A0A077Z297_TRITR Loading...

Geranylgeranyl transferase type-2 subunit alpha

Catalyzes the transfer of a geranyl-geranyl moiety from geranyl-geranyl pyrophosphate to cysteines occuring in specific C-terminal amino acid sequences.

AlphaFold DB , UniProt , Accession A0A077Z297, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 590 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
1M32.7Very low46Very low235 Ų235163.5 Ų163.5100%1.15880%0.802SS**  089.90-72.3-170.5-156.100107
2H36.4Very low47.9Very low176 Ų176161.3 Ų161.382%0.81580%0.796SS**  trans-103125.3-176.4-70.7-65.1000111.6R4H2-R4 PolarHBondContact O-N 2.93Å
3G38.2Very low49.4Very low81 Ų81157.5 Ų157.584%0.83578%0.775SS**SBendtrans97.9-27.8134.300000120.1K5G3-K5 PolarHBondContact O-N 2.8Å; G3-K5 VanDerWaalsContact O-N 3.17Å
4R36.7Very low51.5Low238 Ų238149.6 Ų149.690%0.89874%0.741SS**  trans-81.1105.2176.1-87-172.6179.6172.91.5110.7H2 R6H2-R4 PolarHBondContact O-N 2.93Å; R4-R6 PolarHBondContact O-N 2.85Å
5K37.5Very low53.4Low195 Ų195145.3 Ų145.385%0.84872%0.721SS**  trans-48110.3160.3-81.5-177.2176.6177.50107.8G3 N7G3-K5 PolarHBondContact O-N 2.8Å; G3-K5 VanDerWaalsContact O-N 3.17Å; K5-N7 PolarHBondContact O-N 2.98Å; K5-N7 VanDerWaalsContact O-N 3.09Å
6R41.8Very low55.1Low240 Ų240138.4 Ų138.491%0.90669%0.694SS**  trans-73.198.7168.1-81-177174.9173.8-1.8106.6R4 V8R4-R6 PolarHBondContact O-N 2.85Å; R6-V8 PolarHBondContact O-N 3.21Å
7N50.3Low56.5Low132 Ų132134.6 Ų134.671%0.70667%0.674SS**  trans-62126.9166.7-74.4-15.7000108K5 I9K5-N7 PolarHBondContact O-N 2.98Å; K5-N7 VanDerWaalsContact O-N 3.09Å; N7-I9 PolarHBondContact O-N 2.97Å
8V46.8Very low57.9Low149 Ų149133.6 Ų133.690%0.90366%0.664SS**  trans-76.799.7171.4-178.40000106.5R6R6-V8 PolarHBondContact O-N 3.21Å
9I56.9Low59.3Low89 Ų89133.4 Ų133.446%0.45666%0.661SS.*  trans-79.9142.5-179.6-60.8174.1000109N7 E13 T14N7-I9 PolarHBondContact O-N 2.97Å; I9-E13 HydrophobicContact CG2-CB 3.37Å; I9-E13 HydrophobicContact CG2-CG 4.47Å; I9-E13 WeakPolarHBondContact CG2-OE2 3.5Å; I9-T14 HydrophobicContact CB-CG2 4.03Å; I9-T14 HydrophobicContact CG2-CG2 3.83Å
10R58.5Low60.3Low196 Ų196134 Ų13474%0.7466%0.656SS**  trans-68.7152.7177.9-73178.8171.6177.1-1.9111.5D12 E13 T14R10-D12 PolarHBondContact O-N 3.41Å; R10-E13 HydrophobicContact CB-CG 4.49Å; R10-E13 PolarHBondContact N-OE2 3.08Å; R10-E13 WeakPolarHBondContact O-CB 3.43Å; R10-E13 PolarHBondContact O-N 2.8Å; R10-E13 VanDerWaalsContact O-N 3.1Å; R10-T14 PolarHBondContact O-N 3.31Å
11A70.1Confident61.3Low67 Ų67133.2 Ų133.255%0.55465%0.651SS**Hα-helixtrans-53.8-45.4-175.200000113.7E13 T14 D15A11-E13 VanDerWaalsContact C-N 3.34Å; A11-E13 PolarHBondContact O-N 2.96Å; A11-T14 WeakPolarHBondContact CA-OG1 3.37Å; A11-T14 WeakPolarHBondContact O-CB 3.36Å; A11-T14 PolarHBondContact O-N 3.03Å; A11-T14 PolarHBondContact O-OG1 3.09Å; A11-D15 PolarHBondContact O-N 3.13Å; A11-D15 VanDerWaalsContact O-N 3.14Å
12D69.2Low63.8Low138 Ų138126.5 Ų126.574%0.73862%0.616SS**Hα-helixtrans-67.6-35-179.7-53.4-17.7000112.5R10 T14 D15 A16R10-D12 PolarHBondContact O-N 3.41Å; D12-T14 VanDerWaalsContact C-N 3.3Å; D12-D15 PolarHBondContact O-N 3.4Å; D12-A16 PolarHBondContact O-N 3.36Å
13E67.1Low66Low112 Ų112124 Ų12452%0.52361%0.605SS.*Hα-helixtrans-68.4-31.6172.8-69.7174.4165.900111.1I9 R10 A11 E17I9-E13 HydrophobicContact CG2-CB 3.37Å; I9-E13 HydrophobicContact CG2-CG 4.47Å; I9-E13 WeakPolarHBondContact CG2-OE2 3.5Å; R10-E13 HydrophobicContact CB-CG 4.49Å; R10-E13 PolarHBondContact N-OE2 3.08Å; R10-E13 WeakPolarHBondContact O-CB 3.43Å; R10-E13 PolarHBondContact O-N 2.8Å; R10-E13 VanDerWaalsContact O-N 3.1Å; A11-E13 VanDerWaalsContact C-N 3.34Å; A11-E13 PolarHBondContact O-N 2.96Å; E13-E17 VanDerWaalsContact O-CB 3.26Å; E13-E17 WeakPolarHBondContact O-CB 2.97Å; E13-E17 PolarHBondContact O-N 3.13Å
14T78.4Confident67.9Low47 Ų47126.7 Ų126.729%0.28859%0.594SS.*Hα-helixtrans-69.1-36.2175.5610000112.9I9 R10 A11 D12 K18I9-T14 HydrophobicContact CB-CG2 4.03Å; I9-T14 HydrophobicContact CG2-CG2 3.83Å; R10-T14 PolarHBondContact O-N 3.31Å; A11-T14 WeakPolarHBondContact CA-OG1 3.37Å; A11-T14 WeakPolarHBondContact O-CB 3.36Å; A11-T14 PolarHBondContact O-N 3.03Å; A11-T14 PolarHBondContact O-OG1 3.09Å; D12-T14 VanDerWaalsContact C-N 3.3Å; T14-K18 WeakPolarHBondContact O-CB 3.48Å; T14-K18 WeakPolarHBondContact O-CG 3.16Å; T14-K18 PolarHBondContact O-N 3.4Å
15D80.1Confident70.1Confident84 Ų84118 Ų11845%0.44957%0.567SS.*Hα-helixtrans-75.1-41.7179.1-71.3-18.9000111.6A11 D12 E17 K18 E19A11-D15 PolarHBondContact O-N 3.13Å; A11-D15 VanDerWaalsContact O-N 3.14Å; D12-D15 PolarHBondContact O-N 3.4Å; D15-E17 VanDerWaalsContact C-N 3.31Å; D15-E17 PolarHBondContact O-N 3.06Å; D15-K18 PolarHBondContact O-N 2.93Å; D15-K18 IonicContact OD1-NZ 3.79Å; D15-K18 PolarHBondContact OD1-NZ 3.08Å; D15-E19 PolarHBondContact O-N 2.82Å
16A80.5Confident72.2Confident35 Ų35112.1 Ų112.129%0.28955%0.545SS..Hα-helixtrans-62-37172.600000112.5D12 R20D12-A16 PolarHBondContact O-N 3.36Å; A16-R20 VanDerWaalsContact O-CG 3.28Å; A16-R20 WeakPolarHBondContact O-CG 2.97Å; A16-R20 PolarHBondContact O-N 3.08Å; A16-R20 VanDerWaalsContact O-N 3.11Å
17E79.3Confident74Confident74 Ų74106.6 Ų106.635%0.34653%0.533SS..Hα-helixtrans-70.5-40.4174.7-174.758.7-160.300111.7E13 D15 E19 R20 Q21E13-E17 VanDerWaalsContact O-CB 3.26Å; E13-E17 WeakPolarHBondContact O-CB 2.97Å; E13-E17 PolarHBondContact O-N 3.13Å; D15-E17 VanDerWaalsContact C-N 3.31Å; D15-E17 PolarHBondContact O-N 3.06Å; E17-E19 PolarHBondContact O-N 2.98Å; E17-R20 PolarHBondContact O-N 2.78Å; E17-Q21 WeakPolarHBondContact O-CB 3.25Å; E17-Q21 PolarHBondContact O-N 2.98Å
18K82.4Confident75.4Confident117 Ų117103 Ų10351%0.50951%0.51SS..Hα-helixtrans-59-45.3173.1-77.5172.3-158.6154.60111.6T14 D15 Q21 Q22T14-K18 WeakPolarHBondContact O-CB 3.48Å; T14-K18 WeakPolarHBondContact O-CG 3.16Å; T14-K18 PolarHBondContact O-N 3.4Å; D15-K18 PolarHBondContact O-N 2.93Å; D15-K18 IonicContact OD1-NZ 3.79Å; D15-K18 PolarHBondContact OD1-NZ 3.08Å; K18-Q21 WeakPolarHBondContact O-CB 3.48Å; K18-Q21 PolarHBondContact O-N 3.07Å; K18-Q22 WeakPolarHBondContact O-CB 3.18Å; K18-Q22 PolarHBondContact O-N 3.12Å
19E83.2Confident77.1Confident130 Ų130101.6 Ų101.661%0.60749%0.488SS*.Hα-helixtrans-61.8-44.5177.1-76.6-174.3173.800111.7D15 E17 Q21 Q22 Q23D15-E19 PolarHBondContact O-N 2.82Å; E17-E19 PolarHBondContact O-N 2.98Å; E19-Q21 VanDerWaalsContact C-N 3.31Å; E19-Q21 PolarHBondContact O-N 3.07Å; E19-Q22 PolarHBondContact O-N 2.97Å; E19-Q23 WeakPolarHBondContact O-CG 3.22Å; E19-Q23 PolarHBondContact O-N 3Å
20R80.3Confident78.4Confident145 Ų145104.5 Ų104.555%0.54750%0.498SS..Hα-helixtrans-61.7-39.4174-71.6176.6-142-1713.8112A16 E17 K24A16-R20 VanDerWaalsContact O-CG 3.28Å; A16-R20 WeakPolarHBondContact O-CG 2.97Å; A16-R20 PolarHBondContact O-N 3.08Å; A16-R20 VanDerWaalsContact O-N 3.11Å; E17-R20 PolarHBondContact O-N 2.78Å; R20-K24 VanDerWaalsContact O-CG 3.3Å; R20-K24 WeakPolarHBondContact O-CG 3.17Å; R20-K24 PolarHBondContact O-N 2.79Å
21Q81.7Confident79.4Confident117 Ų11796.4 Ų96.455%0.54747%0.473SS..Hα-helixtrans-65.1-42.9175.6-119.8172.52.400111.1E17 K18 E19 K24 V25E17-Q21 WeakPolarHBondContact O-CB 3.25Å; E17-Q21 PolarHBondContact O-N 2.98Å; K18-Q21 WeakPolarHBondContact O-CB 3.48Å; K18-Q21 PolarHBondContact O-N 3.07Å; E19-Q21 VanDerWaalsContact C-N 3.31Å; E19-Q21 PolarHBondContact O-N 3.07Å; Q21-K24 WeakPolarHBondContact O-CB 3.38Å; Q21-K24 PolarHBondContact O-N 3.36Å; Q21-V25 VanDerWaalsContact O-CG2 3.28Å; Q21-V25 WeakPolarHBondContact O-CG2 3.4Å; Q21-V25 PolarHBondContact O-N 3Å
22Q83.8Confident80.1Confident94 Ų9497.3 Ų97.344%0.43946%0.461SS..Hα-helixtrans-64.2-45.6178.3-172.354.951.400111.3K18 E19 K24 V25 D26K18-Q22 WeakPolarHBondContact O-CB 3.18Å; K18-Q22 PolarHBondContact O-N 3.12Å; E19-Q22 PolarHBondContact O-N 2.97Å; Q22-K24 VanDerWaalsContact C-N 3.33Å; Q22-K24 PolarHBondContact O-N 3.1Å; Q22-V25 CarbonylContact O-C 3.17Å; Q22-V25 WeakPolarHBondContact O-CB 3.37Å; Q22-V25 PolarHBondContact O-N 2.85Å; Q22-V25 VanDerWaalsContact O-N 3.08Å; Q22-D26 VanDerWaalsContact NE2-CG 3.31Å; Q22-D26 PolarHBondContact NE2-OD1 3.44Å; Q22-D26 PolarHBondContact NE2-OD2 3.34Å; Q22-D26 VanDerWaalsContact NE2-OD2 3.07Å; Q22-D26 PolarHBondContact O-N 2.9Å
23Q82.2Confident80.8Confident124 Ų12494.7 Ų94.758%0.57945%0.448SS*.Hα-helixtrans-58.9-42.1174.3-71.9176.17.300112.3E19 V25 D26 L27E19-Q23 WeakPolarHBondContact O-CG 3.22Å; E19-Q23 PolarHBondContact O-N 3Å; Q23-V25 VanDerWaalsContact C-N 3.35Å; Q23-D26 PolarHBondContact O-N 2.96Å; Q23-L27 WeakPolarHBondContact O-CB 3.4Å; Q23-L27 WeakPolarHBondContact O-CG 3.15Å; Q23-L27 PolarHBondContact O-N 3.35Å
24K78.7Confident81.5Confident137 Ų13792.2 Ų92.260%0.59644%0.44SS*.Hα-helixtrans-61.9-41.8173.9-75.3171.2-178171.40111.7R20 Q21 Q22 Y28R20-K24 VanDerWaalsContact O-CG 3.3Å; R20-K24 WeakPolarHBondContact O-CG 3.17Å; R20-K24 PolarHBondContact O-N 2.79Å; Q21-K24 WeakPolarHBondContact O-CB 3.38Å; Q21-K24 PolarHBondContact O-N 3.36Å; Q22-K24 VanDerWaalsContact C-N 3.33Å; Q22-K24 PolarHBondContact O-N 3.1Å; K24-Y28 VanDerWaalsContact O-CB 3.28Å; K24-Y28 WeakPolarHBondContact O-CB 3.35Å; K24-Y28 PolarHBondContact O-N 3.09Å
25V82.3Confident81.6Confident56 Ų5690 Ų9034%0.33943%0.427SS..Hα-helixtrans-65-41.6177.2168.10000111.2Q21 Q22 Q23 Y28 R29Q21-V25 VanDerWaalsContact O-CG2 3.28Å; Q21-V25 WeakPolarHBondContact O-CG2 3.4Å; Q21-V25 PolarHBondContact O-N 3Å; Q22-V25 CarbonylContact O-C 3.17Å; Q22-V25 WeakPolarHBondContact O-CB 3.37Å; Q22-V25 PolarHBondContact O-N 2.85Å; Q22-V25 VanDerWaalsContact O-N 3.08Å; Q23-V25 VanDerWaalsContact C-N 3.35Å; V25-Y28 WeakPolarHBondContact O-CB 3.38Å; V25-Y28 PolarHBondContact O-N 2.9Å; V25-R29 HydrophobicContact CG1-CG 4.39Å; V25-R29 WeakPolarHBondContact O-CB 3.35Å; V25-R29 VanDerWaalsContact O-CG 3.28Å; V25-R29 WeakPolarHBondContact O-CG 3.3Å; V25-R29 PolarHBondContact O-N 3.19Å
26D83.4Confident81.6Confident71 Ų7188.5 Ų88.538%0.3842%0.416SS..Hα-helixtrans-71.2-40.3-179.1-67.3-30.3000112.1Q22 Q23 Y28 R29 K30Q22-D26 VanDerWaalsContact NE2-CG 3.31Å; Q22-D26 PolarHBondContact NE2-OD1 3.44Å; Q22-D26 PolarHBondContact NE2-OD2 3.34Å; Q22-D26 VanDerWaalsContact NE2-OD2 3.07Å; Q22-D26 PolarHBondContact O-N 2.9Å; Q23-D26 PolarHBondContact O-N 2.96Å; D26-Y28 VanDerWaalsContact C-N 3.34Å; D26-R29 PolarHBondContact O-N 2.99Å; D26-R29 IonicContact OD1-NH1 2.7Å; D26-K30 WeakPolarHBondContact O-CB 3.03Å; D26-K30 PolarHBondContact O-N 3Å
27L78.5Confident81.5Confident124 Ų12488.3 Ų88.365%0.64942%0.418SS*.Hα-helixtrans-59.9-45170.2-76.6167.2000111.4Q23 K30 A31Q23-L27 WeakPolarHBondContact O-CB 3.4Å; Q23-L27 WeakPolarHBondContact O-CG 3.15Å; Q23-L27 PolarHBondContact O-N 3.35Å; L27-K30 PolarHBondContact O-N 2.97Å; L27-A31 WeakPolarHBondContact O-CB 3.33Å; L27-A31 PolarHBondContact O-N 3.09Å
28Y79.5Confident81.1Confident58 Ų5886.6 Ų86.623%0.22741%0.409CS..Hα-helixtrans-61.2-45175.8176.4-91.8000111.8K24 V25 D26 A31 R32 I71 N75 F78K24-Y28 VanDerWaalsContact O-CB 3.28Å; K24-Y28 WeakPolarHBondContact O-CB 3.35Å; K24-Y28 PolarHBondContact O-N 3.09Å; V25-Y28 WeakPolarHBondContact O-CB 3.38Å; V25-Y28 PolarHBondContact O-N 2.9Å; D26-Y28 VanDerWaalsContact C-N 3.34Å; Y28-A31 PolarHBondContact O-N 2.94Å; Y28-R32 WeakPolarHBondContact O-CB 3.05Å; Y28-R32 PolarHBondContact O-N 2.51Å; Y28-I71 HydrophobicContact CD2-CG2 4.15Å; Y28-I71 HydrophobicContact CE2-CG2 3.61Å; Y28-N75 HydrophobicContact CE2-CB 3.84Å; Y28-N75 PolarHBondContact OH-ND2 3.35Å; Y28-F78 HydrophobicContact CE2-CD1 4.37Å; Y28-F78 AromaticContact CZ-CD1 3.98Å; Y28-F78 WeakPolarHBondContact OH-CD1 3.5Å; Y28-F78 VanDerWaalsContact OH-CE1 3.24Å; Y28-F78 WeakPolarHBondContact OH-CE1 3.37Å
29R83.8Confident80.5Confident119 Ų11981.5 Ų81.545%0.44939%0.387SS..Hα-helixtrans-61.8-46.8176.8-76.5172178.2177.7-1.3111.2V25 D26 A31 R32 D33V25-R29 HydrophobicContact CG1-CG 4.39Å; V25-R29 WeakPolarHBondContact O-CB 3.35Å; V25-R29 VanDerWaalsContact O-CG 3.28Å; V25-R29 WeakPolarHBondContact O-CG 3.3Å; V25-R29 PolarHBondContact O-N 3.19Å; D26-R29 PolarHBondContact O-N 2.99Å; D26-R29 IonicContact OD1-NH1 2.7Å; R29-A31 PolarHBondContact O-N 3.13Å; R29-R32 PolarHBondContact O-N 3.32Å; R29-D33 VanDerWaalsContact O-CB 3.28Å; R29-D33 WeakPolarHBondContact O-CB 3.16Å; R29-D33 PolarHBondContact O-N 3.09Å
30K83.9Confident79.9Confident150 Ų15082.3 Ų82.365%0.65239%0.389SS*.Hα-helixtrans-60.9-45.5177.6-173.5178.9179.6-179.20112D26 L27 D33 T34D26-K30 WeakPolarHBondContact O-CB 3.03Å; D26-K30 PolarHBondContact O-N 3Å; L27-K30 PolarHBondContact O-N 2.97Å; K30-D33 PolarHBondContact O-N 3.22Å; K30-T34 WeakPolarHBondContact O-CB 3.27Å; K30-T34 PolarHBondContact O-N 2.63Å; K30-T34 PolarHBondContact O-OG1 3.35Å
31A79.7Confident79.2Confident26 Ų2680 Ų8022%0.21539%0.392CS..Hα-helixtrans-64.4-45.8177.600000111.4L27 Y28 R29 T34 V35 V67 I71L27-A31 WeakPolarHBondContact O-CB 3.33Å; L27-A31 PolarHBondContact O-N 3.09Å; Y28-A31 PolarHBondContact O-N 2.94Å; R29-A31 PolarHBondContact O-N 3.13Å; A31-T34 WeakPolarHBondContact O-CB 3.44Å; A31-T34 PolarHBondContact O-N 3.08Å; A31-V35 WeakPolarHBondContact O-CG2 3.43Å; A31-V35 PolarHBondContact O-N 3.31Å; A31-V67 HydrophobicContact CB-CG1 4.36Å; A31-I71 HydrophobicContact CB-CD1 3.8Å; A31-I71 HydrophobicContact CB-CG1 3.75Å
32R83.5Confident77.9Confident85 Ų8574.9 Ų74.932%0.32137%0.369SS..Hα-helixtrans-56.3-53.6173.1178.4-163.171.6-173.5-0.8110.5Y28 R29 T34 V35 F36 F78Y28-R32 WeakPolarHBondContact O-CB 3.05Å; Y28-R32 PolarHBondContact O-N 2.51Å; R29-R32 PolarHBondContact O-N 3.32Å; R32-T34 PolarHBondContact O-N 3.14Å; R32-V35 PolarHBondContact O-N 3.25Å; R32-V35 VanDerWaalsContact O-N 3.08Å; R32-F36 HydrophobicContact CG-CD2 3.57Å; R32-F36 HydrophobicContact CG-CE2 3.78Å; R32-F36 VanDerWaalsContact O-CD2 3.28Å; R32-F36 WeakPolarHBondContact O-CD2 3.28Å; R32-F36 PolarHBondContact O-N 2.81Å; R32-F78 HydrophobicContact CB-CE1 4.48Å; R32-F78 HydrophobicContact CG-CE1 3.9Å; R32-F78 HydrophobicContact CG-CZ 3.99Å
33D85.1Confident76.4Confident84 Ų8475 Ų7545%0.44937%0.372SS..Hα-helixtrans-64.2-30.9-175.9-64.4-11.9000111.4R29 K30 G37R29-D33 VanDerWaalsContact O-CB 3.28Å; R29-D33 WeakPolarHBondContact O-CB 3.16Å; R29-D33 PolarHBondContact O-N 3.09Å; K30-D33 PolarHBondContact O-N 3.22Å; D33-G37 WeakPolarHBondContact O-CA 3.18Å; D33-G37 PolarHBondContact O-N 2.77Å
34T80.9Confident74.9Confident60 Ų6077.6 Ų77.637%0.36838%0.382SS..Hα-helixtrans-63.3-51.2170.5-570000111.2K30 A31 R32 G37 K38K30-T34 WeakPolarHBondContact O-CB 3.27Å; K30-T34 PolarHBondContact O-N 2.63Å; K30-T34 PolarHBondContact O-OG1 3.35Å; A31-T34 WeakPolarHBondContact O-CB 3.44Å; A31-T34 PolarHBondContact O-N 3.08Å; R32-T34 PolarHBondContact O-N 3.14Å; T34-G37 PolarHBondContact O-N 2.72Å; T34-K38 WeakPolarHBondContact O-CG 3.37Å; T34-K38 PolarHBondContact O-N 3.03Å
35V80.3Confident73.4Confident1 Ų172.5 Ų72.51%0.00637%0.368CS..Hα-helixtrans-62.8-46.8178.7174.80000111.4A31 R32 G37 K38 I39 F60 V67 I71 L81A31-V35 WeakPolarHBondContact O-CG2 3.43Å; A31-V35 PolarHBondContact O-N 3.31Å; R32-V35 PolarHBondContact O-N 3.25Å; R32-V35 VanDerWaalsContact O-N 3.08Å; V35-G37 VanDerWaalsContact C-N 3.33Å; V35-G37 PolarHBondContact O-N 3.44Å; V35-K38 PolarHBondContact O-N 3.28Å; V35-I39 HydrophobicContact CG1-CD1 3.8Å; V35-I39 HydrophobicContact CG1-CG1 4.48Å; V35-I39 VanDerWaalsContact O-CG1 3.3Å; V35-I39 WeakPolarHBondContact O-CG1 3.46Å; V35-I39 PolarHBondContact O-N 3.1Å; V35-F60 HydrophobicContact CG1-CD2 4.49Å; V35-F60 HydrophobicContact CG1-CE2 3.86Å; V35-V67 HydrophobicContact CG2-CB 3.79Å; V35-V67 HydrophobicContact CG2-CG1 3.37Å; V35-I71 HydrophobicContact CG2-CD1 3.83Å; V35-L81 HydrophobicContact CG1-CD1 3.78Å
36F81Confident71.7Confident51 Ų5171 Ų7122%0.22436%0.359CS..Hα-helixtrans-71.3-28.8179.2-80.6-89.6000112.8R32 I39 K40 F78 T80R32-F36 HydrophobicContact CG-CD2 3.57Å; R32-F36 HydrophobicContact CG-CE2 3.78Å; R32-F36 VanDerWaalsContact O-CD2 3.28Å; R32-F36 WeakPolarHBondContact O-CD2 3.28Å; R32-F36 PolarHBondContact O-N 2.81Å; F36-I39 HydrophobicContact CD1-CD1 4.26Å; F36-I39 HydrophobicContact CE1-CD1 4.47Å; F36-I39 HydrophobicContact CG-CD1 4.45Å; F36-I39 PolarHBondContact O-N 3.34Å; F36-K40 WeakPolarHBondContact O-CB 3.41Å; F36-K40 VanDerWaalsContact O-CG 3.3Å; F36-K40 WeakPolarHBondContact O-CG 3.27Å; F36-K40 PolarHBondContact O-N 3.04Å; F36-F78 HydrophobicContact CE2-CE1 4.03Å; F36-F78 HydrophobicContact CE2-CE2 4.1Å; F36-F78 AromaticContact CE2-CZ 3.37Å; F36-F78 HydrophobicContact CE2-CZ 3.37Å; F36-F78 AromaticContact CZ-CE2 4Å; F36-F78 HydrophobicContact CZ-CE2 4Å; F36-F78 AromaticContact CZ-CZ 3.73Å; F36-F78 HydrophobicContact CZ-CZ 3.73Å; F36-T80 HydrophobicContact CE1-CG2 3.91Å; F36-T80 HydrophobicContact CZ-CG2 3.71Å
37G78.2Confident70Confident32 Ų3274.1 Ų74.133%0.3338%0.375SS..Hα-helixtrans-58.4-48.9168.700000110.9D33 T34 V35 K40 T41D33-G37 WeakPolarHBondContact O-CA 3.18Å; D33-G37 PolarHBondContact O-N 2.77Å; T34-G37 PolarHBondContact O-N 2.72Å; V35-G37 VanDerWaalsContact C-N 3.33Å; V35-G37 PolarHBondContact O-N 3.44Å; G37-K40 PolarHBondContact O-N 3.22Å; G37-T41 WeakPolarHBondContact O-CG2 3.49Å; G37-T41 PolarHBondContact O-N 2.85Å; G37-T41 PolarHBondContact O-OG1 2.94Å
38K71.2Confident68.3Low38 Ų3874.9 Ų74.917%0.16538%0.379CS..Hα-helixtrans-63.9-43.3175.6-67.5-173.4177.8-1660113.3T34 V35 K40 T41 G42 G59 E63T34-K38 WeakPolarHBondContact O-CG 3.37Å; T34-K38 PolarHBondContact O-N 3.03Å; V35-K38 PolarHBondContact O-N 3.28Å; K38-K40 VanDerWaalsContact C-N 3.28Å; K38-K40 PolarHBondContact O-N 3.14Å; K38-T41 WeakPolarHBondContact CA-OG1 3.44Å; K38-T41 PolarHBondContact O-N 2.97Å; K38-T41 PolarHBondContact O-OG1 3.33Å; K38-G42 PolarHBondContact O-N 2.79Å; K38-G59 CarbonylContact C-O 3.54Å; K38-G59 WeakPolarHBondContact CB-O 3.3Å; K38-G59 WeakPolarHBondContact O-CA 3.4Å; K38-E63 IonicContact NZ-OE1 3.64Å; K38-E63 PolarHBondContact NZ-OE1 3.01Å; K38-E63 IonicContact NZ-OE2 3.88Å; K38-E63 PolarHBondContact NZ-OE2 2.92Å
39I69.9Low66.6Low9 Ų974.3 Ų74.35%0.04638%0.383CS..Hα-helixtrans-58-43.6173.9-67.1163000110.3V35 F36 G42 I43 F60V35-I39 HydrophobicContact CG1-CD1 3.8Å; V35-I39 HydrophobicContact CG1-CG1 4.48Å; V35-I39 VanDerWaalsContact O-CG1 3.3Å; V35-I39 WeakPolarHBondContact O-CG1 3.46Å; V35-I39 PolarHBondContact O-N 3.1Å; F36-I39 HydrophobicContact CD1-CD1 4.26Å; F36-I39 HydrophobicContact CE1-CD1 4.47Å; F36-I39 HydrophobicContact CG-CD1 4.45Å; F36-I39 PolarHBondContact O-N 3.34Å; I39-G42 PolarHBondContact O-N 3.36Å; I39-I43 HydrophobicContact CG2-CD1 3.97Å; I39-I43 VanDerWaalsContact O-CG1 3.29Å; I39-I43 WeakPolarHBondContact O-CG1 3.33Å; I39-I43 PolarHBondContact O-N 2.85Å; I39-F60 HydrophobicContact CD1-CD2 4.02Å; I39-F60 HydrophobicContact CD1-CE2 4.25Å; I39-F60 HydrophobicContact CG1-CD2 3.88Å
40K69.4Low64.8Low147 Ų14774.4 Ų74.464%0.63939%0.391SS*.Hα-helixtrans-69.5-42.2179.3-78.1179.3-179.5-178.90113.5F36 G37 K38 G42 I43 K44F36-K40 WeakPolarHBondContact O-CB 3.41Å; F36-K40 VanDerWaalsContact O-CG 3.3Å; F36-K40 WeakPolarHBondContact O-CG 3.27Å; F36-K40 PolarHBondContact O-N 3.04Å; G37-K40 PolarHBondContact O-N 3.22Å; K38-K40 VanDerWaalsContact C-N 3.28Å; K38-K40 PolarHBondContact O-N 3.14Å; K40-G42 PolarHBondContact O-N 3.24Å; K40-I43 PolarHBondContact O-N 3.18Å; K40-K44 PolarHBondContact O-N 3.39Å; K40-K44 VanDerWaalsContact O-N 3.1Å
41T65.7Low63.1Low98 Ų9876.1 Ų76.160%0.60140%0.398SS*.Hα-helixtrans-64-35.7176.751.80000111G37 K38 K44 G45G37-T41 WeakPolarHBondContact O-CG2 3.49Å; G37-T41 PolarHBondContact O-N 2.85Å; G37-T41 PolarHBondContact O-OG1 2.94Å; K38-T41 WeakPolarHBondContact CA-OG1 3.44Å; K38-T41 PolarHBondContact O-N 2.97Å; K38-T41 PolarHBondContact O-OG1 3.33Å; T41-K44 PolarHBondContact O-N 2.67Å; T41-G45 PolarHBondContact O-N 3.07Å
42G54.5Low61.2Low8 Ų880.9 Ų80.98%0.08242%0.42CS..Hα-helixtrans-64.9-42.6170.900000114K38 I39 K40 K44 G45 V46 A58K38-G42 PolarHBondContact O-N 2.79Å; I39-G42 PolarHBondContact O-N 3.36Å; K40-G42 PolarHBondContact O-N 3.24Å; G42-K44 VanDerWaalsContact C-N 3.29Å; G42-K44 PolarHBondContact O-N 2.86Å; G42-G45 CarbonylContact O-C 3.59Å; G42-G45 VanDerWaalsContact O-CA 3.29Å; G42-G45 WeakPolarHBondContact O-CA 3.33Å; G42-G45 PolarHBondContact O-N 3.16Å; G42-V46 WeakPolarHBondContact O-CG2 3.43Å; G42-V46 PolarHBondContact O-N 3.03Å; G42-A58 CarbonylContact C-O 3.41Å; G42-A58 VanDerWaalsContact CA-C 3.44Å; G42-A58 WeakPolarHBondContact CA-O 3.25Å; G42-A58 WeakPolarHBondContact O-CB 3.3Å
43I52.6Low59.4Low97 Ų9786.8 Ų86.850%0.49745%0.448SS..Hα-helixtrans-60.4-35174-69.5164.4000112.3I39 K40 G45 V46 L47I39-I43 HydrophobicContact CG2-CD1 3.97Å; I39-I43 VanDerWaalsContact O-CG1 3.29Å; I39-I43 WeakPolarHBondContact O-CG1 3.33Å; I39-I43 PolarHBondContact O-N 2.85Å; K40-I43 PolarHBondContact O-N 3.18Å; I43-G45 PolarHBondContact O-N 2.97Å; I43-V46 WeakPolarHBondContact O-CA 3.22Å; I43-V46 WeakPolarHBondContact O-CB 2.63Å; I43-V46 PolarHBondContact O-N 2.84Å; I43-L47 PolarHBondContact O-N 3.48Å
44K50.1Low57.5Low179 Ų17989.6 Ų89.678%0.77846%0.458SS*.Hα-helixtrans-63.3-30.4171.5-74.7-174.1175.9-176.60112.5K40 T41 G42K40-K44 PolarHBondContact O-N 3.39Å; K40-K44 VanDerWaalsContact O-N 3.1Å; T41-K44 PolarHBondContact O-N 2.67Å; G42-K44 VanDerWaalsContact C-N 3.29Å; G42-K44 PolarHBondContact O-N 2.86Å
45G48.8Very low55.8Low30 Ų3090.7 Ų90.731%0.30947%0.473SS..Hα-helixtrans-74.1-30.2167.300000113.5T41 G42 I43 L47 L48 C49T41-G45 PolarHBondContact O-N 3.07Å; G42-G45 CarbonylContact O-C 3.59Å; G42-G45 VanDerWaalsContact O-CA 3.29Å; G42-G45 WeakPolarHBondContact O-CA 3.33Å; G42-G45 PolarHBondContact O-N 3.16Å; I43-G45 PolarHBondContact O-N 2.97Å; G45-L47 PolarHBondContact O-N 3.11Å; G45-L48 WeakPolarHBondContact O-CA 3.35Å; G45-L48 VanDerWaalsContact O-CB 3.23Å; G45-L48 WeakPolarHBondContact O-CB 3.38Å; G45-L48 PolarHBondContact O-N 3.3Å; G45-C49 PolarHBondContact O-N 2.88Å
46V45.5Very low54.2Low24 Ų2495 Ų9515%0.14550%0.496CS..Hα-helixtrans-66.8-32.5177.1177.70000112.5G42 I43 L48 C49 I50 A58G42-V46 WeakPolarHBondContact O-CG2 3.43Å; G42-V46 PolarHBondContact O-N 3.03Å; I43-V46 WeakPolarHBondContact O-CA 3.22Å; I43-V46 WeakPolarHBondContact O-CB 2.63Å; I43-V46 PolarHBondContact O-N 2.84Å; V46-L48 PolarHBondContact O-N 3.15Å; V46-L48 VanDerWaalsContact O-N 3.17Å; V46-C49 CarbonylContact O-C 3.41Å; V46-C49 PolarHBondContact O-N 3.24Å; V46-I50 HydrophobicContact CG1-CD1 3.9Å; V46-I50 HydrophobicContact CG1-CG1 3.78Å; V46-I50 WeakPolarHBondContact O-CG1 3.33Å; V46-I50 PolarHBondContact O-N 3.23Å; V46-A58 HydrophobicContact CG2-CB 3.79Å
47L47.6Very low52.8Low136 Ų13694.2 Ų94.271%0.71250%0.495SS*.Hα-helixtrans-60-26.4172-131.190.4000112I43 G45I43-L47 PolarHBondContact O-N 3.48Å; G45-L47 PolarHBondContact O-N 3.11Å
48L42.7Very low51.6Low141 Ų14194.1 Ų94.174%0.73849%0.491SS*.Hα-helixtrans-80.9-36.5171.3-162.269.8000111.9G45 V46G45-L48 WeakPolarHBondContact O-CA 3.35Å; G45-L48 VanDerWaalsContact O-CB 3.23Å; G45-L48 WeakPolarHBondContact O-CB 3.38Å; G45-L48 PolarHBondContact O-N 3.3Å; V46-L48 PolarHBondContact O-N 3.15Å; V46-L48 VanDerWaalsContact O-N 3.17Å
49C44.3Very low51.2Low45 Ų4593.4 Ų93.430%0.30450%0.495SS..Hα-helixtrans-84.5-15.6-178.5-63.90000115.8G45 V46 F51 L52G45-C49 PolarHBondContact O-N 2.88Å; V46-C49 CarbonylContact O-C 3.41Å; V46-C49 PolarHBondContact O-N 3.24Å; C49-F51 PolarHBondContact O-N 2.83Å; C49-F51 VanDerWaalsContact O-N 3.15Å; C49-L52 CarbonylContact O-C 3.52Å; C49-L52 WeakPolarHBondContact O-CA 3.13Å; C49-L52 PolarHBondContact O-N 3.23Å
50I46.2Very low51.2Low121 Ų12193.2 Ų93.262%0.62149%0.494SS*.THydrogen-bonded Turntrans-59.8-23.6174.4-76.4164.4000111.1V46 L52V46-I50 HydrophobicContact CG1-CD1 3.9Å; V46-I50 HydrophobicContact CG1-CG1 3.78Å; V46-I50 WeakPolarHBondContact O-CG1 3.33Å; V46-I50 PolarHBondContact O-N 3.23Å; I50-L52 PolarHBondContact O-N 3.31Å
51F47.5Very low51.8Low186 Ų18689.2 Ų89.282%0.81648%0.48SS*.THydrogen-bonded Turntrans-63.7-15.5168.4-89-82.7000114.4C49C49-F51 PolarHBondContact O-N 2.83Å; C49-F51 VanDerWaalsContact O-N 3.15Å
52L39.8Very low52.6Low127 Ų12787.5 Ų87.567%0.66548%0.475SS*.SBendtrans-128.867.8-175.5-66174.1000111.3C49 I50 H54C49-L52 CarbonylContact O-C 3.52Å; C49-L52 WeakPolarHBondContact O-CA 3.13Å; C49-L52 PolarHBondContact O-N 3.23Å; I50-L52 PolarHBondContact O-N 3.31Å; L52-H54 PolarHBondContact O-N 3.01Å
53K46.7Very low54.1Low208 Ų20892.3 Ų92.390%0.90450%0.495SS*.SBendtrans14.412.9164.3-75.3-172.2177.2-178.80123.3
54H44.1Very low55.7Low143 Ų14387.7 Ų87.766%0.66247%0.472SS*.  trans-124.593.6174.9-64.287.9000104.7L52 N56L52-H54 PolarHBondContact O-N 3.01Å; H54-N56 PolarHBondContact O-N 2.92Å
55A46.3Very low57.6Low84 Ų8480.1 Ų80.169%0.69444%0.439SS*.  trans-67.681.5171.200000108.3V57 Q91A55-V57 PolarHBondContact O-N 2.72Å; A55-Q91 PolarHBondContact O-NE2 3Å
56N45.7Very low59.5Low92 Ų9284.1 Ų84.149%0.49245%0.454SS..  trans-53.6134.9161.8-77.4-15.6000106.5H54 A58H54-N56 PolarHBondContact O-N 2.92Å; N56-A58 HydrophobicContact CB-CB 4.43Å; N56-A58 PolarHBondContact O-N 2.94Å
57V51.6Low61.6Low33 Ų3384.7 Ų84.720%0.246%0.457CS..  trans-73.768.1159.9-174.50000105A55 G59 F60 K87A55-V57 PolarHBondContact O-N 2.72Å; V57-G59 PolarHBondContact O-N 3.3Å; V57-F60 HydrophobicContact CG1-CB 3.94Å; V57-F60 PolarHBondContact O-N 3.06Å; V57-K87 HydrophobicContact CG2-CB 3.78Å; V57-K87 HydrophobicContact CG2-CD 4.03Å; V57-K87 HydrophobicContact CG2-CG 4.49Å
58A53.4Low63.7Low30 Ų3078.2 Ų78.225%0.24842%0.423CS..THydrogen-bonded Turntrans-56.7130.9177.800000106.2G42 V46 N56G42-A58 CarbonylContact C-O 3.41Å; G42-A58 VanDerWaalsContact CA-C 3.44Å; G42-A58 WeakPolarHBondContact CA-O 3.25Å; G42-A58 WeakPolarHBondContact O-CB 3.3Å; V46-A58 HydrophobicContact CG2-CB 3.79Å; N56-A58 HydrophobicContact CB-CB 4.43Å; N56-A58 PolarHBondContact O-N 2.94Å
59G63.3Low66Low23 Ų2376.7 Ų76.724%0.23741%0.411CS..THydrogen-bonded Turntrans99.9-7.4178.700000116.7K38 V57K38-G59 CarbonylContact C-O 3.54Å; K38-G59 WeakPolarHBondContact CB-O 3.3Å; K38-G59 WeakPolarHBondContact O-CA 3.4Å; V57-G59 PolarHBondContact O-N 3.3Å
60F69.1Low68.2Low6 Ų677.4 Ų77.43%0.02642%0.42CS..  trans-106.1110.3166.5-150.3-91.9000108.3V35 I39 V57 A64 M65 L81 H84 R85 Y88V35-F60 HydrophobicContact CG1-CD2 4.49Å; V35-F60 HydrophobicContact CG1-CE2 3.86Å; I39-F60 HydrophobicContact CD1-CD2 4.02Å; I39-F60 HydrophobicContact CD1-CE2 4.25Å; I39-F60 HydrophobicContact CG1-CD2 3.88Å; V57-F60 HydrophobicContact CG1-CB 3.94Å; V57-F60 PolarHBondContact O-N 3.06Å; F60-A64 HydrophobicContact CD1-CB 4.23Å; F60-A64 HydrophobicContact CD2-CB 3.88Å; F60-A64 HydrophobicContact CE1-CB 4.37Å; F60-A64 HydrophobicContact CE2-CB 4.03Å; F60-A64 HydrophobicContact CG-CB 4.01Å; F60-A64 HydrophobicContact CZ-CB 4.28Å; F60-M65 HydrophobicContact CD1-CG 4.41Å; F60-M65 HydrophobicContact CD1-SD 4.34Å; F60-M65 HydrophobicContact CE1-CG 3.99Å; F60-M65 HydrophobicContact CE1-SD 3.59Å; F60-M65 VanDerWaalsContact CE1-SD 3.59Å; F60-L81 HydrophobicContact CE2-CD1 4.06Å; F60-L81 HydrophobicContact CZ-CD1 4.23Å; F60-H84 HydrophobicContact CD2-CB 3.73Å; F60-H84 HydrophobicContact CE1-CB 4.48Å; F60-H84 HydrophobicContact CE2-CB 3.56Å; F60-H84 HydrophobicContact CG-CB 4.27Å; F60-H84 HydrophobicContact CZ-CB 3.96Å; F60-R85 HydrophobicContact CE1-CB 4.48Å; F60-R85 HydrophobicContact CE1-CG 4.03Å; F60-R85 HydrophobicContact CZ-CG 3.89Å; F60-Y88 HydrophobicContact CD1-CD1 4.44Å; F60-Y88 HydrophobicContact CD1-CD2 4.46Å; F60-Y88 AromaticContact CD1-CG 3.94Å; F60-Y88 HydrophobicContact CD1-CG 3.94Å; F60-Y88 WeakPolarHBondContact O-CD2 3.45Å; F60-Y88 WeakPolarHBondContact O-CE2 3.13Å
61D81.4Confident70.3Confident63 Ų6372 Ų7234%0.33739%0.392SS..  trans-125.2-173.7-172.858.216.3000111.3E63 A64 M65D61-E63 VanDerWaalsContact C-N 3.26Å; D61-E63 PolarHBondContact O-N 3.07Å; D61-E63 PolarHBondContact OD1-N 2.9Å; D61-A64 PolarHBondContact O-N 3.14Å; D61-A64 WeakPolarHBondContact OD1-CB 3.45Å; D61-A64 PolarHBondContact OD1-N 3.32Å; D61-M65 WeakPolarHBondContact O-CG 3.05Å; D61-M65 PolarHBondContact O-N 3.19Å
62A84.2Confident72.6Confident61 Ų6163.1 Ų63.150%0.50435%0.353SS..Hα-helixtrans-57.6-37.4177.100000112.7M65 D66 Y88A62-M65 WeakPolarHBondContact O-CB 3.49Å; A62-M65 PolarHBondContact O-N 3.5Å; A62-D66 PolarHBondContact O-N 2.94Å; A62-Y88 PolarHBondContact N-OH 2.91Å
63E85.2Confident75Confident110 Ų11058.9 Ų58.951%0.51433%0.334SS..Hα-helixtrans-70.4-39.4177.6-160.6-164.1135.600111.2K38 D61 M65 D66 V67K38-E63 IonicContact NZ-OE1 3.64Å; K38-E63 PolarHBondContact NZ-OE1 3.01Å; K38-E63 IonicContact NZ-OE2 3.88Å; K38-E63 PolarHBondContact NZ-OE2 2.92Å; D61-E63 VanDerWaalsContact C-N 3.26Å; D61-E63 PolarHBondContact O-N 3.07Å; D61-E63 PolarHBondContact OD1-N 2.9Å; E63-M65 VanDerWaalsContact C-N 3.26Å; E63-M65 PolarHBondContact O-N 2.87Å; E63-D66 PolarHBondContact O-N 2.82Å; E63-D66 VanDerWaalsContact O-N 3.15Å; E63-V67 WeakPolarHBondContact O-CG2 3.21Å; E63-V67 PolarHBondContact O-N 3.34Å
64A86.2Confident77Confident0 Ų052.2 Ų52.20%031%0.314CS..Hα-helixtrans-63.5-32.7172.100000111.8F60 D61 S68F60-A64 HydrophobicContact CD1-CB 4.23Å; F60-A64 HydrophobicContact CD2-CB 3.88Å; F60-A64 HydrophobicContact CE1-CB 4.37Å; F60-A64 HydrophobicContact CE2-CB 4.03Å; F60-A64 HydrophobicContact CG-CB 4.01Å; F60-A64 HydrophobicContact CZ-CB 4.28Å; D61-A64 PolarHBondContact O-N 3.14Å; D61-A64 WeakPolarHBondContact OD1-CB 3.45Å; D61-A64 PolarHBondContact OD1-N 3.32Å; A64-S68 WeakPolarHBondContact O-CB 3.21Å; A64-S68 PolarHBondContact O-N 3.06Å; A64-S68 PolarHBondContact O-OG 3.04Å
65M89.7Confident79.2Confident20 Ų2048 Ų4810%0.09930%0.296CS..Hα-helixtrans-63.4-42.8170-73.7-71.6-77.200111.7F60 D61 A62 E63 S68 K69 R85 Y88 L89F60-M65 HydrophobicContact CD1-CG 4.41Å; F60-M65 HydrophobicContact CD1-SD 4.34Å; F60-M65 HydrophobicContact CE1-CG 3.99Å; F60-M65 HydrophobicContact CE1-SD 3.59Å; F60-M65 VanDerWaalsContact CE1-SD 3.59Å; D61-M65 WeakPolarHBondContact O-CG 3.05Å; D61-M65 PolarHBondContact O-N 3.19Å; A62-M65 WeakPolarHBondContact O-CB 3.49Å; A62-M65 PolarHBondContact O-N 3.5Å; E63-M65 VanDerWaalsContact C-N 3.26Å; E63-M65 PolarHBondContact O-N 2.87Å; M65-S68 WeakPolarHBondContact CA-OG 3.34Å; M65-S68 PolarHBondContact O-OG 2.9Å; M65-K69 WeakPolarHBondContact O-CB 3.48Å; M65-K69 PolarHBondContact O-N 2.96Å; M65-R85 VanDerWaalsContact CE-CZ 3.5Å; M65-R85 PolarHBondContact O-NH1 3.28Å; M65-R85 HydrophobicContact SD-CB 4.1Å; M65-R85 HydrophobicContact SD-CG 3.88Å; M65-Y88 HydrophobicContact CE-CD1 4.3Å; M65-Y88 HydrophobicContact CG-CD1 3.46Å; M65-Y88 VanDerWaalsContact CG-CD1 3.46Å; M65-Y88 HydrophobicContact CG-CE1 3.53Å; M65-Y88 HydrophobicContact CG-CG 4.45Å; M65-Y88 HydrophobicContact SD-CD1 3.71Å; M65-Y88 HydrophobicContact SD-CE1 4.35Å; M65-L89 HydrophobicContact CE-CD1 4.05Å; M65-L89 HydrophobicContact CE-CD2 3.63Å; M65-L89 HydrophobicContact CE-CG 3.76Å
66D89.6Confident81.5Confident114 Ų11444.1 Ų44.161%0.6126%0.264SS*.Hα-helixtrans-68.6-44.9178.3-72.6-30.8000112.6A62 E63 S68 K69 A70A62-D66 PolarHBondContact O-N 2.94Å; E63-D66 PolarHBondContact O-N 2.82Å; E63-D66 VanDerWaalsContact O-N 3.15Å; D66-S68 VanDerWaalsContact C-N 3.33Å; D66-S68 PolarHBondContact O-N 3.12Å; D66-K69 WeakPolarHBondContact O-CB 3.25Å; D66-K69 PolarHBondContact O-N 2.51Å; D66-A70 PolarHBondContact O-N 2.81Å
67V88.2Confident83.7Confident35 Ų3543 Ų4321%0.21226%0.258CS..Hα-helixtrans-64.1-42177.1-178.60000110.6A31 V35 E63 K69 A70 I71A31-V67 HydrophobicContact CB-CG1 4.36Å; V35-V67 HydrophobicContact CG2-CB 3.79Å; V35-V67 HydrophobicContact CG2-CG1 3.37Å; E63-V67 WeakPolarHBondContact O-CG2 3.21Å; E63-V67 PolarHBondContact O-N 3.34Å; V67-K69 VanDerWaalsContact C-N 3.33Å; V67-K69 PolarHBondContact O-N 3.2Å; V67-A70 PolarHBondContact O-N 3.11Å; V67-I71 HydrophobicContact CG1-CD1 4Å; V67-I71 HydrophobicContact CG1-CG1 4.49Å; V67-I71 WeakPolarHBondContact O-CG1 3.42Å; V67-I71 PolarHBondContact O-N 3.35Å; V67-I71 VanDerWaalsContact O-N 3.08Å
68S91.4Very high85.6Confident0 Ų042.8 Ų42.80%025%0.254CS..Hα-helixtrans-67.2-33.117960.50000112.9A64 M65 D66 I71 L72 L81 R85A64-S68 WeakPolarHBondContact O-CB 3.21Å; A64-S68 PolarHBondContact O-N 3.06Å; A64-S68 PolarHBondContact O-OG 3.04Å; M65-S68 WeakPolarHBondContact CA-OG 3.34Å; M65-S68 PolarHBondContact O-OG 2.9Å; D66-S68 VanDerWaalsContact C-N 3.33Å; D66-S68 PolarHBondContact O-N 3.12Å; S68-I71 PolarHBondContact O-N 2.55Å; S68-L72 WeakPolarHBondContact O-CB 3.48Å; S68-L72 VanDerWaalsContact O-CG 3.23Å; S68-L72 WeakPolarHBondContact O-CG 3.23Å; S68-L72 PolarHBondContact O-N 3.14Å; S68-L81 VanDerWaalsContact CB-CD1 3.46Å; S68-R85 PolarHBondContact OG-NH1 3.36Å
69K93Very high87.5Confident110 Ų11044.8 Ų44.848%0.47826%0.263SS..Hα-helixtrans-56.6-50.6171.2-176.3-173.6177.5179.10110.9M65 D66 V67 I71 L72 S73 L117M65-K69 WeakPolarHBondContact O-CB 3.48Å; M65-K69 PolarHBondContact O-N 2.96Å; D66-K69 WeakPolarHBondContact O-CB 3.25Å; D66-K69 PolarHBondContact O-N 2.51Å; V67-K69 VanDerWaalsContact C-N 3.33Å; V67-K69 PolarHBondContact O-N 3.2Å; K69-I71 VanDerWaalsContact C-N 3.33Å; K69-I71 PolarHBondContact O-N 2.91Å; K69-L72 PolarHBondContact O-N 2.99Å; K69-S73 WeakPolarHBondContact O-CB 3.19Å; K69-S73 PolarHBondContact O-N 2.83Å; K69-S73 PolarHBondContact O-OG 2.68Å; K69-S73 VanDerWaalsContact O-OG 3.05Å; K69-L117 HydrophobicContact CB-CD2 4.41Å; K69-L117 HydrophobicContact CG-CD1 3.6Å; K69-L117 HydrophobicContact CG-CD2 4.12Å; K69-L117 HydrophobicContact CG-CG 4.42Å
70A89.6Confident88.8Confident60 Ų6046.8 Ų46.850%0.49627%0.271SS..Hα-helixtrans-62-39.1179.200000112.9D66 V67 S74D66-A70 PolarHBondContact O-N 2.81Å; V67-A70 PolarHBondContact O-N 3.11Å; A70-S74 PolarHBondContact O-N 3.29Å; A70-S74 PolarHBondContact O-OG 2.74Å; A70-S74 VanDerWaalsContact O-OG 3.06Å
71I90.6Very high89.9Confident6 Ų646.5 Ų46.53%0.03127%0.27CS..Hα-helixtrans-65.6-46.8176-65.4169.9000110.9Y28 A31 V35 V67 S68 K69 S74 N75 F78 L81Y28-I71 HydrophobicContact CD2-CG2 4.15Å; Y28-I71 HydrophobicContact CE2-CG2 3.61Å; A31-I71 HydrophobicContact CB-CD1 3.8Å; A31-I71 HydrophobicContact CB-CG1 3.75Å; V35-I71 HydrophobicContact CG2-CD1 3.83Å; V67-I71 HydrophobicContact CG1-CD1 4Å; V67-I71 HydrophobicContact CG1-CG1 4.49Å; V67-I71 WeakPolarHBondContact O-CG1 3.42Å; V67-I71 PolarHBondContact O-N 3.35Å; V67-I71 VanDerWaalsContact O-N 3.08Å; S68-I71 PolarHBondContact O-N 2.55Å; K69-I71 VanDerWaalsContact C-N 3.33Å; K69-I71 PolarHBondContact O-N 2.91Å; I71-S74 CarbonylContact O-C 3.44Å; I71-S74 WeakPolarHBondContact O-CA 3.34Å; I71-S74 WeakPolarHBondContact O-CB 3.24Å; I71-S74 PolarHBondContact O-N 3.16Å; I71-N75 PolarHBondContact O-N 2.91Å; I71-F78 HydrophobicContact CG2-CD1 3.83Å; I71-F78 HydrophobicContact CG2-CE1 4.37Å; I71-L81 HydrophobicContact CB-CD2 3.76Å; I71-L81 HydrophobicContact CD1-CD2 4.15Å; I71-L81 HydrophobicContact CG2-CD2 3.55Å
72L94.7Very high90.5Very high0 Ų043.7 Ų43.70%025%0.254CS..Hα-helixtrans-70.1-40.6-176.6-71.1172.4000112.5S68 K69 S74 N75 P76 F78 L81 W82 R85 C121S68-L72 WeakPolarHBondContact O-CB 3.48Å; S68-L72 VanDerWaalsContact O-CG 3.23Å; S68-L72 WeakPolarHBondContact O-CG 3.23Å; S68-L72 PolarHBondContact O-N 3.14Å; K69-L72 PolarHBondContact O-N 2.99Å; L72-S74 PolarHBondContact O-N 3.34Å; L72-S74 VanDerWaalsContact O-N 3.09Å; L72-N75 CarbonylContact O-C 3.54Å; L72-N75 PolarHBondContact O-N 2.88Å; L72-P76 WeakPolarHBondContact O-CA 3.49Å; L72-P76 WeakPolarHBondContact O-CD 3.24Å; L72-P76 VanDerWaalsContact O-N 3.11Å; L72-F78 HydrophobicContact CD2-CB 3.96Å; L72-L81 HydrophobicContact CD1-CD2 4.47Å; L72-L81 HydrophobicContact CD1-CG 4.31Å; L72-L81 HydrophobicContact CD2-CB 4.17Å; L72-L81 HydrophobicContact CD2-CD2 4.05Å; L72-L81 HydrophobicContact CD2-CG 4.26Å; L72-L81 HydrophobicContact CG-CD2 3.87Å; L72-L81 HydrophobicContact CG-CG 4.19Å; L72-W82 HydrophobicContact CB-CH2 4.44Å; L72-W82 HydrophobicContact CB-CZ2 4.12Å; L72-W82 HydrophobicContact CD1-CD2 3.69Å; L72-W82 HydrophobicContact CD1-CE3 3.66Å; L72-W82 HydrophobicContact CD1-CG 4.36Å; L72-W82 HydrophobicContact CD1-CH2 3.91Å; L72-W82 HydrophobicContact CD1-CZ2 3.93Å; L72-W82 HydrophobicContact CD1-CZ3 3.76Å; L72-W82 HydrophobicContact CD2-CD2 4.02Å; L72-W82 HydrophobicContact CD2-CG 4.11Å; L72-W82 HydrophobicContact CD2-CZ2 4.13Å; L72-W82 HydrophobicContact CG-CD2 4.45Å; L72-W82 HydrophobicContact CG-CZ2 4.29Å; L72-R85 HydrophobicContact CD1-CG 4.39Å; L72-C121 VanDerWaalsContact C-SG 3.59Å
73S91.5Very high90.9Very high38 Ų3843.3 Ų43.327%0.26624%0.244SC..Hα-helixtrans-58.7-22169.2-59.80000111.9K69 L117 K124K69-S73 WeakPolarHBondContact O-CB 3.19Å; K69-S73 PolarHBondContact O-N 2.83Å; K69-S73 PolarHBondContact O-OG 2.68Å; K69-S73 VanDerWaalsContact O-OG 3.05Å; S73-L117 WeakPolarHBondContact OG-CD1 3.39Å; S73-K124 WeakPolarHBondContact O-CD 3.39Å
74S87.7Confident91.1Very high69 Ų6939.6 Ų39.648%0.48323%0.227SC..Hα-helixtrans-88.1-42174.6-64.90000113.8A70 I71 L72 K124A70-S74 PolarHBondContact O-N 3.29Å; A70-S74 PolarHBondContact O-OG 2.74Å; A70-S74 VanDerWaalsContact O-OG 3.06Å; I71-S74 CarbonylContact O-C 3.44Å; I71-S74 WeakPolarHBondContact O-CA 3.34Å; I71-S74 WeakPolarHBondContact O-CB 3.24Å; I71-S74 PolarHBondContact O-N 3.16Å; L72-S74 PolarHBondContact O-N 3.34Å; L72-S74 VanDerWaalsContact O-N 3.09Å; S74-K124 VanDerWaalsContact CA-NZ 3.26Å; S74-K124 PolarHBondContact O-NZ 3.1Å
75N90.2Very high91.4Very high53 Ų5340 Ų4028%0.28323%0.228SC..  trans-137.692.8-179.5177.78.5000110.1Y28 I71 L72 D77 F78Y28-N75 HydrophobicContact CE2-CB 3.84Å; Y28-N75 PolarHBondContact OH-ND2 3.35Å; I71-N75 PolarHBondContact O-N 2.91Å; L72-N75 CarbonylContact O-C 3.54Å; L72-N75 PolarHBondContact O-N 2.88Å; N75-D77 PolarHBondContact O-N 2.7Å; N75-D77 PolarHBondContact OD1-N 3.48Å; N75-D77 VanDerWaalsContact OD1-N 3.17Å; N75-F78 PolarHBondContact O-N 3.19Å
76P94.4Very high91.6Very high4 Ų441.7 Ų41.73%0.02623%0.233CC..THydrogen-bonded Turntrans-64.2-18.7-179.9-2839000114.8L72 F78 W82 C121 N125 S128 A131L72-P76 WeakPolarHBondContact O-CA 3.49Å; L72-P76 WeakPolarHBondContact O-CD 3.24Å; L72-P76 VanDerWaalsContact O-N 3.11Å; P76-F78 VanDerWaalsContact C-N 3.26Å; P76-F78 PolarHBondContact O-N 3.43Å; P76-W82 PolarHBondContact O-NE1 3.4Å; P76-C121 HydrophobicContact CB-CB 3.98Å; P76-C121 HydrophobicContact CG-CB 3.82Å; P76-C121 WeakPolarHBondContact CG-O 3.42Å; P76-N125 HydrophobicContact CB-CB 4.43Å; P76-N125 HydrophobicContact CG-CB 3.97Å; P76-S128 PolarHBondContact O-OG 3.27Å; P76-A131 HydrophobicContact CB-CB 4.21Å
77D93.1Very high91.6Very high67 Ų6741.7 Ų41.736%0.35823%0.228SC..THydrogen-bonded Turntrans-86.310.4-175.8-66.2-47.5000114.1N75 T79 N125 S128N75-D77 PolarHBondContact O-N 2.7Å; N75-D77 PolarHBondContact OD1-N 3.48Å; N75-D77 VanDerWaalsContact OD1-N 3.17Å; D77-T79 VanDerWaalsContact C-N 3.26Å; D77-T79 PolarHBondContact O-N 3.01Å; D77-T79 PolarHBondContact O-OG1 2.81Å; D77-N125 PolarHBondContact OD2-ND2 3.15Å; D77-S128 VanDerWaalsContact OD1-CA 3.25Å; D77-S128 WeakPolarHBondContact OD1-CA 3.33Å; D77-S128 WeakPolarHBondContact OD1-CB 3.21Å; D77-S128 PolarHBondContact OD1-OG 3.05Å
78F91.8Very high91.7Very high29 Ų2942 Ų4213%0.12723%0.226CC..  trans-77.874.4177.6-157.5165.6000112Y28 R32 F36 I71 L72 N75 P76 T80 L81 W82Y28-F78 HydrophobicContact CE2-CD1 4.37Å; Y28-F78 AromaticContact CZ-CD1 3.98Å; Y28-F78 WeakPolarHBondContact OH-CD1 3.5Å; Y28-F78 VanDerWaalsContact OH-CE1 3.24Å; Y28-F78 WeakPolarHBondContact OH-CE1 3.37Å; R32-F78 HydrophobicContact CB-CE1 4.48Å; R32-F78 HydrophobicContact CG-CE1 3.9Å; R32-F78 HydrophobicContact CG-CZ 3.99Å; F36-F78 HydrophobicContact CE2-CE1 4.03Å; F36-F78 HydrophobicContact CE2-CE2 4.1Å; F36-F78 AromaticContact CE2-CZ 3.37Å; F36-F78 HydrophobicContact CE2-CZ 3.37Å; F36-F78 AromaticContact CZ-CE2 4Å; F36-F78 HydrophobicContact CZ-CE2 4Å; F36-F78 AromaticContact CZ-CZ 3.73Å; F36-F78 HydrophobicContact CZ-CZ 3.73Å; I71-F78 HydrophobicContact CG2-CD1 3.83Å; I71-F78 HydrophobicContact CG2-CE1 4.37Å; L72-F78 HydrophobicContact CD2-CB 3.96Å; N75-F78 PolarHBondContact O-N 3.19Å; P76-F78 VanDerWaalsContact C-N 3.26Å; P76-F78 PolarHBondContact O-N 3.43Å; F78-T80 VanDerWaalsContact C-N 3.29Å; F78-T80 PolarHBondContact O-N 2.79Å; F78-L81 HydrophobicContact CB-CB 4.13Å; F78-L81 HydrophobicContact CD1-CB 3.98Å; F78-L81 HydrophobicContact CD1-CD2 3.9Å; F78-L81 HydrophobicContact CD2-CB 4.06Å; F78-L81 HydrophobicContact CE1-CD2 4.42Å; F78-L81 HydrophobicContact CG-CB 3.76Å; F78-L81 HydrophobicContact CG-CD2 4.42Å; F78-L81 WeakPolarHBondContact O-CB 3.39Å; F78-L81 PolarHBondContact O-N 3.4Å; F78-W82 PolarHBondContact O-N 3.04Å
79T93.2Very high91.7Very high72 Ų7242.1 Ų42.144%0.44223%0.227SC..Hα-helixtrans-53-41.3-175.7-470000113.7D77 L81 W82 N83 S130D77-T79 VanDerWaalsContact C-N 3.26Å; D77-T79 PolarHBondContact O-N 3.01Å; D77-T79 PolarHBondContact O-OG1 2.81Å; T79-L81 VanDerWaalsContact C-N 3.26Å; T79-L81 PolarHBondContact O-N 3.23Å; T79-W82 PolarHBondContact O-N 3.09Å; T79-N83 VanDerWaalsContact O-CG 3.26Å; T79-N83 PolarHBondContact O-N 3.08Å; T79-N83 PolarHBondContact O-ND2 3.08Å; T79-S130 PolarHBondContact OG1-OG 3.23Å
80T89.9Confident91.6Very high66 Ų6639.8 Ų39.841%0.40522%0.219SC..Hα-helixtrans-60.2-39.7179.3-60.20000111.3F36 F78 N83 H84F36-T80 HydrophobicContact CE1-CG2 3.91Å; F36-T80 HydrophobicContact CZ-CG2 3.71Å; F78-T80 VanDerWaalsContact C-N 3.29Å; F78-T80 PolarHBondContact O-N 2.79Å; T80-N83 WeakPolarHBondContact O-CB 3.24Å; T80-N83 PolarHBondContact O-N 2.8Å; T80-H84 PolarHBondContact O-CD2 2.96Å; T80-H84 PolarHBondContact O-N 3.3Å; T80-H84 VanDerWaalsContact O-N 3.09Å
81L91.5Very high91.4Very high0 Ų039.7 Ų39.70%021%0.208CC..Hα-helixtrans-72.3-40.8-178.3-170.356000111.9V35 F60 S68 I71 L72 F78 T79 N83 H84 R85V35-L81 HydrophobicContact CG1-CD1 3.78Å; F60-L81 HydrophobicContact CE2-CD1 4.06Å; F60-L81 HydrophobicContact CZ-CD1 4.23Å; S68-L81 VanDerWaalsContact CB-CD1 3.46Å; I71-L81 HydrophobicContact CB-CD2 3.76Å; I71-L81 HydrophobicContact CD1-CD2 4.15Å; I71-L81 HydrophobicContact CG2-CD2 3.55Å; L72-L81 HydrophobicContact CD1-CD2 4.47Å; L72-L81 HydrophobicContact CD1-CG 4.31Å; L72-L81 HydrophobicContact CD2-CB 4.17Å; L72-L81 HydrophobicContact CD2-CD2 4.05Å; L72-L81 HydrophobicContact CD2-CG 4.26Å; L72-L81 HydrophobicContact CG-CD2 3.87Å; L72-L81 HydrophobicContact CG-CG 4.19Å; F78-L81 HydrophobicContact CB-CB 4.13Å; F78-L81 HydrophobicContact CD1-CB 3.98Å; F78-L81 HydrophobicContact CD1-CD2 3.9Å; F78-L81 HydrophobicContact CD2-CB 4.06Å; F78-L81 HydrophobicContact CE1-CD2 4.42Å; F78-L81 HydrophobicContact CG-CB 3.76Å; F78-L81 HydrophobicContact CG-CD2 4.42Å; F78-L81 WeakPolarHBondContact O-CB 3.39Å; F78-L81 PolarHBondContact O-N 3.4Å; T79-L81 VanDerWaalsContact C-N 3.26Å; T79-L81 PolarHBondContact O-N 3.23Å; L81-N83 VanDerWaalsContact C-N 3.27Å; L81-N83 PolarHBondContact O-N 3.25Å; L81-H84 PolarHBondContact O-N 2.9Å; L81-R85 WeakPolarHBondContact O-CG 3.1Å; L81-R85 PolarHBondContact O-N 3.42Å
82W95.2Very high91.2Very high3 Ų341.9 Ų41.91%0.01122%0.22CC..Hα-helixtrans-56.2-42169.2-74.3115.2000112L72 P76 F78 T79 H84 R85 R86 L117 T118 C121 A131 H134L72-W82 HydrophobicContact CB-CH2 4.44Å; L72-W82 HydrophobicContact CB-CZ2 4.12Å; L72-W82 HydrophobicContact CD1-CD2 3.69Å; L72-W82 HydrophobicContact CD1-CE3 3.66Å; L72-W82 HydrophobicContact CD1-CG 4.36Å; L72-W82 HydrophobicContact CD1-CH2 3.91Å; L72-W82 HydrophobicContact CD1-CZ2 3.93Å; L72-W82 HydrophobicContact CD1-CZ3 3.76Å; L72-W82 HydrophobicContact CD2-CD2 4.02Å; L72-W82 HydrophobicContact CD2-CG 4.11Å; L72-W82 HydrophobicContact CD2-CZ2 4.13Å; L72-W82 HydrophobicContact CG-CD2 4.45Å; L72-W82 HydrophobicContact CG-CZ2 4.29Å; P76-W82 PolarHBondContact O-NE1 3.4Å; F78-W82 PolarHBondContact O-N 3.04Å; T79-W82 PolarHBondContact O-N 3.09Å; W82-H84 PolarHBondContact O-N 3.39Å; W82-R85 PolarHBondContact O-N 3.19Å; W82-R86 WeakPolarHBondContact O-CB 3.37Å; W82-R86 PolarHBondContact O-N 3.03Å; W82-L117 HydrophobicContact CH2-CD2 4.14Å; W82-L117 HydrophobicContact CH2-CG 4.07Å; W82-L117 HydrophobicContact CZ3-CD2 4.12Å; W82-L117 HydrophobicContact CZ3-CG 4.48Å; W82-T118 HydrophobicContact CH2-CG2 3.73Å; W82-T118 HydrophobicContact CZ3-CG2 4.04Å; W82-C121 HydrophobicContact CZ2-CB 4.42Å; W82-A131 HydrophobicContact CZ2-CB 4.28Å; W82-H134 HydrophobicContact CD2-CB 4.01Å; W82-H134 HydrophobicContact CE3-CB 3.69Å; W82-H134 AromaticContact CE3-CD2 3.36Å; W82-H134 AromaticContact CE3-CE1 3.78Å; W82-H134 AromaticContact CE3-CG 3.26Å; W82-H134 AromaticContact CE3-ND1 3.57Å; W82-H134 AromaticContact CE3-NE2 3.65Å; W82-H134 HydrophobicContact CZ3-CB 4.05Å; W82-H134 AromaticContact CZ3-CD2 3.17Å; W82-H134 WeakPolarHBondContact CZ3-CD2 3.46Å; W82-H134 AromaticContact CZ3-CG 3.58Å; W82-H134 AromaticContact CZ3-NE2 3.58Å
83N91.9Very high90.8Very high54 Ų5443.1 Ų43.129%0.28923%0.226SC..Hα-helixtrans-63.3-40.8177.5-69.4-19000112.4T79 T80 L81 R86 K87T79-N83 VanDerWaalsContact O-CG 3.26Å; T79-N83 PolarHBondContact O-N 3.08Å; T79-N83 PolarHBondContact O-ND2 3.08Å; T80-N83 WeakPolarHBondContact O-CB 3.24Å; T80-N83 PolarHBondContact O-N 2.8Å; L81-N83 VanDerWaalsContact C-N 3.27Å; L81-N83 PolarHBondContact O-N 3.25Å; N83-R86 PolarHBondContact O-N 3.39Å; N83-R86 VanDerWaalsContact OD1-CZ 3.29Å; N83-R86 PolarHBondContact OD1-NH1 2.86Å; N83-R86 VanDerWaalsContact OD1-NH1 3.1Å; N83-R86 PolarHBondContact OD1-NH2 3.02Å; N83-K87 WeakPolarHBondContact O-CG 3.48Å; N83-K87 PolarHBondContact O-N 2.86Å
84H89.3Confident90.3Very high32 Ų3246.7 Ų46.715%0.14824%0.242CC..Hα-helixtrans-66.1-45.1175.5-78.5-74.3000112.2F60 T80 L81 W82 R86 K87 Y88F60-H84 HydrophobicContact CD2-CB 3.73Å; F60-H84 HydrophobicContact CE1-CB 4.48Å; F60-H84 HydrophobicContact CE2-CB 3.56Å; F60-H84 HydrophobicContact CG-CB 4.27Å; F60-H84 HydrophobicContact CZ-CB 3.96Å; T80-H84 PolarHBondContact O-CD2 2.96Å; T80-H84 PolarHBondContact O-N 3.3Å; T80-H84 VanDerWaalsContact O-N 3.09Å; L81-H84 PolarHBondContact O-N 2.9Å; W82-H84 PolarHBondContact O-N 3.39Å; H84-R86 VanDerWaalsContact C-N 3.33Å; H84-R86 PolarHBondContact O-N 2.83Å; H84-K87 PolarHBondContact O-N 3.38Å; H84-Y88 PolarHBondContact O-N 2.83Å
85R93.4Very high89.8Confident9 Ų947.2 Ų47.23%0.03424%0.242CC..Hα-helixtrans-54.7-49.6172.6-70.3-173.272.184-2.9111.4F60 M65 S68 L72 L81 W82 K87 Y88 L89 E114F60-R85 HydrophobicContact CE1-CB 4.48Å; F60-R85 HydrophobicContact CE1-CG 4.03Å; F60-R85 HydrophobicContact CZ-CG 3.89Å; M65-R85 VanDerWaalsContact CE-CZ 3.5Å; M65-R85 PolarHBondContact O-NH1 3.28Å; M65-R85 HydrophobicContact SD-CB 4.1Å; M65-R85 HydrophobicContact SD-CG 3.88Å; S68-R85 PolarHBondContact OG-NH1 3.36Å; L72-R85 HydrophobicContact CD1-CG 4.39Å; L81-R85 WeakPolarHBondContact O-CG 3.1Å; L81-R85 PolarHBondContact O-N 3.42Å; W82-R85 PolarHBondContact O-N 3.19Å; R85-K87 PolarHBondContact O-N 3.25Å; R85-Y88 PolarHBondContact O-N 2.88Å; R85-L89 WeakPolarHBondContact O-CB 3.4Å; R85-L89 WeakPolarHBondContact O-CD1 3.44Å; R85-L89 VanDerWaalsContact O-CG 3.28Å; R85-L89 WeakPolarHBondContact O-CG 3.42Å; R85-L89 PolarHBondContact O-N 2.89Å; R85-E114 IonicContact CZ-OE1 2.64Å; R85-E114 IonicContact CZ-OE2 2.67Å; R85-E114 IonicContact NE-OE1 2.71Å; R85-E114 IonicContact NE-OE2 3.42Å; R85-E114 PolarHBondContact NE-OE2 3.19Å; R85-E114 VanDerWaalsContact NE-OE2 3.15Å; R85-E114 IonicContact NH2-OE1 2.71Å; R85-E114 PolarHBondContact NH2-OE1 2.93Å; R85-E114 IonicContact NH2-OE2 2.71Å
86R93.7Very high88.7Confident54 Ų5445.7 Ų45.720%0.20423%0.234CC..Hα-helixtrans-58.1-46.1179.1-176.4169.167.3-112.20.8112.2W82 N83 H84 Y88 L89 L90 W137W82-R86 WeakPolarHBondContact O-CB 3.37Å; W82-R86 PolarHBondContact O-N 3.03Å; N83-R86 PolarHBondContact O-N 3.39Å; N83-R86 VanDerWaalsContact OD1-CZ 3.29Å; N83-R86 PolarHBondContact OD1-NH1 2.86Å; N83-R86 VanDerWaalsContact OD1-NH1 3.1Å; N83-R86 PolarHBondContact OD1-NH2 3.02Å; H84-R86 VanDerWaalsContact C-N 3.33Å; H84-R86 PolarHBondContact O-N 2.83Å; R86-Y88 PolarHBondContact O-N 2.92Å; R86-L89 PolarHBondContact O-N 2.92Å; R86-L90 HydrophobicContact CG-CD1 4.1Å; R86-L90 HydrophobicContact CG-CG 4.44Å; R86-L90 WeakPolarHBondContact O-CB 3.15Å; R86-L90 VanDerWaalsContact O-CG 3.26Å; R86-L90 WeakPolarHBondContact O-CG 3.42Å; R86-L90 PolarHBondContact O-N 2.88Å; R86-W137 VanDerWaalsContact CD-CD1 3.44Å; R86-W137 HydrophobicContact CG-CD2 3.85Å; R86-W137 VanDerWaalsContact CG-CE2 3.47Å; R86-W137 HydrophobicContact CG-CE3 4.38Å; R86-W137 HydrophobicContact CG-CG 4.33Å; R86-W137 HydrophobicContact CG-CH2 4.29Å; R86-W137 HydrophobicContact CG-CZ2 3.73Å
87K90.1Very high87.3Confident114 Ų11451.2 Ų51.250%0.49626%0.263SS..Hα-helixtrans-61.4-43.3177.8-71.8176.7178.6-176.80112.2V57 N83 H84 R85 Q91V57-K87 HydrophobicContact CG2-CB 3.78Å; V57-K87 HydrophobicContact CG2-CD 4.03Å; V57-K87 HydrophobicContact CG2-CG 4.49Å; N83-K87 WeakPolarHBondContact O-CG 3.48Å; N83-K87 PolarHBondContact O-N 2.86Å; H84-K87 PolarHBondContact O-N 3.38Å; R85-K87 PolarHBondContact O-N 3.25Å; K87-Q91 WeakPolarHBondContact O-CG 3.18Å; K87-Q91 PolarHBondContact O-N 2.81Å
88Y89.2Confident85.6Confident42 Ų4257.4 Ų57.417%0.16528%0.281CS..Hα-helixtrans-64.8-46.5177.5179.1-105.1000112F60 A62 M65 H84 R85 R86 L90 Q91 L92F60-Y88 HydrophobicContact CD1-CD1 4.44Å; F60-Y88 HydrophobicContact CD1-CD2 4.46Å; F60-Y88 AromaticContact CD1-CG 3.94Å; F60-Y88 HydrophobicContact CD1-CG 3.94Å; F60-Y88 WeakPolarHBondContact O-CD2 3.45Å; F60-Y88 WeakPolarHBondContact O-CE2 3.13Å; A62-Y88 PolarHBondContact N-OH 2.91Å; M65-Y88 HydrophobicContact CE-CD1 4.3Å; M65-Y88 HydrophobicContact CG-CD1 3.46Å; M65-Y88 VanDerWaalsContact CG-CD1 3.46Å; M65-Y88 HydrophobicContact CG-CE1 3.53Å; M65-Y88 HydrophobicContact CG-CG 4.45Å; M65-Y88 HydrophobicContact SD-CD1 3.71Å; M65-Y88 HydrophobicContact SD-CE1 4.35Å; H84-Y88 PolarHBondContact O-N 2.83Å; R85-Y88 PolarHBondContact O-N 2.88Å; R86-Y88 PolarHBondContact O-N 2.92Å; Y88-L90 PolarHBondContact O-N 3.3Å; Y88-Q91 WeakPolarHBondContact O-CB 3.43Å; Y88-Q91 PolarHBondContact O-N 3.17Å; Y88-Q91 VanDerWaalsContact O-N 3.12Å; Y88-L92 HydrophobicContact CD1-CD1 4.05Å; Y88-L92 HydrophobicContact CE1-CD1 3.49Å; Y88-L92 VanDerWaalsContact CE1-CD1 3.49Å; Y88-L92 HydrophobicContact CE1-CG 4.13Å; Y88-L92 PolarHBondContact O-N 2.83Å; Y88-L92 VanDerWaalsContact O-N 3.14Å
89L91.8Very high83.8Confident3 Ų361.3 Ų61.32%0.01630%0.304CS..Hα-helixtrans-62-40.6177.5-71.5163.4000112.6M65 R85 R86 Q91 L92 L93 L110 E114 W137M65-L89 HydrophobicContact CE-CD1 4.05Å; M65-L89 HydrophobicContact CE-CD2 3.63Å; M65-L89 HydrophobicContact CE-CG 3.76Å; R85-L89 WeakPolarHBondContact O-CB 3.4Å; R85-L89 WeakPolarHBondContact O-CD1 3.44Å; R85-L89 VanDerWaalsContact O-CG 3.28Å; R85-L89 WeakPolarHBondContact O-CG 3.42Å; R85-L89 PolarHBondContact O-N 2.89Å; R86-L89 PolarHBondContact O-N 2.92Å; L89-Q91 PolarHBondContact O-N 2.97Å; L89-L92 PolarHBondContact O-N 2.99Å; L89-L92 VanDerWaalsContact O-N 3.17Å; L89-L93 VanDerWaalsContact O-CG 3.29Å; L89-L93 WeakPolarHBondContact O-CG 3.42Å; L89-L93 PolarHBondContact O-N 3.38Å; L89-L110 HydrophobicContact CD2-CB 4.45Å; L89-E114 HydrophobicContact CD1-CG 3.55Å; L89-E114 HydrophobicContact CD2-CG 4.44Å; L89-W137 HydrophobicContact CB-CH2 3.72Å; L89-W137 HydrophobicContact CB-CZ2 4.47Å; L89-W137 HydrophobicContact CD1-CH2 3.76Å; L89-W137 HydrophobicContact CD1-CZ3 3.82Å; L89-W137 HydrophobicContact CG-CH2 4.41Å
90L91Very high81.8Confident61 Ų6167 Ų6732%0.31933%0.325SS..Hα-helixtrans-59.7-35.9175.1-75.2170.4000111.9R86 Y88 L94 W137R86-L90 HydrophobicContact CG-CD1 4.1Å; R86-L90 HydrophobicContact CG-CG 4.44Å; R86-L90 WeakPolarHBondContact O-CB 3.15Å; R86-L90 VanDerWaalsContact O-CG 3.26Å; R86-L90 WeakPolarHBondContact O-CG 3.42Å; R86-L90 PolarHBondContact O-N 2.88Å; Y88-L90 PolarHBondContact O-N 3.3Å; L90-L94 WeakPolarHBondContact O-CB 3.3Å; L90-L94 VanDerWaalsContact O-CG 3.23Å; L90-L94 WeakPolarHBondContact O-CG 3.32Å; L90-L94 PolarHBondContact O-N 3.11Å; L90-W137 HydrophobicContact CD2-CZ2 3.92Å; L90-W137 HydrophobicContact CG-CZ2 3.96Å
91Q85Confident80.1Confident57 Ų5770.3 Ų70.327%0.26635%0.346SS..Hα-helixtrans-66.4-44.3175-69.3179.3-19.100111.5A55 K87 Y88 L89 L93 L94 T95A55-Q91 PolarHBondContact O-NE2 3Å; K87-Q91 WeakPolarHBondContact O-CG 3.18Å; K87-Q91 PolarHBondContact O-N 2.81Å; Y88-Q91 WeakPolarHBondContact O-CB 3.43Å; Y88-Q91 PolarHBondContact O-N 3.17Å; Y88-Q91 VanDerWaalsContact O-N 3.12Å; L89-Q91 PolarHBondContact O-N 2.97Å; Q91-L93 PolarHBondContact O-N 3.11Å; Q91-L94 PolarHBondContact O-N 3.25Å; Q91-T95 PolarHBondContact O-N 3.26Å; Q91-T95 VanDerWaalsContact O-N 3.08Å; Q91-T95 PolarHBondContact O-OG1 2.84Å
92L86.5Confident78.3Confident52 Ų5275.4 Ų75.427%0.27237%0.373SS..Hα-helixtrans-62-42.7176.7-65.2-177.6000112.3Y88 L89 L94 T95 D96 L110Y88-L92 HydrophobicContact CD1-CD1 4.05Å; Y88-L92 HydrophobicContact CE1-CD1 3.49Å; Y88-L92 VanDerWaalsContact CE1-CD1 3.49Å; Y88-L92 HydrophobicContact CE1-CG 4.13Å; Y88-L92 PolarHBondContact O-N 2.83Å; Y88-L92 VanDerWaalsContact O-N 3.14Å; L89-L92 PolarHBondContact O-N 2.99Å; L89-L92 VanDerWaalsContact O-N 3.17Å; L92-L94 PolarHBondContact O-N 3.05Å; L92-T95 WeakPolarHBondContact CA-OG1 3.08Å; L92-T95 PolarHBondContact O-N 3.33Å; L92-T95 PolarHBondContact O-OG1 2.85Å; L92-D96 WeakPolarHBondContact O-CB 3.2Å; L92-D96 PolarHBondContact O-N 3.07Å; L92-L110 HydrophobicContact CB-CD1 3.96Å; L92-L110 HydrophobicContact CD1-CD1 4.1Å; L92-L110 HydrophobicContact CD1-CD2 4.49Å
93L85.8Confident76.3Confident27 Ų2776.6 Ų76.614%0.14138%0.381CS..Hα-helixtrans-64.1-39.6177.8-67.9170.4000111.8L89 Q91 T95 D96 D97 L111L89-L93 VanDerWaalsContact O-CG 3.29Å; L89-L93 WeakPolarHBondContact O-CG 3.42Å; L89-L93 PolarHBondContact O-N 3.38Å; Q91-L93 PolarHBondContact O-N 3.11Å; L93-T95 VanDerWaalsContact C-N 3.32Å; L93-T95 PolarHBondContact O-N 3Å; L93-D96 PolarHBondContact O-N 3.27Å; L93-D97 PolarHBondContact O-N 3.47Å; L93-L111 HydrophobicContact CD1-CD2 4.12Å; L93-L111 HydrophobicContact CD2-CG 4.45Å
94L82.8Confident74.7Confident113 Ų11375.3 Ų75.359%0.59238%0.381SS*.Hα-helixtrans-67.8-29.3175.9-73.9170.5000113.6L90 Q91 L92L90-L94 WeakPolarHBondContact O-CB 3.3Å; L90-L94 VanDerWaalsContact O-CG 3.23Å; L90-L94 WeakPolarHBondContact O-CG 3.32Å; L90-L94 PolarHBondContact O-N 3.11Å; Q91-L94 PolarHBondContact O-N 3.25Å; L92-L94 PolarHBondContact O-N 3.05Å
95T75.8Confident73.7Confident79 Ų7979.2 Ų79.249%0.48540%0.398SS..Hα-helixtrans-78.6-34.2174.6490000112.2Q91 L92 L93 R98Q91-T95 PolarHBondContact O-N 3.26Å; Q91-T95 VanDerWaalsContact O-N 3.08Å; Q91-T95 PolarHBondContact O-OG1 2.84Å; L92-T95 WeakPolarHBondContact CA-OG1 3.08Å; L92-T95 PolarHBondContact O-N 3.33Å; L92-T95 PolarHBondContact O-OG1 2.85Å; L93-T95 VanDerWaalsContact C-N 3.32Å; L93-T95 PolarHBondContact O-N 3Å; T95-R98 PolarHBondContact O-N 3.31Å
96D68.4Low73.1Confident22 Ų2281.9 Ų81.912%0.11842%0.417CS..Hα-helixtrans-64-41.3-179.8-160.444.6000111.5L92 L93 R98 D99 S103 C106 G107L92-D96 WeakPolarHBondContact O-CB 3.2Å; L92-D96 PolarHBondContact O-N 3.07Å; L93-D96 PolarHBondContact O-N 3.27Å; D96-R98 PolarHBondContact O-N 2.8Å; D96-D99 PolarHBondContact O-N 3.2Å; D96-S103 VanDerWaalsContact CG-O 3.32Å; D96-S103 WeakPolarHBondContact O-CB 3.38Å; D96-S103 PolarHBondContact O-OG 2.97Å; D96-S103 WeakPolarHBondContact OD1-CB 3.26Å; D96-C106 VanDerWaalsContact OD1-CB 3.31Å; D96-C106 WeakPolarHBondContact OD1-CB 3.26Å; D96-G107 VanDerWaalsContact OD2-CA 3.3Å; D96-G107 WeakPolarHBondContact OD2-CA 3.32Å; D96-G107 PolarHBondContact OD2-N 2.91Å
97D63.1Low72.8Confident120 Ų12079.6 Ų79.664%0.64241%0.41SS*.THydrogen-bonded Turntrans-61.2-11.6177-77.4-18.8000114.6L93L93-D97 PolarHBondContact O-N 3.47Å
98R58.3Low72.7Confident196 Ų19678.9 Ų78.974%0.7441%0.405SS*.THydrogen-bonded Turntrans-89.7-18.1-178.2-62.5-176.7-175.6-169.2-1.7114.5T95 D96T95-R98 PolarHBondContact O-N 3.31Å; D96-R98 PolarHBondContact O-N 2.8Å
99D54.6Low72.8Confident111 Ų11183.5 Ų83.559%0.59443%0.425SS*.  trans-99.7102-177.2-74.3-27.1000110.1D96 T101 S103D96-D99 PolarHBondContact O-N 3.2Å; D99-T101 VanDerWaalsContact C-N 3.26Å; D99-T101 PolarHBondContact O-N 3.19Å; D99-T101 VanDerWaalsContact O-N 3.07Å; D99-S103 WeakPolarHBondContact O-CB 3.47Å; D99-S103 PolarHBondContact O-OG 2.88Å
100E50.7Low72.8Confident192 Ų19285.6 Ų85.690%0.89744%0.437SS*.THydrogen-bonded Turntrans-69.4-2.9-167.1-69-172.8161.200116.5
101T54.6Low73Confident136 Ų13683.1 Ų83.183%0.83442%0.424SS*.THydrogen-bonded Turntrans-106-22.5-163.456.50000117.1D99D99-T101 VanDerWaalsContact C-N 3.26Å; D99-T101 PolarHBondContact O-N 3.19Å; D99-T101 VanDerWaalsContact O-N 3.07Å
102D53.2Low73.5Confident107 Ų10783.6 Ų83.657%0.57243%0.426SS*.THydrogen-bonded Turntrans-165.717.7174.5-131.1-8.6000113.8K105D102-K105 WeakPolarHBondContact OD1-CE 3.32Å; D102-K105 IonicContact OD1-NZ 3.04Å; D102-K105 PolarHBondContact OD1-NZ 3.31Å; D102-K105 IonicContact OD2-NZ 3.72Å; D102-K105 PolarHBondContact OD2-NZ 2.74Å
103S52.2Low74Confident27 Ų2783 Ų8319%0.18943%0.428CS..THydrogen-bonded Turntrans-68.7-43.4-166.451.10000114.9D96 D99 K105 C106D96-S103 VanDerWaalsContact CG-O 3.32Å; D96-S103 WeakPolarHBondContact O-CB 3.38Å; D96-S103 PolarHBondContact O-OG 2.97Å; D96-S103 WeakPolarHBondContact OD1-CB 3.26Å; D99-S103 WeakPolarHBondContact O-CB 3.47Å; D99-S103 PolarHBondContact O-OG 2.88Å; S103-K105 PolarHBondContact O-N 3.07Å; S103-C106 WeakPolarHBondContact O-CB 3.38Å; S103-C106 PolarHBondContact O-N 3.1Å
104G58.7Low74.5Confident28 Ų2882 Ų8229%0.28942%0.423SS..Hα-helixtrans-55.3-17.7-175.600000115.9R108G104-R108 WeakPolarHBondContact O-CB 3.16Å; G104-R108 PolarHBondContact O-N 2.9Å
105K69Low75.2Confident113 Ų11377.6 Ų77.649%0.49140%0.4SS..Hα-helixtrans-71.3-33.2170.9-70.3172.4-176.8154.10113.1D102 S103 K109D102-K105 WeakPolarHBondContact OD1-CE 3.32Å; D102-K105 IonicContact OD1-NZ 3.04Å; D102-K105 PolarHBondContact OD1-NZ 3.31Å; D102-K105 IonicContact OD2-NZ 3.72Å; D102-K105 PolarHBondContact OD2-NZ 2.74Å; S103-K105 PolarHBondContact O-N 3.07Å; K105-K109 VanDerWaalsContact O-CG 3.25Å; K105-K109 WeakPolarHBondContact O-CG 3.36Å; K105-K109 PolarHBondContact O-N 2.75Å; K105-K109 VanDerWaalsContact O-N 3.15Å
106C80.8Confident76.2Confident65 Ų6580.6 Ų80.644%0.43940%0.402SS..Hα-helixtrans-72.1-52.2-177.8-166.70000110.7D96 S103 R108 K109 L110D96-C106 VanDerWaalsContact OD1-CB 3.31Å; D96-C106 WeakPolarHBondContact OD1-CB 3.26Å; S103-C106 WeakPolarHBondContact O-CB 3.38Å; S103-C106 PolarHBondContact O-N 3.1Å; C106-R108 VanDerWaalsContact C-N 3.32Å; C106-R108 PolarHBondContact O-N 2.87Å; C106-K109 WeakPolarHBondContact O-CB 3.44Å; C106-K109 PolarHBondContact O-N 3.48Å; C106-K109 VanDerWaalsContact O-N 3.11Å; C106-L110 WeakPolarHBondContact O-CG 3.49Å; C106-L110 PolarHBondContact O-N 2.63Å
107G86.5Confident77.6Confident6 Ų679.9 Ų79.96%0.06240%0.398CS..Hα-helixtrans-56.8-42.6174.800000112.8D96 K109 L110 L111D96-G107 VanDerWaalsContact OD2-CA 3.3Å; D96-G107 WeakPolarHBondContact OD2-CA 3.32Å; D96-G107 PolarHBondContact OD2-N 2.91Å; G107-K109 PolarHBondContact O-N 2.9Å; G107-L110 WeakPolarHBondContact O-CB 3.38Å; G107-L110 PolarHBondContact O-N 2.97Å; G107-L111 WeakPolarHBondContact O-CG 3.42Å; G107-L111 PolarHBondContact O-N 3.43Å
108R88.8Confident79.3Confident99 Ų9974.1 Ų74.137%0.37437%0.368SS..Hα-helixtrans-58-49173.2-174.7-177.6-62.5164.41.2112.1G104 C106 L110 L111 E112 M142G104-R108 WeakPolarHBondContact O-CB 3.16Å; G104-R108 PolarHBondContact O-N 2.9Å; C106-R108 VanDerWaalsContact C-N 3.32Å; C106-R108 PolarHBondContact O-N 2.87Å; R108-L110 VanDerWaalsContact C-N 3.3Å; R108-L110 PolarHBondContact O-N 3.03Å; R108-L111 PolarHBondContact O-N 3.44Å; R108-E112 HydrophobicContact CG-CG 4.4Å; R108-E112 WeakPolarHBondContact CG-OE1 3.46Å; R108-E112 WeakPolarHBondContact O-CB 3.46Å; R108-E112 WeakPolarHBondContact O-CG 3.48Å; R108-E112 PolarHBondContact O-N 3.5Å; R108-M142 HydrophobicContact CG-CE 4.2Å
109K91.1Very high81.1Confident139 Ų13968.9 Ų68.960%0.60435%0.351SS*.Hα-helixtrans-61.7-36.6178.4-76173-178.4179.60112.7K105 C106 G107 A113K105-K109 VanDerWaalsContact O-CG 3.25Å; K105-K109 WeakPolarHBondContact O-CG 3.36Å; K105-K109 PolarHBondContact O-N 2.75Å; K105-K109 VanDerWaalsContact O-N 3.15Å; C106-K109 WeakPolarHBondContact O-CB 3.44Å; C106-K109 PolarHBondContact O-N 3.48Å; C106-K109 VanDerWaalsContact O-N 3.11Å; G107-K109 PolarHBondContact O-N 2.9Å; K109-A113 WeakPolarHBondContact O-CB 3.46Å; K109-A113 PolarHBondContact O-N 2.85Å
110L92.7Very high83.1Confident48 Ų4865.9 Ų65.925%0.25134%0.342SS..Hα-helixtrans-63.1-48.5175.5-69.6174.4000111L89 L92 C106 G107 R108 A113 E114L89-L110 HydrophobicContact CD2-CB 4.45Å; L92-L110 HydrophobicContact CB-CD1 3.96Å; L92-L110 HydrophobicContact CD1-CD1 4.1Å; L92-L110 HydrophobicContact CD1-CD2 4.49Å; C106-L110 WeakPolarHBondContact O-CG 3.49Å; C106-L110 PolarHBondContact O-N 2.63Å; G107-L110 WeakPolarHBondContact O-CB 3.38Å; G107-L110 PolarHBondContact O-N 2.97Å; R108-L110 VanDerWaalsContact C-N 3.3Å; R108-L110 PolarHBondContact O-N 3.03Å; L110-A113 WeakPolarHBondContact O-CB 3.27Å; L110-A113 PolarHBondContact O-N 3.12Å; L110-E114 PolarHBondContact O-N 3.45Å; L110-E114 VanDerWaalsContact O-N 3.16Å
111L95.3Very high85.3Confident8 Ų856.8 Ų56.84%0.04230%0.3CS..Hα-helixtrans-64.8-43.7178.4-66.7173.6000111.9L93 G107 R108 A113 E114 L115 W137 A138 R141 M142L93-L111 HydrophobicContact CD1-CD2 4.12Å; L93-L111 HydrophobicContact CD2-CG 4.45Å; G107-L111 WeakPolarHBondContact O-CG 3.42Å; G107-L111 PolarHBondContact O-N 3.43Å; R108-L111 PolarHBondContact O-N 3.44Å; L111-A113 VanDerWaalsContact C-N 3.27Å; L111-A113 PolarHBondContact O-N 3.49Å; L111-E114 PolarHBondContact O-N 3.44Å; L111-E114 VanDerWaalsContact O-N 3.08Å; L111-L115 WeakPolarHBondContact O-CG 3.42Å; L111-L115 PolarHBondContact O-N 3.22Å; L111-W137 HydrophobicContact CD2-CH2 4.43Å; L111-A138 HydrophobicContact CD2-CB 4.26Å; L111-R141 HydrophobicContact CD1-CB 3.92Å; L111-R141 HydrophobicContact CD2-CB 4.3Å; L111-M142 HydrophobicContact CB-SD 3.45Å; L111-M142 WeakPolarHBondContact CB-SD 3.36Å; L111-M142 HydrophobicContact CD1-CG 4.47Å; L111-M142 HydrophobicContact CD1-SD 3.84Å; L111-M142 HydrophobicContact CG-SD 4.3Å
112E95.5Very high87.3Confident68 Ų6850.9 Ų50.932%0.31826%0.263SS..Hα-helixtrans-59.3-36.5174.3-73.7173.1-171.300112.6R108 E114 L115 R116 M142R108-E112 HydrophobicContact CG-CG 4.4Å; R108-E112 WeakPolarHBondContact CG-OE1 3.46Å; R108-E112 WeakPolarHBondContact O-CB 3.46Å; R108-E112 WeakPolarHBondContact O-CG 3.48Å; R108-E112 PolarHBondContact O-N 3.5Å; E112-E114 VanDerWaalsContact C-N 3.34Å; E112-L115 PolarHBondContact O-N 3.04Å; E112-R116 WeakPolarHBondContact O-CG 3.04Å; E112-R116 PolarHBondContact O-N 3.31Å; E112-R116 IonicContact OE2-NH1 3.31Å; E112-M142 HydrophobicContact CG-CE 3.93Å
113A95.4Very high89.2Confident39 Ų3952.8 Ų52.832%0.32227%0.272SS..Hα-helixtrans-66-37175.200000112K109 L110 L111 R116 L117K109-A113 WeakPolarHBondContact O-CB 3.46Å; K109-A113 PolarHBondContact O-N 2.85Å; L110-A113 WeakPolarHBondContact O-CB 3.27Å; L110-A113 PolarHBondContact O-N 3.12Å; L111-A113 VanDerWaalsContact C-N 3.27Å; L111-A113 PolarHBondContact O-N 3.49Å; A113-R116 PolarHBondContact O-N 2.9Å; A113-L117 WeakPolarHBondContact O-CB 3.36Å; A113-L117 PolarHBondContact O-N 3.17Å
114E97.1Very high91.1Very high6 Ų657.5 Ų57.53%0.02829%0.289CS..Hα-helixtrans-71-35.2174.2-64.8-57.5107.700112.5R85 L89 L110 L111 E112 L117 T118 H134 A138R85-E114 IonicContact CZ-OE1 2.64Å; R85-E114 IonicContact CZ-OE2 2.67Å; R85-E114 IonicContact NE-OE1 2.71Å; R85-E114 IonicContact NE-OE2 3.42Å; R85-E114 PolarHBondContact NE-OE2 3.19Å; R85-E114 VanDerWaalsContact NE-OE2 3.15Å; R85-E114 IonicContact NH2-OE1 2.71Å; R85-E114 PolarHBondContact NH2-OE1 2.93Å; R85-E114 IonicContact NH2-OE2 2.71Å; L89-E114 HydrophobicContact CD1-CG 3.55Å; L89-E114 HydrophobicContact CD2-CG 4.44Å; L110-E114 PolarHBondContact O-N 3.45Å; L110-E114 VanDerWaalsContact O-N 3.16Å; L111-E114 PolarHBondContact O-N 3.44Å; L111-E114 VanDerWaalsContact O-N 3.08Å; E112-E114 VanDerWaalsContact C-N 3.34Å; E114-L117 PolarHBondContact O-N 2.86Å; E114-T118 WeakPolarHBondContact O-CB 3.36Å; E114-T118 WeakPolarHBondContact O-CG2 3.49Å; E114-T118 PolarHBondContact O-N 2.79Å; E114-T118 PolarHBondContact O-OG1 2.91Å; E114-H134 IonicContact OE2-CD2 3.4Å; E114-H134 IonicContact OE2-CE1 3.68Å; E114-H134 IonicContact OE2-NE2 2.76Å; E114-H134 PolarHBondContact OE2-NE2 3.17Å; E114-A138 HydrophobicContact CB-CB 4.13Å
115L97.7Very high92.8Very high20 Ų2058.2 Ų58.211%0.10529%0.287CS..Hα-helixtrans-62-44.3172.1-66.1177.2000111.2L111 E112 L117 T118 E119 R135 A138 F139L111-L115 WeakPolarHBondContact O-CG 3.42Å; L111-L115 PolarHBondContact O-N 3.22Å; E112-L115 PolarHBondContact O-N 3.04Å; L115-L117 PolarHBondContact O-N 2.9Å; L115-T118 WeakPolarHBondContact CA-OG1 3.45Å; L115-T118 PolarHBondContact O-N 3Å; L115-T118 PolarHBondContact O-OG1 2.76Å; L115-E119 WeakPolarHBondContact O-CB 3.07Å; L115-E119 PolarHBondContact O-N 3.5Å; L115-R135 HydrophobicContact CD2-CG 3.85Å; L115-R135 PolarHBondContact O-NH1 3.37Å; L115-A138 HydrophobicContact CD2-CB 4.05Å; L115-A138 HydrophobicContact CG-CB 4.47Å; L115-F139 HydrophobicContact CD1-CD2 3.97Å; L115-F139 HydrophobicContact CD2-CB 3.95Å; L115-F139 HydrophobicContact CD2-CD2 4.12Å
116R97.1Very high94.1Very high143 Ų14355.5 Ų55.554%0.5428%0.281SS..Hα-helixtrans-63.2-39.3173.7-72.1-174.3-67.1-89.8-0.4112.8E112 A113 A120E112-R116 WeakPolarHBondContact O-CG 3.04Å; E112-R116 PolarHBondContact O-N 3.31Å; E112-R116 IonicContact OE2-NH1 3.31Å; A113-R116 PolarHBondContact O-N 2.9Å; R116-A120 PolarHBondContact O-N 2.9Å; R116-A120 VanDerWaalsContact O-N 3.09Å
117L97.7Very high94.8Very high6 Ų657.1 Ų57.13%0.03128%0.28CS..Hα-helixtrans-64.9-47.8177.217555.2000111.3K69 S73 W82 A113 E114 L115 E119 A120 C121K69-L117 HydrophobicContact CB-CD2 4.41Å; K69-L117 HydrophobicContact CG-CD1 3.6Å; K69-L117 HydrophobicContact CG-CD2 4.12Å; K69-L117 HydrophobicContact CG-CG 4.42Å; S73-L117 WeakPolarHBondContact OG-CD1 3.39Å; W82-L117 HydrophobicContact CH2-CD2 4.14Å; W82-L117 HydrophobicContact CH2-CG 4.07Å; W82-L117 HydrophobicContact CZ3-CD2 4.12Å; W82-L117 HydrophobicContact CZ3-CG 4.48Å; A113-L117 WeakPolarHBondContact O-CB 3.36Å; A113-L117 PolarHBondContact O-N 3.17Å; E114-L117 PolarHBondContact O-N 2.86Å; L115-L117 PolarHBondContact O-N 2.9Å; L117-E119 VanDerWaalsContact C-N 3.34Å; L117-A120 PolarHBondContact O-N 2.98Å; L117-C121 WeakPolarHBondContact O-CB 3.46Å; L117-C121 PolarHBondContact O-N 2.94Å; L117-C121 PolarHBondContact O-SG 2.76Å
118T98Very high95.2Very high0 Ų056.9 Ų56.90%028%0.277CS..Hα-helixtrans-64.4-39.9-179.851.70000111.5W82 E114 L115 C121 L122 H134 R135W82-T118 HydrophobicContact CH2-CG2 3.73Å; W82-T118 HydrophobicContact CZ3-CG2 4.04Å; E114-T118 WeakPolarHBondContact O-CB 3.36Å; E114-T118 WeakPolarHBondContact O-CG2 3.49Å; E114-T118 PolarHBondContact O-N 2.79Å; E114-T118 PolarHBondContact O-OG1 2.91Å; L115-T118 WeakPolarHBondContact CA-OG1 3.45Å; L115-T118 PolarHBondContact O-N 3Å; L115-T118 PolarHBondContact O-OG1 2.76Å; T118-C121 WeakPolarHBondContact O-CB 3.18Å; T118-C121 PolarHBondContact O-N 3.16Å; T118-L122 WeakPolarHBondContact O-CB 3.34Å; T118-L122 WeakPolarHBondContact O-CG 3.46Å; T118-L122 PolarHBondContact O-N 2.92Å; T118-H134 HydrophobicContact CG2-CB 4.23Å; T118-R135 HydrophobicContact CG2-CB 4.03Å; T118-R135 WeakPolarHBondContact OG1-CG 3.38Å; T118-R135 PolarHBondContact OG1-NH1 3.4Å
119E97Very high95.6Very high85 Ų8559 Ų5940%0.39729%0.287SS..Hα-helixtrans-57.3-50.9172.3-175.5176.3-175.600111.9L115 L117 C121 L122 L123 L153L115-E119 WeakPolarHBondContact O-CB 3.07Å; L115-E119 PolarHBondContact O-N 3.5Å; L117-E119 VanDerWaalsContact C-N 3.34Å; E119-C121 VanDerWaalsContact C-N 3.26Å; E119-C121 PolarHBondContact O-N 3.2Å; E119-L122 PolarHBondContact O-N 2.88Å; E119-L122 VanDerWaalsContact O-N 3.12Å; E119-L123 WeakPolarHBondContact O-CG 3.47Å; E119-L123 PolarHBondContact O-N 3.23Å; E119-L153 HydrophobicContact CG-CD1 3.97Å
120A96.2Very high95.8Very high49 Ų4953 Ų5341%0.40526%0.262SS..Hα-helixtrans-60.5-35.4176.300000112.8R116 L117R116-A120 PolarHBondContact O-N 2.9Å; R116-A120 VanDerWaalsContact O-N 3.09Å; L117-A120 PolarHBondContact O-N 2.98Å
121C97.5Very high96.1Very high0 Ų050.7 Ų50.70%025%0.25CC..Hα-helixtrans-68.1-42.2174.7-680000111.8L72 P76 W82 L117 T118 E119 K124 N125 A131L72-C121 VanDerWaalsContact C-SG 3.59Å; P76-C121 HydrophobicContact CB-CB 3.98Å; P76-C121 HydrophobicContact CG-CB 3.82Å; P76-C121 WeakPolarHBondContact CG-O 3.42Å; W82-C121 HydrophobicContact CZ2-CB 4.42Å; L117-C121 WeakPolarHBondContact O-CB 3.46Å; L117-C121 PolarHBondContact O-N 2.94Å; L117-C121 PolarHBondContact O-SG 2.76Å; T118-C121 WeakPolarHBondContact O-CB 3.18Å; T118-C121 PolarHBondContact O-N 3.16Å; E119-C121 VanDerWaalsContact C-N 3.26Å; E119-C121 PolarHBondContact O-N 3.2Å; C121-K124 WeakPolarHBondContact O-CB 3.29Å; C121-K124 PolarHBondContact O-N 2.98Å; C121-K124 VanDerWaalsContact O-N 3.12Å; C121-N125 PolarHBondContact O-N 2.79Å; C121-A131 HydrophobicContact CB-CB 4.34Å
122L96.6Very high96.2Very high13 Ų1350.9 Ų50.97%0.06825%0.25CC..Hα-helixtrans-70.1-35-179.2-72.3169.7000112.2T118 E119 K124 N125 P126 A131 W132T118-L122 WeakPolarHBondContact O-CB 3.34Å; T118-L122 WeakPolarHBondContact O-CG 3.46Å; T118-L122 PolarHBondContact O-N 2.92Å; E119-L122 PolarHBondContact O-N 2.88Å; E119-L122 VanDerWaalsContact O-N 3.12Å; L122-K124 PolarHBondContact O-N 2.93Å; L122-N125 CarbonylContact O-C 3.6Å; L122-N125 PolarHBondContact O-N 3.03Å; L122-P126 WeakPolarHBondContact O-CA 3.19Å; L122-P126 VanDerWaalsContact O-CD 3.31Å; L122-P126 WeakPolarHBondContact O-CD 3.24Å; L122-A131 HydrophobicContact CD2-CB 3.74Å; L122-A131 HydrophobicContact CG-CB 4.03Å; L122-W132 HydrophobicContact CD1-CD2 3.84Å; L122-W132 HydrophobicContact CD1-CE3 3.7Å; L122-W132 HydrophobicContact CD1-CH2 3.9Å; L122-W132 HydrophobicContact CD1-CZ2 4.01Å; L122-W132 HydrophobicContact CD1-CZ3 3.73Å; L122-W132 HydrophobicContact CD2-CD2 3.75Å; L122-W132 VanDerWaalsContact CD2-CE2 3.48Å; L122-W132 HydrophobicContact CD2-CE3 4.48Å; L122-W132 HydrophobicContact CD2-CG 3.88Å; L122-W132 HydrophobicContact CD2-CZ2 4.02Å; L122-W132 HydrophobicContact CG-CD2 4.47Å
123L93.5Very high96.3Very high146 Ų14652.7 Ų52.776%0.76426%0.258SS*.Hα-helixtrans-59.3-28.9169.8-73173.3000112.3E119E119-L123 WeakPolarHBondContact O-CG 3.47Å; E119-L123 PolarHBondContact O-N 3.23Å
124K91.5Very high96.4Very high126 Ų12650.9 Ų50.955%0.54824%0.243SC..Hα-helixtrans-86.4-42.1176.9-167.9177.1-171.1-175.10113.2S73 S74 C121 L122S73-K124 WeakPolarHBondContact O-CD 3.39Å; S74-K124 VanDerWaalsContact CA-NZ 3.26Å; S74-K124 PolarHBondContact O-NZ 3.1Å; C121-K124 WeakPolarHBondContact O-CB 3.29Å; C121-K124 PolarHBondContact O-N 2.98Å; C121-K124 VanDerWaalsContact O-N 3.12Å; L122-K124 PolarHBondContact O-N 2.93Å
125N94.1Very high96.5Very high44 Ų4451 Ų5124%0.23524%0.243CC..  trans-13893.9173.7-175.911000110.2P76 D77 C121 L122 K127 S128P76-N125 HydrophobicContact CB-CB 4.43Å; P76-N125 HydrophobicContact CG-CB 3.97Å; D77-N125 PolarHBondContact OD2-ND2 3.15Å; C121-N125 PolarHBondContact O-N 2.79Å; L122-N125 CarbonylContact O-C 3.6Å; L122-N125 PolarHBondContact O-N 3.03Å; N125-K127 PolarHBondContact O-N 2.68Å; N125-K127 PolarHBondContact OD1-N 2.97Å; N125-K127 VanDerWaalsContact OD1-N 3.15Å; N125-S128 PolarHBondContact O-N 3.21Å
126P95.5Very high96.5Very high56 Ų5653 Ų5336%0.36425%0.25SC..THydrogen-bonded Turntrans-71.5-9.2-178.627.4-34.6000112.9L122 W132 N164L122-P126 WeakPolarHBondContact O-CA 3.19Å; L122-P126 VanDerWaalsContact O-CD 3.31Å; L122-P126 WeakPolarHBondContact O-CD 3.24Å; P126-W132 PolarHBondContact O-NE1 3.04Å; P126-N164 PolarHBondContact O-ND2 3.37Å
127K95.5Very high96.6Very high99 Ų9946.8 Ų46.843%0.4323%0.226SC..THydrogen-bonded Turntrans-10539.1179.6-61.8-171.6178.5-178.10112.2N125 D161N125-K127 PolarHBondContact O-N 2.68Å; N125-K127 PolarHBondContact OD1-N 2.97Å; N125-K127 VanDerWaalsContact OD1-N 3.15Å; K127-D161 WeakPolarHBondContact CE-OD2 3.19Å; K127-D161 IonicContact NZ-OD2 3.93Å; K127-D161 PolarHBondContact NZ-OD2 3.43Å
128S96.2Very high96.6Very high0 Ų046.5 Ų46.50%023%0.225CC..  trans-103.5111.1178.7-177.70000112P76 D77 N125 S130 A131 W132P76-S128 PolarHBondContact O-OG 3.27Å; D77-S128 VanDerWaalsContact OD1-CA 3.25Å; D77-S128 WeakPolarHBondContact OD1-CA 3.33Å; D77-S128 WeakPolarHBondContact OD1-CB 3.21Å; D77-S128 PolarHBondContact OD1-OG 3.05Å; N125-S128 PolarHBondContact O-N 3.21Å; S128-S130 VanDerWaalsContact C-N 3.26Å; S128-S130 PolarHBondContact O-N 3.33Å; S128-A131 PolarHBondContact O-N 2.8Å; S128-A131 PolarHBondContact OG-N 2.78Å; S128-W132 PolarHBondContact O-N 2.99Å
129Y95.7Very high96.6Very high145 Ų14546.8 Ų46.857%0.56923%0.226SC*.Hα-helixtrans-56.1-42.8173.5-80.5-70.7000112.1H133 F165 H166Y129-H133 WeakPolarHBondContact O-CB 3.45Å; Y129-H133 PolarHBondContact O-N 3.17Å; Y129-F165 HydrophobicContact CE1-CE2 4.23Å; Y129-F165 AromaticContact CZ-CE2 3.85Å; Y129-F165 VanDerWaalsContact OH-CE2 3.3Å; Y129-F165 WeakPolarHBondContact OH-CE2 3.37Å; Y129-H166 AromaticContact CD1-CE1 3.96Å; Y129-H166 AromaticContact CD1-ND1 3.53Å; Y129-H166 AromaticContact CD2-CE1 3.57Å; Y129-H166 AromaticContact CD2-ND1 3.97Å; Y129-H166 AromaticContact CE1-CE1 3.79Å; Y129-H166 AromaticContact CE1-ND1 3.51Å; Y129-H166 AromaticContact CE2-CE1 3.41Å; Y129-H166 VanDerWaalsContact CE2-CE1 3.41Å; Y129-H166 WeakPolarHBondContact CE2-CE1 3.06Å; Y129-H166 AromaticContact CE2-ND1 3.98Å; Y129-H166 AromaticContact CG-CE1 3.86Å; Y129-H166 AromaticContact CG-ND1 3.77Å; Y129-H166 AromaticContact CZ-CE1 3.53Å; Y129-H166 AromaticContact CZ-ND1 3.76Å
130S96.4Very high96.5Very high11 Ų1144.5 Ų44.58%0.07722%0.22CC..Hα-helixtrans-70.6-38.7-173.3-55.90000111.8T79 S128 H134T79-S130 PolarHBondContact OG1-OG 3.23Å; S128-S130 VanDerWaalsContact C-N 3.26Å; S128-S130 PolarHBondContact O-N 3.33Å; S130-H134 VanDerWaalsContact O-CB 3.31Å; S130-H134 WeakPolarHBondContact O-CB 3.28Å; S130-H134 PolarHBondContact O-N 2.99Å
131A97.9Very high96.5Very high0 Ų047.6 Ų47.60%022%0.221CC..Hα-helixtrans-67.5-46.8177.700000112P76 W82 C121 L122 S128 H134 R135P76-A131 HydrophobicContact CB-CB 4.21Å; W82-A131 HydrophobicContact CZ2-CB 4.28Å; C121-A131 HydrophobicContact CB-CB 4.34Å; L122-A131 HydrophobicContact CD2-CB 3.74Å; L122-A131 HydrophobicContact CG-CB 4.03Å; S128-A131 PolarHBondContact O-N 2.8Å; S128-A131 PolarHBondContact OG-N 2.78Å; A131-H134 PolarHBondContact O-N 3.47Å; A131-R135 WeakPolarHBondContact O-CB 3.33Å; A131-R135 PolarHBondContact O-N 3Å
132W98.1Very high96.3Very high12 Ų1249 Ų495%0.04523%0.227CC..Hα-helixtrans-61.5-44.4175.7-76.6117.2000112.2L122 P126 S128 H134 R135 Y136 L153 A157 H166 C167 Y170L122-W132 HydrophobicContact CD1-CD2 3.84Å; L122-W132 HydrophobicContact CD1-CE3 3.7Å; L122-W132 HydrophobicContact CD1-CH2 3.9Å; L122-W132 HydrophobicContact CD1-CZ2 4.01Å; L122-W132 HydrophobicContact CD1-CZ3 3.73Å; L122-W132 HydrophobicContact CD2-CD2 3.75Å; L122-W132 VanDerWaalsContact CD2-CE2 3.48Å; L122-W132 HydrophobicContact CD2-CE3 4.48Å; L122-W132 HydrophobicContact CD2-CG 3.88Å; L122-W132 HydrophobicContact CD2-CZ2 4.02Å; L122-W132 HydrophobicContact CG-CD2 4.47Å; P126-W132 PolarHBondContact O-NE1 3.04Å; S128-W132 PolarHBondContact O-N 2.99Å; W132-H134 PolarHBondContact O-N 3.05Å; W132-R135 PolarHBondContact O-N 3.38Å; W132-Y136 PolarHBondContact O-N 3.1Å; W132-L153 HydrophobicContact CH2-CD2 4.07Å; W132-L153 HydrophobicContact CZ3-CD2 4.16Å; W132-A157 HydrophobicContact CH2-CB 4.44Å; W132-H166 VanDerWaalsContact CD1-CB 3.44Å; W132-H166 HydrophobicContact CG-CB 4.34Å; W132-C167 HydrophobicContact CH2-CB 4.27Å; W132-C167 HydrophobicContact CZ2-CB 3.84Å; W132-Y170 HydrophobicContact CD2-CG 4.28Å; W132-Y170 AromaticContact CE3-CD1 3.54Å; W132-Y170 HydrophobicContact CE3-CD1 3.54Å; W132-Y170 AromaticContact CE3-CD2 3.73Å; W132-Y170 HydrophobicContact CE3-CD2 3.73Å; W132-Y170 HydrophobicContact CE3-CE1 4.05Å; W132-Y170 HydrophobicContact CE3-CE2 4.21Å; W132-Y170 AromaticContact CE3-CG 3.35Å; W132-Y170 HydrophobicContact CE3-CG 3.35Å; W132-Y170 HydrophobicContact CH2-CD1 4.35Å; W132-Y170 AromaticContact CZ3-CD1 3.31Å; W132-Y170 HydrophobicContact CZ3-CD1 3.31Å; W132-Y170 HydrophobicContact CZ3-CD2 4.36Å; W132-Y170 AromaticContact CZ3-CE1 3.72Å; W132-Y170 HydrophobicContact CZ3-CE1 3.72Å; W132-Y170 AromaticContact CZ3-CG 3.67Å; W132-Y170 HydrophobicContact CZ3-CG 3.67Å
133H97.6Very high95.9Very high106 Ų10655.5 Ų55.549%0.49126%0.258SS..Hα-helixtrans-64.1-41.5178.2-17577.2000112.3Y129 Y136 W137Y129-H133 WeakPolarHBondContact O-CB 3.45Å; Y129-H133 PolarHBondContact O-N 3.17Å; H133-Y136 PolarHBondContact O-N 3.18Å; H133-W137 WeakPolarHBondContact O-CB 3.44Å; H133-W137 PolarHBondContact O-N 3.01Å
134H98.2Very high95.7Very high1 Ų151.9 Ų51.91%0.00524%0.244CC..Hα-helixtrans-68-37.1176-167.484.1000112W82 E114 T118 S130 A131 W132 W137 A138W82-H134 HydrophobicContact CD2-CB 4.01Å; W82-H134 HydrophobicContact CE3-CB 3.69Å; W82-H134 AromaticContact CE3-CD2 3.36Å; W82-H134 AromaticContact CE3-CE1 3.78Å; W82-H134 AromaticContact CE3-CG 3.26Å; W82-H134 AromaticContact CE3-ND1 3.57Å; W82-H134 AromaticContact CE3-NE2 3.65Å; W82-H134 HydrophobicContact CZ3-CB 4.05Å; W82-H134 AromaticContact CZ3-CD2 3.17Å; W82-H134 WeakPolarHBondContact CZ3-CD2 3.46Å; W82-H134 AromaticContact CZ3-CG 3.58Å; W82-H134 AromaticContact CZ3-NE2 3.58Å; E114-H134 IonicContact OE2-CD2 3.4Å; E114-H134 IonicContact OE2-CE1 3.68Å; E114-H134 IonicContact OE2-NE2 2.76Å; E114-H134 PolarHBondContact OE2-NE2 3.17Å; T118-H134 HydrophobicContact CG2-CB 4.23Å; S130-H134 VanDerWaalsContact O-CB 3.31Å; S130-H134 WeakPolarHBondContact O-CB 3.28Å; S130-H134 PolarHBondContact O-N 2.99Å; A131-H134 PolarHBondContact O-N 3.47Å; W132-H134 PolarHBondContact O-N 3.05Å; H134-W137 AromaticContact CE1-CE3 3.51Å; H134-W137 AromaticContact CE1-CZ3 3.52Å; H134-W137 AromaticContact ND1-CE3 3.76Å; H134-W137 AromaticContact NE2-CE3 3.88Å; H134-W137 AromaticContact NE2-CZ3 3.77Å; H134-W137 WeakPolarHBondContact O-CB 3.23Å; H134-W137 PolarHBondContact O-N 3.47Å; H134-A138 PolarHBondContact O-N 3.18Å
135R98.2Very high95.7Very high10 Ų1047.5 Ų47.54%0.03823%0.229CC..Hα-helixtrans-60.1-48.4173.5-168.2-179.9178.281.45.6110.9L115 T118 A131 W132 W137 A138 F139 E150 Y170L115-R135 HydrophobicContact CD2-CG 3.85Å; L115-R135 PolarHBondContact O-NH1 3.37Å; T118-R135 HydrophobicContact CG2-CB 4.03Å; T118-R135 WeakPolarHBondContact OG1-CG 3.38Å; T118-R135 PolarHBondContact OG1-NH1 3.4Å; A131-R135 WeakPolarHBondContact O-CB 3.33Å; A131-R135 PolarHBondContact O-N 3Å; W132-R135 PolarHBondContact O-N 3.38Å; R135-W137 VanDerWaalsContact C-N 3.34Å; R135-W137 PolarHBondContact O-N 2.93Å; R135-A138 PolarHBondContact O-N 2.76Å; R135-F139 VanDerWaalsContact O-CB 3.32Å; R135-F139 WeakPolarHBondContact O-CB 3.35Å; R135-F139 PolarHBondContact O-N 2.82Å; R135-E150 IonicContact CZ-OE1 3.49Å; R135-E150 IonicContact CZ-OE2 3.24Å; R135-E150 IonicContact NE-OE1 2.8Å; R135-E150 PolarHBondContact NE-OE1 3.04Å; R135-E150 IonicContact NE-OE2 2.72Å; R135-E150 IonicContact NH2-OE1 3.58Å; R135-E150 PolarHBondContact NH2-OE1 3.22Å; R135-E150 IonicContact NH2-OE2 2.73Å; R135-E150 PolarHBondContact NH2-OE2 2.56Å; R135-Y170 HydrophobicContact CB-CE2 4.29Å; R135-Y170 HydrophobicContact CG-CE2 4.34Å; R135-Y170 WeakPolarHBondContact CG-OH 3.43Å
136Y98.3Very high95.8Very high60 Ų6049.7 Ų49.724%0.23524%0.24CC..Hα-helixtrans-59.5-45175.3176-108000111.7W132 H133 A138 F139 S140 L173 I174W132-Y136 PolarHBondContact O-N 3.1Å; H133-Y136 PolarHBondContact O-N 3.18Å; Y136-A138 VanDerWaalsContact C-N 3.31Å; Y136-A138 PolarHBondContact O-N 3.36Å; Y136-F139 PolarHBondContact O-N 2.93Å; Y136-S140 VanDerWaalsContact O-CB 3.23Å; Y136-S140 WeakPolarHBondContact O-CB 3.41Å; Y136-S140 PolarHBondContact O-N 2.98Å; Y136-S140 PolarHBondContact O-OG 3.34Å; Y136-L173 HydrophobicContact CD1-CD1 4.16Å; Y136-L173 HydrophobicContact CD2-CB 3.69Å; Y136-L173 HydrophobicContact CD2-CD1 4.12Å; Y136-L173 HydrophobicContact CD2-CG 4.44Å; Y136-L173 HydrophobicContact CE1-CD1 4.48Å; Y136-L173 HydrophobicContact CE1-CD2 4.46Å; Y136-L173 HydrophobicContact CE2-CB 3.6Å; Y136-L173 HydrophobicContact CE2-CD1 4.46Å; Y136-L173 HydrophobicContact CE2-CD2 4.44Å; Y136-L173 HydrophobicContact CE2-CG 4.39Å; Y136-L173 HydrophobicContact CG-CB 4.38Å; Y136-L173 HydrophobicContact CG-CD1 3.95Å; Y136-I174 HydrophobicContact CD2-CD1 4.2Å
137W97.9Very high95.9Very high14 Ų1449.8 Ų49.85%0.05324%0.235CC..Hα-helixtrans-57.4-42.8177.2166.482.5000112.5R86 L89 L90 L111 H133 H134 R135 S140 R141R86-W137 VanDerWaalsContact CD-CD1 3.44Å; R86-W137 HydrophobicContact CG-CD2 3.85Å; R86-W137 VanDerWaalsContact CG-CE2 3.47Å; R86-W137 HydrophobicContact CG-CE3 4.38Å; R86-W137 HydrophobicContact CG-CG 4.33Å; R86-W137 HydrophobicContact CG-CH2 4.29Å; R86-W137 HydrophobicContact CG-CZ2 3.73Å; L89-W137 HydrophobicContact CB-CH2 3.72Å; L89-W137 HydrophobicContact CB-CZ2 4.47Å; L89-W137 HydrophobicContact CD1-CH2 3.76Å; L89-W137 HydrophobicContact CD1-CZ3 3.82Å; L89-W137 HydrophobicContact CG-CH2 4.41Å; L90-W137 HydrophobicContact CD2-CZ2 3.92Å; L90-W137 HydrophobicContact CG-CZ2 3.96Å; L111-W137 HydrophobicContact CD2-CH2 4.43Å; H133-W137 WeakPolarHBondContact O-CB 3.44Å; H133-W137 PolarHBondContact O-N 3.01Å; H134-W137 AromaticContact CE1-CE3 3.51Å; H134-W137 AromaticContact CE1-CZ3 3.52Å; H134-W137 AromaticContact ND1-CE3 3.76Å; H134-W137 AromaticContact NE2-CE3 3.88Å; H134-W137 AromaticContact NE2-CZ3 3.77Å; H134-W137 WeakPolarHBondContact O-CB 3.23Å; H134-W137 PolarHBondContact O-N 3.47Å; R135-W137 VanDerWaalsContact C-N 3.34Å; R135-W137 PolarHBondContact O-N 2.93Å; W137-S140 PolarHBondContact O-OG 3.45Å; W137-R141 WeakPolarHBondContact O-CD 3.45Å; W137-R141 PolarHBondContact O-NH1 2.82Å
138A97.6Very high96Very high0 Ų048.5 Ų48.50%024%0.243CC..Hα-helixtrans-71.4-48.817800000111.4L111 E114 L115 H134 R135 Y136 S140 R141L111-A138 HydrophobicContact CD2-CB 4.26Å; E114-A138 HydrophobicContact CB-CB 4.13Å; L115-A138 HydrophobicContact CD2-CB 4.05Å; L115-A138 HydrophobicContact CG-CB 4.47Å; H134-A138 PolarHBondContact O-N 3.18Å; R135-A138 PolarHBondContact O-N 2.76Å; Y136-A138 VanDerWaalsContact C-N 3.31Å; Y136-A138 PolarHBondContact O-N 3.36Å; A138-S140 PolarHBondContact O-N 2.7Å; A138-R141 PolarHBondContact O-N 2.81Å
139F98Very high96Very high6 Ų651.3 Ų51.33%0.02626%0.263CS..Hα-helixtrans-62.4-42.6-177.7-164.9-94.1000112.3L115 R135 Y136 R141 M142 P145 F147 E150 I174 L177L115-F139 HydrophobicContact CD1-CD2 3.97Å; L115-F139 HydrophobicContact CD2-CB 3.95Å; L115-F139 HydrophobicContact CD2-CD2 4.12Å; R135-F139 VanDerWaalsContact O-CB 3.32Å; R135-F139 WeakPolarHBondContact O-CB 3.35Å; R135-F139 PolarHBondContact O-N 2.82Å; Y136-F139 PolarHBondContact O-N 2.93Å; F139-R141 PolarHBondContact O-N 2.95Å; F139-R141 VanDerWaalsContact O-N 3.08Å; F139-M142 WeakPolarHBondContact O-CB 3.41Å; F139-M142 WeakPolarHBondContact O-CG 3.44Å; F139-M142 PolarHBondContact O-N 2.84Å; F139-M142 VanDerWaalsContact O-N 3.1Å; F139-P145 HydrophobicContact CD1-CB 4.33Å; F139-P145 HydrophobicContact CE1-CB 3.68Å; F139-P145 HydrophobicContact CE2-CB 4.22Å; F139-P145 HydrophobicContact CZ-CB 3.6Å; F139-F147 AromaticContact CE1-CD1 3.75Å; F139-F147 HydrophobicContact CE1-CD1 3.75Å; F139-F147 AromaticContact CE1-CE1 3.7Å; F139-F147 HydrophobicContact CE1-CE1 3.7Å; F139-F147 HydrophobicContact CZ-CD1 4.1Å; F139-F147 HydrophobicContact CZ-CE1 4.43Å; F139-E150 HydrophobicContact CD1-CG 4.44Å; F139-E150 HydrophobicContact CD2-CG 4.05Å; F139-E150 WeakPolarHBondContact CD2-OE2 3.44Å; F139-E150 HydrophobicContact CE1-CB 4.32Å; F139-E150 HydrophobicContact CE1-CG 4.06Å; F139-E150 HydrophobicContact CE2-CB 3.66Å; F139-E150 HydrophobicContact CE2-CG 3.64Å; F139-E150 WeakPolarHBondContact CE2-OE2 3.37Å; F139-E150 HydrophobicContact CG-CG 4.44Å; F139-E150 HydrophobicContact CZ-CB 3.53Å; F139-E150 HydrophobicContact CZ-CG 3.64Å; F139-I174 HydrophobicContact CD1-CD1 3.62Å; F139-I174 HydrophobicContact CE1-CD1 4.04Å; F139-I174 HydrophobicContact CG-CD1 4.33Å; F139-L177 HydrophobicContact CD1-CD2 3.88Å; F139-L177 HydrophobicContact CE1-CD2 4.25Å
140S97Very high96.1Very high37 Ų3744.6 Ų44.626%0.25924%0.237SC..THydrogen-bonded Turntrans-65-9.4178.358.30000115.2Y136 W137 A138Y136-S140 VanDerWaalsContact O-CB 3.23Å; Y136-S140 WeakPolarHBondContact O-CB 3.41Å; Y136-S140 PolarHBondContact O-N 2.98Å; Y136-S140 PolarHBondContact O-OG 3.34Å; W137-S140 PolarHBondContact O-OG 3.45Å; A138-S140 PolarHBondContact O-N 2.7Å
141R94.7Very high96.1Very high114 Ų11445.1 Ų45.143%0.4324%0.238SC..THydrogen-bonded Turntrans-105.1-2.9177.1-76.1168.2174.76310113.5L111 W137 A138 F139 Q143L111-R141 HydrophobicContact CD1-CB 3.92Å; L111-R141 HydrophobicContact CD2-CB 4.3Å; W137-R141 WeakPolarHBondContact O-CD 3.45Å; W137-R141 PolarHBondContact O-NH1 2.82Å; A138-R141 PolarHBondContact O-N 2.81Å; F139-R141 PolarHBondContact O-N 2.95Å; F139-R141 VanDerWaalsContact O-N 3.08Å; R141-Q143 PolarHBondContact O-N 3.06Å
142M93.5Very high96.1Very high28 Ų2848 Ų4814%0.13826%0.261CS..  trans-66.3131.4173.9-65.2-69.9-77.500109.1R108 L111 E112 F139 S144 P145R108-M142 HydrophobicContact CG-CE 4.2Å; L111-M142 HydrophobicContact CB-SD 3.45Å; L111-M142 WeakPolarHBondContact CB-SD 3.36Å; L111-M142 HydrophobicContact CD1-CG 4.47Å; L111-M142 HydrophobicContact CD1-SD 3.84Å; L111-M142 HydrophobicContact CG-SD 4.3Å; E112-M142 HydrophobicContact CG-CE 3.93Å; F139-M142 WeakPolarHBondContact O-CB 3.41Å; F139-M142 WeakPolarHBondContact O-CG 3.44Å; F139-M142 PolarHBondContact O-N 2.84Å; F139-M142 VanDerWaalsContact O-N 3.1Å; M142-S144 VanDerWaalsContact C-N 3.34Å; M142-P145 HydrophobicContact CB-CB 3.96Å; M142-P145 WeakPolarHBondContact O-CD 3.28Å
143Q88.2Confident96.1Very high151 Ų15149 Ų4971%0.70627%0.268SS*.SBendtrans-71.3-31.6175-66.8175.88.600112.1R141R141-Q143 PolarHBondContact O-N 3.06Å
144S89Confident96.1Very high69 Ų6944 Ų4448%0.48324%0.244SC..SBendtrans-131.469.9177.959.70000109.8M142M142-S144 VanDerWaalsContact C-N 3.34Å
145P92.8Very high95.9Very high34 Ų3447 Ų4722%0.22126%0.26CS..  trans-66.1134.3179.625.4-30000110.7F139 M142 F147F139-P145 HydrophobicContact CD1-CB 4.33Å; F139-P145 HydrophobicContact CE1-CB 3.68Å; F139-P145 HydrophobicContact CE2-CB 4.22Å; F139-P145 HydrophobicContact CZ-CB 3.6Å; M142-P145 HydrophobicContact CB-CB 3.96Å; M142-P145 WeakPolarHBondContact O-CD 3.28Å; P145-F147 HydrophobicContact CB-CE2 4.27Å; P145-F147 HydrophobicContact CB-CZ 4.24Å; P145-F147 HydrophobicContact CG-CD2 4.29Å; P145-F147 HydrophobicContact CG-CE1 4.42Å; P145-F147 HydrophobicContact CG-CE2 3.58Å; P145-F147 HydrophobicContact CG-CZ 3.66Å; P145-F147 PolarHBondContact O-N 3.04Å
146D95.8Very high95.8Very high90 Ų9049.6 Ų49.648%0.48128%0.28SS..  trans-86.290.5170.9177.97.2000109.5A148 S149 E150D146-A148 VanDerWaalsContact C-N 3.25Å; D146-A148 PolarHBondContact O-N 3.1Å; D146-A148 WeakPolarHBondContact OD1-CB 3.27Å; D146-A148 PolarHBondContact OD1-N 3.13Å; D146-A148 VanDerWaalsContact OD1-N 3.1Å; D146-S149 WeakPolarHBondContact CB-OG 3.49Å; D146-S149 PolarHBondContact O-OG 2.85Å; D146-S149 PolarHBondContact OD1-N 2.59Å; D146-S149 WeakPolarHBondContact OD2-CB 3.3Å; D146-S149 PolarHBondContact OD2-OG 3.22Å; D146-E150 PolarHBondContact O-N 3.39Å
147F97.1Very high95.7Very high58 Ų5847.8 Ų47.825%0.25428%0.278SS..Hα-helixtrans-65.7-27.8178.4-67.6-74.2000112.9F139 P145 E150 F151 I174 L177 A178F139-F147 AromaticContact CE1-CD1 3.75Å; F139-F147 HydrophobicContact CE1-CD1 3.75Å; F139-F147 AromaticContact CE1-CE1 3.7Å; F139-F147 HydrophobicContact CE1-CE1 3.7Å; F139-F147 HydrophobicContact CZ-CD1 4.1Å; F139-F147 HydrophobicContact CZ-CE1 4.43Å; P145-F147 HydrophobicContact CB-CE2 4.27Å; P145-F147 HydrophobicContact CB-CZ 4.24Å; P145-F147 HydrophobicContact CG-CD2 4.29Å; P145-F147 HydrophobicContact CG-CE1 4.42Å; P145-F147 HydrophobicContact CG-CE2 3.58Å; P145-F147 HydrophobicContact CG-CZ 3.66Å; P145-F147 PolarHBondContact O-N 3.04Å; F147-E150 PolarHBondContact O-N 3.46Å; F147-F151 HydrophobicContact CB-CD2 4.26Å; F147-F151 HydrophobicContact CB-CE2 4.22Å; F147-F151 WeakPolarHBondContact O-CB 3.3Å; F147-F151 WeakPolarHBondContact O-CD2 3.46Å; F147-F151 PolarHBondContact O-N 2.79Å; F147-I174 HydrophobicContact CD1-CG2 4.17Å; F147-L177 HydrophobicContact CE1-CB 4.38Å; F147-L177 HydrophobicContact CE1-CD2 4.13Å; F147-L177 HydrophobicContact CE1-CG 4.03Å; F147-L177 HydrophobicContact CZ-CD2 4.46Å; F147-L177 HydrophobicContact CZ-CG 4.12Å; F147-A178 HydrophobicContact CD1-CB 3.62Å; F147-A178 HydrophobicContact CE1-CB 3.61Å; F147-A178 HydrophobicContact CE2-CB 4.49Å; F147-A178 HydrophobicContact CG-CB 4.08Å; F147-A178 HydrophobicContact CZ-CB 4.08Å
148A97.3Very high95.6Very high72 Ų7247.2 Ų47.260%0.59528%0.276SS*.Hα-helixtrans-68.5-46.6-177.500000110.9D146 E150 A152D146-A148 VanDerWaalsContact C-N 3.25Å; D146-A148 PolarHBondContact O-N 3.1Å; D146-A148 WeakPolarHBondContact OD1-CB 3.27Å; D146-A148 PolarHBondContact OD1-N 3.13Å; D146-A148 VanDerWaalsContact OD1-N 3.1Å; A148-E150 VanDerWaalsContact C-N 3.3Å; A148-E150 PolarHBondContact O-N 3.03Å; A148-A152 WeakPolarHBondContact O-CB 3.49Å; A148-A152 PolarHBondContact O-N 2.75Å
149S96.5Very high95.4Very high60 Ų6054.4 Ų54.442%0.4231%0.309SS..Hα-helixtrans-65.8-35173.259.20000112.3D146 A152 L153D146-S149 WeakPolarHBondContact CB-OG 3.49Å; D146-S149 PolarHBondContact O-OG 2.85Å; D146-S149 PolarHBondContact OD1-N 2.59Å; D146-S149 WeakPolarHBondContact OD2-CB 3.3Å; D146-S149 PolarHBondContact OD2-OG 3.22Å; S149-A152 PolarHBondContact O-N 3.06Å; S149-L153 PolarHBondContact O-N 3.01Å
150E97.8Very high95.2Very high4 Ų461.9 Ų61.92%0.01934%0.344CS..Hα-helixtrans-66.9-42.7178.6-16261.4-152.900112.5R135 F139 D146 F147 A148 L153 I154 Y170 I174R135-E150 IonicContact CZ-OE1 3.49Å; R135-E150 IonicContact CZ-OE2 3.24Å; R135-E150 IonicContact NE-OE1 2.8Å; R135-E150 PolarHBondContact NE-OE1 3.04Å; R135-E150 IonicContact NE-OE2 2.72Å; R135-E150 IonicContact NH2-OE1 3.58Å; R135-E150 PolarHBondContact NH2-OE1 3.22Å; R135-E150 IonicContact NH2-OE2 2.73Å; R135-E150 PolarHBondContact NH2-OE2 2.56Å; F139-E150 HydrophobicContact CD1-CG 4.44Å; F139-E150 HydrophobicContact CD2-CG 4.05Å; F139-E150 WeakPolarHBondContact CD2-OE2 3.44Å; F139-E150 HydrophobicContact CE1-CB 4.32Å; F139-E150 HydrophobicContact CE1-CG 4.06Å; F139-E150 HydrophobicContact CE2-CB 3.66Å; F139-E150 HydrophobicContact CE2-CG 3.64Å; F139-E150 WeakPolarHBondContact CE2-OE2 3.37Å; F139-E150 HydrophobicContact CG-CG 4.44Å; F139-E150 HydrophobicContact CZ-CB 3.53Å; F139-E150 HydrophobicContact CZ-CG 3.64Å; D146-E150 PolarHBondContact O-N 3.39Å; F147-E150 PolarHBondContact O-N 3.46Å; A148-E150 VanDerWaalsContact C-N 3.3Å; A148-E150 PolarHBondContact O-N 3.03Å; E150-L153 PolarHBondContact O-N 3.44Å; E150-I154 WeakPolarHBondContact O-CG1 3.24Å; E150-I154 PolarHBondContact O-N 2.79Å; E150-Y170 HydrophobicContact CG-CE1 4.36Å; E150-Y170 WeakPolarHBondContact OE1-CE1 3.08Å; E150-Y170 VanDerWaalsContact OE1-CZ 3.24Å; E150-Y170 PolarHBondContact OE1-OH 2.99Å; E150-I174 HydrophobicContact CG-CD1 4.32Å; E150-I174 HydrophobicContact CG-CG1 4.31Å; E150-I174 HydrophobicContact CG-CG2 4.31Å
151F97.6Very high95Very high21 Ų2161.9 Ų61.99%0.09234%0.341CS..Hα-helixtrans-66.1-37.1173.1-78-59.6000112.2F147 L153 I154 D155 I174 A178F147-F151 HydrophobicContact CB-CD2 4.26Å; F147-F151 HydrophobicContact CB-CE2 4.22Å; F147-F151 WeakPolarHBondContact O-CB 3.3Å; F147-F151 WeakPolarHBondContact O-CD2 3.46Å; F147-F151 PolarHBondContact O-N 2.79Å; F151-L153 VanDerWaalsContact C-N 3.3Å; F151-L153 PolarHBondContact O-N 2.9Å; F151-I154 HydrophobicContact CD1-CD1 4.1Å; F151-I154 WeakPolarHBondContact O-CB 3.46Å; F151-I154 PolarHBondContact O-N 2.9Å; F151-D155 WeakPolarHBondContact O-CB 3.39Å; F151-D155 VanDerWaalsContact O-CG 3.31Å; F151-D155 PolarHBondContact O-N 3.45Å; F151-I174 HydrophobicContact CD1-CG2 4.47Å; F151-I174 HydrophobicContact CE1-CG2 3.92Å; F151-I174 HydrophobicContact CE2-CG2 4.3Å; F151-I174 HydrophobicContact CZ-CG2 3.82Å; F151-A178 HydrophobicContact CE2-CB 4.22Å; F151-A178 HydrophobicContact CZ-CB 4.29Å
152A97.2Very high95Very high60 Ų6058 Ų5850%0.49633%0.33SS..Hα-helixtrans-61.6-38.6174.800000112.3A148 S149 S156A148-A152 WeakPolarHBondContact O-CB 3.49Å; A148-A152 PolarHBondContact O-N 2.75Å; S149-A152 PolarHBondContact O-N 3.06Å; A152-S156 WeakPolarHBondContact O-CB 3.33Å; A152-S156 PolarHBondContact O-N 3.37Å
153L96.8Very high94.8Very high34 Ų3461.7 Ų61.718%0.17834%0.342CS..Hα-helixtrans-65-44173.4179.3148000111.8E119 W132 S149 E150 F151 S156 A157E119-L153 HydrophobicContact CG-CD1 3.97Å; W132-L153 HydrophobicContact CH2-CD2 4.07Å; W132-L153 HydrophobicContact CZ3-CD2 4.16Å; S149-L153 PolarHBondContact O-N 3.01Å; E150-L153 PolarHBondContact O-N 3.44Å; F151-L153 VanDerWaalsContact C-N 3.3Å; F151-L153 PolarHBondContact O-N 2.9Å; L153-S156 PolarHBondContact O-N 3.26Å; L153-A157 WeakPolarHBondContact O-CB 3.28Å; L153-A157 PolarHBondContact O-N 2.84Å
154I97.6Very high95.1Very high0 Ų054.6 Ų54.60%031%0.309CS..Hα-helixtrans-59.8-48.2176.6-70.5163.2000110.4E150 F151 S156 A157 L158 Y170 R171 I174E150-I154 WeakPolarHBondContact O-CG1 3.24Å; E150-I154 PolarHBondContact O-N 2.79Å; F151-I154 HydrophobicContact CD1-CD1 4.1Å; F151-I154 WeakPolarHBondContact O-CB 3.46Å; F151-I154 PolarHBondContact O-N 2.9Å; I154-S156 VanDerWaalsContact C-N 3.34Å; I154-S156 PolarHBondContact O-N 3.14Å; I154-A157 PolarHBondContact O-N 2.84Å; I154-L158 HydrophobicContact CG2-CD1 3.91Å; I154-L158 HydrophobicContact CG2-CG 4.4Å; I154-L158 WeakPolarHBondContact O-CB 3.45Å; I154-L158 WeakPolarHBondContact O-CG 3.48Å; I154-L158 PolarHBondContact O-N 3.41Å; I154-Y170 HydrophobicContact CD1-CD1 3.87Å; I154-Y170 HydrophobicContact CD1-CE1 3.91Å; I154-Y170 HydrophobicContact CG1-CD1 3.82Å; I154-Y170 HydrophobicContact CG1-CE1 3.99Å; I154-R171 HydrophobicContact CG2-CB 3.91Å; I154-R171 HydrophobicContact CG2-CG 4.05Å; I154-I174 HydrophobicContact CD1-CB 4.11Å; I154-I174 HydrophobicContact CD1-CG1 4.08Å; I154-I174 HydrophobicContact CD1-CG2 4.24Å
155D96.1Very high95.3Very high64 Ų6455.2 Ų55.234%0.34230%0.303SS..Hα-helixtrans-64.6-40.4-178.1-71.9-17.4000111.3F151 L158 Q159 R171F151-D155 WeakPolarHBondContact O-CB 3.39Å; F151-D155 VanDerWaalsContact O-CG 3.31Å; F151-D155 PolarHBondContact O-N 3.45Å; D155-L158 CarbonylContact O-C 3.3Å; D155-L158 PolarHBondContact O-N 3.25Å; D155-Q159 WeakPolarHBondContact O-CB 3.45Å; D155-Q159 PolarHBondContact O-N 2.89Å; D155-R171 IonicContact OD1-NH1 3.66Å; D155-R171 PolarHBondContact OD1-NH1 3.28Å
156S95.7Very high95.5Very high65 Ų6554.2 Ų54.246%0.45530%0.295SS..Hα-helixtrans-62-45.3172.5178.60000111.8A152 L153 I154 L158 Q159 E160A152-S156 WeakPolarHBondContact O-CB 3.33Å; A152-S156 PolarHBondContact O-N 3.37Å; L153-S156 PolarHBondContact O-N 3.26Å; I154-S156 VanDerWaalsContact C-N 3.34Å; I154-S156 PolarHBondContact O-N 3.14Å; S156-L158 VanDerWaalsContact C-N 3.34Å; S156-L158 PolarHBondContact O-N 3.18Å; S156-Q159 WeakPolarHBondContact O-CB 3.32Å; S156-Q159 PolarHBondContact O-N 3.48Å; S156-Q159 VanDerWaalsContact O-N 3.12Å; S156-E160 PolarHBondContact O-N 3.11Å; S156-E160 VanDerWaalsContact O-N 3.17Å
157A96.1Very high95.6Very high23 Ų2349.9 Ų49.919%0.1927%0.272CS..Hα-helixtrans-64.2-37.2177.600000112.7W132 L153 I154 Q159 E160 D161W132-A157 HydrophobicContact CH2-CB 4.44Å; L153-A157 WeakPolarHBondContact O-CB 3.28Å; L153-A157 PolarHBondContact O-N 2.84Å; I154-A157 PolarHBondContact O-N 2.84Å; A157-Q159 VanDerWaalsContact C-N 3.31Å; A157-E160 PolarHBondContact O-N 2.97Å; A157-D161 PolarHBondContact O-N 3.31Å; A157-D161 VanDerWaalsContact O-N 3.07Å
158L95.7Very high95.6Very high1 Ų147.4 Ų47.41%0.00526%0.261CS..Hα-helixtrans-78-12174.8-69.2178.3000113.5I154 D155 S156 D162 C167 W168 F188I154-L158 HydrophobicContact CG2-CD1 3.91Å; I154-L158 HydrophobicContact CG2-CG 4.4Å; I154-L158 WeakPolarHBondContact O-CB 3.45Å; I154-L158 WeakPolarHBondContact O-CG 3.48Å; I154-L158 PolarHBondContact O-N 3.41Å; D155-L158 CarbonylContact O-C 3.3Å; D155-L158 PolarHBondContact O-N 3.25Å; S156-L158 VanDerWaalsContact C-N 3.34Å; S156-L158 PolarHBondContact O-N 3.18Å; L158-D162 WeakPolarHBondContact O-CA 3.47Å; L158-D162 VanDerWaalsContact O-CB 3.23Å; L158-D162 WeakPolarHBondContact O-CB 3.16Å; L158-D162 PolarHBondContact O-N 2.75Å; L158-C167 HydrophobicContact CD2-CB 3.85Å; L158-C167 HydrophobicContact CG-CB 4.39Å; L158-W168 HydrophobicContact CD1-CD2 4.42Å; L158-W168 HydrophobicContact CD1-CZ2 4.5Å; L158-W168 HydrophobicContact CD2-CD2 4.29Å; L158-W168 HydrophobicContact CD2-CG 4.16Å; L158-F188 HydrophobicContact CD1-CE1 4.25Å; L158-F188 HydrophobicContact CD1-CZ 3.92Å
159Q93.3Very high95.5Very high152 Ų15246.5 Ų46.571%0.7125%0.246SC*.Hα-helixtrans-80.5-36.3169.2-174.8175.11.100110.8D155 S156 A157D155-Q159 WeakPolarHBondContact O-CB 3.45Å; D155-Q159 PolarHBondContact O-N 2.89Å; S156-Q159 WeakPolarHBondContact O-CB 3.32Å; S156-Q159 PolarHBondContact O-N 3.48Å; S156-Q159 VanDerWaalsContact O-N 3.12Å; A157-Q159 VanDerWaalsContact C-N 3.31Å
160E92.9Very high95.6Very high162 Ų16243.8 Ų43.876%0.75723%0.227SC*.Hα-helixtrans-75.3-39.5177.6-67-63.3136.300113.1S156 A157S156-E160 PolarHBondContact O-N 3.11Å; S156-E160 VanDerWaalsContact O-N 3.17Å; A157-E160 PolarHBondContact O-N 2.97Å
161D93.8Very high95.6Very high37 Ų3743.7 Ų43.720%0.19823%0.226CC..  trans-14490.5173.1-174.6-2.5000109.5K127 A157 R163 N164K127-D161 WeakPolarHBondContact CE-OD2 3.19Å; K127-D161 IonicContact NZ-OD2 3.93Å; K127-D161 PolarHBondContact NZ-OD2 3.43Å; A157-D161 PolarHBondContact O-N 3.31Å; A157-D161 VanDerWaalsContact O-N 3.07Å; D161-R163 PolarHBondContact O-N 2.87Å; D161-R163 VanDerWaalsContact O-N 3.16Å; D161-R163 PolarHBondContact OD1-N 3.29Å; D161-N164 HydrophobicContact CB-CB 3.99Å; D161-N164 WeakPolarHBondContact O-CB 3.31Å; D161-N164 PolarHBondContact O-N 3.4Å; D161-N164 PolarHBondContact OD1-N 2.95Å
162D93.3Very high95.5Very high34 Ų3447.2 Ų47.218%0.18224%0.239CC..THydrogen-bonded Turntrans-66.8-12.7-178.273.6-26.3000113.7L158 W168 N196 N199L158-D162 WeakPolarHBondContact O-CA 3.47Å; L158-D162 VanDerWaalsContact O-CB 3.23Å; L158-D162 WeakPolarHBondContact O-CB 3.16Å; L158-D162 PolarHBondContact O-N 2.75Å; D162-W168 PolarHBondContact O-NE1 3.31Å; D162-N196 PolarHBondContact OD2-ND2 2.97Å; D162-N199 VanDerWaalsContact CB-ND2 3.35Å; D162-N199 WeakPolarHBondContact CB-ND2 3.3Å; D162-N199 VanDerWaalsContact CG-ND2 3.35Å; D162-N199 PolarHBondContact O-ND2 2.9Å; D162-N199 PolarHBondContact O-OD1 3.23Å; D162-N199 PolarHBondContact OD2-ND2 2.87Å
163R91.2Very high95.5Very high105 Ų10547.7 Ų47.740%0.39623%0.233SC..THydrogen-bonded Turntrans-102.29.4174.2-66.9-176.4-62.8-179.7-4.2112.9D161 F165 F200D161-R163 PolarHBondContact O-N 2.87Å; D161-R163 VanDerWaalsContact O-N 3.16Å; D161-R163 PolarHBondContact OD1-N 3.29Å; R163-F165 PolarHBondContact O-N 3.03Å; R163-F200 HydrophobicContact CB-CD1 4.41Å; R163-F200 HydrophobicContact CB-CE1 3.81Å; R163-F200 HydrophobicContact CG-CD1 4.01Å; R163-F200 HydrophobicContact CG-CE1 3.92Å
164N93.9Very high95.5Very high1 Ų146 Ų461%0.00522%0.224CC..  trans-71.688.4176.9-174.8-4000111P126 D161 H166 C167 W168P126-N164 PolarHBondContact O-ND2 3.37Å; D161-N164 HydrophobicContact CB-CB 3.99Å; D161-N164 WeakPolarHBondContact O-CB 3.31Å; D161-N164 PolarHBondContact O-N 3.4Å; D161-N164 PolarHBondContact OD1-N 2.95Å; N164-H166 PolarHBondContact O-N 2.91Å; N164-H166 VanDerWaalsContact O-N 3.12Å; N164-H166 WeakPolarHBondContact OD1-CB 3.23Å; N164-H166 PolarHBondContact OD1-CD2 3.07Å; N164-H166 VanDerWaalsContact OD1-CD2 3.29Å; N164-H166 PolarHBondContact OD1-N 3.34Å; N164-C167 HydrophobicContact CB-CB 4.17Å; N164-C167 WeakPolarHBondContact O-CB 3.42Å; N164-C167 PolarHBondContact O-N 3.46Å; N164-C167 PolarHBondContact OD1-N 3.43Å; N164-W168 VanDerWaalsContact O-CD1 3.32Å; N164-W168 PolarHBondContact O-N 2.91Å; N164-W168 VanDerWaalsContact O-N 3.11Å
165F93.6Very high95.5Very high82 Ų8246.5 Ų46.536%0.3623%0.227SC..Hα-helixtrans-59.1-26.1-178.769.3-95.6000113.3Y129 R163 C167 W168 D169Y129-F165 HydrophobicContact CE1-CE2 4.23Å; Y129-F165 AromaticContact CZ-CE2 3.85Å; Y129-F165 VanDerWaalsContact OH-CE2 3.3Å; Y129-F165 WeakPolarHBondContact OH-CE2 3.37Å; R163-F165 PolarHBondContact O-N 3.03Å; F165-C167 VanDerWaalsContact C-N 3.33Å; F165-C167 PolarHBondContact O-N 3.29Å; F165-W168 PolarHBondContact O-N 2.91Å; F165-D169 WeakPolarHBondContact O-CB 3.48Å; F165-D169 PolarHBondContact O-N 2.75Å
166H95.9Very high95.5Very high13 Ų1347.9 Ų47.96%0.0624%0.242CC..Hα-helixtrans-64.9-39.4174.2-52.7-89.3000111.9Y129 W132 N164 Y170Y129-H166 AromaticContact CD1-CE1 3.96Å; Y129-H166 AromaticContact CD1-ND1 3.53Å; Y129-H166 AromaticContact CD2-CE1 3.57Å; Y129-H166 AromaticContact CD2-ND1 3.97Å; Y129-H166 AromaticContact CE1-CE1 3.79Å; Y129-H166 AromaticContact CE1-ND1 3.51Å; Y129-H166 AromaticContact CE2-CE1 3.41Å; Y129-H166 VanDerWaalsContact CE2-CE1 3.41Å; Y129-H166 WeakPolarHBondContact CE2-CE1 3.06Å; Y129-H166 AromaticContact CE2-ND1 3.98Å; Y129-H166 AromaticContact CG-CE1 3.86Å; Y129-H166 AromaticContact CG-ND1 3.77Å; Y129-H166 AromaticContact CZ-CE1 3.53Å; Y129-H166 AromaticContact CZ-ND1 3.76Å; W132-H166 VanDerWaalsContact CD1-CB 3.44Å; W132-H166 HydrophobicContact CG-CB 4.34Å; N164-H166 PolarHBondContact O-N 2.91Å; N164-H166 VanDerWaalsContact O-N 3.12Å; N164-H166 WeakPolarHBondContact OD1-CB 3.23Å; N164-H166 PolarHBondContact OD1-CD2 3.07Å; N164-H166 VanDerWaalsContact OD1-CD2 3.29Å; N164-H166 PolarHBondContact OD1-N 3.34Å; H166-Y170 WeakPolarHBondContact O-CB 3.34Å; H166-Y170 PolarHBondContact O-N 3.44Å
167C97.5Very high95.5Very high0 Ų047.7 Ų47.70%024%0.235CC..Hα-helixtrans-70.6-39.2175.4-168.70000110.8W132 L158 N164 F165 Y170 R171W132-C167 HydrophobicContact CH2-CB 4.27Å; W132-C167 HydrophobicContact CZ2-CB 3.84Å; L158-C167 HydrophobicContact CD2-CB 3.85Å; L158-C167 HydrophobicContact CG-CB 4.39Å; N164-C167 HydrophobicContact CB-CB 4.17Å; N164-C167 WeakPolarHBondContact O-CB 3.42Å; N164-C167 PolarHBondContact O-N 3.46Å; N164-C167 PolarHBondContact OD1-N 3.43Å; F165-C167 VanDerWaalsContact C-N 3.33Å; F165-C167 PolarHBondContact O-N 3.29Å; C167-Y170 WeakPolarHBondContact O-CB 3.43Å; C167-Y170 PolarHBondContact O-N 3.5Å; C167-R171 WeakPolarHBondContact O-CB 3.2Å; C167-R171 PolarHBondContact O-N 2.89Å
168W96.9Very high95.6Very high5 Ų548.1 Ų48.12%0.01924%0.239CC..Hα-helixtrans-60.2-44.6172.1-76.9101.2000112.5L158 D162 N164 F165 Y170 R171 R172 F188 K192 S201 A202 Y205L158-W168 HydrophobicContact CD1-CD2 4.42Å; L158-W168 HydrophobicContact CD1-CZ2 4.5Å; L158-W168 HydrophobicContact CD2-CD2 4.29Å; L158-W168 HydrophobicContact CD2-CG 4.16Å; D162-W168 PolarHBondContact O-NE1 3.31Å; N164-W168 VanDerWaalsContact O-CD1 3.32Å; N164-W168 PolarHBondContact O-N 2.91Å; N164-W168 VanDerWaalsContact O-N 3.11Å; F165-W168 PolarHBondContact O-N 2.91Å; W168-Y170 VanDerWaalsContact C-N 3.31Å; W168-Y170 PolarHBondContact O-N 3.23Å; W168-R171 WeakPolarHBondContact O-CB 3.21Å; W168-R171 PolarHBondContact O-N 2.77Å; W168-R172 WeakPolarHBondContact O-CG 3.39Å; W168-R172 PolarHBondContact O-N 2.89Å; W168-F188 HydrophobicContact CH2-CD1 4.2Å; W168-F188 AromaticContact CH2-CE1 3.59Å; W168-F188 HydrophobicContact CH2-CE1 3.59Å; W168-F188 HydrophobicContact CZ3-CD1 4.08Å; W168-F188 AromaticContact CZ3-CE1 3.59Å; W168-F188 HydrophobicContact CZ3-CE1 3.59Å; W168-K192 HydrophobicContact CH2-CB 4.21Å; W168-K192 HydrophobicContact CH2-CG 4.02Å; W168-K192 HydrophobicContact CZ2-CB 4.43Å; W168-K192 HydrophobicContact CZ2-CG 4.32Å; W168-S201 VanDerWaalsContact CD1-CB 3.44Å; W168-A202 HydrophobicContact CH2-CB 4.11Å; W168-A202 HydrophobicContact CZ2-CB 4.02Å; W168-Y205 HydrophobicContact CE3-CD1 4.01Å; W168-Y205 HydrophobicContact CE3-CD2 4.47Å; W168-Y205 AromaticContact CE3-CG 3.93Å; W168-Y205 HydrophobicContact CE3-CG 3.93Å; W168-Y205 HydrophobicContact CH2-CD1 4.33Å; W168-Y205 AromaticContact CZ3-CD1 3.39Å; W168-Y205 HydrophobicContact CZ3-CD1 3.39Å; W168-Y205 AromaticContact CZ3-CE1 3.99Å; W168-Y205 HydrophobicContact CZ3-CE1 3.99Å; W168-Y205 AromaticContact CZ3-CG 3.71Å; W168-Y205 HydrophobicContact CZ3-CG 3.71Å
169D96Very high95.6Very high53 Ų5356.9 Ų56.928%0.28328%0.277SS..Hα-helixtrans-60.9-43.7175.8-65.9-13.2000111F165 R172 L173F165-D169 WeakPolarHBondContact O-CB 3.48Å; F165-D169 PolarHBondContact O-N 2.75Å; D169-R172 PolarHBondContact O-N 3.24Å; D169-R172 IonicContact OD1-CZ 2.72Å; D169-R172 IonicContact OD1-NH1 3.4Å; D169-R172 PolarHBondContact OD1-NH1 3.13Å; D169-R172 IonicContact OD1-NH2 3.24Å; D169-R172 PolarHBondContact OD1-NH2 3Å; D169-L173 WeakPolarHBondContact O-CG 3.38Å; D169-L173 PolarHBondContact O-N 3.49Å
170Y97.9Very high95.6Very high3 Ų353 Ų531%0.01226%0.256CS..Hα-helixtrans-62.2-43174.8-174.9-105.9000112.2W132 R135 E150 I154 H166 C167 W168 R172 L173 I174W132-Y170 HydrophobicContact CD2-CG 4.28Å; W132-Y170 AromaticContact CE3-CD1 3.54Å; W132-Y170 HydrophobicContact CE3-CD1 3.54Å; W132-Y170 AromaticContact CE3-CD2 3.73Å; W132-Y170 HydrophobicContact CE3-CD2 3.73Å; W132-Y170 HydrophobicContact CE3-CE1 4.05Å; W132-Y170 HydrophobicContact CE3-CE2 4.21Å; W132-Y170 AromaticContact CE3-CG 3.35Å; W132-Y170 HydrophobicContact CE3-CG 3.35Å; W132-Y170 HydrophobicContact CH2-CD1 4.35Å; W132-Y170 AromaticContact CZ3-CD1 3.31Å; W132-Y170 HydrophobicContact CZ3-CD1 3.31Å; W132-Y170 HydrophobicContact CZ3-CD2 4.36Å; W132-Y170 AromaticContact CZ3-CE1 3.72Å; W132-Y170 HydrophobicContact CZ3-CE1 3.72Å; W132-Y170 AromaticContact CZ3-CG 3.67Å; W132-Y170 HydrophobicContact CZ3-CG 3.67Å; R135-Y170 HydrophobicContact CB-CE2 4.29Å; R135-Y170 HydrophobicContact CG-CE2 4.34Å; R135-Y170 WeakPolarHBondContact CG-OH 3.43Å; E150-Y170 HydrophobicContact CG-CE1 4.36Å; E150-Y170 WeakPolarHBondContact OE1-CE1 3.08Å; E150-Y170 VanDerWaalsContact OE1-CZ 3.24Å; E150-Y170 PolarHBondContact OE1-OH 2.99Å; I154-Y170 HydrophobicContact CD1-CD1 3.87Å; I154-Y170 HydrophobicContact CD1-CE1 3.91Å; I154-Y170 HydrophobicContact CG1-CD1 3.82Å; I154-Y170 HydrophobicContact CG1-CE1 3.99Å; H166-Y170 WeakPolarHBondContact O-CB 3.34Å; H166-Y170 PolarHBondContact O-N 3.44Å; C167-Y170 WeakPolarHBondContact O-CB 3.43Å; C167-Y170 PolarHBondContact O-N 3.5Å; W168-Y170 VanDerWaalsContact C-N 3.31Å; W168-Y170 PolarHBondContact O-N 3.23Å; Y170-R172 VanDerWaalsContact C-N 3.31Å; Y170-R172 PolarHBondContact O-N 2.88Å; Y170-L173 WeakPolarHBondContact O-CB 3.42Å; Y170-L173 PolarHBondContact O-N 3.35Å; Y170-L173 VanDerWaalsContact O-N 3.13Å; Y170-I174 HydrophobicContact CD1-CG1 4Å; Y170-I174 HydrophobicContact CE1-CD1 4.16Å; Y170-I174 HydrophobicContact CE1-CG1 3.56Å; Y170-I174 HydrophobicContact CE2-CD1 4.1Å; Y170-I174 HydrophobicContact CE2-CG1 4.12Å; Y170-I174 HydrophobicContact CG-CG1 4.46Å; Y170-I174 WeakPolarHBondContact O-CG1 3.2Å; Y170-I174 PolarHBondContact O-N 3.47Å
171R97.5Very high95.7Very high2 Ų248 Ų481%0.00824%0.237CC..Hα-helixtrans-55.4-45.7174.3-175.9-178.8-178.198.20.8111.1I154 D155 C167 W168 L173 I174 C175 E185 F188I154-R171 HydrophobicContact CG2-CB 3.91Å; I154-R171 HydrophobicContact CG2-CG 4.05Å; D155-R171 IonicContact OD1-NH1 3.66Å; D155-R171 PolarHBondContact OD1-NH1 3.28Å; C167-R171 WeakPolarHBondContact O-CB 3.2Å; C167-R171 PolarHBondContact O-N 2.89Å; W168-R171 WeakPolarHBondContact O-CB 3.21Å; W168-R171 PolarHBondContact O-N 2.77Å; R171-L173 VanDerWaalsContact C-N 3.31Å; R171-L173 PolarHBondContact O-N 2.75Å; R171-I174 PolarHBondContact O-N 3.04Å; R171-C175 WeakPolarHBondContact O-CB 3.41Å; R171-C175 PolarHBondContact O-N 3.36Å; R171-C175 PolarHBondContact O-SG 3.15Å; R171-E185 IonicContact CZ-OE1 3.95Å; R171-E185 IonicContact CZ-OE2 3.53Å; R171-E185 IonicContact NE-OE1 3.23Å; R171-E185 IonicContact NE-OE2 3.54Å; R171-E185 PolarHBondContact NE-OE2 2.92Å; R171-E185 IonicContact NH2-OE1 3.06Å; R171-E185 PolarHBondContact NH2-OE1 3.22Å; R171-E185 IonicContact NH2-OE2 2.72Å; R171-E185 PolarHBondContact NH2-OE2 3.37Å; R171-F188 VanDerWaalsContact CZ-CE1 3.48Å; R171-F188 VanDerWaalsContact CZ-CZ 3.49Å; R171-F188 VanDerWaalsContact NH1-CZ 3.3Å
172R95.9Very high95.7Very high95 Ų9548.2 Ų48.236%0.35824%0.241SC..Hα-helixtrans-59.6-42.4177.8-64.9-161.7-57.7-78.93.4112.2W168 D169 Y170 C175 S176 Y205W168-R172 WeakPolarHBondContact O-CG 3.39Å; W168-R172 PolarHBondContact O-N 2.89Å; D169-R172 PolarHBondContact O-N 3.24Å; D169-R172 IonicContact OD1-CZ 2.72Å; D169-R172 IonicContact OD1-NH1 3.4Å; D169-R172 PolarHBondContact OD1-NH1 3.13Å; D169-R172 IonicContact OD1-NH2 3.24Å; D169-R172 PolarHBondContact OD1-NH2 3Å; Y170-R172 VanDerWaalsContact C-N 3.31Å; Y170-R172 PolarHBondContact O-N 2.88Å; R172-C175 PolarHBondContact O-N 3.42Å; R172-S176 WeakPolarHBondContact O-CB 3.43Å; R172-S176 PolarHBondContact O-N 3.46Å; R172-Y205 HydrophobicContact CG-CD2 4.2Å; R172-Y205 HydrophobicContact CG-CE2 3.54Å
173L97.4Very high95.8Very high70 Ų7051.7 Ų51.737%0.36626%0.256SS..Hα-helixtrans-63.6-42.9176.3-68.1173.5000112.1Y136 D169 Y170 R171 L177Y136-L173 HydrophobicContact CD1-CD1 4.16Å; Y136-L173 HydrophobicContact CD2-CB 3.69Å; Y136-L173 HydrophobicContact CD2-CD1 4.12Å; Y136-L173 HydrophobicContact CD2-CG 4.44Å; Y136-L173 HydrophobicContact CE1-CD1 4.48Å; Y136-L173 HydrophobicContact CE1-CD2 4.46Å; Y136-L173 HydrophobicContact CE2-CB 3.6Å; Y136-L173 HydrophobicContact CE2-CD1 4.46Å; Y136-L173 HydrophobicContact CE2-CD2 4.44Å; Y136-L173 HydrophobicContact CE2-CG 4.39Å; Y136-L173 HydrophobicContact CG-CB 4.38Å; Y136-L173 HydrophobicContact CG-CD1 3.95Å; D169-L173 WeakPolarHBondContact O-CG 3.38Å; D169-L173 PolarHBondContact O-N 3.49Å; Y170-L173 WeakPolarHBondContact O-CB 3.42Å; Y170-L173 PolarHBondContact O-N 3.35Å; Y170-L173 VanDerWaalsContact O-N 3.13Å; R171-L173 VanDerWaalsContact C-N 3.31Å; R171-L173 PolarHBondContact O-N 2.75Å; L173-L177 WeakPolarHBondContact O-CB 3.42Å; L173-L177 PolarHBondContact O-N 3Å
174I98Very high96Very high0 Ų050.5 Ų50.50%026%0.255CS..Hα-helixtrans-70.1-39.1177.9-63.2-55.4000111.8Y136 F139 F147 E150 F151 I154 Y170 R171 S176 L177 A178Y136-I174 HydrophobicContact CD2-CD1 4.2Å; F139-I174 HydrophobicContact CD1-CD1 3.62Å; F139-I174 HydrophobicContact CE1-CD1 4.04Å; F139-I174 HydrophobicContact CG-CD1 4.33Å; F147-I174 HydrophobicContact CD1-CG2 4.17Å; E150-I174 HydrophobicContact CG-CD1 4.32Å; E150-I174 HydrophobicContact CG-CG1 4.31Å; E150-I174 HydrophobicContact CG-CG2 4.31Å; F151-I174 HydrophobicContact CD1-CG2 4.47Å; F151-I174 HydrophobicContact CE1-CG2 3.92Å; F151-I174 HydrophobicContact CE2-CG2 4.3Å; F151-I174 HydrophobicContact CZ-CG2 3.82Å; I154-I174 HydrophobicContact CD1-CB 4.11Å; I154-I174 HydrophobicContact CD1-CG1 4.08Å; I154-I174 HydrophobicContact CD1-CG2 4.24Å; Y170-I174 HydrophobicContact CD1-CG1 4Å; Y170-I174 HydrophobicContact CE1-CD1 4.16Å; Y170-I174 HydrophobicContact CE1-CG1 3.56Å; Y170-I174 HydrophobicContact CE2-CD1 4.1Å; Y170-I174 HydrophobicContact CE2-CG1 4.12Å; Y170-I174 HydrophobicContact CG-CG1 4.46Å; Y170-I174 WeakPolarHBondContact O-CG1 3.2Å; Y170-I174 PolarHBondContact O-N 3.47Å; R171-I174 PolarHBondContact O-N 3.04Å; I174-S176 VanDerWaalsContact C-N 3.34Å; I174-S176 PolarHBondContact O-N 2.86Å; I174-L177 PolarHBondContact O-N 3.16Å; I174-A178 WeakPolarHBondContact O-CB 3.32Å; I174-A178 PolarHBondContact O-N 3.33Å
175C97Very high96.1Very high10 Ų1050.6 Ų50.67%0.06826%0.256CS..Hα-helixtrans-60.8-44.3174.2-67.50000111.5R171 R172 A178 K179 R180 E185R171-C175 WeakPolarHBondContact O-CB 3.41Å; R171-C175 PolarHBondContact O-N 3.36Å; R171-C175 PolarHBondContact O-SG 3.15Å; R172-C175 PolarHBondContact O-N 3.42Å; C175-A178 PolarHBondContact O-N 3.13Å; C175-K179 PolarHBondContact O-N 2.89Å; C175-R180 HydrophobicContact CB-CB 4.1Å; C175-R180 PolarHBondContact O-N 3.36Å; C175-E185 PolarHBondContact SG-OE2 3.34Å; C175-E185 VanDerWaalsContact SG-OE2 3.39Å
176S95.9Very high96.2Very high93 Ų9347.3 Ų47.365%0.6524%0.242SC*.Hα-helixtrans-61.2-45.7175.1179.60000111.8R172 I174 A178 K179R172-S176 WeakPolarHBondContact O-CB 3.43Å; R172-S176 PolarHBondContact O-N 3.46Å; I174-S176 VanDerWaalsContact C-N 3.34Å; I174-S176 PolarHBondContact O-N 2.86Å; S176-A178 PolarHBondContact O-N 3.07Å; S176-K179 PolarHBondContact O-N 3.3Å
177L96.8Very high96.3Very high60 Ų6053.1 Ų53.131%0.31427%0.269SS..Hα-helixtrans-64.6-40178.2-176.465000112.5F139 F147 L173 I174 K179F139-L177 HydrophobicContact CD1-CD2 3.88Å; F139-L177 HydrophobicContact CE1-CD2 4.25Å; F147-L177 HydrophobicContact CE1-CB 4.38Å; F147-L177 HydrophobicContact CE1-CD2 4.13Å; F147-L177 HydrophobicContact CE1-CG 4.03Å; F147-L177 HydrophobicContact CZ-CD2 4.46Å; F147-L177 HydrophobicContact CZ-CG 4.12Å; L173-L177 WeakPolarHBondContact O-CB 3.42Å; L173-L177 PolarHBondContact O-N 3Å; I174-L177 PolarHBondContact O-N 3.16Å; L177-K179 PolarHBondContact O-N 3.32Å
178A96.6Very high96.2Very high32 Ų3254.3 Ų54.326%0.26427%0.274SS..Hα-helixtrans-75.2-9.8177.100000113.3F147 F151 I174 C175 S176 R180F147-A178 HydrophobicContact CD1-CB 3.62Å; F147-A178 HydrophobicContact CE1-CB 3.61Å; F147-A178 HydrophobicContact CE2-CB 4.49Å; F147-A178 HydrophobicContact CG-CB 4.08Å; F147-A178 HydrophobicContact CZ-CB 4.08Å; F151-A178 HydrophobicContact CE2-CB 4.22Å; F151-A178 HydrophobicContact CZ-CB 4.29Å; I174-A178 WeakPolarHBondContact O-CB 3.32Å; I174-A178 PolarHBondContact O-N 3.33Å; C175-A178 PolarHBondContact O-N 3.13Å; S176-A178 PolarHBondContact O-N 3.07Å; A178-R180 PolarHBondContact O-N 2.94Å
179K95.3Very high96.2Very high186 Ų18654 Ų5481%0.80927%0.273SS*.THydrogen-bonded Turntrans50.441.8-168.2-56.9-179.4179.2-179.40111.9C175 S176 L177C175-K179 PolarHBondContact O-N 2.89Å; S176-K179 PolarHBondContact O-N 3.3Å; L177-K179 PolarHBondContact O-N 3.32Å
180R94.7Very high96.1Very high70 Ų7055.6 Ų55.626%0.26428%0.279SS..  trans-61.8135.7-179.5-170.9170.3-175.3127.211.2110C175 A178 E184 E185C175-R180 HydrophobicContact CB-CB 4.1Å; C175-R180 PolarHBondContact O-N 3.36Å; A178-R180 PolarHBondContact O-N 2.94Å; R180-E184 IonicContact CZ-OE2 3.81Å; R180-E184 VanDerWaalsContact CZ-OE2 3.24Å; R180-E184 IonicContact NE-OE2 3.24Å; R180-E184 PolarHBondContact NE-OE2 3.4Å; R180-E184 VanDerWaalsContact NE-OE2 3.15Å; R180-E184 IonicContact NH2-OE2 3.41Å; R180-E184 PolarHBondContact NH2-OE2 2.92Å; R180-E185 WeakPolarHBondContact CD-OE1 3.48Å; R180-E185 HydrophobicContact CG-CG 4.43Å; R180-E185 IonicContact CZ-OE1 3.01Å; R180-E185 IonicContact NE-OE1 3.92Å; R180-E185 PolarHBondContact NE-OE1 3.24Å
181P94.9Very high96Very high57 Ų5761.6 Ų61.637%0.3731%0.305SS..  trans-57.4128.6177.2-24.634.9000110.7E183 E184P181-E183 PolarHBondContact O-N 3.09Å; P181-E184 HydrophobicContact CB-CG 4.25Å; P181-E184 HydrophobicContact CG-CG 4.46Å; P181-E184 PolarHBondContact O-N 3.28Å
182P93.5Very high95.9Very high42 Ų4262.7 Ų62.727%0.27331%0.31SS..Hα-helixtrans-63.6-25.9-178.1-17.929.4000113E184 E185 L186 L213P182-E184 PolarHBondContact O-N 3.07Å; P182-E185 WeakPolarHBondContact O-CB 3.47Å; P182-E185 PolarHBondContact O-N 2.85Å; P182-E185 VanDerWaalsContact O-N 3.1Å; P182-L186 PolarHBondContact O-N 3.44Å; P182-L213 HydrophobicContact CB-CD1 4.1Å; P182-L213 HydrophobicContact CB-CD2 3.71Å; P182-L213 HydrophobicContact CB-CG 3.98Å; P182-L213 HydrophobicContact CG-CD2 4.35Å
183E95.4Very high95.8Very high106 Ų10658.3 Ų58.350%0.49529%0.293SS..Hα-helixtrans-60.3-41.8175.1-66.975.2-166.600112.2P181 E185 L186 E187 L213P181-E183 PolarHBondContact O-N 3.09Å; E183-E185 PolarHBondContact O-N 2.89Å; E183-L186 WeakPolarHBondContact O-CB 3.35Å; E183-L186 PolarHBondContact O-N 3.13Å; E183-E187 PolarHBondContact O-N 3.37Å; E183-L213 HydrophobicContact CG-CD2 4.34Å; E183-L213 VanDerWaalsContact OE1-CD2 3.25Å; E183-L213 WeakPolarHBondContact OE1-CD2 3.29Å
184E95.3Very high95.6Very high80 Ų8058.9 Ų58.937%0.37430%0.297SS..Hα-helixtrans-63.3-31.9175.2-68.1-176.4-151.900111.8R180 P181 P182 F188R180-E184 IonicContact CZ-OE2 3.81Å; R180-E184 VanDerWaalsContact CZ-OE2 3.24Å; R180-E184 IonicContact NE-OE2 3.24Å; R180-E184 PolarHBondContact NE-OE2 3.4Å; R180-E184 VanDerWaalsContact NE-OE2 3.15Å; R180-E184 IonicContact NH2-OE2 3.41Å; R180-E184 PolarHBondContact NH2-OE2 2.92Å; P181-E184 HydrophobicContact CB-CG 4.25Å; P181-E184 HydrophobicContact CG-CG 4.46Å; P181-E184 PolarHBondContact O-N 3.28Å; P182-E184 PolarHBondContact O-N 3.07Å; E184-F188 WeakPolarHBondContact O-CB 3.37Å; E184-F188 PolarHBondContact O-N 3.08Å
185E95.8Very high95.4Very high4 Ų463.9 Ų63.92%0.01932%0.323CS..Hα-helixtrans-76.7-30.6177.7-70.6-60111.500112.4R171 C175 R180 P182 E183 F188 S189 Y205 M209R171-E185 IonicContact CZ-OE1 3.95Å; R171-E185 IonicContact CZ-OE2 3.53Å; R171-E185 IonicContact NE-OE1 3.23Å; R171-E185 IonicContact NE-OE2 3.54Å; R171-E185 PolarHBondContact NE-OE2 2.92Å; R171-E185 IonicContact NH2-OE1 3.06Å; R171-E185 PolarHBondContact NH2-OE1 3.22Å; R171-E185 IonicContact NH2-OE2 2.72Å; R171-E185 PolarHBondContact NH2-OE2 3.37Å; C175-E185 PolarHBondContact SG-OE2 3.34Å; C175-E185 VanDerWaalsContact SG-OE2 3.39Å; R180-E185 WeakPolarHBondContact CD-OE1 3.48Å; R180-E185 HydrophobicContact CG-CG 4.43Å; R180-E185 IonicContact CZ-OE1 3.01Å; R180-E185 IonicContact NE-OE1 3.92Å; R180-E185 PolarHBondContact NE-OE1 3.24Å; P182-E185 WeakPolarHBondContact O-CB 3.47Å; P182-E185 PolarHBondContact O-N 2.85Å; P182-E185 VanDerWaalsContact O-N 3.1Å; E183-E185 PolarHBondContact O-N 2.89Å; E185-F188 PolarHBondContact O-N 2.76Å; E185-S189 PolarHBondContact O-N 3.27Å; E185-Y205 HydrophobicContact CB-CE1 4.08Å; E185-Y205 WeakPolarHBondContact OE2-CE1 3.3Å; E185-Y205 PolarHBondContact OE2-OH 3.44Å; E185-M209 HydrophobicContact CB-SD 3.94Å
186L96.6Very high95.1Very high13 Ų1366 Ų667%0.06833%0.334CS..Hα-helixtrans-64.8-47.1169.3-178.861.3000110.8P182 E183 F188 S189 E190 R206 M209 L210 L213P182-L186 PolarHBondContact O-N 3.44Å; E183-L186 WeakPolarHBondContact O-CB 3.35Å; E183-L186 PolarHBondContact O-N 3.13Å; L186-F188 VanDerWaalsContact C-N 3.32Å; L186-F188 PolarHBondContact O-N 2.94Å; L186-S189 WeakPolarHBondContact O-CB 3.48Å; L186-S189 PolarHBondContact O-N 3.15Å; L186-S189 VanDerWaalsContact O-N 3.16Å; L186-S189 PolarHBondContact O-OG 3.18Å; L186-E190 PolarHBondContact O-N 2.95Å; L186-R206 HydrophobicContact CD1-CG 4.09Å; L186-M209 HydrophobicContact CB-CB 4.39Å; L186-M209 HydrophobicContact CD1-CB 4.1Å; L186-L210 HydrophobicContact CD1-CD2 3.59Å; L186-L210 HydrophobicContact CD1-CG 3.81Å; L186-L210 HydrophobicContact CD2-CD2 3.82Å; L186-L210 HydrophobicContact CG-CD2 4.37Å; L186-L213 HydrophobicContact CB-CD1 3.88Å; L186-L213 HydrophobicContact CD2-CD1 3.98Å
187E96.7Very high94.8Very high134 Ų13465.4 Ų65.463%0.62632%0.32SS*.Hα-helixtrans-59.9-41.5174.5-70.2177.8-173.800111.9E183 S189 E190 K191E183-E187 PolarHBondContact O-N 3.37Å; E187-S189 VanDerWaalsContact C-N 3.34Å; E187-S189 PolarHBondContact O-N 3.15Å; E187-E190 WeakPolarHBondContact O-CB 3.09Å; E187-E190 PolarHBondContact O-N 3.39Å; E187-K191 PolarHBondContact O-N 3.46Å
188F96.2Very high94.5Very high25 Ų2564.3 Ų64.311%0.1132%0.317CS..Hα-helixtrans-60.3-43.8174.5177.6-97.9000112L158 W168 R171 E184 E185 L186 E190 K191 K192 Y205L158-F188 HydrophobicContact CD1-CE1 4.25Å; L158-F188 HydrophobicContact CD1-CZ 3.92Å; W168-F188 HydrophobicContact CH2-CD1 4.2Å; W168-F188 AromaticContact CH2-CE1 3.59Å; W168-F188 HydrophobicContact CH2-CE1 3.59Å; W168-F188 HydrophobicContact CZ3-CD1 4.08Å; W168-F188 AromaticContact CZ3-CE1 3.59Å; W168-F188 HydrophobicContact CZ3-CE1 3.59Å; R171-F188 VanDerWaalsContact CZ-CE1 3.48Å; R171-F188 VanDerWaalsContact CZ-CZ 3.49Å; R171-F188 VanDerWaalsContact NH1-CZ 3.3Å; E184-F188 WeakPolarHBondContact O-CB 3.37Å; E184-F188 PolarHBondContact O-N 3.08Å; E185-F188 PolarHBondContact O-N 2.76Å; L186-F188 VanDerWaalsContact C-N 3.32Å; L186-F188 PolarHBondContact O-N 2.94Å; F188-E190 VanDerWaalsContact C-N 3.3Å; F188-E190 PolarHBondContact O-N 2.97Å; F188-K191 PolarHBondContact O-N 3.4Å; F188-K192 HydrophobicContact CD1-CG 4.33Å; F188-K192 HydrophobicContact CE1-CG 3.88Å; F188-K192 HydrophobicContact CE2-CG 4.3Å; F188-K192 HydrophobicContact CZ-CD 4.29Å; F188-K192 VanDerWaalsContact CZ-CE 3.44Å; F188-K192 HydrophobicContact CZ-CG 3.87Å; F188-K192 WeakPolarHBondContact O-CG 2.98Å; F188-K192 PolarHBondContact O-N 3.37Å; F188-Y205 HydrophobicContact CD1-CE1 4.47Å
189S96Very high94.4Very high0 Ų062.8 Ų62.80%030%0.304CS..Hα-helixtrans-61.9-40.1177.479.20000111.7E185 L186 E187 K192 V193 R206E185-S189 PolarHBondContact O-N 3.27Å; L186-S189 WeakPolarHBondContact O-CB 3.48Å; L186-S189 PolarHBondContact O-N 3.15Å; L186-S189 VanDerWaalsContact O-N 3.16Å; L186-S189 PolarHBondContact O-OG 3.18Å; E187-S189 VanDerWaalsContact C-N 3.34Å; E187-S189 PolarHBondContact O-N 3.15Å; S189-K192 PolarHBondContact O-N 3.06Å; S189-V193 WeakPolarHBondContact O-CG2 3.46Å; S189-V193 PolarHBondContact O-N 3.49Å; S189-R206 WeakPolarHBondContact OG-CB 3.26Å
190E95.1Very high94.3Very high86 Ų8657.7 Ų57.740%0.40228%0.282SS..Hα-helixtrans-62.6-48177.3-166.3167.2138.800111.7L186 E187 F188 K192 V193 N194 R206L186-E190 PolarHBondContact O-N 2.95Å; E187-E190 WeakPolarHBondContact O-CB 3.09Å; E187-E190 PolarHBondContact O-N 3.39Å; F188-E190 VanDerWaalsContact C-N 3.3Å; F188-E190 PolarHBondContact O-N 2.97Å; E190-K192 VanDerWaalsContact C-N 3.28Å; E190-K192 PolarHBondContact O-N 3.32Å; E190-V193 PolarHBondContact O-N 2.93Å; E190-N194 WeakPolarHBondContact O-CB 3.31Å; E190-N194 PolarHBondContact O-N 3.46Å; E190-N194 PolarHBondContact O-ND2 3.48Å; E190-R206 VanDerWaalsContact CB-NH1 3.32Å; E190-R206 IonicContact OE2-CZ 3.94Å; E190-R206 IonicContact OE2-NH1 3.65Å; E190-R206 PolarHBondContact OE2-NH1 2.87Å; E190-R206 IonicContact OE2-NH2 2.74Å; E190-R206 PolarHBondContact OE2-NH2 3.48Å
191K96.1Very high94.4Very high128 Ų12854.7 Ų54.756%0.55727%0.272SS*.Hα-helixtrans-55.7-46.2175.2-178.4-179.5176.3-178.50111E187 F188 V193 N194 D195E187-K191 PolarHBondContact O-N 3.46Å; F188-K191 PolarHBondContact O-N 3.4Å; K191-V193 PolarHBondContact O-N 3.47Å; K191-N194 PolarHBondContact O-N 3.25Å; K191-D195 WeakPolarHBondContact O-CB 3.36Å; K191-D195 PolarHBondContact O-N 3.06Å
192K95.6Very high94.4Very high26 Ų2652 Ų5211%0.11326%0.255CS..Hα-helixtrans-66.9-35.4-179.9-71-64-172.7178.60113.4W168 F188 S189 E190 N196 A202W168-K192 HydrophobicContact CH2-CB 4.21Å; W168-K192 HydrophobicContact CH2-CG 4.02Å; W168-K192 HydrophobicContact CZ2-CB 4.43Å; W168-K192 HydrophobicContact CZ2-CG 4.32Å; F188-K192 HydrophobicContact CD1-CG 4.33Å; F188-K192 HydrophobicContact CE1-CG 3.88Å; F188-K192 HydrophobicContact CE2-CG 4.3Å; F188-K192 HydrophobicContact CZ-CD 4.29Å; F188-K192 VanDerWaalsContact CZ-CE 3.44Å; F188-K192 HydrophobicContact CZ-CG 3.87Å; F188-K192 WeakPolarHBondContact O-CG 2.98Å; F188-K192 PolarHBondContact O-N 3.37Å; S189-K192 PolarHBondContact O-N 3.06Å; E190-K192 VanDerWaalsContact C-N 3.28Å; E190-K192 PolarHBondContact O-N 3.32Å; K192-N196 PolarHBondContact O-N 2.95Å; K192-A202 HydrophobicContact CB-CB 3.7Å
193V94Very high94.6Very high2 Ų250.1 Ų50.11%0.01224%0.242CC..Hα-helixtrans-65-45.31721670000110.6S189 E190 K191 N196 F197 A202 W203S189-V193 WeakPolarHBondContact O-CG2 3.46Å; S189-V193 PolarHBondContact O-N 3.49Å; E190-V193 PolarHBondContact O-N 2.93Å; K191-V193 PolarHBondContact O-N 3.47Å; V193-N196 CarbonylContact O-C 3.45Å; V193-N196 PolarHBondContact O-N 2.85Å; V193-F197 HydrophobicContact CG1-CD1 4.19Å; V193-F197 HydrophobicContact CG1-CE1 4.12Å; V193-F197 WeakPolarHBondContact O-CA 3.43Å; V193-F197 WeakPolarHBondContact O-CD2 3.28Å; V193-F197 PolarHBondContact O-N 2.94Å; V193-A202 HydrophobicContact CG2-CB 3.81Å; V193-W203 HydrophobicContact CG1-CD2 4.23Å; V193-W203 HydrophobicContact CG1-CE3 4.43Å; V193-W203 HydrophobicContact CG1-CH2 3.67Å; V193-W203 HydrophobicContact CG1-CZ2 3.38Å; V193-W203 HydrophobicContact CG1-CZ3 4.18Å; V193-W203 HydrophobicContact CG2-CD2 3.9Å; V193-W203 HydrophobicContact CG2-CE3 4.18Å; V193-W203 HydrophobicContact CG2-CG 4.2Å
194N92.7Very high94.6Very high83 Ų8349.9 Ų49.944%0.44424%0.241SC..Hα-helixtrans-67.9-35.5179.6-71.1-28.6000112.9E190 K191 N196E190-N194 WeakPolarHBondContact O-CB 3.31Å; E190-N194 PolarHBondContact O-N 3.46Å; E190-N194 PolarHBondContact O-ND2 3.48Å; K191-N194 PolarHBondContact O-N 3.25Å; N194-N196 VanDerWaalsContact C-N 3.32Å
195D92.3Very high94.6Very high105 Ų10546.4 Ų46.456%0.56122%0.224SC*.Hα-helixtrans-65.3-36.1174.8-71.8-17.7000111.3K191K191-D195 WeakPolarHBondContact O-CB 3.36Å; K191-D195 PolarHBondContact O-N 3.06Å
196N90.9Very high94.7Very high53 Ų5346.9 Ų46.928%0.28323%0.226SC..  trans-154101.2178.6179.313.3000111.6D162 K192 V193 N194 S198 N199D162-N196 PolarHBondContact OD2-ND2 2.97Å; K192-N196 PolarHBondContact O-N 2.95Å; V193-N196 CarbonylContact O-C 3.45Å; V193-N196 PolarHBondContact O-N 2.85Å; N194-N196 VanDerWaalsContact C-N 3.32Å; N196-S198 PolarHBondContact O-N 2.83Å; N196-S198 VanDerWaalsContact O-N 3.17Å; N196-S198 WeakPolarHBondContact OD1-CB 3.29Å; N196-S198 PolarHBondContact OD1-N 2.89Å; N196-S198 VanDerWaalsContact OD1-N 3.08Å; N196-N199 HydrophobicContact CB-CB 4.2Å; N196-N199 WeakPolarHBondContact O-CB 3.49Å; N196-N199 PolarHBondContact O-N 3.31Å
197F89.9Confident94.7Very high81 Ų8146.6 Ų46.636%0.35523%0.225SC..THydrogen-bonded Turntrans-63.6-22.1179.7-82-97.5000113.3V193 N199 W203 L234V193-F197 HydrophobicContact CG1-CD1 4.19Å; V193-F197 HydrophobicContact CG1-CE1 4.12Å; V193-F197 WeakPolarHBondContact O-CA 3.43Å; V193-F197 WeakPolarHBondContact O-CD2 3.28Å; V193-F197 PolarHBondContact O-N 2.94Å; F197-N199 PolarHBondContact O-N 3.36Å; F197-W203 AromaticContact CD1-CZ2 3.9Å; F197-W203 HydrophobicContact CD1-CZ2 3.9Å; F197-W203 HydrophobicContact CE1-CZ2 4.35Å; F197-W203 PolarHBondContact O-NE1 3.32Å; F197-L234 HydrophobicContact CE1-CD1 4.47Å
198S91.9Very high94.6Very high37 Ų3745.7 Ų45.726%0.25922%0.219SC..THydrogen-bonded Turntrans-79.22.8173.3-59.60000113.7N196 F200 D245 S247N196-S198 PolarHBondContact O-N 2.83Å; N196-S198 VanDerWaalsContact O-N 3.17Å; N196-S198 WeakPolarHBondContact OD1-CB 3.29Å; N196-S198 PolarHBondContact OD1-N 2.89Å; N196-S198 VanDerWaalsContact OD1-N 3.08Å; S198-F200 PolarHBondContact O-N 3.09Å; S198-D245 WeakPolarHBondContact CA-OD2 3.24Å; S198-D245 WeakPolarHBondContact CB-OD2 3.35Å; S198-D245 PolarHBondContact OG-OD2 3.44Å; S198-S247 PolarHBondContact O-OG 3.36Å
199N93.6Very high94.6Very high0 Ų045.2 Ų45.20%022%0.217CC..  trans-79.382.7179.6-170.3-19.6000111.4D162 N196 F197 S201 A202 W203D162-N199 VanDerWaalsContact CB-ND2 3.35Å; D162-N199 WeakPolarHBondContact CB-ND2 3.3Å; D162-N199 VanDerWaalsContact CG-ND2 3.35Å; D162-N199 PolarHBondContact O-ND2 2.9Å; D162-N199 PolarHBondContact O-OD1 3.23Å; D162-N199 PolarHBondContact OD2-ND2 2.87Å; N196-N199 HydrophobicContact CB-CB 4.2Å; N196-N199 WeakPolarHBondContact O-CB 3.49Å; N196-N199 PolarHBondContact O-N 3.31Å; F197-N199 PolarHBondContact O-N 3.36Å; N199-S201 PolarHBondContact O-N 2.67Å; N199-S201 VanDerWaalsContact O-N 3.07Å; N199-S201 WeakPolarHBondContact OD1-CB 3.44Å; N199-S201 PolarHBondContact OD1-N 2.64Å; N199-A202 HydrophobicContact CB-CB 4.01Å; N199-A202 PolarHBondContact O-N 3.03Å; N199-A202 PolarHBondContact OD1-N 3.08Å; N199-W203 PolarHBondContact O-N 2.72Å
200F93.5Very high94.6Very high79 Ų7945.2 Ų45.235%0.34622%0.217SC..Hα-helixtrans-55-27.9176.482.2-93.3000114R163 S198 H204R163-F200 HydrophobicContact CB-CD1 4.41Å; R163-F200 HydrophobicContact CB-CE1 3.81Å; R163-F200 HydrophobicContact CG-CD1 4.01Å; R163-F200 HydrophobicContact CG-CE1 3.92Å; S198-F200 PolarHBondContact O-N 3.09Å; F200-H204 WeakPolarHBondContact O-CB 3.34Å; F200-H204 PolarHBondContact O-N 2.92Å
201S95.8Very high94.6Very high7 Ų743.2 Ų43.25%0.04921%0.213CC..Hα-helixtrans-72.7-38.3179.7-62.60000111.1W168 N199 H204 Y205W168-S201 VanDerWaalsContact CD1-CB 3.44Å; N199-S201 PolarHBondContact O-N 2.67Å; N199-S201 VanDerWaalsContact O-N 3.07Å; N199-S201 WeakPolarHBondContact OD1-CB 3.44Å; N199-S201 PolarHBondContact OD1-N 2.64Å; S201-H204 PolarHBondContact O-N 3.27Å; S201-Y205 WeakPolarHBondContact O-CB 3.24Å; S201-Y205 PolarHBondContact O-N 3.44Å
202A96.4Very high94.4Very high0 Ų043.1 Ų43.10%022%0.215CC..Hα-helixtrans-65.4-44.6173.800000111.5W168 K192 V193 N199 H204 Y205 R206W168-A202 HydrophobicContact CH2-CB 4.11Å; W168-A202 HydrophobicContact CZ2-CB 4.02Å; K192-A202 HydrophobicContact CB-CB 3.7Å; V193-A202 HydrophobicContact CG2-CB 3.81Å; N199-A202 HydrophobicContact CB-CB 4.01Å; N199-A202 PolarHBondContact O-N 3.03Å; N199-A202 PolarHBondContact OD1-N 3.08Å; A202-H204 PolarHBondContact O-N 2.77Å; A202-Y205 PolarHBondContact O-N 3.44Å; A202-R206 WeakPolarHBondContact O-CB 3.31Å; A202-R206 PolarHBondContact O-N 3.31Å
203W96.6Very high94.4Very high4 Ų443.9 Ų43.92%0.01522%0.22CC..Hα-helixtrans-59.2-45.7173.9-73.8110.3000112.9V193 F197 N199 Y205 R206 S207 L234 C248 Y251V193-W203 HydrophobicContact CG1-CD2 4.23Å; V193-W203 HydrophobicContact CG1-CE3 4.43Å; V193-W203 HydrophobicContact CG1-CH2 3.67Å; V193-W203 HydrophobicContact CG1-CZ2 3.38Å; V193-W203 HydrophobicContact CG1-CZ3 4.18Å; V193-W203 HydrophobicContact CG2-CD2 3.9Å; V193-W203 HydrophobicContact CG2-CE3 4.18Å; V193-W203 HydrophobicContact CG2-CG 4.2Å; F197-W203 AromaticContact CD1-CZ2 3.9Å; F197-W203 HydrophobicContact CD1-CZ2 3.9Å; F197-W203 HydrophobicContact CE1-CZ2 4.35Å; F197-W203 PolarHBondContact O-NE1 3.32Å; N199-W203 PolarHBondContact O-N 2.72Å; W203-Y205 VanDerWaalsContact C-N 3.31Å; W203-Y205 PolarHBondContact O-N 3.4Å; W203-R206 PolarHBondContact O-N 3.41Å; W203-S207 PolarHBondContact O-N 3.32Å; W203-L234 HydrophobicContact CH2-CD2 4.19Å; W203-L234 HydrophobicContact CH2-CG 4.03Å; W203-L234 HydrophobicContact CZ3-CD2 4.14Å; W203-L234 HydrophobicContact CZ3-CG 4.38Å; W203-C248 VanDerWaalsContact CZ2-SG 3.54Å; W203-Y251 HydrophobicContact CB-CD2 3.97Å; W203-Y251 HydrophobicContact CB-CG 4.41Å; W203-Y251 HydrophobicContact CD2-CD2 4.27Å; W203-Y251 HydrophobicContact CD2-CG 4.11Å; W203-Y251 AromaticContact CE3-CD1 3.54Å; W203-Y251 HydrophobicContact CE3-CD1 3.54Å; W203-Y251 AromaticContact CE3-CD2 3.53Å; W203-Y251 HydrophobicContact CE3-CD2 3.53Å; W203-Y251 AromaticContact CE3-CE1 3.77Å; W203-Y251 HydrophobicContact CE3-CE1 3.77Å; W203-Y251 AromaticContact CE3-CE2 3.78Å; W203-Y251 HydrophobicContact CE3-CE2 3.78Å; W203-Y251 AromaticContact CE3-CG 3.38Å; W203-Y251 HydrophobicContact CE3-CG 3.38Å; W203-Y251 AromaticContact CE3-CZ 3.88Å; W203-Y251 AromaticContact CZ3-CD1 3.56Å; W203-Y251 HydrophobicContact CZ3-CD1 3.56Å; W203-Y251 HydrophobicContact CZ3-CD2 4.36Å; W203-Y251 AromaticContact CZ3-CE1 3.61Å; W203-Y251 HydrophobicContact CZ3-CE1 3.61Å; W203-Y251 HydrophobicContact CZ3-CE2 4.41Å; W203-Y251 AromaticContact CZ3-CG 3.93Å; W203-Y251 HydrophobicContact CZ3-CG 3.93Å; W203-Y251 WeakPolarHBondContact O-CD2 3.49Å; W203-Y251 WeakPolarHBondContact O-CE2 3.36Å
204H95.6Very high94.5Very high100 Ų10048 Ų4846%0.46324%0.235SC..Hα-helixtrans-63.2-39.2175.9-178.273.9000111.9F200 S201 A202 S207 K208F200-H204 WeakPolarHBondContact O-CB 3.34Å; F200-H204 PolarHBondContact O-N 2.92Å; S201-H204 PolarHBondContact O-N 3.27Å; A202-H204 PolarHBondContact O-N 2.77Å; H204-S207 PolarHBondContact O-OG 2.99Å; H204-K208 WeakPolarHBondContact O-CG 3.3Å; H204-K208 PolarHBondContact O-N 3.07Å
205Y96Very high94.5Very high8 Ų847.2 Ų47.23%0.03124%0.235CC..Hα-helixtrans-66-44.4176.7-169.5-124.3000111.5W168 R172 E185 F188 S201 A202 W203 S207 K208 M209W168-Y205 HydrophobicContact CE3-CD1 4.01Å; W168-Y205 HydrophobicContact CE3-CD2 4.47Å; W168-Y205 AromaticContact CE3-CG 3.93Å; W168-Y205 HydrophobicContact CE3-CG 3.93Å; W168-Y205 HydrophobicContact CH2-CD1 4.33Å; W168-Y205 AromaticContact CZ3-CD1 3.39Å; W168-Y205 HydrophobicContact CZ3-CD1 3.39Å; W168-Y205 AromaticContact CZ3-CE1 3.99Å; W168-Y205 HydrophobicContact CZ3-CE1 3.99Å; W168-Y205 AromaticContact CZ3-CG 3.71Å; W168-Y205 HydrophobicContact CZ3-CG 3.71Å; R172-Y205 HydrophobicContact CG-CD2 4.2Å; R172-Y205 HydrophobicContact CG-CE2 3.54Å; E185-Y205 HydrophobicContact CB-CE1 4.08Å; E185-Y205 WeakPolarHBondContact OE2-CE1 3.3Å; E185-Y205 PolarHBondContact OE2-OH 3.44Å; F188-Y205 HydrophobicContact CD1-CE1 4.47Å; S201-Y205 WeakPolarHBondContact O-CB 3.24Å; S201-Y205 PolarHBondContact O-N 3.44Å; A202-Y205 PolarHBondContact O-N 3.44Å; W203-Y205 VanDerWaalsContact C-N 3.31Å; W203-Y205 PolarHBondContact O-N 3.4Å; Y205-S207 VanDerWaalsContact C-N 3.35Å; Y205-S207 PolarHBondContact O-N 2.82Å; Y205-K208 PolarHBondContact O-N 3.25Å; Y205-M209 HydrophobicContact CD1-CG 4.34Å; Y205-M209 HydrophobicContact CE1-CG 4.18Å; Y205-M209 HydrophobicContact CE2-CE 3.93Å; Y205-M209 HydrophobicContact CE2-CG 4.3Å; Y205-M209 HydrophobicContact CE2-SD 4.18Å; Y205-M209 WeakPolarHBondContact O-CG 3.4Å; Y205-M209 PolarHBondContact O-N 3.22Å
206R97Very high94.6Very high13 Ų1343.5 Ų43.55%0.04922%0.217CC..Hα-helixtrans-55.9-46.5175.3-172.5176.6-176.484.5-7111.5L186 S189 E190 A202 W203 K208 M209 L210 E231 Y251L186-R206 HydrophobicContact CD1-CG 4.09Å; S189-R206 WeakPolarHBondContact OG-CB 3.26Å; E190-R206 VanDerWaalsContact CB-NH1 3.32Å; E190-R206 IonicContact OE2-CZ 3.94Å; E190-R206 IonicContact OE2-NH1 3.65Å; E190-R206 PolarHBondContact OE2-NH1 2.87Å; E190-R206 IonicContact OE2-NH2 2.74Å; E190-R206 PolarHBondContact OE2-NH2 3.48Å; A202-R206 WeakPolarHBondContact O-CB 3.31Å; A202-R206 PolarHBondContact O-N 3.31Å; W203-R206 PolarHBondContact O-N 3.41Å; R206-K208 VanDerWaalsContact C-N 3.32Å; R206-K208 PolarHBondContact O-N 3.26Å; R206-M209 PolarHBondContact O-N 2.88Å; R206-L210 HydrophobicContact CG-CD1 3.89Å; R206-L210 HydrophobicContact CG-CG 4.24Å; R206-L210 WeakPolarHBondContact O-CB 3.29Å; R206-L210 WeakPolarHBondContact O-CG 3.42Å; R206-L210 PolarHBondContact O-N 3.3Å; R206-E231 IonicContact CZ-OE1 3.67Å; R206-E231 VanDerWaalsContact CZ-OE1 3.23Å; R206-E231 IonicContact CZ-OE2 3.97Å; R206-E231 IonicContact NE-OE1 3.58Å; R206-E231 PolarHBondContact NE-OE1 3.48Å; R206-E231 IonicContact NE-OE2 2.67Å; R206-E231 PolarHBondContact NE-OE2 3.24Å; R206-E231 IonicContact NH2-OE1 2.91Å; R206-E231 PolarHBondContact NH2-OE1 3.06Å; R206-E231 IonicContact NH2-OE2 2.72Å; R206-Y251 HydrophobicContact CB-CE2 4.34Å; R206-Y251 HydrophobicContact CG-CE2 4.47Å
207S96.9Very high94.5Very high8 Ų848.4 Ų48.46%0.05624%0.243CC..Hα-helixtrans-62-38.3179.766.10000112.9W203 H204 Y205 S211 W254W203-S207 PolarHBondContact O-N 3.32Å; H204-S207 PolarHBondContact O-OG 2.99Å; Y205-S207 VanDerWaalsContact C-N 3.35Å; Y205-S207 PolarHBondContact O-N 2.82Å; S207-S211 PolarHBondContact O-N 3.29Å; S207-S211 VanDerWaalsContact O-N 3.16Å; S207-S211 PolarHBondContact O-OG 3.42Å; S207-W254 VanDerWaalsContact CB-CE3 3.46Å; S207-W254 VanDerWaalsContact CB-CZ3 3.45Å; S207-W254 WeakPolarHBondContact O-CZ2 3.42Å
208K94.6Very high94.4Very high114 Ų11449.2 Ų49.250%0.49625%0.248SC..Hα-helixtrans-68-41.5174.4-63.8-58.2-179.7-173.40112.8H204 Y205 R206 Q212H204-K208 WeakPolarHBondContact O-CG 3.3Å; H204-K208 PolarHBondContact O-N 3.07Å; Y205-K208 PolarHBondContact O-N 3.25Å; R206-K208 VanDerWaalsContact C-N 3.32Å; R206-K208 PolarHBondContact O-N 3.26Å; K208-Q212 WeakPolarHBondContact O-CB 3.49Å; K208-Q212 PolarHBondContact O-N 2.97Å
209M95.5Very high93.9Very high15 Ų1550.6 Ų50.67%0.07426%0.262CS..Hα-helixtrans-64.7-43.9177.2-67.3-59.791.500111.5E185 L186 Y205 R206 Q212 L213E185-M209 HydrophobicContact CB-SD 3.94Å; L186-M209 HydrophobicContact CB-CB 4.39Å; L186-M209 HydrophobicContact CD1-CB 4.1Å; Y205-M209 HydrophobicContact CD1-CG 4.34Å; Y205-M209 HydrophobicContact CE1-CG 4.18Å; Y205-M209 HydrophobicContact CE2-CE 3.93Å; Y205-M209 HydrophobicContact CE2-CG 4.3Å; Y205-M209 HydrophobicContact CE2-SD 4.18Å; Y205-M209 WeakPolarHBondContact O-CG 3.4Å; Y205-M209 PolarHBondContact O-N 3.22Å; R206-M209 PolarHBondContact O-N 2.88Å; M209-Q212 PolarHBondContact O-N 2.97Å; M209-L213 WeakPolarHBondContact O-CB 3.45Å; M209-L213 PolarHBondContact O-N 3.4Å
210L97.1Very high93.5Very high0 Ų051 Ų510%027%0.266CS..Hα-helixtrans-64.6-45.5179.6-70.6173.6000112.7L186 R206 Q212 L213 R214 V223 T227 E231 Y251L186-L210 HydrophobicContact CD1-CD2 3.59Å; L186-L210 HydrophobicContact CD1-CG 3.81Å; L186-L210 HydrophobicContact CD2-CD2 3.82Å; L186-L210 HydrophobicContact CG-CD2 4.37Å; R206-L210 HydrophobicContact CG-CD1 3.89Å; R206-L210 HydrophobicContact CG-CG 4.24Å; R206-L210 WeakPolarHBondContact O-CB 3.29Å; R206-L210 WeakPolarHBondContact O-CG 3.42Å; R206-L210 PolarHBondContact O-N 3.3Å; L210-Q212 PolarHBondContact O-N 3.3Å; L210-L213 PolarHBondContact O-N 3.48Å; L210-R214 CarbonylContact O-C 3.6Å; L210-R214 WeakPolarHBondContact O-CA 3.45Å; L210-R214 PolarHBondContact O-N 3.24Å; L210-V223 HydrophobicContact CB-CG1 3.78Å; L210-T227 HydrophobicContact CD1-CG2 4.37Å; L210-T227 HydrophobicContact CD2-CG2 3.86Å; L210-E231 HydrophobicContact CD1-CG 3.71Å; L210-Y251 WeakPolarHBondContact CD1-OH 3.44Å
211S94.1Very high93.5Very high45 Ų4547.8 Ų47.832%0.31525%0.253SS..Hα-helixtrans-62.7-27.1175.8-72.40000113.3S207 P222 W254S207-S211 PolarHBondContact O-N 3.29Å; S207-S211 VanDerWaalsContact O-N 3.16Å; S207-S211 PolarHBondContact O-OG 3.42Å; S211-P222 PolarHBondContact OG-O 3.1Å; S211-W254 WeakPolarHBondContact OG-CZ2 3.37Å
212Q92.8Very high93.5Very high125 Ų12548.1 Ų48.158%0.58425%0.254SS*.Hα-helixtrans-81.2-43.4177-178-179.6-12.700112.5K208 M209 L210K208-Q212 WeakPolarHBondContact O-CB 3.49Å; K208-Q212 PolarHBondContact O-N 2.97Å; M209-Q212 PolarHBondContact O-N 2.97Å; L210-Q212 PolarHBondContact O-N 3.3Å
213L95.6Very high93.5Very high43 Ų4348.1 Ų48.123%0.22525%0.254CS..Hα-helixtrans-84.6-32.8-174.3-80.4172.5000113.6P182 E183 L186 M209 L210P182-L213 HydrophobicContact CB-CD1 4.1Å; P182-L213 HydrophobicContact CB-CD2 3.71Å; P182-L213 HydrophobicContact CB-CG 3.98Å; P182-L213 HydrophobicContact CG-CD2 4.35Å; E183-L213 HydrophobicContact CG-CD2 4.34Å; E183-L213 VanDerWaalsContact OE1-CD2 3.25Å; E183-L213 WeakPolarHBondContact OE1-CD2 3.29Å; L186-L213 HydrophobicContact CB-CD1 3.88Å; L186-L213 HydrophobicContact CD2-CD1 3.98Å; M209-L213 WeakPolarHBondContact O-CB 3.45Å; M209-L213 PolarHBondContact O-N 3.4Å; L210-L213 PolarHBondContact O-N 3.48Å
214R95.7Very high93.5Very high87 Ų8751.9 Ų51.933%0.32827%0.272SS..SBendtrans-131.356-174.3-54-172.2-170.9170.80.6110L210 V223 Q224 T227L210-R214 CarbonylContact O-C 3.6Å; L210-R214 WeakPolarHBondContact O-CA 3.45Å; L210-R214 PolarHBondContact O-N 3.24Å; R214-V223 CarbonylContact O-C 3.51Å; R214-V223 VanDerWaalsContact O-CA 3.26Å; R214-V223 WeakPolarHBondContact O-CA 3.09Å; R214-Q224 HydrophobicContact CB-CG 4.22Å; R214-Q224 PolarHBondContact O-N 3.05Å; R214-T227 WeakPolarHBondContact CD-OG1 3.19Å; R214-T227 PolarHBondContact NH1-OG1 2.98Å
215P93.9Very high93.5Very high67 Ų6749 Ų4944%0.43526%0.26SS..  trans-59.8144.6176.329.3-35.6000109.7Q224P215-Q224 VanDerWaalsContact O-CG 3.24Å; P215-Q224 WeakPolarHBondContact O-CG 3.24Å
216S92.8Very high93.6Very high28 Ų2854.8 Ų54.820%0.19629%0.291CS..  trans-77.3142.3177.4-160.90000111.6E218 M221 V223S216-E218 VanDerWaalsContact C-N 3.31Å; S216-E218 WeakPolarHBondContact OG-CB 3.29Å; S216-E218 PolarHBondContact OG-N 3.01Å; S216-E218 PolarHBondContact OG-O 3.43Å; S216-M221 VanDerWaalsContact CB-O 3.29Å; S216-M221 WeakPolarHBondContact CB-O 3.47Å; S216-M221 WeakPolarHBondContact OG-CB 3.39Å; S216-V223 WeakPolarHBondContact CB-O 3.14Å; S216-V223 PolarHBondContact OG-O 3.28Å
217D88.8Confident93.6Very high156 Ų15654.3 Ų54.383%0.83429%0.29SS*.SBendtrans-83.7-13.2163.7-61.6-37.5000111.6
218E87.9Confident93.7Very high98 Ų9854 Ų5446%0.45829%0.288SS..SBendtrans-91.2127.9179.3-64.5-69.4178.200111.1S216 G220 M221 L225 P374S216-E218 VanDerWaalsContact C-N 3.31Å; S216-E218 WeakPolarHBondContact OG-CB 3.29Å; S216-E218 PolarHBondContact OG-N 3.01Å; S216-E218 PolarHBondContact OG-O 3.43Å; E218-G220 PolarHBondContact O-N 3.42Å; E218-M221 HydrophobicContact CB-CB 4.32Å; E218-M221 HydrophobicContact CB-CG 3.9Å; E218-M221 PolarHBondContact O-N 3.47Å; E218-L225 HydrophobicContact CG-CD1 4.17Å; E218-L225 HydrophobicContact CG-CD2 4.43Å; E218-L225 HydrophobicContact CG-CG 4.23Å; E218-P374 HydrophobicContact CB-CG 4.27Å; E218-P374 HydrophobicContact CG-CG 4.28Å
219A82.2Confident93.8Very high65 Ų6551.8 Ų51.854%0.53728%0.278SS..THydrogen-bonded Turntrans-58.5133.3175.900000110.4M221 V371A219-M221 VanDerWaalsContact C-N 3.34Å; A219-V371 VanDerWaalsContact C-CG1 3.48Å; A219-V371 HydrophobicContact CB-CG1 4.25Å
220G85.1Confident94Very high10 Ų1056 Ų5610%0.10330%0.301CS..THydrogen-bonded Turntrans86.3-0.5177.500000116.3E218 P258 P259 V371E218-G220 PolarHBondContact O-N 3.42Å; G220-P258 WeakPolarHBondContact O-CA 3.12Å; G220-P259 VanDerWaalsContact C-CD 3.48Å; G220-P259 WeakPolarHBondContact O-CD 3.3Å; G220-V371 VanDerWaalsContact N-CG1 3.26Å
221M93.6Very high94Very high11 Ų1156.3 Ų56.35%0.05430%0.302CS..  trans-103.1131.6176.5-61.7-54.3-62.300110.2S216 E218 A219 V223 L225 F228 L373 P374 V377S216-M221 VanDerWaalsContact CB-O 3.29Å; S216-M221 WeakPolarHBondContact CB-O 3.47Å; S216-M221 WeakPolarHBondContact OG-CB 3.39Å; E218-M221 HydrophobicContact CB-CB 4.32Å; E218-M221 HydrophobicContact CB-CG 3.9Å; E218-M221 PolarHBondContact O-N 3.47Å; A219-M221 VanDerWaalsContact C-N 3.34Å; M221-V223 VanDerWaalsContact C-N 3.28Å; M221-V223 PolarHBondContact O-N 2.71Å; M221-L225 HydrophobicContact CE-CD2 3.98Å; M221-L225 HydrophobicContact CG-CD2 3.95Å; M221-L225 HydrophobicContact SD-CD2 4.44Å; M221-F228 HydrophobicContact CE-CB 3.98Å; M221-F228 HydrophobicContact CE-CD1 3.94Å; M221-F228 HydrophobicContact CE-CD2 3.32Å; M221-F228 HydrophobicContact CE-CE1 4.28Å; M221-F228 HydrophobicContact CE-CE2 3.7Å; M221-F228 HydrophobicContact CE-CG 3.46Å; M221-F228 VanDerWaalsContact CE-CG 3.46Å; M221-F228 HydrophobicContact CE-CZ 4.17Å; M221-L373 HydrophobicContact SD-CD2 3.71Å; M221-P374 HydrophobicContact CG-CG 4.37Å; M221-V377 HydrophobicContact CE-CB 4.44Å; M221-V377 HydrophobicContact CE-CG1 3.94Å; M221-V377 HydrophobicContact CE-CG2 3.66Å; M221-V377 HydrophobicContact SD-CB 4.38Å; M221-V377 HydrophobicContact SD-CG1 3.94Å; M221-V377 HydrophobicContact SD-CG2 3.92Å
222P94.5Very high94.2Very high13 Ų1354.9 Ų54.98%0.08429%0.291CS..SBendtrans-75.2-17.8179.429-34.1000113.6S211 W254 L255S211-P222 PolarHBondContact OG-O 3.1Å; P222-W254 HydrophobicContact CB-CZ2 3.96Å; P222-L255 HydrophobicContact CG-CD1 4.27Å; P222-L255 VanDerWaalsContact CG-O 3.31Å; P222-L255 WeakPolarHBondContact CG-O 3.44Å
223V96.8Very high94.4Very high0 Ų051.3 Ų51.30%028%0.283CS..SBendtrans-150.2163.5-178.1-62.10000110.3L210 R214 S216 M221 T227 F228 W254 L255L210-V223 HydrophobicContact CB-CG1 3.78Å; R214-V223 CarbonylContact O-C 3.51Å; R214-V223 VanDerWaalsContact O-CA 3.26Å; R214-V223 WeakPolarHBondContact O-CA 3.09Å; S216-V223 WeakPolarHBondContact CB-O 3.14Å; S216-V223 PolarHBondContact OG-O 3.28Å; M221-V223 VanDerWaalsContact C-N 3.28Å; M221-V223 PolarHBondContact O-N 2.71Å; V223-T227 HydrophobicContact CB-CG2 4.15Å; V223-T227 HydrophobicContact CG2-CG2 4.03Å; V223-F228 HydrophobicContact CG2-CB 3.91Å; V223-W254 HydrophobicContact CG1-CH2 3.94Å; V223-W254 HydrophobicContact CG1-CZ2 4.3Å; V223-L255 HydrophobicContact CG2-CD1 3.89Å
224Q96.7Very high94.5Very high83 Ų8351.2 Ų51.239%0.38828%0.283SS..  trans-51.3148172.7-67.6177.3-26.800112.7R214 P215 D226 T227 F228R214-Q224 HydrophobicContact CB-CG 4.22Å; R214-Q224 PolarHBondContact O-N 3.05Å; P215-Q224 VanDerWaalsContact O-CG 3.24Å; P215-Q224 WeakPolarHBondContact O-CG 3.24Å; Q224-D226 PolarHBondContact O-N 3.48Å; Q224-T227 CarbonylContact O-C 3.59Å; Q224-T227 WeakPolarHBondContact O-CB 3.48Å; Q224-T227 PolarHBondContact O-N 3.33Å; Q224-T227 VanDerWaalsContact O-N 3.14Å; Q224-F228 PolarHBondContact O-N 3.38Å
225L96.7Very high94.5Very high41 Ų4147.1 Ų47.122%0.21527%0.267CS..Hα-helixtrans-58.6-46.1-172.7-65.3-174.7000114.1E218 M221 T227 F228 F229 P374 V377E218-L225 HydrophobicContact CG-CD1 4.17Å; E218-L225 HydrophobicContact CG-CD2 4.43Å; E218-L225 HydrophobicContact CG-CG 4.23Å; M221-L225 HydrophobicContact CE-CD2 3.98Å; M221-L225 HydrophobicContact CG-CD2 3.95Å; M221-L225 HydrophobicContact SD-CD2 4.44Å; L225-T227 VanDerWaalsContact C-N 3.28Å; L225-T227 PolarHBondContact O-N 3.19Å; L225-F228 WeakPolarHBondContact O-CB 3.3Å; L225-F228 PolarHBondContact O-N 3.21Å; L225-F229 HydrophobicContact CB-CE2 4.21Å; L225-F229 WeakPolarHBondContact O-CD2 3.34Å; L225-F229 PolarHBondContact O-N 3.09Å; L225-P374 HydrophobicContact CD2-CG 4.23Å; L225-V377 HydrophobicContact CD2-CG2 3.74Å
226D97.1Very high94.7Very high128 Ų12845.9 Ų45.968%0.68426%0.255SS*.Hα-helixtrans-59.6-43.3178.6-65.8-16.1000111Q224 F228 F229 D230Q224-D226 PolarHBondContact O-N 3.48Å; D226-F228 PolarHBondContact O-N 3.47Å; D226-F229 PolarHBondContact O-N 3.39Å; D226-D230 PolarHBondContact O-N 3.25Å; D226-D230 VanDerWaalsContact O-N 3.08Å
227T97.4Very high94.8Very high4 Ų449.5 Ų49.53%0.02527%0.273CS..Hα-helixtrans-65.3-39174.8-62.80000111.6L210 R214 V223 Q224 L225 F229 D230 E231L210-T227 HydrophobicContact CD1-CG2 4.37Å; L210-T227 HydrophobicContact CD2-CG2 3.86Å; R214-T227 WeakPolarHBondContact CD-OG1 3.19Å; R214-T227 PolarHBondContact NH1-OG1 2.98Å; V223-T227 HydrophobicContact CB-CG2 4.15Å; V223-T227 HydrophobicContact CG2-CG2 4.03Å; Q224-T227 CarbonylContact O-C 3.59Å; Q224-T227 WeakPolarHBondContact O-CB 3.48Å; Q224-T227 PolarHBondContact O-N 3.33Å; Q224-T227 VanDerWaalsContact O-N 3.14Å; L225-T227 VanDerWaalsContact C-N 3.28Å; L225-T227 PolarHBondContact O-N 3.19Å; T227-F229 VanDerWaalsContact C-N 3.33Å; T227-F229 PolarHBondContact O-N 3.3Å; T227-D230 PolarHBondContact O-N 2.9Å; T227-E231 HydrophobicContact CG2-CG 3.98Å; T227-E231 VanDerWaalsContact O-CB 3.31Å; T227-E231 WeakPolarHBondContact O-CB 3.4Å; T227-E231 WeakPolarHBondContact O-CG 3.24Å; T227-E231 PolarHBondContact O-N 3.32Å
228F98.1Very high95Very high1 Ų142.3 Ų42.30%0.00424%0.236CC..Hα-helixtrans-58-46.3176.1168.2-90.2000111.4M221 V223 Q224 L225 D226 E231 L232 L255 T256 V377 L381M221-F228 HydrophobicContact CE-CB 3.98Å; M221-F228 HydrophobicContact CE-CD1 3.94Å; M221-F228 HydrophobicContact CE-CD2 3.32Å; M221-F228 HydrophobicContact CE-CE1 4.28Å; M221-F228 HydrophobicContact CE-CE2 3.7Å; M221-F228 HydrophobicContact CE-CG 3.46Å; M221-F228 VanDerWaalsContact CE-CG 3.46Å; M221-F228 HydrophobicContact CE-CZ 4.17Å; V223-F228 HydrophobicContact CG2-CB 3.91Å; Q224-F228 PolarHBondContact O-N 3.38Å; L225-F228 WeakPolarHBondContact O-CB 3.3Å; L225-F228 PolarHBondContact O-N 3.21Å; D226-F228 PolarHBondContact O-N 3.47Å; F228-E231 PolarHBondContact O-N 2.98Å; F228-L232 HydrophobicContact CE1-CD2 4.04Å; F228-L232 HydrophobicContact CZ-CD2 4.17Å; F228-L232 WeakPolarHBondContact O-CB 3.2Å; F228-L232 PolarHBondContact O-N 3.4Å; F228-L255 HydrophobicContact CD2-CD1 3.76Å; F228-L255 HydrophobicContact CD2-CD2 4.31Å; F228-L255 HydrophobicContact CD2-CG 3.7Å; F228-L255 HydrophobicContact CE2-CD1 4.42Å; F228-L255 HydrophobicContact CE2-CD2 4.46Å; F228-L255 HydrophobicContact CE2-CG 3.88Å; F228-L255 WeakPolarHBondContact CE2-O 3.43Å; F228-T256 HydrophobicContact CE2-CG2 4.37Å; F228-V377 HydrophobicContact CD1-CG2 4.25Å; F228-V377 HydrophobicContact CE1-CB 4.42Å; F228-V377 HydrophobicContact CE1-CG1 3.87Å; F228-V377 HydrophobicContact CE1-CG2 4.12Å; F228-V377 HydrophobicContact CE2-CG1 4.47Å; F228-V377 HydrophobicContact CZ-CG1 3.76Å; F228-L381 HydrophobicContact CZ-CD2 4.07Å
229F98.3Very high95.4Very high68 Ų6837.8 Ų37.830%0.29821%0.214SC..Hα-helixtrans-67.5-42.1179.9-65.9-62000112.4L225 D226 T227 E231 L232 A233 V377 A380L225-F229 HydrophobicContact CB-CE2 4.21Å; L225-F229 WeakPolarHBondContact O-CD2 3.34Å; L225-F229 PolarHBondContact O-N 3.09Å; D226-F229 PolarHBondContact O-N 3.39Å; T227-F229 VanDerWaalsContact C-N 3.33Å; T227-F229 PolarHBondContact O-N 3.3Å; F229-E231 PolarHBondContact O-N 3.18Å; F229-L232 PolarHBondContact O-N 2.95Å; F229-A233 PolarHBondContact O-N 2.99Å; F229-V377 HydrophobicContact CZ-CG2 4.16Å; F229-A380 HydrophobicContact CD1-CB 4.22Å; F229-A380 HydrophobicContact CE1-CB 3.71Å
230D97.9Very high96Very high104 Ų10438.4 Ų38.456%0.55621%0.205SC*.Hα-helixtrans-59.3-46.3175.3-71.2-20.1000111.6D226 T227 A233 L234D226-D230 PolarHBondContact O-N 3.25Å; D226-D230 VanDerWaalsContact O-N 3.08Å; T227-D230 PolarHBondContact O-N 2.9Å; D230-A233 PolarHBondContact O-N 3.35Å; D230-L234 WeakPolarHBondContact O-CB 3.35Å; D230-L234 PolarHBondContact O-N 3.21Å
231E97.7Very high96.4Very high5 Ų543.7 Ų43.72%0.02324%0.235CC..Hα-helixtrans-72.8-31.5-179.3-65.9-61.6145.100112.8R206 L210 T227 F228 F229 L234 S235 Y251 L255R206-E231 IonicContact CZ-OE1 3.67Å; R206-E231 VanDerWaalsContact CZ-OE1 3.23Å; R206-E231 IonicContact CZ-OE2 3.97Å; R206-E231 IonicContact NE-OE1 3.58Å; R206-E231 PolarHBondContact NE-OE1 3.48Å; R206-E231 IonicContact NE-OE2 2.67Å; R206-E231 PolarHBondContact NE-OE2 3.24Å; R206-E231 IonicContact NH2-OE1 2.91Å; R206-E231 PolarHBondContact NH2-OE1 3.06Å; R206-E231 IonicContact NH2-OE2 2.72Å; L210-E231 HydrophobicContact CD1-CG 3.71Å; T227-E231 HydrophobicContact CG2-CG 3.98Å; T227-E231 VanDerWaalsContact O-CB 3.31Å; T227-E231 WeakPolarHBondContact O-CB 3.4Å; T227-E231 WeakPolarHBondContact O-CG 3.24Å; T227-E231 PolarHBondContact O-N 3.32Å; F228-E231 PolarHBondContact O-N 2.98Å; F229-E231 PolarHBondContact O-N 3.18Å; E231-L234 PolarHBondContact O-N 2.77Å; E231-S235 WeakPolarHBondContact O-CB 3.01Å; E231-S235 PolarHBondContact O-N 3.06Å; E231-S235 PolarHBondContact O-OG 2.77Å; E231-Y251 HydrophobicContact CB-CE1 4.32Å; E231-Y251 WeakPolarHBondContact OE2-CE1 3.31Å; E231-Y251 PolarHBondContact OE2-OH 3.38Å; E231-L255 HydrophobicContact CB-CD1 4.21Å; E231-L255 HydrophobicContact CB-CD2 3.67Å
232L98.2Very high96.4Very high15 Ų1546.6 Ų46.68%0.07925%0.251CS..Hα-helixtrans-64.2-45.2173.8-176.165.4000109.7F228 F229 S235 H236 Q252 L255 T256 A380F228-L232 HydrophobicContact CE1-CD2 4.04Å; F228-L232 HydrophobicContact CZ-CD2 4.17Å; F228-L232 WeakPolarHBondContact O-CB 3.2Å; F228-L232 PolarHBondContact O-N 3.4Å; F229-L232 PolarHBondContact O-N 2.95Å; L232-S235 PolarHBondContact O-OG 2.71Å; L232-S235 VanDerWaalsContact O-OG 3.08Å; L232-H236 WeakPolarHBondContact O-CB 3.35Å; L232-H236 PolarHBondContact O-N 3.2Å; L232-Q252 HydrophobicContact CD1-CG 3.87Å; L232-Q252 PolarHBondContact O-NE2 2.91Å; L232-L255 HydrophobicContact CB-CD2 4.04Å; L232-T256 HydrophobicContact CD1-CG2 3.88Å; L232-A380 HydrophobicContact CD2-CB 4.16Å
233A97.8Very high96.5Very high51 Ų5146.7 Ų46.742%0.42125%0.252SS..Hα-helixtrans-64.8-44.2175.800000112.2F229 D230 H236 N237F229-A233 PolarHBondContact O-N 2.99Å; D230-A233 PolarHBondContact O-N 3.35Å; A233-H236 PolarHBondContact O-N 2.76Å; A233-N237 VanDerWaalsContact O-CG 3.31Å; A233-N237 PolarHBondContact O-N 3.43Å; A233-N237 PolarHBondContact O-ND2 3.5Å
234L96.4Very high96.4Very high41 Ų4152 Ų5222%0.21528%0.28CS..Hα-helixtrans-58.9-50.8178.1177.263000111.8F197 W203 D230 E231 N237 G238F197-L234 HydrophobicContact CE1-CD1 4.47Å; W203-L234 HydrophobicContact CH2-CD2 4.19Å; W203-L234 HydrophobicContact CH2-CG 4.03Å; W203-L234 HydrophobicContact CZ3-CD2 4.14Å; W203-L234 HydrophobicContact CZ3-CG 4.38Å; D230-L234 WeakPolarHBondContact O-CB 3.35Å; D230-L234 PolarHBondContact O-N 3.21Å; E231-L234 PolarHBondContact O-N 2.77Å; L234-N237 PolarHBondContact O-N 3.5Å; L234-G238 PolarHBondContact O-N 3.36Å
235S96.6Very high96.2Very high0 Ų049.4 Ų49.40%027%0.269CS..Hα-helixtrans-68.9-34.4-179.957.70000112.8E231 L232 G238 I239 Q252E231-S235 WeakPolarHBondContact O-CB 3.01Å; E231-S235 PolarHBondContact O-N 3.06Å; E231-S235 PolarHBondContact O-OG 2.77Å; L232-S235 PolarHBondContact O-OG 2.71Å; L232-S235 VanDerWaalsContact O-OG 3.08Å; S235-G238 PolarHBondContact O-N 2.93Å; S235-I239 WeakPolarHBondContact O-CG1 3.35Å; S235-I239 PolarHBondContact O-N 3.04Å; S235-Q252 VanDerWaalsContact OG-CG 3.3Å; S235-Q252 WeakPolarHBondContact OG-CG 3.28Å; S235-Q252 PolarHBondContact OG-NE2 3.38Å; S235-Q252 VanDerWaalsContact OG-NE2 3.11Å
236H97.2Very high96.1Very high41 Ų4151.1 Ų51.119%0.1928%0.276CS..Hα-helixtrans-58.7-51172.3-174143.6000110.5L232 A233 G238 I239 F240 D387L232-H236 WeakPolarHBondContact O-CB 3.35Å; L232-H236 PolarHBondContact O-N 3.2Å; A233-H236 PolarHBondContact O-N 2.76Å; H236-G238 PolarHBondContact O-N 3.3Å; H236-I239 PolarHBondContact O-N 3.46Å; H236-I239 VanDerWaalsContact O-N 3.11Å; H236-F240 AromaticContact CD2-CD2 3.23Å; H236-F240 WeakPolarHBondContact CD2-CD2 3.31Å; H236-F240 AromaticContact CD2-CE2 3.49Å; H236-F240 VanDerWaalsContact CD2-CE2 3.49Å; H236-F240 WeakPolarHBondContact CD2-CE2 3.49Å; H236-F240 AromaticContact CE1-CE2 3.97Å; H236-F240 AromaticContact NE2-CD2 3.36Å; H236-F240 WeakPolarHBondContact NE2-CD2 3.43Å; H236-F240 AromaticContact NE2-CE2 3.2Å; H236-F240 WeakPolarHBondContact NE2-CE2 3.34Å; H236-F240 AromaticContact NE2-CZ 3.88Å; H236-F240 WeakPolarHBondContact O-CD2 3.2Å; H236-F240 PolarHBondContact O-N 2.89Å; H236-D387 IonicContact CE1-OD2 3.15Å; H236-D387 PolarHBondContact CE1-OD2 2.85Å; H236-D387 VanDerWaalsContact CE1-OD2 3.31Å
237N95Very high96.1Very high105 Ų10545.2 Ų45.256%0.56125%0.245SC*.Hα-helixtrans-57.3-40178.3-70.3-25.7000111.9A233 L234 F240 T241A233-N237 VanDerWaalsContact O-CG 3.31Å; A233-N237 PolarHBondContact O-N 3.43Å; A233-N237 PolarHBondContact O-ND2 3.5Å; L234-N237 PolarHBondContact O-N 3.5Å; N237-F240 PolarHBondContact O-N 2.69Å; N237-T241 WeakPolarHBondContact O-CB 3.49Å; N237-T241 PolarHBondContact O-N 2.86Å; N237-T241 VanDerWaalsContact O-N 3.12Å; N237-T241 PolarHBondContact O-OG1 3.32Å
238G93.7Very high96.1Very high5 Ų545.2 Ų45.25%0.05225%0.245CC..Hα-helixtrans-62.3-45.9174.900000113.1L234 S235 H236 F240 T241 D242L234-G238 PolarHBondContact O-N 3.36Å; S235-G238 PolarHBondContact O-N 2.93Å; H236-G238 PolarHBondContact O-N 3.3Å; G238-F240 PolarHBondContact O-N 2.97Å; G238-T241 PolarHBondContact O-N 3.34Å; G238-D242 PolarHBondContact O-N 3.35Å; G238-D242 VanDerWaalsContact O-N 3.14Å
239I96.2Very high96Very high2 Ų245.1 Ų45.11%0.0124%0.244CC..Hα-helixtrans-59.2-44177.3-73.5163.9000111.6S235 H236 T241 D242 P243 C248 W249 Q252 L391S235-I239 WeakPolarHBondContact O-CG1 3.35Å; S235-I239 PolarHBondContact O-N 3.04Å; H236-I239 PolarHBondContact O-N 3.46Å; H236-I239 VanDerWaalsContact O-N 3.11Å; I239-T241 PolarHBondContact O-N 2.85Å; I239-D242 CarbonylContact O-C 3.01Å; I239-P243 WeakPolarHBondContact O-CA 3.38Å; I239-P243 WeakPolarHBondContact O-CB 3.3Å; I239-P243 WeakPolarHBondContact O-CD 3.45Å; I239-C248 HydrophobicContact CD1-CB 4.48Å; I239-C248 HydrophobicContact CG1-CB 3.63Å; I239-W249 HydrophobicContact CB-CZ2 4.49Å; I239-W249 HydrophobicContact CD1-CD2 3.92Å; I239-W249 HydrophobicContact CD1-CE3 3.58Å; I239-W249 HydrophobicContact CD1-CH2 4.43Å; I239-W249 HydrophobicContact CD1-CZ3 3.86Å; I239-W249 HydrophobicContact CG1-CD2 3.92Å; I239-W249 HydrophobicContact CG1-CE3 4.11Å; I239-W249 HydrophobicContact CG1-CG 4.33Å; I239-W249 HydrophobicContact CG1-CZ2 4.5Å; I239-W249 HydrophobicContact CG1-CZ3 4.46Å; I239-W249 HydrophobicContact CG2-CD2 4.24Å; I239-W249 HydrophobicContact CG2-CE3 4.37Å; I239-W249 HydrophobicContact CG2-CH2 3.46Å; I239-W249 VanDerWaalsContact CG2-CH2 3.46Å; I239-W249 HydrophobicContact CG2-CZ2 3.28Å; I239-W249 HydrophobicContact CG2-CZ3 4.01Å; I239-Q252 HydrophobicContact CD1-CB 4.14Å; I239-L391 HydrophobicContact CG2-CD2 4.02Å
240F95.3Very high95.9Very high79 Ų7945.9 Ų45.935%0.34625%0.251SS..Hα-helixtrans-80.6-6.2-178.9-79-100.8000113.7H236 N237 G238 D387 L391 M394H236-F240 AromaticContact CD2-CD2 3.23Å; H236-F240 WeakPolarHBondContact CD2-CD2 3.31Å; H236-F240 AromaticContact CD2-CE2 3.49Å; H236-F240 VanDerWaalsContact CD2-CE2 3.49Å; H236-F240 WeakPolarHBondContact CD2-CE2 3.49Å; H236-F240 AromaticContact CE1-CE2 3.97Å; H236-F240 AromaticContact NE2-CD2 3.36Å; H236-F240 WeakPolarHBondContact NE2-CD2 3.43Å; H236-F240 AromaticContact NE2-CE2 3.2Å; H236-F240 WeakPolarHBondContact NE2-CE2 3.34Å; H236-F240 AromaticContact NE2-CZ 3.88Å; H236-F240 WeakPolarHBondContact O-CD2 3.2Å; H236-F240 PolarHBondContact O-N 2.89Å; N237-F240 PolarHBondContact O-N 2.69Å; G238-F240 PolarHBondContact O-N 2.97Å; F240-D387 HydrophobicContact CE2-CB 4.45Å; F240-D387 HydrophobicContact CZ-CB 3.99Å; F240-D387 WeakPolarHBondContact CZ-O 3.31Å; F240-L391 HydrophobicContact CE1-CB 4.13Å; F240-L391 HydrophobicContact CZ-CB 4.11Å; F240-M394 HydrophobicContact CE1-CE 4.43Å
241T93.3Very high95.9Very high120 Ų12041.2 Ų41.274%0.73623%0.226SC*.Hα-helixtrans-86.4-44.2171.4-59.50000111.3N237 G238 I239N237-T241 WeakPolarHBondContact O-CB 3.49Å; N237-T241 PolarHBondContact O-N 2.86Å; N237-T241 VanDerWaalsContact O-N 3.12Å; N237-T241 PolarHBondContact O-OG1 3.32Å; G238-T241 PolarHBondContact O-N 3.34Å; I239-T241 PolarHBondContact O-N 2.85Å
242D94Very high95.9Very high73 Ų7341 Ų4139%0.3923%0.225SC..  trans-142.889.2174.9-172.7-9.8000109.8G238 I239 D244 D245G238-D242 PolarHBondContact O-N 3.35Å; G238-D242 VanDerWaalsContact O-N 3.14Å; I239-D242 CarbonylContact O-C 3.01Å; D242-D244 PolarHBondContact O-N 3.18Å; D242-D244 PolarHBondContact OD1-N 3.03Å; D242-D245 HydrophobicContact CB-CB 4.21Å; D242-D245 PolarHBondContact O-N 2.98Å; D242-D245 PolarHBondContact OD1-N 2.88Å
243P95.7Very high95.8Very high14 Ų1440.8 Ų40.89%0.09122%0.224CC..THydrogen-bonded Turntrans-71.7-14.2-175.629.1-36000113.1I239 W249 L391 E395 N398I239-P243 WeakPolarHBondContact O-CA 3.38Å; I239-P243 WeakPolarHBondContact O-CB 3.3Å; I239-P243 WeakPolarHBondContact O-CD 3.45Å; P243-W249 PolarHBondContact O-NE1 3.47Å; P243-L391 HydrophobicContact CB-CD1 4.15Å; P243-L391 HydrophobicContact CB-CD2 3.88Å; P243-L391 HydrophobicContact CG-CD1 4.38Å; P243-E395 VanDerWaalsContact CG-CD 3.5Å; P243-E395 VanDerWaalsContact CG-OE1 3.25Å; P243-E395 WeakPolarHBondContact CG-OE1 3.44Å; P243-E395 VanDerWaalsContact CG-OE2 3.22Å; P243-E395 WeakPolarHBondContact CG-OE2 3.4Å; P243-N398 VanDerWaalsContact C-ND2 3.3Å; P243-N398 PolarHBondContact O-ND2 3.44Å
244D94.8Very high95.7Very high113 Ų11341.6 Ų41.660%0.60422%0.216SC*.THydrogen-bonded Turntrans-81.1-19174.1-83-36.3000112.2D242 Q246D242-D244 PolarHBondContact O-N 3.18Å; D242-D244 PolarHBondContact OD1-N 3.03Å; D244-Q246 PolarHBondContact O-N 3.48Å
245D93.9Very high95.8Very high28 Ų2839.7 Ų39.715%0.1521%0.206CC..  trans-74.8117177.6-164.8-74000111.9S198 D242 S247 W249S198-D245 WeakPolarHBondContact CA-OD2 3.24Å; S198-D245 WeakPolarHBondContact CB-OD2 3.35Å; S198-D245 PolarHBondContact OG-OD2 3.44Å; D242-D245 HydrophobicContact CB-CB 4.21Å; D242-D245 PolarHBondContact O-N 2.98Å; D242-D245 PolarHBondContact OD1-N 2.88Å; D245-S247 PolarHBondContact O-N 3.26Å; D245-S247 WeakPolarHBondContact OD1-CA 3.46Å; D245-S247 WeakPolarHBondContact OD1-CB 3.39Å; D245-S247 PolarHBondContact OD1-N 3.15Å; D245-S247 PolarHBondContact OD1-OG 3.21Å; D245-W249 VanDerWaalsContact O-CD1 3.22Å
246Q94.6Very high95.7Very high77 Ų7740 Ų4036%0.3621%0.207SC..Hα-helixtrans-67-17.9-177.967.1177.712.600114.5D244 W249 L250 W400D244-Q246 PolarHBondContact O-N 3.48Å; Q246-W249 PolarHBondContact O-N 3.17Å; Q246-L250 HydrophobicContact CB-CD1 4.35Å; Q246-L250 HydrophobicContact CG-CD1 4.23Å; Q246-L250 WeakPolarHBondContact O-CB 3.46Å; Q246-L250 VanDerWaalsContact O-CG 3.24Å; Q246-L250 WeakPolarHBondContact O-CG 3.28Å; Q246-L250 PolarHBondContact O-N 3.44Å; Q246-W400 HydrophobicContact CB-CH2 4.21Å; Q246-W400 HydrophobicContact CB-CZ2 3.47Å; Q246-W400 VanDerWaalsContact CB-CZ2 3.47Å
247S95.7Very high95.5Very high4 Ų440.9 Ų40.93%0.02822%0.216CC..Hα-helixtrans-66-49.1-166.6-48.90000111.4S198 D245 L250 Y251S198-S247 PolarHBondContact O-OG 3.36Å; D245-S247 PolarHBondContact O-N 3.26Å; D245-S247 WeakPolarHBondContact OD1-CA 3.46Å; D245-S247 WeakPolarHBondContact OD1-CB 3.39Å; D245-S247 PolarHBondContact OD1-N 3.15Å; D245-S247 PolarHBondContact OD1-OG 3.21Å; S247-L250 PolarHBondContact O-N 2.95Å; S247-Y251 WeakPolarHBondContact O-CB 3.22Å; S247-Y251 PolarHBondContact O-N 3.36Å
248C96.8Very high95.2Very high3 Ų337.9 Ų37.92%0.0220%0.202CC..Hα-helixtrans-68.5-36.7179.1-59.60000111.4W203 I239 Y251 Q252W203-C248 VanDerWaalsContact CZ2-SG 3.54Å; I239-C248 HydrophobicContact CD1-CB 4.48Å; I239-C248 HydrophobicContact CG1-CB 3.63Å; C248-Y251 PolarHBondContact O-N 2.97Å; C248-Q252 VanDerWaalsContact O-CB 3.31Å; C248-Q252 WeakPolarHBondContact O-CB 3.4Å; C248-Q252 PolarHBondContact O-N 2.85Å
249W97.4Very high95Very high0 Ų040.6 Ų40.60%022%0.219CC..Hα-helixtrans-60.2-51.9173.2-70.1115.3000112.1I239 P243 D245 Q246 Y251 Q252 N253 I388 L391 W400 A401 S404I239-W249 HydrophobicContact CB-CZ2 4.49Å; I239-W249 HydrophobicContact CD1-CD2 3.92Å; I239-W249 HydrophobicContact CD1-CE3 3.58Å; I239-W249 HydrophobicContact CD1-CH2 4.43Å; I239-W249 HydrophobicContact CD1-CZ3 3.86Å; I239-W249 HydrophobicContact CG1-CD2 3.92Å; I239-W249 HydrophobicContact CG1-CE3 4.11Å; I239-W249 HydrophobicContact CG1-CG 4.33Å; I239-W249 HydrophobicContact CG1-CZ2 4.5Å; I239-W249 HydrophobicContact CG1-CZ3 4.46Å; I239-W249 HydrophobicContact CG2-CD2 4.24Å; I239-W249 HydrophobicContact CG2-CE3 4.37Å; I239-W249 HydrophobicContact CG2-CH2 3.46Å; I239-W249 VanDerWaalsContact CG2-CH2 3.46Å; I239-W249 HydrophobicContact CG2-CZ2 3.28Å; I239-W249 HydrophobicContact CG2-CZ3 4.01Å; P243-W249 PolarHBondContact O-NE1 3.47Å; D245-W249 VanDerWaalsContact O-CD1 3.22Å; Q246-W249 PolarHBondContact O-N 3.17Å; W249-Y251 VanDerWaalsContact C-N 3.28Å; W249-Y251 PolarHBondContact O-N 2.98Å; W249-Q252 PolarHBondContact O-N 3.08Å; W249-N253 VanDerWaalsContact O-CB 3.23Å; W249-N253 WeakPolarHBondContact O-CB 3.21Å; W249-N253 PolarHBondContact O-N 3.31Å; W249-N253 PolarHBondContact O-ND2 3.36Å; W249-N253 PolarHBondContact O-OD1 2.89Å; W249-I388 HydrophobicContact CH2-CG1 4.22Å; W249-I388 HydrophobicContact CH2-CG2 4.21Å; W249-I388 HydrophobicContact CZ3-CD1 4.08Å; W249-I388 HydrophobicContact CZ3-CG1 4.07Å; W249-I388 HydrophobicContact CZ3-CG2 4.4Å; W249-L391 HydrophobicContact CH2-CD2 3.84Å; W249-L391 HydrophobicContact CZ2-CD2 3.66Å; W249-W400 HydrophobicContact CB-CB 4.46Å; W249-W400 HydrophobicContact CB-CE3 4.48Å; W249-W400 AromaticContact CD1-CG 3.82Å; W249-W400 HydrophobicContact CD2-CB 3.92Å; W249-W400 HydrophobicContact CG-CB 3.74Å; W249-W400 HydrophobicContact CG-CG 4.23Å; W249-W400 HydrophobicContact CZ2-CB 4.49Å; W249-A401 HydrophobicContact CH2-CB 3.9Å; W249-A401 HydrophobicContact CZ2-CB 3.98Å; W249-S404 VanDerWaalsContact CZ3-CB 3.5Å
250L96.3Very high94.3Very high83 Ų8345.6 Ų45.644%0.43525%0.25SC..Hα-helixtrans-62-38.5179.8-69.4173.3000111.8Q246 S247 W254 W400Q246-L250 HydrophobicContact CB-CD1 4.35Å; Q246-L250 HydrophobicContact CG-CD1 4.23Å; Q246-L250 WeakPolarHBondContact O-CB 3.46Å; Q246-L250 VanDerWaalsContact O-CG 3.24Å; Q246-L250 WeakPolarHBondContact O-CG 3.28Å; Q246-L250 PolarHBondContact O-N 3.44Å; S247-L250 PolarHBondContact O-N 2.95Å; L250-W254 PolarHBondContact O-N 2.81Å; L250-W400 HydrophobicContact CD2-CH2 4.23Å; L250-W400 HydrophobicContact CD2-CZ3 4.13Å
251Y97.8Very high93.6Very high7 Ų744.2 Ų44.23%0.02726%0.257CS..Hα-helixtrans-65.6-49.9175.9-175.1-98.9000112W203 R206 L210 E231 S247 C248 W249 N253 W254 L255W203-Y251 HydrophobicContact CB-CD2 3.97Å; W203-Y251 HydrophobicContact CB-CG 4.41Å; W203-Y251 HydrophobicContact CD2-CD2 4.27Å; W203-Y251 HydrophobicContact CD2-CG 4.11Å; W203-Y251 AromaticContact CE3-CD1 3.54Å; W203-Y251 HydrophobicContact CE3-CD1 3.54Å; W203-Y251 AromaticContact CE3-CD2 3.53Å; W203-Y251 HydrophobicContact CE3-CD2 3.53Å; W203-Y251 AromaticContact CE3-CE1 3.77Å; W203-Y251 HydrophobicContact CE3-CE1 3.77Å; W203-Y251 AromaticContact CE3-CE2 3.78Å; W203-Y251 HydrophobicContact CE3-CE2 3.78Å; W203-Y251 AromaticContact CE3-CG 3.38Å; W203-Y251 HydrophobicContact CE3-CG 3.38Å; W203-Y251 AromaticContact CE3-CZ 3.88Å; W203-Y251 AromaticContact CZ3-CD1 3.56Å; W203-Y251 HydrophobicContact CZ3-CD1 3.56Å; W203-Y251 HydrophobicContact CZ3-CD2 4.36Å; W203-Y251 AromaticContact CZ3-CE1 3.61Å; W203-Y251 HydrophobicContact CZ3-CE1 3.61Å; W203-Y251 HydrophobicContact CZ3-CE2 4.41Å; W203-Y251 AromaticContact CZ3-CG 3.93Å; W203-Y251 HydrophobicContact CZ3-CG 3.93Å; W203-Y251 WeakPolarHBondContact O-CD2 3.49Å; W203-Y251 WeakPolarHBondContact O-CE2 3.36Å; R206-Y251 HydrophobicContact CB-CE2 4.34Å; R206-Y251 HydrophobicContact CG-CE2 4.47Å; L210-Y251 WeakPolarHBondContact CD1-OH 3.44Å; E231-Y251 HydrophobicContact CB-CE1 4.32Å; E231-Y251 WeakPolarHBondContact OE2-CE1 3.31Å; E231-Y251 PolarHBondContact OE2-OH 3.38Å; S247-Y251 WeakPolarHBondContact O-CB 3.22Å; S247-Y251 PolarHBondContact O-N 3.36Å; C248-Y251 PolarHBondContact O-N 2.97Å; W249-Y251 VanDerWaalsContact C-N 3.28Å; W249-Y251 PolarHBondContact O-N 2.98Å; Y251-N253 VanDerWaalsContact C-N 3.28Å; Y251-N253 PolarHBondContact O-N 3.07Å; Y251-W254 HydrophobicContact CD2-CE3 4.1Å; Y251-W254 HydrophobicContact CD2-CZ3 4.34Å; Y251-W254 HydrophobicContact CE1-CZ3 4.39Å; Y251-W254 AromaticContact CE2-CE3 3.95Å; Y251-W254 HydrophobicContact CE2-CE3 3.95Å; Y251-W254 AromaticContact CE2-CZ3 3.73Å; Y251-W254 HydrophobicContact CE2-CZ3 3.73Å; Y251-W254 AromaticContact CZ-CZ3 3.77Å; Y251-W254 WeakPolarHBondContact O-CB 3.39Å; Y251-W254 PolarHBondContact O-N 3.43Å; Y251-L255 PolarHBondContact O-N 2.9Å
252Q97.7Very high93.2Very high1 Ų141.2 Ų41.21%0.00525%0.25CS..Hα-helixtrans-65.7-33.7179.1-156.2-178.864.300111.6L232 S235 I239 C248 W249 L255 T256L232-Q252 HydrophobicContact CD1-CG 3.87Å; L232-Q252 PolarHBondContact O-NE2 2.91Å; S235-Q252 VanDerWaalsContact OG-CG 3.3Å; S235-Q252 WeakPolarHBondContact OG-CG 3.28Å; S235-Q252 PolarHBondContact OG-NE2 3.38Å; S235-Q252 VanDerWaalsContact OG-NE2 3.11Å; I239-Q252 HydrophobicContact CD1-CB 4.14Å; C248-Q252 VanDerWaalsContact O-CB 3.31Å; C248-Q252 WeakPolarHBondContact O-CB 3.4Å; C248-Q252 PolarHBondContact O-N 2.85Å; W249-Q252 PolarHBondContact O-N 3.08Å; Q252-L255 PolarHBondContact O-N 3.23Å; Q252-T256 HydrophobicContact CG-CG2 4.27Å; Q252-T256 WeakPolarHBondContact O-CB 3.28Å; Q252-T256 VanDerWaalsContact O-CG2 3.29Å; Q252-T256 WeakPolarHBondContact O-CG2 3.48Å; Q252-T256 PolarHBondContact O-N 2.92Å; Q252-T256 PolarHBondContact O-OG1 3.39Å
253N96.3Very high93.1Very high10 Ų1039.1 Ų39.15%0.05324%0.238CC..Hα-helixtrans-65.9-39174.5-69.3-12.5000111.8W249 Y251 T257 S404 M407 R408W249-N253 VanDerWaalsContact O-CB 3.23Å; W249-N253 WeakPolarHBondContact O-CB 3.21Å; W249-N253 PolarHBondContact O-N 3.31Å; W249-N253 PolarHBondContact O-ND2 3.36Å; W249-N253 PolarHBondContact O-OD1 2.89Å; Y251-N253 VanDerWaalsContact C-N 3.28Å; Y251-N253 PolarHBondContact O-N 3.07Å; N253-T257 VanDerWaalsContact O-CB 3.25Å; N253-T257 WeakPolarHBondContact O-CB 3.41Å; N253-T257 PolarHBondContact O-N 3.14Å; N253-T257 VanDerWaalsContact O-N 3.13Å; N253-T257 PolarHBondContact O-OG1 3.44Å; N253-S404 PolarHBondContact ND2-OG 3.39Å; N253-S404 PolarHBondContact OD1-OG 3.24Å; N253-M407 HydrophobicContact CB-SD 3.68Å; N253-M407 PolarHBondContact ND2-SD 2.85Å; N253-M407 VanDerWaalsContact ND2-SD 3.42Å; N253-R408 PolarHBondContact OD1-NH1 3.34Å
254W95.9Very high92.7Very high67 Ų6740.6 Ų40.625%0.25425%0.248SC..Hα-helixtrans-61-45.8168.6158.975.1000111.8S207 S211 P222 V223 L250 Y251 T256S207-W254 VanDerWaalsContact CB-CE3 3.46Å; S207-W254 VanDerWaalsContact CB-CZ3 3.45Å; S207-W254 WeakPolarHBondContact O-CZ2 3.42Å; S211-W254 WeakPolarHBondContact OG-CZ2 3.37Å; P222-W254 HydrophobicContact CB-CZ2 3.96Å; V223-W254 HydrophobicContact CG1-CH2 3.94Å; V223-W254 HydrophobicContact CG1-CZ2 4.3Å; L250-W254 PolarHBondContact O-N 2.81Å; Y251-W254 HydrophobicContact CD2-CE3 4.1Å; Y251-W254 HydrophobicContact CD2-CZ3 4.34Å; Y251-W254 HydrophobicContact CE1-CZ3 4.39Å; Y251-W254 AromaticContact CE2-CE3 3.95Å; Y251-W254 HydrophobicContact CE2-CE3 3.95Å; Y251-W254 AromaticContact CE2-CZ3 3.73Å; Y251-W254 HydrophobicContact CE2-CZ3 3.73Å; Y251-W254 AromaticContact CZ-CZ3 3.77Å; Y251-W254 WeakPolarHBondContact O-CB 3.39Å; Y251-W254 PolarHBondContact O-N 3.43Å; W254-T256 VanDerWaalsContact C-N 3.3Å; W254-T256 PolarHBondContact O-N 3.22Å
255L97.4Very high92.5Very high1 Ų135.4 Ų35.41%0.00522%0.22CC..Hα-helixtrans-64.1-35.1-176.3-175.467.1000112.8P222 V223 F228 E231 L232 Y251 Q252P222-L255 HydrophobicContact CG-CD1 4.27Å; P222-L255 VanDerWaalsContact CG-O 3.31Å; P222-L255 WeakPolarHBondContact CG-O 3.44Å; V223-L255 HydrophobicContact CG2-CD1 3.89Å; F228-L255 HydrophobicContact CD2-CD1 3.76Å; F228-L255 HydrophobicContact CD2-CD2 4.31Å; F228-L255 HydrophobicContact CD2-CG 3.7Å; F228-L255 HydrophobicContact CE2-CD1 4.42Å; F228-L255 HydrophobicContact CE2-CD2 4.46Å; F228-L255 HydrophobicContact CE2-CG 3.88Å; F228-L255 WeakPolarHBondContact CE2-O 3.43Å; E231-L255 HydrophobicContact CB-CD1 4.21Å; E231-L255 HydrophobicContact CB-CD2 3.67Å; L232-L255 HydrophobicContact CB-CD2 4.04Å; Y251-L255 PolarHBondContact O-N 2.9Å; Q252-L255 PolarHBondContact O-N 3.23Å
256T95.6Very high92.3Very high6 Ų636.4 Ų36.44%0.03722%0.224CC..Hα-helixtrans-101-4.9-172.158.10000114.3F228 L232 Q252 W254 L381 R408F228-T256 HydrophobicContact CE2-CG2 4.37Å; L232-T256 HydrophobicContact CD1-CG2 3.88Å; Q252-T256 HydrophobicContact CG-CG2 4.27Å; Q252-T256 WeakPolarHBondContact O-CB 3.28Å; Q252-T256 VanDerWaalsContact O-CG2 3.29Å; Q252-T256 WeakPolarHBondContact O-CG2 3.48Å; Q252-T256 PolarHBondContact O-N 2.92Å; Q252-T256 PolarHBondContact O-OG1 3.39Å; W254-T256 VanDerWaalsContact C-N 3.3Å; W254-T256 PolarHBondContact O-N 3.22Å; T256-L381 HydrophobicContact CG2-CD2 3.39Å; T256-R408 PolarHBondContact OG1-NE 2.86Å; T256-R408 PolarHBondContact OG1-NH1 3.03Å
257T92Very high92Very high60 Ų6033.4 Ų33.437%0.36821%0.209SC..SBendtrans-94.6124.8173.7-57.30000109.2N253N253-T257 VanDerWaalsContact O-CB 3.25Å; N253-T257 WeakPolarHBondContact O-CB 3.41Å; N253-T257 PolarHBondContact O-N 3.14Å; N253-T257 VanDerWaalsContact O-N 3.13Å; N253-T257 PolarHBondContact O-OG1 3.44Å
258P89.8Confident91.9Very high42 Ų4233.2 Ų33.227%0.27321%0.208SC..PPolyproline II helixtrans-55.8131.3176.2-25.834.1000111.5G220 L373 V411G220-P258 WeakPolarHBondContact O-CA 3.12Å; P258-L373 HydrophobicContact CG-CD2 4.3Å; P258-V411 HydrophobicContact CG-CG1 4.2Å
259P88.2Confident91.8Very high62 Ų6233.2 Ų33.240%0.40321%0.207SC..PPolyproline II helixtrans-63.6142.6176.327.3-32.4000109.9G220 G261G220-P259 VanDerWaalsContact C-CD 3.48Å; G220-P259 WeakPolarHBondContact O-CD 3.3Å; P259-G261 PolarHBondContact O-N 2.58Å; P259-G261 VanDerWaalsContact O-N 3.07Å
260V81.1Confident91.7Very high108 Ų10833.2 Ų33.266%0.65521%0.207SC*.  trans-65.4112.7167.3-175.40000106.6
261G81.2Confident91.6Very high49 Ų4929.2 Ų29.251%0.50519%0.187SC..  trans-64.8-168.1177.700000113P259 Q283P259-G261 PolarHBondContact O-N 2.58Å; P259-G261 VanDerWaalsContact O-N 3.07Å; G261-Q283 PolarHBondContact O-NE2 3.47Å
262G85.3Confident91.3Very high57 Ų5731 Ų3159%0.58820%0.198SC*.SBendtrans-56.7165174.800000113.2T264 N282G262-T264 PolarHBondContact O-N 3.07Å; G262-N282 PolarHBondContact O-ND2 3.38Å
263I91Very high91Very high29 Ų2933.8 Ų33.815%0.14922%0.215CC..  trans-61127.4174.6-64165.1000108.9F281 N282 Q283 V285 M289 I337 S342I263-F281 HydrophobicContact CG2-CD1 4.12Å; I263-N282 WeakPolarHBondContact CA-OD1 3.41Å; I263-Q283 HydrophobicContact CG1-CG 3.7Å; I263-Q283 VanDerWaalsContact CG1-NE2 3.26Å; I263-V285 HydrophobicContact CD1-CG1 3.86Å; I263-V285 HydrophobicContact CG1-CG1 4.11Å; I263-V285 HydrophobicContact CG2-CG1 3.6Å; I263-M289 HydrophobicContact CD1-CE 3.32Å; I263-M289 HydrophobicContact CD1-SD 4.35Å; I263-I337 HydrophobicContact CB-CG2 3.97Å; I263-I337 HydrophobicContact CG2-CD1 3.78Å; I263-I337 HydrophobicContact CG2-CG1 4.13Å; I263-I337 HydrophobicContact CG2-CG2 3.98Å; I263-S342 PolarHBondContact O-OG 3.48Å
264T88.4Confident90.7Very high46 Ų4634.6 Ų34.628%0.28222%0.222SC..  trans-134.3144.5173.959.80000110G262 Q266 F281 N282G262-T264 PolarHBondContact O-N 3.07Å; T264-Q266 PolarHBondContact O-N 2.94Å; T264-F281 VanDerWaalsContact O-CA 3.29Å; T264-F281 WeakPolarHBondContact O-CA 3.26Å; T264-N282 PolarHBondContact N-OD1 2.94Å; T264-N282 PolarHBondContact O-N 3.49Å; T264-N282 VanDerWaalsContact O-N 3.09Å; T264-N282 PolarHBondContact O-OD1 3.42Å
265I90.7Very high90.6Very high4 Ų431.6 Ų31.62%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-68.9122162.7-17175.1000107.7R267 I268 L279 C280 F281 V335 T344 W360I265-R267 WeakPolarHBondContact CD1-O 3.14Å; I265-I268 HydrophobicContact CD1-CG1 4.19Å; I265-I268 HydrophobicContact CG1-CD1 4.29Å; I265-I268 HydrophobicContact CG1-CG1 3.87Å; I265-L279 HydrophobicContact CD1-CB 3.87Å; I265-L279 HydrophobicContact CD1-CD2 4.23Å; I265-C280 WeakPolarHBondContact CD1-O 2.98Å; I265-F281 HydrophobicContact CB-CD1 4.4Å; I265-F281 HydrophobicContact CB-CE1 4.32Å; I265-F281 HydrophobicContact CD1-CD1 4.08Å; I265-F281 HydrophobicContact CD1-CE1 3.78Å; I265-F281 HydrophobicContact CD1-CE2 4.42Å; I265-F281 HydrophobicContact CD1-CZ 3.96Å; I265-V335 HydrophobicContact CB-CG1 4.27Å; I265-V335 HydrophobicContact CD1-CG1 4.44Å; I265-V335 HydrophobicContact CG1-CG1 4.5Å; I265-T344 HydrophobicContact CG2-CG2 3.93Å; I265-T344 VanDerWaalsContact CG2-OG1 3.24Å; I265-T344 WeakPolarHBondContact CG2-OG1 3.31Å; I265-W360 HydrophobicContact CG1-CZ3 4.25Å; I265-W360 HydrophobicContact CG2-CH2 4.06Å; I265-W360 HydrophobicContact CG2-CZ3 4.06Å
266Q88.7Confident90.4Very high49 Ų4931.7 Ų31.723%0.22921%0.212CC..EExtended strand (participates in β ladder)trans-92.4-37.4176.1-77.2-173.8-33.300111.7T264 C280 N282 H361 V362T264-Q266 PolarHBondContact O-N 2.94Å; Q266-C280 WeakPolarHBondContact CA-O 3.11Å; Q266-C280 PolarHBondContact N-O 3.39Å; Q266-N282 HydrophobicContact CG-CB 3.78Å; Q266-N282 VanDerWaalsContact NE2-CB 3.33Å; Q266-H361 WeakPolarHBondContact O-CA 3.35Å; Q266-H361 PolarHBondContact O-CD2 3.24Å; Q266-V362 PolarHBondContact O-N 3.21Å
267R89.5Confident90.3Very high14 Ų1431.4 Ų31.45%0.05321%0.211CC..EExtended strand (participates in β ladder)trans-151149.1-176.7-161.4-175.3-83.778.59.1112.3I265 C280 W360 H361 S479 D480I265-R267 WeakPolarHBondContact CD1-O 3.14Å; R267-C280 HydrophobicContact CB-CB 4Å; R267-C280 PolarHBondContact N-O 3.43Å; R267-C280 VanDerWaalsContact N-O 3.1Å; R267-C280 PolarHBondContact O-N 2.98Å; R267-W360 VanDerWaalsContact CA-O 3.26Å; R267-W360 WeakPolarHBondContact CA-O 3.18Å; R267-W360 WeakPolarHBondContact CG-O 3.25Å; R267-H361 VanDerWaalsContact CZ-CD2 3.45Å; R267-H361 PolarHBondContact NH2-CD2 3.08Å; R267-H361 PolarHBondContact NH2-NE2 3.32Å; R267-S479 PolarHBondContact NH1-O 3.46Å; R267-D480 VanDerWaalsContact CZ-C 3.5Å; R267-D480 IonicContact CZ-OD1 3.53Å; R267-D480 PolarHBondContact NE-O 3.27Å; R267-D480 IonicContact NH1-OD1 3.22Å; R267-D480 PolarHBondContact NH1-OD1 3.08Å; R267-D480 VanDerWaalsContact NH2-CA 3.31Å; R267-D480 PolarHBondContact NH2-O 3.06Å; R267-D480 IonicContact NH2-OD1 2.82Å; R267-D480 PolarHBondContact NH2-OD1 3.49Å
268I93.6Very high90.4Very high0 Ų028.8 Ų28.80%019%0.194CC..EExtended strand (participates in β ladder)trans-128135.7166.6-55.8-174.9000107.4I265 V277 V278 L279 F331 V335 I346 M351 Y359 W360I265-I268 HydrophobicContact CD1-CG1 4.19Å; I265-I268 HydrophobicContact CG1-CD1 4.29Å; I265-I268 HydrophobicContact CG1-CG1 3.87Å; I268-V277 HydrophobicContact CG2-CG1 4.41Å; I268-V278 CarbonylContact C-O 3.47Å; I268-V278 VanDerWaalsContact CA-O 3.3Å; I268-V278 WeakPolarHBondContact CA-O 3.36Å; I268-L279 HydrophobicContact CB-CD2 4.34Å; I268-L279 HydrophobicContact CD1-CD2 3.97Å; I268-L279 HydrophobicContact CG1-CD2 3.75Å; I268-L279 HydrophobicContact CG2-CD2 3.99Å; I268-F331 HydrophobicContact CG2-CE1 4.47Å; I268-F331 HydrophobicContact CG2-CZ 4.29Å; I268-V335 HydrophobicContact CD1-CG2 3.67Å; I268-I346 HydrophobicContact CD1-CD1 3.41Å; I268-I346 VanDerWaalsContact CD1-CD1 3.41Å; I268-I346 HydrophobicContact CD1-CG1 3.97Å; I268-M351 HydrophobicContact CB-CE 4.48Å; I268-M351 HydrophobicContact CG2-CE 4.24Å; I268-Y359 CarbonylContact O-C 3.57Å; I268-Y359 VanDerWaalsContact O-CA 3.27Å; I268-Y359 WeakPolarHBondContact O-CA 3.45Å; I268-W360 HydrophobicContact CB-CE3 4.45Å; I268-W360 HydrophobicContact CG1-CE3 4.11Å; I268-W360 PolarHBondContact N-O 2.76Å; I268-W360 PolarHBondContact O-N 3.25Å
269S93.9Very high90.6Very high2 Ų226.8 Ų26.81%0.01418%0.181CC..EExtended strand (participates in β ladder)trans-132.5146.6167.458.60000111.1V277 V278 R358 H505S269-V277 CarbonylContact O-C 3.49Å; S269-V277 WeakPolarHBondContact O-CA 3.43Å; S269-V278 PolarHBondContact N-O 3.5Å; S269-V278 PolarHBondContact O-N 2.9Å; S269-R358 CarbonylContact C-O 3.59Å; S269-R358 VanDerWaalsContact CA-O 3.26Å; S269-R358 WeakPolarHBondContact CA-O 3.4Å; S269-H505 PolarHBondContact OG-CD2 3.47Å; S269-H505 VanDerWaalsContact OG-CD2 3.3Å; S269-H505 PolarHBondContact OG-NE2 2.97Å
270V95Very high90.9Very high0 Ų024 Ų240%016%0.164CC..EExtended strand (participates in β ladder)trans-132.7129.2176.261.10000110V276 V277 L322 F331 M351 V357 R358V270-V276 CarbonylContact C-O 3.52Å; V270-V276 VanDerWaalsContact CA-O 3.23Å; V270-V276 WeakPolarHBondContact CA-O 3.11Å; V270-V277 HydrophobicContact CB-CG2 4.17Å; V270-V277 HydrophobicContact CG2-CG2 3.81Å; V270-L322 HydrophobicContact CG2-CD1 3.77Å; V270-F331 HydrophobicContact CB-CD2 4.49Å; V270-F331 HydrophobicContact CB-CE2 4.2Å; V270-F331 HydrophobicContact CB-CZ 4.39Å; V270-F331 HydrophobicContact CG1-CD1 4.39Å; V270-F331 HydrophobicContact CG1-CD2 4.31Å; V270-F331 HydrophobicContact CG1-CE1 4.46Å; V270-F331 HydrophobicContact CG1-CE2 4.37Å; V270-F331 HydrophobicContact CG1-CG 4.32Å; V270-F331 HydrophobicContact CG1-CZ 4.44Å; V270-F331 HydrophobicContact CG2-CD2 4.27Å; V270-F331 HydrophobicContact CG2-CE2 4.18Å; V270-M351 HydrophobicContact CG1-CE 4.19Å; V270-M351 HydrophobicContact CG1-SD 4.18Å; V270-V357 WeakPolarHBondContact O-CA 3.43Å; V270-R358 HydrophobicContact CG1-CB 3.84Å; V270-R358 PolarHBondContact N-O 3.17Å; V270-R358 PolarHBondContact O-N 3.23Å
271S94.6Very high91.4Very high0 Ų018.9 Ų18.90%013%0.133CC..EExtended strand (participates in β ladder)trans-75.8129.5171.4166.70000109.8T273 S274 G275 V276 I328 E527S271-T273 PolarHBondContact O-N 2.93Å; S271-T273 PolarHBondContact OG-N 3.43Å; S271-T273 VanDerWaalsContact OG-N 3.14Å; S271-T273 PolarHBondContact OG-OG1 3.14Å; S271-T273 VanDerWaalsContact OG-OG1 3.12Å; S271-S274 VanDerWaalsContact CB-OG 3.24Å; S271-S274 WeakPolarHBondContact CB-OG 3.46Å; S271-S274 PolarHBondContact OG-N 2.87Å; S271-S274 VanDerWaalsContact OG-N 3.08Å; S271-S274 PolarHBondContact OG-OG 3.33Å; S271-G275 VanDerWaalsContact O-CA 3.25Å; S271-G275 WeakPolarHBondContact O-CA 3.39Å; S271-G275 PolarHBondContact O-N 3.25Å; S271-V276 PolarHBondContact N-O 2.99Å; S271-I328 WeakPolarHBondContact O-CD1 3.29Å; S271-E527 WeakPolarHBondContact CB-OE1 3.48Å; S271-E527 PolarHBondContact OG-OE1 3.12Å
272T92.1Very high91.7Very high43 Ų4317.6 Ų17.626%0.26411%0.114SC..THydrogen-bonded Turntrans-75.6-6175.161.20000112.8I328 Q356 R358T272-I328 HydrophobicContact CG2-CG2 4.28Å; T272-I328 WeakPolarHBondContact O-CD1 3.26Å; T272-Q356 PolarHBondContact N-O 3.49Å; T272-Q356 VanDerWaalsContact OG1-C 3.29Å; T272-Q356 WeakPolarHBondContact OG1-CA 3.19Å; T272-Q356 PolarHBondContact OG1-O 2.74Å; T272-Q356 PolarHBondContact OG1-OE1 3.3Å; T272-R358 HydrophobicContact CG2-CG 3.94Å
273T90Very high92Very high61 Ų6117.7 Ų17.737%0.37410%0.099SC..THydrogen-bonded Turntrans-111.2-45.5-177.264.20000113.5S271 Q356 E527 R551S271-T273 PolarHBondContact O-N 2.93Å; S271-T273 PolarHBondContact OG-N 3.43Å; S271-T273 VanDerWaalsContact OG-N 3.14Å; S271-T273 PolarHBondContact OG-OG1 3.14Å; S271-T273 VanDerWaalsContact OG-OG1 3.12Å; T273-Q356 HydrophobicContact CG2-CB 3.83Å; T273-Q356 HydrophobicContact CG2-CG 3.89Å; T273-E527 PolarHBondContact OG1-OE1 2.68Å; T273-R551 PolarHBondContact OG1-NH1 3.18Å
274S91.5Very high92.1Very high27 Ų2718.8 Ų18.819%0.18911%0.112CC..THydrogen-bonded Turntrans-89.4-34.7175.361.30000111S271 V276 Q321 E527S271-S274 VanDerWaalsContact CB-OG 3.24Å; S271-S274 WeakPolarHBondContact CB-OG 3.46Å; S271-S274 PolarHBondContact OG-N 2.87Å; S271-S274 VanDerWaalsContact OG-N 3.08Å; S271-S274 PolarHBondContact OG-OG 3.33Å; S274-V276 VanDerWaalsContact OG-CG2 3.24Å; S274-V276 WeakPolarHBondContact OG-CG2 3.47Å; S274-V276 PolarHBondContact OG-N 3.41Å; S274-Q321 VanDerWaalsContact C-NE2 3.27Å; S274-Q321 PolarHBondContact O-NE2 3.32Å; S274-E527 WeakPolarHBondContact CB-OE1 3.37Å; S274-E527 PolarHBondContact OG-OE1 2.94Å
275G92.3Very high92.4Very high4 Ų416.6 Ų16.64%0.04110%0.099CC..  trans83.912.6-165.100000113.5S271 V277 Q321 L322S271-G275 VanDerWaalsContact O-CA 3.25Å; S271-G275 WeakPolarHBondContact O-CA 3.39Å; S271-G275 PolarHBondContact O-N 3.25Å; G275-V277 PolarHBondContact O-N 3.23Å; G275-Q321 PolarHBondContact O-NE2 2.87Å; G275-L322 WeakPolarHBondContact O-CB 3.45Å; G275-L322 WeakPolarHBondContact O-CG 3.23Å; G275-L322 PolarHBondContact O-N 2.75Å
276V93.4Very high92.6Very high3 Ų317.8 Ų17.82%0.01811%0.108CC..EExtended strand (participates in β ladder)trans-60.1130.5173.11710000108.3V270 S271 S274 V278 S320 Q321 L504 H505 I526V270-V276 CarbonylContact C-O 3.52Å; V270-V276 VanDerWaalsContact CA-O 3.23Å; V270-V276 WeakPolarHBondContact CA-O 3.11Å; S271-V276 PolarHBondContact N-O 2.99Å; S274-V276 VanDerWaalsContact OG-CG2 3.24Å; S274-V276 WeakPolarHBondContact OG-CG2 3.47Å; S274-V276 PolarHBondContact OG-N 3.41Å; V276-V278 HydrophobicContact CG1-CG2 3.91Å; V276-S320 WeakPolarHBondContact CA-O 3.21Å; V276-Q321 VanDerWaalsContact N-NE2 3.14Å; V276-L504 HydrophobicContact CG1-CB 4.41Å; V276-H505 PolarHBondContact O-CE1 3.29Å; V276-I526 HydrophobicContact CG2-CD1 3.61Å; V276-I526 HydrophobicContact CG2-CG1 4.2Å
277V94.2Very high92.8Very high0 Ų017.4 Ų17.40%011%0.113CC..EExtended strand (participates in β ladder)trans-112.4131.9173.1177.10000108.4I268 S269 V270 G275 L279 F292 W306 Y319 S320 L322 F331I268-V277 HydrophobicContact CG2-CG1 4.41Å; S269-V277 CarbonylContact O-C 3.49Å; S269-V277 WeakPolarHBondContact O-CA 3.43Å; V270-V277 HydrophobicContact CB-CG2 4.17Å; V270-V277 HydrophobicContact CG2-CG2 3.81Å; G275-V277 PolarHBondContact O-N 3.23Å; V277-L279 HydrophobicContact CG1-CD2 4.32Å; V277-F292 HydrophobicContact CG1-CE2 4.2Å; V277-F292 HydrophobicContact CG1-CZ 4.14Å; V277-W306 HydrophobicContact CG1-CH2 4.19Å; V277-Y319 CarbonylContact O-C 3.58Å; V277-Y319 WeakPolarHBondContact O-CA 3.48Å; V277-Y319 WeakPolarHBondContact O-CB 3.41Å; V277-S320 PolarHBondContact N-O 3.44Å; V277-S320 PolarHBondContact O-N 3.04Å; V277-L322 HydrophobicContact CG2-CD1 3.95Å; V277-L322 HydrophobicContact CG2-CD2 3.8Å; V277-L322 HydrophobicContact CG2-CG 3.62Å; V277-F331 HydrophobicContact CG2-CE2 3.94Å; V277-F331 HydrophobicContact CG2-CZ 4.49Å
278V94.4Very high93Very high4 Ų422.6 Ų22.62%0.02414%0.142CC..EExtended strand (participates in β ladder)trans-122.8128179.1-172.70000108.9I268 S269 V276 L317 W318 L504 H505I268-V278 CarbonylContact C-O 3.47Å; I268-V278 VanDerWaalsContact CA-O 3.3Å; I268-V278 WeakPolarHBondContact CA-O 3.36Å; S269-V278 PolarHBondContact N-O 3.5Å; S269-V278 PolarHBondContact O-N 2.9Å; V276-V278 HydrophobicContact CG1-CG2 3.91Å; V278-L317 HydrophobicContact CG1-CD1 3.96Å; V278-L317 HydrophobicContact CG1-CD2 3.57Å; V278-L317 HydrophobicContact CG1-CG 3.64Å; V278-W318 CarbonylContact C-O 3.21Å; V278-W318 WeakPolarHBondContact CA-O 3.05Å; V278-L504 HydrophobicContact CB-CD1 4.5Å; V278-L504 HydrophobicContact CG1-CD1 4.09Å; V278-L504 HydrophobicContact CG2-CB 4Å; V278-L504 HydrophobicContact CG2-CD1 3.63Å; V278-L504 HydrophobicContact CG2-CG 4.47Å; V278-H505 WeakPolarHBondContact CG2-NE2 3.21Å
279L94.2Very high93Very high0 Ų025 Ų250%015%0.154CC..EExtended strand (participates in β ladder)trans-107.6133.6172.9-56.3-176.3000109.1I265 I268 V277 F281 F290 F292 W306 L317 W318 V335I265-L279 HydrophobicContact CD1-CB 3.87Å; I265-L279 HydrophobicContact CD1-CD2 4.23Å; I268-L279 HydrophobicContact CB-CD2 4.34Å; I268-L279 HydrophobicContact CD1-CD2 3.97Å; I268-L279 HydrophobicContact CG1-CD2 3.75Å; I268-L279 HydrophobicContact CG2-CD2 3.99Å; V277-L279 HydrophobicContact CG1-CD2 4.32Å; L279-F281 HydrophobicContact CB-CE2 4Å; L279-F281 HydrophobicContact CB-CZ 4.26Å; L279-F281 HydrophobicContact CD1-CZ 4.37Å; L279-F290 HydrophobicContact CD1-CD2 4Å; L279-F290 HydrophobicContact CD1-CE2 3.56Å; L279-F290 HydrophobicContact CD1-CZ 4.31Å; L279-F292 HydrophobicContact CD1-CB 4.44Å; L279-F292 HydrophobicContact CD1-CD2 4Å; L279-F292 HydrophobicContact CD2-CD2 4.04Å; L279-F292 HydrophobicContact CD2-CE2 4.11Å; L279-W306 HydrophobicContact CB-CZ3 4.5Å; L279-W306 HydrophobicContact CD1-CE3 4.31Å; L279-W306 HydrophobicContact CD1-CH2 3.36Å; L279-W306 HydrophobicContact CD1-CZ2 3.65Å; L279-W306 HydrophobicContact CD1-CZ3 3.72Å; L279-W306 HydrophobicContact CD2-CH2 4.31Å; L279-W306 HydrophobicContact CG-CH2 3.56Å; L279-W306 HydrophobicContact CG-CZ2 4.35Å; L279-W306 HydrophobicContact CG-CZ3 3.67Å; L279-L317 VanDerWaalsContact O-CA 3.3Å; L279-L317 WeakPolarHBondContact O-CA 3.32Å; L279-W318 PolarHBondContact N-O 3.42Å; L279-W318 PolarHBondContact O-N 3.15Å; L279-V335 HydrophobicContact CD2-CG2 4.3Å
280C93.1Very high93Very high5 Ų525.1 Ų25.13%0.03415%0.154CC..EExtended strand (participates in β ladder)trans-125.3128.1175.4172.80000110.5I265 Q266 R267 R316 S479I265-C280 WeakPolarHBondContact CD1-O 2.98Å; Q266-C280 WeakPolarHBondContact CA-O 3.11Å; Q266-C280 PolarHBondContact N-O 3.39Å; R267-C280 HydrophobicContact CB-CB 4Å; R267-C280 PolarHBondContact N-O 3.43Å; R267-C280 VanDerWaalsContact N-O 3.1Å; R267-C280 PolarHBondContact O-N 2.98Å; C280-R316 CarbonylContact C-O 3.12Å; C280-R316 VanDerWaalsContact CA-O 3.3Å; C280-R316 WeakPolarHBondContact CA-O 3.07Å; C280-S479 WeakPolarHBondContact SG-CB 3.42Å; C280-S479 PolarHBondContact SG-OG 3.38Å
281F92Very high92.9Very high0 Ų028.7 Ų28.70%017%0.173CC..EExtended strand (participates in β ladder)trans-108.3156.3178.6-57.4-87.5000111.4I263 T264 I265 L279 Q283 V285 F290 R316 W318 V335 I337I263-F281 HydrophobicContact CG2-CD1 4.12Å; T264-F281 VanDerWaalsContact O-CA 3.29Å; T264-F281 WeakPolarHBondContact O-CA 3.26Å; I265-F281 HydrophobicContact CB-CD1 4.4Å; I265-F281 HydrophobicContact CB-CE1 4.32Å; I265-F281 HydrophobicContact CD1-CD1 4.08Å; I265-F281 HydrophobicContact CD1-CE1 3.78Å; I265-F281 HydrophobicContact CD1-CE2 4.42Å; I265-F281 HydrophobicContact CD1-CZ 3.96Å; L279-F281 HydrophobicContact CB-CE2 4Å; L279-F281 HydrophobicContact CB-CZ 4.26Å; L279-F281 HydrophobicContact CD1-CZ 4.37Å; F281-Q283 WeakPolarHBondContact CB-O 3.37Å; F281-Q283 PolarHBondContact O-N 2.88Å; F281-V285 HydrophobicContact CB-CG1 4.31Å; F281-V285 HydrophobicContact CB-CG2 4.5Å; F281-V285 HydrophobicContact CD1-CG2 4.42Å; F281-V285 HydrophobicContact CD2-CG2 3.45Å; F281-V285 VanDerWaalsContact CD2-CG2 3.45Å; F281-V285 HydrophobicContact CE2-CG2 3.66Å; F281-V285 HydrophobicContact CG-CG1 4.26Å; F281-V285 HydrophobicContact CG-CG2 3.88Å; F281-V285 HydrophobicContact CZ-CG2 4.23Å; F281-F290 HydrophobicContact CE1-CB 4.14Å; F281-F290 HydrophobicContact CE1-CD1 4.4Å; F281-F290 HydrophobicContact CE1-CG 4.22Å; F281-F290 AromaticContact CE2-CD1 3.89Å; F281-F290 HydrophobicContact CE2-CD1 3.89Å; F281-F290 AromaticContact CE2-CE1 3.91Å; F281-F290 HydrophobicContact CE2-CE1 3.91Å; F281-F290 HydrophobicContact CE2-CG 4.27Å; F281-F290 HydrophobicContact CE2-CZ 4.31Å; F281-F290 HydrophobicContact CZ-CB 3.94Å; F281-F290 AromaticContact CZ-CD1 3.57Å; F281-F290 HydrophobicContact CZ-CD1 3.57Å; F281-F290 AromaticContact CZ-CD2 3.89Å; F281-F290 HydrophobicContact CZ-CD2 3.89Å; F281-F290 AromaticContact CZ-CE1 3.99Å; F281-F290 HydrophobicContact CZ-CE1 3.99Å; F281-F290 HydrophobicContact CZ-CE2 4.3Å; F281-F290 AromaticContact CZ-CG 3.51Å; F281-F290 HydrophobicContact CZ-CG 3.51Å; F281-F290 HydrophobicContact CZ-CZ 4.34Å; F281-R316 PolarHBondContact N-O 2.89Å; F281-W318 AromaticContact CE2-CD1 3.86Å; F281-V335 HydrophobicContact CE1-CG1 4.35Å; F281-I337 HydrophobicContact CD1-CD1 4.12Å; F281-I337 HydrophobicContact CE1-CD1 3.68Å
282N88.5Confident92.9Very high22 Ų2229.3 Ų29.312%0.11818%0.176CC..EExtended strand (participates in β ladder)trans-64-22.4176.166.4-27.1000114G262 I263 T264 Q266G262-N282 PolarHBondContact O-ND2 3.38Å; I263-N282 WeakPolarHBondContact CA-OD1 3.41Å; T264-N282 PolarHBondContact N-OD1 2.94Å; T264-N282 PolarHBondContact O-N 3.49Å; T264-N282 VanDerWaalsContact O-N 3.09Å; T264-N282 PolarHBondContact O-OD1 3.42Å; Q266-N282 HydrophobicContact CG-CB 3.78Å; Q266-N282 VanDerWaalsContact NE2-CB 3.33Å
283Q90.3Very high92.8Very high58 Ų5830.7 Ų30.727%0.27118%0.184SC..EExtended strand (participates in β ladder)trans-142.9167.7178.964.6-170.2-53.500111.2G261 I263 F281 V285G261-Q283 PolarHBondContact O-NE2 3.47Å; I263-Q283 HydrophobicContact CG1-CG 3.7Å; I263-Q283 VanDerWaalsContact CG1-NE2 3.26Å; F281-Q283 WeakPolarHBondContact CB-O 3.37Å; F281-Q283 PolarHBondContact O-N 2.88Å; Q283-V285 PolarHBondContact O-N 2.91Å
284A93.1Very high92.8Very high52 Ų5228 Ų2843%0.4317%0.168SC..EExtended strand (participates in β ladder)trans-72.2129.7-177.600000109.9R316A284-R316 HydrophobicContact CB-CG 4.33Å
285V94.7Very high92.4Very high1 Ų130.6 Ų30.61%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-125.7150179.1-57.10000109.9I263 F281 Q283 M289 F290 S314 S315 W318I263-V285 HydrophobicContact CD1-CG1 3.86Å; I263-V285 HydrophobicContact CG1-CG1 4.11Å; I263-V285 HydrophobicContact CG2-CG1 3.6Å; F281-V285 HydrophobicContact CB-CG1 4.31Å; F281-V285 HydrophobicContact CB-CG2 4.5Å; F281-V285 HydrophobicContact CD1-CG2 4.42Å; F281-V285 HydrophobicContact CD2-CG2 3.45Å; F281-V285 VanDerWaalsContact CD2-CG2 3.45Å; F281-V285 HydrophobicContact CE2-CG2 3.66Å; F281-V285 HydrophobicContact CG-CG1 4.26Å; F281-V285 HydrophobicContact CG-CG2 3.88Å; F281-V285 HydrophobicContact CZ-CG2 4.23Å; Q283-V285 PolarHBondContact O-N 2.91Å; V285-M289 HydrophobicContact CB-CB 4.2Å; V285-M289 HydrophobicContact CB-SD 3.99Å; V285-M289 HydrophobicContact CG1-SD 4.43Å; V285-F290 HydrophobicContact CG2-CD1 3.85Å; V285-F290 HydrophobicContact CG2-CE1 4.06Å; V285-S314 CarbonylContact O-C 3.14Å; V285-S314 WeakPolarHBondContact O-CA 3.49Å; V285-S315 PolarHBondContact N-O 2.98Å; V285-S315 PolarHBondContact O-N 3.3Å; V285-S315 VanDerWaalsContact O-O 3.14Å; V285-W318 WeakPolarHBondContact O-CZ2 3.37Å; V285-W318 PolarHBondContact O-NE1 3.06Å
286S95.9Very high91.4Very high28 Ų2834.3 Ų34.320%0.19622%0.215CC..  trans-84.6160.2165.555.90000110.7D288 M289 T313S286-D288 WeakPolarHBondContact CB-OD1 3.24Å; S286-D288 PolarHBondContact O-N 3.4Å; S286-D288 VanDerWaalsContact O-N 3.16Å; S286-D288 PolarHBondContact OG-OD1 3.28Å; S286-M289 PolarHBondContact N-SD 2.94Å; S286-M289 WeakPolarHBondContact O-CB 3.38Å; S286-M289 PolarHBondContact O-N 2.98Å; S286-M289 VanDerWaalsContact OG-CG 3.31Å; S286-M289 WeakPolarHBondContact OG-CG 3.34Å; S286-T313 WeakPolarHBondContact CA-O 3.32Å; S286-T313 VanDerWaalsContact CB-O 3.28Å; S286-T313 WeakPolarHBondContact CB-O 3.29Å
287A92.7Very high90.1Very high42 Ų4237.5 Ų37.535%0.34723%0.227SC..G310 helixtrans-62.8-20.4-174.800000114W306 W318A287-W306 HydrophobicContact CB-CB 4.44Å; A287-W318 HydrophobicContact CB-CE3 4.43Å; A287-W318 HydrophobicContact CB-CH2 3.84Å; A287-W318 HydrophobicContact CB-CZ2 4.23Å; A287-W318 HydrophobicContact CB-CZ3 3.95Å
288D92.7Very high87.9Confident123 Ų12344.8 Ų44.866%0.65827%0.271SS*.G310 helixtrans-83.2-7.6176.258-57.3000113.9S286S286-D288 WeakPolarHBondContact CB-OD1 3.24Å; S286-D288 PolarHBondContact O-N 3.4Å; S286-D288 VanDerWaalsContact O-N 3.16Å; S286-D288 PolarHBondContact OG-OD1 3.28Å
289M95.1Very high85.5Confident50 Ų5049.1 Ų49.125%0.24630%0.301CS..G310 helixtrans-87.9-7.5-178.5-60.2-177.481.600113.9I263 V285 S286 V338I263-M289 HydrophobicContact CD1-CE 3.32Å; I263-M289 HydrophobicContact CD1-SD 4.35Å; V285-M289 HydrophobicContact CB-CB 4.2Å; V285-M289 HydrophobicContact CB-SD 3.99Å; V285-M289 HydrophobicContact CG1-SD 4.43Å; S286-M289 PolarHBondContact N-SD 2.94Å; S286-M289 WeakPolarHBondContact O-CB 3.38Å; S286-M289 PolarHBondContact O-N 2.98Å; S286-M289 VanDerWaalsContact OG-CG 3.31Å; S286-M289 WeakPolarHBondContact OG-CG 3.34Å; M289-V338 PolarHBondContact O-N 3.44Å
290F94.3Very high83.2Confident5 Ų550.3 Ų50.32%0.02231%0.309CS..EExtended strand (participates in β ladder)trans-140.7147179.769.5-89.9000111.9L279 F281 V285 W306 W318 E336 I337L279-F290 HydrophobicContact CD1-CD2 4Å; L279-F290 HydrophobicContact CD1-CE2 3.56Å; L279-F290 HydrophobicContact CD1-CZ 4.31Å; F281-F290 HydrophobicContact CE1-CB 4.14Å; F281-F290 HydrophobicContact CE1-CD1 4.4Å; F281-F290 HydrophobicContact CE1-CG 4.22Å; F281-F290 AromaticContact CE2-CD1 3.89Å; F281-F290 HydrophobicContact CE2-CD1 3.89Å; F281-F290 AromaticContact CE2-CE1 3.91Å; F281-F290 HydrophobicContact CE2-CE1 3.91Å; F281-F290 HydrophobicContact CE2-CG 4.27Å; F281-F290 HydrophobicContact CE2-CZ 4.31Å; F281-F290 HydrophobicContact CZ-CB 3.94Å; F281-F290 AromaticContact CZ-CD1 3.57Å; F281-F290 HydrophobicContact CZ-CD1 3.57Å; F281-F290 AromaticContact CZ-CD2 3.89Å; F281-F290 HydrophobicContact CZ-CD2 3.89Å; F281-F290 AromaticContact CZ-CE1 3.99Å; F281-F290 HydrophobicContact CZ-CE1 3.99Å; F281-F290 HydrophobicContact CZ-CE2 4.3Å; F281-F290 AromaticContact CZ-CG 3.51Å; F281-F290 HydrophobicContact CZ-CG 3.51Å; F281-F290 HydrophobicContact CZ-CZ 4.34Å; V285-F290 HydrophobicContact CG2-CD1 3.85Å; V285-F290 HydrophobicContact CG2-CE1 4.06Å; F290-W306 AromaticContact CE2-CD1 3.86Å; F290-W306 AromaticContact CE2-CD2 3.88Å; F290-W306 HydrophobicContact CE2-CD2 3.88Å; F290-W306 AromaticContact CE2-CE2 3.74Å; F290-W306 HydrophobicContact CE2-CG 4Å; F290-W306 HydrophobicContact CE2-CZ2 4.35Å; F290-W306 AromaticContact CE2-NE1 3.69Å; F290-W306 HydrophobicContact CZ-CB 4.29Å; F290-W306 AromaticContact CZ-CD1 4Å; F290-W306 AromaticContact CZ-CD2 3.93Å; F290-W306 HydrophobicContact CZ-CD2 3.93Å; F290-W306 HydrophobicContact CZ-CE3 4.47Å; F290-W306 AromaticContact CZ-CG 3.8Å; F290-W306 HydrophobicContact CZ-CG 3.8Å; F290-W318 HydrophobicContact CE1-CB 4.41Å; F290-W318 AromaticContact CE1-CD1 3.69Å; F290-W318 HydrophobicContact CE1-CD2 4.24Å; F290-W318 AromaticContact CE1-CG 3.86Å; F290-W318 HydrophobicContact CE1-CG 3.86Å; F290-W318 AromaticContact CE1-NE1 3.95Å; F290-W318 HydrophobicContact CZ-CB 3.93Å; F290-W318 HydrophobicContact CZ-CD2 4.32Å; F290-W318 AromaticContact CZ-CG 3.84Å; F290-W318 HydrophobicContact CZ-CG 3.84Å; F290-E336 CarbonylContact C-O 3.56Å; F290-E336 WeakPolarHBondContact CA-O 3.2Å; F290-I337 HydrophobicContact CB-CD1 4Å
291N92.8Very high81.1Confident74 Ų7455.4 Ų55.440%0.39635%0.345SS..EExtended strand (participates in β ladder)trans-108.7140170.1-62.7-43000109.4V335 E336N291-V335 WeakPolarHBondContact O-CA 3.49Å; N291-E336 HydrophobicContact CB-CB 4.31Å; N291-E336 PolarHBondContact N-O 3.09Å; N291-E336 PolarHBondContact ND2-OE2 3.02Å; N291-E336 PolarHBondContact O-N 2.89Å
292F93.2Very high79.2Confident14 Ų1462.3 Ų62.36%0.06138%0.382CS..EExtended strand (participates in β ladder)trans-122.4121172.3177.1-89000109V277 L279 L294 F304 W306 F331 C333 V334 V335V277-F292 HydrophobicContact CG1-CE2 4.2Å; V277-F292 HydrophobicContact CG1-CZ 4.14Å; L279-F292 HydrophobicContact CD1-CB 4.44Å; L279-F292 HydrophobicContact CD1-CD2 4Å; L279-F292 HydrophobicContact CD2-CD2 4.04Å; L279-F292 HydrophobicContact CD2-CE2 4.11Å; F292-L294 HydrophobicContact CE1-CD1 4.41Å; F292-L294 HydrophobicContact CE1-CD2 3.75Å; F292-L294 HydrophobicContact CE1-CG 3.68Å; F292-L294 HydrophobicContact CZ-CD2 3.77Å; F292-L294 HydrophobicContact CZ-CG 4.24Å; F292-F304 HydrophobicContact CD1-CD2 4.3Å; F292-F304 HydrophobicContact CD1-CE2 4.37Å; F292-F304 HydrophobicContact CD1-CG 4.41Å; F292-F304 HydrophobicContact CE1-CE1 4.18Å; F292-F304 HydrophobicContact CE1-CE2 4.21Å; F292-F304 HydrophobicContact CE1-CZ 4.03Å; F292-W306 HydrophobicContact CB-CZ2 3.51Å; F292-W306 HydrophobicContact CD1-CH2 4.45Å; F292-W306 AromaticContact CD1-CZ2 3.79Å; F292-W306 HydrophobicContact CD1-CZ2 3.79Å; F292-W306 HydrophobicContact CD2-CH2 4.21Å; F292-W306 AromaticContact CD2-CZ2 3.98Å; F292-W306 HydrophobicContact CD2-CZ2 3.98Å; F292-W306 HydrophobicContact CE1-CZ2 4.46Å; F292-W306 HydrophobicContact CG-CH2 4.17Å; F292-W306 AromaticContact CG-CZ2 3.51Å; F292-W306 HydrophobicContact CG-CZ2 3.51Å; F292-F331 HydrophobicContact CZ-CE2 4.46Å; F292-F331 HydrophobicContact CZ-CZ 4.33Å; F292-C333 HydrophobicContact CD2-CB 4.32Å; F292-C333 HydrophobicContact CE1-CB 4.47Å; F292-C333 HydrophobicContact CE2-CB 3.52Å; F292-C333 HydrophobicContact CZ-CB 3.61Å; F292-V334 WeakPolarHBondContact CA-O 3.28Å; F292-V335 HydrophobicContact CD2-CG2 3.92Å
293T90.9Very high78.1Confident72 Ų7265.9 Ų65.944%0.44240%0.401SS..EExtended strand (participates in β ladder)trans-121128.6179.2-550000109.9C333 V334T293-C333 CarbonylContact O-C 3.44Å; T293-C333 VanDerWaalsContact O-CA 3.23Å; T293-C333 WeakPolarHBondContact O-CA 3.37Å; T293-V334 PolarHBondContact N-O 3.19Å; T293-V334 PolarHBondContact O-N 3.27Å
294L90.2Very high77.5Confident4 Ų464.3 Ų64.32%0.02139%0.393CS..EExtended strand (participates in β ladder)trans-86.6125.5166.5-71.6174.3000110.1F292 F304 L322 Y326 F331 C333F292-L294 HydrophobicContact CE1-CD1 4.41Å; F292-L294 HydrophobicContact CE1-CD2 3.75Å; F292-L294 HydrophobicContact CE1-CG 3.68Å; F292-L294 HydrophobicContact CZ-CD2 3.77Å; F292-L294 HydrophobicContact CZ-CG 4.24Å; L294-F304 HydrophobicContact CD1-CE2 3.76Å; L294-F304 HydrophobicContact CD1-CZ 3.54Å; L294-F304 HydrophobicContact CG-CE2 4.28Å; L294-F304 HydrophobicContact CG-CZ 4.28Å; L294-L322 HydrophobicContact CD1-CD2 3.65Å; L294-L322 HydrophobicContact CD2-CD2 4.45Å; L294-Y326 HydrophobicContact CD1-CD2 4.2Å; L294-Y326 HydrophobicContact CD1-CE2 3.9Å; L294-F331 HydrophobicContact CD2-CD2 4.34Å; L294-F331 HydrophobicContact CD2-CE2 4.11Å; L294-C333 HydrophobicContact CD2-CB 4.1Å
295Q82.9Confident77.2Confident82 Ų8272 Ų7238%0.38341%0.411SS..THydrogen-bonded Turntrans-73.4141.5176.6-62.6-62.8-33.900110.3H332 V334Q295-H332 HydrophobicContact CB-CB 4.07Å; Q295-H332 WeakPolarHBondContact CB-ND1 3.38Å; Q295-H332 PolarHBondContact N-O 3.05Å; Q295-V334 HydrophobicContact CG-CG2 4.23Å
296G70.6Confident77.2Confident82 Ų8273.8 Ų73.885%0.84542%0.418SS*.THydrogen-bonded Turntrans89.3-3.6-176.600000115.9
297R65.6Low77.1Confident70 Ų7074.6 Ų74.626%0.26442%0.422SS..  trans-102.9132.1164.7-73.5-166.6172.8-157.1-4.2109.9S299 C300 D325R297-S299 VanDerWaalsContact C-N 3.26Å; R297-S299 PolarHBondContact O-N 3.17Å; R297-C300 VanDerWaalsContact CD-SG 3.52Å; R297-D325 VanDerWaalsContact NH2-CG 3.34Å; R297-D325 IonicContact NH2-OD1 2.62Å; R297-D325 PolarHBondContact NH2-OD1 3.17Å; R297-D325 IonicContact NH2-OD2 3.13Å; R297-D325 PolarHBondContact NH2-OD2 2.71Å; R297-D325 VanDerWaalsContact NH2-OD2 3.09Å
298V48.1Very low77.1Confident153 Ų15372.8 Ų72.893%0.92741%0.406SS*.SBendtrans-75.4-11.1-175.6178.90000112.7
299S44.2Very low76.9Confident94 Ų9467.3 Ų67.366%0.65738%0.378SS*.  trans-165.6113.3-175.350.30000111.8R297R297-S299 VanDerWaalsContact C-N 3.26Å; R297-S299 PolarHBondContact O-N 3.17Å
300C47.4Very low76.4Confident25 Ų2570.1 Ų70.117%0.16939%0.394CS..  trans-155.139.8170.2-70.30000114.1R297 D302 D303R297-C300 VanDerWaalsContact CD-SG 3.52Å; C300-D302 PolarHBondContact O-N 2.71Å; C300-D303 HydrophobicContact CB-CB 4.13Å; C300-D303 PolarHBondContact SG-OD2 2.84Å
301S49.1Very low76.1Confident113 Ų11375.8 Ų75.879%0.7942%0.424SS*.SBendtrans-63.1-28.1162.8630000111.1
302D50.5Low76.1Confident144 Ų14473.7 Ų73.777%0.7742%0.418SS*.SBendtrans-99.6-6.9-168.6-67.1-1.4000114.7C300C300-D302 PolarHBondContact O-N 2.71Å
303D65.8Low76.1Confident98 Ų9879.1 Ų79.152%0.52445%0.452SS..SBendtrans-89.7-25.1-172.6-76.7-14.4000114.1C300 R305C300-D303 HydrophobicContact CB-CB 4.13Å; C300-D303 PolarHBondContact SG-OD2 2.84Å; D303-R305 PolarHBondContact O-N 3.15Å
304F77.5Confident76.3Confident24 Ų2478.5 Ų78.511%0.10545%0.451CS..  trans-97.299.8-176.5-76.4-85.6000111.5F292 L294 W306 L322F292-F304 HydrophobicContact CD1-CD2 4.3Å; F292-F304 HydrophobicContact CD1-CE2 4.37Å; F292-F304 HydrophobicContact CD1-CG 4.41Å; F292-F304 HydrophobicContact CE1-CE1 4.18Å; F292-F304 HydrophobicContact CE1-CE2 4.21Å; F292-F304 HydrophobicContact CE1-CZ 4.03Å; L294-F304 HydrophobicContact CD1-CE2 3.76Å; L294-F304 HydrophobicContact CD1-CZ 3.54Å; L294-F304 HydrophobicContact CG-CE2 4.28Å; L294-F304 HydrophobicContact CG-CZ 4.28Å; F304-W306 HydrophobicContact CB-CZ2 4.39Å; F304-W306 HydrophobicContact CD1-CZ2 4.24Å; F304-W306 HydrophobicContact CG-CZ2 4.46Å; F304-W306 PolarHBondContact O-N 2.66Å; F304-L322 HydrophobicContact CE1-CD2 3.97Å; F304-L322 HydrophobicContact CZ-CD2 3.71Å
305R88Confident76.5Confident213 Ų21379.2 Ų79.280%0.80446%0.456SS*.  trans-79.2101.6163.4-69.2-172.3-177.5-169.51.1109D303 S320D303-R305 PolarHBondContact O-N 3.15Å; R305-S320 PolarHBondContact O-OG 3.3Å
306W93.7Very high76.9Confident40 Ų4081.9 Ų81.915%0.15246%0.462CS..  trans-72.7127.7172.7-68.9107.8000110.5V277 L279 A287 F290 F292 F304 W318V277-W306 HydrophobicContact CG1-CH2 4.19Å; L279-W306 HydrophobicContact CB-CZ3 4.5Å; L279-W306 HydrophobicContact CD1-CE3 4.31Å; L279-W306 HydrophobicContact CD1-CH2 3.36Å; L279-W306 HydrophobicContact CD1-CZ2 3.65Å; L279-W306 HydrophobicContact CD1-CZ3 3.72Å; L279-W306 HydrophobicContact CD2-CH2 4.31Å; L279-W306 HydrophobicContact CG-CH2 3.56Å; L279-W306 HydrophobicContact CG-CZ2 4.35Å; L279-W306 HydrophobicContact CG-CZ3 3.67Å; A287-W306 HydrophobicContact CB-CB 4.44Å; F290-W306 AromaticContact CE2-CD1 3.86Å; F290-W306 AromaticContact CE2-CD2 3.88Å; F290-W306 HydrophobicContact CE2-CD2 3.88Å; F290-W306 AromaticContact CE2-CE2 3.74Å; F290-W306 HydrophobicContact CE2-CG 4Å; F290-W306 HydrophobicContact CE2-CZ2 4.35Å; F290-W306 AromaticContact CE2-NE1 3.69Å; F290-W306 HydrophobicContact CZ-CB 4.29Å; F290-W306 AromaticContact CZ-CD1 4Å; F290-W306 AromaticContact CZ-CD2 3.93Å; F290-W306 HydrophobicContact CZ-CD2 3.93Å; F290-W306 HydrophobicContact CZ-CE3 4.47Å; F290-W306 AromaticContact CZ-CG 3.8Å; F290-W306 HydrophobicContact CZ-CG 3.8Å; F292-W306 HydrophobicContact CB-CZ2 3.51Å; F292-W306 HydrophobicContact CD1-CH2 4.45Å; F292-W306 AromaticContact CD1-CZ2 3.79Å; F292-W306 HydrophobicContact CD1-CZ2 3.79Å; F292-W306 HydrophobicContact CD2-CH2 4.21Å; F292-W306 AromaticContact CD2-CZ2 3.98Å; F292-W306 HydrophobicContact CD2-CZ2 3.98Å; F292-W306 HydrophobicContact CE1-CZ2 4.46Å; F292-W306 HydrophobicContact CG-CH2 4.17Å; F292-W306 AromaticContact CG-CZ2 3.51Å; F292-W306 HydrophobicContact CG-CZ2 3.51Å; F304-W306 HydrophobicContact CB-CZ2 4.39Å; F304-W306 HydrophobicContact CD1-CZ2 4.24Å; F304-W306 HydrophobicContact CG-CZ2 4.46Å; F304-W306 PolarHBondContact O-N 2.66Å; W306-W318 HydrophobicContact CB-CD2 4.43Å; W306-W318 HydrophobicContact CB-CE3 3.71Å; W306-W318 HydrophobicContact CB-CZ3 4.29Å; W306-W318 HydrophobicContact CD2-CB 4.49Å; W306-W318 HydrophobicContact CE3-CB 3.84Å
307T94.1Very high78Confident45 Ų4578.2 Ų78.228%0.27642%0.423SS..BIsolated β-bridgetrans-122.3139.8178.5-53.50000109.3W318 Y319T307-W318 VanDerWaalsContact C-CE3 3.49Å; T307-W318 WeakPolarHBondContact O-CA 3.36Å; T307-Y319 HydrophobicContact CG2-CE1 3.91Å; T307-Y319 PolarHBondContact N-O 2.98Å; T307-Y319 WeakPolarHBondContact O-CD1 3.5Å; T307-Y319 WeakPolarHBondContact O-CE1 3.42Å; T307-Y319 PolarHBondContact O-N 3.45Å
308S93Very high79.4Confident3 Ų375.5 Ų75.52%0.02141%0.413CS..  trans-91.9147.1169.652.20000109.8D310 N311 A312S308-D310 PolarHBondContact O-N 2.82Å; S308-D310 VanDerWaalsContact O-N 3.11Å; S308-N311 PolarHBondContact O-N 3.37Å; S308-N311 VanDerWaalsContact O-N 3.11Å; S308-N311 VanDerWaalsContact OG-C 3.29Å; S308-N311 VanDerWaalsContact OG-CA 3.27Å; S308-N311 WeakPolarHBondContact OG-CA 3.28Å; S308-N311 PolarHBondContact OG-N 3.44Å; S308-A312 PolarHBondContact OG-N 3.34Å; S308-A312 PolarHBondContact OG-O 3.3Å
309P87.8Confident81.5Confident9 Ų970 Ų706%0.05838%0.376CS..THydrogen-bonded Turntrans-55.5-30.9-176.7-30.136.8000115.5L317 S501 N524P309-L317 WeakPolarHBondContact CD-O 3.39Å; P309-L317 HydrophobicContact CG-CD2 3.64Å; P309-S501 WeakPolarHBondContact CB-O 3.03Å; P309-N524 PolarHBondContact O-ND2 2.76Å; P309-N524 VanDerWaalsContact O-ND2 3.16Å
310D84Confident83.9Confident108 Ų10866 Ų6658%0.57835%0.348SS*.THydrogen-bonded Turntrans-107.15.9-177.664.8-12.4000113.6S308 A312S308-D310 PolarHBondContact O-N 2.82Å; S308-D310 VanDerWaalsContact O-N 3.11Å; D310-A312 PolarHBondContact O-N 3.01Å; D310-A312 WeakPolarHBondContact OD1-CB 3.44Å; D310-A312 PolarHBondContact OD1-N 3.32Å
311N88.9Confident86Confident124 Ų12468.6 Ų68.666%0.66336%0.358SS*.  trans58.224.5-171.2-58.3-55.9000114.3S308S308-N311 PolarHBondContact O-N 3.37Å; S308-N311 VanDerWaalsContact O-N 3.11Å; S308-N311 VanDerWaalsContact OG-C 3.29Å; S308-N311 VanDerWaalsContact OG-CA 3.27Å; S308-N311 WeakPolarHBondContact OG-CA 3.28Å; S308-N311 PolarHBondContact OG-N 3.44Å
312A91.9Very high88Confident31 Ų3163.6 Ų63.626%0.25632%0.322SS..  trans-66.8149171.800000111.9S308 D310 S314S308-A312 PolarHBondContact OG-N 3.34Å; S308-A312 PolarHBondContact OG-O 3.3Å; D310-A312 PolarHBondContact O-N 3.01Å; D310-A312 WeakPolarHBondContact OD1-CB 3.44Å; D310-A312 PolarHBondContact OD1-N 3.32Å; A312-S314 WeakPolarHBondContact CB-O 3.45Å; A312-S314 PolarHBondContact O-N 3.44Å
313T94.5Very high89.7Confident127 Ų12759.6 Ų59.678%0.77931%0.306SS*.SBendtrans-69.3-20.3175.553.10000113.2S286S286-T313 WeakPolarHBondContact CA-O 3.32Å; S286-T313 VanDerWaalsContact CB-O 3.28Å; S286-T313 WeakPolarHBondContact CB-O 3.29Å
314S95Very high90.6Very high60 Ų6061.2 Ų61.242%0.4232%0.324SS..SBendtrans-137.3131.9175.160.70000109.3V285 A312V285-S314 CarbonylContact O-C 3.14Å; V285-S314 WeakPolarHBondContact O-CA 3.49Å; A312-S314 WeakPolarHBondContact CB-O 3.45Å; A312-S314 PolarHBondContact O-N 3.44Å
315S93.7Very high90.9Very high18 Ų1865.4 Ų65.413%0.12635%0.348CS..EExtended strand (participates in β ladder)trans-146.1151.1-178.3179.30000110.8V285 L317 W318V285-S315 PolarHBondContact N-O 2.98Å; V285-S315 PolarHBondContact O-N 3.3Å; V285-S315 VanDerWaalsContact O-O 3.14Å; S315-L317 WeakPolarHBondContact CB-O 3.28Å; S315-L317 PolarHBondContact OG-N 3.32Å; S315-L317 PolarHBondContact OG-O 2.96Å; S315-W318 PolarHBondContact O-NE1 3.25Å
316R92.1Very high90.8Very high138 Ų13856.6 Ų56.652%0.52132%0.315SS..EExtended strand (participates in β ladder)trans-73.5-20.7166.9-65.3-165.6-178.8-171.2-1111.9C280 F281 A284C280-R316 CarbonylContact C-O 3.12Å; C280-R316 VanDerWaalsContact CA-O 3.3Å; C280-R316 WeakPolarHBondContact CA-O 3.07Å; F281-R316 PolarHBondContact N-O 2.89Å; A284-R316 HydrophobicContact CB-CG 4.33Å
317L93.1Very high90.5Very high5 Ų557.1 Ų57.13%0.02633%0.328CS..EExtended strand (participates in β ladder)trans-126.6126.7-173.3-169.9161.1000110.2V278 L279 P309 S315 C502 L504V278-L317 HydrophobicContact CG1-CD1 3.96Å; V278-L317 HydrophobicContact CG1-CD2 3.57Å; V278-L317 HydrophobicContact CG1-CG 3.64Å; L279-L317 VanDerWaalsContact O-CA 3.3Å; L279-L317 WeakPolarHBondContact O-CA 3.32Å; P309-L317 WeakPolarHBondContact CD-O 3.39Å; P309-L317 HydrophobicContact CG-CD2 3.64Å; S315-L317 WeakPolarHBondContact CB-O 3.28Å; S315-L317 PolarHBondContact OG-N 3.32Å; S315-L317 PolarHBondContact OG-O 2.96Å; L317-C502 HydrophobicContact CD1-CB 3.83Å; L317-C502 WeakPolarHBondContact CD1-O 3.45Å; L317-L504 HydrophobicContact CD2-CD1 3.73Å
318W94.6Very high90.2Very high13 Ų1356.6 Ų56.65%0.04932%0.323CS..EExtended strand (participates in β ladder)trans-126.9141.7176.1-70.291.4000109.2V278 L279 F281 V285 A287 F290 W306 T307 S315V278-W318 CarbonylContact C-O 3.21Å; V278-W318 WeakPolarHBondContact CA-O 3.05Å; L279-W318 PolarHBondContact N-O 3.42Å; L279-W318 PolarHBondContact O-N 3.15Å; F281-W318 AromaticContact CE2-CD1 3.86Å; V285-W318 WeakPolarHBondContact O-CZ2 3.37Å; V285-W318 PolarHBondContact O-NE1 3.06Å; A287-W318 HydrophobicContact CB-CE3 4.43Å; A287-W318 HydrophobicContact CB-CH2 3.84Å; A287-W318 HydrophobicContact CB-CZ2 4.23Å; A287-W318 HydrophobicContact CB-CZ3 3.95Å; F290-W318 HydrophobicContact CE1-CB 4.41Å; F290-W318 AromaticContact CE1-CD1 3.69Å; F290-W318 HydrophobicContact CE1-CD2 4.24Å; F290-W318 AromaticContact CE1-CG 3.86Å; F290-W318 HydrophobicContact CE1-CG 3.86Å; F290-W318 AromaticContact CE1-NE1 3.95Å; F290-W318 HydrophobicContact CZ-CB 3.93Å; F290-W318 HydrophobicContact CZ-CD2 4.32Å; F290-W318 AromaticContact CZ-CG 3.84Å; F290-W318 HydrophobicContact CZ-CG 3.84Å; W306-W318 HydrophobicContact CB-CD2 4.43Å; W306-W318 HydrophobicContact CB-CE3 3.71Å; W306-W318 HydrophobicContact CB-CZ3 4.29Å; W306-W318 HydrophobicContact CD2-CB 4.49Å; W306-W318 HydrophobicContact CE3-CB 3.84Å; T307-W318 VanDerWaalsContact C-CE3 3.49Å; T307-W318 WeakPolarHBondContact O-CA 3.36Å; S315-W318 PolarHBondContact O-NE1 3.25Å
319Y93.8Very high90Very high37 Ų3763 Ų6315%0.14536%0.357CS..EExtended strand (participates in β ladder)trans-135.9157.5176.473.2-81.3000112.2V277 T307 L504V277-Y319 CarbonylContact O-C 3.58Å; V277-Y319 WeakPolarHBondContact O-CA 3.48Å; V277-Y319 WeakPolarHBondContact O-CB 3.41Å; T307-Y319 HydrophobicContact CG2-CE1 3.91Å; T307-Y319 PolarHBondContact N-O 2.98Å; T307-Y319 WeakPolarHBondContact O-CD1 3.5Å; T307-Y319 WeakPolarHBondContact O-CE1 3.42Å; T307-Y319 PolarHBondContact O-N 3.45Å; Y319-L504 HydrophobicContact CD1-CD1 3.4Å; Y319-L504 HydrophobicContact CD1-CD2 4.09Å; Y319-L504 HydrophobicContact CD1-CG 4.4Å; Y319-L504 HydrophobicContact CD2-CD1 4.01Å; Y319-L504 HydrophobicContact CD2-CD2 4.34Å; Y319-L504 HydrophobicContact CE1-CD1 4.21Å; Y319-L504 HydrophobicContact CE1-CD2 4.07Å; Y319-L504 HydrophobicContact CE2-CD2 4.31Å; Y319-L504 HydrophobicContact CG-CD1 3.28Å; Y319-L504 HydrophobicContact CG-CD2 4.23Å; Y319-L504 HydrophobicContact CG-CG 4.38Å
320S94.3Very high90.1Very high12 Ų1268 Ų688%0.08438%0.383CS..EExtended strand (participates in β ladder)trans-154.4-178.7174.8-1580000109.4V276 V277 R305V276-S320 WeakPolarHBondContact CA-O 3.21Å; V277-S320 PolarHBondContact N-O 3.44Å; V277-S320 PolarHBondContact O-N 3.04Å; R305-S320 PolarHBondContact O-OG 3.3Å
321Q91.5Very high90.5Very high79 Ų7963 Ų6337%0.36936%0.356SS..EExtended strand (participates in β ladder)trans-124.7122.6-171-175.363.872.700109S274 G275 V276S274-Q321 VanDerWaalsContact C-NE2 3.27Å; S274-Q321 PolarHBondContact O-NE2 3.32Å; G275-Q321 PolarHBondContact O-NE2 2.87Å; V276-Q321 VanDerWaalsContact N-NE2 3.14Å
322L90.5Very high90.7Very high8 Ų859 Ų594%0.04233%0.333CS..  trans-61.4144.7169.2-63.2175.3000109.6V270 G275 V277 L294 F304 Y326 I328 F331V270-L322 HydrophobicContact CG2-CD1 3.77Å; G275-L322 WeakPolarHBondContact O-CB 3.45Å; G275-L322 WeakPolarHBondContact O-CG 3.23Å; G275-L322 PolarHBondContact O-N 2.75Å; V277-L322 HydrophobicContact CG2-CD1 3.95Å; V277-L322 HydrophobicContact CG2-CD2 3.8Å; V277-L322 HydrophobicContact CG2-CG 3.62Å; L294-L322 HydrophobicContact CD1-CD2 3.65Å; L294-L322 HydrophobicContact CD2-CD2 4.45Å; F304-L322 HydrophobicContact CE1-CD2 3.97Å; F304-L322 HydrophobicContact CZ-CD2 3.71Å; L322-Y326 HydrophobicContact CD1-CD1 3.81Å; L322-Y326 HydrophobicContact CD1-CE1 4.23Å; L322-Y326 HydrophobicContact CD2-CD1 4.48Å; L322-I328 HydrophobicContact CD1-CG1 4.48Å; L322-F331 HydrophobicContact CD1-CD2 4.16Å; L322-F331 HydrophobicContact CD1-CE2 4.31Å
323S86.9Confident90.7Very high60 Ų6057.5 Ų57.542%0.4232%0.321SS..  trans-62144.8170.7-1760000110.2D325 Y326S323-D325 WeakPolarHBondContact CB-OD1 3.41Å; S323-D325 PolarHBondContact O-N 3.23Å; S323-D325 VanDerWaalsContact O-N 3.09Å; S323-D325 PolarHBondContact OG-OD1 3.22Å; S323-Y326 WeakPolarHBondContact O-CB 3.47Å; S323-Y326 PolarHBondContact O-N 3.3Å
324S83.5Confident90.7Very high131 Ų13152.6 Ų52.692%0.91629%0.291SS*.THydrogen-bonded Turntrans-64.3-16.3-173.953.30000114.4
325D83.8Confident90.6Very high113 Ų11349.8 Ų49.860%0.60427%0.271SS*.THydrogen-bonded Turntrans-86.4-9.3175.570.4-48.9000113.3R297 S323 A327R297-D325 VanDerWaalsContact NH2-CG 3.34Å; R297-D325 IonicContact NH2-OD1 2.62Å; R297-D325 PolarHBondContact NH2-OD1 3.17Å; R297-D325 IonicContact NH2-OD2 3.13Å; R297-D325 PolarHBondContact NH2-OD2 2.71Å; R297-D325 VanDerWaalsContact NH2-OD2 3.09Å; S323-D325 WeakPolarHBondContact CB-OD1 3.41Å; S323-D325 PolarHBondContact O-N 3.23Å; S323-D325 VanDerWaalsContact O-N 3.09Å; S323-D325 PolarHBondContact OG-OD1 3.22Å; D325-A327 PolarHBondContact O-N 2.6Å
326Y86.1Confident90.6Very high28 Ų2853.3 Ų53.311%0.1129%0.286CS..  trans-74.3117.4-179.6-170.5-92.8000111.1L294 L322 S323 I328 N330 F331L294-Y326 HydrophobicContact CD1-CD2 4.2Å; L294-Y326 HydrophobicContact CD1-CE2 3.9Å; L322-Y326 HydrophobicContact CD1-CD1 3.81Å; L322-Y326 HydrophobicContact CD1-CE1 4.23Å; L322-Y326 HydrophobicContact CD2-CD1 4.48Å; S323-Y326 WeakPolarHBondContact O-CB 3.47Å; S323-Y326 PolarHBondContact O-N 3.3Å; Y326-I328 PolarHBondContact O-N 3.01Å; Y326-I328 VanDerWaalsContact O-N 3.14Å; Y326-N330 PolarHBondContact OH-O 2.74Å; Y326-F331 HydrophobicContact CE1-CB 4.36Å; Y326-F331 HydrophobicContact CE1-CD2 4.18Å; Y326-F331 VanDerWaalsContact OH-CA 3.32Å; Y326-F331 WeakPolarHBondContact OH-CA 3.4Å
327A87.7Confident90.7Very high51 Ų5147 Ų4742%0.42126%0.262SS..  trans-71.1106.9173.200000110D325 D329 N330D325-A327 PolarHBondContact O-N 2.6Å; A327-D329 PolarHBondContact O-N 3.45Å; A327-N330 WeakPolarHBondContact O-CB 3.45Å; A327-N330 PolarHBondContact O-N 3.46Å
328I88.4Confident90.6Very high34 Ų3450 Ų5017%0.17428%0.281CS..G310 helixtrans-60.3-29.1-176.4-61.9174.5000112S271 T272 L322 Y326 N330 F331S271-I328 WeakPolarHBondContact O-CD1 3.29Å; T272-I328 HydrophobicContact CG2-CG2 4.28Å; T272-I328 WeakPolarHBondContact O-CD1 3.26Å; L322-I328 HydrophobicContact CD1-CG1 4.48Å; Y326-I328 PolarHBondContact O-N 3.01Å; Y326-I328 VanDerWaalsContact O-N 3.14Å; I328-N330 PolarHBondContact O-N 3.48Å; I328-N330 VanDerWaalsContact O-N 3.07Å; I328-F331 WeakPolarHBondContact O-CB 3.4Å; I328-F331 PolarHBondContact O-N 2.88Å
329D88.9Confident90.1Very high136 Ų13656.5 Ų56.573%0.72732%0.316SS*.G310 helixtrans-59.5-19174.4-64.6-28.3000113.2A327 L348A327-D329 PolarHBondContact O-N 3.45Å; D329-L348 WeakPolarHBondContact O-CD2 3.3Å
330N88.8Confident89.2Confident115 Ų11557.3 Ų57.362%0.61534%0.336SS*.G310 helixtrans-98.714.2175.3-62.1-32.9000113Y326 A327 I328 H332Y326-N330 PolarHBondContact OH-O 2.74Å; A327-N330 WeakPolarHBondContact O-CB 3.45Å; A327-N330 PolarHBondContact O-N 3.46Å; I328-N330 PolarHBondContact O-N 3.48Å; I328-N330 VanDerWaalsContact O-N 3.07Å; N330-H332 PolarHBondContact O-N 3.08Å
331F92.1Very high88.5Confident2 Ų259.8 Ų59.81%0.00936%0.363CS..  trans-57.6113.9-176.6-171.9-92.5000111.3I268 V270 V277 F292 L294 L322 Y326 I328 C333 L348 M351I268-F331 HydrophobicContact CG2-CE1 4.47Å; I268-F331 HydrophobicContact CG2-CZ 4.29Å; V270-F331 HydrophobicContact CB-CD2 4.49Å; V270-F331 HydrophobicContact CB-CE2 4.2Å; V270-F331 HydrophobicContact CB-CZ 4.39Å; V270-F331 HydrophobicContact CG1-CD1 4.39Å; V270-F331 HydrophobicContact CG1-CD2 4.31Å; V270-F331 HydrophobicContact CG1-CE1 4.46Å; V270-F331 HydrophobicContact CG1-CE2 4.37Å; V270-F331 HydrophobicContact CG1-CG 4.32Å; V270-F331 HydrophobicContact CG1-CZ 4.44Å; V270-F331 HydrophobicContact CG2-CD2 4.27Å; V270-F331 HydrophobicContact CG2-CE2 4.18Å; V277-F331 HydrophobicContact CG2-CE2 3.94Å; V277-F331 HydrophobicContact CG2-CZ 4.49Å; F292-F331 HydrophobicContact CZ-CE2 4.46Å; F292-F331 HydrophobicContact CZ-CZ 4.33Å; L294-F331 HydrophobicContact CD2-CD2 4.34Å; L294-F331 HydrophobicContact CD2-CE2 4.11Å; L322-F331 HydrophobicContact CD1-CD2 4.16Å; L322-F331 HydrophobicContact CD1-CE2 4.31Å; Y326-F331 HydrophobicContact CE1-CB 4.36Å; Y326-F331 HydrophobicContact CE1-CD2 4.18Å; Y326-F331 VanDerWaalsContact OH-CA 3.32Å; Y326-F331 WeakPolarHBondContact OH-CA 3.4Å; I328-F331 WeakPolarHBondContact O-CB 3.4Å; I328-F331 PolarHBondContact O-N 2.88Å; F331-C333 HydrophobicContact CE1-CB 4.34Å; F331-C333 HydrophobicContact CZ-CB 4.22Å; F331-L348 HydrophobicContact CB-CB 4.23Å; F331-L348 HydrophobicContact CB-CD1 4.06Å; F331-L348 PolarHBondContact O-N 3.26Å; F331-M351 HydrophobicContact CD1-SD 3.71Å; F331-M351 HydrophobicContact CE1-CE 4.3Å; F331-M351 HydrophobicContact CE1-SD 3.82Å
332H93.3Very high88.2Confident41 Ų4157.5 Ų57.519%0.1936%0.356CS..EExtended strand (participates in β ladder)trans-148.1114.2178.6179.3-172.1000107.9Q295 N330 E345 I346Q295-H332 HydrophobicContact CB-CB 4.07Å; Q295-H332 WeakPolarHBondContact CB-ND1 3.38Å; Q295-H332 PolarHBondContact N-O 3.05Å; N330-H332 PolarHBondContact O-N 3.08Å; H332-E345 IonicContact CD2-OE1 3.76Å; H332-E345 IonicContact CE1-OE1 3.03Å; H332-E345 PolarHBondContact CE1-OE1 3.4Å; H332-E345 WeakPolarHBondContact NE2-CG 3.25Å; H332-E345 IonicContact NE2-OE1 3.56Å; H332-E345 PolarHBondContact NE2-OE1 3.06Å; H332-I346 WeakPolarHBondContact CA-O 3.31Å; H332-I346 PolarHBondContact CD2-O 2.96Å
333C93.2Very high88.2Confident0 Ų061.1 Ų61.10%038%0.381CS..EExtended strand (participates in β ladder)trans-126.1158.8-177.373.20000112.8F292 T293 L294 F331 E345 I346F292-C333 HydrophobicContact CD2-CB 4.32Å; F292-C333 HydrophobicContact CE1-CB 4.47Å; F292-C333 HydrophobicContact CE2-CB 3.52Å; F292-C333 HydrophobicContact CZ-CB 3.61Å; T293-C333 CarbonylContact O-C 3.44Å; T293-C333 VanDerWaalsContact O-CA 3.23Å; T293-C333 WeakPolarHBondContact O-CA 3.37Å; L294-C333 HydrophobicContact CD2-CB 4.1Å; F331-C333 HydrophobicContact CE1-CB 4.34Å; F331-C333 HydrophobicContact CZ-CB 4.22Å; C333-E345 WeakPolarHBondContact O-CA 3.25Å; C333-I346 PolarHBondContact N-O 3.06Å; C333-I346 PolarHBondContact O-N 3.28Å
334V93Very high88.4Confident24 Ų2459.8 Ų59.815%0.14537%0.371CS..EExtended strand (participates in β ladder)trans-126.2126.2169.7177.80000108.1F292 T293 Q295 C343 T344 E345F292-V334 WeakPolarHBondContact CA-O 3.28Å; T293-V334 PolarHBondContact N-O 3.19Å; T293-V334 PolarHBondContact O-N 3.27Å; Q295-V334 HydrophobicContact CG-CG2 4.23Å; V334-C343 WeakPolarHBondContact CG1-SG 3.44Å; V334-T344 CarbonylContact C-O 3.43Å; V334-T344 WeakPolarHBondContact CA-O 3.49Å; V334-E345 HydrophobicContact CG2-CB 4.19Å; V334-E345 HydrophobicContact CG2-CG 4.02Å
335V93.2Very high88.8Confident1 Ų158.2 Ų58.21%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-109.3118.2172.6-176.50000108.9I265 I268 L279 F281 N291 F292 C343 T344I265-V335 HydrophobicContact CB-CG1 4.27Å; I265-V335 HydrophobicContact CD1-CG1 4.44Å; I265-V335 HydrophobicContact CG1-CG1 4.5Å; I268-V335 HydrophobicContact CD1-CG2 3.67Å; L279-V335 HydrophobicContact CD2-CG2 4.3Å; F281-V335 HydrophobicContact CE1-CG1 4.35Å; N291-V335 WeakPolarHBondContact O-CA 3.49Å; F292-V335 HydrophobicContact CD2-CG2 3.92Å; V335-C343 CarbonylContact O-C 3.44Å; V335-C343 WeakPolarHBondContact O-CA 3.42Å; V335-T344 PolarHBondContact N-O 3.19Å; V335-T344 PolarHBondContact O-N 2.8Å
336E93.6Very high89.2Confident92 Ų9252.8 Ų52.843%0.4332%0.32SS..EExtended strand (participates in β ladder)trans-113.8134.1178.1179.3-174.3-154.400110F290 N291 S342F290-E336 CarbonylContact C-O 3.56Å; F290-E336 WeakPolarHBondContact CA-O 3.2Å; N291-E336 HydrophobicContact CB-CB 4.31Å; N291-E336 PolarHBondContact N-O 3.09Å; N291-E336 PolarHBondContact ND2-OE2 3.02Å; N291-E336 PolarHBondContact O-N 2.89Å; E336-S342 CarbonylContact C-O 3.6Å; E336-S342 WeakPolarHBondContact CA-O 3.35Å
337I94.2Very high89.5Confident4 Ų457.5 Ų57.52%0.02134%0.337CS..EExtended strand (participates in β ladder)trans-94.3118.1172.5-55.2-53.7000109I263 F281 F290 D339 G340 G341 S342I263-I337 HydrophobicContact CB-CG2 3.97Å; I263-I337 HydrophobicContact CG2-CD1 3.78Å; I263-I337 HydrophobicContact CG2-CG1 4.13Å; I263-I337 HydrophobicContact CG2-CG2 3.98Å; F281-I337 HydrophobicContact CD1-CD1 4.12Å; F281-I337 HydrophobicContact CE1-CD1 3.68Å; F290-I337 HydrophobicContact CB-CD1 4Å; I337-D339 PolarHBondContact O-N 3.29Å; I337-G340 PolarHBondContact O-N 2.82Å; I337-G341 PolarHBondContact O-N 3.11Å; I337-S342 WeakPolarHBondContact CB-OG 3.42Å; I337-S342 WeakPolarHBondContact CG1-OG 3.48Å; I337-S342 PolarHBondContact N-O 2.84Å
338V90.8Very high89.7Confident69 Ų6956.1 Ų56.142%0.41832%0.323SS..THydrogen-bonded Turntrans-59.1-49.9-167.3177.30000112.8M289M289-V338 PolarHBondContact O-N 3.44Å
339D85.4Confident89.8Confident149 Ų14962 Ų6280%0.79736%0.355SS*.THydrogen-bonded Turntrans-92.8-13.9-177.7-66.5-32.7000113.7I337I337-D339 PolarHBondContact O-N 3.29Å
340G74.8Confident89.8Confident55 Ų5559.3 Ų59.357%0.56734%0.34SS*.THydrogen-bonded Turntrans-96.5-16.9-175.100000114.2I337 S342I337-G340 PolarHBondContact O-N 2.82Å; G340-S342 PolarHBondContact O-N 3.31Å; G340-S342 VanDerWaalsContact O-N 3.07Å
341G78.6Confident90Very high63 Ų6354.6 Ų54.665%0.64932%0.315SS*.  trans64.45.7-175.800000114.5I337 C343I337-G341 PolarHBondContact O-N 3.11Å; G341-C343 PolarHBondContact O-N 2.99Å
342S85.4Confident89.8Confident31 Ų3157.2 Ų57.222%0.21733%0.331CS..  trans-76.5125176.663.20000109.3I263 E336 I337 G340I263-S342 PolarHBondContact O-OG 3.48Å; E336-S342 CarbonylContact C-O 3.6Å; E336-S342 WeakPolarHBondContact CA-O 3.35Å; I337-S342 WeakPolarHBondContact CB-OG 3.42Å; I337-S342 WeakPolarHBondContact CG1-OG 3.48Å; I337-S342 PolarHBondContact N-O 2.84Å; G340-S342 PolarHBondContact O-N 3.31Å; G340-S342 VanDerWaalsContact O-N 3.07Å
343C90.1Very high89.6Confident84 Ų8458.2 Ų58.257%0.56835%0.346SS*.EExtended strand (participates in β ladder)trans-123.4126179.8178.50000108.5V334 V335 G341V334-C343 WeakPolarHBondContact CG1-SG 3.44Å; V335-C343 CarbonylContact O-C 3.44Å; V335-C343 WeakPolarHBondContact O-CA 3.42Å; G341-C343 PolarHBondContact O-N 2.99Å
344T91.4Very high89.2Confident33 Ų3359 Ų5920%0.20235%0.35CS..EExtended strand (participates in β ladder)trans-122.8117.5-178.9-44.40000108.8I265 V334 V335 I346 W360I265-T344 HydrophobicContact CG2-CG2 3.93Å; I265-T344 VanDerWaalsContact CG2-OG1 3.24Å; I265-T344 WeakPolarHBondContact CG2-OG1 3.31Å; V334-T344 CarbonylContact C-O 3.43Å; V334-T344 WeakPolarHBondContact CA-O 3.49Å; V335-T344 PolarHBondContact N-O 3.19Å; V335-T344 PolarHBondContact O-N 2.8Å; T344-I346 HydrophobicContact CG2-CD1 3.49Å; T344-I346 VanDerWaalsContact CG2-CD1 3.49Å; T344-I346 HydrophobicContact CG2-CG1 4.24Å; T344-I346 WeakPolarHBondContact O-CD1 3.44Å; T344-W360 HydrophobicContact CG2-CH2 3.62Å; T344-W360 HydrophobicContact CG2-CZ2 3.67Å
345E92.7Very high89.1Confident97 Ų9760.4 Ų60.445%0.45336%0.356SS..EExtended strand (participates in β ladder)trans-98.6129.1173.7-176.1-175.4168.800108.8H332 C333 V334 R347H332-E345 IonicContact CD2-OE1 3.76Å; H332-E345 IonicContact CE1-OE1 3.03Å; H332-E345 PolarHBondContact CE1-OE1 3.4Å; H332-E345 WeakPolarHBondContact NE2-CG 3.25Å; H332-E345 IonicContact NE2-OE1 3.56Å; H332-E345 PolarHBondContact NE2-OE1 3.06Å; C333-E345 WeakPolarHBondContact O-CA 3.25Å; V334-E345 HydrophobicContact CG2-CB 4.19Å; V334-E345 HydrophobicContact CG2-CG 4.02Å; E345-R347 IonicContact OE1-CZ 3.76Å; E345-R347 IonicContact OE1-NE 3.44Å; E345-R347 PolarHBondContact OE1-NE 3.42Å; E345-R347 IonicContact OE1-NH2 3.44Å; E345-R347 PolarHBondContact OE1-NH2 3.1Å
346I92.1Very high89Confident0 Ų063.9 Ų63.90%037%0.373CS..EExtended strand (participates in β ladder)trans-129.2128.2-179.9-58.383.3000108.6I268 H332 C333 T344 D350 M351 W360I268-I346 HydrophobicContact CD1-CD1 3.41Å; I268-I346 VanDerWaalsContact CD1-CD1 3.41Å; I268-I346 HydrophobicContact CD1-CG1 3.97Å; H332-I346 WeakPolarHBondContact CA-O 3.31Å; H332-I346 PolarHBondContact CD2-O 2.96Å; C333-I346 PolarHBondContact N-O 3.06Å; C333-I346 PolarHBondContact O-N 3.28Å; T344-I346 HydrophobicContact CG2-CD1 3.49Å; T344-I346 VanDerWaalsContact CG2-CD1 3.49Å; T344-I346 HydrophobicContact CG2-CG1 4.24Å; T344-I346 WeakPolarHBondContact O-CD1 3.44Å; I346-D350 HydrophobicContact CG2-CB 4.5Å; I346-M351 HydrophobicContact CG2-CG 3.92Å; I346-M351 HydrophobicContact CG2-SD 4.37Å; I346-W360 HydrophobicContact CG1-CD2 3.75Å; I346-W360 HydrophobicContact CG1-CE3 4.16Å; I346-W360 HydrophobicContact CG1-CG 3.97Å; I346-W360 HydrophobicContact CG1-CZ2 4.24Å; I346-W360 HydrophobicContact CG2-CB 3.85Å; I346-W360 HydrophobicContact CG2-CD2 4.47Å; I346-W360 HydrophobicContact CG2-CG 3.81Å
347R92.6Very high89Confident126 Ų12659.5 Ų59.548%0.47535%0.352SS..EExtended strand (participates in β ladder)trans-104.8156.1169.4-60.3175.6-174.4148.38.9109.8E345 D349 D350 M351E345-R347 IonicContact OE1-CZ 3.76Å; E345-R347 IonicContact OE1-NE 3.44Å; E345-R347 PolarHBondContact OE1-NE 3.42Å; E345-R347 IonicContact OE1-NH2 3.44Å; E345-R347 PolarHBondContact OE1-NH2 3.1Å; R347-D349 PolarHBondContact O-N 3.27Å; R347-D350 WeakPolarHBondContact CB-OD2 3.33Å; R347-D350 PolarHBondContact N-OD2 3.18Å; R347-D350 WeakPolarHBondContact O-CA 3.31Å; R347-D350 WeakPolarHBondContact O-CB 3.17Å; R347-D350 PolarHBondContact O-N 3.45Å; R347-M351 WeakPolarHBondContact O-CG 3.31Å
348L91.3Very high88.9Confident23 Ų2362.7 Ų62.712%0.1236%0.364CS..G310 helixtrans-51.9-38.7176.4-170.668.5000112.6D329 F331 D350 M351 R358D329-L348 WeakPolarHBondContact O-CD2 3.3Å; F331-L348 HydrophobicContact CB-CB 4.23Å; F331-L348 HydrophobicContact CB-CD1 4.06Å; F331-L348 PolarHBondContact O-N 3.26Å; L348-D350 PolarHBondContact O-N 3.46Å; L348-M351 HydrophobicContact CD1-SD 4.22Å; L348-M351 VanDerWaalsContact O-CB 3.28Å; L348-M351 WeakPolarHBondContact O-CB 3.47Å; L348-M351 PolarHBondContact O-N 3.38Å; L348-R358 HydrophobicContact CD1-CB 4.01Å; L348-R358 HydrophobicContact CD1-CG 3.72Å
349D89.9Confident89Confident157 Ų15761.2 Ų61.284%0.8435%0.351SS*.G310 helixtrans-65.7-21.7178-67.4-23.9000113.5R347 M351R347-D349 PolarHBondContact O-N 3.27Å; D349-M351 VanDerWaalsContact C-N 3.27Å
350D89.6Confident89.3Confident80 Ų8054.6 Ų54.643%0.42832%0.315SS..G310 helixtrans-83.4-5.7173.6-54.6-54.3000111.9I346 R347 L348I346-D350 HydrophobicContact CG2-CB 4.5Å; R347-D350 WeakPolarHBondContact CB-OD2 3.33Å; R347-D350 PolarHBondContact N-OD2 3.18Å; R347-D350 WeakPolarHBondContact O-CA 3.31Å; R347-D350 WeakPolarHBondContact O-CB 3.17Å; R347-D350 PolarHBondContact O-N 3.45Å; L348-D350 PolarHBondContact O-N 3.46Å
351M91.8Very high89.8Confident16 Ų1653.4 Ų53.48%0.07930%0.295CS..SBendtrans-97.1143.9-177-47.3-171.379.800111.7I268 V270 F331 I346 R347 L348 D349 R358 Y359 W360I268-M351 HydrophobicContact CB-CE 4.48Å; I268-M351 HydrophobicContact CG2-CE 4.24Å; V270-M351 HydrophobicContact CG1-CE 4.19Å; V270-M351 HydrophobicContact CG1-SD 4.18Å; F331-M351 HydrophobicContact CD1-SD 3.71Å; F331-M351 HydrophobicContact CE1-CE 4.3Å; F331-M351 HydrophobicContact CE1-SD 3.82Å; I346-M351 HydrophobicContact CG2-CG 3.92Å; I346-M351 HydrophobicContact CG2-SD 4.37Å; R347-M351 WeakPolarHBondContact O-CG 3.31Å; L348-M351 HydrophobicContact CD1-SD 4.22Å; L348-M351 VanDerWaalsContact O-CB 3.28Å; L348-M351 WeakPolarHBondContact O-CB 3.47Å; L348-M351 PolarHBondContact O-N 3.38Å; D349-M351 VanDerWaalsContact C-N 3.27Å; M351-R358 HydrophobicContact CB-CB 4.08Å; M351-R358 HydrophobicContact CE-CB 4.33Å; M351-R358 WeakPolarHBondContact CE-O 3.47Å; M351-R358 HydrophobicContact SD-CB 4.04Å; M351-Y359 CarbonylContact C-O 3.59Å; M351-Y359 WeakPolarHBondContact CA-O 3.41Å; M351-W360 HydrophobicContact CE-CB 4.04Å; M351-W360 HydrophobicContact CG-CB 4.08Å
352V88.2Confident90.1Very high57 Ų5751.8 Ų51.835%0.34527%0.272SS..EExtended strand (participates in β ladder)trans-84.2134.9173.3-1790000109.6R358 Y359V352-R358 CarbonylContact O-C 3.58Å; V352-R358 WeakPolarHBondContact O-CA 3.36Å; V352-Y359 HydrophobicContact CB-CD1 4.16Å; V352-Y359 HydrophobicContact CB-CE1 3.65Å; V352-Y359 HydrophobicContact CB-CE2 4.35Å; V352-Y359 HydrophobicContact CG1-CE1 3.66Å; V352-Y359 PolarHBondContact N-O 3.36Å; V352-Y359 WeakPolarHBondContact O-CD1 3.48Å; V352-Y359 PolarHBondContact O-N 2.97Å
353A88.9Confident89.6Confident62 Ų6252 Ų5251%0.51228%0.275SS..EExtended strand (participates in β ladder)trans-81.7132.1172.600000111.1R358A353-R358 VanDerWaalsContact CB-NH1 3.3Å
354F86.3Confident88.4Confident16 Ų1651.9 Ų51.97%0.0727%0.269CS..EExtended strand (participates in β ladder)trans-144.6109.2174.2-173-93.9000109.1Q356 V357 Y359 P463 F483 L484F354-Q356 PolarHBondContact O-N 3.37Å; F354-V357 PolarHBondContact N-O 3.31Å; F354-V357 WeakPolarHBondContact O-CA 3.39Å; F354-V357 WeakPolarHBondContact O-CB 3.23Å; F354-V357 PolarHBondContact O-N 2.97Å; F354-Y359 HydrophobicContact CB-CD1 4.09Å; F354-Y359 HydrophobicContact CB-CE1 3.92Å; F354-P463 HydrophobicContact CE1-CB 4.4Å; F354-P463 VanDerWaalsContact CZ-CA 3.48Å; F354-P463 HydrophobicContact CZ-CB 4.47Å; F354-P463 WeakPolarHBondContact CZ-O 3.48Å; F354-F483 HydrophobicContact CB-CD2 4.2Å; F354-F483 AromaticContact CD1-CD2 3.83Å; F354-F483 HydrophobicContact CD1-CD2 3.83Å; F354-F483 HydrophobicContact CD1-CE2 4.1Å; F354-F483 HydrophobicContact CD2-CE2 4.18Å; F354-F483 HydrophobicContact CE1-CD2 4.33Å; F354-F483 HydrophobicContact CE1-CE2 4.31Å; F354-F483 HydrophobicContact CE2-CE2 4.39Å; F354-F483 AromaticContact CG-CD2 3.95Å; F354-F483 HydrophobicContact CG-CD2 3.95Å; F354-F483 HydrophobicContact CG-CE2 4.01Å; F354-F483 HydrophobicContact CZ-CE2 4.43Å; F354-L484 HydrophobicContact CE1-CD2 4.1Å; F354-L484 HydrophobicContact CZ-CD2 4.22Å
355D89.5Confident86.9Confident53 Ų5352.2 Ų52.228%0.28327%0.272SS..THydrogen-bonded Turntrans49.9-120.2-171.2-174.323.1000111.7V357 P463 T485 R507D355-V357 VanDerWaalsContact C-N 3.34Å; D355-P463 HydrophobicContact CB-CB 4.09Å; D355-P463 HydrophobicContact CB-CG 4.14Å; D355-T485 HydrophobicContact CB-CG2 4.07Å; D355-T485 WeakPolarHBondContact OD2-CB 3.39Å; D355-T485 PolarHBondContact OD2-OG1 3.29Å; D355-R507 IonicContact OD2-NH1 2.77Å; D355-R507 PolarHBondContact OD2-NH1 3.35Å
356Q91.4Very high85Confident75 Ų7557.7 Ų57.735%0.3529%0.294SS..THydrogen-bonded Turntrans-97.725.8177.7-60.8-55.5-51.900112.6T272 T273 F354T272-Q356 PolarHBondContact N-O 3.49Å; T272-Q356 VanDerWaalsContact OG1-C 3.29Å; T272-Q356 WeakPolarHBondContact OG1-CA 3.19Å; T272-Q356 PolarHBondContact OG1-O 2.74Å; T272-Q356 PolarHBondContact OG1-OE1 3.3Å; T273-Q356 HydrophobicContact CG2-CB 3.83Å; T273-Q356 HydrophobicContact CG2-CG 3.89Å; F354-Q356 PolarHBondContact O-N 3.37Å
357V93.4Very high83Confident0 Ų065.5 Ų65.50%033%0.331CS..EExtended strand (participates in β ladder)trans-126.1146.6-179.4-178.70000109.3V270 F354 D355 F483 T485 H505V270-V357 WeakPolarHBondContact O-CA 3.43Å; F354-V357 PolarHBondContact N-O 3.31Å; F354-V357 WeakPolarHBondContact O-CA 3.39Å; F354-V357 WeakPolarHBondContact O-CB 3.23Å; F354-V357 PolarHBondContact O-N 2.97Å; D355-V357 VanDerWaalsContact C-N 3.34Å; V357-F483 HydrophobicContact CG1-CB 4.04Å; V357-T485 HydrophobicContact CG2-CG2 3.59Å; V357-H505 HydrophobicContact CG2-CB 3.71Å
358R93.3Very high81Confident71 Ų7163 Ų6327%0.26833%0.331SS..EExtended strand (participates in β ladder)trans-113.4128.4164.4-67.2-80.3-172.3-72.3-2.6107.2S269 V270 T272 L348 M351 V352 A353S269-R358 CarbonylContact C-O 3.59Å; S269-R358 VanDerWaalsContact CA-O 3.26Å; S269-R358 WeakPolarHBondContact CA-O 3.4Å; V270-R358 HydrophobicContact CG1-CB 3.84Å; V270-R358 PolarHBondContact N-O 3.17Å; V270-R358 PolarHBondContact O-N 3.23Å; T272-R358 HydrophobicContact CG2-CG 3.94Å; L348-R358 HydrophobicContact CD1-CB 4.01Å; L348-R358 HydrophobicContact CD1-CG 3.72Å; M351-R358 HydrophobicContact CB-CB 4.08Å; M351-R358 HydrophobicContact CE-CB 4.33Å; M351-R358 WeakPolarHBondContact CE-O 3.47Å; M351-R358 HydrophobicContact SD-CB 4.04Å; V352-R358 CarbonylContact O-C 3.58Å; V352-R358 WeakPolarHBondContact O-CA 3.36Å; A353-R358 VanDerWaalsContact CB-NH1 3.3Å
359Y92.1Very high79.2Confident38 Ų3869.8 Ų69.815%0.14936%0.359CS..EExtended strand (participates in β ladder)trans-132.8143.1178.878.9-84.8000111.9I268 M351 V352 F354 F483I268-Y359 CarbonylContact O-C 3.57Å; I268-Y359 VanDerWaalsContact O-CA 3.27Å; I268-Y359 WeakPolarHBondContact O-CA 3.45Å; M351-Y359 CarbonylContact C-O 3.59Å; M351-Y359 WeakPolarHBondContact CA-O 3.41Å; V352-Y359 HydrophobicContact CB-CD1 4.16Å; V352-Y359 HydrophobicContact CB-CE1 3.65Å; V352-Y359 HydrophobicContact CB-CE2 4.35Å; V352-Y359 HydrophobicContact CG1-CE1 3.66Å; V352-Y359 PolarHBondContact N-O 3.36Å; V352-Y359 WeakPolarHBondContact O-CD1 3.48Å; V352-Y359 PolarHBondContact O-N 2.97Å; F354-Y359 HydrophobicContact CB-CD1 4.09Å; F354-Y359 HydrophobicContact CB-CE1 3.92Å; Y359-F483 HydrophobicContact CD1-CB 3.98Å; Y359-F483 HydrophobicContact CD1-CD1 4.33Å; Y359-F483 AromaticContact CD1-CD2 3.66Å; Y359-F483 HydrophobicContact CD1-CD2 3.66Å; Y359-F483 HydrophobicContact CD1-CE2 4.21Å; Y359-F483 AromaticContact CD1-CG 3.73Å; Y359-F483 HydrophobicContact CD1-CG 3.73Å; Y359-F483 AromaticContact CD2-CD1 3.91Å; Y359-F483 HydrophobicContact CD2-CD1 3.91Å; Y359-F483 HydrophobicContact CD2-CE1 4.25Å; Y359-F483 HydrophobicContact CD2-CG 4.12Å; Y359-F483 AromaticContact CE1-CD2 3.76Å; Y359-F483 HydrophobicContact CE1-CD2 3.76Å; Y359-F483 AromaticContact CE1-CE2 3.83Å; Y359-F483 HydrophobicContact CE1-CE2 3.83Å; Y359-F483 HydrophobicContact CE1-CG 4.17Å; Y359-F483 HydrophobicContact CE1-CZ 4.28Å; Y359-F483 HydrophobicContact CE2-CD1 4.21Å; Y359-F483 HydrophobicContact CE2-CE1 4.08Å; Y359-F483 HydrophobicContact CE2-CZ 4.3Å; Y359-F483 HydrophobicContact CG-CB 3.79Å; Y359-F483 AromaticContact CG-CD1 3.98Å; Y359-F483 HydrophobicContact CG-CD1 3.98Å; Y359-F483 HydrophobicContact CG-CD2 4.12Å; Y359-F483 AromaticContact CG-CG 3.7Å; Y359-F483 HydrophobicContact CG-CG 3.7Å
360W91Very high77.9Confident9 Ų969 Ų693%0.03435%0.351CS..EExtended strand (participates in β ladder)trans-117.9138.5173.616994000108.7I265 R267 I268 T344 I346 M351 V362 C365I265-W360 HydrophobicContact CG1-CZ3 4.25Å; I265-W360 HydrophobicContact CG2-CH2 4.06Å; I265-W360 HydrophobicContact CG2-CZ3 4.06Å; R267-W360 VanDerWaalsContact CA-O 3.26Å; R267-W360 WeakPolarHBondContact CA-O 3.18Å; R267-W360 WeakPolarHBondContact CG-O 3.25Å; I268-W360 HydrophobicContact CB-CE3 4.45Å; I268-W360 HydrophobicContact CG1-CE3 4.11Å; I268-W360 PolarHBondContact N-O 2.76Å; I268-W360 PolarHBondContact O-N 3.25Å; T344-W360 HydrophobicContact CG2-CH2 3.62Å; T344-W360 HydrophobicContact CG2-CZ2 3.67Å; I346-W360 HydrophobicContact CG1-CD2 3.75Å; I346-W360 HydrophobicContact CG1-CE3 4.16Å; I346-W360 HydrophobicContact CG1-CG 3.97Å; I346-W360 HydrophobicContact CG1-CZ2 4.24Å; I346-W360 HydrophobicContact CG2-CB 3.85Å; I346-W360 HydrophobicContact CG2-CD2 4.47Å; I346-W360 HydrophobicContact CG2-CG 3.81Å; M351-W360 HydrophobicContact CE-CB 4.04Å; M351-W360 HydrophobicContact CG-CB 4.08Å; W360-V362 HydrophobicContact CH2-CB 4.04Å; W360-V362 HydrophobicContact CH2-CG2 4.4Å; W360-C365 WeakPolarHBondContact CZ2-SG 3.23Å
361H87.2Confident76.8Confident31 Ų3168.7 Ų68.714%0.14435%0.351CS..EExtended strand (participates in β ladder)trans-122.8146.7175.1-175.5-110.6000109.9Q266 R267 A363 N364 D480Q266-H361 WeakPolarHBondContact O-CA 3.35Å; Q266-H361 PolarHBondContact O-CD2 3.24Å; R267-H361 VanDerWaalsContact CZ-CD2 3.45Å; R267-H361 PolarHBondContact NH2-CD2 3.08Å; R267-H361 PolarHBondContact NH2-NE2 3.32Å; H361-A363 WeakPolarHBondContact ND1-CB 3.37Å; H361-A363 PolarHBondContact ND1-N 3.14Å; H361-A363 VanDerWaalsContact ND1-N 3.13Å; H361-A363 PolarHBondContact O-N 2.74Å; H361-A363 VanDerWaalsContact O-N 3.13Å; H361-N364 VanDerWaalsContact O-CB 3.3Å; H361-N364 WeakPolarHBondContact O-CB 3.32Å; H361-N364 PolarHBondContact O-N 3.03Å; H361-D480 IonicContact NE2-OD1 3.91Å
362V83.5Confident76.2Confident29 Ų2974.9 Ų74.918%0.17638%0.38CS..G310 helixtrans-58.1-28.3179.868.10000113.2Q266 W360 N364 C365Q266-V362 PolarHBondContact O-N 3.21Å; W360-V362 HydrophobicContact CH2-CB 4.04Å; W360-V362 HydrophobicContact CH2-CG2 4.4Å; V362-N364 PolarHBondContact O-N 2.72Å; V362-C365 WeakPolarHBondContact O-CB 3.34Å; V362-C365 PolarHBondContact O-N 2.88Å; V362-C365 VanDerWaalsContact O-N 3.16Å; V362-C365 PolarHBondContact O-SG 3.37Å
363A74.9Confident76.3Confident34 Ų3472.9 Ų72.928%0.28137%0.367SS..G310 helixtrans-70.1-16174.400000113.9H361 C365 P368H361-A363 WeakPolarHBondContact ND1-CB 3.37Å; H361-A363 PolarHBondContact ND1-N 3.14Å; H361-A363 VanDerWaalsContact ND1-N 3.13Å; H361-A363 PolarHBondContact O-N 2.74Å; H361-A363 VanDerWaalsContact O-N 3.13Å; A363-C365 VanDerWaalsContact C-N 3.27Å; A363-P368 WeakPolarHBondContact O-CG 3.43Å
364N66.4Low76.4Confident83 Ų8371 Ų7144%0.44435%0.35SS..G310 helixtrans-83.5-4.3173.6-60.5-9.5000112.3H361 V362H361-N364 VanDerWaalsContact O-CB 3.3Å; H361-N364 WeakPolarHBondContact O-CB 3.32Å; H361-N364 PolarHBondContact O-N 3.03Å; V362-N364 PolarHBondContact O-N 2.72Å
365C58.5Low76.8Confident39 Ų3976.2 Ų76.226%0.26438%0.375SS..SBendtrans-60.3149.5173.4-740000111.2W360 V362 A363 Q367 P368W360-C365 WeakPolarHBondContact CZ2-SG 3.23Å; V362-C365 WeakPolarHBondContact O-CB 3.34Å; V362-C365 PolarHBondContact O-N 2.88Å; V362-C365 VanDerWaalsContact O-N 3.16Å; V362-C365 PolarHBondContact O-SG 3.37Å; A363-C365 VanDerWaalsContact C-N 3.27Å; C365-Q367 PolarHBondContact O-N 3.4Å; C365-P368 VanDerWaalsContact O-CD 3.31Å; C365-P368 WeakPolarHBondContact O-CD 3.49Å
366K52.4Low77.1Confident212 Ų21277.7 Ų77.792%0.92239%0.386SS*.SBendtrans-55.1-22.1169.9-66.1-178.8-180175.10113.3
367Q50.9Low77.3Confident165 Ų16574.1 Ų74.177%0.77137%0.369SS*.SBendtrans-133.889.8171.5-66.4-178.3-6.500108.7C365 K369C365-Q367 PolarHBondContact O-N 3.4Å; Q367-K369 PolarHBondContact O-N 2.97Å
368P51.2Low77.4Confident72 Ų7276.3 Ų76.347%0.46838%0.379SS..  trans-59.5123.8172.1-19.632.5000108.7A363 C365 E370A363-P368 WeakPolarHBondContact O-CG 3.43Å; C365-P368 VanDerWaalsContact O-CD 3.31Å; C365-P368 WeakPolarHBondContact O-CD 3.49Å; P368-E370 PolarHBondContact O-N 3.38Å
369K53.1Low77.6Confident166 Ų16676 Ų7672%0.72239%0.385SS*.  trans-86.839.4168.5-67.2-174.2178.5-178.90110.7Q367 V371Q367-K369 PolarHBondContact O-N 2.97Å; K369-V371 PolarHBondContact O-N 3.21Å
370E61.6Low77.9Confident142 Ų14275 Ų7566%0.66438%0.384SS*.  trans-67.4125.8163.6-81.9-171.9-175.800106.7P368 E372P368-E370 PolarHBondContact O-N 3.38Å; E370-E372 VanDerWaalsContact C-N 3.33Å; E370-E372 PolarHBondContact O-N 3.13Å
371V68.3Low78.2Confident72 Ų7274.6 Ų74.644%0.43638%0.383SS..  trans-74.693.2-175.2174.10000107.1A219 G220 K369A219-V371 VanDerWaalsContact C-CG1 3.48Å; A219-V371 HydrophobicContact CB-CG1 4.25Å; G220-V371 VanDerWaalsContact N-CG1 3.26Å; K369-V371 PolarHBondContact O-N 3.21Å
372E79.3Confident78.7Confident147 Ų14776 Ų7669%0.68739%0.393SS*.PPolyproline II helixtrans-79.8124.4174.5-174.4166.2-161.700109.6E370 K378E370-E372 VanDerWaalsContact C-N 3.33Å; E370-E372 PolarHBondContact O-N 3.13Å; E372-K378 IonicContact OE1-NZ 3.76Å; E372-K378 PolarHBondContact OE1-NZ 2.94Å
373L88.6Confident79.4Confident14 Ų1480.3 Ų80.37%0.07341%0.412CS..PPolyproline II helixtrans-66.7143.3176.1-72.8177.7000111.1M221 P258 E375 V377 K378 L381 V411M221-L373 HydrophobicContact SD-CD2 3.71Å; P258-L373 HydrophobicContact CG-CD2 4.3Å; L373-E375 PolarHBondContact O-N 2.93Å; L373-V377 HydrophobicContact CD1-CG1 4.44Å; L373-V377 HydrophobicContact CD2-CG1 4.43Å; L373-K378 HydrophobicContact CB-CG 3.84Å; L373-K378 VanDerWaalsContact O-CE 3.23Å; L373-K378 WeakPolarHBondContact O-CE 3.05Å; L373-L381 HydrophobicContact CD1-CD1 3.97Å; L373-V411 HydrophobicContact CD1-CG1 3.29Å
374P92.5Very high80.5Confident23 Ų2379 Ų7915%0.14940%0.4CS..PPolyproline II helixtrans-53.6140.8170.3-26.635.4000111.8E218 M221 L225 T376 V377 K378E218-P374 HydrophobicContact CB-CG 4.27Å; E218-P374 HydrophobicContact CG-CG 4.28Å; M221-P374 HydrophobicContact CG-CG 4.37Å; L225-P374 HydrophobicContact CD2-CG 4.23Å; P374-T376 PolarHBondContact O-N 3.42Å; P374-V377 HydrophobicContact CB-CB 4.37Å; P374-V377 HydrophobicContact CB-CG2 4.03Å; P374-V377 HydrophobicContact CG-CG2 4.25Å; P374-V377 WeakPolarHBondContact O-CA 3.03Å; P374-V377 WeakPolarHBondContact O-CB 3.3Å; P374-V377 PolarHBondContact O-N 3.27Å; P374-K378 PolarHBondContact O-N 2.93Å
375E93.1Very high82Confident126 Ų12675.2 Ų75.259%0.58938%0.38SS*.Hα-helixtrans-61.1-33.6-174.5-168.558.3-15100112.9L373 V377 K378 T379L373-E375 PolarHBondContact O-N 2.93Å; E375-V377 VanDerWaalsContact C-N 3.31Å; E375-V377 PolarHBondContact O-N 3.23Å; E375-K378 PolarHBondContact O-N 3.44Å; E375-K378 IonicContact OE2-NZ 2.82Å; E375-T379 PolarHBondContact O-N 3.3Å; E375-T379 PolarHBondContact O-OG1 2.88Å
376T96.1Very high83.9Confident83 Ų8375.5 Ų75.551%0.50938%0.382SS..Hα-helixtrans-63.4-37.7173.850.20000111.9P374 A380P374-T376 PolarHBondContact O-N 3.42Å; T376-A380 PolarHBondContact O-N 3.16Å
377V96.1Very high86.1Confident1 Ų167.2 Ų67.21%0.00635%0.348CS..Hα-helixtrans-69.8-46.7175.5175.40000110.2M221 L225 F228 F229 L373 P374 E375 T379 A380 L381M221-V377 HydrophobicContact CE-CB 4.44Å; M221-V377 HydrophobicContact CE-CG1 3.94Å; M221-V377 HydrophobicContact CE-CG2 3.66Å; M221-V377 HydrophobicContact SD-CB 4.38Å; M221-V377 HydrophobicContact SD-CG1 3.94Å; M221-V377 HydrophobicContact SD-CG2 3.92Å; L225-V377 HydrophobicContact CD2-CG2 3.74Å; F228-V377 HydrophobicContact CD1-CG2 4.25Å; F228-V377 HydrophobicContact CE1-CB 4.42Å; F228-V377 HydrophobicContact CE1-CG1 3.87Å; F228-V377 HydrophobicContact CE1-CG2 4.12Å; F228-V377 HydrophobicContact CE2-CG1 4.47Å; F228-V377 HydrophobicContact CZ-CG1 3.76Å; F229-V377 HydrophobicContact CZ-CG2 4.16Å; L373-V377 HydrophobicContact CD1-CG1 4.44Å; L373-V377 HydrophobicContact CD2-CG1 4.43Å; P374-V377 HydrophobicContact CB-CB 4.37Å; P374-V377 HydrophobicContact CB-CG2 4.03Å; P374-V377 HydrophobicContact CG-CG2 4.25Å; P374-V377 WeakPolarHBondContact O-CA 3.03Å; P374-V377 WeakPolarHBondContact O-CB 3.3Å; P374-V377 PolarHBondContact O-N 3.27Å; E375-V377 VanDerWaalsContact C-N 3.31Å; E375-V377 PolarHBondContact O-N 3.23Å; V377-T379 VanDerWaalsContact C-N 3.26Å; V377-T379 PolarHBondContact O-N 2.95Å; V377-A380 PolarHBondContact O-N 3.44Å; V377-L381 HydrophobicContact CG1-CD1 4Å; V377-L381 HydrophobicContact CG1-CG 4.16Å; V377-L381 WeakPolarHBondContact O-CB 3.28Å; V377-L381 VanDerWaalsContact O-CG 3.3Å; V377-L381 WeakPolarHBondContact O-CG 3.26Å; V377-L381 PolarHBondContact O-N 3.3Å
378K95Very high88.4Confident46 Ų4659.4 Ų59.420%0.231%0.312CS..Hα-helixtrans-55.9-42175.7-68.1-177.6-172.2162.40111.9E372 L373 P374 E375 L381 T382E372-K378 IonicContact OE1-NZ 3.76Å; E372-K378 PolarHBondContact OE1-NZ 2.94Å; L373-K378 HydrophobicContact CB-CG 3.84Å; L373-K378 VanDerWaalsContact O-CE 3.23Å; L373-K378 WeakPolarHBondContact O-CE 3.05Å; P374-K378 PolarHBondContact O-N 2.93Å; E375-K378 PolarHBondContact O-N 3.44Å; E375-K378 IonicContact OE2-NZ 2.82Å; K378-L381 PolarHBondContact O-N 3.28Å; K378-T382 WeakPolarHBondContact O-CB 3.48Å; K378-T382 PolarHBondContact O-N 2.62Å; K378-T382 PolarHBondContact O-OG1 2.82Å
379T97.5Very high90.6Very high65 Ų6558.2 Ų58.240%0.39930%0.3SS..Hα-helixtrans-61.2-53175.1-58.20000111.3E375 V377 L381 T382 E383E375-T379 PolarHBondContact O-N 3.3Å; E375-T379 PolarHBondContact O-OG1 2.88Å; V377-T379 VanDerWaalsContact C-N 3.26Å; V377-T379 PolarHBondContact O-N 2.95Å; T379-L381 VanDerWaalsContact C-N 3.3Å; T379-L381 PolarHBondContact O-N 3Å; T379-T382 WeakPolarHBondContact O-CB 3.45Å; T379-T382 PolarHBondContact O-N 2.83Å; T379-E383 PolarHBondContact O-N 3.06Å
380A98Very high92.8Very high16 Ų1655.4 Ų55.413%0.13229%0.287CS..Hα-helixtrans-61.6-35.6179.600000113.2F229 L232 T376 V377 E383 N384F229-A380 HydrophobicContact CD1-CB 4.22Å; F229-A380 HydrophobicContact CE1-CB 3.71Å; L232-A380 HydrophobicContact CD2-CB 4.16Å; T376-A380 PolarHBondContact O-N 3.16Å; V377-A380 PolarHBondContact O-N 3.44Å; A380-E383 PolarHBondContact O-N 2.95Å; A380-N384 VanDerWaalsContact O-CB 3.25Å; A380-N384 WeakPolarHBondContact O-CB 3.48Å; A380-N384 PolarHBondContact O-N 3.47Å
381L97.4Very high94.5Very high1 Ų148.9 Ų48.91%0.00526%0.257CS..Hα-helixtrans-69.6-33.6175-68-176.4000112.3F228 T256 L373 V377 K378 T379 N384 L385 V411 I412F228-L381 HydrophobicContact CZ-CD2 4.07Å; T256-L381 HydrophobicContact CG2-CD2 3.39Å; L373-L381 HydrophobicContact CD1-CD1 3.97Å; V377-L381 HydrophobicContact CG1-CD1 4Å; V377-L381 HydrophobicContact CG1-CG 4.16Å; V377-L381 WeakPolarHBondContact O-CB 3.28Å; V377-L381 VanDerWaalsContact O-CG 3.3Å; V377-L381 WeakPolarHBondContact O-CG 3.26Å; V377-L381 PolarHBondContact O-N 3.3Å; K378-L381 PolarHBondContact O-N 3.28Å; T379-L381 VanDerWaalsContact C-N 3.3Å; T379-L381 PolarHBondContact O-N 3Å; L381-N384 PolarHBondContact O-N 3.38Å; L381-L385 WeakPolarHBondContact O-CB 3.23Å; L381-L385 PolarHBondContact O-N 2.77Å; L381-V411 HydrophobicContact CD1-CG1 4.07Å; L381-I412 VanDerWaalsContact C-CD1 3.5Å; L381-I412 HydrophobicContact CB-CD1 3.72Å; L381-I412 HydrophobicContact CB-CG1 3.84Å; L381-I412 WeakPolarHBondContact O-CD1 3.23Å
382T97.9Very high95.9Very high59 Ų5946 Ų4636%0.36224%0.239SC..Hα-helixtrans-66.8-43.2174.5-58.10000111.1K378 T379 L385 S386K378-T382 WeakPolarHBondContact O-CB 3.48Å; K378-T382 PolarHBondContact O-N 2.62Å; K378-T382 PolarHBondContact O-OG1 2.82Å; T379-T382 WeakPolarHBondContact O-CB 3.45Å; T379-T382 PolarHBondContact O-N 2.83Å; T382-L385 PolarHBondContact O-N 2.72Å; T382-S386 PolarHBondContact O-N 3.36Å
383E98.3Very high96.8Very high121 Ų12146 Ų4657%0.56524%0.243SC*.Hα-helixtrans-62.6-46.8173.2-68.117717500111.3T379 A380 L385 S386 D387T379-E383 PolarHBondContact O-N 3.06Å; A380-E383 PolarHBondContact O-N 2.95Å; E383-L385 VanDerWaalsContact C-N 3.32Å; E383-L385 PolarHBondContact O-N 3.49Å; E383-S386 WeakPolarHBondContact O-CB 2.96Å; E383-S386 PolarHBondContact O-N 3.37Å; E383-S386 VanDerWaalsContact O-N 3.1Å; E383-D387 PolarHBondContact O-N 3.19Å
384N98.1Very high97.2Very high6 Ų651.5 Ų51.53%0.03227%0.27CS..Hα-helixtrans-59.1-41.1176.2177.4-117.1000112.3A380 L381 D387 I388 R408A380-N384 VanDerWaalsContact O-CB 3.25Å; A380-N384 WeakPolarHBondContact O-CB 3.48Å; A380-N384 PolarHBondContact O-N 3.47Å; L381-N384 PolarHBondContact O-N 3.38Å; N384-D387 PolarHBondContact O-N 2.83Å; N384-I388 VanDerWaalsContact O-CG1 3.31Å; N384-I388 WeakPolarHBondContact O-CG1 3.29Å; N384-I388 PolarHBondContact O-N 2.99Å; N384-R408 PolarHBondContact OD1-NE 3.09Å; N384-R408 PolarHBondContact OD1-NH2 3.07Å
385L98.3Very high97.4Very high3 Ų353.8 Ų53.82%0.01628%0.279CS..Hα-helixtrans-60.1-47.3173.5174.558.8000111L381 T382 E383 D387 I388 E389 A405 R408 M409 I412 Y417L381-L385 WeakPolarHBondContact O-CB 3.23Å; L381-L385 PolarHBondContact O-N 2.77Å; T382-L385 PolarHBondContact O-N 2.72Å; E383-L385 VanDerWaalsContact C-N 3.32Å; E383-L385 PolarHBondContact O-N 3.49Å; L385-D387 VanDerWaalsContact C-N 3.26Å; L385-D387 PolarHBondContact O-N 3.15Å; L385-I388 PolarHBondContact O-N 3.42Å; L385-I388 VanDerWaalsContact O-N 3.17Å; L385-E389 HydrophobicContact CD1-CG 4.19Å; L385-E389 WeakPolarHBondContact O-CG 3.44Å; L385-E389 PolarHBondContact O-N 2.97Å; L385-A405 HydrophobicContact CD1-CB 3.72Å; L385-R408 HydrophobicContact CB-CB 4.03Å; L385-R408 HydrophobicContact CB-CG 4.28Å; L385-R408 HydrophobicContact CD1-CB 4.02Å; L385-R408 HydrophobicContact CD2-CB 4.44Å; L385-R408 HydrophobicContact CG-CB 4.39Å; L385-M409 HydrophobicContact CD1-CE 3.82Å; L385-M409 HydrophobicContact CD1-CG 4.26Å; L385-M409 HydrophobicContact CD2-CG 3.81Å; L385-I412 HydrophobicContact CB-CD1 4.46Å; L385-I412 HydrophobicContact CD2-CD1 4.38Å; L385-Y417 HydrophobicContact CD2-CE1 4.32Å
386S98.4Very high97.5Very high45 Ų4550.5 Ų50.532%0.31527%0.268SS..Hα-helixtrans-57.2-39.6177.2138.20000112T382 E383 E389 K390T382-S386 PolarHBondContact O-N 3.36Å; E383-S386 WeakPolarHBondContact O-CB 2.96Å; E383-S386 PolarHBondContact O-N 3.37Å; E383-S386 VanDerWaalsContact O-N 3.1Å; S386-E389 PolarHBondContact O-N 3.3Å; S386-K390 WeakPolarHBondContact O-CG 3.18Å; S386-K390 PolarHBondContact O-N 2.92Å
387D98.4Very high97.5Very high39 Ų3953 Ų5321%0.20927%0.274CS..Hα-helixtrans-69.7-41.1177.3-66.7-27.7000112.3H236 F240 E383 N384 L385 E389 K390 L391H236-D387 IonicContact CE1-OD2 3.15Å; H236-D387 PolarHBondContact CE1-OD2 2.85Å; H236-D387 VanDerWaalsContact CE1-OD2 3.31Å; F240-D387 HydrophobicContact CE2-CB 4.45Å; F240-D387 HydrophobicContact CZ-CB 3.99Å; F240-D387 WeakPolarHBondContact CZ-O 3.31Å; E383-D387 PolarHBondContact O-N 3.19Å; N384-D387 PolarHBondContact O-N 2.83Å; L385-D387 VanDerWaalsContact C-N 3.26Å; L385-D387 PolarHBondContact O-N 3.15Å; D387-E389 VanDerWaalsContact C-N 3.26Å; D387-E389 PolarHBondContact O-N 3.2Å; D387-K390 WeakPolarHBondContact O-CB 3.3Å; D387-K390 PolarHBondContact O-N 3.05Å; D387-K390 IonicContact OD1-NZ 3.74Å; D387-K390 PolarHBondContact OD1-NZ 3.2Å; D387-L391 PolarHBondContact O-N 2.68Å
388I98.3Very high97.5Very high1 Ų153.1 Ų53.11%0.00528%0.275CS..Hα-helixtrans-60.6-38.2172.8-65166000110.7W249 N384 L385 L391 I392 A401 A405W249-I388 HydrophobicContact CH2-CG1 4.22Å; W249-I388 HydrophobicContact CH2-CG2 4.21Å; W249-I388 HydrophobicContact CZ3-CD1 4.08Å; W249-I388 HydrophobicContact CZ3-CG1 4.07Å; W249-I388 HydrophobicContact CZ3-CG2 4.4Å; N384-I388 VanDerWaalsContact O-CG1 3.31Å; N384-I388 WeakPolarHBondContact O-CG1 3.29Å; N384-I388 PolarHBondContact O-N 2.99Å; L385-I388 PolarHBondContact O-N 3.42Å; L385-I388 VanDerWaalsContact O-N 3.17Å; I388-L391 CarbonylContact O-C 3.58Å; I388-L391 WeakPolarHBondContact O-CA 3.49Å; I388-L391 WeakPolarHBondContact O-CB 3.43Å; I388-L391 PolarHBondContact O-N 3.31Å; I388-L391 VanDerWaalsContact O-N 3.13Å; I388-I392 HydrophobicContact CG2-CD1 4.11Å; I388-I392 HydrophobicContact CG2-CG1 4.48Å; I388-I392 WeakPolarHBondContact O-CG1 3.43Å; I388-I392 PolarHBondContact O-N 2.92Å; I388-A401 HydrophobicContact CG2-CB 4.15Å; I388-A401 VanDerWaalsContact CG2-O 3.23Å; I388-A401 WeakPolarHBondContact CG2-O 3.49Å; I388-A405 HydrophobicContact CG2-CB 3.84Å
389E98.3Very high97.6Very high47 Ų4752.5 Ų52.522%0.2227%0.272CS..Hα-helixtrans-65.3-39.1176-71-176.3135.700112.6L385 S386 D387 L391 I392 L393 K420 Y424L385-E389 HydrophobicContact CD1-CG 4.19Å; L385-E389 WeakPolarHBondContact O-CG 3.44Å; L385-E389 PolarHBondContact O-N 2.97Å; S386-E389 PolarHBondContact O-N 3.3Å; D387-E389 VanDerWaalsContact C-N 3.26Å; D387-E389 PolarHBondContact O-N 3.2Å; E389-L391 VanDerWaalsContact C-N 3.27Å; E389-L391 PolarHBondContact O-N 3.48Å; E389-I392 PolarHBondContact O-N 3.45Å; E389-L393 WeakPolarHBondContact O-CG 3.31Å; E389-L393 PolarHBondContact O-N 3.23Å; E389-K420 WeakPolarHBondContact OE1-CE 3.49Å; E389-K420 IonicContact OE1-NZ 2.71Å; E389-K420 PolarHBondContact OE1-NZ 3.31Å; E389-K420 IonicContact OE2-NZ 3.56Å; E389-Y424 PolarHBondContact OE1-OH 2.87Å
390K98.5Very high97.6Very high106 Ų10650.8 Ų50.846%0.46126%0.259SS..Hα-helixtrans-60.4-40.7170.2-65.1166.4-160.8159.20110.9S386 D387 L393 M394S386-K390 WeakPolarHBondContact O-CG 3.18Å; S386-K390 PolarHBondContact O-N 2.92Å; D387-K390 WeakPolarHBondContact O-CB 3.3Å; D387-K390 PolarHBondContact O-N 3.05Å; D387-K390 IonicContact OD1-NZ 3.74Å; D387-K390 PolarHBondContact OD1-NZ 3.2Å; K390-L393 WeakPolarHBondContact O-CB 3.5Å; K390-L393 PolarHBondContact O-N 3.42Å; K390-M394 WeakPolarHBondContact O-CG 3.23Å; K390-M394 PolarHBondContact O-N 3.12Å; K390-M394 VanDerWaalsContact O-N 3.11Å
391L98Very high97.6Very high6 Ų650 Ų503%0.03125%0.252CS..Hα-helixtrans-64-41.7175.4-178.763.2000112I239 F240 P243 W249 D387 I388 E389 L393 M394 E395 A401I239-L391 HydrophobicContact CG2-CD2 4.02Å; F240-L391 HydrophobicContact CE1-CB 4.13Å; F240-L391 HydrophobicContact CZ-CB 4.11Å; P243-L391 HydrophobicContact CB-CD1 4.15Å; P243-L391 HydrophobicContact CB-CD2 3.88Å; P243-L391 HydrophobicContact CG-CD1 4.38Å; W249-L391 HydrophobicContact CH2-CD2 3.84Å; W249-L391 HydrophobicContact CZ2-CD2 3.66Å; D387-L391 PolarHBondContact O-N 2.68Å; I388-L391 CarbonylContact O-C 3.58Å; I388-L391 WeakPolarHBondContact O-CA 3.49Å; I388-L391 WeakPolarHBondContact O-CB 3.43Å; I388-L391 PolarHBondContact O-N 3.31Å; I388-L391 VanDerWaalsContact O-N 3.13Å; E389-L391 VanDerWaalsContact C-N 3.27Å; E389-L391 PolarHBondContact O-N 3.48Å; L391-L393 PolarHBondContact O-N 3.21Å; L391-M394 HydrophobicContact CB-CE 4.42Å; L391-M394 HydrophobicContact CD1-CE 4.16Å; L391-M394 CarbonylContact O-C 3.55Å; L391-M394 PolarHBondContact O-N 2.9Å; L391-E395 HydrophobicContact CD1-CB 4.49Å; L391-E395 HydrophobicContact CD1-CG 4.29Å; L391-E395 PolarHBondContact O-N 2.74Å; L391-A401 HydrophobicContact CD2-CB 4.29Å; L391-A401 HydrophobicContact CG-CB 4.48Å
392I98.1Very high97.6Very high11 Ų1150 Ų506%0.05625%0.252CS..Hα-helixtrans-59.1-35.9174.5-69162000111.4I388 E389 E395 P396 A401 L402 A405 Y424I388-I392 HydrophobicContact CG2-CD1 4.11Å; I388-I392 HydrophobicContact CG2-CG1 4.48Å; I388-I392 WeakPolarHBondContact O-CG1 3.43Å; I388-I392 PolarHBondContact O-N 2.92Å; E389-I392 PolarHBondContact O-N 3.45Å; I392-E395 CarbonylContact O-C 3.33Å; I392-P396 VanDerWaalsContact O-CA 3.25Å; I392-P396 WeakPolarHBondContact O-CA 3.4Å; I392-A401 HydrophobicContact CD1-CB 4.42Å; I392-A401 HydrophobicContact CG1-CB 3.62Å; I392-L402 HydrophobicContact CD1-CD2 3.98Å; I392-L402 HydrophobicContact CG1-CD2 4.11Å; I392-L402 HydrophobicContact CG2-CD2 3.77Å; I392-A405 HydrophobicContact CD1-CB 3.84Å; I392-Y424 HydrophobicContact CD1-CD2 4.15Å; I392-Y424 HydrophobicContact CD1-CE2 3.55Å
393L97.8Very high97.6Very high148 Ų14847.5 Ų47.578%0.77524%0.237SC*.Hα-helixtrans-68.7-36175.1-67.6172.5000112.5E389 K390 L391E389-L393 WeakPolarHBondContact O-CG 3.31Å; E389-L393 PolarHBondContact O-N 3.23Å; K390-L393 WeakPolarHBondContact O-CB 3.5Å; K390-L393 PolarHBondContact O-N 3.42Å; L391-L393 PolarHBondContact O-N 3.21Å
394M97.3Very high97.6Very high128 Ų12841.7 Ų41.763%0.63121%0.21SC*.Hα-helixtrans-78.5-37.1178.6-66.3-176.3-64.400112.4F240 K390 L391F240-M394 HydrophobicContact CE1-CE 4.43Å; K390-M394 WeakPolarHBondContact O-CG 3.23Å; K390-M394 PolarHBondContact O-N 3.12Å; K390-M394 VanDerWaalsContact O-N 3.11Å; L391-M394 HydrophobicContact CB-CE 4.42Å; L391-M394 HydrophobicContact CD1-CE 4.16Å; L391-M394 CarbonylContact O-C 3.55Å; L391-M394 PolarHBondContact O-N 2.9Å
395E96.4Very high97.6Very high71 Ų7141.4 Ų41.433%0.33221%0.208SC..  trans-128.374.3-176.8-64.8-163.5-171.100111.2P243 L391 I392 E397 N398P243-E395 VanDerWaalsContact CG-CD 3.5Å; P243-E395 VanDerWaalsContact CG-OE1 3.25Å; P243-E395 WeakPolarHBondContact CG-OE1 3.44Å; P243-E395 VanDerWaalsContact CG-OE2 3.22Å; P243-E395 WeakPolarHBondContact CG-OE2 3.4Å; L391-E395 HydrophobicContact CD1-CB 4.49Å; L391-E395 HydrophobicContact CD1-CG 4.29Å; L391-E395 PolarHBondContact O-N 2.74Å; I392-E395 CarbonylContact O-C 3.33Å; E395-E397 PolarHBondContact O-N 3.42Å; E395-E397 VanDerWaalsContact O-N 3.1Å; E395-N398 HydrophobicContact CB-CB 4.01Å; E395-N398 VanDerWaalsContact O-CB 3.32Å; E395-N398 WeakPolarHBondContact O-CB 3.19Å; E395-N398 PolarHBondContact O-N 2.89Å; E395-N398 PolarHBondContact OE2-ND2 2.58Å
396P95.5Very high97.6Very high57 Ų5741.3 Ų41.337%0.3721%0.208SC..THydrogen-bonded Turntrans-63.5-20.9-174.223.4-34.2000114.4I392 N398 K427I392-P396 VanDerWaalsContact O-CA 3.25Å; I392-P396 WeakPolarHBondContact O-CA 3.4Å; P396-N398 VanDerWaalsContact C-N 3.32Å; P396-K427 VanDerWaalsContact CB-NZ 3.29Å; P396-K427 WeakPolarHBondContact O-CE 2.98Å; P396-K427 PolarHBondContact O-NZ 2.89Å
397E96Very high97.5Very high136 Ų13641.2 Ų41.264%0.63620%0.203SC*.THydrogen-bonded Turntrans-87.2-1.5179.4-57.1-61.711000112.8E395 H399 L431E395-E397 PolarHBondContact O-N 3.42Å; E395-E397 VanDerWaalsContact O-N 3.1Å; E397-H399 PolarHBondContact O-N 3.49Å; E397-H399 VanDerWaalsContact O-N 3.07Å; E397-L431 HydrophobicContact CB-CD2 4.09Å; E397-L431 VanDerWaalsContact CD-CD2 3.48Å; E397-L431 HydrophobicContact CG-CD2 4.4Å; E397-L431 WeakPolarHBondContact OE2-CD2 3.25Å
398N96.6Very high97.4Very high3 Ų339.4 Ų39.42%0.01619%0.193CC..  trans-8093.8-179.2-165.6-48.1000111.1P243 E395 P396 W400 A401 L402P243-N398 VanDerWaalsContact C-ND2 3.3Å; P243-N398 PolarHBondContact O-ND2 3.44Å; E395-N398 HydrophobicContact CB-CB 4.01Å; E395-N398 VanDerWaalsContact O-CB 3.32Å; E395-N398 WeakPolarHBondContact O-CB 3.19Å; E395-N398 PolarHBondContact O-N 2.89Å; E395-N398 PolarHBondContact OE2-ND2 2.58Å; P396-N398 VanDerWaalsContact C-N 3.32Å; N398-W400 PolarHBondContact O-N 3.32Å; N398-W400 WeakPolarHBondContact OD1-CB 3.37Å; N398-W400 PolarHBondContact OD1-N 3.5Å; N398-A401 HydrophobicContact CB-CB 4.18Å; N398-A401 PolarHBondContact O-N 3.17Å; N398-A401 PolarHBondContact OD1-N 3.15Å; N398-L402 PolarHBondContact O-N 2.97Å
399H96.5Very high97.4Very high33 Ų3339.4 Ų39.415%0.15319%0.193CC..Hα-helixtrans-61.6-28.5177.873.1-69.6000113.8E397 L402 V403 L431 D432 R435E397-H399 PolarHBondContact O-N 3.49Å; E397-H399 VanDerWaalsContact O-N 3.07Å; H399-L402 PolarHBondContact O-N 3.12Å; H399-V403 WeakPolarHBondContact O-CB 3.48Å; H399-V403 VanDerWaalsContact O-CG2 3.23Å; H399-V403 WeakPolarHBondContact O-CG2 3.32Å; H399-V403 PolarHBondContact O-N 2.92Å; H399-L431 HydrophobicContact CB-CB 4.08Å; H399-L431 HydrophobicContact CB-CD1 4.39Å; H399-D432 HydrophobicContact CB-CB 4.34Å; H399-D432 IonicContact CD2-OD2 3.15Å; H399-D432 IonicContact NE2-OD2 2.58Å; H399-R435 PolarHBondContact NE2-NH1 3.14Å
400W96.9Very high97.1Very high29 Ų2939.8 Ų39.811%0.1120%0.196CC..Hα-helixtrans-68.3-38.4178-69.3119.8000112.1Q246 W249 L250 N398 V403 S404Q246-W400 HydrophobicContact CB-CH2 4.21Å; Q246-W400 HydrophobicContact CB-CZ2 3.47Å; Q246-W400 VanDerWaalsContact CB-CZ2 3.47Å; W249-W400 HydrophobicContact CB-CB 4.46Å; W249-W400 HydrophobicContact CB-CE3 4.48Å; W249-W400 AromaticContact CD1-CG 3.82Å; W249-W400 HydrophobicContact CD2-CB 3.92Å; W249-W400 HydrophobicContact CG-CB 3.74Å; W249-W400 HydrophobicContact CG-CG 4.23Å; W249-W400 HydrophobicContact CZ2-CB 4.49Å; L250-W400 HydrophobicContact CD2-CH2 4.23Å; L250-W400 HydrophobicContact CD2-CZ3 4.13Å; N398-W400 PolarHBondContact O-N 3.32Å; N398-W400 WeakPolarHBondContact OD1-CB 3.37Å; N398-W400 PolarHBondContact OD1-N 3.5Å; W400-V403 PolarHBondContact O-N 3.28Å; W400-S404 VanDerWaalsContact O-CB 3.22Å; W400-S404 WeakPolarHBondContact O-CB 3.42Å; W400-S404 PolarHBondContact O-N 3.05Å; W400-S404 PolarHBondContact O-OG 3.05Å
401A98.1Very high96.8Very high0 Ų036.5 Ų36.50%019%0.186CC..Hα-helixtrans-62.6-46175.300000110.9W249 I388 L391 I392 N398 S404 A405W249-A401 HydrophobicContact CH2-CB 3.9Å; W249-A401 HydrophobicContact CZ2-CB 3.98Å; I388-A401 HydrophobicContact CG2-CB 4.15Å; I388-A401 VanDerWaalsContact CG2-O 3.23Å; I388-A401 WeakPolarHBondContact CG2-O 3.49Å; L391-A401 HydrophobicContact CD2-CB 4.29Å; L391-A401 HydrophobicContact CG-CB 4.48Å; I392-A401 HydrophobicContact CD1-CB 4.42Å; I392-A401 HydrophobicContact CG1-CB 3.62Å; N398-A401 HydrophobicContact CB-CB 4.18Å; N398-A401 PolarHBondContact O-N 3.17Å; N398-A401 PolarHBondContact OD1-N 3.15Å; A401-S404 PolarHBondContact O-N 3.29Å; A401-A405 VanDerWaalsContact O-CB 3.3Å; A401-A405 WeakPolarHBondContact O-CB 3.38Å; A401-A405 PolarHBondContact O-N 2.91Å
402L98.3Very high96.6Very high1 Ų138 Ų381%0.00519%0.193CC..Hα-helixtrans-58.5-51.9176-63.1168.5000111.8I392 N398 H399 S404 A405 V406 Y424 K427 A428 L431I392-L402 HydrophobicContact CD1-CD2 3.98Å; I392-L402 HydrophobicContact CG1-CD2 4.11Å; I392-L402 HydrophobicContact CG2-CD2 3.77Å; N398-L402 PolarHBondContact O-N 2.97Å; H399-L402 PolarHBondContact O-N 3.12Å; L402-S404 VanDerWaalsContact C-N 3.34Å; L402-S404 PolarHBondContact O-N 3.29Å; L402-A405 PolarHBondContact O-N 3.02Å; L402-V406 VanDerWaalsContact O-CG2 3.31Å; L402-V406 WeakPolarHBondContact O-CG2 3.43Å; L402-V406 PolarHBondContact O-N 2.89Å; L402-Y424 HydrophobicContact CD2-CD1 3.96Å; L402-Y424 HydrophobicContact CD2-CD2 4.23Å; L402-Y424 HydrophobicContact CD2-CE1 4.42Å; L402-Y424 HydrophobicContact CD2-CG 3.85Å; L402-K427 HydrophobicContact CD1-CB 3.87Å; L402-K427 HydrophobicContact CD1-CD 3.78Å; L402-K427 HydrophobicContact CD1-CG 3.71Å; L402-K427 HydrophobicContact CD2-CD 4.05Å; L402-A428 HydrophobicContact CB-CB 4.43Å; L402-A428 HydrophobicContact CD1-CB 4.4Å; L402-L431 HydrophobicContact CD1-CD1 3.59Å
403V97.7Very high96.2Very high6 Ų638.2 Ų38.24%0.03620%0.198CC..Hα-helixtrans-62.6-42.3-178.4171.30000111.3H399 W400 V406 M407 A428 Y439 W442H399-V403 WeakPolarHBondContact O-CB 3.48Å; H399-V403 VanDerWaalsContact O-CG2 3.23Å; H399-V403 WeakPolarHBondContact O-CG2 3.32Å; H399-V403 PolarHBondContact O-N 2.92Å; W400-V403 PolarHBondContact O-N 3.28Å; V403-V406 PolarHBondContact O-N 3.12Å; V403-M407 HydrophobicContact CG1-CE 4.03Å; V403-M407 WeakPolarHBondContact O-CG 3.48Å; V403-M407 PolarHBondContact O-N 3.07Å; V403-A428 HydrophobicContact CG2-CB 4.12Å; V403-Y439 HydrophobicContact CG2-CD1 4.14Å; V403-Y439 HydrophobicContact CG2-CE1 3.39Å; V403-W442 HydrophobicContact CG1-CZ3 4.3Å
404S97.8Very high95.7Very high0 Ų033.7 Ų33.70%017%0.171CC..Hα-helixtrans-71.4-33.9-179.4-54.10000111.7W249 N253 W400 A401 L402 M407 R408W249-S404 VanDerWaalsContact CZ3-CB 3.5Å; N253-S404 PolarHBondContact ND2-OG 3.39Å; N253-S404 PolarHBondContact OD1-OG 3.24Å; W400-S404 VanDerWaalsContact O-CB 3.22Å; W400-S404 WeakPolarHBondContact O-CB 3.42Å; W400-S404 PolarHBondContact O-N 3.05Å; W400-S404 PolarHBondContact O-OG 3.05Å; A401-S404 PolarHBondContact O-N 3.29Å; L402-S404 VanDerWaalsContact C-N 3.34Å; L402-S404 PolarHBondContact O-N 3.29Å; S404-M407 WeakPolarHBondContact O-CB 3.23Å; S404-M407 PolarHBondContact O-N 3.04Å; S404-R408 WeakPolarHBondContact O-CD 3.39Å; S404-R408 PolarHBondContact O-N 3.4Å
405A98.3Very high95.2Very high0 Ų031.2 Ų31.20%016%0.16CC..Hα-helixtrans-61.8-45170.200000111.4L385 I388 I392 A401 L402 M407 R408 M409 Y424L385-A405 HydrophobicContact CD1-CB 3.72Å; I388-A405 HydrophobicContact CG2-CB 3.84Å; I392-A405 HydrophobicContact CD1-CB 3.84Å; A401-A405 VanDerWaalsContact O-CB 3.3Å; A401-A405 WeakPolarHBondContact O-CB 3.38Å; A401-A405 PolarHBondContact O-N 2.91Å; L402-A405 PolarHBondContact O-N 3.02Å; A405-M407 VanDerWaalsContact C-N 3.3Å; A405-M407 PolarHBondContact O-N 3.1Å; A405-R408 PolarHBondContact O-N 3.17Å; A405-R408 VanDerWaalsContact O-N 3.15Å; A405-M409 HydrophobicContact CB-CE 3.87Å; A405-M409 VanDerWaalsContact O-CG 3.31Å; A405-M409 WeakPolarHBondContact O-CG 3.24Å; A405-M409 PolarHBondContact O-N 3.02Å; A405-Y424 HydrophobicContact CB-CD2 3.82Å; A405-Y424 HydrophobicContact CB-CE2 3.75Å
406V97.9Very high94.9Very high0 Ų034.8 Ų34.80%018%0.182CC..Hα-helixtrans-60-40.5174.7179.50000110.9L402 V403 R408 M409 D410 M421 Y424 L425 W442L402-V406 VanDerWaalsContact O-CG2 3.31Å; L402-V406 WeakPolarHBondContact O-CG2 3.43Å; L402-V406 PolarHBondContact O-N 2.89Å; V403-V406 PolarHBondContact O-N 3.12Å; V406-R408 VanDerWaalsContact C-N 3.34Å; V406-R408 PolarHBondContact O-N 2.72Å; V406-M409 PolarHBondContact O-N 3.39Å; V406-D410 WeakPolarHBondContact O-CB 3.43Å; V406-D410 PolarHBondContact O-N 3.21Å; V406-M421 HydrophobicContact CG1-CB 4.16Å; V406-M421 HydrophobicContact CG1-CE 3.6Å; V406-M421 HydrophobicContact CG1-CG 4.09Å; V406-Y424 HydrophobicContact CG2-CD2 4.32Å; V406-Y424 HydrophobicContact CG2-CG 4.48Å; V406-L425 HydrophobicContact CG1-CD1 4.31Å; V406-L425 HydrophobicContact CG1-CD2 4.26Å; V406-L425 HydrophobicContact CG1-CG 4.2Å; V406-L425 HydrophobicContact CG2-CD2 4.4Å; V406-L425 HydrophobicContact CG2-CG 4.16Å; V406-W442 HydrophobicContact CB-CH2 3.92Å; V406-W442 HydrophobicContact CB-CZ2 4.39Å; V406-W442 HydrophobicContact CB-CZ3 4.24Å; V406-W442 HydrophobicContact CG1-CD2 4.21Å; V406-W442 HydrophobicContact CG1-CE3 4.23Å; V406-W442 HydrophobicContact CG1-CH2 3.45Å; V406-W442 VanDerWaalsContact CG1-CH2 3.45Å; V406-W442 HydrophobicContact CG1-CZ2 3.49Å; V406-W442 VanDerWaalsContact CG1-CZ2 3.49Å; V406-W442 HydrophobicContact CG1-CZ3 3.86Å
407M96.6Very high94.9Very high44 Ų4434.8 Ų34.822%0.21718%0.175CC..Hα-helixtrans-60.5-41175.2-70.2-177174.100112.3N253 V403 S404 A405 D410 V411 W442N253-M407 HydrophobicContact CB-SD 3.68Å; N253-M407 PolarHBondContact ND2-SD 2.85Å; N253-M407 VanDerWaalsContact ND2-SD 3.42Å; V403-M407 HydrophobicContact CG1-CE 4.03Å; V403-M407 WeakPolarHBondContact O-CG 3.48Å; V403-M407 PolarHBondContact O-N 3.07Å; S404-M407 WeakPolarHBondContact O-CB 3.23Å; S404-M407 PolarHBondContact O-N 3.04Å; A405-M407 VanDerWaalsContact C-N 3.3Å; A405-M407 PolarHBondContact O-N 3.1Å; M407-D410 PolarHBondContact O-N 2.7Å; M407-V411 WeakPolarHBondContact O-CG2 3.3Å; M407-V411 PolarHBondContact O-N 3.46Å; M407-W442 HydrophobicContact CB-CH2 4.33Å; M407-W442 HydrophobicContact CE-CH2 4.45Å; M407-W442 HydrophobicContact CE-CZ3 4.46Å; M407-W442 HydrophobicContact CG-CH2 3.49Å; M407-W442 VanDerWaalsContact CG-CH2 3.49Å; M407-W442 HydrophobicContact CG-CZ2 4.4Å; M407-W442 HydrophobicContact CG-CZ3 4.24Å
408R97Very high94.7Very high1 Ų128.9 Ų28.90%0.00415%0.149CC..Hα-helixtrans-65.1-45.7175.3-95.350.5165.5-157.2-10.4111.8N253 T256 N384 L385 S404 A405 V406 D410 V411 I412N253-R408 PolarHBondContact OD1-NH1 3.34Å; T256-R408 PolarHBondContact OG1-NE 2.86Å; T256-R408 PolarHBondContact OG1-NH1 3.03Å; N384-R408 PolarHBondContact OD1-NE 3.09Å; N384-R408 PolarHBondContact OD1-NH2 3.07Å; L385-R408 HydrophobicContact CB-CB 4.03Å; L385-R408 HydrophobicContact CB-CG 4.28Å; L385-R408 HydrophobicContact CD1-CB 4.02Å; L385-R408 HydrophobicContact CD2-CB 4.44Å; L385-R408 HydrophobicContact CG-CB 4.39Å; S404-R408 WeakPolarHBondContact O-CD 3.39Å; S404-R408 PolarHBondContact O-N 3.4Å; A405-R408 PolarHBondContact O-N 3.17Å; A405-R408 VanDerWaalsContact O-N 3.15Å; V406-R408 VanDerWaalsContact C-N 3.34Å; V406-R408 PolarHBondContact O-N 2.72Å; R408-D410 VanDerWaalsContact C-N 3.3Å; R408-D410 PolarHBondContact O-N 2.99Å; R408-V411 PolarHBondContact O-N 3.42Å; R408-I412 HydrophobicContact CB-CD1 4.08Å; R408-I412 HydrophobicContact CG-CD1 4.41Å; R408-I412 WeakPolarHBondContact O-CB 3.33Å; R408-I412 WeakPolarHBondContact O-CD1 3.39Å; R408-I412 WeakPolarHBondContact O-CG1 3.49Å; R408-I412 PolarHBondContact O-N 3.01Å
409M97Very high94.6Very high0 Ų037.1 Ų37.10%019%0.188CC..Hα-helixtrans-58.3-43.7177.2-70.7177.2-144.300111.8L385 A405 V406 V411 G413 R414 Y417 K420 M421 Y424L385-M409 HydrophobicContact CD1-CE 3.82Å; L385-M409 HydrophobicContact CD1-CG 4.26Å; L385-M409 HydrophobicContact CD2-CG 3.81Å; A405-M409 HydrophobicContact CB-CE 3.87Å; A405-M409 VanDerWaalsContact O-CG 3.31Å; A405-M409 WeakPolarHBondContact O-CG 3.24Å; A405-M409 PolarHBondContact O-N 3.02Å; V406-M409 PolarHBondContact O-N 3.39Å; M409-V411 VanDerWaalsContact C-N 3.31Å; M409-V411 PolarHBondContact O-N 3.28Å; M409-G413 CarbonylContact O-C 3.56Å; M409-G413 PolarHBondContact O-N 3.18Å; M409-R414 WeakPolarHBondContact O-CA 3.07Å; M409-R414 PolarHBondContact O-N 3.48Å; M409-Y417 HydrophobicContact CB-CD2 3.85Å; M409-Y417 HydrophobicContact CB-CG 3.78Å; M409-Y417 HydrophobicContact CG-CD1 3.9Å; M409-Y417 HydrophobicContact CG-CD2 3.88Å; M409-Y417 HydrophobicContact CG-CG 3.53Å; M409-Y417 HydrophobicContact SD-CD1 4.13Å; M409-Y417 HydrophobicContact SD-CG 4.05Å; M409-K420 HydrophobicContact CE-CD 4.2Å; M409-K420 HydrophobicContact CE-CG 4.22Å; M409-K420 HydrophobicContact SD-CB 4.29Å; M409-K420 VanDerWaalsContact SD-CE 3.52Å; M409-K420 HydrophobicContact SD-CG 4.33Å; M409-M421 HydrophobicContact CB-CG 3.63Å; M409-M421 HydrophobicContact CB-SD 3.83Å; M409-M421 HydrophobicContact CG-CG 4.25Å; M409-M421 HydrophobicContact SD-CG 3.58Å; M409-M421 VanDerWaalsContact SD-CG 3.58Å; M409-Y424 HydrophobicContact CE-CD2 3.63Å; M409-Y424 HydrophobicContact CE-CE2 3.41Å; M409-Y424 VanDerWaalsContact CE-CE2 3.41Å
410D93.1Very high94.6Very high55 Ų5538.1 Ų38.129%0.29419%0.191SC..Hα-helixtrans-60.4-40.4178.9-160.957.4000112V406 M407 R408 R414 M421 W442V406-D410 WeakPolarHBondContact O-CB 3.43Å; V406-D410 PolarHBondContact O-N 3.21Å; M407-D410 PolarHBondContact O-N 2.7Å; R408-D410 VanDerWaalsContact C-N 3.3Å; R408-D410 PolarHBondContact O-N 2.99Å; D410-R414 WeakPolarHBondContact OD1-CD 3.48Å; D410-R414 VanDerWaalsContact OD1-CG 3.3Å; D410-R414 WeakPolarHBondContact OD1-CG 3.22Å; D410-R414 IonicContact OD1-CZ 3.7Å; D410-R414 IonicContact OD1-NE 3.92Å; D410-R414 PolarHBondContact OD1-NE 2.86Å; D410-M421 HydrophobicContact CB-CE 3.78Å; D410-W442 HydrophobicContact CB-CZ2 4.28Å
411V92.1Very high94.7Very high38 Ų3836.8 Ų36.823%0.2319%0.186CC..Hα-helixtrans-80.2-41-177.81720000113P258 L373 L381 M407 R408 M409P258-V411 HydrophobicContact CG-CG1 4.2Å; L373-V411 HydrophobicContact CD1-CG1 3.29Å; L381-V411 HydrophobicContact CD1-CG1 4.07Å; M407-V411 WeakPolarHBondContact O-CG2 3.3Å; M407-V411 PolarHBondContact O-N 3.46Å; R408-V411 PolarHBondContact O-N 3.42Å; M409-V411 VanDerWaalsContact C-N 3.31Å; M409-V411 PolarHBondContact O-N 3.28Å
412I93Very high94.6Very high37 Ų3738 Ų3819%0.1919%0.194CC..Hα-helixtrans-77.4-41.9-176.4-62.6162.4000111.2L381 L385 R408 Y417L381-I412 VanDerWaalsContact C-CD1 3.5Å; L381-I412 HydrophobicContact CB-CD1 3.72Å; L381-I412 HydrophobicContact CB-CG1 3.84Å; L381-I412 WeakPolarHBondContact O-CD1 3.23Å; L385-I412 HydrophobicContact CB-CD1 4.46Å; L385-I412 HydrophobicContact CD2-CD1 4.38Å; R408-I412 HydrophobicContact CB-CD1 4.08Å; R408-I412 HydrophobicContact CG-CD1 4.41Å; R408-I412 WeakPolarHBondContact O-CB 3.33Å; R408-I412 WeakPolarHBondContact O-CD1 3.39Å; R408-I412 WeakPolarHBondContact O-CG1 3.49Å; R408-I412 PolarHBondContact O-N 3.01Å; I412-Y417 HydrophobicContact CG2-CE2 4.4Å
413G89.8Confident94.5Very high16 Ų1643.8 Ų43.817%0.16522%0.221CC..Hα-helixtrans-176.361.8-168.700000112.9M409 N415 D416 Y417M409-G413 CarbonylContact O-C 3.56Å; M409-G413 PolarHBondContact O-N 3.18Å; G413-N415 PolarHBondContact O-N 3.37Å; G413-D416 PolarHBondContact O-N 3.24Å; G413-Y417 VanDerWaalsContact O-CD2 3.25Å; G413-Y417 WeakPolarHBondContact O-CD2 3.35Å; G413-Y417 PolarHBondContact O-N 3.5Å
414R88.3Confident94.6Very high52 Ų5244.7 Ų44.720%0.19622%0.224CC..THydrogen-bonded Turntrans-42.8-42.4-175.7-177-179.6-177.7170.2-1.5114.2M409 D410 A418 M421 S445 L446 D449M409-R414 WeakPolarHBondContact O-CA 3.07Å; M409-R414 PolarHBondContact O-N 3.48Å; D410-R414 WeakPolarHBondContact OD1-CD 3.48Å; D410-R414 VanDerWaalsContact OD1-CG 3.3Å; D410-R414 WeakPolarHBondContact OD1-CG 3.22Å; D410-R414 IonicContact OD1-CZ 3.7Å; D410-R414 IonicContact OD1-NE 3.92Å; D410-R414 PolarHBondContact OD1-NE 2.86Å; R414-A418 PolarHBondContact O-N 3.01Å; R414-M421 HydrophobicContact CG-CE 4.35Å; R414-M421 HydrophobicContact CG-SD 4.3Å; R414-S445 PolarHBondContact NH2-O 3.46Å; R414-S445 PolarHBondContact NH2-OG 3.47Å; R414-L446 HydrophobicContact CG-CD1 3.83Å; R414-D449 IonicContact CZ-OD2 2.85Å; R414-D449 IonicContact NE-OD2 2.68Å; R414-D449 IonicContact NH1-OD2 3.44Å
415N85.6Confident94.5Very high77 Ų7744.7 Ų44.741%0.41222%0.224SC..THydrogen-bonded Turntrans-72.5-40.5-176.4-63.9-39.9000112.6G413 Y417 A418G413-N415 PolarHBondContact O-N 3.37Å; N415-Y417 PolarHBondContact O-N 3.21Å; N415-A418 PolarHBondContact O-N 3.26Å
416D90.6Very high94.5Very high146 Ų14647.2 Ų47.278%0.78124%0.237SC*.THydrogen-bonded Turntrans-69.4-22.5-178-59.4-36.6000111.8G413G413-D416 PolarHBondContact O-N 3.24Å
417Y95.1Very high94.5Very high57 Ų5750 Ų5022%0.22425%0.249CC..THydrogen-bonded Turntrans-106.94.4-178.6-66.8-66.7000114.6L385 M409 I412 G413 N415 E419 K420 M421L385-Y417 HydrophobicContact CD2-CE1 4.32Å; M409-Y417 HydrophobicContact CB-CD2 3.85Å; M409-Y417 HydrophobicContact CB-CG 3.78Å; M409-Y417 HydrophobicContact CG-CD1 3.9Å; M409-Y417 HydrophobicContact CG-CD2 3.88Å; M409-Y417 HydrophobicContact CG-CG 3.53Å; M409-Y417 HydrophobicContact SD-CD1 4.13Å; M409-Y417 HydrophobicContact SD-CG 4.05Å; I412-Y417 HydrophobicContact CG2-CE2 4.4Å; G413-Y417 VanDerWaalsContact O-CD2 3.25Å; G413-Y417 WeakPolarHBondContact O-CD2 3.35Å; G413-Y417 PolarHBondContact O-N 3.5Å; N415-Y417 PolarHBondContact O-N 3.21Å; Y417-E419 VanDerWaalsContact C-N 3.33Å; Y417-E419 PolarHBondContact O-N 2.89Å; Y417-K420 PolarHBondContact O-N 3.03Å; Y417-M421 VanDerWaalsContact O-CG 3.31Å; Y417-M421 WeakPolarHBondContact O-CG 3.21Å; Y417-M421 PolarHBondContact O-N 3.48Å
418A92.6Very high94.5Very high12 Ų1248 Ų4810%0.09924%0.239CC..Hα-helixtrans-53.7-44.8-168.400000113.7R414 N415 M421 V422 L446R414-A418 PolarHBondContact O-N 3.01Å; N415-A418 PolarHBondContact O-N 3.26Å; A418-M421 PolarHBondContact O-N 3.16Å; A418-V422 WeakPolarHBondContact O-CG2 3.38Å; A418-V422 PolarHBondContact O-N 2.91Å; A418-L446 HydrophobicContact CB-CD1 4.08Å; A418-L446 HydrophobicContact CB-CD2 4.44Å; A418-L446 HydrophobicContact CB-CG 4.36Å; A418-L446 WeakPolarHBondContact O-CD2 3.25Å
419E94.4Very high94.5Very high176 Ų17649.3 Ų49.382%0.82225%0.246SC*.Hα-helixtrans-63.7-45.3178.8-65-175.317200112.2Y417 M421 V422 E423Y417-E419 VanDerWaalsContact C-N 3.33Å; Y417-E419 PolarHBondContact O-N 2.89Å; E419-M421 PolarHBondContact O-N 2.98Å; E419-V422 PolarHBondContact O-N 2.96Å; E419-E423 PolarHBondContact O-N 3.37Å
420K97.2Very high94.5Very high54 Ų5456 Ų5624%0.23528%0.277CS..Hα-helixtrans-67.4-36.6179.1-164.6169.772.2-175.60111.9E389 M409 Y417 V422 E423 Y424E389-K420 WeakPolarHBondContact OE1-CE 3.49Å; E389-K420 IonicContact OE1-NZ 2.71Å; E389-K420 PolarHBondContact OE1-NZ 3.31Å; E389-K420 IonicContact OE2-NZ 3.56Å; M409-K420 HydrophobicContact CE-CD 4.2Å; M409-K420 HydrophobicContact CE-CG 4.22Å; M409-K420 HydrophobicContact SD-CB 4.29Å; M409-K420 VanDerWaalsContact SD-CE 3.52Å; M409-K420 HydrophobicContact SD-CG 4.33Å; Y417-K420 PolarHBondContact O-N 3.03Å; K420-V422 VanDerWaalsContact C-N 3.35Å; K420-E423 WeakPolarHBondContact O-CB 3.38Å; K420-E423 PolarHBondContact O-N 2.86Å; K420-Y424 HydrophobicContact CG-CD1 4.49Å; K420-Y424 HydrophobicContact CG-CE1 4.11Å; K420-Y424 HydrophobicContact CG-CE2 4.46Å; K420-Y424 PolarHBondContact O-N 3.19Å
421M97.8Very high94.7Very high0 Ų055.8 Ų55.80%028%0.276CS..Hα-helixtrans-61.4-43.7173.3-70.2172.77600111.2V406 M409 D410 R414 Y417 A418 E419 Y424 L425 L446V406-M421 HydrophobicContact CG1-CB 4.16Å; V406-M421 HydrophobicContact CG1-CE 3.6Å; V406-M421 HydrophobicContact CG1-CG 4.09Å; M409-M421 HydrophobicContact CB-CG 3.63Å; M409-M421 HydrophobicContact CB-SD 3.83Å; M409-M421 HydrophobicContact CG-CG 4.25Å; M409-M421 HydrophobicContact SD-CG 3.58Å; M409-M421 VanDerWaalsContact SD-CG 3.58Å; D410-M421 HydrophobicContact CB-CE 3.78Å; R414-M421 HydrophobicContact CG-CE 4.35Å; R414-M421 HydrophobicContact CG-SD 4.3Å; Y417-M421 VanDerWaalsContact O-CG 3.31Å; Y417-M421 WeakPolarHBondContact O-CG 3.21Å; Y417-M421 PolarHBondContact O-N 3.48Å; A418-M421 PolarHBondContact O-N 3.16Å; E419-M421 PolarHBondContact O-N 2.98Å; M421-Y424 PolarHBondContact O-N 2.93Å; M421-L425 WeakPolarHBondContact O-CB 3.43Å; M421-L425 WeakPolarHBondContact O-CG 3.36Å; M421-L425 PolarHBondContact O-N 3.47Å; M421-L446 HydrophobicContact CB-CD2 3.51Å; M421-L446 HydrophobicContact CE-CD1 4.36Å; M421-L446 HydrophobicContact CE-CD2 4.29Å; M421-L446 HydrophobicContact CG-CD2 4.45Å; M421-L446 HydrophobicContact SD-CD1 4.24Å; M421-L446 HydrophobicContact SD-CD2 4.18Å
422V95.9Very high94.9Very high26 Ų2654.8 Ų54.816%0.15827%0.269CS..Hα-helixtrans-60.6-46.1175.5171.40000111A418 E419 K420 Y424 L425 D426 K443 L446 L447A418-V422 WeakPolarHBondContact O-CG2 3.38Å; A418-V422 PolarHBondContact O-N 2.91Å; E419-V422 PolarHBondContact O-N 2.96Å; K420-V422 VanDerWaalsContact C-N 3.35Å; V422-Y424 PolarHBondContact O-N 2.75Å; V422-L425 PolarHBondContact O-N 3.38Å; V422-D426 PolarHBondContact O-N 3.04Å; V422-K443 HydrophobicContact CG1-CD 4.02Å; V422-K443 HydrophobicContact CG1-CG 4.35Å; V422-K443 HydrophobicContact CG2-CG 4.42Å; V422-L446 HydrophobicContact CG2-CD2 3.76Å; V422-L447 HydrophobicContact CG2-CD2 4.12Å; V422-L447 HydrophobicContact CG2-CG 4.49Å
423E97.3Very high95Very high123 Ų12362.5 Ų62.558%0.57530%0.296SS*.Hα-helixtrans-56.7-48.3177.2-175.1-169.4151.900111.8E419 K420 D426 K427E419-E423 PolarHBondContact O-N 3.37Å; K420-E423 WeakPolarHBondContact O-CB 3.38Å; K420-E423 PolarHBondContact O-N 2.86Å; E423-D426 PolarHBondContact O-N 2.97Å; E423-K427 PolarHBondContact O-N 3.15Å
424Y98.3Very high95.3Very high25 Ų2571.2 Ų71.210%0.09833%0.329CS..Hα-helixtrans-68.8-36.1-178.7-75.39.2000112.5E389 I392 L402 A405 V406 M409 K420 M421 V422 K427 A428E389-Y424 PolarHBondContact OE1-OH 2.87Å; I392-Y424 HydrophobicContact CD1-CD2 4.15Å; I392-Y424 HydrophobicContact CD1-CE2 3.55Å; L402-Y424 HydrophobicContact CD2-CD1 3.96Å; L402-Y424 HydrophobicContact CD2-CD2 4.23Å; L402-Y424 HydrophobicContact CD2-CE1 4.42Å; L402-Y424 HydrophobicContact CD2-CG 3.85Å; A405-Y424 HydrophobicContact CB-CD2 3.82Å; A405-Y424 HydrophobicContact CB-CE2 3.75Å; V406-Y424 HydrophobicContact CG2-CD2 4.32Å; V406-Y424 HydrophobicContact CG2-CG 4.48Å; M409-Y424 HydrophobicContact CE-CD2 3.63Å; M409-Y424 HydrophobicContact CE-CE2 3.41Å; M409-Y424 VanDerWaalsContact CE-CE2 3.41Å; K420-Y424 HydrophobicContact CG-CD1 4.49Å; K420-Y424 HydrophobicContact CG-CE1 4.11Å; K420-Y424 HydrophobicContact CG-CE2 4.46Å; K420-Y424 PolarHBondContact O-N 3.19Å; M421-Y424 PolarHBondContact O-N 2.93Å; V422-Y424 PolarHBondContact O-N 2.75Å; Y424-K427 PolarHBondContact O-N 2.8Å; Y424-A428 WeakPolarHBondContact O-CB 3.45Å; Y424-A428 PolarHBondContact O-N 3.36Å
425L97.5Very high95.7Very high0 Ų073.4 Ų73.40%034%0.337CS..Hα-helixtrans-66.3-41.6174.6-72.8170.6000111.8V406 M421 V422 K427 A428 M429 Y439 W442 K443V406-L425 HydrophobicContact CG1-CD1 4.31Å; V406-L425 HydrophobicContact CG1-CD2 4.26Å; V406-L425 HydrophobicContact CG1-CG 4.2Å; V406-L425 HydrophobicContact CG2-CD2 4.4Å; V406-L425 HydrophobicContact CG2-CG 4.16Å; M421-L425 WeakPolarHBondContact O-CB 3.43Å; M421-L425 WeakPolarHBondContact O-CG 3.36Å; M421-L425 PolarHBondContact O-N 3.47Å; V422-L425 PolarHBondContact O-N 3.38Å; L425-K427 VanDerWaalsContact C-N 3.35Å; L425-A428 PolarHBondContact O-N 3.28Å; L425-M429 VanDerWaalsContact O-CG 3.29Å; L425-M429 WeakPolarHBondContact O-CG 2.83Å; L425-M429 PolarHBondContact O-N 3.49Å; L425-Y439 HydrophobicContact CD2-CD1 4.22Å; L425-W442 HydrophobicContact CD1-CB 4.15Å; L425-W442 HydrophobicContact CD1-CD2 4.44Å; L425-W442 HydrophobicContact CD1-CG 4.15Å; L425-W442 HydrophobicContact CD2-CB 4.28Å; L425-W442 HydrophobicContact CD2-CD2 4.12Å; L425-W442 HydrophobicContact CD2-CE3 3.68Å; L425-W442 HydrophobicContact CD2-CG 4.4Å; L425-W442 HydrophobicContact CD2-CZ3 4.31Å; L425-K443 HydrophobicContact CB-CB 4.43Å; L425-K443 HydrophobicContact CD1-CB 4Å
426D96.5Very high96.1Very high52 Ų5273.6 Ų73.628%0.27834%0.337SS..Hα-helixtrans-61.2-45.3175.3-78.4-32.2000110.9V422 E423 A428 M429 E430 K443V422-D426 PolarHBondContact O-N 3.04Å; E423-D426 PolarHBondContact O-N 2.97Å; D426-A428 PolarHBondContact O-N 3.11Å; D426-M429 WeakPolarHBondContact O-CB 3.33Å; D426-M429 PolarHBondContact O-N 3.49Å; D426-E430 PolarHBondContact O-N 2.93Å; D426-K443 WeakPolarHBondContact OD1-CD 3.3Å; D426-K443 IonicContact OD1-NZ 3.13Å; D426-K443 PolarHBondContact OD1-NZ 3.25Å; D426-K443 IonicContact OD2-NZ 2.89Å; D426-K443 PolarHBondContact OD2-NZ 2.93Å
427K98Very high96.2Very high59 Ų5971.8 Ų71.826%0.25733%0.327SS..Hα-helixtrans-63.5-41.3175.6-166.7178.9-172.9-166.30112.4P396 L402 E423 Y424 L425 M429 E430 L431P396-K427 VanDerWaalsContact CB-NZ 3.29Å; P396-K427 WeakPolarHBondContact O-CE 2.98Å; P396-K427 PolarHBondContact O-NZ 2.89Å; L402-K427 HydrophobicContact CD1-CB 3.87Å; L402-K427 HydrophobicContact CD1-CD 3.78Å; L402-K427 HydrophobicContact CD1-CG 3.71Å; L402-K427 HydrophobicContact CD2-CD 4.05Å; E423-K427 PolarHBondContact O-N 3.15Å; Y424-K427 PolarHBondContact O-N 2.8Å; L425-K427 VanDerWaalsContact C-N 3.35Å; K427-M429 VanDerWaalsContact C-N 3.28Å; K427-M429 PolarHBondContact O-N 2.8Å; K427-E430 WeakPolarHBondContact O-CB 3.45Å; K427-E430 PolarHBondContact O-N 3.2Å; K427-E430 VanDerWaalsContact O-N 3.15Å; K427-L431 HydrophobicContact CG-CD1 4.11Å; K427-L431 WeakPolarHBondContact O-CG 3.32Å; K427-L431 PolarHBondContact O-N 3.13Å; K427-L431 VanDerWaalsContact O-N 3.17Å
428A97.9Very high96.1Very high1 Ų174 Ų741%0.00834%0.338CS..Hα-helixtrans-62.2-35175.800000112.4L402 V403 Y424 L425 D426 E430 L431 D432 Y439L402-A428 HydrophobicContact CB-CB 4.43Å; L402-A428 HydrophobicContact CD1-CB 4.4Å; V403-A428 HydrophobicContact CG2-CB 4.12Å; Y424-A428 WeakPolarHBondContact O-CB 3.45Å; Y424-A428 PolarHBondContact O-N 3.36Å; L425-A428 PolarHBondContact O-N 3.28Å; D426-A428 PolarHBondContact O-N 3.11Å; A428-E430 VanDerWaalsContact C-N 3.32Å; A428-E430 PolarHBondContact O-N 3.1Å; A428-L431 PolarHBondContact O-N 3.45Å; A428-D432 PolarHBondContact O-N 2.84Å; A428-Y439 HydrophobicContact CB-CD1 4.13Å; A428-Y439 HydrophobicContact CB-CD2 4.22Å; A428-Y439 HydrophobicContact CB-CE1 4.13Å; A428-Y439 HydrophobicContact CB-CE2 4.19Å; A428-Y439 HydrophobicContact CB-CG 4.2Å; A428-Y439 WeakPolarHBondContact O-CE2 3.45Å
429M96.8Very high96.2Very high30 Ų3073.5 Ų73.515%0.14833%0.334CS..Hα-helixtrans-62.9-36.8173.9-72170.459.100113L425 D426 K427 M436 Y439 L440L425-M429 VanDerWaalsContact O-CG 3.29Å; L425-M429 WeakPolarHBondContact O-CG 2.83Å; L425-M429 PolarHBondContact O-N 3.49Å; D426-M429 WeakPolarHBondContact O-CB 3.33Å; D426-M429 PolarHBondContact O-N 3.49Å; K427-M429 VanDerWaalsContact C-N 3.28Å; K427-M429 PolarHBondContact O-N 2.8Å; M429-M436 HydrophobicContact CB-CG 4.28Å; M429-M436 HydrophobicContact CE-CG 3.65Å; M429-M436 HydrophobicContact CE-SD 4.4Å; M429-M436 HydrophobicContact CG-CG 4.22Å; M429-Y439 HydrophobicContact CB-CD2 4.35Å; M429-Y439 HydrophobicContact CG-CD2 3.75Å; M429-Y439 HydrophobicContact CG-CG 3.97Å; M429-L440 HydrophobicContact CE-CB 3.99Å; M429-L440 HydrophobicContact CE-CD1 3.97Å; M429-L440 HydrophobicContact CE-CD2 4.39Å; M429-L440 HydrophobicContact CE-CG 4.36Å; M429-L440 HydrophobicContact SD-CB 4.12Å; M429-L440 HydrophobicContact SD-CD1 4.34Å
430E96.8Very high96.1Very high139 Ų13966.5 Ų66.565%0.6530%0.302SS*.Hα-helixtrans-68.7-43.4178-66.6179.5179.300111.8D426 K427 A428D426-E430 PolarHBondContact O-N 2.93Å; K427-E430 WeakPolarHBondContact O-CB 3.45Å; K427-E430 PolarHBondContact O-N 3.2Å; K427-E430 VanDerWaalsContact O-N 3.15Å; A428-E430 VanDerWaalsContact C-N 3.32Å; A428-E430 PolarHBondContact O-N 3.1Å
431L97.2Very high95.8Very high52 Ų5270.5 Ų70.527%0.27232%0.316SS..Hα-helixtrans-76-40-176.5-63.4170.9000113E397 H399 L402 K427 A428E397-L431 HydrophobicContact CB-CD2 4.09Å; E397-L431 VanDerWaalsContact CD-CD2 3.48Å; E397-L431 HydrophobicContact CG-CD2 4.4Å; E397-L431 WeakPolarHBondContact OE2-CD2 3.25Å; H399-L431 HydrophobicContact CB-CB 4.08Å; H399-L431 HydrophobicContact CB-CD1 4.39Å; L402-L431 HydrophobicContact CD1-CD1 3.59Å; K427-L431 HydrophobicContact CG-CD1 4.11Å; K427-L431 WeakPolarHBondContact O-CG 3.32Å; K427-L431 PolarHBondContact O-N 3.13Å; K427-L431 VanDerWaalsContact O-N 3.17Å; A428-L431 PolarHBondContact O-N 3.45Å
432D96.3Very high95.5Very high16 Ų1672 Ų729%0.08632%0.322CS..  trans-122.571.6-178.2179.422.2000112.4H399 A428 K434 R435 M436 Y439H399-D432 HydrophobicContact CB-CB 4.34Å; H399-D432 IonicContact CD2-OD2 3.15Å; H399-D432 IonicContact NE2-OD2 2.58Å; A428-D432 PolarHBondContact O-N 2.84Å; D432-K434 PolarHBondContact O-N 3.05Å; D432-K434 PolarHBondContact OD1-N 3.29Å; D432-R435 PolarHBondContact O-N 3.36Å; D432-R435 IonicContact OD1-NH1 3.78Å; D432-R435 VanDerWaalsContact OD2-CB 3.26Å; D432-R435 WeakPolarHBondContact OD2-CB 3.26Å; D432-R435 WeakPolarHBondContact OD2-CD 3.49Å; D432-R435 WeakPolarHBondContact OD2-CG 3.33Å; D432-R435 IonicContact OD2-CZ 2.86Å; D432-R435 IonicContact OD2-NE 3.6Å; D432-R435 IonicContact OD2-NH1 3.72Å; D432-R435 PolarHBondContact OD2-NH1 3.19Å; D432-M436 PolarHBondContact O-N 2.96Å; D432-Y439 HydrophobicContact CB-CE2 3.94Å; D432-Y439 PolarHBondContact OD2-OH 3.32Å
433R95.9Very high95.4Very high200 Ų20072.7 Ų72.776%0.75532%0.323SS*.G310 helixtrans-57.4-23.7179.9-60.4-176.7-174.6178.9-1.2113.9R435 M436R433-R435 VanDerWaalsContact C-N 3.26Å; R433-R435 PolarHBondContact O-N 3.18Å; R433-M436 WeakPolarHBondContact O-CB 3.24Å; R433-M436 PolarHBondContact O-N 3.4Å
434K96.3Very high95.1Very high199 Ų19967 Ų6787%0.86530%0.296SS*.G310 helixtrans-70.5-25.4178.6-69.5178.8-177.3166.20112.2D432D432-K434 PolarHBondContact O-N 3.05Å; D432-K434 PolarHBondContact OD1-N 3.29Å
435R95.7Very high94.7Very high97 Ų9767 Ų6737%0.36630%0.3SS..G310 helixtrans-109.915.3176.5-55.9-175.1-171.7108.8-14.9112.6H399 D432 R433 N437 F438 Y439H399-R435 PolarHBondContact NE2-NH1 3.14Å; D432-R435 PolarHBondContact O-N 3.36Å; D432-R435 IonicContact OD1-NH1 3.78Å; D432-R435 VanDerWaalsContact OD2-CB 3.26Å; D432-R435 WeakPolarHBondContact OD2-CB 3.26Å; D432-R435 WeakPolarHBondContact OD2-CD 3.49Å; D432-R435 WeakPolarHBondContact OD2-CG 3.33Å; D432-R435 IonicContact OD2-CZ 2.86Å; D432-R435 IonicContact OD2-NE 3.6Å; D432-R435 IonicContact OD2-NH1 3.72Å; D432-R435 PolarHBondContact OD2-NH1 3.19Å; R433-R435 VanDerWaalsContact C-N 3.26Å; R433-R435 PolarHBondContact O-N 3.18Å; R435-N437 PolarHBondContact O-N 3.36Å; R435-N437 VanDerWaalsContact O-N 3.09Å; R435-F438 HydrophobicContact CB-CB 4.46Å; R435-F438 WeakPolarHBondContact O-CA 3.36Å; R435-F438 WeakPolarHBondContact O-CB 3.11Å; R435-F438 PolarHBondContact O-N 3.2Å; R435-Y439 HydrophobicContact CB-CD2 4.47Å; R435-Y439 HydrophobicContact CB-CE2 3.73Å; R435-Y439 VanDerWaalsContact O-CD2 3.32Å; R435-Y439 WeakPolarHBondContact O-CD2 3.43Å; R435-Y439 PolarHBondContact O-N 2.99Å
436M95Very high94.2Very high81 Ų8167 Ų6740%0.39930%0.3SS..Hα-helixtrans-47.3-44179.4-177-177.669.800113.2M429 D432 R433 F438 Y439 L440M429-M436 HydrophobicContact CB-CG 4.28Å; M429-M436 HydrophobicContact CE-CG 3.65Å; M429-M436 HydrophobicContact CE-SD 4.4Å; M429-M436 HydrophobicContact CG-CG 4.22Å; D432-M436 PolarHBondContact O-N 2.96Å; R433-M436 WeakPolarHBondContact O-CB 3.24Å; R433-M436 PolarHBondContact O-N 3.4Å; M436-F438 VanDerWaalsContact C-N 3.29Å; M436-F438 PolarHBondContact O-N 3.29Å; M436-Y439 PolarHBondContact O-N 2.89Å; M436-L440 WeakPolarHBondContact O-CB 3.43Å; M436-L440 PolarHBondContact O-N 3.48Å
437N92.2Very high93.8Very high108 Ų10866.7 Ų66.758%0.57830%0.298SS*.Hα-helixtrans-65.8-30.3-179.7-69-16.1000113.2R435 Y441R435-N437 PolarHBondContact O-N 3.36Å; R435-N437 VanDerWaalsContact O-N 3.09Å; N437-Y441 VanDerWaalsContact O-CB 3.24Å; N437-Y441 WeakPolarHBondContact O-CB 3.44Å; N437-Y441 PolarHBondContact O-N 2.9Å
438F93.1Very high93.2Very high103 Ų10364.1 Ų64.145%0.45229%0.287SS..Hα-helixtrans-68.7-48.4176167.1-95.7000110.8R435 M436 L440 Y441 W442R435-F438 HydrophobicContact CB-CB 4.46Å; R435-F438 WeakPolarHBondContact O-CA 3.36Å; R435-F438 WeakPolarHBondContact O-CB 3.11Å; R435-F438 PolarHBondContact O-N 3.2Å; M436-F438 VanDerWaalsContact C-N 3.29Å; M436-F438 PolarHBondContact O-N 3.29Å; F438-L440 VanDerWaalsContact C-N 3.34Å; F438-L440 PolarHBondContact O-N 3.41Å; F438-Y441 WeakPolarHBondContact O-CB 3.5Å; F438-Y441 PolarHBondContact O-N 3.5Å; F438-W442 HydrophobicContact CE1-CE3 4.09Å; F438-W442 HydrophobicContact CE1-CZ3 4.43Å; F438-W442 HydrophobicContact CZ-CE3 4.14Å; F438-W442 HydrophobicContact CZ-CZ3 4.45Å; F438-W442 PolarHBondContact O-N 3.06Å
439Y95.1Very high92.6Very high3 Ų364.8 Ų64.81%0.01229%0.29CS..Hα-helixtrans-64.5-41.3176.9-52.2-49.8000111.6V403 L425 A428 M429 D432 R435 M436 Y441 W442 K443V403-Y439 HydrophobicContact CG2-CD1 4.14Å; V403-Y439 HydrophobicContact CG2-CE1 3.39Å; L425-Y439 HydrophobicContact CD2-CD1 4.22Å; A428-Y439 HydrophobicContact CB-CD1 4.13Å; A428-Y439 HydrophobicContact CB-CD2 4.22Å; A428-Y439 HydrophobicContact CB-CE1 4.13Å; A428-Y439 HydrophobicContact CB-CE2 4.19Å; A428-Y439 HydrophobicContact CB-CG 4.2Å; A428-Y439 WeakPolarHBondContact O-CE2 3.45Å; M429-Y439 HydrophobicContact CB-CD2 4.35Å; M429-Y439 HydrophobicContact CG-CD2 3.75Å; M429-Y439 HydrophobicContact CG-CG 3.97Å; D432-Y439 HydrophobicContact CB-CE2 3.94Å; D432-Y439 PolarHBondContact OD2-OH 3.32Å; R435-Y439 HydrophobicContact CB-CD2 4.47Å; R435-Y439 HydrophobicContact CB-CE2 3.73Å; R435-Y439 VanDerWaalsContact O-CD2 3.32Å; R435-Y439 WeakPolarHBondContact O-CD2 3.43Å; R435-Y439 PolarHBondContact O-N 2.99Å; M436-Y439 PolarHBondContact O-N 2.89Å; Y439-Y441 VanDerWaalsContact C-N 3.34Å; Y439-Y441 PolarHBondContact O-N 3.02Å; Y439-W442 PolarHBondContact O-N 3Å; Y439-K443 WeakPolarHBondContact O-CB 3.32Å; Y439-K443 PolarHBondContact O-N 3Å
440L91.7Very high91.9Very high28 Ų2865.1 Ų65.115%0.14729%0.294CS..Hα-helixtrans-63.2-41.3177.4-172.755.4000111.4M429 M436 F438 W442 K443 N444 S473 F474M429-L440 HydrophobicContact CE-CB 3.99Å; M429-L440 HydrophobicContact CE-CD1 3.97Å; M429-L440 HydrophobicContact CE-CD2 4.39Å; M429-L440 HydrophobicContact CE-CG 4.36Å; M429-L440 HydrophobicContact SD-CB 4.12Å; M429-L440 HydrophobicContact SD-CD1 4.34Å; M436-L440 WeakPolarHBondContact O-CB 3.43Å; M436-L440 PolarHBondContact O-N 3.48Å; F438-L440 VanDerWaalsContact C-N 3.34Å; F438-L440 PolarHBondContact O-N 3.41Å; L440-W442 VanDerWaalsContact C-N 3.33Å; L440-W442 PolarHBondContact O-N 3.38Å; L440-K443 PolarHBondContact O-N 2.9Å; L440-N444 WeakPolarHBondContact CD1-ND2 3.34Å; L440-N444 WeakPolarHBondContact O-CB 3.47Å; L440-N444 PolarHBondContact O-N 3.08Å; L440-N444 PolarHBondContact O-ND2 3.24Å; L440-S473 WeakPolarHBondContact CD1-OG 3.44Å; L440-F474 HydrophobicContact CD2-CD2 3.98Å; L440-F474 HydrophobicContact CD2-CE2 3.56Å; L440-F474 HydrophobicContact CG-CD2 4.11Å; L440-F474 HydrophobicContact CG-CE2 4.19Å
441Y91.7Very high91.3Very high139 Ų13959.3 Ų59.355%0.54527%0.269SS..Hα-helixtrans-57.3-47.9172.7176.1-84000111N437 F438 Y439 N444 S445 T476N437-Y441 VanDerWaalsContact O-CB 3.24Å; N437-Y441 WeakPolarHBondContact O-CB 3.44Å; N437-Y441 PolarHBondContact O-N 2.9Å; F438-Y441 WeakPolarHBondContact O-CB 3.5Å; F438-Y441 PolarHBondContact O-N 3.5Å; Y439-Y441 VanDerWaalsContact C-N 3.34Å; Y439-Y441 PolarHBondContact O-N 3.02Å; Y441-N444 PolarHBondContact O-N 2.8Å; Y441-S445 PolarHBondContact O-N 3.35Å; Y441-T476 HydrophobicContact CD1-CG2 4.28Å; Y441-T476 HydrophobicContact CD2-CG2 3.34Å; Y441-T476 HydrophobicContact CE1-CG2 4.19Å; Y441-T476 HydrophobicContact CE2-CG2 3.26Å; Y441-T476 HydrophobicContact CG-CG2 3.86Å
442W91.4Very high90.5Very high32 Ų3257.2 Ų57.212%0.12126%0.258CS..Hα-helixtrans-64.7-45-179.3-161.1-3.8000112.1V403 V406 M407 D410 L425 F438 Y439 L440 N444 S445 L446V403-W442 HydrophobicContact CG1-CZ3 4.3Å; V406-W442 HydrophobicContact CB-CH2 3.92Å; V406-W442 HydrophobicContact CB-CZ2 4.39Å; V406-W442 HydrophobicContact CB-CZ3 4.24Å; V406-W442 HydrophobicContact CG1-CD2 4.21Å; V406-W442 HydrophobicContact CG1-CE3 4.23Å; V406-W442 HydrophobicContact CG1-CH2 3.45Å; V406-W442 VanDerWaalsContact CG1-CH2 3.45Å; V406-W442 HydrophobicContact CG1-CZ2 3.49Å; V406-W442 VanDerWaalsContact CG1-CZ2 3.49Å; V406-W442 HydrophobicContact CG1-CZ3 3.86Å; M407-W442 HydrophobicContact CB-CH2 4.33Å; M407-W442 HydrophobicContact CE-CH2 4.45Å; M407-W442 HydrophobicContact CE-CZ3 4.46Å; M407-W442 HydrophobicContact CG-CH2 3.49Å; M407-W442 VanDerWaalsContact CG-CH2 3.49Å; M407-W442 HydrophobicContact CG-CZ2 4.4Å; M407-W442 HydrophobicContact CG-CZ3 4.24Å; D410-W442 HydrophobicContact CB-CZ2 4.28Å; L425-W442 HydrophobicContact CD1-CB 4.15Å; L425-W442 HydrophobicContact CD1-CD2 4.44Å; L425-W442 HydrophobicContact CD1-CG 4.15Å; L425-W442 HydrophobicContact CD2-CB 4.28Å; L425-W442 HydrophobicContact CD2-CD2 4.12Å; L425-W442 HydrophobicContact CD2-CE3 3.68Å; L425-W442 HydrophobicContact CD2-CG 4.4Å; L425-W442 HydrophobicContact CD2-CZ3 4.31Å; F438-W442 HydrophobicContact CE1-CE3 4.09Å; F438-W442 HydrophobicContact CE1-CZ3 4.43Å; F438-W442 HydrophobicContact CZ-CE3 4.14Å; F438-W442 HydrophobicContact CZ-CZ3 4.45Å; F438-W442 PolarHBondContact O-N 3.06Å; Y439-W442 PolarHBondContact O-N 3Å; L440-W442 VanDerWaalsContact C-N 3.33Å; L440-W442 PolarHBondContact O-N 3.38Å; W442-N444 PolarHBondContact O-N 3.33Å; W442-S445 WeakPolarHBondContact O-CB 3.43Å; W442-S445 PolarHBondContact O-N 2.91Å; W442-S445 VanDerWaalsContact O-N 3.15Å; W442-L446 PolarHBondContact O-N 3.48Å
443K93Very high89.7Confident40 Ų4061.9 Ų61.917%0.17427%0.274CS..Hα-helixtrans-58.1-47.5175173.2172.8169.6169.20111.6V422 L425 D426 Y439 L440 S445 L446 L447V422-K443 HydrophobicContact CG1-CD 4.02Å; V422-K443 HydrophobicContact CG1-CG 4.35Å; V422-K443 HydrophobicContact CG2-CG 4.42Å; L425-K443 HydrophobicContact CB-CB 4.43Å; L425-K443 HydrophobicContact CD1-CB 4Å; D426-K443 WeakPolarHBondContact OD1-CD 3.3Å; D426-K443 IonicContact OD1-NZ 3.13Å; D426-K443 PolarHBondContact OD1-NZ 3.25Å; D426-K443 IonicContact OD2-NZ 2.89Å; D426-K443 PolarHBondContact OD2-NZ 2.93Å; Y439-K443 WeakPolarHBondContact O-CB 3.32Å; Y439-K443 PolarHBondContact O-N 3Å; L440-K443 PolarHBondContact O-N 2.9Å; K443-S445 VanDerWaalsContact C-N 3.32Å; K443-S445 PolarHBondContact O-N 3.2Å; K443-L446 PolarHBondContact O-N 2.99Å; K443-L447 HydrophobicContact CG-CD1 4.02Å; K443-L447 HydrophobicContact CG-CG 4.43Å; K443-L447 WeakPolarHBondContact O-CG 3.48Å; K443-L447 PolarHBondContact O-N 3.18Å
444N91Very high89Confident2 Ų257 Ų571%0.01126%0.264CS..Hα-helixtrans-61.7-41176.8-80.8-93.3000111.2L440 Y441 W442 L446 L447 F448 L472 S473 F474 T476L440-N444 WeakPolarHBondContact CD1-ND2 3.34Å; L440-N444 WeakPolarHBondContact O-CB 3.47Å; L440-N444 PolarHBondContact O-N 3.08Å; L440-N444 PolarHBondContact O-ND2 3.24Å; Y441-N444 PolarHBondContact O-N 2.8Å; W442-N444 PolarHBondContact O-N 3.33Å; N444-L446 VanDerWaalsContact C-N 3.34Å; N444-L446 PolarHBondContact O-N 2.53Å; N444-L447 PolarHBondContact O-N 3.24Å; N444-F448 WeakPolarHBondContact O-CB 3.49Å; N444-F448 PolarHBondContact O-N 2.71Å; N444-L472 HydrophobicContact CB-CD2 4.48Å; N444-L472 WeakPolarHBondContact OD1-CA 3.47Å; N444-S473 PolarHBondContact ND2-OG 2.79Å; N444-S473 VanDerWaalsContact ND2-OG 3.15Å; N444-S473 PolarHBondContact OD1-N 2.83Å; N444-F474 PolarHBondContact OD1-N 3.2Å; N444-F474 PolarHBondContact OD1-O 3.09Å; N444-T476 HydrophobicContact CB-CG2 4.41Å
445S88.7Confident88.2Confident26 Ų2648.3 Ų48.318%0.18223%0.226CC..Hα-helixtrans-61.3-40.5175.5-178.80000112.6R414 Y441 W442 K443 D449 T476R414-S445 PolarHBondContact NH2-O 3.46Å; R414-S445 PolarHBondContact NH2-OG 3.47Å; Y441-S445 PolarHBondContact O-N 3.35Å; W442-S445 WeakPolarHBondContact O-CB 3.43Å; W442-S445 PolarHBondContact O-N 2.91Å; W442-S445 VanDerWaalsContact O-N 3.15Å; K443-S445 VanDerWaalsContact C-N 3.32Å; K443-S445 PolarHBondContact O-N 3.2Å; S445-D449 VanDerWaalsContact O-CB 3.31Å; S445-D449 WeakPolarHBondContact O-CB 3.49Å; S445-D449 PolarHBondContact O-N 3.02Å; S445-T476 WeakPolarHBondContact CA-OG1 3.19Å; S445-T476 PolarHBondContact N-OG1 2.91Å; S445-T476 VanDerWaalsContact N-OG1 3.07Å
446L89Confident87.3Confident1 Ų146.3 Ų46.31%0.00522%0.222CC..Hα-helixtrans-65.4-50.8175.6-177.563.9000112R414 A418 M421 V422 W442 K443 N444 F448 D449 T450R414-L446 HydrophobicContact CG-CD1 3.83Å; A418-L446 HydrophobicContact CB-CD1 4.08Å; A418-L446 HydrophobicContact CB-CD2 4.44Å; A418-L446 HydrophobicContact CB-CG 4.36Å; A418-L446 WeakPolarHBondContact O-CD2 3.25Å; M421-L446 HydrophobicContact CB-CD2 3.51Å; M421-L446 HydrophobicContact CE-CD1 4.36Å; M421-L446 HydrophobicContact CE-CD2 4.29Å; M421-L446 HydrophobicContact CG-CD2 4.45Å; M421-L446 HydrophobicContact SD-CD1 4.24Å; M421-L446 HydrophobicContact SD-CD2 4.18Å; V422-L446 HydrophobicContact CG2-CD2 3.76Å; W442-L446 PolarHBondContact O-N 3.48Å; K443-L446 PolarHBondContact O-N 2.99Å; N444-L446 VanDerWaalsContact C-N 3.34Å; N444-L446 PolarHBondContact O-N 2.53Å; L446-F448 VanDerWaalsContact C-N 3.26Å; L446-F448 PolarHBondContact O-N 3.43Å; L446-D449 PolarHBondContact O-N 2.87Å; L446-T450 WeakPolarHBondContact O-CB 3.34Å; L446-T450 PolarHBondContact O-N 3Å; L446-T450 PolarHBondContact O-OG1 3.06Å; L446-T450 VanDerWaalsContact O-OG1 3.08Å
447L88Confident86.6Confident45 Ų4545.7 Ų45.724%0.23623%0.23CC..Hα-helixtrans-59.3-39.2178.5-68.7173.7000112.2V422 K443 N444 S451 L472V422-L447 HydrophobicContact CG2-CD2 4.12Å; V422-L447 HydrophobicContact CG2-CG 4.49Å; K443-L447 HydrophobicContact CG-CD1 4.02Å; K443-L447 HydrophobicContact CG-CG 4.43Å; K443-L447 WeakPolarHBondContact O-CG 3.48Å; K443-L447 PolarHBondContact O-N 3.18Å; N444-L447 PolarHBondContact O-N 3.24Å; L447-S451 VanDerWaalsContact O-CB 3.24Å; L447-S451 WeakPolarHBondContact O-CB 3.39Å; L447-S451 PolarHBondContact O-N 2.86Å; L447-S451 VanDerWaalsContact O-N 3.13Å; L447-S451 PolarHBondContact O-OG 3.34Å; L447-L472 HydrophobicContact CB-CD2 4.05Å; L447-L472 HydrophobicContact CD1-CD2 4.5Å
448F85.6Confident86.1Confident5 Ų545.9 Ų45.92%0.02224%0.235CC..Hα-helixtrans-63-54175.1-172.3-79.9000111.2N444 L446 S451 L452 L467 I481N444-F448 WeakPolarHBondContact O-CB 3.49Å; N444-F448 PolarHBondContact O-N 2.71Å; L446-F448 VanDerWaalsContact C-N 3.26Å; L446-F448 PolarHBondContact O-N 3.43Å; F448-S451 PolarHBondContact O-N 3.37Å; F448-L452 HydrophobicContact CE1-CD2 4.21Å; F448-L452 VanDerWaalsContact O-CB 3.29Å; F448-L452 WeakPolarHBondContact O-CB 3.44Å; F448-L452 PolarHBondContact O-N 3.1Å; F448-L467 HydrophobicContact CD2-CD1 3.38Å; F448-L467 HydrophobicContact CE1-CD1 4.45Å; F448-L467 HydrophobicContact CE2-CD1 3.05Å; F448-L467 HydrophobicContact CG-CD1 4.21Å; F448-L467 HydrophobicContact CZ-CD1 3.64Å; F448-I481 HydrophobicContact CE1-CD1 4.11Å; F448-I481 HydrophobicContact CE1-CG1 4.36Å; F448-I481 HydrophobicContact CE1-CG2 4.47Å; F448-I481 HydrophobicContact CZ-CD1 3.52Å; F448-I481 HydrophobicContact CZ-CG1 4.24Å
449D83.3Confident85.6Confident14 Ų1444 Ų448%0.07523%0.23CC..Hα-helixtrans-61.6-47.3-177.4-173.547.5000112R414 S445 L446 S451 L452 R453R414-D449 IonicContact CZ-OD2 2.85Å; R414-D449 IonicContact NE-OD2 2.68Å; R414-D449 IonicContact NH1-OD2 3.44Å; S445-D449 VanDerWaalsContact O-CB 3.31Å; S445-D449 WeakPolarHBondContact O-CB 3.49Å; S445-D449 PolarHBondContact O-N 3.02Å; L446-D449 PolarHBondContact O-N 2.87Å; D449-S451 VanDerWaalsContact C-N 3.34Å; D449-S451 PolarHBondContact O-N 3.4Å; D449-L452 PolarHBondContact O-N 3.4Å; D449-R453 VanDerWaalsContact CG-NE 3.3Å; D449-R453 WeakPolarHBondContact O-CG 3.36Å; D449-R453 PolarHBondContact O-N 3.11Å; D449-R453 IonicContact OD1-CZ 3.36Å; D449-R453 IonicContact OD1-NE 3.31Å; D449-R453 PolarHBondContact OD1-NE 2.97Å; D449-R453 VanDerWaalsContact OD1-NE 3.13Å; D449-R453 IonicContact OD1-NH2 3.87Å; D449-R453 PolarHBondContact OD1-NH2 3.48Å; D449-R453 IonicContact OD2-CZ 3.01Å; D449-R453 VanDerWaalsContact OD2-CZ 3.31Å; D449-R453 IonicContact OD2-NE 3.84Å; D449-R453 PolarHBondContact OD2-NE 3.46Å; D449-R453 IonicContact OD2-NH2 2.79Å; D449-R453 PolarHBondContact OD2-NH2 3.03Å
450T84Confident84.4Confident37 Ų3753.2 Ų53.223%0.22726%0.264CS..Hα-helixtrans-59.1-44.9176.2-57.10000111.5L446 N454L446-T450 WeakPolarHBondContact O-CB 3.34Å; L446-T450 PolarHBondContact O-N 3Å; L446-T450 PolarHBondContact O-OG1 3.06Å; L446-T450 VanDerWaalsContact O-OG1 3.08Å; T450-N454 WeakPolarHBondContact O-CB 3.44Å; T450-N454 PolarHBondContact O-N 3.38Å; T450-N454 PolarHBondContact O-ND2 3.3Å
451S82.3Confident83.8Confident18 Ų1859.4 Ų59.413%0.12630%0.298CS..Hα-helixtrans-66.7-41.5179.9-620000112L447 F448 D449 H455L447-S451 VanDerWaalsContact O-CB 3.24Å; L447-S451 WeakPolarHBondContact O-CB 3.39Å; L447-S451 PolarHBondContact O-N 2.86Å; L447-S451 VanDerWaalsContact O-N 3.13Å; L447-S451 PolarHBondContact O-OG 3.34Å; F448-S451 PolarHBondContact O-N 3.37Å; D449-S451 VanDerWaalsContact C-N 3.34Å; D449-S451 PolarHBondContact O-N 3.4Å; S451-H455 WeakPolarHBondContact O-CB 3.43Å; S451-H455 PolarHBondContact O-N 3.36Å
452L80.6Confident83.4Confident8 Ų855.7 Ų55.74%0.04229%0.289CS..Hα-helixtrans-60.6-50.5175.8172.665000111.6F448 D449 N454 H455 L456 I465 I481F448-L452 HydrophobicContact CE1-CD2 4.21Å; F448-L452 VanDerWaalsContact O-CB 3.29Å; F448-L452 WeakPolarHBondContact O-CB 3.44Å; F448-L452 PolarHBondContact O-N 3.1Å; D449-L452 PolarHBondContact O-N 3.4Å; L452-N454 PolarHBondContact O-N 2.84Å; L452-H455 WeakPolarHBondContact O-CB 3.45Å; L452-H455 PolarHBondContact O-N 3.39Å; L452-L456 HydrophobicContact CD1-CD1 3.95Å; L452-L456 HydrophobicContact CD1-CG 4.12Å; L452-L456 HydrophobicContact CG-CD1 4.07Å; L452-L456 WeakPolarHBondContact O-CG 3.46Å; L452-L456 PolarHBondContact O-N 3.49Å; L452-I465 HydrophobicContact CD1-CD1 3.22Å; L452-I465 HydrophobicContact CD1-CG2 3.97Å; L452-I481 HydrophobicContact CD1-CG2 3.6Å; L452-I481 HydrophobicContact CD2-CG2 3.22Å; L452-I481 HydrophobicContact CG-CG2 4.04Å
453R79.6Confident83.1Confident113 Ų11355.7 Ų55.743%0.42629%0.294SS..Hα-helixtrans-60.9-46179.5-71.7179.5-162.1-116.35.9111.6D449 H455 L456 A457D449-R453 VanDerWaalsContact CG-NE 3.3Å; D449-R453 WeakPolarHBondContact O-CG 3.36Å; D449-R453 PolarHBondContact O-N 3.11Å; D449-R453 IonicContact OD1-CZ 3.36Å; D449-R453 IonicContact OD1-NE 3.31Å; D449-R453 PolarHBondContact OD1-NE 2.97Å; D449-R453 VanDerWaalsContact OD1-NE 3.13Å; D449-R453 IonicContact OD1-NH2 3.87Å; D449-R453 PolarHBondContact OD1-NH2 3.48Å; D449-R453 IonicContact OD2-CZ 3.01Å; D449-R453 VanDerWaalsContact OD2-CZ 3.31Å; D449-R453 IonicContact OD2-NE 3.84Å; D449-R453 PolarHBondContact OD2-NE 3.46Å; D449-R453 IonicContact OD2-NH2 2.79Å; D449-R453 PolarHBondContact OD2-NH2 3.03Å; R453-H455 VanDerWaalsContact C-N 3.26Å; R453-H455 PolarHBondContact O-N 3.48Å; R453-L456 PolarHBondContact O-N 2.82Å; R453-A457 VanDerWaalsContact O-CB 3.31Å; R453-A457 WeakPolarHBondContact O-CB 3.43Å; R453-A457 PolarHBondContact O-N 2.95Å
454N82.8Confident82.8Confident98 Ų9855.5 Ų55.552%0.52430%0.296SS..Hα-helixtrans-58.4-42.2175.8-73-17.3000111.2T450 L452 A457 V458T450-N454 WeakPolarHBondContact O-CB 3.44Å; T450-N454 PolarHBondContact O-N 3.38Å; T450-N454 PolarHBondContact O-ND2 3.3Å; L452-N454 PolarHBondContact O-N 2.84Å; N454-A457 PolarHBondContact O-N 3.21Å; N454-V458 WeakPolarHBondContact O-CB 3.38Å; N454-V458 VanDerWaalsContact O-CG2 3.3Å; N454-V458 WeakPolarHBondContact O-CG2 3.29Å; N454-V458 PolarHBondContact O-N 3.02Å; N454-V458 VanDerWaalsContact O-N 3.11Å
455H79.5Confident82.7Confident16 Ų1655.4 Ų55.47%0.07430%0.295CS..Hα-helixtrans-62.1-50.4175.9-176.584.8000111.9S451 L452 R453 A457 V458 N459 T464S451-H455 WeakPolarHBondContact O-CB 3.43Å; S451-H455 PolarHBondContact O-N 3.36Å; L452-H455 WeakPolarHBondContact O-CB 3.45Å; L452-H455 PolarHBondContact O-N 3.39Å; R453-H455 VanDerWaalsContact C-N 3.26Å; R453-H455 PolarHBondContact O-N 3.48Å; H455-A457 VanDerWaalsContact C-N 3.26Å; H455-A457 PolarHBondContact O-N 2.89Å; H455-V458 PolarHBondContact O-N 2.92Å; H455-N459 PolarHBondContact ND1-ND2 3.11Å; H455-N459 WeakPolarHBondContact O-CA 3.34Å; H455-N459 WeakPolarHBondContact O-CB 3.4Å; H455-N459 PolarHBondContact O-N 2.97Å; H455-T464 PolarHBondContact CE1-O 3Å; H455-T464 PolarHBondContact NE2-O 2.97Å
456L76Confident82.7Confident55 Ų5557.5 Ų57.529%0.28830%0.304SS..Hα-helixtrans-66-26.5179.4-66.7176.1000113.1L452 R453 R460 I465L452-L456 HydrophobicContact CD1-CD1 3.95Å; L452-L456 HydrophobicContact CD1-CG 4.12Å; L452-L456 HydrophobicContact CG-CD1 4.07Å; L452-L456 WeakPolarHBondContact O-CG 3.46Å; L452-L456 PolarHBondContact O-N 3.49Å; R453-L456 PolarHBondContact O-N 2.82Å; L456-R460 WeakPolarHBondContact O-CG 3.25Å; L456-I465 HydrophobicContact CD2-CD1 4.13Å
457A80.3Confident82.8Confident69 Ų6957.4 Ų57.457%0.5730%0.304SS*.Hα-helixtrans-74.3-37.1175.100000112.3R453 N454 H455R453-A457 VanDerWaalsContact O-CB 3.31Å; R453-A457 WeakPolarHBondContact O-CB 3.43Å; R453-A457 PolarHBondContact O-N 2.95Å; N454-A457 PolarHBondContact O-N 3.21Å; H455-A457 VanDerWaalsContact C-N 3.26Å; H455-A457 PolarHBondContact O-N 2.89Å
458V82.4Confident83Confident112 Ų11256.7 Ų56.768%0.67930%0.303SS*.Hα-helixtrans-98.5-32.2-171.3179.30000113N454 H455N454-V458 WeakPolarHBondContact O-CB 3.38Å; N454-V458 VanDerWaalsContact O-CG2 3.3Å; N454-V458 WeakPolarHBondContact O-CG2 3.29Å; N454-V458 PolarHBondContact O-N 3.02Å; N454-V458 VanDerWaalsContact O-N 3.11Å; H455-V458 PolarHBondContact O-N 2.92Å
459N80.7Confident83.4Confident63 Ų6360.9 Ų60.934%0.33733%0.333SS..  trans-126.546.9-167.5-57-63.1000112.7H455 D461 V462H455-N459 PolarHBondContact ND1-ND2 3.11Å; H455-N459 WeakPolarHBondContact O-CA 3.34Å; H455-N459 WeakPolarHBondContact O-CB 3.4Å; H455-N459 PolarHBondContact O-N 2.97Å; N459-D461 PolarHBondContact O-N 3.06Å; N459-V462 HydrophobicContact CB-CB 3.94Å; N459-V462 HydrophobicContact CB-CG2 3.87Å; N459-V462 PolarHBondContact O-N 3.06Å
460R71.8Confident83.7Confident196 Ų19664.7 Ų64.774%0.7435%0.348SS*.THydrogen-bonded Turntrans-53.4-30.5-175.1-72.7-175.3-178.7-170.60.9114.7L456L456-R460 WeakPolarHBondContact O-CG 3.25Å
461D77.2Confident84Confident158 Ų15865.6 Ų65.685%0.84537%0.366SS*.THydrogen-bonded Turntrans-93.8-1.5-177-55.9-43000113.5N459 P463N459-D461 PolarHBondContact O-N 3.06Å; D461-P463 WeakPolarHBondContact O-CD 3.39Å
462V83.2Confident84.4Confident61 Ų6164.8 Ų64.837%0.3736%0.36SS..  trans-95.5118.2-179.5-178.10000109.3N459 T464N459-V462 HydrophobicContact CB-CB 3.94Å; N459-V462 HydrophobicContact CB-CG2 3.87Å; N459-V462 PolarHBondContact O-N 3.06Å; V462-T464 PolarHBondContact O-N 3.07Å
463P85.3Confident84.9Confident33 Ų3365.6 Ų65.621%0.21437%0.366CS..  trans-66.3-23.2-179.9-24.635.8000114.3F354 D355 D461 Q486F354-P463 HydrophobicContact CE1-CB 4.4Å; F354-P463 VanDerWaalsContact CZ-CA 3.48Å; F354-P463 HydrophobicContact CZ-CB 4.47Å; F354-P463 WeakPolarHBondContact CZ-O 3.48Å; D355-P463 HydrophobicContact CB-CB 4.09Å; D355-P463 HydrophobicContact CB-CG 4.14Å; D461-P463 WeakPolarHBondContact O-CD 3.39Å; P463-Q486 HydrophobicContact CB-CG 4.25Å
464T88.4Confident85.2Confident35 Ų3564.8 Ų64.822%0.21537%0.366CS..EExtended strand (participates in β ladder)trans-85.8112.6-174.9-38.60000112.4H455 V462 D466 Q486 N488H455-T464 PolarHBondContact CE1-O 3Å; H455-T464 PolarHBondContact NE2-O 2.97Å; V462-T464 PolarHBondContact O-N 3.07Å; T464-D466 PolarHBondContact O-N 3.38Å; T464-Q486 WeakPolarHBondContact CA-O 3.38Å; T464-Q486 HydrophobicContact CG2-CB 4.17Å; T464-Q486 PolarHBondContact OG1-OE1 3.2Å; T464-N488 HydrophobicContact CG2-CB 4.39Å
465I88.1Confident85.3Confident0 Ų060.6 Ų60.60%034%0.343CS..EExtended strand (participates in β ladder)trans-83.3117.7169.1-56.8-146.2000109.8L452 L456 L467 L484 Q486 L487 N488L452-I465 HydrophobicContact CD1-CD1 3.22Å; L452-I465 HydrophobicContact CD1-CG2 3.97Å; L456-I465 HydrophobicContact CD2-CD1 4.13Å; I465-L467 HydrophobicContact CG2-CD2 4.43Å; I465-L467 HydrophobicContact CG2-CG 4.16Å; I465-L484 HydrophobicContact CB-CD1 4.01Å; I465-L484 HydrophobicContact CD1-CD1 3.63Å; I465-L484 HydrophobicContact CD1-CD2 3.21Å; I465-L484 HydrophobicContact CD1-CG 4.02Å; I465-L484 HydrophobicContact CG1-CD1 3.78Å; I465-L484 HydrophobicContact CG1-CD2 3.61Å; I465-L484 HydrophobicContact CG1-CG 4.29Å; I465-Q486 PolarHBondContact N-O 2.78Å; I465-L487 HydrophobicContact CB-CD1 4.41Å; I465-N488 PolarHBondContact O-N 3.17Å
466D89.3Confident85.2Confident70 Ų7060.1 Ų60.137%0.37434%0.342SS..EExtended strand (participates in β ladder)trans-99.3106-177-165.4-1.1000112.5T464 S468 N488T464-D466 PolarHBondContact O-N 3.38Å; D466-S468 WeakPolarHBondContact OD1-CB 3.34Å; D466-S468 PolarHBondContact OD1-N 3.37Å; D466-S468 PolarHBondContact OD1-OG 2.98Å; D466-S468 PolarHBondContact OD2-OG 3.19Å; D466-N488 PolarHBondContact OD1-ND2 2.86Å; D466-N488 VanDerWaalsContact OD1-ND2 3.1Å
467L90Very high84.8Confident0 Ų059 Ų590%034%0.335CS..  trans-114.224.5173.8-57.7178.5000111.3F448 I465 K470 L472 L487 N488 I489 N492F448-L467 HydrophobicContact CD2-CD1 3.38Å; F448-L467 HydrophobicContact CE1-CD1 4.45Å; F448-L467 HydrophobicContact CE2-CD1 3.05Å; F448-L467 HydrophobicContact CG-CD1 4.21Å; F448-L467 HydrophobicContact CZ-CD1 3.64Å; I465-L467 HydrophobicContact CG2-CD2 4.43Å; I465-L467 HydrophobicContact CG2-CG 4.16Å; L467-K470 WeakPolarHBondContact O-CG 3.49Å; L467-L472 HydrophobicContact CB-CD1 4.5Å; L467-L487 HydrophobicContact CD1-CD1 4.05Å; L467-L487 HydrophobicContact CG-CD1 4.46Å; L467-N488 CarbonylContact C-O 3.55Å; L467-N488 VanDerWaalsContact C-O 3.3Å; L467-N488 VanDerWaalsContact CA-O 3.29Å; L467-N488 WeakPolarHBondContact CA-O 3.37Å; L467-N488 WeakPolarHBondContact CB-O 3.39Å; L467-N488 PolarHBondContact N-O 3.34Å; L467-I489 HydrophobicContact CB-CG2 4.11Å; L467-I489 HydrophobicContact CD1-CG2 4.43Å; L467-N492 PolarHBondContact O-ND2 2.88Å
468S93.3Very high84.2Confident30 Ų3057.9 Ų57.921%0.2132%0.323CS..THydrogen-bonded Turntrans-66.9145.4175.361.70000112D466 K470 N488 S490D466-S468 WeakPolarHBondContact OD1-CB 3.34Å; D466-S468 PolarHBondContact OD1-N 3.37Å; D466-S468 PolarHBondContact OD1-OG 2.98Å; D466-S468 PolarHBondContact OD2-OG 3.19Å; S468-K470 VanDerWaalsContact C-N 3.27Å; S468-K470 PolarHBondContact O-N 3.31Å; S468-N488 PolarHBondContact N-O 2.8Å; S468-S490 CarbonylContact C-O 3.33Å; S468-S490 WeakPolarHBondContact CA-O 3.4Å; S468-S490 WeakPolarHBondContact CB-O 3.3Å
469S93.8Very high83.3Confident93 Ų9353.4 Ų53.465%0.6530%0.297SS*.THydrogen-bonded Turntrans5339.6174.6-59.70000114.6S490 G491S469-S490 PolarHBondContact N-O 3.25Å; S469-G491 WeakPolarHBondContact CA-O 3.46Å
470K89.5Confident82.5Confident93 Ų9352.6 Ų52.640%0.40429%0.292SS..SBendtrans-95.54.3176.5-59.9-56-179.8-177.50113.6L467 S468 L472 N492L467-K470 WeakPolarHBondContact O-CG 3.49Å; S468-K470 VanDerWaalsContact C-N 3.27Å; S468-K470 PolarHBondContact O-N 3.31Å; K470-L472 VanDerWaalsContact C-N 3.28Å; K470-L472 HydrophobicContact CB-CD1 4.39Å; K470-L472 HydrophobicContact CB-CD2 4.31Å; K470-L472 HydrophobicContact CB-CG 3.97Å; K470-L472 PolarHBondContact O-N 3.06Å; K470-N492 PolarHBondContact N-OD1 3.13Å
471G89.3Confident82.7Confident57 Ų5743.3 Ų43.359%0.58826%0.257SS*.  trans70.523.4-179.300000113.6N492G471-N492 PolarHBondContact N-OD1 3.11Å
472L91.3Very high82.8Confident1 Ų136 Ų361%0.00522%0.219CC..  trans-70.5136-177.1-55.9174.9000111.1N444 L447 L467 K470 L475 N492 S493 L494N444-L472 HydrophobicContact CB-CD2 4.48Å; N444-L472 WeakPolarHBondContact OD1-CA 3.47Å; L447-L472 HydrophobicContact CB-CD2 4.05Å; L447-L472 HydrophobicContact CD1-CD2 4.5Å; L467-L472 HydrophobicContact CB-CD1 4.5Å; K470-L472 VanDerWaalsContact C-N 3.28Å; K470-L472 HydrophobicContact CB-CD1 4.39Å; K470-L472 HydrophobicContact CB-CD2 4.31Å; K470-L472 HydrophobicContact CB-CG 3.97Å; K470-L472 PolarHBondContact O-N 3.06Å; L472-L475 HydrophobicContact CD1-CD2 4.44Å; L472-N492 HydrophobicContact CB-CB 4.1Å; L472-N492 PolarHBondContact N-OD1 3.4Å; L472-S493 CarbonylContact O-C 3.44Å; L472-S493 WeakPolarHBondContact O-CA 3.31Å; L472-S493 PolarHBondContact O-N 3.29Å; L472-L494 HydrophobicContact CB-CD2 3.92Å
473S90.4Very high82.9Confident24 Ų2433.3 Ų33.317%0.16820%0.203CC..SBendtrans-112.1-20.6174.8540000112.8L440 N444L440-S473 WeakPolarHBondContact CD1-OG 3.44Å; N444-S473 PolarHBondContact ND2-OG 2.79Å; N444-S473 VanDerWaalsContact ND2-OG 3.15Å; N444-S473 PolarHBondContact OD1-N 2.83Å
474F86.2Confident83.1Confident96 Ų9631.8 Ų31.842%0.42119%0.192SC..SBendtrans-138.6145.5173.2-63.5-89.2000109.5L440 N444L440-F474 HydrophobicContact CD2-CD2 3.98Å; L440-F474 HydrophobicContact CD2-CE2 3.56Å; L440-F474 HydrophobicContact CG-CD2 4.11Å; L440-F474 HydrophobicContact CG-CE2 4.19Å; N444-F474 PolarHBondContact OD1-N 3.2Å; N444-F474 PolarHBondContact OD1-O 3.09Å
475L84.8Confident83.3Confident11 Ų1130.1 Ų30.16%0.05818%0.182CC..  trans-86.2116.7168.5-69178.2000109.5L472 I477 I489 L494 I497 P499 L500L472-L475 HydrophobicContact CD1-CD2 4.44Å; L475-I477 HydrophobicContact CB-CG1 4.41Å; L475-I489 HydrophobicContact CD1-CD1 3.9Å; L475-I489 HydrophobicContact CD2-CD1 4.46Å; L475-I489 HydrophobicContact CD2-CG2 4.14Å; L475-L494 HydrophobicContact CD1-CD1 4.18Å; L475-L494 HydrophobicContact CD2-CD1 3.67Å; L475-L494 HydrophobicContact CD2-CD2 4.04Å; L475-L494 HydrophobicContact CG-CD1 3.8Å; L475-L494 HydrophobicContact CG-CD2 3.89Å; L475-L494 HydrophobicContact CG-CG 4.46Å; L475-I497 HydrophobicContact CD1-CG2 4.27Å; L475-P499 HydrophobicContact CB-CB 4.06Å; L475-P499 HydrophobicContact CB-CG 4.05Å; L475-P499 WeakPolarHBondContact O-CG 3.45Å; L475-L500 HydrophobicContact CD1-CD2 3.69Å; L475-L500 HydrophobicContact CD1-CG 3.95Å
476T77.1Confident83.6Confident6 Ų631.7 Ų31.74%0.03719%0.189CC..  trans-105.375.9169.845.20000107.8Y441 N444 S445 C478Y441-T476 HydrophobicContact CD1-CG2 4.28Å; Y441-T476 HydrophobicContact CD2-CG2 3.34Å; Y441-T476 HydrophobicContact CE1-CG2 4.19Å; Y441-T476 HydrophobicContact CE2-CG2 3.26Å; Y441-T476 HydrophobicContact CG-CG2 3.86Å; N444-T476 HydrophobicContact CB-CG2 4.41Å; S445-T476 WeakPolarHBondContact CA-OG1 3.19Å; S445-T476 PolarHBondContact N-OG1 2.91Å; S445-T476 VanDerWaalsContact N-OG1 3.07Å; T476-C478 PolarHBondContact O-N 3.23Å
477I68.1Low83.9Confident31 Ų3128.4 Ų28.416%0.15917%0.172CC..  trans-67.4108.7179.2-64.6-179.6000107.9L475 I481 P499 L500 L503L475-I477 HydrophobicContact CB-CG1 4.41Å; I477-I481 HydrophobicContact CG2-CD1 3.95Å; I477-I481 HydrophobicContact CG2-CG1 3.81Å; I477-P499 HydrophobicContact CB-CB 4.5Å; I477-P499 HydrophobicContact CD1-CB 3.95Å; I477-P499 WeakPolarHBondContact CD1-O 3.5Å; I477-P499 HydrophobicContact CG1-CB 4.09Å; I477-L500 HydrophobicContact CD1-CB 4.42Å; I477-L500 HydrophobicContact CD1-CD2 3.58Å; I477-L500 HydrophobicContact CD1-CG 4.33Å; I477-L503 HydrophobicContact CD1-CD1 4.07Å; I477-L503 HydrophobicContact CD1-CD2 4.32Å; I477-L503 HydrophobicContact CD1-CG 3.98Å; I477-L503 HydrophobicContact CG2-CD2 3.82Å
478C67.5Low84.1Confident45 Ų4529.5 Ų29.530%0.30418%0.178SC..  trans-64.1136.5161.4-164.80000106.9T476 D480 I481T476-C478 PolarHBondContact O-N 3.23Å; C478-D480 HydrophobicContact CB-CB 3.99Å; C478-D480 PolarHBondContact O-N 3.12Å; C478-D480 PolarHBondContact SG-OD2 2.83Å; C478-I481 VanDerWaalsContact O-CG1 3.31Å; C478-I481 WeakPolarHBondContact O-CG1 3.4Å; C478-I481 PolarHBondContact O-N 3.02Å
479S63.4Low84.2Confident19 Ų1928 Ų2813%0.13317%0.168CC..G310 helixtrans-58.8-4.6170.954.10000112.6R267 C280 I481 G482R267-S479 PolarHBondContact NH1-O 3.46Å; C280-S479 WeakPolarHBondContact SG-CB 3.42Å; C280-S479 PolarHBondContact SG-OG 3.38Å; S479-I481 PolarHBondContact O-N 3.16Å; S479-G482 PolarHBondContact O-N 3.34Å
480D63.9Low84.4Confident46 Ų4624.3 Ų24.325%0.24614%0.142CC..G310 helixtrans-53.7-22.2168.1-70.2-30.1000118.5R267 H361 C478 F483R267-D480 VanDerWaalsContact CZ-C 3.5Å; R267-D480 IonicContact CZ-OD1 3.53Å; R267-D480 PolarHBondContact NE-O 3.27Å; R267-D480 IonicContact NH1-OD1 3.22Å; R267-D480 PolarHBondContact NH1-OD1 3.08Å; R267-D480 VanDerWaalsContact NH2-CA 3.31Å; R267-D480 PolarHBondContact NH2-O 3.06Å; R267-D480 IonicContact NH2-OD1 2.82Å; R267-D480 PolarHBondContact NH2-OD1 3.49Å; H361-D480 IonicContact NE2-OD1 3.91Å; C478-D480 HydrophobicContact CB-CB 3.99Å; C478-D480 PolarHBondContact O-N 3.12Å; C478-D480 PolarHBondContact SG-OD2 2.83Å; D480-F483 VanDerWaalsContact O-CE1 3.24Å; D480-F483 WeakPolarHBondContact O-CE1 3.49Å
481I76.9Confident84.7Confident0 Ų021.4 Ų21.40%014%0.138CC..G310 helixtrans-117.420.3-174.758.5143.8000113.6F448 L452 I477 C478 S479 F483 L484 L503F448-I481 HydrophobicContact CE1-CD1 4.11Å; F448-I481 HydrophobicContact CE1-CG1 4.36Å; F448-I481 HydrophobicContact CE1-CG2 4.47Å; F448-I481 HydrophobicContact CZ-CD1 3.52Å; F448-I481 HydrophobicContact CZ-CG1 4.24Å; L452-I481 HydrophobicContact CD1-CG2 3.6Å; L452-I481 HydrophobicContact CD2-CG2 3.22Å; L452-I481 HydrophobicContact CG-CG2 4.04Å; I477-I481 HydrophobicContact CG2-CD1 3.95Å; I477-I481 HydrophobicContact CG2-CG1 3.81Å; C478-I481 VanDerWaalsContact O-CG1 3.31Å; C478-I481 WeakPolarHBondContact O-CG1 3.4Å; C478-I481 PolarHBondContact O-N 3.02Å; S479-I481 PolarHBondContact O-N 3.16Å; I481-F483 PolarHBondContact O-N 3.22Å; I481-L484 HydrophobicContact CB-CD1 3.58Å; I481-L484 HydrophobicContact CB-CG 3.73Å; I481-L484 HydrophobicContact CD1-CD1 3.57Å; I481-L484 HydrophobicContact CD1-CG 4.44Å; I481-L484 HydrophobicContact CG1-CD1 4.23Å; I481-L484 HydrophobicContact CG2-CD1 3.99Å; I481-L484 HydrophobicContact CG2-CG 4.32Å; I481-L484 VanDerWaalsContact O-CG 3.28Å; I481-L484 WeakPolarHBondContact O-CG 3.43Å; I481-L484 PolarHBondContact O-N 3.21Å; I481-L503 HydrophobicContact CD1-CD1 4.03Å; I481-L503 HydrophobicContact CD1-CD2 3.58Å; I481-L503 HydrophobicContact CD1-CG 4.45Å; I481-L503 HydrophobicContact CG1-CD2 3.81Å; I481-L503 WeakPolarHBondContact O-CD2 3.46Å
482G78.8Confident85.1Confident4 Ų419.1 Ų19.14%0.04111%0.112CC..THydrogen-bonded Turntrans-59.5-11.7178.600000114.9S479 H505S479-G482 PolarHBondContact O-N 3.34Å; G482-H505 PolarHBondContact O-CD2 3.1Å
483F85.2Confident85.2Confident6 Ų621.4 Ų21.43%0.02613%0.128CC..THydrogen-bonded Turntrans-90.3-5177.568.4-90.4000114.7F354 V357 Y359 D480 I481F354-F483 HydrophobicContact CB-CD2 4.2Å; F354-F483 AromaticContact CD1-CD2 3.83Å; F354-F483 HydrophobicContact CD1-CD2 3.83Å; F354-F483 HydrophobicContact CD1-CE2 4.1Å; F354-F483 HydrophobicContact CD2-CE2 4.18Å; F354-F483 HydrophobicContact CE1-CD2 4.33Å; F354-F483 HydrophobicContact CE1-CE2 4.31Å; F354-F483 HydrophobicContact CE2-CE2 4.39Å; F354-F483 AromaticContact CG-CD2 3.95Å; F354-F483 HydrophobicContact CG-CD2 3.95Å; F354-F483 HydrophobicContact CG-CE2 4.01Å; F354-F483 HydrophobicContact CZ-CE2 4.43Å; V357-F483 HydrophobicContact CG1-CB 4.04Å; Y359-F483 HydrophobicContact CD1-CB 3.98Å; Y359-F483 HydrophobicContact CD1-CD1 4.33Å; Y359-F483 AromaticContact CD1-CD2 3.66Å; Y359-F483 HydrophobicContact CD1-CD2 3.66Å; Y359-F483 HydrophobicContact CD1-CE2 4.21Å; Y359-F483 AromaticContact CD1-CG 3.73Å; Y359-F483 HydrophobicContact CD1-CG 3.73Å; Y359-F483 AromaticContact CD2-CD1 3.91Å; Y359-F483 HydrophobicContact CD2-CD1 3.91Å; Y359-F483 HydrophobicContact CD2-CE1 4.25Å; Y359-F483 HydrophobicContact CD2-CG 4.12Å; Y359-F483 AromaticContact CE1-CD2 3.76Å; Y359-F483 HydrophobicContact CE1-CD2 3.76Å; Y359-F483 AromaticContact CE1-CE2 3.83Å; Y359-F483 HydrophobicContact CE1-CE2 3.83Å; Y359-F483 HydrophobicContact CE1-CG 4.17Å; Y359-F483 HydrophobicContact CE1-CZ 4.28Å; Y359-F483 HydrophobicContact CE2-CD1 4.21Å; Y359-F483 HydrophobicContact CE2-CE1 4.08Å; Y359-F483 HydrophobicContact CE2-CZ 4.3Å; Y359-F483 HydrophobicContact CG-CB 3.79Å; Y359-F483 AromaticContact CG-CD1 3.98Å; Y359-F483 HydrophobicContact CG-CD1 3.98Å; Y359-F483 HydrophobicContact CG-CD2 4.12Å; Y359-F483 AromaticContact CG-CG 3.7Å; Y359-F483 HydrophobicContact CG-CG 3.7Å; D480-F483 VanDerWaalsContact O-CE1 3.24Å; D480-F483 WeakPolarHBondContact O-CE1 3.49Å; I481-F483 PolarHBondContact O-N 3.22Å
484L89.6Confident85.5Confident0 Ų020.3 Ų20.30%012%0.12CC..  trans-69.6136.7-174.4-63.3-173000112.8F354 I465 I481 H505 L506F354-L484 HydrophobicContact CE1-CD2 4.1Å; F354-L484 HydrophobicContact CZ-CD2 4.22Å; I465-L484 HydrophobicContact CB-CD1 4.01Å; I465-L484 HydrophobicContact CD1-CD1 3.63Å; I465-L484 HydrophobicContact CD1-CD2 3.21Å; I465-L484 HydrophobicContact CD1-CG 4.02Å; I465-L484 HydrophobicContact CG1-CD1 3.78Å; I465-L484 HydrophobicContact CG1-CD2 3.61Å; I465-L484 HydrophobicContact CG1-CG 4.29Å; I481-L484 HydrophobicContact CB-CD1 3.58Å; I481-L484 HydrophobicContact CB-CG 3.73Å; I481-L484 HydrophobicContact CD1-CD1 3.57Å; I481-L484 HydrophobicContact CD1-CG 4.44Å; I481-L484 HydrophobicContact CG1-CD1 4.23Å; I481-L484 HydrophobicContact CG2-CD1 3.99Å; I481-L484 HydrophobicContact CG2-CG 4.32Å; I481-L484 VanDerWaalsContact O-CG 3.28Å; I481-L484 WeakPolarHBondContact O-CG 3.43Å; I481-L484 PolarHBondContact O-N 3.21Å; L484-H505 CarbonylContact O-C 3.58Å; L484-L506 WeakPolarHBondContact O-CA 3.31Å; L484-L506 PolarHBondContact O-N 2.81Å
485T93.6Very high85.9Confident0 Ų021.3 Ų21.30%013%0.127CC..SBendtrans-102.1-23.6174.664.60000112.7D355 V357 H505 R507 Q508D355-T485 HydrophobicContact CB-CG2 4.07Å; D355-T485 WeakPolarHBondContact OD2-CB 3.39Å; D355-T485 PolarHBondContact OD2-OG1 3.29Å; V357-T485 HydrophobicContact CG2-CG2 3.59Å; T485-H505 WeakPolarHBondContact CA-O 3.39Å; T485-R507 WeakPolarHBondContact O-CA 3.18Å; T485-R507 PolarHBondContact O-N 3.06Å; T485-Q508 PolarHBondContact O-N 2.65Å
486Q94.7Very high86.3Confident33 Ų3323.5 Ų23.515%0.15414%0.143CC..EExtended strand (participates in β ladder)trans-139.5130.5-178.1-54.3-178.111.100111.4P463 T464 I465 Q508P463-Q486 HydrophobicContact CB-CG 4.25Å; T464-Q486 WeakPolarHBondContact CA-O 3.38Å; T464-Q486 HydrophobicContact CG2-CB 4.17Å; T464-Q486 PolarHBondContact OG1-OE1 3.2Å; I465-Q486 PolarHBondContact N-O 2.78Å; Q486-Q508 WeakPolarHBondContact CA-O 3.5Å; Q486-Q508 HydrophobicContact CB-CB 4.16Å; Q486-Q508 HydrophobicContact CG-CB 3.88Å
487L94Very high87.1Confident2 Ų223.2 Ų23.21%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-135.3127.3-176.7179.963.9000110.9I465 L467 I489 L500 L503 L506 Q508 L509 L510I465-L487 HydrophobicContact CB-CD1 4.41Å; L467-L487 HydrophobicContact CD1-CD1 4.05Å; L467-L487 HydrophobicContact CG-CD1 4.46Å; L487-I489 HydrophobicContact CD1-CG2 3.98Å; L487-I489 HydrophobicContact CD2-CG2 3.99Å; L487-I489 HydrophobicContact CG-CG2 3.86Å; L487-L500 HydrophobicContact CD2-CD2 3.55Å; L487-L503 HydrophobicContact CD2-CD1 3.77Å; L487-L506 HydrophobicContact CB-CD1 3.73Å; L487-Q508 PolarHBondContact N-O 3.43Å; L487-L509 HydrophobicContact CB-CD1 4.48Å; L487-L509 HydrophobicContact CD2-CD1 4.35Å; L487-L510 PolarHBondContact O-N 2.63Å
488N94.5Very high88.2Confident22 Ų2223 Ų2312%0.11814%0.143CC..EExtended strand (participates in β ladder)trans-110.6116.7169.2-176.812.9000110.4T464 I465 D466 L467 S468 S490 L510T464-N488 HydrophobicContact CG2-CB 4.39Å; I465-N488 PolarHBondContact O-N 3.17Å; D466-N488 PolarHBondContact OD1-ND2 2.86Å; D466-N488 VanDerWaalsContact OD1-ND2 3.1Å; L467-N488 CarbonylContact C-O 3.55Å; L467-N488 VanDerWaalsContact C-O 3.3Å; L467-N488 VanDerWaalsContact CA-O 3.29Å; L467-N488 WeakPolarHBondContact CA-O 3.37Å; L467-N488 WeakPolarHBondContact CB-O 3.39Å; L467-N488 PolarHBondContact N-O 3.34Å; S468-N488 PolarHBondContact N-O 2.8Å; N488-S490 WeakPolarHBondContact OD1-CB 3.39Å; N488-S490 PolarHBondContact OD1-N 3.25Å; N488-S490 PolarHBondContact OD1-OG 3.07Å; N488-L510 CarbonylContact C-O 3.5Å; N488-L510 WeakPolarHBondContact CA-O 3Å; N488-L510 HydrophobicContact CB-CB 4.11Å; N488-L510 HydrophobicContact CB-CD1 4.33Å; N488-L510 PolarHBondContact OD1-O 3.06Å
489I95.2Very high89.4Confident0 Ų022.8 Ų22.80%014%0.142CC..  trans-123.222.5177.352.4172000111L467 L475 L487 N492 L494 I497 L500 L509 L510 A511 N514L467-I489 HydrophobicContact CB-CG2 4.11Å; L467-I489 HydrophobicContact CD1-CG2 4.43Å; L475-I489 HydrophobicContact CD1-CD1 3.9Å; L475-I489 HydrophobicContact CD2-CD1 4.46Å; L475-I489 HydrophobicContact CD2-CG2 4.14Å; L487-I489 HydrophobicContact CD1-CG2 3.98Å; L487-I489 HydrophobicContact CD2-CG2 3.99Å; L487-I489 HydrophobicContact CG-CG2 3.86Å; I489-N492 PolarHBondContact O-ND2 3.3Å; I489-L494 HydrophobicContact CB-CD1 4.1Å; I489-L494 HydrophobicContact CD1-CD1 3.77Å; I489-L494 HydrophobicContact CG1-CD1 4.31Å; I489-I497 HydrophobicContact CD1-CG2 4.15Å; I489-L500 HydrophobicContact CD1-CD1 4.46Å; I489-L509 HydrophobicContact CD1-CD1 3.94Å; I489-L509 HydrophobicContact CG1-CD1 4.06Å; I489-L510 PolarHBondContact N-O 3.28Å; I489-A511 HydrophobicContact CD1-CB 3.97Å; I489-A511 HydrophobicContact CG1-CB 3.78Å; I489-N514 PolarHBondContact O-ND2 2.54Å
490S97.9Very high90.8Very high15 Ų1521.9 Ų21.911%0.10514%0.136CC..THydrogen-bonded Turntrans-65.3152.9-176.3-57.60000113S468 S469 N488 N492 L510 K512S468-S490 CarbonylContact C-O 3.33Å; S468-S490 WeakPolarHBondContact CA-O 3.4Å; S468-S490 WeakPolarHBondContact CB-O 3.3Å; S469-S490 PolarHBondContact N-O 3.25Å; N488-S490 WeakPolarHBondContact OD1-CB 3.39Å; N488-S490 PolarHBondContact OD1-N 3.25Å; N488-S490 PolarHBondContact OD1-OG 3.07Å; S490-N492 VanDerWaalsContact C-N 3.35Å; S490-N492 PolarHBondContact O-N 2.84Å; S490-L510 PolarHBondContact N-O 3.39Å; S490-L510 PolarHBondContact OG-O 3.49Å; S490-K512 CarbonylContact C-O 3.57Å; S490-K512 WeakPolarHBondContact CA-O 3.38Å; S490-K512 PolarHBondContact OG-N 2.72Å; S490-K512 VanDerWaalsContact OG-N 3.08Å
491G97.5Very high92Very high31 Ų3120.7 Ų20.732%0.3213%0.131SC..THydrogen-bonded Turntrans68.631.217400000114.1S469 K512 C513S469-G491 WeakPolarHBondContact CA-O 3.46Å; G491-K512 PolarHBondContact N-O 3.48Å; G491-C513 WeakPolarHBondContact CA-O 3.12Å; G491-C513 PolarHBondContact N-O 3.44Å
492N95.8Very high92.7Very high9 Ų922.5 Ų22.55%0.04814%0.143CC..SBendtrans-108.6-171.6173.7-74.1-61.6000110L467 K470 G471 L472 I489 S490 L494 N514L467-N492 PolarHBondContact O-ND2 2.88Å; K470-N492 PolarHBondContact N-OD1 3.13Å; G471-N492 PolarHBondContact N-OD1 3.11Å; L472-N492 HydrophobicContact CB-CB 4.1Å; L472-N492 PolarHBondContact N-OD1 3.4Å; I489-N492 PolarHBondContact O-ND2 3.3Å; S490-N492 VanDerWaalsContact C-N 3.35Å; S490-N492 PolarHBondContact O-N 2.84Å; N492-L494 HydrophobicContact CB-CD1 4.31Å; N492-L494 HydrophobicContact CB-CG 4Å; N492-N514 WeakPolarHBondContact CA-OD1 3.37Å; N492-N514 WeakPolarHBondContact CB-OD1 3.31Å; N492-N514 PolarHBondContact N-OD1 3.01Å; N492-N514 PolarHBondContact O-OD1 3.06Å; N492-N514 VanDerWaalsContact O-OD1 3.12Å
493S95.3Very high93.3Very high50 Ų5022.3 Ų22.335%0.3514%0.141SC..  trans-112.332.1176.8-67.80000112.4L472 Q495 N514L472-S493 CarbonylContact O-C 3.44Å; L472-S493 WeakPolarHBondContact O-CA 3.31Å; L472-S493 PolarHBondContact O-N 3.29Å; S493-Q495 PolarHBondContact O-N 3.25Å; S493-N514 PolarHBondContact N-OD1 2.67Å
494L95.5Very high93.7Very high0 Ų022.2 Ų22.20%014%0.141CC..  trans-71129.8-175.4-59.4172.6000110.9L472 L475 I489 N492 N514 R515 I516L472-L494 HydrophobicContact CB-CD2 3.92Å; L475-L494 HydrophobicContact CD1-CD1 4.18Å; L475-L494 HydrophobicContact CD2-CD1 3.67Å; L475-L494 HydrophobicContact CD2-CD2 4.04Å; L475-L494 HydrophobicContact CG-CD1 3.8Å; L475-L494 HydrophobicContact CG-CD2 3.89Å; L475-L494 HydrophobicContact CG-CG 4.46Å; I489-L494 HydrophobicContact CB-CD1 4.1Å; I489-L494 HydrophobicContact CD1-CD1 3.77Å; I489-L494 HydrophobicContact CG1-CD1 4.31Å; N492-L494 HydrophobicContact CB-CD1 4.31Å; N492-L494 HydrophobicContact CB-CG 4Å; L494-N514 HydrophobicContact CB-CB 4.46Å; L494-N514 WeakPolarHBondContact CB-OD1 3.38Å; L494-N514 WeakPolarHBondContact CG-OD1 3.36Å; L494-N514 PolarHBondContact N-OD1 3.44Å; L494-R515 CarbonylContact O-C 3.51Å; L494-R515 VanDerWaalsContact O-CA 3.28Å; L494-R515 WeakPolarHBondContact O-CA 3.47Å; L494-R515 PolarHBondContact O-N 2.92Å; L494-I516 HydrophobicContact CB-CG1 4.42Å; L494-I516 PolarHBondContact O-N 3.48Å
495Q94.5Very high94Very high118 Ų11822.2 Ų22.255%0.55114%0.141SC*.SBendtrans-95.3-19.8174.3-65.8177.637.600113.1S493 R515S493-Q495 PolarHBondContact O-N 3.25Å; Q495-R515 WeakPolarHBondContact CA-O 3.41Å; Q495-R515 HydrophobicContact CG-CB 4.15Å
496S93.4Very high94Very high56 Ų5622.2 Ų22.239%0.39214%0.141SC..  trans-145.6142.1-175.2177.20000110.6A498S496-A498 WeakPolarHBondContact OG-CB 3.49Å; S496-A498 PolarHBondContact OG-N 2.76Å
497I94.1Very high94.1Very high0 Ų023 Ų230%014%0.143CC..  trans-110.813.517258.1174.6000112.5L475 I489 P499 L500 L509 I516 R520 L522 L533L475-I497 HydrophobicContact CD1-CG2 4.27Å; I489-I497 HydrophobicContact CD1-CG2 4.15Å; I497-P499 VanDerWaalsContact C-N 3.25Å; I497-P499 VanDerWaalsContact O-N 3.12Å; I497-L500 HydrophobicContact CB-CD1 3.69Å; I497-L500 HydrophobicContact CB-CG 3.99Å; I497-L500 HydrophobicContact CD1-CD1 4.35Å; I497-L500 HydrophobicContact CG1-CD1 4.5Å; I497-L500 HydrophobicContact CG2-CD1 4.06Å; I497-L500 VanDerWaalsContact O-CB 3.24Å; I497-L500 WeakPolarHBondContact O-CB 3.38Å; I497-L500 WeakPolarHBondContact O-CG 3.42Å; I497-L500 PolarHBondContact O-N 2.8Å; I497-L509 HydrophobicContact CD1-CD2 4.16Å; I497-I516 HydrophobicContact CD1-CG2 4.37Å; I497-I516 HydrophobicContact CG1-CG2 4.14Å; I497-I516 HydrophobicContact CG2-CD1 3.47Å; I497-I516 VanDerWaalsContact CG2-CD1 3.47Å; I497-I516 HydrophobicContact CG2-CG1 4Å; I497-I516 HydrophobicContact CG2-CG2 4.38Å; I497-R520 CarbonylContact C-O 3.59Å; I497-L522 HydrophobicContact CD1-CD1 3.89Å; I497-L522 HydrophobicContact CD1-CD2 4.08Å; I497-L522 HydrophobicContact CD1-CG 3.97Å; I497-L533 HydrophobicContact CD1-CD2 4.35Å
498A92.1Very high94.2Very high26 Ų2624.4 Ų24.422%0.21515%0.149CC..G310 helixtrans-50.2-36.7177.700000114.7S496 L500 S501 R520S496-A498 WeakPolarHBondContact OG-CB 3.49Å; S496-A498 PolarHBondContact OG-N 2.76Å; A498-L500 PolarHBondContact O-N 3.05Å; A498-S501 WeakPolarHBondContact O-CB 3.4Å; A498-S501 PolarHBondContact O-N 3.38Å; A498-S501 PolarHBondContact O-OG 2.71Å; A498-R520 WeakPolarHBondContact CA-O 3.22Å; A498-R520 HydrophobicContact CB-CB 4.37Å; A498-R520 HydrophobicContact CB-CG 4.13Å; A498-R520 PolarHBondContact N-O 3.04Å
499P90.8Very high94.3Very high42 Ų4223.4 Ų23.427%0.27314%0.143SC..G310 helixtrans-60.3-23.9175.5-27.638.7000114.4L475 I477 I497 S501 C502L475-P499 HydrophobicContact CB-CB 4.06Å; L475-P499 HydrophobicContact CB-CG 4.05Å; L475-P499 WeakPolarHBondContact O-CG 3.45Å; I477-P499 HydrophobicContact CB-CB 4.5Å; I477-P499 HydrophobicContact CD1-CB 3.95Å; I477-P499 WeakPolarHBondContact CD1-O 3.5Å; I477-P499 HydrophobicContact CG1-CB 4.09Å; I497-P499 VanDerWaalsContact C-N 3.25Å; I497-P499 VanDerWaalsContact O-N 3.12Å; P499-S501 PolarHBondContact O-N 3.4Å; P499-C502 PolarHBondContact O-N 3.32Å
500L92.6Very high94.4Very high0 Ų025.3 Ų25.30%015%0.153CC..G310 helixtrans-62.7-14.3179.4-61.1-175.2000113.1L475 I477 L487 I489 I497 A498 C502 L503 L509 L522L475-L500 HydrophobicContact CD1-CD2 3.69Å; L475-L500 HydrophobicContact CD1-CG 3.95Å; I477-L500 HydrophobicContact CD1-CB 4.42Å; I477-L500 HydrophobicContact CD1-CD2 3.58Å; I477-L500 HydrophobicContact CD1-CG 4.33Å; L487-L500 HydrophobicContact CD2-CD2 3.55Å; I489-L500 HydrophobicContact CD1-CD1 4.46Å; I497-L500 HydrophobicContact CB-CD1 3.69Å; I497-L500 HydrophobicContact CB-CG 3.99Å; I497-L500 HydrophobicContact CD1-CD1 4.35Å; I497-L500 HydrophobicContact CG1-CD1 4.5Å; I497-L500 HydrophobicContact CG2-CD1 4.06Å; I497-L500 VanDerWaalsContact O-CB 3.24Å; I497-L500 WeakPolarHBondContact O-CB 3.38Å; I497-L500 WeakPolarHBondContact O-CG 3.42Å; I497-L500 PolarHBondContact O-N 2.8Å; A498-L500 PolarHBondContact O-N 3.05Å; L500-C502 PolarHBondContact O-N 2.95Å; L500-L503 HydrophobicContact CD2-CD1 3.86Å; L500-L503 WeakPolarHBondContact O-CB 3.37Å; L500-L503 PolarHBondContact O-N 2.99Å; L500-L509 HydrophobicContact CD1-CD1 3.68Å; L500-L509 HydrophobicContact CD1-CD2 3.42Å; L500-L509 VanDerWaalsContact CD1-CD2 3.42Å; L500-L509 HydrophobicContact CD1-CG 4.19Å; L500-L522 HydrophobicContact CB-CD2 4.48Å; L500-L522 HydrophobicContact CD1-CD2 4.2Å
501S91Very high94.4Very high21 Ų2124.6 Ų24.615%0.14715%0.148CC..G310 helixtrans-52.9-23.2173.751.80000113.9P309 A498 P499 G521P309-S501 WeakPolarHBondContact CB-O 3.03Å; A498-S501 WeakPolarHBondContact O-CB 3.4Å; A498-S501 PolarHBondContact O-N 3.38Å; A498-S501 PolarHBondContact O-OG 2.71Å; P499-S501 PolarHBondContact O-N 3.4Å; S501-G521 WeakPolarHBondContact CA-O 3.46Å; S501-G521 PolarHBondContact N-O 3.35Å; S501-G521 VanDerWaalsContact N-O 3.1Å
502C90.1Very high94.5Very high38 Ų3826.6 Ų26.626%0.25715%0.148SC..G310 helixtrans-79.6-12.4175.9-65.50000114.2L317 P499 L500 L504L317-C502 HydrophobicContact CD1-CB 3.83Å; L317-C502 WeakPolarHBondContact CD1-O 3.45Å; P499-C502 PolarHBondContact O-N 3.32Å; L500-C502 PolarHBondContact O-N 2.95Å; C502-L504 PolarHBondContact O-N 3.4Å
503L92.8Very high94.6Very high0 Ų029.3 Ų29.30%017%0.167CC..  trans-9463.8-177.1-53.5-170.1000111.1I477 I481 L487 L500 H505 L506 L525I477-L503 HydrophobicContact CD1-CD1 4.07Å; I477-L503 HydrophobicContact CD1-CD2 4.32Å; I477-L503 HydrophobicContact CD1-CG 3.98Å; I477-L503 HydrophobicContact CG2-CD2 3.82Å; I481-L503 HydrophobicContact CD1-CD1 4.03Å; I481-L503 HydrophobicContact CD1-CD2 3.58Å; I481-L503 HydrophobicContact CD1-CG 4.45Å; I481-L503 HydrophobicContact CG1-CD2 3.81Å; I481-L503 WeakPolarHBondContact O-CD2 3.46Å; L487-L503 HydrophobicContact CD2-CD1 3.77Å; L500-L503 HydrophobicContact CD2-CD1 3.86Å; L500-L503 WeakPolarHBondContact O-CB 3.37Å; L500-L503 PolarHBondContact O-N 2.99Å; L503-H505 PolarHBondContact O-N 2.81Å; L503-H505 VanDerWaalsContact O-N 3.11Å; L503-L506 HydrophobicContact CB-CB 3.93Å; L503-L506 HydrophobicContact CB-CD2 4.47Å; L503-L506 HydrophobicContact CD1-CD1 4.43Å; L503-L506 HydrophobicContact CD1-CD2 4.44Å; L503-L506 WeakPolarHBondContact O-CB 3.43Å; L503-L506 PolarHBondContact O-N 3.48Å; L503-L525 WeakPolarHBondContact O-CD2 3.49Å
504L93.3Very high94.7Very high3 Ų327.6 Ų27.62%0.01615%0.154CC..THydrogen-bonded Turntrans-65.4-18.1-168.6-65.2162.1000114.9V276 V278 L317 Y319 C502 L525V276-L504 HydrophobicContact CG1-CB 4.41Å; V278-L504 HydrophobicContact CB-CD1 4.5Å; V278-L504 HydrophobicContact CG1-CD1 4.09Å; V278-L504 HydrophobicContact CG2-CB 4Å; V278-L504 HydrophobicContact CG2-CD1 3.63Å; V278-L504 HydrophobicContact CG2-CG 4.47Å; L317-L504 HydrophobicContact CD2-CD1 3.73Å; Y319-L504 HydrophobicContact CD1-CD1 3.4Å; Y319-L504 HydrophobicContact CD1-CD2 4.09Å; Y319-L504 HydrophobicContact CD1-CG 4.4Å; Y319-L504 HydrophobicContact CD2-CD1 4.01Å; Y319-L504 HydrophobicContact CD2-CD2 4.34Å; Y319-L504 HydrophobicContact CE1-CD1 4.21Å; Y319-L504 HydrophobicContact CE1-CD2 4.07Å; Y319-L504 HydrophobicContact CE2-CD2 4.31Å; Y319-L504 HydrophobicContact CG-CD1 3.28Å; Y319-L504 HydrophobicContact CG-CD2 4.23Å; Y319-L504 HydrophobicContact CG-CG 4.38Å; C502-L504 PolarHBondContact O-N 3.4Å; L504-L525 HydrophobicContact CD2-CD2 4.33Å
505H94.5Very high94.7Very high0 Ų034.8 Ų34.80%018%0.181CC..THydrogen-bonded Turntrans-94.35.5174-55.6-53.1000113.3S269 V276 V278 V357 G482 L484 T485 L503 R507 E527S269-H505 PolarHBondContact OG-CD2 3.47Å; S269-H505 VanDerWaalsContact OG-CD2 3.3Å; S269-H505 PolarHBondContact OG-NE2 2.97Å; V276-H505 PolarHBondContact O-CE1 3.29Å; V278-H505 WeakPolarHBondContact CG2-NE2 3.21Å; V357-H505 HydrophobicContact CG2-CB 3.71Å; G482-H505 PolarHBondContact O-CD2 3.1Å; L484-H505 CarbonylContact O-C 3.58Å; T485-H505 WeakPolarHBondContact CA-O 3.39Å; L503-H505 PolarHBondContact O-N 2.81Å; L503-H505 VanDerWaalsContact O-N 3.11Å; H505-R507 PolarHBondContact O-N 2.96Å; H505-E527 WeakPolarHBondContact CA-OE2 3.18Å; H505-E527 IonicContact ND1-OE2 2.72Å
506L95.1Very high94.8Very high0 Ų029.1 Ų29.10%016%0.155CC..  trans-68.1121.1-177.4-170.472.6000110.7L484 L487 L503 Q508 L509 L525 E527 L528L484-L506 WeakPolarHBondContact O-CA 3.31Å; L484-L506 PolarHBondContact O-N 2.81Å; L487-L506 HydrophobicContact CB-CD1 3.73Å; L503-L506 HydrophobicContact CB-CB 3.93Å; L503-L506 HydrophobicContact CB-CD2 4.47Å; L503-L506 HydrophobicContact CD1-CD1 4.43Å; L503-L506 HydrophobicContact CD1-CD2 4.44Å; L503-L506 WeakPolarHBondContact O-CB 3.43Å; L503-L506 PolarHBondContact O-N 3.48Å; L506-Q508 WeakPolarHBondContact CD1-O 3.46Å; L506-L509 HydrophobicContact CD2-CB 4.14Å; L506-L509 HydrophobicContact CD2-CD1 4.44Å; L506-L525 HydrophobicContact CB-CD1 4.38Å; L506-L525 HydrophobicContact CD2-CD1 4.06Å; L506-E527 CarbonylContact O-C 3.51Å; L506-L528 HydrophobicContact CD2-CD1 4.19Å; L506-L528 HydrophobicContact CG-CD1 4.14Å; L506-L528 VanDerWaalsContact O-CA 3.27Å; L506-L528 WeakPolarHBondContact O-CA 3.47Å; L506-L528 WeakPolarHBondContact O-CD1 3.39Å; L506-L528 PolarHBondContact O-N 3.38Å
507R95.8Very high94.8Very high51 Ų5129.8 Ų29.819%0.19216%0.16CC..  trans-106-34.4178.9-61.6177.365.5-136.2-0.4112.1D355 T485 H505 E527 E529 I530D355-R507 IonicContact OD2-NH1 2.77Å; D355-R507 PolarHBondContact OD2-NH1 3.35Å; T485-R507 WeakPolarHBondContact O-CA 3.18Å; T485-R507 PolarHBondContact O-N 3.06Å; H505-R507 PolarHBondContact O-N 2.96Å; R507-E527 HydrophobicContact CG-CB 4.1Å; R507-E527 WeakPolarHBondContact CG-O 3.46Å; R507-E529 IonicContact CZ-OE1 3.63Å; R507-E529 IonicContact CZ-OE2 2.81Å; R507-E529 IonicContact NE-OE1 2.94Å; R507-E529 PolarHBondContact NE-OE1 3.14Å; R507-E529 IonicContact NE-OE2 3.7Å; R507-E529 IonicContact NH2-OE1 3.18Å; R507-E529 PolarHBondContact NH2-OE1 3.01Å; R507-E529 IonicContact NH2-OE2 3.45Å; R507-E529 PolarHBondContact NH2-OE2 3.33Å; R507-E529 WeakPolarHBondContact O-CA 3.22Å; R507-E529 PolarHBondContact O-N 3.01Å; R507-I530 PolarHBondContact O-N 3.47Å
508Q96.3Very high94.8Very high31 Ų3131.5 Ų31.515%0.14517%0.172CC..EExtended strand (participates in β ladder)trans-128.7125.5179.1-174.7172.437.200112T485 Q486 L487 L506 L510 I530T485-Q508 PolarHBondContact O-N 2.65Å; Q486-Q508 WeakPolarHBondContact CA-O 3.5Å; Q486-Q508 HydrophobicContact CB-CB 4.16Å; Q486-Q508 HydrophobicContact CG-CB 3.88Å; L487-Q508 PolarHBondContact N-O 3.43Å; L506-Q508 WeakPolarHBondContact CD1-O 3.46Å; Q508-L510 HydrophobicContact CG-CD2 4.23Å; Q508-L510 HydrophobicContact CG-CG 4.32Å; Q508-I530 CarbonylContact C-O 3.55Å; Q508-I530 WeakPolarHBondContact CA-O 3.15Å; Q508-I530 HydrophobicContact CB-CB 4.41Å; Q508-I530 HydrophobicContact CG-CB 4.02Å; Q508-I530 HydrophobicContact CG-CG2 4.15Å
509L97.2Very high94.8Very high0 Ų030.3 Ų30.30%016%0.161CC..EExtended strand (participates in β ladder)trans-119.4118.3172.7178.461.1000110.3L487 I489 I497 L500 L506 A511 L522 L528 I530 V531 D532L487-L509 HydrophobicContact CB-CD1 4.48Å; L487-L509 HydrophobicContact CD2-CD1 4.35Å; I489-L509 HydrophobicContact CD1-CD1 3.94Å; I489-L509 HydrophobicContact CG1-CD1 4.06Å; I497-L509 HydrophobicContact CD1-CD2 4.16Å; L500-L509 HydrophobicContact CD1-CD1 3.68Å; L500-L509 HydrophobicContact CD1-CD2 3.42Å; L500-L509 VanDerWaalsContact CD1-CD2 3.42Å; L500-L509 HydrophobicContact CD1-CG 4.19Å; L506-L509 HydrophobicContact CD2-CB 4.14Å; L506-L509 HydrophobicContact CD2-CD1 4.44Å; L509-A511 HydrophobicContact CD1-CB 4.32Å; L509-A511 HydrophobicContact CG-CB 4.2Å; L509-L522 HydrophobicContact CD2-CD2 4.01Å; L509-L528 HydrophobicContact CB-CD1 4.45Å; L509-I530 PolarHBondContact N-O 3.22Å; L509-V531 WeakPolarHBondContact O-CA 3.31Å; L509-D532 PolarHBondContact O-N 2.87Å
510L97.5Very high94.9Very high40 Ų4035.9 Ų35.921%0.20918%0.177CC..EExtended strand (participates in β ladder)trans-107.6109169.6-53.2179.3000108.9L487 N488 I489 S490 Q508 D532L487-L510 PolarHBondContact O-N 2.63Å; N488-L510 CarbonylContact C-O 3.5Å; N488-L510 WeakPolarHBondContact CA-O 3Å; N488-L510 HydrophobicContact CB-CB 4.11Å; N488-L510 HydrophobicContact CB-CD1 4.33Å; N488-L510 PolarHBondContact OD1-O 3.06Å; I489-L510 PolarHBondContact N-O 3.28Å; S490-L510 PolarHBondContact N-O 3.39Å; S490-L510 PolarHBondContact OG-O 3.49Å; Q508-L510 HydrophobicContact CG-CD2 4.23Å; Q508-L510 HydrophobicContact CG-CG 4.32Å; L510-D532 HydrophobicContact CD2-CB 3.89Å
511A97.5Very high94.8Very high0 Ų036 Ų360%018%0.178CC..  trans-131.736.9-17400000112.3I489 L509 N514 I516 D532 L533 N536I489-A511 HydrophobicContact CD1-CB 3.97Å; I489-A511 HydrophobicContact CG1-CB 3.78Å; L509-A511 HydrophobicContact CD1-CB 4.32Å; L509-A511 HydrophobicContact CG-CB 4.2Å; A511-N514 PolarHBondContact O-ND2 2.64Å; A511-I516 HydrophobicContact CB-CD1 3.92Å; A511-D532 CarbonylContact C-O 3.23Å; A511-D532 WeakPolarHBondContact CA-O 3.22Å; A511-D532 PolarHBondContact N-O 2.8Å; A511-L533 HydrophobicContact CB-CD2 3.93Å; A511-N536 PolarHBondContact O-ND2 3.04Å
512K97.9Very high94.9Very high74 Ų7435 Ų3532%0.32217%0.171SC..  trans-62.2157-178.7-58.6178.6176.61780112.2S490 G491 N514 D532 T534S490-K512 CarbonylContact C-O 3.57Å; S490-K512 WeakPolarHBondContact CA-O 3.38Å; S490-K512 PolarHBondContact OG-N 2.72Å; S490-K512 VanDerWaalsContact OG-N 3.08Å; G491-K512 PolarHBondContact N-O 3.48Å; K512-N514 PolarHBondContact O-N 2.96Å; K512-N514 PolarHBondContact O-ND2 2.65Å; K512-N514 VanDerWaalsContact O-ND2 3.08Å; K512-D532 WeakPolarHBondContact CE-OD1 3.35Å; K512-D532 WeakPolarHBondContact CE-OD2 3.35Å; K512-D532 IonicContact NZ-OD2 2.83Å; K512-D532 PolarHBondContact NZ-OD2 3.44Å; K512-T534 CarbonylContact C-O 3.47Å; K512-T534 WeakPolarHBondContact CA-O 3.42Å
513C98.1Very high95Very high66 Ų6635.4 Ų35.445%0.44617%0.169SC..SBendtrans52.855.4168-54.90000112.2G491 T534 D535G491-C513 WeakPolarHBondContact CA-O 3.12Å; G491-C513 PolarHBondContact N-O 3.44Å; C513-T534 PolarHBondContact N-O 2.78Å; C513-D535 VanDerWaalsContact CA-O 3.26Å; C513-D535 WeakPolarHBondContact CA-O 3.4Å; C513-D535 PolarHBondContact N-O 3.3Å
514N98.1Very high94.8Very high13 Ų1337.2 Ų37.27%0.0718%0.178CC..SBendtrans-126.3-161.7176-87.4-78.5000109.1I489 N492 S493 L494 A511 K512 I516 D535 N536I489-N514 PolarHBondContact O-ND2 2.54Å; N492-N514 WeakPolarHBondContact CA-OD1 3.37Å; N492-N514 WeakPolarHBondContact CB-OD1 3.31Å; N492-N514 PolarHBondContact N-OD1 3.01Å; N492-N514 PolarHBondContact O-OD1 3.06Å; N492-N514 VanDerWaalsContact O-OD1 3.12Å; S493-N514 PolarHBondContact N-OD1 2.67Å; L494-N514 HydrophobicContact CB-CB 4.46Å; L494-N514 WeakPolarHBondContact CB-OD1 3.38Å; L494-N514 WeakPolarHBondContact CG-OD1 3.36Å; L494-N514 PolarHBondContact N-OD1 3.44Å; A511-N514 PolarHBondContact O-ND2 2.64Å; K512-N514 PolarHBondContact O-N 2.96Å; K512-N514 PolarHBondContact O-ND2 2.65Å; K512-N514 VanDerWaalsContact O-ND2 3.08Å; N514-I516 HydrophobicContact CB-CD1 3.93Å; N514-I516 HydrophobicContact CB-CG1 3.96Å; N514-D535 PolarHBondContact N-O 3.39Å; N514-N536 WeakPolarHBondContact CA-OD1 3.14Å; N514-N536 WeakPolarHBondContact CB-OD1 3.39Å
515R96.6Very high94.8Very high151 Ų15137 Ų3757%0.5718%0.178SC*.  trans-123.128.9176.4-58.3-176.3-175.1-179.82.9111.6L494 Q495 S517 N536L494-R515 CarbonylContact O-C 3.51Å; L494-R515 VanDerWaalsContact O-CA 3.28Å; L494-R515 WeakPolarHBondContact O-CA 3.47Å; L494-R515 PolarHBondContact O-N 2.92Å; Q495-R515 WeakPolarHBondContact CA-O 3.41Å; Q495-R515 HydrophobicContact CG-CB 4.15Å; R515-S517 PolarHBondContact O-N 3.41Å; R515-N536 PolarHBondContact N-OD1 2.96Å
516I95.9Very high94.7Very high0 Ų040 Ų400%019%0.193CC..  trans-71.4125-172.5-58.2160.7000108.7L494 I497 A511 N514 S518 L533 N536 C537 I538L494-I516 HydrophobicContact CB-CG1 4.42Å; L494-I516 PolarHBondContact O-N 3.48Å; I497-I516 HydrophobicContact CD1-CG2 4.37Å; I497-I516 HydrophobicContact CG1-CG2 4.14Å; I497-I516 HydrophobicContact CG2-CD1 3.47Å; I497-I516 VanDerWaalsContact CG2-CD1 3.47Å; I497-I516 HydrophobicContact CG2-CG1 4Å; I497-I516 HydrophobicContact CG2-CG2 4.38Å; A511-I516 HydrophobicContact CB-CD1 3.92Å; N514-I516 HydrophobicContact CB-CD1 3.93Å; N514-I516 HydrophobicContact CB-CG1 3.96Å; I516-S518 WeakPolarHBondContact CG2-O 3.22Å; I516-L533 HydrophobicContact CD1-CD2 3.76Å; I516-L533 HydrophobicContact CG2-CD2 4.46Å; I516-N536 HydrophobicContact CB-CB 4.41Å; I516-N536 WeakPolarHBondContact CB-OD1 3.47Å; I516-N536 WeakPolarHBondContact CG1-OD1 3.42Å; I516-N536 PolarHBondContact N-OD1 3.04Å; I516-C537 CarbonylContact O-C 3.56Å; I516-C537 VanDerWaalsContact O-C 3.23Å; I516-C537 VanDerWaalsContact O-CA 3.3Å; I516-C537 WeakPolarHBondContact O-CA 3.45Å; I516-C537 PolarHBondContact O-N 3.47Å; I516-I538 HydrophobicContact CB-CD1 4.36Å; I516-I538 HydrophobicContact CG2-CD1 3.8Å; I516-I538 WeakPolarHBondContact O-CD1 3.2Å; I516-I538 PolarHBondContact O-N 2.73Å
517S93.9Very high94.6Very high70 Ų7040 Ų4049%0.4919%0.193SC..  trans-105.9-10.9-179.557.90000114.6R515 C537R515-S517 PolarHBondContact O-N 3.41Å; S517-C537 WeakPolarHBondContact CA-O 3.39Å
518S92.6Very high94.6Very high36 Ų3637.6 Ų37.625%0.25218%0.184SC..  trans-144.7148.2-178.5168.80000110.7I516 R520 Q545I516-S518 WeakPolarHBondContact CG2-O 3.22Å; S518-R520 PolarHBondContact O-N 3.37Å; S518-R520 WeakPolarHBondContact OG-CB 3.41Å; S518-R520 PolarHBondContact OG-N 2.86Å; S518-R520 VanDerWaalsContact OG-N 3.09Å; S518-Q545 PolarHBondContact OG-NE2 3.29Å; S518-Q545 PolarHBondContact OG-OE1 3.14Å
519M93.2Very high94.5Very high0 Ų038.4 Ų38.40%019%0.187CC..  trans-86.918.3173.1-65.2-175-69.100112.3G521 L522 L533 I538 G542 F543 Q545 L546 L555M519-G521 PolarHBondContact O-N 2.72Å; M519-L522 HydrophobicContact CB-CD1 4.13Å; M519-L522 HydrophobicContact CG-CD1 4.49Å; M519-L522 WeakPolarHBondContact O-CB 3.25Å; M519-L522 WeakPolarHBondContact O-CG 3.39Å; M519-L522 PolarHBondContact O-N 3.07Å; M519-L533 HydrophobicContact CG-CD1 3.71Å; M519-L533 HydrophobicContact SD-CD1 3.79Å; M519-I538 HydrophobicContact CG-CD1 4.12Å; M519-G542 VanDerWaalsContact CE-C 3.45Å; M519-G542 VanDerWaalsContact CE-O 3.25Å; M519-G542 WeakPolarHBondContact CE-O 3.49Å; M519-F543 HydrophobicContact CE-CD1 4.36Å; M519-F543 HydrophobicContact CE-CD2 3.96Å; M519-F543 HydrophobicContact CE-CE2 4.03Å; M519-F543 HydrophobicContact CE-CG 4.11Å; M519-F543 HydrophobicContact CE-CZ 4.38Å; M519-Q545 VanDerWaalsContact CA-OE1 3.28Å; M519-Q545 HydrophobicContact CB-CB 4.19Å; M519-L546 HydrophobicContact CE-CD1 3.7Å; M519-L546 HydrophobicContact CE-CG 4.01Å; M519-L546 HydrophobicContact SD-CD1 3.61Å; M519-L546 HydrophobicContact SD-CD2 4.3Å; M519-L546 HydrophobicContact SD-CG 4Å; M519-L555 HydrophobicContact SD-CD1 4.48Å
520R92.2Very high94.4Very high160 Ų16040.1 Ų40.160%0.60420%0.196SC*.THydrogen-bonded Turntrans-58136.2175.2-167.4176.8175.1118.90.6109.1I497 A498 S518 E523 Q545I497-R520 CarbonylContact C-O 3.59Å; A498-R520 WeakPolarHBondContact CA-O 3.22Å; A498-R520 HydrophobicContact CB-CB 4.37Å; A498-R520 HydrophobicContact CB-CG 4.13Å; A498-R520 PolarHBondContact N-O 3.04Å; S518-R520 PolarHBondContact O-N 3.37Å; S518-R520 WeakPolarHBondContact OG-CB 3.41Å; S518-R520 PolarHBondContact OG-N 2.86Å; S518-R520 VanDerWaalsContact OG-N 3.09Å; R520-E523 WeakPolarHBondContact CA-OE1 3.5Å; R520-E523 WeakPolarHBondContact CG-OE1 3.43Å; R520-Q545 VanDerWaalsContact CA-NE2 3.26Å
521G91.2Very high94.3Very high1 Ų138.2 Ų38.21%0.0119%0.186CC..THydrogen-bonded Turntrans102.8-13.7-173.700000113.5S501 M519 E523S501-G521 WeakPolarHBondContact CA-O 3.46Å; S501-G521 PolarHBondContact N-O 3.35Å; S501-G521 VanDerWaalsContact N-O 3.1Å; M519-G521 PolarHBondContact O-N 2.72Å; G521-E523 VanDerWaalsContact CA-OE2 3.24Å; G521-E523 WeakPolarHBondContact CA-OE2 3.34Å; G521-E523 PolarHBondContact N-OE2 3.28Å
522L93.8Very high94.2Very high0 Ų038.4 Ų38.40%019%0.187CC..  trans-93.6-8.9179.4-54.3-174.1000113I497 L500 L509 M519 N524 L525 L528 V531 Q545 L546 C549I497-L522 HydrophobicContact CD1-CD1 3.89Å; I497-L522 HydrophobicContact CD1-CD2 4.08Å; I497-L522 HydrophobicContact CD1-CG 3.97Å; L500-L522 HydrophobicContact CB-CD2 4.48Å; L500-L522 HydrophobicContact CD1-CD2 4.2Å; L509-L522 HydrophobicContact CD2-CD2 4.01Å; M519-L522 HydrophobicContact CB-CD1 4.13Å; M519-L522 HydrophobicContact CG-CD1 4.49Å; M519-L522 WeakPolarHBondContact O-CB 3.25Å; M519-L522 WeakPolarHBondContact O-CG 3.39Å; M519-L522 PolarHBondContact O-N 3.07Å; L522-N524 PolarHBondContact O-N 3.24Å; L522-L525 HydrophobicContact CD2-CD1 3.64Å; L522-L525 PolarHBondContact O-N 3.48Å; L522-L525 VanDerWaalsContact O-N 3.1Å; L522-L528 HydrophobicContact CB-CD2 4.3Å; L522-L528 HydrophobicContact CD1-CD2 4.24Å; L522-L528 HydrophobicContact CD2-CD2 4.21Å; L522-L528 HydrophobicContact CG-CD2 4.48Å; L522-V531 HydrophobicContact CD1-CG1 4.38Å; L522-Q545 CarbonylContact C-O 3.52Å; L522-L546 HydrophobicContact CB-CD2 4Å; L522-L546 HydrophobicContact CD1-CD2 3.91Å; L522-C549 PolarHBondContact O-SG 3.18Å
523E90.5Very high94.1Very high48 Ų4834.9 Ų34.922%0.22417%0.172CC..THydrogen-bonded Turntrans-58.3-28.3-166.9-63.188.6165.200115.1R520 G521 Q545 N548R520-E523 WeakPolarHBondContact CA-OE1 3.5Å; R520-E523 WeakPolarHBondContact CG-OE1 3.43Å; G521-E523 VanDerWaalsContact CA-OE2 3.24Å; G521-E523 WeakPolarHBondContact CA-OE2 3.34Å; G521-E523 PolarHBondContact N-OE2 3.28Å; E523-Q545 WeakPolarHBondContact CA-O 3.04Å; E523-Q545 HydrophobicContact CG-CB 3.85Å; E523-Q545 HydrophobicContact CG-CG 4.23Å; E523-Q545 PolarHBondContact N-O 2.91Å; E523-Q545 WeakPolarHBondContact OE1-CG 3.02Å; E523-Q545 PolarHBondContact OE1-NE2 2.94Å; E523-N548 VanDerWaalsContact O-CB 3.28Å; E523-N548 WeakPolarHBondContact O-CB 3.13Å; E523-N548 PolarHBondContact O-ND2 3.24Å
524N89.7Confident94Very high37 Ų3732.7 Ų32.720%0.19816%0.157CC..THydrogen-bonded Turntrans-115.88.2-174.9-64.5-37.6000112.6P309 L522 I526P309-N524 PolarHBondContact O-ND2 2.76Å; P309-N524 VanDerWaalsContact O-ND2 3.16Å; L522-N524 PolarHBondContact O-N 3.24Å; N524-I526 VanDerWaalsContact C-N 3.26Å; N524-I526 PolarHBondContact O-N 3.08Å
525L93.3Very high93.9Very high0 Ų035.1 Ų35.10%017%0.17CC..  trans-8373179.7-54.1-169000109.8L503 L504 L506 L522 E527 L528L503-L525 WeakPolarHBondContact O-CD2 3.49Å; L504-L525 HydrophobicContact CD2-CD2 4.33Å; L506-L525 HydrophobicContact CB-CD1 4.38Å; L506-L525 HydrophobicContact CD2-CD1 4.06Å; L522-L525 HydrophobicContact CD2-CD1 3.64Å; L522-L525 PolarHBondContact O-N 3.48Å; L522-L525 VanDerWaalsContact O-N 3.1Å; L525-E527 PolarHBondContact O-N 2.96Å; L525-E527 VanDerWaalsContact O-N 3.14Å; L525-L528 HydrophobicContact CB-CB 4Å; L525-L528 HydrophobicContact CB-CD2 4.31Å; L525-L528 HydrophobicContact CD1-CD2 4.46Å; L525-L528 WeakPolarHBondContact O-CB 3.35Å; L525-L528 PolarHBondContact O-N 3.31Å
526I92.2Very high93.9Very high62 Ų6228.4 Ų28.432%0.31815%0.145SC..THydrogen-bonded Turntrans-65.2-18.3-172.765.7172.4000113.9V276 N524V276-I526 HydrophobicContact CG2-CD1 3.61Å; V276-I526 HydrophobicContact CG2-CG1 4.2Å; N524-I526 VanDerWaalsContact C-N 3.26Å; N524-I526 PolarHBondContact O-N 3.08Å
527E94Very high93.9Very high1 Ų131.4 Ų31.41%0.00517%0.165CC..THydrogen-bonded Turntrans-90.4-4.4176.8-57.7-156.5138.200113.7S271 T273 S274 H505 L506 R507 L525 E529 R551S271-E527 WeakPolarHBondContact CB-OE1 3.48Å; S271-E527 PolarHBondContact OG-OE1 3.12Å; T273-E527 PolarHBondContact OG1-OE1 2.68Å; S274-E527 WeakPolarHBondContact CB-OE1 3.37Å; S274-E527 PolarHBondContact OG-OE1 2.94Å; H505-E527 WeakPolarHBondContact CA-OE2 3.18Å; H505-E527 IonicContact ND1-OE2 2.72Å; L506-E527 CarbonylContact O-C 3.51Å; R507-E527 HydrophobicContact CG-CB 4.1Å; R507-E527 WeakPolarHBondContact CG-O 3.46Å; L525-E527 PolarHBondContact O-N 2.96Å; L525-E527 VanDerWaalsContact O-N 3.14Å; E527-E529 PolarHBondContact O-N 3.49Å; E527-R551 IonicContact OE1-NH1 3.09Å
528L95.3Very high93.8Very high0 Ų028 Ų280%014%0.142CC..  trans-65.5124.4-175.4-164.265.6000111.2L506 L509 L522 L525 V531 R551 L552L506-L528 HydrophobicContact CD2-CD1 4.19Å; L506-L528 HydrophobicContact CG-CD1 4.14Å; L506-L528 VanDerWaalsContact O-CA 3.27Å; L506-L528 WeakPolarHBondContact O-CA 3.47Å; L506-L528 WeakPolarHBondContact O-CD1 3.39Å; L506-L528 PolarHBondContact O-N 3.38Å; L509-L528 HydrophobicContact CB-CD1 4.45Å; L522-L528 HydrophobicContact CB-CD2 4.3Å; L522-L528 HydrophobicContact CD1-CD2 4.24Å; L522-L528 HydrophobicContact CD2-CD2 4.21Å; L522-L528 HydrophobicContact CG-CD2 4.48Å; L525-L528 HydrophobicContact CB-CB 4Å; L525-L528 HydrophobicContact CB-CD2 4.31Å; L525-L528 HydrophobicContact CD1-CD2 4.46Å; L525-L528 WeakPolarHBondContact O-CB 3.35Å; L525-L528 PolarHBondContact O-N 3.31Å; L528-V531 HydrophobicContact CD1-CG2 3.99Å; L528-V531 HydrophobicContact CD2-CG2 3.35Å; L528-V531 HydrophobicContact CG-CG2 3.61Å; L528-R551 CarbonylContact O-C 3.51Å; L528-L552 HydrophobicContact CG-CD1 4.41Å; L528-L552 VanDerWaalsContact O-CA 3.22Å; L528-L552 WeakPolarHBondContact O-CA 3.49Å; L528-L552 PolarHBondContact O-N 3.1Å
529E94.6Very high93.6Very high47 Ų4730.1 Ų30.122%0.2215%0.15CC..  trans-115-40.4-175.4-74168-156.100112.1R507 E527 R551 A553 S554R507-E529 IonicContact CZ-OE1 3.63Å; R507-E529 IonicContact CZ-OE2 2.81Å; R507-E529 IonicContact NE-OE1 2.94Å; R507-E529 PolarHBondContact NE-OE1 3.14Å; R507-E529 IonicContact NE-OE2 3.7Å; R507-E529 IonicContact NH2-OE1 3.18Å; R507-E529 PolarHBondContact NH2-OE1 3.01Å; R507-E529 IonicContact NH2-OE2 3.45Å; R507-E529 PolarHBondContact NH2-OE2 3.33Å; R507-E529 WeakPolarHBondContact O-CA 3.22Å; R507-E529 PolarHBondContact O-N 3.01Å; E527-E529 PolarHBondContact O-N 3.49Å; E529-R551 WeakPolarHBondContact CA-O 3.35Å; E529-R551 HydrophobicContact CG-CB 4.12Å; E529-A553 PolarHBondContact O-N 3.35Å; E529-S554 PolarHBondContact O-N 2.87Å
530I94.5Very high93.1Very high36 Ų3633.4 Ų33.419%0.18517%0.167CC..EExtended strand (participates in β ladder)trans-130.9124-174.7-58.5174.7000109.5R507 Q508 L509 S554R507-I530 PolarHBondContact O-N 3.47Å; Q508-I530 CarbonylContact C-O 3.55Å; Q508-I530 WeakPolarHBondContact CA-O 3.15Å; Q508-I530 HydrophobicContact CB-CB 4.41Å; Q508-I530 HydrophobicContact CG-CB 4.02Å; Q508-I530 HydrophobicContact CG-CG2 4.15Å; L509-I530 PolarHBondContact N-O 3.22Å; I530-S554 WeakPolarHBondContact CA-O 3.47Å
531V95.4Very high92.4Very high0 Ų032.5 Ų32.50%017%0.174CC..EExtended strand (participates in β ladder)trans-127.8120.5174.3178.30000109.6L509 L522 L528 L533 L552 S554 L555 L556L509-V531 WeakPolarHBondContact O-CA 3.31Å; L522-V531 HydrophobicContact CD1-CG1 4.38Å; L528-V531 HydrophobicContact CD1-CG2 3.99Å; L528-V531 HydrophobicContact CD2-CG2 3.35Å; L528-V531 HydrophobicContact CG-CG2 3.61Å; V531-L533 HydrophobicContact CG1-CD1 3.66Å; V531-L533 HydrophobicContact CG1-CG 3.75Å; V531-L552 HydrophobicContact CB-CD1 4.32Å; V531-L552 HydrophobicContact CG2-CD1 3.75Å; V531-S554 PolarHBondContact N-O 2.72Å; V531-L555 HydrophobicContact CB-CD1 3.86Å; V531-L555 HydrophobicContact CG1-CD1 3.89Å; V531-L555 CarbonylContact O-C 3.56Å; V531-L555 WeakPolarHBondContact O-CA 3.47Å; V531-L556 PolarHBondContact O-N 3.15Å
532D95.6Very high91.3Very high4 Ų432.5 Ų32.52%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-114.2106.4173.5-160.8-30.9000111.2L509 L510 A511 K512 T534 L556L509-D532 PolarHBondContact O-N 2.87Å; L510-D532 HydrophobicContact CD2-CB 3.89Å; A511-D532 CarbonylContact C-O 3.23Å; A511-D532 WeakPolarHBondContact CA-O 3.22Å; A511-D532 PolarHBondContact N-O 2.8Å; K512-D532 WeakPolarHBondContact CE-OD1 3.35Å; K512-D532 WeakPolarHBondContact CE-OD2 3.35Å; K512-D532 IonicContact NZ-OD2 2.83Å; K512-D532 PolarHBondContact NZ-OD2 3.44Å; D532-T534 WeakPolarHBondContact OD1-CB 3.44Å; D532-T534 PolarHBondContact OD1-N 3.07Å; D532-T534 VanDerWaalsContact OD1-N 3.07Å; D532-T534 PolarHBondContact OD1-OG1 3.27Å; D532-L556 HydrophobicContact CB-CB 4.27Å; D532-L556 HydrophobicContact CB-CD1 4.19Å; D532-L556 WeakPolarHBondContact OD2-CD1 3.48Å
533L95.9Very high90.4Very high0 Ų035.3 Ų35.30%019%0.187CC..  trans-114.124.5179.1-73.3165.8000110.9I497 A511 I516 M519 V531 N536 I538 L556 L557 N560I497-L533 HydrophobicContact CD1-CD2 4.35Å; A511-L533 HydrophobicContact CB-CD2 3.93Å; I516-L533 HydrophobicContact CD1-CD2 3.76Å; I516-L533 HydrophobicContact CG2-CD2 4.46Å; M519-L533 HydrophobicContact CG-CD1 3.71Å; M519-L533 HydrophobicContact SD-CD1 3.79Å; V531-L533 HydrophobicContact CG1-CD1 3.66Å; V531-L533 HydrophobicContact CG1-CG 3.75Å; L533-N536 WeakPolarHBondContact O-CB 3.5Å; L533-N536 PolarHBondContact O-ND2 2.92Å; L533-I538 HydrophobicContact CB-CG1 4.5Å; L533-I538 HydrophobicContact CD1-CD1 4.34Å; L533-I538 HydrophobicContact CD1-CG1 4.4Å; L533-L556 CarbonylContact C-O 3.17Å; L533-L556 PolarHBondContact N-O 2.93Å; L533-L557 HydrophobicContact CB-CD2 3.81Å; L533-L557 HydrophobicContact CD1-CD2 4.17Å; L533-N560 PolarHBondContact O-ND2 3.41Å
534T95.4Very high89.9Confident20 Ų2040.1 Ų40.112%0.12321%0.213CC..  trans-55.1141.4176.5-57.70000111.3K512 C513 D532 N536 L556 R558K512-T534 CarbonylContact C-O 3.47Å; K512-T534 WeakPolarHBondContact CA-O 3.42Å; C513-T534 PolarHBondContact N-O 2.78Å; D532-T534 WeakPolarHBondContact OD1-CB 3.44Å; D532-T534 PolarHBondContact OD1-N 3.07Å; D532-T534 VanDerWaalsContact OD1-N 3.07Å; D532-T534 PolarHBondContact OD1-OG1 3.27Å; T534-N536 PolarHBondContact O-ND2 3.2Å; T534-L556 PolarHBondContact N-O 3.43Å; T534-R558 CarbonylContact C-O 3.59Å; T534-R558 VanDerWaalsContact CA-O 3.3Å; T534-R558 WeakPolarHBondContact CA-O 3.38Å; T534-R558 HydrophobicContact CG2-CB 3.87Å; T534-R558 HydrophobicContact CG2-CG 4.35Å
535D96.4Very high89.7Confident64 Ų6439.6 Ų39.634%0.34221%0.21SC..SBendtrans58.260.9-179.3-60.2-55.8000112.8C513 N514 R558 N559C513-D535 VanDerWaalsContact CA-O 3.26Å; C513-D535 WeakPolarHBondContact CA-O 3.4Å; C513-D535 PolarHBondContact N-O 3.3Å; N514-D535 PolarHBondContact N-O 3.39Å; D535-R558 PolarHBondContact N-O 3.24Å; D535-N559 WeakPolarHBondContact OD1-CB 3.35Å; D535-N559 PolarHBondContact OD1-ND2 3.11Å
536N96.5Very high89.3Confident10 Ų1040.5 Ų40.55%0.05321%0.214CC..SBendtrans-134.3-162.7175.8-84.9-77.9000111A511 N514 R515 I516 L533 T534 I538 N560A511-N536 PolarHBondContact O-ND2 3.04Å; N514-N536 WeakPolarHBondContact CA-OD1 3.14Å; N514-N536 WeakPolarHBondContact CB-OD1 3.39Å; R515-N536 PolarHBondContact N-OD1 2.96Å; I516-N536 HydrophobicContact CB-CB 4.41Å; I516-N536 WeakPolarHBondContact CB-OD1 3.47Å; I516-N536 WeakPolarHBondContact CG1-OD1 3.42Å; I516-N536 PolarHBondContact N-OD1 3.04Å; L533-N536 WeakPolarHBondContact O-CB 3.5Å; L533-N536 PolarHBondContact O-ND2 2.92Å; T534-N536 PolarHBondContact O-ND2 3.2Å; N536-I538 HydrophobicContact CB-CG1 4.3Å; N536-N560 VanDerWaalsContact CA-OD1 3.3Å; N536-N560 WeakPolarHBondContact CA-OD1 3.49Å; N536-N560 WeakPolarHBondContact CB-OD1 3.43Å; N536-N560 PolarHBondContact O-OD1 3.02Å
537C95.2Very high88.9Confident63 Ų6341.6 Ų41.643%0.42623%0.227SC..  trans-118.827.8-177.9-58.40000112.9I516 S517 D539 N560I516-C537 CarbonylContact O-C 3.56Å; I516-C537 VanDerWaalsContact O-C 3.23Å; I516-C537 VanDerWaalsContact O-CA 3.3Å; I516-C537 WeakPolarHBondContact O-CA 3.45Å; I516-C537 PolarHBondContact O-N 3.47Å; S517-C537 WeakPolarHBondContact CA-O 3.39Å; C537-D539 PolarHBondContact O-N 3.42Å; C537-N560 PolarHBondContact N-OD1 3.33Å
538I92.5Very high88.6Confident0 Ų044.9 Ų44.90%025%0.245CC..  trans-68.3128.2-176.7-55.4-64.9000111.4I516 M519 L533 N536 L557 N560 P561 I562I516-I538 HydrophobicContact CB-CD1 4.36Å; I516-I538 HydrophobicContact CG2-CD1 3.8Å; I516-I538 WeakPolarHBondContact O-CD1 3.2Å; I516-I538 PolarHBondContact O-N 2.73Å; M519-I538 HydrophobicContact CG-CD1 4.12Å; L533-I538 HydrophobicContact CB-CG1 4.5Å; L533-I538 HydrophobicContact CD1-CD1 4.34Å; L533-I538 HydrophobicContact CD1-CG1 4.4Å; N536-I538 HydrophobicContact CB-CG1 4.3Å; I538-L557 HydrophobicContact CB-CD2 4.28Å; I538-L557 HydrophobicContact CG1-CD2 4.17Å; I538-L557 HydrophobicContact CG2-CD2 4.19Å; I538-N560 HydrophobicContact CB-CB 4.18Å; I538-N560 WeakPolarHBondContact CB-OD1 3.35Å; I538-N560 WeakPolarHBondContact CG1-OD1 3.44Å; I538-N560 PolarHBondContact N-OD1 3.17Å; I538-P561 WeakPolarHBondContact O-CD 3.12Å; I538-I562 PolarHBondContact O-N 3.12Å; I538-I562 VanDerWaalsContact O-N 3.11Å
539D88.8Confident88.3Confident79 Ų7945.3 Ų45.342%0.42225%0.248SC..  trans-115.7176.2172.6-155.4-3.9000111.4C537 D541 G542C537-D539 PolarHBondContact O-N 3.42Å; D539-D541 PolarHBondContact O-N 3.07Å; D539-D541 VanDerWaalsContact O-N 3.15Å; D539-G542 PolarHBondContact O-N 3.45Å
540I81.8Confident87.9Confident70 Ų7051 Ų5136%0.35927%0.272SS..G310 helixtrans-55-33.5-172.6-164.4176.1000114.1G542 F543 F568I540-G542 PolarHBondContact O-N 3.32Å; I540-F543 PolarHBondContact O-N 2.74Å; I540-F568 HydrophobicContact CD1-CE2 3.53Å; I540-F568 HydrophobicContact CD1-CZ 3.94Å; I540-F568 HydrophobicContact CG1-CE2 3.77Å; I540-F568 HydrophobicContact CG1-CZ 4.15Å
541D78Confident87.8Confident140 Ų14053.6 Ų53.675%0.74928%0.279SS*.G310 helixtrans-61.9-13.7-177.3-68.2-26.3000113.2D539D539-D541 PolarHBondContact O-N 3.07Å; D539-D541 VanDerWaalsContact O-N 3.15Å
542G69.1Low87.5Confident2 Ų254.1 Ų54.12%0.02128%0.282CS..G310 helixtrans-76.7-20-179.200000116.1M519 D539 I540 L544 Q545M519-G542 VanDerWaalsContact CE-C 3.45Å; M519-G542 VanDerWaalsContact CE-O 3.25Å; M519-G542 WeakPolarHBondContact CE-O 3.49Å; D539-G542 PolarHBondContact O-N 3.45Å; I540-G542 PolarHBondContact O-N 3.32Å; G542-L544 PolarHBondContact O-N 3.08Å; G542-Q545 VanDerWaalsContact O-CB 3.27Å; G542-Q545 WeakPolarHBondContact O-CB 3.36Å; G542-Q545 WeakPolarHBondContact O-CG 3.23Å; G542-Q545 PolarHBondContact O-N 3.18Å; G542-Q545 PolarHBondContact O-OE1 3.18Å
543F74.8Confident87.3Confident58 Ų5854.6 Ų54.625%0.25429%0.287SS..G310 helixtrans-74.9-28.5-163.7-82.6-100.6000115.4M519 I540 Q545 L546 L555 L557 I562 I573 F574M519-F543 HydrophobicContact CE-CD1 4.36Å; M519-F543 HydrophobicContact CE-CD2 3.96Å; M519-F543 HydrophobicContact CE-CE2 4.03Å; M519-F543 HydrophobicContact CE-CG 4.11Å; M519-F543 HydrophobicContact CE-CZ 4.38Å; I540-F543 PolarHBondContact O-N 2.74Å; F543-Q545 PolarHBondContact O-N 2.93Å; F543-L546 PolarHBondContact O-N 3.34Å; F543-L546 VanDerWaalsContact O-N 3.1Å; F543-L555 HydrophobicContact CE1-CD2 4.15Å; F543-L557 HydrophobicContact CE1-CD1 4.14Å; F543-L557 HydrophobicContact CE2-CD1 4.28Å; F543-L557 HydrophobicContact CZ-CD1 3.45Å; F543-L557 VanDerWaalsContact CZ-CD1 3.45Å; F543-I562 HydrophobicContact CD2-CD1 3.78Å; F543-I562 HydrophobicContact CE2-CD1 3Å; F543-I562 HydrophobicContact CE2-CG1 4.4Å; F543-I562 HydrophobicContact CZ-CD1 3.5Å; F543-I562 VanDerWaalsContact CZ-CD1 3.5Å; F543-I573 HydrophobicContact CE1-CD1 4.47Å; F543-F574 HydrophobicContact CZ-CZ 4.31Å
544L79.6Confident87Confident149 Ų14955.1 Ų55.178%0.7829%0.29SS*.G310 helixtrans-56.6-23174.8-71.3169.3000111.9G542 L546 S547G542-L544 PolarHBondContact O-N 3.08Å; L544-L546 VanDerWaalsContact C-N 3.26Å; L544-L546 PolarHBondContact O-N 3.17Å; L544-S547 WeakPolarHBondContact O-CB 3.23Å; L544-S547 PolarHBondContact O-N 3.44Å; L544-S547 PolarHBondContact O-OG 3.4Å
545Q84.9Confident86.8Confident27 Ų2754.3 Ų54.313%0.12629%0.285CS..G310 helixtrans-78.8-6.1-175.7-54.5170.1-4900113.6S518 M519 R520 L522 E523 G542 F543S518-Q545 PolarHBondContact OG-NE2 3.29Å; S518-Q545 PolarHBondContact OG-OE1 3.14Å; M519-Q545 VanDerWaalsContact CA-OE1 3.28Å; M519-Q545 HydrophobicContact CB-CB 4.19Å; R520-Q545 VanDerWaalsContact CA-NE2 3.26Å; L522-Q545 CarbonylContact C-O 3.52Å; E523-Q545 WeakPolarHBondContact CA-O 3.04Å; E523-Q545 HydrophobicContact CG-CB 3.85Å; E523-Q545 HydrophobicContact CG-CG 4.23Å; E523-Q545 PolarHBondContact N-O 2.91Å; E523-Q545 WeakPolarHBondContact OE1-CG 3.02Å; E523-Q545 PolarHBondContact OE1-NE2 2.94Å; G542-Q545 VanDerWaalsContact O-CB 3.27Å; G542-Q545 WeakPolarHBondContact O-CB 3.36Å; G542-Q545 WeakPolarHBondContact O-CG 3.23Å; G542-Q545 PolarHBondContact O-N 3.18Å; G542-Q545 PolarHBondContact O-OE1 3.18Å; F543-Q545 PolarHBondContact O-N 2.93Å
546L85.7Confident86.5Confident19 Ų1952.1 Ų52.110%0.09927%0.273CS..G310 helixtrans-103.71.8174.4-62.8179.4000113M519 L522 F543 L544 N548 C549 L552 L555M519-L546 HydrophobicContact CE-CD1 3.7Å; M519-L546 HydrophobicContact CE-CG 4.01Å; M519-L546 HydrophobicContact SD-CD1 3.61Å; M519-L546 HydrophobicContact SD-CD2 4.3Å; M519-L546 HydrophobicContact SD-CG 4Å; L522-L546 HydrophobicContact CB-CD2 4Å; L522-L546 HydrophobicContact CD1-CD2 3.91Å; F543-L546 PolarHBondContact O-N 3.34Å; F543-L546 VanDerWaalsContact O-N 3.1Å; L544-L546 VanDerWaalsContact C-N 3.26Å; L544-L546 PolarHBondContact O-N 3.17Å; L546-N548 PolarHBondContact O-N 3.21Å; L546-N548 VanDerWaalsContact O-N 3.12Å; L546-C549 WeakPolarHBondContact O-CB 3.43Å; L546-C549 PolarHBondContact O-N 3.32Å; L546-L552 HydrophobicContact CD1-CD2 3.95Å; L546-L555 HydrophobicContact CD1-CD1 4.24Å; L546-L555 HydrophobicContact CD1-CD2 3.62Å
547S83.5Confident86.3Confident84 Ų8451.7 Ų51.759%0.58727%0.271SS*.THydrogen-bonded Turntrans-59.7-27.4-170.452.80000115L544L544-S547 WeakPolarHBondContact O-CB 3.23Å; L544-S547 PolarHBondContact O-N 3.44Å; L544-S547 PolarHBondContact O-OG 3.4Å
548N86.8Confident86Confident71 Ų7155.5 Ų55.538%0.3828%0.277SS..THydrogen-bonded Turntrans-97.9-2.4176-54.7-51.4000114.1E523 L546 K550E523-N548 VanDerWaalsContact O-CB 3.28Å; E523-N548 WeakPolarHBondContact O-CB 3.13Å; E523-N548 PolarHBondContact O-ND2 3.24Å; L546-N548 PolarHBondContact O-N 3.21Å; L546-N548 VanDerWaalsContact O-N 3.12Å; N548-K550 PolarHBondContact O-N 3.19Å
549C89.6Confident86Confident8 Ų859.9 Ų59.95%0.05430%0.3CS..  trans-7763.4179.4-58.80000110.7L522 L546 R551 L552L522-C549 PolarHBondContact O-SG 3.18Å; L546-C549 WeakPolarHBondContact O-CB 3.43Å; L546-C549 PolarHBondContact O-N 3.32Å; C549-R551 PolarHBondContact O-N 3.02Å; C549-R551 VanDerWaalsContact O-N 3.08Å; C549-L552 HydrophobicContact CB-CB 4.04Å; C549-L552 WeakPolarHBondContact O-CB 3.25Å; C549-L552 PolarHBondContact O-N 3.4Å
550K86.8Confident86.1Confident168 Ų16856.3 Ų56.373%0.7328%0.281SS*.THydrogen-bonded Turntrans-65.3-14.6-171.4-64.4179-176.6177.20114.5N548 P589N548-K550 PolarHBondContact O-N 3.19Å; K550-P589 WeakPolarHBondContact O-CB 3.39Å
551R90.8Very high86.6Confident90 Ų9055.7 Ų55.734%0.3428%0.281SS..THydrogen-bonded Turntrans-96.8-0.9175.9-67.7-170.2177.6171-0.8113T273 E527 L528 E529 C549 A553T273-R551 PolarHBondContact OG1-NH1 3.18Å; E527-R551 IonicContact OE1-NH1 3.09Å; L528-R551 CarbonylContact O-C 3.51Å; E529-R551 WeakPolarHBondContact CA-O 3.35Å; E529-R551 HydrophobicContact CG-CB 4.12Å; C549-R551 PolarHBondContact O-N 3.02Å; C549-R551 VanDerWaalsContact O-N 3.08Å; R551-A553 PolarHBondContact O-N 3.08Å
552L90.9Very high87.1Confident10 Ų1049 Ų495%0.05225%0.245CC..  trans-63.1114.4-177.2-171.569.9000109.2L528 V531 L546 C549 L555 P589 L590L528-L552 HydrophobicContact CG-CD1 4.41Å; L528-L552 VanDerWaalsContact O-CA 3.22Å; L528-L552 WeakPolarHBondContact O-CA 3.49Å; L528-L552 PolarHBondContact O-N 3.1Å; V531-L552 HydrophobicContact CB-CD1 4.32Å; V531-L552 HydrophobicContact CG2-CD1 3.75Å; L546-L552 HydrophobicContact CD1-CD2 3.95Å; C549-L552 HydrophobicContact CB-CB 4.04Å; C549-L552 WeakPolarHBondContact O-CB 3.25Å; C549-L552 PolarHBondContact O-N 3.4Å; L552-L555 HydrophobicContact CD2-CB 4.32Å; L552-P589 CarbonylContact O-C 3.13Å; L552-P589 WeakPolarHBondContact O-CA 3.42Å; L552-L590 WeakPolarHBondContact O-CB 3.46Å; L552-L590 PolarHBondContact O-N 2.73Å
553A90Very high87.9Confident15 Ų1550.2 Ų50.212%0.12425%0.253CS..  trans-110-24.5-177.300000112E529 R551 Q587E529-A553 PolarHBondContact O-N 3.35Å; R551-A553 PolarHBondContact O-N 3.08Å; A553-Q587 HydrophobicContact CB-CB 3.74Å
554S90.2Very high88.4Confident10 Ų1055.5 Ų55.57%0.0728%0.279CS..EExtended strand (participates in β ladder)trans-138.8127.3177.2-172.10000111.6E529 I530 V531E529-S554 PolarHBondContact O-N 2.87Å; I530-S554 WeakPolarHBondContact CA-O 3.47Å; V531-S554 PolarHBondContact N-O 2.72Å
555L90.8Very high88.6Confident3 Ų350.7 Ų50.72%0.01625%0.254CS..EExtended strand (participates in β ladder)trans-128.8117.6173.1178.360.7000107.9M519 V531 F543 L546 L552 L557 I573 L590M519-L555 HydrophobicContact SD-CD1 4.48Å; V531-L555 HydrophobicContact CB-CD1 3.86Å; V531-L555 HydrophobicContact CG1-CD1 3.89Å; V531-L555 CarbonylContact O-C 3.56Å; V531-L555 WeakPolarHBondContact O-CA 3.47Å; F543-L555 HydrophobicContact CE1-CD2 4.15Å; L546-L555 HydrophobicContact CD1-CD1 4.24Å; L546-L555 HydrophobicContact CD1-CD2 3.62Å; L552-L555 HydrophobicContact CD2-CB 4.32Å; L555-L557 HydrophobicContact CD1-CD1 4.27Å; L555-L557 HydrophobicContact CD1-CD2 4.44Å; L555-L557 HydrophobicContact CD1-CG 4.1Å; L555-L557 HydrophobicContact CD2-CD1 3.76Å; L555-L557 HydrophobicContact CD2-CG 4.44Å; L555-L557 HydrophobicContact CG-CD1 3.83Å; L555-L557 HydrophobicContact CG-CG 3.97Å; L555-I573 HydrophobicContact CB-CG2 4.24Å; L555-I573 HydrophobicContact CD2-CD1 4.35Å; L555-I573 WeakPolarHBondContact O-CA 3.5Å; L555-I573 WeakPolarHBondContact O-CB 3.47Å; L555-I573 VanDerWaalsContact O-O 3.07Å; L555-L590 HydrophobicContact CB-CD2 4.48Å
556L91.1Very high88.3Confident19 Ų1953.4 Ų53.410%0.09928%0.281CS..EExtended strand (participates in β ladder)trans-112.1115.4-178.9-58.8172.6000109.3V531 D532 L533 T534V531-L556 PolarHBondContact O-N 3.15Å; D532-L556 HydrophobicContact CB-CB 4.27Å; D532-L556 HydrophobicContact CB-CD1 4.19Å; D532-L556 WeakPolarHBondContact OD2-CD1 3.48Å; L533-L556 CarbonylContact C-O 3.17Å; L533-L556 PolarHBondContact N-O 2.93Å; T534-L556 PolarHBondContact N-O 3.43Å
557L91.1Very high88Confident0 Ų059.7 Ų59.70%031%0.31CS..  trans-12517.3-172.7-74.8169.6000113.4L533 I538 F543 L555 N560 C563 I573 F574L533-L557 HydrophobicContact CB-CD2 3.81Å; L533-L557 HydrophobicContact CD1-CD2 4.17Å; I538-L557 HydrophobicContact CB-CD2 4.28Å; I538-L557 HydrophobicContact CG1-CD2 4.17Å; I538-L557 HydrophobicContact CG2-CD2 4.19Å; F543-L557 HydrophobicContact CE1-CD1 4.14Å; F543-L557 HydrophobicContact CE2-CD1 4.28Å; F543-L557 HydrophobicContact CZ-CD1 3.45Å; F543-L557 VanDerWaalsContact CZ-CD1 3.45Å; L555-L557 HydrophobicContact CD1-CD1 4.27Å; L555-L557 HydrophobicContact CD1-CD2 4.44Å; L555-L557 HydrophobicContact CD1-CG 4.1Å; L555-L557 HydrophobicContact CD2-CD1 3.76Å; L555-L557 HydrophobicContact CD2-CG 4.44Å; L555-L557 HydrophobicContact CG-CD1 3.83Å; L555-L557 HydrophobicContact CG-CG 3.97Å; L557-N560 WeakPolarHBondContact O-CB 3.1Å; L557-N560 PolarHBondContact O-N 3.16Å; L557-N560 PolarHBondContact O-ND2 3.41Å; L557-C563 PolarHBondContact O-SG 3.04Å; L557-I573 PolarHBondContact N-O 3.01Å; L557-F574 HydrophobicContact CB-CD1 3.58Å; L557-F574 HydrophobicContact CB-CE1 3.49Å; L557-F574 VanDerWaalsContact CB-CE1 3.49Å; L557-F574 HydrophobicContact CD1-CD1 4.49Å; L557-F574 HydrophobicContact CD1-CE1 3.65Å; L557-F574 HydrophobicContact CD1-CZ 4.18Å; L557-F574 HydrophobicContact CG-CE1 4.24Å
558R90.2Very high87.6Confident144 Ų14457.8 Ų57.854%0.54329%0.291SS..THydrogen-bonded Turntrans-53.5145.7-177.7178.1174.3-179.4147.30.2111.4T534 D535 N560T534-R558 CarbonylContact C-O 3.59Å; T534-R558 VanDerWaalsContact CA-O 3.3Å; T534-R558 WeakPolarHBondContact CA-O 3.38Å; T534-R558 HydrophobicContact CG2-CB 3.87Å; T534-R558 HydrophobicContact CG2-CG 4.35Å; D535-R558 PolarHBondContact N-O 3.24Å; R558-N560 VanDerWaalsContact C-N 3.28Å; R558-N560 PolarHBondContact O-N 2.94Å; R558-N560 PolarHBondContact O-ND2 2.68Å
559N91.1Very high86.7Confident91 Ų9160.2 Ų60.249%0.48730%0.298SS..THydrogen-bonded Turntrans57.535.1179.5-57.3-20.6000114.4D535D535-N559 WeakPolarHBondContact OD1-CB 3.35Å; D535-N559 PolarHBondContact OD1-ND2 3.11Å
560N92.2Very high85.8Confident5 Ų566.1 Ų66.13%0.02733%0.329CS..SBendtrans-105156.7166.7-77.7-89.5000111.1L533 N536 C537 I538 L557 R558 I562 C563L533-N560 PolarHBondContact O-ND2 3.41Å; N536-N560 VanDerWaalsContact CA-OD1 3.3Å; N536-N560 WeakPolarHBondContact CA-OD1 3.49Å; N536-N560 WeakPolarHBondContact CB-OD1 3.43Å; N536-N560 PolarHBondContact O-OD1 3.02Å; C537-N560 PolarHBondContact N-OD1 3.33Å; I538-N560 HydrophobicContact CB-CB 4.18Å; I538-N560 WeakPolarHBondContact CB-OD1 3.35Å; I538-N560 WeakPolarHBondContact CG1-OD1 3.44Å; I538-N560 PolarHBondContact N-OD1 3.17Å; L557-N560 WeakPolarHBondContact O-CB 3.1Å; L557-N560 PolarHBondContact O-N 3.16Å; L557-N560 PolarHBondContact O-ND2 3.41Å; R558-N560 VanDerWaalsContact C-N 3.28Å; R558-N560 PolarHBondContact O-N 2.94Å; R558-N560 PolarHBondContact O-ND2 2.68Å; N560-I562 HydrophobicContact CB-CG2 4.01Å; N560-I562 PolarHBondContact O-N 3.2Å; N560-C563 VanDerWaalsContact O-CB 3.3Å; N560-C563 WeakPolarHBondContact O-CB 3.48Å; N560-C563 PolarHBondContact O-N 3.46Å
561P91.6Very high84.9Confident56 Ų5661.8 Ų61.836%0.36431%0.314SS..G310 helixtrans-48-40.8173.4-29.935000113.9I538 C563 Q564I538-P561 WeakPolarHBondContact O-CD 3.12Å; P561-C563 PolarHBondContact O-N 3.04Å; P561-C563 VanDerWaalsContact O-N 3.13Å; P561-Q564 WeakPolarHBondContact O-CB 3.21Å; P561-Q564 PolarHBondContact O-N 2.84Å
562I87.8Confident83.8Confident0 Ų060.7 Ų60.70%032%0.318CS..G310 helixtrans-58.2-28.7178.7-170170000114I538 F543 N560 Q564 N565 F568 F574I538-I562 PolarHBondContact O-N 3.12Å; I538-I562 VanDerWaalsContact O-N 3.11Å; F543-I562 HydrophobicContact CD2-CD1 3.78Å; F543-I562 HydrophobicContact CE2-CD1 3Å; F543-I562 HydrophobicContact CE2-CG1 4.4Å; F543-I562 HydrophobicContact CZ-CD1 3.5Å; F543-I562 VanDerWaalsContact CZ-CD1 3.5Å; N560-I562 HydrophobicContact CB-CG2 4.01Å; N560-I562 PolarHBondContact O-N 3.2Å; I562-Q564 PolarHBondContact O-N 3.41Å; I562-Q564 VanDerWaalsContact O-N 3.07Å; I562-N565 VanDerWaalsContact O-CB 3.25Å; I562-N565 WeakPolarHBondContact O-CB 3.44Å; I562-N565 PolarHBondContact O-N 3.38Å; I562-F568 HydrophobicContact CD1-CD2 3.8Å; I562-F568 HydrophobicContact CD1-CE2 4.23Å; I562-F568 HydrophobicContact CD1-CG 4.15Å; I562-F568 HydrophobicContact CG1-CB 4.26Å; I562-F568 HydrophobicContact CG1-CD2 3.73Å; I562-F568 HydrophobicContact CG1-CE2 4.47Å; I562-F568 HydrophobicContact CG1-CG 4.19Å; I562-F574 HydrophobicContact CD1-CZ 4.26Å; I562-F574 HydrophobicContact CG1-CZ 4.37Å; I562-F574 HydrophobicContact CG2-CE1 3.67Å; I562-F574 HydrophobicContact CG2-CZ 4.26Å
563C85.9Confident82.7Confident27 Ų2761 Ų6118%0.18232%0.319CS..G310 helixtrans-63.4-17.1177.8-61.10000113L557 N560 P561 F574L557-C563 PolarHBondContact O-SG 3.04Å; N560-C563 VanDerWaalsContact O-CB 3.3Å; N560-C563 WeakPolarHBondContact O-CB 3.48Å; N560-C563 PolarHBondContact O-N 3.46Å; P561-C563 PolarHBondContact O-N 3.04Å; P561-C563 VanDerWaalsContact O-N 3.13Å; C563-F574 WeakPolarHBondContact SG-CD1 3.4Å
564Q85.5Confident81.3Confident169 Ų16960.7 Ų60.779%0.7932%0.316SS*.G310 helixtrans-84-16175.6-56.4-177.710.300112.4P561 I562 A566P561-Q564 WeakPolarHBondContact O-CB 3.21Å; P561-Q564 PolarHBondContact O-N 2.84Å; I562-Q564 PolarHBondContact O-N 3.41Å; I562-Q564 VanDerWaalsContact O-N 3.07Å; Q564-A566 PolarHBondContact O-N 3.45Å
565N83.3Confident79.6Confident49 Ų4965.6 Ų65.626%0.26234%0.337SS..SBendtrans-70126.2177.5-174.8-37.6000110I562 E567 F568 K569I562-N565 VanDerWaalsContact O-CB 3.25Å; I562-N565 WeakPolarHBondContact O-CB 3.44Å; I562-N565 PolarHBondContact O-N 3.38Å; N565-E567 PolarHBondContact O-N 2.98Å; N565-E567 WeakPolarHBondContact OD1-CB 3.44Å; N565-E567 PolarHBondContact OD1-N 2.89Å; N565-F568 HydrophobicContact CB-CD2 3.81Å; N565-F568 PolarHBondContact O-N 3.21Å; N565-F568 VanDerWaalsContact O-N 3.13Å; N565-K569 WeakPolarHBondContact O-CB 3.47Å; N565-K569 PolarHBondContact O-N 3.35Å
566A80Confident77.8Confident84 Ų8467.1 Ų67.169%0.69435%0.353SS*.THydrogen-bonded Turntrans-59.6-30.2-175.200000113.5Q564Q564-A566 PolarHBondContact O-N 3.45Å
567E78.3Confident75.6Confident151 Ų15170.4 Ų70.471%0.70638%0.378SS*.THydrogen-bonded Turntrans-71.4-33.2179.5-63.5-174168.900112.2N565N565-E567 PolarHBondContact O-N 2.98Å; N565-E567 WeakPolarHBondContact OD1-CB 3.44Å; N565-E567 PolarHBondContact OD1-N 2.89Å
568F74.6Confident73.4Confident43 Ų4375.5 Ų75.519%0.18940%0.401CS..THydrogen-bonded Turntrans-102.6-23-171.3-60.5-59.6000113.7I540 I562 N565 N570 L571 F574I540-F568 HydrophobicContact CD1-CE2 3.53Å; I540-F568 HydrophobicContact CD1-CZ 3.94Å; I540-F568 HydrophobicContact CG1-CE2 3.77Å; I540-F568 HydrophobicContact CG1-CZ 4.15Å; I562-F568 HydrophobicContact CD1-CD2 3.8Å; I562-F568 HydrophobicContact CD1-CE2 4.23Å; I562-F568 HydrophobicContact CD1-CG 4.15Å; I562-F568 HydrophobicContact CG1-CB 4.26Å; I562-F568 HydrophobicContact CG1-CD2 3.73Å; I562-F568 HydrophobicContact CG1-CE2 4.47Å; I562-F568 HydrophobicContact CG1-CG 4.19Å; N565-F568 HydrophobicContact CB-CD2 3.81Å; N565-F568 PolarHBondContact O-N 3.21Å; N565-F568 VanDerWaalsContact O-N 3.13Å; F568-N570 PolarHBondContact O-N 3.26Å; F568-L571 HydrophobicContact CD1-CD1 3.9Å; F568-L571 PolarHBondContact O-N 3.33Å; F568-F574 HydrophobicContact CB-CD2 4.45Å; F568-F574 HydrophobicContact CB-CE2 3.59Å; F568-F574 HydrophobicContact CB-CZ 3.89Å; F568-F574 WeakPolarHBondContact O-CD2 3.37Å; F568-F574 WeakPolarHBondContact O-CE2 3.43Å
569K69.7Low71Confident122 Ų12277 Ų7753%0.5341%0.412SS..THydrogen-bonded Turntrans-49.6-25.6-173-176.4175178.1-178.30115.3N565 H575N565-K569 WeakPolarHBondContact O-CB 3.47Å; N565-K569 PolarHBondContact O-N 3.35Å; K569-H575 PolarHBondContact O-NE2 3.33Å
570N69.1Low68.6Low133 Ų13374.4 Ų74.471%0.71140%0.401SS*.THydrogen-bonded Turntrans-101.1-0.3-177.2-62-33.3000114.6F568F568-N570 PolarHBondContact O-N 3.26Å
571L69.6Low66Low76 Ų7678.2 Ų78.240%0.39843%0.429SS..SBendtrans-72.1141.7179.7-61179000111.4F568 I573 F574F568-L571 HydrophobicContact CD1-CD1 3.9Å; F568-L571 PolarHBondContact O-N 3.33Å; L571-I573 HydrophobicContact CB-CD1 4.41Å; L571-I573 HydrophobicContact CB-CG1 3.83Å; L571-I573 HydrophobicContact CD1-CD1 4.32Å; L571-I573 PolarHBondContact O-N 3Å; L571-I573 VanDerWaalsContact O-N 3.13Å; L571-F574 HydrophobicContact CB-CD2 3.74Å; L571-F574 HydrophobicContact CB-CE2 3.83Å; L571-F574 HydrophobicContact CD1-CE2 4.08Å; L571-F574 HydrophobicContact CG-CE2 4.32Å; L571-F574 PolarHBondContact O-N 2.98Å
572P66.2Low63.4Low67 Ų6781 Ų8144%0.43545%0.447SS..G310 helixtrans-55.4-32.2-177.8-27.134.3000114.7F574 H575 G576P572-F574 PolarHBondContact O-N 2.91Å; P572-F574 VanDerWaalsContact O-N 3.09Å; P572-H575 PolarHBondContact O-N 3.38Å; P572-G576 PolarHBondContact O-N 2.84Å
573I68.2Low61.3Low16 Ų1684.4 Ų84.48%0.08248%0.482CS..G310 helixtrans-58.1-19.7176.856.8172.9000114F543 L555 L557 L571 L590F543-I573 HydrophobicContact CE1-CD1 4.47Å; L555-I573 HydrophobicContact CB-CG2 4.24Å; L555-I573 HydrophobicContact CD2-CD1 4.35Å; L555-I573 WeakPolarHBondContact O-CA 3.5Å; L555-I573 WeakPolarHBondContact O-CB 3.47Å; L555-I573 VanDerWaalsContact O-O 3.07Å; L557-I573 PolarHBondContact N-O 3.01Å; L571-I573 HydrophobicContact CB-CD1 4.41Å; L571-I573 HydrophobicContact CB-CG1 3.83Å; L571-I573 HydrophobicContact CD1-CD1 4.32Å; L571-I573 PolarHBondContact O-N 3Å; L571-I573 VanDerWaalsContact O-N 3.13Å; I573-L590 HydrophobicContact CG2-CD1 3.32Å; I573-L590 HydrophobicContact CG2-CD2 3.91Å; I573-L590 HydrophobicContact CG2-CG 4.24Å
574F61Low59.1Low10 Ų1088.9 Ų88.94%0.04450%0.5CS..G310 helixtrans-96.1-15178.2-58.5-68.3000114F543 L557 I562 C563 F568 L571 P572F543-F574 HydrophobicContact CZ-CZ 4.31Å; L557-F574 HydrophobicContact CB-CD1 3.58Å; L557-F574 HydrophobicContact CB-CE1 3.49Å; L557-F574 VanDerWaalsContact CB-CE1 3.49Å; L557-F574 HydrophobicContact CD1-CD1 4.49Å; L557-F574 HydrophobicContact CD1-CE1 3.65Å; L557-F574 HydrophobicContact CD1-CZ 4.18Å; L557-F574 HydrophobicContact CG-CE1 4.24Å; I562-F574 HydrophobicContact CD1-CZ 4.26Å; I562-F574 HydrophobicContact CG1-CZ 4.37Å; I562-F574 HydrophobicContact CG2-CE1 3.67Å; I562-F574 HydrophobicContact CG2-CZ 4.26Å; C563-F574 WeakPolarHBondContact SG-CD1 3.4Å; F568-F574 HydrophobicContact CB-CD2 4.45Å; F568-F574 HydrophobicContact CB-CE2 3.59Å; F568-F574 HydrophobicContact CB-CZ 3.89Å; F568-F574 WeakPolarHBondContact O-CD2 3.37Å; F568-F574 WeakPolarHBondContact O-CE2 3.43Å; L571-F574 HydrophobicContact CB-CD2 3.74Å; L571-F574 HydrophobicContact CB-CE2 3.83Å; L571-F574 HydrophobicContact CD1-CE2 4.08Å; L571-F574 HydrophobicContact CG-CE2 4.32Å; L571-F574 PolarHBondContact O-N 2.98Å; P572-F574 PolarHBondContact O-N 2.91Å; P572-F574 VanDerWaalsContact O-N 3.09Å
575H55.4Low57.1Low113 Ų11390.6 Ų90.652%0.52350%0.504SS..THydrogen-bonded Turntrans-106.2-4.7-174.7-68.9-70.9000114.2K569 P572 S577K569-H575 PolarHBondContact O-NE2 3.33Å; P572-H575 PolarHBondContact O-N 3.38Å; H575-S577 VanDerWaalsContact C-N 3.3Å; H575-S577 PolarHBondContact O-N 3.28Å
576G51.9Low55.1Low34 Ų3495.6 Ų95.635%0.35153%0.531SS..THydrogen-bonded Turntrans71.319.1171.100000114.9P572 H578P572-G576 PolarHBondContact O-N 2.84Å; G576-H578 PolarHBondContact O-N 3.5Å
577S45.9Very low53.7Low88 Ų8894.7 Ų94.762%0.61551%0.513SS*.  trans-79.74.8-178.959.60000114.8H575H575-S577 VanDerWaalsContact C-N 3.3Å; H575-S577 PolarHBondContact O-N 3.28Å
578H44Very low52.4Low107 Ų10793.6 Ų93.650%0.49552%0.517SS..  trans-106.973.2169.2-78.5-66.2000110.1G576G576-H578 PolarHBondContact O-N 3.5Å
579F39.9Very low51.5Low175 Ų17595 Ų9577%0.76853%0.53SS*.  trans-10192.8155.7-114.8-85.7000106.7
580S40.6Very low51.1Low37 Ų3795.8 Ų95.826%0.25954%0.539SS..PPolyproline II helixtrans-101.4138.7151.57.50000107.9E584 Q587S580-E584 WeakPolarHBondContact CB-OE2 3.4Å; S580-E584 PolarHBondContact OG-OE2 3.07Å; S580-Q587 PolarHBondContact OG-NE2 3.49Å
581S38.6Very low50.2Low86 Ų8694 Ų9460%0.60153%0.531SS*.PPolyproline II helixtrans-56151-174.9-47.50000111.9G583S581-G583 PolarHBondContact O-N 3.18Å; S581-G583 VanDerWaalsContact O-N 3.08Å
582P36.3Very low49.2Very low115 Ų11594.9 Ų94.975%0.74754%0.538SS*.THydrogen-bonded Turntrans-55118.5175.5-17.828.5000109.8
583G43Very low48.2Very low71 Ų7196.4 Ų96.473%0.73254%0.544SS*.THydrogen-bonded Turntrans118.50.4174.700000117.5S581 K585S581-G583 PolarHBondContact O-N 3.18Å; S581-G583 VanDerWaalsContact O-N 3.08Å; G583-K585 PolarHBondContact O-N 3.27Å; G583-K585 VanDerWaalsContact O-N 3.08Å
584E40.3Very low47Very low121 Ų121101.2 Ų101.257%0.56557%0.571SS**  trans-69.6104.2168.5-80.6-172.5171.700110.7S580 N586S580-E584 WeakPolarHBondContact CB-OE2 3.4Å; S580-E584 PolarHBondContact OG-OE2 3.07Å; E584-N586 PolarHBondContact O-N 3.12Å
585K42.5Very low46.2Very low204 Ų204106.9 Ų106.989%0.88760%0.604SS**THydrogen-bonded Turntrans-62.6-4.4-173.3-72.4-175.3175.6-177.40116.3G583G583-K585 PolarHBondContact O-N 3.27Å; G583-K585 VanDerWaalsContact O-N 3.08Å
586N42.1Very low45.6Very low154 Ų154106.5 Ų106.582%0.82461%0.609SS**THydrogen-bonded Turntrans-131.848.2-170.3-73.5-11.6000113.1E584E584-N586 PolarHBondContact O-N 3.12Å
587Q50.7Low45.1Very low65 Ų65111.6 Ų111.630%0.30463%0.627SS.*PPolyproline II helixtrans-78.8127.9165.6-67.7-177.6-1000109.6A553 S580A553-Q587 HydrophobicContact CB-CB 3.74Å; S580-Q587 PolarHBondContact OG-NE2 3.49Å
588T50.9Low45Very low129 Ų129113.5 Ų113.579%0.79163%0.628SS**PPolyproline II helixtrans-66.4127.8168.7-15.50000108.1
589P54.8Low45.1Very low73 Ų73114 Ų11447%0.47464%0.639SS.*PPolyproline II helixtrans-55146.4172.9-24.333.9000111.5K550 L552K550-P589 WeakPolarHBondContact O-CB 3.39Å; L552-P589 CarbonylContact O-C 3.13Å; L552-P589 WeakPolarHBondContact O-CA 3.42Å
590L61.8Low45.6Very low138 Ų138108.5 Ų108.572%0.72363%0.628SS**  trans-60.80-177.8-166.891.5000112.8L552 L555 I573L552-L590 WeakPolarHBondContact O-CB 3.46Å; L552-L590 PolarHBondContact O-N 2.73Å; L555-L590 HydrophobicContact CB-CD2 4.48Å; I573-L590 HydrophobicContact CG2-CD1 3.32Å; I573-L590 HydrophobicContact CG2-CD2 3.91Å; I573-L590 HydrophobicContact CG2-CG 4.24Å

Retrieved 590 of 590 residues in 866 ms (Link to these results)

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