-CB 4.37Å; Y99-R161 HydrophobicContact CG-CG 4.02Å; Y118-R161 VanDerWaalsContact OH-CD 3.24Å; Y118-R161 WeakPolarHBondContact OH-CD 3.31Å; Y118-R161 PolarHBondContact OH-NH1 3.41Å; R158-R161 VanDerWaalsContact O-CB 3.29Å; R158-R161 WeakPolarHBondContact O-CB 2.88Å; R158-R161 PolarHBondContact O-N 3.49Å; R158-R161 VanDerWaalsContact O-N 3.15Å; L159-R161 PolarHBondContact O-N 2.91Å; R161-V164 PolarHBondContact O-N 2.92Å; R161-H165 WeakPolarHBondContact O-CB 3.22Å; R161-H165 PolarHBondContact O-N 3.4Å
162V98.3Very high97.6Very high1 Ų129.5 Ų29.51%0.00614%0.138CC..Hα-helixtrans-68.9-42.9174.6-172.20000110.4I72 I119 L122 M123 L159 F160 V164 H165 V166I72-V162 HydrophobicContact CG2-CB 3.65Å; I72-V162 HydrophobicContact CG2-CG1 3.61Å; I72-V162 HydrophobicContact CG2-CG2 4.06Å; I119-V162 HydrophobicContact CD1-CG1 4.47Å; I119-V162 HydrophobicContact CG1-CG2 4.42Å; L122-V162 HydrophobicContact CD2-CG2 3.56Å; M123-V162 HydrophobicContact CE-CG2 4.46Å; L159-V162 WeakPolarHBondContact O-CB 3.48Å; L159-V162 PolarHBondContact O-N 3.07Å; F160-V162 PolarHBondContact O-N 3.32Å; F160-V162 VanDerWaalsContact O-N 3.16Å; V162-V164 PolarHBondContact O-N 2.76Å; V162-H165 PolarHBondContact O-N 3.45Å; V162-V166 HydrophobicContact CG1-CG2 4.23Å; V162-V166 WeakPolarHBondContact O-CB 3.43Å; V162-V166 VanDerWaalsContact O-CG2 3.22Å; V162-V166 WeakPolarHBondContact O-CG2 3.4Å; V162-V166 PolarHBondContact O-N 3.27Å
163F98.2Very high97.3Very high2 Ų232.1 Ų32.11%0.00915%0.147CC..Hα-helixtrans-58.4-49171.8-78.2-67.2000111.2I72 I75 F160 H165 V166 Y167 V183 C186 Y187 F190 L208I72-F163 HydrophobicContact CD1-CD2 4.17Å; I72-F163 HydrophobicContact CD1-CE2 3.55Å; I72-F163 HydrophobicContact CD1-CZ 4.2Å; I72-F163 HydrophobicContact CG1-CD2 4.46Å; I72-F163 HydrophobicContact CG1-CE2 3.7Å; I72-F163 HydrophobicContact CG1-CZ 3.84Å; I75-F163 HydrophobicContact CD1-CE1 3.82Å; I75-F163 HydrophobicContact CD1-CZ 4.23Å; F160-F163 WeakPolarHBondContact O-CA 3.35Å; F160-F163 WeakPolarHBondContact O-CB 3.22Å; F160-F163 PolarHBondContact O-N 3.26Å; F163-H165 VanDerWaalsContact C-N 3.32Å; F163-H165 PolarHBondContact O-N 2.85Å; F163-V166 PolarHBondContact O-N 2.94Å; F163-Y167 HydrophobicContact CB-CD2 4.28Å; F163-Y167 HydrophobicContact CB-CE2 4.43Å; F163-Y167 HydrophobicContact CD1-CD2 4.48Å; F163-Y167 AromaticContact CD1-CE2 3.93Å; F163-Y167 HydrophobicContact CD1-CE2 3.93Å; F163-Y167 WeakPolarHBondContact O-CB 3.48Å; F163-Y167 WeakPolarHBondContact O-CD2 3.08Å; F163-Y167 PolarHBondContact O-N 3.45Å; F163-V183 HydrophobicContact CD1-CG1 4.42Å; F163-V183 HydrophobicContact CE1-CG1 4.32Å; F163-C186 HydrophobicContact CE1-CB 4.46Å; F163-C186 HydrophobicContact CZ-CB 4.39Å; F163-Y187 HydrophobicContact CB-CD2 4.13Å; F163-Y187 HydrophobicContact CB-CE2 4.49Å; F163-Y187 AromaticContact CD1-CD2 3.97Å; F163-Y187 HydrophobicContact CD1-CD2 3.97Å; F163-Y187 HydrophobicContact CD1-CG 4.37Å; F163-Y187 HydrophobicContact CD2-CD2 4.04Å; F163-Y187 HydrophobicContact CE1-CD2 4.35Å; F163-Y187 HydrophobicContact CE2-CD2 4.41Å; F163-Y187 AromaticContact CG-CD2 3.8Å; F163-Y187 HydrophobicContact CG-CD2 3.8Å; F163-F190 HydrophobicContact CD2-CD1 4.36Å; F163-F190 HydrophobicContact CD2-CD2 4.47Å; F163-F190 HydrophobicContact CD2-CG 4.31Å; F163-F190 HydrophobicContact CE2-CB 3.9Å; F163-F190 HydrophobicContact CE2-CD1 4.15Å; F163-F190 AromaticContact CE2-CD2 3.72Å; F163-F190 HydrophobicContact CE2-CD2 3.72Å; F163-F190 HydrophobicContact CE2-CE2 4.2Å; F163-F190 AromaticContact CE2-CG 3.66Å; F163-F190 HydrophobicContact CE2-CG 3.66Å; F163-F190 HydrophobicContact CZ-CB 4.28Å; F163-L208 HydrophobicContact CB-CD1 3.98Å
164V98.2Very high97Very high0 Ų028.4 Ų28.40%013%0.131CC..Hα-helixtrans-54.2-51.8178-179.10000110.4Y99 F160 R161 V162 V166 Y167 I168 P207 L208Y99-V164 HydrophobicContact CE2-CB 4.47Å; Y99-V164 HydrophobicContact CE2-CG1 4.28Å; F160-V164 HydrophobicContact CD1-CG2 3.77Å; F160-V164 HydrophobicContact CE1-CG2 3.28Å; F160-V164 HydrophobicContact CE2-CG2 4.29Å; F160-V164 HydrophobicContact CG-CG2 4.43Å; F160-V164 HydrophobicContact CZ-CG2 3.59Å; F160-V164 WeakPolarHBondContact O-CG2 2.95Å; F160-V164 PolarHBondContact O-N 2.7Å; R161-V164 PolarHBondContact O-N 2.92Å; V162-V164 PolarHBondContact O-N 2.76Å; V164-V166 PolarHBondContact O-N 2.67Å; V164-Y167 PolarHBondContact O-N 3.28Å; V164-I168 HydrophobicContact CG1-CG1 4.35Å; V164-I168 WeakPolarHBondContact O-CB 3.36Å; V164-I168 WeakPolarHBondContact O-CG1 2.98Å; V164-I168 PolarHBondContact O-N 3.01Å; V164-P207 HydrophobicContact CG1-CB 3.78Å; V164-P207 HydrophobicContact CG2-CB 3.98Å; V164-L208 HydrophobicContact CG2-CD1 4.06Å; V164-L208 HydrophobicContact CG2-CG 3.99Å
165H98.1Very high96.7Very high0 Ų030.4 Ų30.40%014%0.142CC..Hα-helixtrans-60.1-47.2-179.2175.764.8000112.3C83 M91 A115 R161 V162 F163 I168 H169 H170C83-H165 PolarHBondContact SG-NE2 3.4Å; M91-H165 HydrophobicContact CE-CB 3.65Å; M91-H165 HydrophobicContact SD-CB 4.09Å; A115-H165 WeakPolarHBondContact CB-CE1 3.45Å; R161-H165 WeakPolarHBondContact O-CB 3.22Å; R161-H165 PolarHBondContact O-N 3.4Å; V162-H165 PolarHBondContact O-N 3.45Å; F163-H165 VanDerWaalsContact C-N 3.32Å; F163-H165 PolarHBondContact O-N 2.85Å; H165-I168 PolarHBondContact O-N 3.34Å; H165-H169 AromaticContact CE1-CD2 3.92Å; H165-H169 AromaticContact ND1-CD2 3.41Å; H165-H169 PolarHBondContact ND1-CD2 2.73Å; H165-H169 WeakPolarHBondContact O-CB 3.25Å; H165-H169 PolarHBondContact O-N 3.04Å; H165-H170 AromaticContact CD2-CD2 3.95Å; H165-H170 AromaticContact CE1-NE2 3.79Å; H165-H170 AromaticContact NE2-CD2 3.43Å; H165-H170 PolarHBondContact NE2-CD2 3.44Å; H165-H170 AromaticContact NE2-NE2 3.28Å; H165-H170 PolarHBondContact NE2-NE2 3.19Å
166V97.5Very high96.4Very high0 Ų036.8 Ų36.80%017%0.171CC..Hα-helixtrans-63.9-45.9-179169.70000111.5I75 I79 V162 F163 V164 I168 H170 F171 L174I75-V166 HydrophobicContact CG2-CG1 4.14Å; I75-V166 HydrophobicContact CG2-CG2 4.37Å; I79-V166 HydrophobicContact CD1-CG2 4.38Å; I79-V166 HydrophobicContact CG1-CG2 4.17Å; V162-V166 HydrophobicContact CG1-CG2 4.23Å; V162-V166 WeakPolarHBondContact O-CB 3.43Å; V162-V166 VanDerWaalsContact O-CG2 3.22Å; V162-V166 WeakPolarHBondContact O-CG2 3.4Å; V162-V166 PolarHBondContact O-N 3.27Å; F163-V166 PolarHBondContact O-N 2.94Å; V164-V166 PolarHBondContact O-N 2.67Å; V166-I168 VanDerWaalsContact C-N 3.34Å; V166-I168 PolarHBondContact O-N 3.45Å; V166-H170 CarbonylContact O-C 3.33Å; V166-H170 VanDerWaalsContact O-C 3.23Å; V166-H170 VanDerWaalsContact O-CA 3.31Å; V166-H170 WeakPolarHBondContact O-CA 3.33Å; V166-H170 WeakPolarHBondContact O-CB 3.28Å; V166-H170 PolarHBondContact O-N 2.94Å; V166-F171 PolarHBondContact O-N 3.29Å; V166-L174 HydrophobicContact CG1-CD1 3.61Å; V166-L174 HydrophobicContact CG1-CD2 4.32Å; V166-L174 HydrophobicContact CG1-CG 4.13Å
167Y96.9Very high96Very high17 Ų1738.4 Ų38.47%0.06718%0.18CC..Hα-helixtrans-68.4-30.5179.6-82.9-65.5000113.6F163 V164 F171 V183 N184 Y187 L208 L211F163-Y167 HydrophobicContact CB-CD2 4.28Å; F163-Y167 HydrophobicContact CB-CE2 4.43Å; F163-Y167 HydrophobicContact CD1-CD2 4.48Å; F163-Y167 AromaticContact CD1-CE2 3.93Å; F163-Y167 HydrophobicContact CD1-CE2 3.93Å; F163-Y167 WeakPolarHBondContact O-CB 3.48Å; F163-Y167 WeakPolarHBondContact O-CD2 3.08Å; F163-Y167 PolarHBondContact O-N 3.45Å; V164-Y167 PolarHBondContact O-N 3.28Å; Y167-F171 AromaticContact CD1-CD2 3.9Å; Y167-F171 HydrophobicContact CD1-CD2 3.9Å; Y167-F171 HydrophobicContact CD1-CE2 4.25Å; Y167-F171 HydrophobicContact CE1-CD2 4.37Å; Y167-F171 HydrophobicContact CE1-CE2 4.35Å; Y167-F171 WeakPolarHBondContact O-CB 3.23Å; Y167-V183 HydrophobicContact CE1-CG1 4.32Å; Y167-V183 HydrophobicContact CE2-CG1 4.1Å; Y167-V183 PolarHBondContact OH-O 3.16Å; Y167-N184 WeakPolarHBondContact CE1-OD1 3.5Å; Y167-N184 VanDerWaalsContact OH-CA 3.29Å; Y167-N184 WeakPolarHBondContact OH-CA 3.41Å; Y167-N184 PolarHBondContact OH-N 3.41Å; Y167-N184 PolarHBondContact OH-OD1 2.9Å; Y167-Y187 HydrophobicContact CE2-CD1 4.27Å; Y167-Y187 HydrophobicContact CE2-CD2 4.33Å; Y167-Y187 AromaticContact CE2-CG 3.91Å; Y167-Y187 HydrophobicContact CE2-CG 3.91Å; Y167-Y187 WeakPolarHBondContact OH-CB 3.49Å; Y167-L208 HydrophobicContact CD2-CD1 3.88Å; Y167-L208 HydrophobicContact CD2-CD2 4.26Å; Y167-L208 HydrophobicContact CE2-CD1 4.48Å; Y167-L208 HydrophobicContact CG-CD2 4.36Å; Y167-L211 HydrophobicContact CD1-CD2 3.66Å; Y167-L211 HydrophobicContact CD2-CD2 3.6Å; Y167-L211 HydrophobicContact CE1-CD1 4.46Å; Y167-L211 HydrophobicContact CE1-CD2 3.61Å; Y167-L211 HydrophobicContact CE2-CD2 3.55Å; Y167-L211 HydrophobicContact CG-CD2 3.67Å
168I95.7Very high95.7Very high83 Ų8340.4 Ų40.443%0.42620%0.2SC..Hα-helixtrans-87.6-39.1-177.4-61.5-63.3000112.1V164 H165 V166V164-I168 HydrophobicContact CG1-CG1 4.35Å; V164-I168 WeakPolarHBondContact O-CB 3.36Å; V164-I168 WeakPolarHBondContact O-CG1 2.98Å; V164-I168 PolarHBondContact O-N 3.01Å; H165-I168 PolarHBondContact O-N 3.34Å; V166-I168 VanDerWaalsContact C-N 3.34Å; V166-I168 PolarHBondContact O-N 3.45Å
169H96.4Very high95.4Very high76 Ų7639.4 Ų39.435%0.35220%0.197SC..Hα-helixtrans-109.5-16.9-170.9-63.1-80.6000114.4S92 H165S92-H169 PolarHBondContact O-CD2 3.37Å; S92-H169 VanDerWaalsContact O-CD2 3.3Å; S92-H169 PolarHBondContact O-NE2 3.4Å; S92-H169 PolarHBondContact OG-NE2 3.27Å; S92-H169 VanDerWaalsContact OG-NE2 3.1Å; H165-H169 AromaticContact CE1-CD2 3.92Å; H165-H169 AromaticContact ND1-CD2 3.41Å; H165-H169 PolarHBondContact ND1-CD2 2.73Å; H165-H169 WeakPolarHBondContact O-CB 3.25Å; H165-H169 PolarHBondContact O-N 3.04Å
170H96.4Very high95Very high11 Ų1142.3 Ų42.35%0.05121%0.21CC..SBendtrans-130.417.1-173.1-63.2-62.8000113.6I79 C83 C88 H165 V166 D172 R173 L174I79-H170 HydrophobicContact CB-CB 4.14Å; I79-H170 HydrophobicContact CG1-CB 4.29Å; I79-H170 HydrophobicContact CG2-CB 4.12Å; C83-H170 WeakPolarHBondContact CB-NE2 3.44Å; C88-H170 PolarHBondContact SG-NE2 3.36Å; C88-H170 VanDerWaalsContact SG-NE2 3.43Å; H165-H170 AromaticContact CD2-CD2 3.95Å; H165-H170 AromaticContact CE1-NE2 3.79Å; H165-H170 AromaticContact NE2-CD2 3.43Å; H165-H170 PolarHBondContact NE2-CD2 3.44Å; H165-H170 AromaticContact NE2-NE2 3.28Å; H165-H170 PolarHBondContact NE2-NE2 3.19Å; V166-H170 CarbonylContact O-C 3.33Å; V166-H170 VanDerWaalsContact O-C 3.23Å; V166-H170 VanDerWaalsContact O-CA 3.31Å; V166-H170 WeakPolarHBondContact O-CA 3.33Å; V166-H170 WeakPolarHBondContact O-CB 3.28Å; V166-H170 PolarHBondContact O-N 2.94Å; H170-D172 PolarHBondContact O-N 3.31Å; H170-R173 WeakPolarHBondContact O-CB 3.47Å; H170-R173 PolarHBondContact O-N 2.86Å; H170-L174 PolarHBondContact O-N 3.43Å; H170-L174 VanDerWaalsContact O-N 3.07Å
171F95.1Very high94.7Very high67 Ų6745 Ų4529%0.29423%0.233SC..Hα-helixtrans-63.6-42179.4-171.9-103000112.8V166 Y167 R173 L174 H175 E180V166-F171 PolarHBondContact O-N 3.29Å; Y167-F171 AromaticContact CD1-CD2 3.9Å; Y167-F171 HydrophobicContact CD1-CD2 3.9Å; Y167-F171 HydrophobicContact CD1-CE2 4.25Å; Y167-F171 HydrophobicContact CE1-CD2 4.37Å; Y167-F171 HydrophobicContact CE1-CE2 4.35Å; Y167-F171 WeakPolarHBondContact O-CB 3.23Å; F171-R173 PolarHBondContact O-N 3.35Å; F171-L174 WeakPolarHBondContact O-CA 3.19Å; F171-L174 WeakPolarHBondContact O-CB 3.29Å; F171-L174 PolarHBondContact O-N 3.46Å; F171-H175 PolarHBondContact O-N 3.13Å; F171-E180 HydrophobicContact CE2-CG 3.72Å; F171-E180 VanDerWaalsContact CZ-CD 3.43Å; F171-E180 HydrophobicContact CZ-CG 3.85Å
172D94.7Very high94.2Very high125 Ų12543.6 Ų43.667%0.66823%0.229SC*.Hα-helixtrans-55.8-41.3175.5-63.7-20.2000110.9H170 H175 E176H170-D172 PolarHBondContact O-N 3.31Å; D172-H175 WeakPolarHBondContact O-CB 3.33Å; D172-H175 PolarHBondContact O-N 3.46Å; D172-E176 WeakPolarHBondContact O-CG 3.23Å; D172-E176 PolarHBondContact O-N 2.82Å
173R91.9Very high94Very high54 Ų5443.6 Ų43.620%0.20423%0.228CC..Hα-helixtrans-64.9-41.6176.1-179.757.2-178.9158.13.1112.2I79 H170 F171 H175 E176 I177I79-R173 HydrophobicContact CB-CG 4.44Å; I79-R173 HydrophobicContact CG2-CB 4.3Å; I79-R173 HydrophobicContact CG2-CG 3.8Å; H170-R173 WeakPolarHBondContact O-CB 3.47Å; H170-R173 PolarHBondContact O-N 2.86Å; F171-R173 PolarHBondContact O-N 3.35Å; R173-H175 VanDerWaalsContact C-N 3.25Å; R173-H175 PolarHBondContact O-N 2.66Å; R173-E176 WeakPolarHBondContact CD-OE2 3.29Å; R173-E176 IonicContact CZ-OE2 3.43Å; R173-E176 IonicContact NH1-OE2 3.88Å; R173-E176 PolarHBondContact NH1-OE2 3.04Å; R173-E176 PolarHBondContact O-N 3.38Å; R173-I177 VanDerWaalsContact NH1-CG2 3.28Å; R173-I177 WeakPolarHBondContact O-CG1 3.47Å; R173-I177 PolarHBondContact O-N 2.85Å
174L91.8Very high93.9Very high0 Ų044.5 Ų44.50%023%0.233CC..Hα-helixtrans-61.8-37.3175-67.1-175.9000111.9I79 V166 H170 F171 G178 A179 E180 V183I79-L174 HydrophobicContact CG2-CD2 3.94Å; V166-L174 HydrophobicContact CG1-CD1 3.61Å; V166-L174 HydrophobicContact CG1-CD2 4.32Å; V166-L174 HydrophobicContact CG1-CG 4.13Å; H170-L174 PolarHBondContact O-N 3.43Å; H170-L174 VanDerWaalsContact O-N 3.07Å; F171-L174 WeakPolarHBondContact O-CA 3.19Å; F171-L174 WeakPolarHBondContact O-CB 3.29Å; F171-L174 PolarHBondContact O-N 3.46Å; L174-G178 PolarHBondContact O-N 3.37Å; L174-A179 HydrophobicContact CD2-CB 4.18Å; L174-A179 PolarHBondContact O-N 2.78Å; L174-E180 PolarHBondContact O-N 3.21Å; L174-V183 HydrophobicContact CD1-CB 4.02Å; L174-V183 HydrophobicContact CD1-CG1 3.99Å; L174-V183 HydrophobicContact CD1-CG2 3.75Å; L174-V183 HydrophobicContact CD2-CG2 3.8Å; L174-V183 HydrophobicContact CG-CG2 4.38Å
175H91.6Very high93.6Very high123 Ų12345.9 Ų45.957%0.56924%0.242SC*.Hα-helixtrans-67.5-48.4176.7-170.378.1000111.2F171 D172 R173 I177 G178 E180F171-H175 PolarHBondContact O-N 3.13Å; D172-H175 WeakPolarHBondContact O-CB 3.33Å; D172-H175 PolarHBondContact O-N 3.46Å; R173-H175 VanDerWaalsContact C-N 3.25Å; R173-H175 PolarHBondContact O-N 2.66Å; H175-I177 VanDerWaalsContact C-N 3.26Å; H175-I177 PolarHBondContact O-N 3.02Å; H175-G178 PolarHBondContact O-N 2.94Å; H175-E180 IonicContact ND1-OE2 3.26Å; H175-E180 PolarHBondContact ND1-OE2 2.91Å
176E92Very high93.5Very high134 Ų13445.9 Ų45.963%0.62624%0.242SC*.Hα-helixtrans-53.2-39.9177-75.8171.9-171.700113.4D172 R173D172-E176 WeakPolarHBondContact O-CG 3.23Å; D172-E176 PolarHBondContact O-N 2.82Å; R173-E176 WeakPolarHBondContact CD-OE2 3.29Å; R173-E176 IonicContact CZ-OE2 3.43Å; R173-E176 IonicContact NH1-OE2 3.88Å; R173-E176 PolarHBondContact NH1-OE2 3.04Å; R173-E176 PolarHBondContact O-N 3.38Å
177I92Very high93.5Very high35 Ų3545.9 Ų45.918%0.17924%0.242CC..THydrogen-bonded Turntrans-92.32.3-178.769.6-178.7000113.4R173 H175 A179R173-I177 VanDerWaalsContact NH1-CG2 3.28Å; R173-I177 WeakPolarHBondContact O-CG1 3.47Å; R173-I177 PolarHBondContact O-N 2.85Å; H175-I177 VanDerWaalsContact C-N 3.26Å; H175-I177 PolarHBondContact O-N 3.02Å; I177-A179 HydrophobicContact CD1-CB 3.7Å; I177-A179 HydrophobicContact CG1-CB 3.55Å; I177-A179 PolarHBondContact O-N 2.95Å
178G91.2Very high93.5Very high46 Ų4648 Ų4847%0.47425%0.251SS..THydrogen-bonded Turntrans64.623.1-177.100000114.3L174 H175L174-G178 PolarHBondContact O-N 3.37Å; H175-G178 PolarHBondContact O-N 2.94Å
179A91.8Very high93.5Very high0 Ų044 Ų440%023%0.231CC..  trans-88.2-10.4-178.900000113.5F10 L174 I177 A181 H182 V183F10-A179 HydrophobicContact CE1-CB 4.21Å; F10-A179 HydrophobicContact CZ-CB 4.14Å; L174-A179 HydrophobicContact CD2-CB 4.18Å; L174-A179 PolarHBondContact O-N 2.78Å; I177-A179 HydrophobicContact CD1-CB 3.7Å; I177-A179 HydrophobicContact CG1-CB 3.55Å; I177-A179 PolarHBondContact O-N 2.95Å; A179-A181 PolarHBondContact O-N 3.49Å; A179-H182 WeakPolarHBondContact O-CB 3.48Å; A179-H182 PolarHBondContact O-N 3.18Å; A179-V183 WeakPolarHBondContact O-CG2 3.07Å; A179-V183 PolarHBondContact O-N 3.49Å
180E91.2Very high93.5Very high61 Ų6140.4 Ų40.429%0.28521%0.214SC..Hα-helixtrans-48.8-53.2-174.7-173.4-168.9153.800113.4F171 L174 H175 H182 V183 N184F171-E180 HydrophobicContact CE2-CG 3.72Å; F171-E180 VanDerWaalsContact CZ-CD 3.43Å; F171-E180 HydrophobicContact CZ-CG 3.85Å; L174-E180 PolarHBondContact O-N 3.21Å; H175-E180 IonicContact ND1-OE2 3.26Å; H175-E180 PolarHBondContact ND1-OE2 2.91Å; E180-H182 PolarHBondContact O-N 3.43Å; E180-V183 PolarHBondContact O-N 2.89Å; E180-N184 WeakPolarHBondContact O-CB 3.31Å; E180-N184 VanDerWaalsContact O-CG 3.27Å; E180-N184 PolarHBondContact O-N 2.88Å
181A91.1Very high93.6Very high59 Ų5941.7 Ų41.749%0.48822%0.219SC..Hα-helixtrans-58.5-37.1-178.800000112.3A179 N184 T185A179-A181 PolarHBondContact O-N 3.49Å; A181-N184 PolarHBondContact O-N 2.73Å; A181-T185 PolarHBondContact O-N 3.4Å; A181-T185 PolarHBondContact O-OG1 3.43Å
182H88.3Confident93.7Very high22 Ų2239.5 Ų39.510%0.10221%0.209CC..Hα-helixtrans-71.3-42.5179.9-64.593.1000111.9A2 G5 F6 I9 F10 A179 E180 N184 T185 C186A2-H182 PolarHBondContact O-CD2 3.22Å; G5-H182 VanDerWaalsContact C-NE2 3.33Å; F6-H182 VanDerWaalsContact CA-CD2 3.43Å; F6-H182 WeakPolarHBondContact CA-CD2 3.41Å; F6-H182 HydrophobicContact CD2-CB 3.74Å; F6-H182 HydrophobicContact CE2-CB 4.16Å; F6-H182 PolarHBondContact N-CD2 2.83Å; F6-H182 PolarHBondContact N-NE2 3.25Å; I9-H182 WeakPolarHBondContact CD1-CE1 3.47Å; F10-H182 HydrophobicContact CE2-CB 3.84Å; F10-H182 HydrophobicContact CZ-CB 4.11Å; A179-H182 WeakPolarHBondContact O-CB 3.48Å; A179-H182 PolarHBondContact O-N 3.18Å; E180-H182 PolarHBondContact O-N 3.43Å; H182-N184 VanDerWaalsContact C-N 3.34Å; H182-T185 PolarHBondContact O-N 2.71Å; H182-C186 WeakPolarHBondContact O-CB 3.39Å; H182-C186 PolarHBondContact O-N 2.84Å
183V94.5Very high93.9Very high0 Ų033.5 Ų33.50%018%0.177CC..Hα-helixtrans-64.5-41.9174.4-175.50000110I75 F163 Y167 L174 A179 E180 T185 C186 Y187I75-V183 HydrophobicContact CD1-CG1 4.28Å; I75-V183 HydrophobicContact CG1-CG2 4.22Å; I75-V183 HydrophobicContact CG2-CG1 4.21Å; I75-V183 HydrophobicContact CG2-CG2 4.11Å; F163-V183 HydrophobicContact CD1-CG1 4.42Å; F163-V183 HydrophobicContact CE1-CG1 4.32Å; Y167-V183 HydrophobicContact CE1-CG1 4.32Å; Y167-V183 HydrophobicContact CE2-CG1 4.1Å; Y167-V183 PolarHBondContact OH-O 3.16Å; L174-V183 HydrophobicContact CD1-CB 4.02Å; L174-V183 HydrophobicContact CD1-CG1 3.99Å; L174-V183 HydrophobicContact CD1-CG2 3.75Å; L174-V183 HydrophobicContact CD2-CG2 3.8Å; L174-V183 HydrophobicContact CG-CG2 4.38Å; A179-V183 WeakPolarHBondContact O-CG2 3.07Å; A179-V183 PolarHBondContact O-N 3.49Å; E180-V183 PolarHBondContact O-N 2.89Å; V183-T185 PolarHBondContact O-N 3.29Å; V183-C186 WeakPolarHBondContact O-CB 3.17Å; V183-C186 PolarHBondContact O-N 2.86Å; V183-C186 VanDerWaalsContact O-N 3.15Å; V183-Y187 WeakPolarHBondContact O-CB 3.5Å; V183-Y187 PolarHBondContact O-N 2.71Å
184N94.9Very high94.2Very high21 Ų2131 Ų3111%0.11217%0.167CC..Hα-helixtrans-59.4-47.2175.3-72.5-13.6000112.1Y167 E180 A181 H182 C186 Y187 K188 I215Y167-N184 WeakPolarHBondContact CE1-OD1 3.5Å; Y167-N184 VanDerWaalsContact OH-CA 3.29Å; Y167-N184 WeakPolarHBondContact OH-CA 3.41Å; Y167-N184 PolarHBondContact OH-N 3.41Å; Y167-N184 PolarHBondContact OH-OD1 2.9Å; E180-N184 WeakPolarHBondContact O-CB 3.31Å; E180-N184 VanDerWaalsContact O-CG 3.27Å; E180-N184 PolarHBondContact O-N 2.88Å; A181-N184 PolarHBondContact O-N 2.73Å; H182-N184 VanDerWaalsContact C-N 3.34Å; N184-C186 VanDerWaalsContact C-N 3.31Å; N184-C186 PolarHBondContact O-N 3.44Å; N184-Y187 PolarHBondContact O-N 3.01Å; N184-K188 VanDerWaalsContact O-CG 3.27Å; N184-K188 WeakPolarHBondContact O-CG 3.43Å; N184-K188 PolarHBondContact O-N 2.94Å; N184-I215 HydrophobicContact CB-CD1 4.08Å
185T93.6Very high94.4Very high29 Ų2933.6 Ų33.618%0.17818%0.184CC..Hα-helixtrans-60.9-40.7174.8-63.80000111.8F3 L45 A181 H182 V183 H189F3-T185 HydrophobicContact CD2-CG2 4.08Å; F3-T185 HydrophobicContact CE2-CG2 4.01Å; L45-T185 HydrophobicContact CD1-CG2 4.3Å; A181-T185 PolarHBondContact O-N 3.4Å; A181-T185 PolarHBondContact O-OG1 3.43Å; H182-T185 PolarHBondContact O-N 2.71Å; V183-T185 PolarHBondContact O-N 3.29Å; T185-H189 WeakPolarHBondContact O-CB 3.19Å; T185-H189 PolarHBondContact O-N 3.37Å; T185-H189 VanDerWaalsContact O-N 3.1Å
186C95Very high94.7Very high0 Ų033.6 Ų33.60%018%0.179CC..Hα-helixtrans-64.5-42.9176.6-165.90000112.6F6 R71 I75 F163 H182 V183 N184 H189 F190F6-C186 HydrophobicContact CE2-CB 4.18Å; R71-C186 PolarHBondContact NE-SG 3.16Å; I75-C186 HydrophobicContact CD1-CB 3.85Å; F163-C186 HydrophobicContact CE1-CB 4.46Å; F163-C186 HydrophobicContact CZ-CB 4.39Å; H182-C186 WeakPolarHBondContact O-CB 3.39Å; H182-C186 PolarHBondContact O-N 2.84Å; V183-C186 WeakPolarHBondContact O-CB 3.17Å; V183-C186 PolarHBondContact O-N 2.86Å; V183-C186 VanDerWaalsContact O-N 3.15Å; N184-C186 VanDerWaalsContact C-N 3.31Å; N184-C186 PolarHBondContact O-N 3.44Å; C186-H189 PolarHBondContact O-N 3.38Å; C186-F190 WeakPolarHBondContact O-CB 3.42Å; C186-F190 PolarHBondContact O-N 3.47Å
187Y97.4Very high95Very high0 Ų029 Ų290%016%0.157CC..Hα-helixtrans-67.7-42.1178.2177.9-112.7000112.2F160 F163 Y167 V183 N184 H189 F190 Y191 L208 L211 T212 I215F160-Y187 HydrophobicContact CD2-CE2 4.21Å; F160-Y187 AromaticContact CE2-CE2 3.8Å; F160-Y187 HydrophobicContact CE2-CE2 3.8Å; F163-Y187 HydrophobicContact CB-CD2 4.13Å; F163-Y187 HydrophobicContact CB-CE2 4.49Å; F163-Y187 AromaticContact CD1-CD2 3.97Å; F163-Y187 HydrophobicContact CD1-CD2 3.97Å; F163-Y187 HydrophobicContact CD1-CG 4.37Å; F163-Y187 HydrophobicContact CD2-CD2 4.04Å; F163-Y187 HydrophobicContact CE1-CD2 4.35Å; F163-Y187 HydrophobicContact CE2-CD2 4.41Å; F163-Y187 AromaticContact CG-CD2 3.8Å; F163-Y187 HydrophobicContact CG-CD2 3.8Å; Y167-Y187 HydrophobicContact CE2-CD1 4.27Å; Y167-Y187 HydrophobicContact CE2-CD2 4.33Å; Y167-Y187 AromaticContact CE2-CG 3.91Å; Y167-Y187 HydrophobicContact CE2-CG 3.91Å; Y167-Y187 WeakPolarHBondContact OH-CB 3.49Å; V183-Y187 WeakPolarHBondContact O-CB 3.5Å; V183-Y187 PolarHBondContact O-N 2.71Å; N184-Y187 PolarHBondContact O-N 3.01Å; Y187-H189 PolarHBondContact O-N 3.45Å; Y187-F190 WeakPolarHBondContact O-CB 3.48Å; Y187-F190 PolarHBondContact O-N 3.35Å; Y187-Y191 VanDerWaalsContact O-CB 3.3Å; Y187-Y191 WeakPolarHBondContact O-CB 3.48Å; Y187-Y191 PolarHBondContact O-N 2.79Å; Y187-L208 HydrophobicContact CD2-CD1 4.33Å; Y187-L208 HydrophobicContact CE2-CD1 3.69Å; Y187-L208 WeakPolarHBondContact OH-CB 3.49Å; Y187-L211 HydrophobicContact CD1-CD2 4.06Å; Y187-L211 HydrophobicContact CE1-CD2 4.02Å; Y187-L211 HydrophobicContact CE1-CG 4.35Å; Y187-T212 PolarHBondContact OH-OG1 3.25Å; Y187-I215 HydrophobicContact CD1-CD1 3.68Å; Y187-I215 HydrophobicContact CD1-CG1 4.45Å; Y187-I215 HydrophobicContact CE1-CD1 4.33Å
188K96.2Very high95.3Very high61 Ų6132.1 Ų32.127%0.26517%0.174SC..Hα-helixtrans-57.2-49.2173.6-71.3179-160.5-150.10111.4L45 N184 F190 Y191 Y192 I215L45-K188 HydrophobicContact CD1-CB 3.69Å; L45-K188 HydrophobicContact CD1-CD 4.38Å; N184-K188 VanDerWaalsContact O-CG 3.27Å; N184-K188 WeakPolarHBondContact O-CG 3.43Å; N184-K188 PolarHBondContact O-N 2.94Å; K188-F190 VanDerWaalsContact C-N 3.34Å; K188-F190 PolarHBondContact O-N 3.44Å; K188-Y191 PolarHBondContact O-N 2.68Å; K188-Y192 HydrophobicContact CB-CE2 4.27Å; K188-Y192 VanDerWaalsContact O-CD2 3.29Å; K188-Y192 WeakPolarHBondContact O-CD2 3.31Å; K188-Y192 VanDerWaalsContact O-CG 3.28Å; K188-Y192 PolarHBondContact O-N 3.48Å; K188-I215 VanDerWaalsContact CD-O 3.31Å; K188-I215 WeakPolarHBondContact CD-O 3.32Å; K188-I215 WeakPolarHBondContact CE-O 3.44Å; K188-I215 HydrophobicContact CG-CD1 4.02Å; K188-I215 HydrophobicContact CG-CG1 4.01Å; K188-I215 PolarHBondContact NZ-O 3.25Å
189H96Very high95.6Very high0 Ų030.1 Ų30.10%015%0.153CC..Hα-helixtrans-60.3-45.9178.3-175.7-134.7000111.3L45 H64 F68 R71 T185 C186 Y187 Y192 F193L45-H189 HydrophobicContact CD1-CB 4.45Å; L45-H189 HydrophobicContact CD2-CB 4.26Å; H64-H189 AromaticContact CD2-CE1 3.96Å; F68-H189 HydrophobicContact CE1-CB 4.17Å; F68-H189 AromaticContact CE1-CE1 3.99Å; F68-H189 AromaticContact CE1-CG 3.88Å; F68-H189 AromaticContact CE1-ND1 3.29Å; F68-H189 VanDerWaalsContact CE1-ND1 3.29Å; F68-H189 WeakPolarHBondContact CE1-ND1 3.43Å; F68-H189 HydrophobicContact CZ-CB 4.35Å; F68-H189 AromaticContact CZ-CE1 3.47Å; F68-H189 VanDerWaalsContact CZ-CE1 3.47Å; F68-H189 WeakPolarHBondContact CZ-CE1 3.19Å; F68-H189 AromaticContact CZ-CG 3.71Å; F68-H189 AromaticContact CZ-ND1 3.19Å; F68-H189 WeakPolarHBondContact CZ-ND1 3.45Å; R71-H189 PolarHBondContact NH1-ND1 3.2Å; T185-H189 WeakPolarHBondContact O-CB 3.19Å; T185-H189 PolarHBondContact O-N 3.37Å; T185-H189 VanDerWaalsContact O-N 3.1Å; C186-H189 PolarHBondContact O-N 3.38Å; Y187-H189 PolarHBondContact O-N 3.45Å; H189-Y192 PolarHBondContact O-N 3.14Å; H189-F193 VanDerWaalsContact O-CB 3.31Å; H189-F193 WeakPolarHBondContact O-CB 3.17Å; H189-F193 PolarHBondContact O-N 3.45Å
190F97.9Very high95.9Very high0 Ų030.4 Ų30.40%015%0.154CC..Hα-helixtrans-57.7-51175.4-179.3-82.8000111.5F68 I72 F156 L159 F160 F163 C186 Y187 K188 Y192 F193 V194 I200F68-F190 HydrophobicContact CB-CD2 4.25Å; F68-F190 HydrophobicContact CD1-CB 3.99Å; F68-F190 AromaticContact CD1-CD2 3.8Å; F68-F190 HydrophobicContact CD1-CD2 3.8Å; F68-F190 HydrophobicContact CD1-CG 4.4Å; F68-F190 HydrophobicContact CD2-CD2 4.44Å; F68-F190 HydrophobicContact CE1-CB 3.65Å; F68-F190 HydrophobicContact CE1-CD2 4.24Å; F68-F190 HydrophobicContact CE1-CG 4.43Å; F68-F190 VanDerWaalsContact CE1-N 3.35Å; F68-F190 AromaticContact CG-CD2 3.92Å; F68-F190 HydrophobicContact CG-CD2 3.92Å; F68-F190 VanDerWaalsContact CZ-CA 3.45Å; F68-F190 HydrophobicContact CZ-CB 4.21Å; I72-F190 HydrophobicContact CD1-CD2 4.14Å; I72-F190 HydrophobicContact CD1-CE2 3.99Å; F156-F190 HydrophobicContact CB-CZ 4.45Å; F156-F190 HydrophobicContact CD1-CD2 4.27Å; F156-F190 AromaticContact CD1-CE2 3.5Å; F156-F190 HydrophobicContact CD1-CE2 3.5Å; F156-F190 AromaticContact CD1-CZ 3.89Å; F156-F190 HydrophobicContact CD1-CZ 3.89Å; F156-F190 HydrophobicContact CE1-CD2 4.4Å; F156-F190 HydrophobicContact CE1-CE2 4.03Å; L159-F190 HydrophobicContact CB-CE2 4.3Å; F160-F190 HydrophobicContact CB-CE1 3.93Å; F160-F190 HydrophobicContact CB-CZ 3.92Å; F160-F190 AromaticContact CD2-CE1 3.96Å; F160-F190 HydrophobicContact CD2-CE1 3.96Å; F160-F190 HydrophobicContact CG-CE1 4.41Å; F163-F190 HydrophobicContact CD2-CD1 4.36Å; F163-F190 HydrophobicContact CD2-CD2 4.47Å; F163-F190 HydrophobicContact CD2-CG 4.31Å; F163-F190 HydrophobicContact CE2-CB 3.9Å; F163-F190 HydrophobicContact CE2-CD1 4.15Å; F163-F190 AromaticContact CE2-CD2 3.72Å; F163-F190 HydrophobicContact CE2-CD2 3.72Å; F163-F190 HydrophobicContact CE2-CE2 4.2Å; F163-F190 AromaticContact CE2-CG 3.66Å; F163-F190 HydrophobicContact CE2-CG 3.66Å; F163-F190 HydrophobicContact CZ-CB 4.28Å; C186-F190 WeakPolarHBondContact O-CB 3.42Å; C186-F190 PolarHBondContact O-N 3.47Å; Y187-F190 WeakPolarHBondContact O-CB 3.48Å; Y187-F190 PolarHBondContact O-N 3.35Å; K188-F190 VanDerWaalsContact C-N 3.34Å; K188-F190 PolarHBondContact O-N 3.44Å; F190-Y192 PolarHBondContact O-N 3.19Å; F190-F193 PolarHBondContact O-N 3.38Å; F190-V194 HydrophobicContact CD1-CG1 4.14Å; F190-V194 HydrophobicContact CD1-CG2 4.22Å; F190-V194 HydrophobicContact CE1-CG1 3.83Å; F190-V194 HydrophobicContact CE1-CG2 4.09Å; F190-V194 HydrophobicContact CE2-CG1 4.35Å; F190-V194 HydrophobicContact CG-CG1 4.5Å; F190-V194 HydrophobicContact CZ-CG1 3.95Å; F190-V194 WeakPolarHBondContact O-CG1 3.18Å; F190-V194 WeakPolarHBondContact O-CG2 3.35Å; F190-V194 PolarHBondContact O-N 3.07Å; F190-I200 HydrophobicContact CE1-CD1 3.74Å; F190-I200 HydrophobicContact CZ-CD1 3.85Å
191Y98Very high96.1Very high39 Ų3931.5 Ų31.515%0.15316%0.162CC..Hα-helixtrans-59.9-47.9-178.7176.4-100.7000111.8Y187 K188 F193 V194 T195 L205 T212 C216Y187-Y191 VanDerWaalsContact O-CB 3.3Å; Y187-Y191 WeakPolarHBondContact O-CB 3.48Å; Y187-Y191 PolarHBondContact O-N 2.79Å; K188-Y191 PolarHBondContact O-N 2.68Å; Y191-F193 VanDerWaalsContact C-N 3.33Å; Y191-F193 PolarHBondContact O-N 2.94Å; Y191-V194 WeakPolarHBondContact O-CG2 3.46Å; Y191-T195 HydrophobicContact CD2-CG2 4.05Å; Y191-T195 HydrophobicContact CE1-CG2 4.34Å; Y191-T195 HydrophobicContact CE2-CG2 3.67Å; Y191-T195 WeakPolarHBondContact O-CB 3.39Å; Y191-T195 VanDerWaalsContact O-CG2 3.31Å; Y191-T195 WeakPolarHBondContact O-CG2 3.3Å; Y191-T195 PolarHBondContact O-N 2.95Å; Y191-T195 PolarHBondContact O-OG1 3.4Å; Y191-L205 HydrophobicContact CD2-CD1 4.2Å; Y191-L205 HydrophobicContact CE2-CD1 3.89Å; Y191-T212 HydrophobicContact CD1-CG2 3.9Å; Y191-T212 HydrophobicContact CD2-CG2 3.81Å; Y191-T212 HydrophobicContact CE1-CG2 3.53Å; Y191-T212 HydrophobicContact CE2-CG2 3.42Å; Y191-T212 VanDerWaalsContact CE2-CG2 3.42Å; Y191-T212 HydrophobicContact CG-CG2 4.03Å; Y191-C216 HydrophobicContact CD1-CB 4.04Å; Y191-C216 HydrophobicContact CE1-CB 4.16Å
192Y97Very high96.2Very high20 Ų2037.3 Ų37.38%0.07818%0.176CC..Hα-helixtrans-62.5-41.3176.6-63.2-30.9000111.9L45 R46 K188 H189 F190 T195 Y196 C216L45-Y192 HydrophobicContact CB-CD2 3.66Å; L45-Y192 HydrophobicContact CB-CE2 3.84Å; R46-Y192 HydrophobicContact CG-CD1 4.06Å; R46-Y192 HydrophobicContact CG-CD2 3.69Å; R46-Y192 HydrophobicContact CG-CE1 3.96Å; R46-Y192 HydrophobicContact CG-CE2 3.57Å; R46-Y192 HydrophobicContact CG-CG 3.94Å; R46-Y192 PolarHBondContact NE-OH 2.8Å; K188-Y192 HydrophobicContact CB-CE2 4.27Å; K188-Y192 VanDerWaalsContact O-CD2 3.29Å; K188-Y192 WeakPolarHBondContact O-CD2 3.31Å; K188-Y192 VanDerWaalsContact O-CG 3.28Å; K188-Y192 PolarHBondContact O-N 3.48Å; H189-Y192 PolarHBondContact O-N 3.14Å; F190-Y192 PolarHBondContact O-N 3.19Å; Y192-T195 PolarHBondContact O-OG1 3.5Å; Y192-Y196 WeakPolarHBondContact O-CB 3.31Å; Y192-Y196 PolarHBondContact O-N 2.95Å; Y192-C216 HydrophobicContact CE1-CB 3.8Å; Y192-C216 WeakPolarHBondContact OH-CA 3.32Å; Y192-C216 PolarHBondContact OH-O 3.3Å
193F98Very high96.5Very high0 Ų044.6 Ų44.60%021%0.208CC..Hα-helixtrans-64.5-50.9-179.9-170.2-92.6000111.8V49 W60 I61 H64 F68 F156 H189 F190 Y191 T195 Y196 F197 L199V49-F193 HydrophobicContact CB-CB 4.35Å; V49-F193 HydrophobicContact CB-CD2 3.92Å; V49-F193 HydrophobicContact CG1-CB 3.79Å; V49-F193 HydrophobicContact CG1-CD2 4.01Å; V49-F193 HydrophobicContact CG1-CG 4.43Å; W60-F193 AromaticContact NE1-CE2 3.81Å; I61-F193 HydrophobicContact CG1-CZ 4.1Å; H64-F193 HydrophobicContact CB-CD1 4.27Å; H64-F193 HydrophobicContact CB-CD2 4.19Å; H64-F193 HydrophobicContact CB-CE1 3.64Å; H64-F193 HydrophobicContact CB-CE2 3.56Å; H64-F193 HydrophobicContact CB-CZ 3.27Å; H64-F193 AromaticContact CD2-CD2 3.47Å; H64-F193 VanDerWaalsContact CD2-CD2 3.47Å; H64-F193 WeakPolarHBondContact CD2-CD2 3.26Å; H64-F193 AromaticContact CD2-CE2 3.33Å; H64-F193 WeakPolarHBondContact CD2-CE2 3.44Å; H64-F193 AromaticContact CE1-CE2 3.99Å; H64-F193 AromaticContact CG-CD2 3.77Å; H64-F193 AromaticContact CG-CE2 3.15Å; H64-F193 AromaticContact CG-CZ 3.43Å; H64-F193 VanDerWaalsContact CG-CZ 3.43Å; H64-F193 AromaticContact ND1-CE2 3.58Å; H64-F193 AromaticContact ND1-CZ 3.95Å; H64-F193 AromaticContact NE2-CE2 3.88Å; F68-F193 HydrophobicContact CD2-CD1 4.49Å; F68-F193 HydrophobicContact CE2-CB 3.73Å; F68-F193 AromaticContact CE2-CD1 3.82Å; F68-F193 HydrophobicContact CE2-CD1 3.82Å; F68-F193 HydrophobicContact CE2-CD2 4.3Å; F68-F193 AromaticContact CE2-CG 3.68Å; F68-F193 HydrophobicContact CE2-CG 3.68Å; F68-F193 HydrophobicContact CZ-CB 3.87Å; F68-F193 HydrophobicContact CZ-CG 4.28Å; F156-F193 HydrophobicContact CE2-CD1 4.34Å; F156-F193 HydrophobicContact CE2-CE1 4.01Å; F156-F193 AromaticContact CZ-CD1 3.96Å; F156-F193 HydrophobicContact CZ-CD1 3.96Å; F156-F193 AromaticContact CZ-CE1 3.84Å; F156-F193 HydrophobicContact CZ-CE1 3.84Å; H189-F193 VanDerWaalsContact O-CB 3.31Å; H189-F193 WeakPolarHBondContact O-CB 3.17Å; H189-F193 PolarHBondContact O-N 3.45Å; F190-F193 PolarHBondContact O-N 3.38Å; Y191-F193 VanDerWaalsContact C-N 3.33Å; Y191-F193 PolarHBondContact O-N 2.94Å; F193-T195 VanDerWaalsContact C-N 3.31Å; F193-T195 PolarHBondContact O-N 3.14Å; F193-Y196 PolarHBondContact O-N 3.39Å; F193-F197 HydrophobicContact CD1-CD2 4.3Å; F193-F197 HydrophobicContact CD2-CD2 4.02Å; F193-F197 AromaticContact CD2-CE2 3.88Å; F193-F197 HydrophobicContact CD2-CE2 3.88Å; F193-F197 AromaticContact CE1-CD2 3.99Å; F193-F197 HydrophobicContact CE1-CD2 3.99Å; F193-F197 HydrophobicContact CE1-CE2 4.47Å; F193-F197 AromaticContact CE2-CD2 3.69Å; F193-F197 HydrophobicContact CE2-CD2 3.69Å; F193-F197 AromaticContact CE2-CE2 3.37Å; F193-F197 HydrophobicContact CE2-CE2 3.37Å; F193-F197 HydrophobicContact CG-CD2 4.29Å; F193-F197 AromaticContact CZ-CD2 3.64Å; F193-F197 HydrophobicContact CZ-CD2 3.64Å; F193-F197 AromaticContact CZ-CE2 3.7Å; F193-F197 HydrophobicContact CZ-CE2 3.7Å; F193-F197 WeakPolarHBondContact O-CD2 3.31Å; F193-F197 PolarHBondContact O-N 3.09Å; F193-L199 HydrophobicContact CD1-CD1 4.02Å; F193-L199 HydrophobicContact CE1-CD1 3.62Å
194V98.4Very high96.5Very high0 Ų048.9 Ų48.90%023%0.228CC..Hα-helixtrans-70.2-28.2-177.1-58.20000112.7F156 F190 Y191 D198 L199 I200F156-V194 HydrophobicContact CB-CG1 4.08Å; F156-V194 HydrophobicContact CD1-CG1 3.73Å; F156-V194 HydrophobicContact CD2-CG1 4.4Å; F156-V194 HydrophobicContact CE1-CG1 4.24Å; F156-V194 HydrophobicContact CG-CG1 3.83Å; F190-V194 HydrophobicContact CD1-CG1 4.14Å; F190-V194 HydrophobicContact CD1-CG2 4.22Å; F190-V194 HydrophobicContact CE1-CG1 3.83Å; F190-V194 HydrophobicContact CE1-CG2 4.09Å; F190-V194 HydrophobicContact CE2-CG1 4.35Å; F190-V194 HydrophobicContact CG-CG1 4.5Å; F190-V194 HydrophobicContact CZ-CG1 3.95Å; F190-V194 WeakPolarHBondContact O-CG1 3.18Å; F190-V194 WeakPolarHBondContact O-CG2 3.35Å; F190-V194 PolarHBondContact O-N 3.07Å; Y191-V194 WeakPolarHBondContact O-CG2 3.46Å; V194-D198 CarbonylContact O-C 3.59Å; V194-D198 PolarHBondContact O-N 3.02Å; V194-L199 HydrophobicContact CB-CB 4.2Å; V194-L199 HydrophobicContact CG1-CB 4.44Å; V194-L199 PolarHBondContact O-N 2.91Å; V194-I200 HydrophobicContact CB-CB 4.41Å; V194-I200 HydrophobicContact CB-CD1 4.02Å; V194-I200 HydrophobicContact CB-CG1 3.97Å; V194-I200 HydrophobicContact CG1-CD1 3.94Å; V194-I200 HydrophobicContact CG1-CG1 4.19Å; V194-I200 HydrophobicContact CG2-CB 4.41Å; V194-I200 HydrophobicContact CG2-CD1 3.95Å; V194-I200 HydrophobicContact CG2-CG1 4.25Å
195T97.3Very high96.6Very high56 Ų5648.4 Ų48.434%0.34423%0.225SC..Hα-helixtrans-81.8-36.117654.10000112.5Y191 Y192 F193 F197 D198 L205Y191-T195 HydrophobicContact CD2-CG2 4.05Å; Y191-T195 HydrophobicContact CE1-CG2 4.34Å; Y191-T195 HydrophobicContact CE2-CG2 3.67Å; Y191-T195 WeakPolarHBondContact O-CB 3.39Å; Y191-T195 VanDerWaalsContact O-CG2 3.31Å; Y191-T195 WeakPolarHBondContact O-CG2 3.3Å; Y191-T195 PolarHBondContact O-N 2.95Å; Y191-T195 PolarHBondContact O-OG1 3.4Å; Y192-T195 PolarHBondContact O-OG1 3.5Å; F193-T195 VanDerWaalsContact C-N 3.31Å; F193-T195 PolarHBondContact O-N 3.14Å; T195-F197 VanDerWaalsContact C-N 3.35Å; T195-F197 PolarHBondContact O-N 2.79Å; T195-D198 PolarHBondContact O-N 3.36Å; T195-L205 HydrophobicContact CG2-CD1 3.8Å
196Y97.1Very high96.7Very high122 Ų12251.5 Ų51.548%0.47824%0.237SC..Hα-helixtrans-62.9-41.2177-177.2-95.1000111.9V49 K50 Y192 F193V49-Y196 HydrophobicContact CG2-CG 4.27Å; K50-Y196 HydrophobicContact CD-CE2 4.49Å; K50-Y196 HydrophobicContact CG-CE1 4.34Å; K50-Y196 HydrophobicContact CG-CE2 3.96Å; Y192-Y196 WeakPolarHBondContact O-CB 3.31Å; Y192-Y196 PolarHBondContact O-N 2.95Å; F193-Y196 PolarHBondContact O-N 3.39Å
197F97.9Very high96.8Very high38 Ų3852.6 Ų52.617%0.16725%0.245CC..THydrogen-bonded Turntrans-97.410.3179.6-67.1-66.3000114.5V49 K51 L57 W60 F193 T195 L199V49-F197 VanDerWaalsContact O-CE2 3.31Å; V49-F197 WeakPolarHBondContact O-CE2 3.42Å; K51-F197 HydrophobicContact CB-CZ 4.46Å; L57-F197 HydrophobicContact CD1-CD1 3.77Å; L57-F197 HydrophobicContact CD1-CE1 3.34Å; L57-F197 HydrophobicContact CD1-CZ 4.14Å; W60-F197 AromaticContact CD1-CE2 3.86Å; W60-F197 AromaticContact CD1-CZ 3.62Å; W60-F197 AromaticContact NE1-CE2 3.87Å; W60-F197 AromaticContact NE1-CZ 3.83Å; F193-F197 HydrophobicContact CD1-CD2 4.3Å; F193-F197 HydrophobicContact CD2-CD2 4.02Å; F193-F197 AromaticContact CD2-CE2 3.88Å; F193-F197 HydrophobicContact CD2-CE2 3.88Å; F193-F197 AromaticContact CE1-CD2 3.99Å; F193-F197 HydrophobicContact CE1-CD2 3.99Å; F193-F197 HydrophobicContact CE1-CE2 4.47Å; F193-F197 AromaticContact CE2-CD2 3.69Å; F193-F197 HydrophobicContact CE2-CD2 3.69Å; F193-F197 AromaticContact CE2-CE2 3.37Å; F193-F197 HydrophobicContact CE2-CE2 3.37Å; F193-F197 HydrophobicContact CG-CD2 4.29Å; F193-F197 AromaticContact CZ-CD2 3.64Å; F193-F197 HydrophobicContact CZ-CD2 3.64Å; F193-F197 AromaticContact CZ-CE2 3.7Å; F193-F197 HydrophobicContact CZ-CE2 3.7Å; F193-F197 WeakPolarHBondContact O-CD2 3.31Å; F193-F197 PolarHBondContact O-N 3.09Å; T195-F197 VanDerWaalsContact C-N 3.35Å; T195-F197 PolarHBondContact O-N 2.79Å; F197-L199 VanDerWaalsContact C-N 3.28Å; F197-L199 HydrophobicContact CB-CD1 3.84Å; F197-L199 HydrophobicContact CB-CD2 4.18Å; F197-L199 HydrophobicContact CB-CG 3.67Å; F197-L199 PolarHBondContact O-N 2.9Å
198D97.7Very high96.7Very high101 Ų10152.9 Ų52.954%0.5425%0.246SC..THydrogen-bonded Turntrans51.442.9-178.1-174.457.8000113.5K153 V194 T195K153-D198 WeakPolarHBondContact CE-O 3.29Å; K153-D198 PolarHBondContact NZ-O 3.15Å; K153-D198 IonicContact NZ-OD2 2.65Å; K153-D198 PolarHBondContact NZ-OD2 3.42Å; V194-D198 CarbonylContact O-C 3.59Å; V194-D198 PolarHBondContact O-N 3.02Å; T195-D198 PolarHBondContact O-N 3.36Å
199L98.4Very high96.6Very high3 Ų353.3 Ų53.32%0.01625%0.252CS..  trans-88.4-12.7-174.4-59176.9000113.9I61 V152 K153 F156 F193 V194 F197I61-L199 HydrophobicContact CG2-CD1 4.48Å; V152-L199 HydrophobicContact CG1-CD1 4.1Å; V152-L199 HydrophobicContact CG1-CD2 4.03Å; K153-L199 VanDerWaalsContact CA-O 3.3Å; K153-L199 WeakPolarHBondContact CA-O 3.32Å; K153-L199 WeakPolarHBondContact CB-O 3.48Å; K153-L199 HydrophobicContact CG-CD2 4.34Å; K153-L199 WeakPolarHBondContact CG-O 3.47Å; F156-L199 HydrophobicContact CD2-CB 4.05Å; F156-L199 HydrophobicContact CD2-CD1 3.7Å; F156-L199 HydrophobicContact CD2-CG 4.46Å; F156-L199 HydrophobicContact CE2-CD1 3.55Å; F193-L199 HydrophobicContact CD1-CD1 4.02Å; F193-L199 HydrophobicContact CE1-CD1 3.62Å; V194-L199 HydrophobicContact CB-CB 4.2Å; V194-L199 HydrophobicContact CG1-CB 4.44Å; V194-L199 PolarHBondContact O-N 2.91Å; F197-L199 VanDerWaalsContact C-N 3.28Å; F197-L199 HydrophobicContact CB-CD1 3.84Å; F197-L199 HydrophobicContact CB-CD2 4.18Å; F197-L199 HydrophobicContact CB-CG 3.67Å; F197-L199 PolarHBondContact O-N 2.9Å
200I98.1Very high96.6Very high6 Ų659.2 Ų59.23%0.03128%0.283CS..SBendtrans-137.8134.5175.1-59.7-178.6000108.6F156 F160 F190 V194 E204 L205F156-I200 HydrophobicContact CB-CD1 3.94Å; F156-I200 HydrophobicContact CB-CG1 3.87Å; F160-I200 HydrophobicContact CB-CD1 3.95Å; F160-I200 HydrophobicContact CG-CD1 4.5Å; F190-I200 HydrophobicContact CE1-CD1 3.74Å; F190-I200 HydrophobicContact CZ-CD1 3.85Å; V194-I200 HydrophobicContact CB-CB 4.41Å; V194-I200 HydrophobicContact CB-CD1 4.02Å; V194-I200 HydrophobicContact CB-CG1 3.97Å; V194-I200 HydrophobicContact CG1-CD1 3.94Å; V194-I200 HydrophobicContact CG1-CG1 4.19Å; V194-I200 HydrophobicContact CG2-CB 4.41Å; V194-I200 HydrophobicContact CG2-CD1 3.95Å; V194-I200 HydrophobicContact CG2-CG1 4.25Å; I200-E204 HydrophobicContact CG2-CB 3.64Å; I200-L205 HydrophobicContact CB-CD2 4.26Å; I200-L205 HydrophobicContact CB-CG 4.4Å; I200-L205 HydrophobicContact CD1-CD2 4.13Å; I200-L205 HydrophobicContact CG2-CD1 4.49Å; I200-L205 HydrophobicContact CG2-CD2 3.77Å; I200-L205 HydrophobicContact CG2-CG 3.81Å
201D94.8Very high96.4Very high85 Ų8560.1 Ų60.146%0.45529%0.288SS..  trans-63.3138.8174.1-171.8-54.6000110.3K203 E204 L205D201-K203 PolarHBondContact O-N 3.13Å; D201-K203 VanDerWaalsContact O-N 3.08Å; D201-K203 WeakPolarHBondContact OD1-CB 3.26Å; D201-K203 WeakPolarHBondContact OD1-CG 3.22Å; D201-K203 PolarHBondContact OD1-N 3.12Å; D201-E204 HydrophobicContact CB-CG 4.35Å; D201-E204 WeakPolarHBondContact O-CB 3.49Å; D201-E204 PolarHBondContact O-N 3.14Å; D201-L205 PolarHBondContact O-N 2.9Å
202K93.5Very high96.3Very high181 Ų18158.3 Ų58.379%0.78728%0.281SS*.THydrogen-bonded Turntrans-52.8-33178.5-65.6-177.1-179.11790113.1E204 L205K202-E204 VanDerWaalsContact C-N 3.32Å; K202-L205 PolarHBondContact O-N 3.18Å
203K94.1Very high96.3Very high174 Ų17461.8 Ų61.876%0.75730%0.298SS*.THydrogen-bonded Turntrans-66.5-33.6176.5-66177.7-178.1174.80112.6D201 L205 E206D201-K203 PolarHBondContact O-N 3.13Å; D201-K203 VanDerWaalsContact O-N 3.08Å; D201-K203 WeakPolarHBondContact OD1-CB 3.26Å; D201-K203 WeakPolarHBondContact OD1-CG 3.22Å; D201-K203 PolarHBondContact OD1-N 3.12Å; K203-L205 PolarHBondContact O-N 2.98Å; K203-E206 WeakPolarHBondContact O-CB 3.37Å; K203-E206 PolarHBondContact O-N 3.15Å
204E95.1Very high96.1Very high91 Ų9170.5 Ų70.543%0.42533%0.331SS..THydrogen-bonded Turntrans-71.3-23.5176.7-67.8-172.5-101.300111.9F160 I200 D201 K202 P207F160-E204 WeakPolarHBondContact CE1-O 3.36Å; I200-E204 HydrophobicContact CG2-CB 3.64Å; D201-E204 HydrophobicContact CB-CG 4.35Å; D201-E204 WeakPolarHBondContact O-CB 3.49Å; D201-E204 PolarHBondContact O-N 3.14Å; K202-E204 VanDerWaalsContact C-N 3.32Å; E204-P207 VanDerWaalsContact O-CD 3.32Å; E204-P207 WeakPolarHBondContact O-CD 3.49Å
205L96.8Very high95.8Very high11 Ų1171.7 Ų71.76%0.05834%0.337CS..THydrogen-bonded Turntrans-82.9-9.7177.8-62.1174.3000113.9F160 Y191 T195 I200 D201 K202 K203 P207 L208F160-L205 HydrophobicContact CD1-CD2 4.44Å; F160-L205 HydrophobicContact CD2-CD2 3.78Å; F160-L205 HydrophobicContact CE1-CD2 4.36Å; F160-L205 HydrophobicContact CE2-CD2 3.64Å; F160-L205 HydrophobicContact CG-CD2 4.18Å; F160-L205 HydrophobicContact CZ-CB 4.48Å; F160-L205 HydrophobicContact CZ-CD2 3.97Å; Y191-L205 HydrophobicContact CD2-CD1 4.2Å; Y191-L205 HydrophobicContact CE2-CD1 3.89Å; T195-L205 HydrophobicContact CG2-CD1 3.8Å; I200-L205 HydrophobicContact CB-CD2 4.26Å; I200-L205 HydrophobicContact CB-CG 4.4Å; I200-L205 HydrophobicContact CD1-CD2 4.13Å; I200-L205 HydrophobicContact CG2-CD1 4.49Å; I200-L205 HydrophobicContact CG2-CD2 3.77Å; I200-L205 HydrophobicContact CG2-CG 3.81Å; D201-L205 PolarHBondContact O-N 2.9Å; K202-L205 PolarHBondContact O-N 3.18Å; K203-L205 PolarHBondContact O-N 2.98Å; L205-P207 VanDerWaalsContact C-N 3.34Å; L205-L208 PolarHBondContact O-N 3.3Å
206E95.7Very high95.3Very high93 Ų9369.3 Ų69.344%0.43532%0.322SS..G310 helixtrans-50.9-40.2-177.3-165-83.6-17500114.7F97 K203 L208 N209F97-E206 WeakPolarHBondContact CE2-OE2 3.39Å; F97-E206 WeakPolarHBondContact CZ-OE2 3.43Å; K203-E206 WeakPolarHBondContact O-CB 3.37Å; K203-E206 PolarHBondContact O-N 3.15Å; E206-L208 PolarHBondContact O-N 3.19Å; E206-N209 VanDerWaalsContact O-CB 3.24Å; E206-N209 WeakPolarHBondContact O-CB 3.42Å; E206-N209 PolarHBondContact O-N 2.92Å
207P96.4Very high94.5Very high23 Ų2370.4 Ų70.415%0.14933%0.331CS..G310 helixtrans-59.9-20.6-174.2-27.235.4000115F97 F160 V164 E204 L205F97-P207 HydrophobicContact CB-CG 4.46Å; F97-P207 HydrophobicContact CD1-CG 3.77Å; F97-P207 HydrophobicContact CD2-CB 3.73Å; F97-P207 HydrophobicContact CD2-CG 3.73Å; F97-P207 HydrophobicContact CE1-CG 3.96Å; F97-P207 HydrophobicContact CE2-CB 4Å; F97-P207 HydrophobicContact CE2-CG 3.92Å; F97-P207 HydrophobicContact CG-CB 4.11Å; F97-P207 HydrophobicContact CG-CG 3.68Å; F97-P207 HydrophobicContact CZ-CG 4.08Å; F160-P207 HydrophobicContact CE1-CG 4.46Å; V164-P207 HydrophobicContact CG1-CB 3.78Å; V164-P207 HydrophobicContact CG2-CB 3.98Å; E204-P207 VanDerWaalsContact O-CD 3.32Å; E204-P207 WeakPolarHBondContact O-CD 3.49Å; L205-P207 VanDerWaalsContact C-N 3.34Å
208L96.2Very high94.3Very high7 Ų772 Ų724%0.03734%0.34CS..G310 helixtrans-114.111.8176.4-67.9-179.6000113.3F160 F163 V164 Y167 Y187 L205 E206 D210 L211 T212F160-L208 HydrophobicContact CE2-CB 4.38Å; F160-L208 HydrophobicContact CE2-CD1 3.83Å; F160-L208 HydrophobicContact CE2-CG 4.36Å; F160-L208 HydrophobicContact CZ-CB 4.12Å; F160-L208 HydrophobicContact CZ-CD1 4.04Å; F160-L208 HydrophobicContact CZ-CG 4.1Å; F163-L208 HydrophobicContact CB-CD1 3.98Å; V164-L208 HydrophobicContact CG2-CD1 4.06Å; V164-L208 HydrophobicContact CG2-CG 3.99Å; Y167-L208 HydrophobicContact CD2-CD1 3.88Å; Y167-L208 HydrophobicContact CD2-CD2 4.26Å; Y167-L208 HydrophobicContact CE2-CD1 4.48Å; Y167-L208 HydrophobicContact CG-CD2 4.36Å; Y187-L208 HydrophobicContact CD2-CD1 4.33Å; Y187-L208 HydrophobicContact CE2-CD1 3.69Å; Y187-L208 WeakPolarHBondContact OH-CB 3.49Å; L205-L208 PolarHBondContact O-N 3.3Å; E206-L208 PolarHBondContact O-N 3.19Å; L208-D210 VanDerWaalsContact C-N 3.31Å; L208-D210 PolarHBondContact O-N 3.23Å; L208-L211 HydrophobicContact CB-CB 4.5Å; L208-L211 HydrophobicContact CD1-CD2 4.49Å; L208-L211 HydrophobicContact CD2-CD2 4.19Å; L208-L211 CarbonylContact O-C 3.23Å; L208-L211 WeakPolarHBondContact O-CA 3.34Å; L208-L211 WeakPolarHBondContact O-CB 3.29Å; L208-L211 PolarHBondContact O-N 3.43Å; L208-T212 PolarHBondContact O-N 3.47Å; L208-T212 PolarHBondContact O-OG1 2.93Å
209N95.2Very high94.1Very high70 Ų7070.5 Ų70.537%0.37433%0.329SS..Hα-helixtrans-52.1-46.2-174.1-179.157.4000112.9E206 L211 T212 Q213E206-N209 VanDerWaalsContact O-CB 3.24Å; E206-N209 WeakPolarHBondContact O-CB 3.42Å; E206-N209 PolarHBondContact O-N 2.92Å; N209-L211 VanDerWaalsContact C-N 3.3Å; N209-L211 PolarHBondContact O-N 2.92Å; N209-T212 WeakPolarHBondContact O-CB 3.34Å; N209-T212 PolarHBondContact O-N 3.23Å; N209-T212 VanDerWaalsContact O-N 3.14Å; N209-Q213 WeakPolarHBondContact O-CG 3.48Å; N209-Q213 PolarHBondContact O-N 3.03Å
210D94.1Very high93.9Very high123 Ų12374.2 Ų74.266%0.65835%0.346SS*.Hα-helixtrans-65.2-32.3179.1-65.3-14000113L208 R214L208-D210 VanDerWaalsContact C-N 3.31Å; L208-D210 PolarHBondContact O-N 3.23Å; D210-R214 WeakPolarHBondContact O-CG 3.32Å; D210-R214 PolarHBondContact O-N 3.07Å; D210-R214 PolarHBondContact O-NE 3.44Å
211L94.8Very high93.6Very high19 Ų1978.2 Ų78.210%0.09937%0.365CS..Hα-helixtrans-70-47.1171.7176.369.9000109.9Y167 Y187 L208 N209 Q213 R214 I215Y167-L211 HydrophobicContact CD1-CD2 3.66Å; Y167-L211 HydrophobicContact CD2-CD2 3.6Å; Y167-L211 HydrophobicContact CE1-CD1 4.46Å; Y167-L211 HydrophobicContact CE1-CD2 3.61Å; Y167-L211 HydrophobicContact CE2-CD2 3.55Å; Y167-L211 HydrophobicContact CG-CD2 3.67Å; Y187-L211 HydrophobicContact CD1-CD2 4.06Å; Y187-L211 HydrophobicContact CE1-CD2 4.02Å; Y187-L211 HydrophobicContact CE1-CG 4.35Å; L208-L211 HydrophobicContact CB-CB 4.5Å; L208-L211 HydrophobicContact CD1-CD2 4.49Å; L208-L211 HydrophobicContact CD2-CD2 4.19Å; L208-L211 CarbonylContact O-C 3.23Å; L208-L211 WeakPolarHBondContact O-CA 3.34Å; L208-L211 WeakPolarHBondContact O-CB 3.29Å; L208-L211 PolarHBondContact O-N 3.43Å; N209-L211 VanDerWaalsContact C-N 3.3Å; N209-L211 PolarHBondContact O-N 2.92Å; L211-Q213 VanDerWaalsContact C-N 3.32Å; L211-Q213 PolarHBondContact O-N 2.96Å; L211-R214 PolarHBondContact O-N 3.32Å; L211-I215 HydrophobicContact CD1-CD1 4.18Å; L211-I215 HydrophobicContact CD1-CG2 3.93Å; L211-I215 HydrophobicContact CG-CD1 4.11Å; L211-I215 HydrophobicContact CG-CG1 4.45Å; L211-I215 WeakPolarHBondContact O-CG1 3.25Å; L211-I215 PolarHBondContact O-N 3.44Å
212T96.3Very high93.6Very high2 Ų277.8 Ų77.81%0.01236%0.359CS..Hα-helixtrans-55.2-46.9177.8-48.90000111.4Y187 Y191 L208 N209 R214 I215 C216Y187-T212 PolarHBondContact OH-OG1 3.25Å; Y191-T212 HydrophobicContact CD1-CG2 3.9Å; Y191-T212 HydrophobicContact CD2-CG2 3.81Å; Y191-T212 HydrophobicContact CE1-CG2 3.53Å; Y191-T212 HydrophobicContact CE2-CG2 3.42Å; Y191-T212 VanDerWaalsContact CE2-CG2 3.42Å; Y191-T212 HydrophobicContact CG-CG2 4.03Å; L208-T212 PolarHBondContact O-N 3.47Å; L208-T212 PolarHBondContact O-OG1 2.93Å; N209-T212 WeakPolarHBondContact O-CB 3.34Å; N209-T212 PolarHBondContact O-N 3.23Å; N209-T212 VanDerWaalsContact O-N 3.14Å; T212-R214 PolarHBondContact O-N 2.65Å; T212-I215 PolarHBondContact O-N 2.91Å; T212-C216 HydrophobicContact CG2-CB 4.05Å; T212-C216 WeakPolarHBondContact O-CA 3.39Å; T212-C216 VanDerWaalsContact O-CB 3.22Å; T212-C216 WeakPolarHBondContact O-CB 3.35Å; T212-C216 PolarHBondContact O-N 2.68Å
213Q95.4Very high93.6Very high93 Ų9370.9 Ų70.944%0.43533%0.331SS..Hα-helixtrans-60.9-32.3177.8-67.5-50.8-4500112.8N209 L211N209-Q213 WeakPolarHBondContact O-CG 3.48Å; N209-Q213 PolarHBondContact O-N 3.03Å; L211-Q213 VanDerWaalsContact C-N 3.32Å; L211-Q213 PolarHBondContact O-N 2.96Å
214R93.9Very high93.5Very high182 Ų18263.6 Ų63.669%0.68730%0.301SS*.Hα-helixtrans-82-28.9-179.3-73.8-177.8-68.2159.5-1114.2D210 L211 T212D210-R214 WeakPolarHBondContact O-CG 3.32Å; D210-R214 PolarHBondContact O-N 3.07Å; D210-R214 PolarHBondContact O-NE 3.44Å; L211-R214 PolarHBondContact O-N 3.32Å; T212-R214 PolarHBondContact O-N 2.65Å
215I92.2Very high93.4Very high26 Ų2661.5 Ų61.513%0.13329%0.291CS..Hα-helixtrans-116.3-20.8-168.981.6169.6000113.4N184 Y187 K188 L211 T212N184-I215 HydrophobicContact CB-CD1 4.08Å; Y187-I215 HydrophobicContact CD1-CD1 3.68Å; Y187-I215 HydrophobicContact CD1-CG1 4.45Å; Y187-I215 HydrophobicContact CE1-CD1 4.33Å; K188-I215 VanDerWaalsContact CD-O 3.31Å; K188-I215 WeakPolarHBondContact CD-O 3.32Å; K188-I215 WeakPolarHBondContact CE-O 3.44Å; K188-I215 HydrophobicContact CG-CD1 4.02Å; K188-I215 HydrophobicContact CG-CG1 4.01Å; K188-I215 PolarHBondContact NZ-O 3.25Å; L211-I215 HydrophobicContact CD1-CD1 4.18Å; L211-I215 HydrophobicContact CD1-CG2 3.93Å; L211-I215 HydrophobicContact CG-CD1 4.11Å; L211-I215 HydrophobicContact CG-CG1 4.45Å; L211-I215 WeakPolarHBondContact O-CG1 3.25Å; L211-I215 PolarHBondContact O-N 3.44Å; T212-I215 PolarHBondContact O-N 2.91Å
216C88Confident93.1Very high5 Ų565.7 Ų65.73%0.03431%0.31CS..  trans-102.9-9.5178.9-61.30000113.1R46 Y191 Y192 T212R46-C216 PolarHBondContact NH2-O 2.69Å; Y191-C216 HydrophobicContact CD1-CB 4.04Å; Y191-C216 HydrophobicContact CE1-CB 4.16Å; Y192-C216 HydrophobicContact CE1-CB 3.8Å; Y192-C216 WeakPolarHBondContact OH-CA 3.32Å; Y192-C216 PolarHBondContact OH-O 3.3Å; T212-C216 HydrophobicContact CG2-CB 4.05Å; T212-C216 WeakPolarHBondContact O-CA 3.39Å; T212-C216 VanDerWaalsContact O-CB 3.22Å; T212-C216 WeakPolarHBondContact O-CB 3.35Å; T212-C216 PolarHBondContact O-N 2.68Å
217H79.4Confident92.9Very high145 Ų14563.2 Ų63.267%0.67130%0.299SS*.  trans-128.10-179.6-61.4-79.1000109.2

Retrieved 217 of 217 residues in 659.7 ms (Link to these results)

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