A0A077YY08_TRITR Loading...

Inhibitor of growth protein

Component of an histone acetyltransferase complex.

AlphaFold DB , UniProt , Accession A0A077YY08, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 276 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
1M56.6Low74.7Confident150 Ų15090.9 Ų90.974%0.73950%0.5SS*.  0130.90-79.1-157.717500108I3 R105M1-I3 PolarHBondContact O-N 3.3Å; M1-R105 HydrophobicContact CE-CB 4.05Å; M1-R105 HydrophobicContact CE-CG 4.34Å; M1-R105 HydrophobicContact SD-CB 4.11Å
2P63.9Low75.7Confident129 Ų12993.3 Ų93.384%0.83850%0.504SS*.  trans-68.4114.4167.928.4-28.6000107.2S4P2-S4 PolarHBondContact O-N 3.38Å
3I64.7Low76.5Confident95 Ų9593.8 Ų93.849%0.48750%0.502SS..  trans-55.1123.9160.5-61.4171.8000104.3M1 D5 F7 L102M1-I3 PolarHBondContact O-N 3.3Å; I3-D5 PolarHBondContact O-N 3.17Å; I3-D5 VanDerWaalsContact O-N 3.13Å; I3-F7 HydrophobicContact CG2-CD1 4.06Å; I3-L102 HydrophobicContact CG1-CD2 4.23Å
4S72.8Confident77.1Confident63 Ų6389.5 Ų89.544%0.44148%0.478SS..  trans-58.7124.1179.758.30000108P2 T6 F7P2-S4 PolarHBondContact O-N 3.38Å; S4-T6 VanDerWaalsContact CB-OG1 3.26Å; S4-T6 WeakPolarHBondContact CB-OG1 3.47Å; S4-T6 PolarHBondContact O-N 3.49Å; S4-T6 PolarHBondContact OG-OG1 3.37Å; S4-F7 WeakPolarHBondContact O-CB 3.39Å; S4-F7 PolarHBondContact O-N 3.07Å; S4-F7 WeakPolarHBondContact OG-CB 3.33Å; S4-F7 PolarHBondContact OG-N 3.15Å
5D76.8Confident77.9Confident133 Ų13388.7 Ų88.771%0.71148%0.48SS*.Hα-helixtrans-51.2-32.7178-64.9-39000110.9I3 F7 F8 D9I3-D5 PolarHBondContact O-N 3.17Å; I3-D5 VanDerWaalsContact O-N 3.13Å; D5-F7 VanDerWaalsContact C-N 3.28Å; D5-F7 PolarHBondContact O-N 2.97Å; D5-F8 PolarHBondContact O-N 2.96Å; D5-F8 VanDerWaalsContact O-N 3.16Å; D5-D9 PolarHBondContact O-N 2.99Å
6T78.3Confident78.6Confident95 Ų9593.2 Ų93.258%0.58349%0.494SS*.Hα-helixtrans-56.4-33.8173.358.30000114.6S4 S10S4-T6 VanDerWaalsContact CB-OG1 3.26Å; S4-T6 WeakPolarHBondContact CB-OG1 3.47Å; S4-T6 PolarHBondContact O-N 3.49Å; S4-T6 PolarHBondContact OG-OG1 3.37Å; T6-S10 WeakPolarHBondContact O-CB 3.39Å; T6-S10 PolarHBondContact O-N 3.19Å; T6-S10 VanDerWaalsContact O-N 3.11Å; T6-S10 PolarHBondContact O-OG 3.18Å
7F80Confident79Confident22 Ų2291.3 Ų91.310%0.09648%0.481CS..Hα-helixtrans-72.3-44.8177.5177.1-104.3000110.7I3 S4 D5 S10 L11 E98 K99I3-F7 HydrophobicContact CG2-CD1 4.06Å; S4-F7 WeakPolarHBondContact O-CB 3.39Å; S4-F7 PolarHBondContact O-N 3.07Å; S4-F7 WeakPolarHBondContact OG-CB 3.33Å; S4-F7 PolarHBondContact OG-N 3.15Å; D5-F7 VanDerWaalsContact C-N 3.28Å; D5-F7 PolarHBondContact O-N 2.97Å; F7-S10 WeakPolarHBondContact O-CB 3.5Å; F7-S10 PolarHBondContact O-N 3.44Å; F7-L11 HydrophobicContact CD1-CD1 3.94Å; F7-L11 HydrophobicContact CD1-CG 4.4Å; F7-L11 HydrophobicContact CE1-CD1 3.28Å; F7-L11 HydrophobicContact CE1-CG 4.01Å; F7-L11 HydrophobicContact CE2-CD1 4.38Å; F7-L11 HydrophobicContact CE2-CG 4.34Å; F7-L11 HydrophobicContact CZ-CD1 3.55Å; F7-L11 HydrophobicContact CZ-CD2 4.25Å; F7-L11 HydrophobicContact CZ-CG 3.98Å; F7-L11 WeakPolarHBondContact O-CG 3.27Å; F7-L11 PolarHBondContact O-N 3.45Å; F7-E98 HydrophobicContact CD2-CB 4.17Å; F7-E98 VanDerWaalsContact CD2-OE2 3.3Å; F7-E98 WeakPolarHBondContact CD2-OE2 3.48Å; F7-E98 HydrophobicContact CE2-CB 3.85Å; F7-K99 HydrophobicContact CZ-CB 4.2Å
8F81.3Confident79.5Confident127 Ų12789.9 Ų89.956%0.55747%0.474SS*.Hα-helixtrans-64.7-45.2178.4-171.9-96.1000111.2D5 S10 L11 Q12D5-F8 PolarHBondContact O-N 2.96Å; D5-F8 VanDerWaalsContact O-N 3.16Å; F8-S10 VanDerWaalsContact C-N 3.28Å; F8-S10 PolarHBondContact O-N 3.09Å; F8-L11 PolarHBondContact O-N 2.92Å; F8-L11 VanDerWaalsContact O-N 3.1Å; F8-Q12 PolarHBondContact O-N 3.37Å
9D84.1Confident80.1Confident81 Ų8190.3 Ų90.343%0.43348%0.48SS..Hα-helixtrans-57.1-42.9174.4-72.2-21.3000111.7D5 Q12 Q13D5-D9 PolarHBondContact O-N 2.99Å; D9-Q12 PolarHBondContact O-N 3.41Å; D9-Q13 VanDerWaalsContact O-CG 3.3Å; D9-Q13 WeakPolarHBondContact O-CG 3.36Å; D9-Q13 PolarHBondContact O-N 3.16Å; D9-Q13 VanDerWaalsContact O-N 3.09Å
10S80.7Confident80.6Confident35 Ų3593.3 Ų93.325%0.24549%0.485CS..Hα-helixtrans-62.3-42.8176.1-62.90000112.2T6 F7 F8 Q13 L14 K95T6-S10 WeakPolarHBondContact O-CB 3.39Å; T6-S10 PolarHBondContact O-N 3.19Å; T6-S10 VanDerWaalsContact O-N 3.11Å; T6-S10 PolarHBondContact O-OG 3.18Å; F7-S10 WeakPolarHBondContact O-CB 3.5Å; F7-S10 PolarHBondContact O-N 3.44Å; F8-S10 VanDerWaalsContact C-N 3.28Å; F8-S10 PolarHBondContact O-N 3.09Å; S10-Q13 PolarHBondContact O-N 2.86Å; S10-L14 PolarHBondContact O-N 3.37Å; S10-K95 PolarHBondContact OG-NZ 2.93Å
11L82.2Confident80.9Confident70 Ų7089.5 Ų89.537%0.36647%0.465SS..Hα-helixtrans-67.5-37.2177.8-73.5-175.6000112F7 F8 Q13 L14 P15F7-L11 HydrophobicContact CD1-CD1 3.94Å; F7-L11 HydrophobicContact CD1-CG 4.4Å; F7-L11 HydrophobicContact CE1-CD1 3.28Å; F7-L11 HydrophobicContact CE1-CG 4.01Å; F7-L11 HydrophobicContact CE2-CD1 4.38Å; F7-L11 HydrophobicContact CE2-CG 4.34Å; F7-L11 HydrophobicContact CZ-CD1 3.55Å; F7-L11 HydrophobicContact CZ-CD2 4.25Å; F7-L11 HydrophobicContact CZ-CG 3.98Å; F7-L11 WeakPolarHBondContact O-CG 3.27Å; F7-L11 PolarHBondContact O-N 3.45Å; F8-L11 PolarHBondContact O-N 2.92Å; F8-L11 VanDerWaalsContact O-N 3.1Å; L11-Q13 VanDerWaalsContact C-N 3.31Å; L11-Q13 PolarHBondContact O-N 3.36Å; L11-L14 WeakPolarHBondContact O-CB 3.49Å; L11-L14 PolarHBondContact O-N 3.03Å; L11-P15 WeakPolarHBondContact O-CD 3.41Å
12Q86.6Confident82.5Confident119 Ų11987.1 Ų87.156%0.55646%0.455SS*.Hα-helixtrans-68.3-31.5178.6-170.6176.8-1400112.3F8 D9F8-Q12 PolarHBondContact O-N 3.37Å; D9-Q12 PolarHBondContact O-N 3.41Å
13Q86.9Confident83.8Confident101 Ų10187.2 Ų87.247%0.47244%0.442SS..Hα-helixtrans-78.4-22.8176-68.3173.72600112.8D9 S10 L11 K16 E17D9-Q13 VanDerWaalsContact O-CG 3.3Å; D9-Q13 WeakPolarHBondContact O-CG 3.36Å; D9-Q13 PolarHBondContact O-N 3.16Å; D9-Q13 VanDerWaalsContact O-N 3.09Å; S10-Q13 PolarHBondContact O-N 2.86Å; L11-Q13 VanDerWaalsContact C-N 3.31Å; L11-Q13 PolarHBondContact O-N 3.36Å; Q13-K16 WeakPolarHBondContact O-CB 3.45Å; Q13-K16 PolarHBondContact O-N 3.18Å; Q13-K16 VanDerWaalsContact O-N 3.08Å; Q13-E17 PolarHBondContact O-N 2.84Å; Q13-E17 VanDerWaalsContact O-N 3.08Å
14L85.2Confident85.1Confident33 Ų3385.1 Ų85.117%0.17343%0.432CS..Hα-helixtrans-55.7-45-171.6-172.570.5000114.6S10 L11 K16 E17 L18 K88 L92S10-L14 PolarHBondContact O-N 3.37Å; L11-L14 WeakPolarHBondContact O-CB 3.49Å; L11-L14 PolarHBondContact O-N 3.03Å; L14-K16 VanDerWaalsContact C-N 3.33Å; L14-K16 PolarHBondContact O-N 3.01Å; L14-E17 PolarHBondContact O-N 3.06Å; L14-L18 WeakPolarHBondContact O-CB 3.43Å; L14-L18 PolarHBondContact O-N 3.04Å; L14-K88 VanDerWaalsContact CD1-NZ 3.32Å; L14-L92 HydrophobicContact CD1-CD2 3.62Å; L14-L92 HydrophobicContact CD2-CD2 3.78Å; L14-L92 HydrophobicContact CG-CD2 4.15Å
15P88.2Confident85.9Confident78 Ų7884.1 Ų84.151%0.50642%0.421SS..Hα-helixtrans-62.9-38.1178-23.635.2000113L11 L18 T19L11-P15 WeakPolarHBondContact O-CD 3.41Å; P15-L18 PolarHBondContact O-N 2.93Å; P15-T19 WeakPolarHBondContact O-CB 3.28Å; P15-T19 PolarHBondContact O-N 2.84Å; P15-T19 PolarHBondContact O-OG1 3.5Å
16K88.6Confident86.6Confident160 Ų16086.5 Ų86.570%0.69642%0.42SS*.Hα-helixtrans-65.8-46.6179.1-62.9179.2-178.61760110.5Q13 L14 T19 R20Q13-K16 WeakPolarHBondContact O-CB 3.45Å; Q13-K16 PolarHBondContact O-N 3.18Å; Q13-K16 VanDerWaalsContact O-N 3.08Å; L14-K16 VanDerWaalsContact C-N 3.33Å; L14-K16 PolarHBondContact O-N 3.01Å; K16-T19 PolarHBondContact O-N 3.38Å; K16-R20 WeakPolarHBondContact O-CB 3.3Å; K16-R20 PolarHBondContact O-N 2.94Å
17E86.8Confident87.3Confident61 Ų6185.2 Ų85.229%0.28541%0.408SS..Hα-helixtrans-62.7-44176.2-68.5-178.9179.800112.6Q13 L14 R20 N21 K88Q13-E17 PolarHBondContact O-N 2.84Å; Q13-E17 VanDerWaalsContact O-N 3.08Å; L14-E17 PolarHBondContact O-N 3.06Å; E17-R20 PolarHBondContact O-N 3.48Å; E17-N21 WeakPolarHBondContact O-CB 3.33Å; E17-N21 PolarHBondContact O-N 2.93Å; E17-N21 PolarHBondContact O-ND2 3.23Å; E17-K88 IonicContact OE2-NZ 3.83Å; E17-K88 PolarHBondContact OE2-NZ 3.24Å
18L87.7Confident87.8Confident66 Ų6684.5 Ų84.535%0.34640%0.404SS..Hα-helixtrans-63.4-44.5-180-175.762.5000110.7L14 P15 R20 N21 L22 K88L14-L18 WeakPolarHBondContact O-CB 3.43Å; L14-L18 PolarHBondContact O-N 3.04Å; P15-L18 PolarHBondContact O-N 2.93Å; L18-R20 VanDerWaalsContact C-N 3.35Å; L18-R20 PolarHBondContact O-N 3.29Å; L18-N21 PolarHBondContact O-N 3.15Å; L18-L22 HydrophobicContact CD1-CD1 4.31Å; L18-L22 HydrophobicContact CD1-CG 4.23Å; L18-L22 HydrophobicContact CG-CD1 4Å; L18-L22 HydrophobicContact CG-CG 4.34Å; L18-L22 WeakPolarHBondContact O-CB 3.42Å; L18-L22 VanDerWaalsContact O-CG 3.29Å; L18-L22 WeakPolarHBondContact O-CG 3.41Å; L18-L22 PolarHBondContact O-N 3.12Å; L18-K88 HydrophobicContact CD1-CG 4.44Å
19T90.5Very high88.4Confident97 Ų9782.2 Ų82.260%0.59540%0.396SS*.Hα-helixtrans-57.9-47.9175.6-58.10000111.1P15 K16 N21 L22 F23P15-T19 WeakPolarHBondContact O-CB 3.28Å; P15-T19 PolarHBondContact O-N 2.84Å; P15-T19 PolarHBondContact O-OG1 3.5Å; K16-T19 PolarHBondContact O-N 3.38Å; T19-N21 PolarHBondContact O-N 3.4Å; T19-L22 PolarHBondContact O-N 3.48Å; T19-F23 WeakPolarHBondContact O-CB 3.47Å; T19-F23 PolarHBondContact O-N 3.03Å
20R90.1Very high88.8Confident151 Ų15181 Ų8157%0.5739%0.391SS*.Hα-helixtrans-59.4-46176.7-171.4-166.672.81026.2111.8K16 E17 L18 F23 L24K16-R20 WeakPolarHBondContact O-CB 3.3Å; K16-R20 PolarHBondContact O-N 2.94Å; E17-R20 PolarHBondContact O-N 3.48Å; L18-R20 VanDerWaalsContact C-N 3.35Å; L18-R20 PolarHBondContact O-N 3.29Å; R20-F23 WeakPolarHBondContact O-CB 3.47Å; R20-F23 PolarHBondContact O-N 2.88Å; R20-L24 WeakPolarHBondContact O-CG 3.41Å; R20-L24 PolarHBondContact O-N 3.45Å
21N87.5Confident89.5Confident13 Ų1384.6 Ų84.67%0.0740%0.399CS..Hα-helixtrans-68.1-42.2-178.3-68-18.8000112.2E17 L18 T19 F23 L24 I25 I84E17-N21 WeakPolarHBondContact O-CB 3.33Å; E17-N21 PolarHBondContact O-N 2.93Å; E17-N21 PolarHBondContact O-ND2 3.23Å; L18-N21 PolarHBondContact O-N 3.15Å; T19-N21 PolarHBondContact O-N 3.4Å; N21-F23 VanDerWaalsContact C-N 3.27Å; N21-F23 PolarHBondContact O-N 3.17Å; N21-L24 PolarHBondContact O-N 2.88Å; N21-I25 VanDerWaalsContact O-CG1 3.32Å; N21-I25 WeakPolarHBondContact O-CG1 3.45Å; N21-I25 PolarHBondContact O-N 3Å; N21-I84 HydrophobicContact CB-CG2 4.29Å
22L89.8Confident90Very high100 Ų10081.3 Ų81.352%0.52438%0.382SS..Hα-helixtrans-62.4-37.3175.1-70.9175.1000111.5L18 T19 R26L18-L22 HydrophobicContact CD1-CD1 4.31Å; L18-L22 HydrophobicContact CD1-CG 4.23Å; L18-L22 HydrophobicContact CG-CD1 4Å; L18-L22 HydrophobicContact CG-CG 4.34Å; L18-L22 WeakPolarHBondContact O-CB 3.42Å; L18-L22 VanDerWaalsContact O-CG 3.29Å; L18-L22 WeakPolarHBondContact O-CG 3.41Å; L18-L22 PolarHBondContact O-N 3.12Å; T19-L22 PolarHBondContact O-N 3.48Å; L22-R26 WeakPolarHBondContact O-CB 3.37Å; L22-R26 PolarHBondContact O-N 3.34Å
23F91.7Very high90.4Very high131 Ų13181.7 Ų81.758%0.57538%0.382SS*.Hα-helixtrans-61.5-48.8172.3-178.5-90.7000111.8T19 R20 N21 I25 R26 E27T19-F23 WeakPolarHBondContact O-CB 3.47Å; T19-F23 PolarHBondContact O-N 3.03Å; R20-F23 WeakPolarHBondContact O-CB 3.47Å; R20-F23 PolarHBondContact O-N 2.88Å; N21-F23 VanDerWaalsContact C-N 3.27Å; N21-F23 PolarHBondContact O-N 3.17Å; F23-I25 PolarHBondContact O-N 2.85Å; F23-R26 WeakPolarHBondContact O-CB 3.29Å; F23-R26 PolarHBondContact O-N 3.4Å; F23-R26 VanDerWaalsContact O-N 3.17Å; F23-E27 PolarHBondContact O-N 3.25Å
24L91.5Very high90.8Very high52 Ų5284.8 Ų84.827%0.27239%0.389SS..Hα-helixtrans-58.7-46.1176.7-69.6171.3000111.8R20 N21 R26 E27 L28 I84R20-L24 WeakPolarHBondContact O-CG 3.41Å; R20-L24 PolarHBondContact O-N 3.45Å; N21-L24 PolarHBondContact O-N 2.88Å; L24-R26 VanDerWaalsContact C-N 3.29Å; L24-R26 PolarHBondContact O-N 2.91Å; L24-E27 PolarHBondContact O-N 2.99Å; L24-E27 VanDerWaalsContact O-N 3.15Å; L24-L28 WeakPolarHBondContact O-CG 3.44Å; L24-L28 PolarHBondContact O-N 3.16Å; L24-I84 HydrophobicContact CB-CD1 4.3Å
25I89.9Confident91.3Very high41 Ų4185.3 Ų85.321%0.2139%0.391CS..Hα-helixtrans-58.3-42.9176.7-69.8168000110.9N21 F23 H29 R81 I84N21-I25 VanDerWaalsContact O-CG1 3.32Å; N21-I25 WeakPolarHBondContact O-CG1 3.45Å; N21-I25 PolarHBondContact O-N 3Å; F23-I25 PolarHBondContact O-N 2.85Å; I25-H29 WeakPolarHBondContact O-CB 3.4Å; I25-H29 PolarHBondContact O-N 3.16Å; I25-R81 HydrophobicContact CG1-CG 4.46Å; I25-R81 HydrophobicContact CG2-CG 4.07Å; I25-I84 HydrophobicContact CD1-CG2 4.09Å; I25-I84 HydrophobicContact CG1-CB 4.5Å; I25-I84 HydrophobicContact CG1-CG2 3.96Å
26R91.5Very high91.6Very high183 Ų18386.2 Ų86.269%0.69138%0.384SS*.Hα-helixtrans-65.3-41.9176.8-176.4179178.2174.9-0.1111.6L22 F23 L24 H29 V30L22-R26 WeakPolarHBondContact O-CB 3.37Å; L22-R26 PolarHBondContact O-N 3.34Å; F23-R26 WeakPolarHBondContact O-CB 3.29Å; F23-R26 PolarHBondContact O-N 3.4Å; F23-R26 VanDerWaalsContact O-N 3.17Å; L24-R26 VanDerWaalsContact C-N 3.29Å; L24-R26 PolarHBondContact O-N 2.91Å; R26-H29 WeakPolarHBondContact O-CB 3.44Å; R26-H29 PolarHBondContact O-N 2.82Å; R26-V30 WeakPolarHBondContact O-CG2 3.36Å; R26-V30 PolarHBondContact O-N 2.83Å
27E93Very high92Very high69 Ų6982.5 Ų82.532%0.32238%0.375SS..Hα-helixtrans-62.2-48.5177.9-172.2179.6179.700111.5F23 L24 H29 V30 R31F23-E27 PolarHBondContact O-N 3.25Å; L24-E27 PolarHBondContact O-N 2.99Å; L24-E27 VanDerWaalsContact O-N 3.15Å; E27-H29 VanDerWaalsContact C-N 3.27Å; E27-H29 PolarHBondContact O-N 2.81Å; E27-V30 PolarHBondContact O-N 3.46Å; E27-V30 VanDerWaalsContact O-N 3.14Å; E27-R31 WeakPolarHBondContact O-CG 3.48Å; E27-R31 PolarHBondContact O-N 3.22Å; E27-R31 IonicContact OE1-CZ 3.05Å; E27-R31 IonicContact OE1-NE 2.73Å; E27-R31 PolarHBondContact OE1-NE 3.32Å; E27-R31 IonicContact OE1-NH2 3.4Å; E27-R31 PolarHBondContact OE1-NH2 2.98Å
28L91.1Very high92.5Very high6 Ų681.5 Ų81.53%0.03137%0.373CS..Hα-helixtrans-57.6-42.2174.1-65.6175.9000111L24 V30 R31 M32 L77 E80 R81 I84L24-L28 WeakPolarHBondContact O-CG 3.44Å; L24-L28 PolarHBondContact O-N 3.16Å; L28-V30 PolarHBondContact O-N 2.95Å; L28-R31 PolarHBondContact O-N 3.26Å; L28-M32 WeakPolarHBondContact O-CE 3.38Å; L28-M32 WeakPolarHBondContact O-CG 3.39Å; L28-M32 PolarHBondContact O-N 2.84Å; L28-L77 HydrophobicContact CD2-CD2 3.65Å; L28-E80 HydrophobicContact CD1-CB 4.33Å; L28-E80 HydrophobicContact CD1-CG 4.01Å; L28-E80 WeakPolarHBondContact CD2-OE2 3.16Å; L28-R81 HydrophobicContact CB-CB 4.48Å; L28-R81 HydrophobicContact CD1-CB 3.91Å; L28-I84 HydrophobicContact CD1-CD1 3.8Å
29H92.2Very high92.8Very high80 Ų8079.3 Ų79.337%0.3736%0.362SS..Hα-helixtrans-59.3-44.9175.6-175.884.3000112.9I25 R26 E27 M32 K33I25-H29 WeakPolarHBondContact O-CB 3.4Å; I25-H29 PolarHBondContact O-N 3.16Å; R26-H29 WeakPolarHBondContact O-CB 3.44Å; R26-H29 PolarHBondContact O-N 2.82Å; E27-H29 VanDerWaalsContact C-N 3.27Å; E27-H29 PolarHBondContact O-N 2.81Å; H29-M32 HydrophobicContact CB-CE 4.41Å; H29-M32 PolarHBondContact O-N 3.08Å; H29-K33 WeakPolarHBondContact O-CB 3.34Å; H29-K33 PolarHBondContact O-N 3.49Å
30V93.6Very high93.1Very high56 Ų5677.8 Ų77.834%0.33936%0.355SS..Hα-helixtrans-63.4-44.2177.3171.60000111R26 E27 L28 K33 R34R26-V30 WeakPolarHBondContact O-CG2 3.36Å; R26-V30 PolarHBondContact O-N 2.83Å; E27-V30 PolarHBondContact O-N 3.46Å; E27-V30 VanDerWaalsContact O-N 3.14Å; L28-V30 PolarHBondContact O-N 2.95Å; V30-K33 PolarHBondContact O-N 2.64Å; V30-R34 WeakPolarHBondContact O-CG 3.27Å; V30-R34 PolarHBondContact O-N 3.34Å
31R94.3Very high93.4Very high110 Ų11077.3 Ų77.342%0.41535%0.353SS..Hα-helixtrans-59.5-48.6177-69.3179.4-173-1800.7111.7E27 L28 K33 R34 M35 L77E27-R31 WeakPolarHBondContact O-CG 3.48Å; E27-R31 PolarHBondContact O-N 3.22Å; E27-R31 IonicContact OE1-CZ 3.05Å; E27-R31 IonicContact OE1-NE 2.73Å; E27-R31 PolarHBondContact OE1-NE 3.32Å; E27-R31 IonicContact OE1-NH2 3.4Å; E27-R31 PolarHBondContact OE1-NH2 2.98Å; L28-R31 PolarHBondContact O-N 3.26Å; R31-K33 VanDerWaalsContact C-N 3.34Å; R31-K33 PolarHBondContact O-N 3.1Å; R31-R34 WeakPolarHBondContact O-CB 3.26Å; R31-R34 PolarHBondContact O-N 2.6Å; R31-M35 PolarHBondContact O-N 3.45Å; R31-M35 VanDerWaalsContact O-N 3.08Å; R31-L77 HydrophobicContact CB-CD1 4.05Å
32M93.8Very high93.8Very high0 Ų077.9 Ų77.90%036%0.355CS..Hα-helixtrans-61-41.4175.8-70.1-176.7-68.800112.4L28 H29 R34 M35 R36 L77 C78L28-M32 WeakPolarHBondContact O-CE 3.38Å; L28-M32 WeakPolarHBondContact O-CG 3.39Å; L28-M32 PolarHBondContact O-N 2.84Å; H29-M32 HydrophobicContact CB-CE 4.41Å; H29-M32 PolarHBondContact O-N 3.08Å; M32-R34 VanDerWaalsContact C-N 3.33Å; M32-R34 PolarHBondContact O-N 3Å; M32-M35 PolarHBondContact O-N 3.01Å; M32-R36 WeakPolarHBondContact O-CG 3.34Å; M32-R36 PolarHBondContact O-N 3.29Å; M32-L77 HydrophobicContact CG-CB 3.66Å; M32-L77 HydrophobicContact CG-CD1 3.93Å; M32-L77 HydrophobicContact CG-CG 4.48Å; M32-L77 HydrophobicContact SD-CB 4.1Å; M32-C78 HydrophobicContact SD-CB 4.38Å; M32-C78 PolarHBondContact SD-SG 2.98Å
33K94.8Very high94Very high128 Ų12880.3 Ų80.356%0.55736%0.362SS*.Hα-helixtrans-60.4-43.3177.4-172.7175.3-179.3177.50111.1H29 V30 R31 R36 T37H29-K33 WeakPolarHBondContact O-CB 3.34Å; H29-K33 PolarHBondContact O-N 3.49Å; V30-K33 PolarHBondContact O-N 2.64Å; R31-K33 VanDerWaalsContact C-N 3.34Å; R31-K33 PolarHBondContact O-N 3.1Å; K33-R36 PolarHBondContact O-N 2.89Å; K33-T37 WeakPolarHBondContact O-CG2 3.12Å; K33-T37 PolarHBondContact O-N 3.36Å; K33-T37 PolarHBondContact O-OG1 3.03Å
34R95.4Very high94.2Very high166 Ų16681.5 Ų81.563%0.62637%0.367SS*.Hα-helixtrans-58.7-47.7174.2-69.4177.1-172.9174.32.7111.4V30 R31 M32 R36 T37 T38V30-R34 WeakPolarHBondContact O-CG 3.27Å; V30-R34 PolarHBondContact O-N 3.34Å; R31-R34 WeakPolarHBondContact O-CB 3.26Å; R31-R34 PolarHBondContact O-N 2.6Å; M32-R34 VanDerWaalsContact C-N 3.33Å; M32-R34 PolarHBondContact O-N 3Å; R34-R36 PolarHBondContact O-N 2.84Å; R34-T37 WeakPolarHBondContact CA-OG1 3.4Å; R34-T37 PolarHBondContact O-N 3.12Å; R34-T37 PolarHBondContact O-OG1 3.13Å; R34-T38 PolarHBondContact O-N 2.97Å; R34-T38 PolarHBondContact O-OG1 2.94Å; R34-T38 VanDerWaalsContact O-OG1 3.1Å
35M94.7Very high94.3Very high43 Ų4381.6 Ų81.621%0.21237%0.366CS..Hα-helixtrans-61.5-42.5177.9-66.3177.8177.100112.3R31 M32 T37 T38 I39 L70 N73 I74 L77R31-M35 PolarHBondContact O-N 3.45Å; R31-M35 VanDerWaalsContact O-N 3.08Å; M32-M35 PolarHBondContact O-N 3.01Å; M35-T37 VanDerWaalsContact C-N 3.33Å; M35-T37 PolarHBondContact O-N 2.92Å; M35-T38 WeakPolarHBondContact O-CB 3.45Å; M35-T38 PolarHBondContact O-N 3.4Å; M35-T38 VanDerWaalsContact O-N 3.13Å; M35-I39 WeakPolarHBondContact O-CG1 3.31Å; M35-I39 PolarHBondContact O-N 3.5Å; M35-L70 HydrophobicContact CB-CD2 4.19Å; M35-L70 HydrophobicContact CG-CD2 4.07Å; M35-N73 HydrophobicContact CE-CB 3.87Å; M35-N73 HydrophobicContact SD-CB 3.74Å; M35-I74 HydrophobicContact CB-CD1 3.7Å; M35-I74 HydrophobicContact CB-CG1 3.61Å; M35-I74 HydrophobicContact CG-CG1 4.42Å; M35-I74 HydrophobicContact SD-CG1 3.93Å; M35-L77 HydrophobicContact CE-CD1 3.93Å; M35-L77 HydrophobicContact SD-CD1 3.89Å
36R96Very high94.5Very high97 Ų9782.2 Ų82.237%0.36637%0.369SS..Hα-helixtrans-61.6-38.1174.4-70.7-172.9-148.21126.1112.8M32 K33 R34 T38 I39 S40 I74M32-R36 WeakPolarHBondContact O-CG 3.34Å; M32-R36 PolarHBondContact O-N 3.29Å; K33-R36 PolarHBondContact O-N 2.89Å; R34-R36 PolarHBondContact O-N 2.84Å; R36-T38 VanDerWaalsContact C-N 3.33Å; R36-I39 PolarHBondContact O-N 3.09Å; R36-S40 WeakPolarHBondContact O-CB 3.39Å; R36-S40 PolarHBondContact O-N 3.03Å; R36-S40 PolarHBondContact O-OG 3.1Å; R36-I74 HydrophobicContact CG-CD1 3.76Å
37T96.5Very high94.6Very high82 Ų8281.4 Ų81.450%0.50337%0.371SS..Hα-helixtrans-65.3-37.8174.354.20000111.7K33 R34 M35 S40 R41K33-T37 WeakPolarHBondContact O-CG2 3.12Å; K33-T37 PolarHBondContact O-N 3.36Å; K33-T37 PolarHBondContact O-OG1 3.03Å; R34-T37 WeakPolarHBondContact CA-OG1 3.4Å; R34-T37 PolarHBondContact O-N 3.12Å; R34-T37 PolarHBondContact O-OG1 3.13Å; M35-T37 VanDerWaalsContact C-N 3.33Å; M35-T37 PolarHBondContact O-N 2.92Å; T37-S40 WeakPolarHBondContact O-CB 3.5Å; T37-S40 PolarHBondContact O-N 3.2Å; T37-R41 PolarHBondContact O-N 3.36Å
38T96Very high94.6Very high40 Ų4081.3 Ų81.325%0.24538%0.377CS..Hα-helixtrans-65.4-43.3174.8-52.60000112R34 M35 R36 S40 R41 H42 L70R34-T38 PolarHBondContact O-N 2.97Å; R34-T38 PolarHBondContact O-OG1 2.94Å; R34-T38 VanDerWaalsContact O-OG1 3.1Å; M35-T38 WeakPolarHBondContact O-CB 3.45Å; M35-T38 PolarHBondContact O-N 3.4Å; M35-T38 VanDerWaalsContact O-N 3.13Å; R36-T38 VanDerWaalsContact C-N 3.33Å; T38-S40 VanDerWaalsContact C-N 3.31Å; T38-S40 PolarHBondContact O-N 3.31Å; T38-R41 WeakPolarHBondContact O-CB 3.14Å; T38-R41 PolarHBondContact O-N 3.26Å; T38-H42 PolarHBondContact O-CD2 3Å; T38-H42 PolarHBondContact O-N 2.93Å; T38-L70 HydrophobicContact CG2-CD1 3.61Å
39I95.4Very high94.7Very high21 Ų2182 Ų8211%0.10839%0.385CS..Hα-helixtrans-58.9-45.3173.4-69166.6000110.4M35 R36 R41 H42 K43 I67 L70 I74M35-I39 WeakPolarHBondContact O-CG1 3.31Å; M35-I39 PolarHBondContact O-N 3.5Å; R36-I39 PolarHBondContact O-N 3.09Å; I39-R41 VanDerWaalsContact C-N 3.28Å; I39-R41 PolarHBondContact O-N 3.01Å; I39-H42 PolarHBondContact O-N 3.38Å; I39-K43 WeakPolarHBondContact O-CB 3.38Å; I39-K43 PolarHBondContact O-N 2.89Å; I39-I67 HydrophobicContact CG2-CG2 4.14Å; I39-L70 HydrophobicContact CD1-CB 3.81Å; I39-L70 HydrophobicContact CG1-CB 3.66Å; I39-L70 HydrophobicContact CG1-CD1 3.87Å; I39-L70 HydrophobicContact CG1-CG 4.41Å; I39-I74 HydrophobicContact CD1-CD1 3.5Å; I39-I74 VanDerWaalsContact CD1-CD1 3.5Å
40S96.6Very high94.7Very high64 Ų6484 Ų8445%0.44840%0.397SS..Hα-helixtrans-61.5-37.3178.2-59.10000111.9R36 T37 T38 K44R36-S40 WeakPolarHBondContact O-CB 3.39Å; R36-S40 PolarHBondContact O-N 3.03Å; R36-S40 PolarHBondContact O-OG 3.1Å; T37-S40 WeakPolarHBondContact O-CB 3.5Å; T37-S40 PolarHBondContact O-N 3.2Å; T38-S40 VanDerWaalsContact C-N 3.31Å; T38-S40 PolarHBondContact O-N 3.31Å; S40-K44 WeakPolarHBondContact O-CG 3.39Å; S40-K44 PolarHBondContact O-N 3.43Å; S40-K44 VanDerWaalsContact O-N 3.08Å
41R96.1Very high94.7Very high142 Ų14286.1 Ų86.154%0.53641%0.414SS..Hα-helixtrans-63.9-50.5173.2-176.6-179.163.9171.31111.5T37 T38 I39 K43 K44 E45T37-R41 PolarHBondContact O-N 3.36Å; T38-R41 WeakPolarHBondContact O-CB 3.14Å; T38-R41 PolarHBondContact O-N 3.26Å; I39-R41 VanDerWaalsContact C-N 3.28Å; I39-R41 PolarHBondContact O-N 3.01Å; R41-K43 VanDerWaalsContact C-N 3.28Å; R41-K43 PolarHBondContact O-N 3.44Å; R41-K44 WeakPolarHBondContact O-CB 3.29Å; R41-K44 PolarHBondContact O-N 3.25Å; R41-K44 VanDerWaalsContact O-N 3.08Å; R41-E45 HydrophobicContact CG-CG 4.5Å; R41-E45 WeakPolarHBondContact CG-OE1 3.31Å; R41-E45 IonicContact NE-OE1 2.68Å; R41-E45 WeakPolarHBondContact O-CG 3.24Å; R41-E45 PolarHBondContact O-N 3.09Å
42H94.8Very high94.7Very high24 Ų2485.1 Ų85.111%0.11143%0.43CS..Hα-helixtrans-60.1-37.9177.4-72.6-41.9000112.9T38 I39 E45 L46 I67T38-H42 PolarHBondContact O-CD2 3Å; T38-H42 PolarHBondContact O-N 2.93Å; I39-H42 PolarHBondContact O-N 3.38Å; H42-E45 IonicContact CE1-OE2 2.67Å; H42-E45 IonicContact ND1-OE2 3.4Å; H42-E45 PolarHBondContact ND1-OE2 3.12Å; H42-E45 PolarHBondContact O-N 2.98Å; H42-L46 VanDerWaalsContact O-CB 3.3Å; H42-L46 WeakPolarHBondContact O-CB 3.34Å; H42-L46 PolarHBondContact O-N 3.05Å; H42-I67 HydrophobicContact CB-CD1 3.88Å; H42-I67 HydrophobicContact CB-CG1 3.8Å
43K94.9Very high94.6Very high151 Ų15186.5 Ų86.566%0.65744%0.444SS*.Hα-helixtrans-63.4-40174.2-172.8176.8-179.8177.10112.2I39 R41 K47I39-K43 WeakPolarHBondContact O-CB 3.38Å; I39-K43 PolarHBondContact O-N 2.89Å; R41-K43 VanDerWaalsContact C-N 3.28Å; R41-K43 PolarHBondContact O-N 3.44Å; K43-K47 WeakPolarHBondContact O-CB 3.43Å; K43-K47 PolarHBondContact O-N 3.44Å
44K95.6Very high94.4Very high157 Ų15787.2 Ų87.268%0.68346%0.461SS*.Hα-helixtrans-65.4-47.4174.9-74177.3-178.7-174.70111.6S40 R41 L46 K47 S48S40-K44 WeakPolarHBondContact O-CG 3.39Å; S40-K44 PolarHBondContact O-N 3.43Å; S40-K44 VanDerWaalsContact O-N 3.08Å; R41-K44 WeakPolarHBondContact O-CB 3.29Å; R41-K44 PolarHBondContact O-N 3.25Å; R41-K44 VanDerWaalsContact O-N 3.08Å; K44-L46 VanDerWaalsContact C-N 3.31Å; K44-L46 PolarHBondContact O-N 3.21Å; K44-K47 PolarHBondContact O-N 3.35Å; K44-S48 PolarHBondContact O-N 3.32Å; K44-S48 PolarHBondContact O-OG 3.43Å
45E93.9Very high94.2Very high53 Ų5381.1 Ų81.125%0.24844%0.442CS..Hα-helixtrans-57-44.6176.4-70.4166.2-177.700111.6R41 H42 S48 A49 K63R41-E45 HydrophobicContact CG-CG 4.5Å; R41-E45 WeakPolarHBondContact CG-OE1 3.31Å; R41-E45 IonicContact NE-OE1 2.68Å; R41-E45 WeakPolarHBondContact O-CG 3.24Å; R41-E45 PolarHBondContact O-N 3.09Å; H42-E45 IonicContact CE1-OE2 2.67Å; H42-E45 IonicContact ND1-OE2 3.4Å; H42-E45 PolarHBondContact ND1-OE2 3.12Å; H42-E45 PolarHBondContact O-N 2.98Å; E45-S48 WeakPolarHBondContact CA-OG 3.39Å; E45-S48 PolarHBondContact O-N 3.21Å; E45-S48 PolarHBondContact O-OG 3.4Å; E45-A49 WeakPolarHBondContact O-CB 3.44Å; E45-A49 PolarHBondContact O-N 2.94Å; E45-K63 IonicContact OE2-NZ 3.49Å; E45-K63 PolarHBondContact OE2-NZ 3.11Å
46L93.6Very high94.1Very high54 Ų5482.3 Ų82.328%0.28346%0.455SS..Hα-helixtrans-62.5-44.2177.2-173.367.2000111.6H42 K44 A49 L50 Y59 L60H42-L46 VanDerWaalsContact O-CB 3.3Å; H42-L46 WeakPolarHBondContact O-CB 3.34Å; H42-L46 PolarHBondContact O-N 3.05Å; K44-L46 VanDerWaalsContact C-N 3.31Å; K44-L46 PolarHBondContact O-N 3.21Å; L46-A49 PolarHBondContact O-N 3.33Å; L46-L50 WeakPolarHBondContact O-CB 3.1Å; L46-L50 PolarHBondContact O-N 3.02Å; L46-Y59 HydrophobicContact CD1-CE1 4.28Å; L46-L60 HydrophobicContact CD1-CD2 3.47Å; L46-L60 VanDerWaalsContact CD1-CD2 3.47Å
47K93.8Very high94Very high167 Ų16786.2 Ų86.273%0.72648%0.475SS*.Hα-helixtrans-62.8-43.7177.2-171.3179.1-179.7-177.30111.5K43 K44 S51K43-K47 WeakPolarHBondContact O-CB 3.43Å; K43-K47 PolarHBondContact O-N 3.44Å; K44-K47 PolarHBondContact O-N 3.35Å; K47-S51 PolarHBondContact O-N 2.9Å; K47-S51 VanDerWaalsContact O-N 3.11Å; K47-S51 PolarHBondContact O-OG 3.5Å
48S94Very high94Very high66 Ų6688.3 Ų88.346%0.46248%0.483SS..Hα-helixtrans-67-38.9177.552.10000112.8K44 E45 S51 A52K44-S48 PolarHBondContact O-N 3.32Å; K44-S48 PolarHBondContact O-OG 3.43Å; E45-S48 WeakPolarHBondContact CA-OG 3.39Å; E45-S48 PolarHBondContact O-N 3.21Å; E45-S48 PolarHBondContact O-OG 3.4Å; S48-S51 WeakPolarHBondContact CA-OG 3.11Å; S48-S51 PolarHBondContact O-N 2.88Å; S48-S51 PolarHBondContact O-OG 2.65Å; S48-A52 PolarHBondContact O-N 3.43Å; S48-A52 VanDerWaalsContact O-N 3.16Å
49A93.5Very high93.8Very high22 Ų2290.2 Ų90.218%0.18249%0.486CS..Hα-helixtrans-65.9-43177.900000111.1E45 L46 S51 A52 G53 V55 Y59E45-A49 WeakPolarHBondContact O-CB 3.44Å; E45-A49 PolarHBondContact O-N 2.94Å; L46-A49 PolarHBondContact O-N 3.33Å; A49-S51 VanDerWaalsContact C-N 3.31Å; A49-S51 PolarHBondContact O-N 2.87Å; A49-A52 PolarHBondContact O-N 3.16Å; A49-A52 VanDerWaalsContact O-N 3.14Å; A49-G53 PolarHBondContact O-N 2.93Å; A49-V55 HydrophobicContact CB-CG2 3.88Å; A49-V55 WeakPolarHBondContact O-CG2 3.5Å; A49-Y59 HydrophobicContact CB-CE1 4.1Å
50L92Very high93.7Very high122 Ų12292.6 Ų92.664%0.63950%0.499SS*.Hα-helixtrans-66.1-33177.8-170.264.8000112.6L46 A52L46-L50 WeakPolarHBondContact O-CB 3.1Å; L46-L50 PolarHBondContact O-N 3.02Å; L50-A52 VanDerWaalsContact C-N 3.33Å
51S93.1Very high93.7Very high99 Ų9998.1 Ų98.169%0.69251%0.51SS*.Hα-helixtrans-73.6-21.6173.556.60000114K47 S48 A49K47-S51 PolarHBondContact O-N 2.9Å; K47-S51 VanDerWaalsContact O-N 3.11Å; K47-S51 PolarHBondContact O-OG 3.5Å; S48-S51 WeakPolarHBondContact CA-OG 3.11Å; S48-S51 PolarHBondContact O-N 2.88Å; S48-S51 PolarHBondContact O-OG 2.65Å; A49-S51 VanDerWaalsContact C-N 3.31Å; A49-S51 PolarHBondContact O-N 2.87Å
52A93.6Very high93.6Very high90 Ų9095 Ų9574%0.74451%0.51SS*.Hα-helixtrans-82.8-15.5179.800000113.2S48 A49 L50S48-A52 PolarHBondContact O-N 3.43Å; S48-A52 VanDerWaalsContact O-N 3.16Å; A49-A52 PolarHBondContact O-N 3.16Å; A49-A52 VanDerWaalsContact O-N 3.14Å; L50-A52 VanDerWaalsContact C-N 3.33Å
53G91.4Very high93.6Very high28 Ų2895.5 Ų95.529%0.28951%0.512SS..SBendtrans147.3-170.317900000113.1A49 V55A49-G53 PolarHBondContact O-N 2.93Å; G53-V55 PolarHBondContact O-N 3.23Å
54P91.3Very high93.6Very high143 Ų14394.1 Ų94.193%0.92951%0.507SS*.  trans-64.3130.6175.227-33.1000110.5
55V91.6Very high93.6Very high38 Ų3890.2 Ų90.223%0.2349%0.494CS..  trans-105.4140.8-178.1-177.10000109.6A49 G53 Y59 L60A49-V55 HydrophobicContact CB-CG2 3.88Å; A49-V55 WeakPolarHBondContact O-CG2 3.5Å; G53-V55 PolarHBondContact O-N 3.23Å; V55-Y59 HydrophobicContact CG1-CD1 3.22Å; V55-Y59 HydrophobicContact CG1-CE1 3.91Å; V55-Y59 HydrophobicContact CG1-CG 3.78Å; V55-L60 HydrophobicContact CB-CD2 4.35Å; V55-L60 HydrophobicContact CG1-CD2 4.13Å; V55-L60 HydrophobicContact CG1-CG 4.28Å
56S93.2Very high93.7Very high69 Ų6989.3 Ų89.348%0.48350%0.495SS..  trans-58.9141176.8175.10000111.9D58 Y59 L60S56-D58 PolarHBondContact O-N 3.46Å; S56-D58 PolarHBondContact OG-N 2.84Å; S56-Y59 WeakPolarHBondContact O-CB 3.19Å; S56-Y59 PolarHBondContact O-N 2.81Å; S56-Y59 VanDerWaalsContact O-N 3.14Å; S56-L60 PolarHBondContact O-N 2.71Å
57K93.9Very high93.8Very high179 Ų17988.4 Ų88.478%0.77849%0.49SS*.Hα-helixtrans-57-36.1175.6-70.7-177.6-179.7176.50112.2Y59 L60 R61K57-Y59 VanDerWaalsContact C-N 3.34Å; K57-Y59 PolarHBondContact O-N 3.43Å; K57-L60 PolarHBondContact O-N 3.33Å; K57-R61 WeakPolarHBondContact O-CB 3.49Å; K57-R61 PolarHBondContact O-N 3.24Å
58D94.9Very high93.9Very high125 Ų12583.3 Ų83.367%0.66848%0.476SS*.Hα-helixtrans-66.1-37.8179.4-62.6-34.6000111.9S56 R61 S62S56-D58 PolarHBondContact O-N 3.46Å; S56-D58 PolarHBondContact OG-N 2.84Å; D58-R61 PolarHBondContact O-N 3.19Å; D58-S62 WeakPolarHBondContact O-CB 3.09Å; D58-S62 PolarHBondContact O-N 3.41Å
59Y93.4Very high94Very high80 Ų8084 Ų8431%0.31448%0.477SS..Hα-helixtrans-65-45174.5176.9-85.5000111.3L46 A49 V55 S56 K57 R61 S62 K63L46-Y59 HydrophobicContact CD1-CE1 4.28Å; A49-Y59 HydrophobicContact CB-CE1 4.1Å; V55-Y59 HydrophobicContact CG1-CD1 3.22Å; V55-Y59 HydrophobicContact CG1-CE1 3.91Å; V55-Y59 HydrophobicContact CG1-CG 3.78Å; S56-Y59 WeakPolarHBondContact O-CB 3.19Å; S56-Y59 PolarHBondContact O-N 2.81Å; S56-Y59 VanDerWaalsContact O-N 3.14Å; K57-Y59 VanDerWaalsContact C-N 3.34Å; K57-Y59 PolarHBondContact O-N 3.43Å; Y59-R61 VanDerWaalsContact C-N 3.32Å; Y59-R61 PolarHBondContact O-N 2.98Å; Y59-S62 PolarHBondContact O-N 3.31Å; Y59-K63 HydrophobicContact CD1-CG 4.19Å; Y59-K63 HydrophobicContact CE1-CG 3.8Å; Y59-K63 VanDerWaalsContact CZ-CE 3.44Å; Y59-K63 WeakPolarHBondContact O-CG 3.18Å; Y59-K63 PolarHBondContact O-N 3.02Å; Y59-K63 VanDerWaalsContact OH-CE 3.26Å; Y59-K63 WeakPolarHBondContact OH-CE 3.5Å
60L93.3Very high94.2Very high72 Ų7284.3 Ų84.338%0.37748%0.476SS..Hα-helixtrans-59.9-44.7177.1-64.3177.1000111.1L46 V55 S56 K57 K63 H64L46-L60 HydrophobicContact CD1-CD2 3.47Å; L46-L60 VanDerWaalsContact CD1-CD2 3.47Å; V55-L60 HydrophobicContact CB-CD2 4.35Å; V55-L60 HydrophobicContact CG1-CD2 4.13Å; V55-L60 HydrophobicContact CG1-CG 4.28Å; S56-L60 PolarHBondContact O-N 2.71Å; K57-L60 PolarHBondContact O-N 3.33Å; L60-K63 PolarHBondContact O-N 3.42Å; L60-H64 WeakPolarHBondContact O-CB 3.4Å; L60-H64 PolarHBondContact O-N 3.46Å
61R95.1Very high94.3Very high179 Ų17983.3 Ų83.368%0.67547%0.468SS*.Hα-helixtrans-63.4-47.2178-162.5175.6-148.9-144.22.3111.8K57 D58 Y59 K63 H64 D65K57-R61 WeakPolarHBondContact O-CB 3.49Å; K57-R61 PolarHBondContact O-N 3.24Å; D58-R61 PolarHBondContact O-N 3.19Å; Y59-R61 VanDerWaalsContact C-N 3.32Å; Y59-R61 PolarHBondContact O-N 2.98Å; R61-K63 VanDerWaalsContact C-N 3.34Å; R61-K63 PolarHBondContact O-N 3.18Å; R61-H64 WeakPolarHBondContact O-CB 3.45Å; R61-H64 PolarHBondContact O-N 2.97Å; R61-H64 VanDerWaalsContact O-N 3.16Å; R61-D65 WeakPolarHBondContact O-CB 3.49Å; R61-D65 PolarHBondContact O-N 3.27Å
62S95.2Very high94.5Very high77 Ų7784.8 Ų84.854%0.53846%0.462SS..Hα-helixtrans-57.4-44.5176.6177.60000112.5D58 Y59 D65 A66D58-S62 WeakPolarHBondContact O-CB 3.09Å; D58-S62 PolarHBondContact O-N 3.41Å; Y59-S62 PolarHBondContact O-N 3.31Å; S62-D65 PolarHBondContact O-N 2.78Å; S62-A66 WeakPolarHBondContact O-CB 3.47Å; S62-A66 PolarHBondContact O-N 3.21Å
63K93.7Very high94.6Very high35 Ų3583 Ų8315%0.15244%0.44CS..Hα-helixtrans-66.7-41.2176-69.4-64.5-179.4-173.70112.3E45 Y59 L60 R61 A66 I67E45-K63 IonicContact OE2-NZ 3.49Å; E45-K63 PolarHBondContact OE2-NZ 3.11Å; Y59-K63 HydrophobicContact CD1-CG 4.19Å; Y59-K63 HydrophobicContact CE1-CG 3.8Å; Y59-K63 VanDerWaalsContact CZ-CE 3.44Å; Y59-K63 WeakPolarHBondContact O-CG 3.18Å; Y59-K63 PolarHBondContact O-N 3.02Å; Y59-K63 VanDerWaalsContact OH-CE 3.26Å; Y59-K63 WeakPolarHBondContact OH-CE 3.5Å; L60-K63 PolarHBondContact O-N 3.42Å; R61-K63 VanDerWaalsContact C-N 3.34Å; R61-K63 PolarHBondContact O-N 3.18Å; K63-A66 PolarHBondContact O-N 3.43Å; K63-I67 VanDerWaalsContact O-CG1 3.31Å; K63-I67 WeakPolarHBondContact O-CG1 3.25Å; K63-I67 PolarHBondContact O-N 3.1Å
64H94.8Very high94.8Very high121 Ų12182.4 Ų82.456%0.5643%0.43SS*.Hα-helixtrans-59.4-48.6175.6174.3-85.2000111.2L60 R61 A66 I67 S68L60-H64 WeakPolarHBondContact O-CB 3.4Å; L60-H64 PolarHBondContact O-N 3.46Å; R61-H64 WeakPolarHBondContact O-CB 3.45Å; R61-H64 PolarHBondContact O-N 2.97Å; R61-H64 VanDerWaalsContact O-N 3.16Å; H64-A66 VanDerWaalsContact C-N 3.34Å; H64-A66 PolarHBondContact O-N 3.41Å; H64-I67 PolarHBondContact O-N 3.24Å; H64-S68 VanDerWaalsContact O-CB 3.27Å; H64-S68 WeakPolarHBondContact O-CB 3.33Å; H64-S68 PolarHBondContact O-N 3.27Å
65D96.2Very high95Very high76 Ų7679.5 Ų79.541%0.40641%0.409SS..Hα-helixtrans-65.2-38.1-178.6-64.6-15.4000111.6R61 S62 S68 T69R61-D65 WeakPolarHBondContact O-CB 3.49Å; R61-D65 PolarHBondContact O-N 3.27Å; S62-D65 PolarHBondContact O-N 2.78Å; D65-S68 PolarHBondContact O-N 2.96Å; D65-T69 WeakPolarHBondContact O-CB 3.44Å; D65-T69 PolarHBondContact O-N 3.5Å; D65-T69 PolarHBondContact O-OG1 2.95Å
66A95.7Very high95.1Very high33 Ų3382.5 Ų82.527%0.27342%0.421SS..Hα-helixtrans-63.1-46172.900000112.3S62 K63 H64 L70S62-A66 WeakPolarHBondContact O-CB 3.47Å; S62-A66 PolarHBondContact O-N 3.21Å; K63-A66 PolarHBondContact O-N 3.43Å; H64-A66 VanDerWaalsContact C-N 3.34Å; H64-A66 PolarHBondContact O-N 3.41Å; A66-L70 VanDerWaalsContact O-CG 3.31Å; A66-L70 WeakPolarHBondContact O-CG 3.34Å; A66-L70 PolarHBondContact O-N 2.88Å
67I95.5Very high95.1Very high35 Ų3580.2 Ų80.218%0.17940%0.403CS..Hα-helixtrans-66-40.6177.5-69.7169000111.2I39 H42 K63 H64 L70 H71I39-I67 HydrophobicContact CG2-CG2 4.14Å; H42-I67 HydrophobicContact CB-CD1 3.88Å; H42-I67 HydrophobicContact CB-CG1 3.8Å; K63-I67 VanDerWaalsContact O-CG1 3.31Å; K63-I67 WeakPolarHBondContact O-CG1 3.25Å; K63-I67 PolarHBondContact O-N 3.1Å; H64-I67 PolarHBondContact O-N 3.24Å; I67-L70 PolarHBondContact O-N 2.84Å; I67-H71 WeakPolarHBondContact O-CB 3.4Å; I67-H71 PolarHBondContact O-N 2.77Å; I67-H71 PolarHBondContact O-ND1 3.26Å
68S96.7Very high95Very high61 Ų6173.3 Ų73.343%0.42738%0.376SS..Hα-helixtrans-62.2-47.6177.6179.80000111H64 D65 L70 H71 K72H64-S68 VanDerWaalsContact O-CB 3.27Å; H64-S68 WeakPolarHBondContact O-CB 3.33Å; H64-S68 PolarHBondContact O-N 3.27Å; D65-S68 PolarHBondContact O-N 2.96Å; S68-L70 PolarHBondContact O-N 3.46Å; S68-H71 PolarHBondContact O-N 2.99Å; S68-K72 PolarHBondContact O-N 3.38Å
69T96.8Very high95Very high79 Ų7972.2 Ų72.249%0.48537%0.371SS..Hα-helixtrans-60.9-44.3177.2-560000111.5D65 H71 K72 N73D65-T69 WeakPolarHBondContact O-CB 3.44Å; D65-T69 PolarHBondContact O-N 3.5Å; D65-T69 PolarHBondContact O-OG1 2.95Å; T69-H71 PolarHBondContact O-N 3.2Å; T69-K72 PolarHBondContact O-N 3.02Å; T69-N73 VanDerWaalsContact O-CG 3.28Å; T69-N73 PolarHBondContact O-N 3.36Å; T69-N73 PolarHBondContact O-OD1 2.83Å
70L96Very high94.9Very high29 Ų2973.1 Ų73.115%0.15238%0.378CS..Hα-helixtrans-64.1-39.4176-72.6167.3000112.4M35 T38 I39 A66 I67 S68 N73 I74M35-L70 HydrophobicContact CB-CD2 4.19Å; M35-L70 HydrophobicContact CG-CD2 4.07Å; T38-L70 HydrophobicContact CG2-CD1 3.61Å; I39-L70 HydrophobicContact CD1-CB 3.81Å; I39-L70 HydrophobicContact CG1-CB 3.66Å; I39-L70 HydrophobicContact CG1-CD1 3.87Å; I39-L70 HydrophobicContact CG1-CG 4.41Å; A66-L70 VanDerWaalsContact O-CG 3.31Å; A66-L70 WeakPolarHBondContact O-CG 3.34Å; A66-L70 PolarHBondContact O-N 2.88Å; I67-L70 PolarHBondContact O-N 2.84Å; S68-L70 PolarHBondContact O-N 3.46Å; L70-N73 PolarHBondContact O-N 3.21Å; L70-I74 VanDerWaalsContact O-CG1 3.27Å; L70-I74 WeakPolarHBondContact O-CG1 3.37Å; L70-I74 PolarHBondContact O-N 2.88Å
71H95.6Very high94.8Very high101 Ų10173.2 Ų73.247%0.46837%0.373SS..Hα-helixtrans-62.4-46.1174.6-95.598.9000111.6I67 S68 T69 N73 I74 V75I67-H71 WeakPolarHBondContact O-CB 3.4Å; I67-H71 PolarHBondContact O-N 2.77Å; I67-H71 PolarHBondContact O-ND1 3.26Å; S68-H71 PolarHBondContact O-N 2.99Å; T69-H71 PolarHBondContact O-N 3.2Å; H71-N73 VanDerWaalsContact C-N 3.34Å; H71-N73 PolarHBondContact O-N 3.45Å; H71-I74 PolarHBondContact O-N 2.77Å; H71-I74 VanDerWaalsContact O-N 3.14Å; H71-V75 WeakPolarHBondContact O-CG2 3.39Å; H71-V75 PolarHBondContact O-N 2.78Å
72K96.4Very high94.5Very high130 Ų13068.1 Ų68.157%0.56536%0.362SS*.Hα-helixtrans-55.6-49.3176.7-173.9-177.6175.7-172.90111.3S68 T69 I74 V75 E76S68-K72 PolarHBondContact O-N 3.38Å; T69-K72 PolarHBondContact O-N 3.02Å; K72-I74 VanDerWaalsContact C-N 3.3Å; K72-I74 PolarHBondContact O-N 3.27Å; K72-V75 PolarHBondContact O-N 3.05Å; K72-V75 VanDerWaalsContact O-N 3.12Å; K72-E76 WeakPolarHBondContact CE-OE1 3.44Å; K72-E76 PolarHBondContact O-N 3.34Å
73N96.2Very high94.4Very high54 Ų5468.1 Ų68.129%0.28936%0.362SS..Hα-helixtrans-63-34.7178.3-64.5-7.3000112.8M35 T69 L70 H71 L77M35-N73 HydrophobicContact CE-CB 3.87Å; M35-N73 HydrophobicContact SD-CB 3.74Å; T69-N73 VanDerWaalsContact O-CG 3.28Å; T69-N73 PolarHBondContact O-N 3.36Å; T69-N73 PolarHBondContact O-OD1 2.83Å; L70-N73 PolarHBondContact O-N 3.21Å; H71-N73 VanDerWaalsContact C-N 3.34Å; H71-N73 PolarHBondContact O-N 3.45Å; N73-L77 VanDerWaalsContact O-CG 3.27Å; N73-L77 WeakPolarHBondContact O-CG 3.43Å; N73-L77 PolarHBondContact O-N 3.02Å
74I95Very high94.2Very high15 Ų1567.9 Ų67.98%0.07736%0.362CS..Hα-helixtrans-66-40.7175-71.8165.2000111M35 R36 I39 L70 H71 K72 L77 C78M35-I74 HydrophobicContact CB-CD1 3.7Å; M35-I74 HydrophobicContact CB-CG1 3.61Å; M35-I74 HydrophobicContact CG-CG1 4.42Å; M35-I74 HydrophobicContact SD-CG1 3.93Å; R36-I74 HydrophobicContact CG-CD1 3.76Å; I39-I74 HydrophobicContact CD1-CD1 3.5Å; I39-I74 VanDerWaalsContact CD1-CD1 3.5Å; L70-I74 VanDerWaalsContact O-CG1 3.27Å; L70-I74 WeakPolarHBondContact O-CG1 3.37Å; L70-I74 PolarHBondContact O-N 2.88Å; H71-I74 PolarHBondContact O-N 2.77Å; H71-I74 VanDerWaalsContact O-N 3.14Å; K72-I74 VanDerWaalsContact C-N 3.3Å; K72-I74 PolarHBondContact O-N 3.27Å; I74-L77 PolarHBondContact O-N 3.26Å; I74-C78 WeakPolarHBondContact O-CB 3.31Å; I74-C78 PolarHBondContact O-N 3.44Å; I74-C78 PolarHBondContact O-SG 3.45Å; I74-C78 VanDerWaalsContact O-SG 3.4Å
75V94.9Very high93.8Very high81 Ų8168.8 Ų68.849%0.49136%0.361SS..Hα-helixtrans-63.2-47.4177.5174.60000110.2H71 K72 L77 C78 D79H71-V75 WeakPolarHBondContact O-CG2 3.39Å; H71-V75 PolarHBondContact O-N 2.78Å; K72-V75 PolarHBondContact O-N 3.05Å; K72-V75 VanDerWaalsContact O-N 3.12Å; V75-L77 VanDerWaalsContact C-N 3.35Å; V75-L77 PolarHBondContact O-N 3.03Å; V75-C78 WeakPolarHBondContact O-CA 3.43Å; V75-C78 VanDerWaalsContact O-CB 3.31Å; V75-C78 WeakPolarHBondContact O-CB 3.26Å; V75-C78 PolarHBondContact O-N 3.36Å; V75-D79 PolarHBondContact O-N 3.25Å
76E94.6Very high93.5Very high102 Ų10269.7 Ų69.748%0.47737%0.365SS..Hα-helixtrans-58.1-43.8177-69.5173.8-176.300112.3K72 C78 D79 E80K72-E76 WeakPolarHBondContact CE-OE1 3.44Å; K72-E76 PolarHBondContact O-N 3.34Å; E76-C78 VanDerWaalsContact C-N 3.34Å; E76-C78 PolarHBondContact O-N 3.13Å; E76-D79 PolarHBondContact O-N 3.05Å; E76-E80 PolarHBondContact O-N 3.4Å
77L93.2Very high93.1Very high21 Ų2174.6 Ų74.611%0.1138%0.381CS..Hα-helixtrans-68.6-30.9175.9-69172.8000113.1L28 R31 M32 M35 N73 I74 V75 R81L28-L77 HydrophobicContact CD2-CD2 3.65Å; R31-L77 HydrophobicContact CB-CD1 4.05Å; M32-L77 HydrophobicContact CG-CB 3.66Å; M32-L77 HydrophobicContact CG-CD1 3.93Å; M32-L77 HydrophobicContact CG-CG 4.48Å; M32-L77 HydrophobicContact SD-CB 4.1Å; M35-L77 HydrophobicContact CE-CD1 3.93Å; M35-L77 HydrophobicContact SD-CD1 3.89Å; N73-L77 VanDerWaalsContact O-CG 3.27Å; N73-L77 WeakPolarHBondContact O-CG 3.43Å; N73-L77 PolarHBondContact O-N 3.02Å; I74-L77 PolarHBondContact O-N 3.26Å; V75-L77 VanDerWaalsContact C-N 3.35Å; V75-L77 PolarHBondContact O-N 3.03Å; L77-R81 WeakPolarHBondContact O-CB 3.39Å; L77-R81 PolarHBondContact O-N 3.16Å
78C92.5Very high92.7Very high33 Ų3373.5 Ų73.522%0.22338%0.375CS..Hα-helixtrans-65.1-45.4172.8-84.30000110.6M32 I74 V75 E76 R81 V82M32-C78 HydrophobicContact SD-CB 4.38Å; M32-C78 PolarHBondContact SD-SG 2.98Å; I74-C78 WeakPolarHBondContact O-CB 3.31Å; I74-C78 PolarHBondContact O-N 3.44Å; I74-C78 PolarHBondContact O-SG 3.45Å; I74-C78 VanDerWaalsContact O-SG 3.4Å; V75-C78 WeakPolarHBondContact O-CA 3.43Å; V75-C78 VanDerWaalsContact O-CB 3.31Å; V75-C78 WeakPolarHBondContact O-CB 3.26Å; V75-C78 PolarHBondContact O-N 3.36Å; E76-C78 VanDerWaalsContact C-N 3.34Å; E76-C78 PolarHBondContact O-N 3.13Å; C78-R81 PolarHBondContact O-N 3.46Å; C78-V82 WeakPolarHBondContact O-CG2 3.28Å; C78-V82 PolarHBondContact O-N 3.15Å
79D93.3Very high92.2Very high102 Ų10271.9 Ų71.955%0.54536%0.363SS..Hα-helixtrans-63-44.5179.1-67.4-19.2000111.1V75 E76 R81 V82 S83V75-D79 PolarHBondContact O-N 3.25Å; E76-D79 PolarHBondContact O-N 3.05Å; D79-R81 VanDerWaalsContact C-N 3.35Å; D79-R81 PolarHBondContact O-N 3.22Å; D79-V82 PolarHBondContact O-N 3.13Å; D79-S83 WeakPolarHBondContact O-CB 3.44Å; D79-S83 PolarHBondContact O-N 3.02Å
80E92.1Very high91.8Very high99 Ų9972 Ų7246%0.46336%0.364SS..Hα-helixtrans-58.4-46173.9-172.1-177.5179.700111.5L28 E76 V82 S83 I84L28-E80 HydrophobicContact CD1-CB 4.33Å; L28-E80 HydrophobicContact CD1-CG 4.01Å; L28-E80 WeakPolarHBondContact CD2-OE2 3.16Å; E76-E80 PolarHBondContact O-N 3.4Å; E80-V82 PolarHBondContact O-N 2.94Å; E80-S83 WeakPolarHBondContact O-CB 3.24Å; E80-S83 PolarHBondContact O-N 2.95Å; E80-I84 HydrophobicContact CG-CD1 4.4Å; E80-I84 WeakPolarHBondContact O-CG1 3.46Å; E80-I84 PolarHBondContact O-N 3.46Å
81R90.6Very high91.3Very high74 Ų7473.3 Ų73.328%0.27937%0.369SS..Hα-helixtrans-63.6-41.6178.9-174.4-179.163.6155.6-0.2112.2I25 L28 L77 C78 D79 Y85I25-R81 HydrophobicContact CG1-CG 4.46Å; I25-R81 HydrophobicContact CG2-CG 4.07Å; L28-R81 HydrophobicContact CB-CB 4.48Å; L28-R81 HydrophobicContact CD1-CB 3.91Å; L77-R81 WeakPolarHBondContact O-CB 3.39Å; L77-R81 PolarHBondContact O-N 3.16Å; C78-R81 PolarHBondContact O-N 3.46Å; D79-R81 VanDerWaalsContact C-N 3.35Å; D79-R81 PolarHBondContact O-N 3.22Å; R81-Y85 PolarHBondContact O-N 3.35Å; R81-Y85 VanDerWaalsContact O-N 3.15Å
82V90.5Very high90.8Very high72 Ų7271.5 Ų71.544%0.43636%0.362SS..Hα-helixtrans-66-41.5177169.60000110.4C78 D79 E80 I84 Y85 I86C78-V82 WeakPolarHBondContact O-CG2 3.28Å; C78-V82 PolarHBondContact O-N 3.15Å; D79-V82 PolarHBondContact O-N 3.13Å; E80-V82 PolarHBondContact O-N 2.94Å; V82-I84 PolarHBondContact O-N 2.94Å; V82-Y85 PolarHBondContact O-N 3.39Å; V82-I86 HydrophobicContact CG1-CD1 3.58Å; V82-I86 HydrophobicContact CG1-CG1 4.16Å; V82-I86 WeakPolarHBondContact O-CG1 3.43Å; V82-I86 PolarHBondContact O-N 3.44Å
83S91.3Very high90.3Very high77 Ų7767.6 Ų67.654%0.53835%0.351SS..Hα-helixtrans-58.3-47.4176.1-176.30000112.1D79 E80 Y85 I86 F87D79-S83 WeakPolarHBondContact O-CB 3.44Å; D79-S83 PolarHBondContact O-N 3.02Å; E80-S83 WeakPolarHBondContact O-CB 3.24Å; E80-S83 PolarHBondContact O-N 2.95Å; S83-Y85 VanDerWaalsContact C-N 3.32Å; S83-Y85 PolarHBondContact O-N 3.5Å; S83-I86 PolarHBondContact O-N 2.89Å; S83-F87 VanDerWaalsContact O-CB 3.29Å; S83-F87 WeakPolarHBondContact O-CB 3.39Å; S83-F87 PolarHBondContact O-N 3.21Å
84I89.4Confident89.9Confident31 Ų3167.3 Ų67.316%0.15936%0.357CS..Hα-helixtrans-59.5-43.3176-65.1168.2000111.1N21 L24 I25 L28 E80 V82 K88N21-I84 HydrophobicContact CB-CG2 4.29Å; L24-I84 HydrophobicContact CB-CD1 4.3Å; I25-I84 HydrophobicContact CD1-CG2 4.09Å; I25-I84 HydrophobicContact CG1-CB 4.5Å; I25-I84 HydrophobicContact CG1-CG2 3.96Å; L28-I84 HydrophobicContact CD1-CD1 3.8Å; E80-I84 HydrophobicContact CG-CD1 4.4Å; E80-I84 WeakPolarHBondContact O-CG1 3.46Å; E80-I84 PolarHBondContact O-N 3.46Å; V82-I84 PolarHBondContact O-N 2.94Å; I84-K88 WeakPolarHBondContact O-CB 3.29Å; I84-K88 PolarHBondContact O-N 2.9Å; I84-K88 VanDerWaalsContact O-N 3.08Å
85Y86.9Confident89.2Confident139 Ų13968.1 Ų68.155%0.54536%0.36SS..Hα-helixtrans-64.3-50.9179.7-175.5-96.7000111.7R81 V82 S83 F87 K88 C89R81-Y85 PolarHBondContact O-N 3.35Å; R81-Y85 VanDerWaalsContact O-N 3.15Å; V82-Y85 PolarHBondContact O-N 3.39Å; S83-Y85 VanDerWaalsContact C-N 3.32Å; S83-Y85 PolarHBondContact O-N 3.5Å; Y85-F87 PolarHBondContact O-N 3.14Å; Y85-K88 PolarHBondContact O-N 2.84Å; Y85-C89 VanDerWaalsContact CE1-SG 3.56Å; Y85-C89 WeakPolarHBondContact O-CB 3.3Å; Y85-C89 PolarHBondContact O-N 2.99Å; Y85-C89 PolarHBondContact O-SG 3.37Å; Y85-C89 VanDerWaalsContact O-SG 3.36Å
86I90.1Very high88.7Confident96 Ų9668.2 Ų68.249%0.49236%0.357SS..Hα-helixtrans-59.6-50.5179.4-68.9173.4000110.5V82 S83 K88 C89 T90V82-I86 HydrophobicContact CG1-CD1 3.58Å; V82-I86 HydrophobicContact CG1-CG1 4.16Å; V82-I86 WeakPolarHBondContact O-CG1 3.43Å; V82-I86 PolarHBondContact O-N 3.44Å; S83-I86 PolarHBondContact O-N 2.89Å; I86-K88 VanDerWaalsContact C-N 3.26Å; I86-K88 PolarHBondContact O-N 2.92Å; I86-C89 PolarHBondContact O-N 3.24Å; I86-T90 HydrophobicContact CG2-CG2 4.39Å; I86-T90 WeakPolarHBondContact O-CG2 3.39Å; I86-T90 PolarHBondContact O-N 2.91Å; I86-T90 PolarHBondContact O-OG1 3.21Å
87F87.4Confident88.4Confident136 Ų13669.2 Ų69.260%0.59636%0.36SS*.Hα-helixtrans-57.3-40179.5179.4-95.1000112S83 Y85 T90 H91S83-F87 VanDerWaalsContact O-CB 3.29Å; S83-F87 WeakPolarHBondContact O-CB 3.39Å; S83-F87 PolarHBondContact O-N 3.21Å; Y85-F87 PolarHBondContact O-N 3.14Å; F87-T90 PolarHBondContact O-OG1 2.93Å; F87-H91 WeakPolarHBondContact O-CB 3.35Å; F87-H91 PolarHBondContact O-N 3.38Å; F87-H91 VanDerWaalsContact O-N 3.07Å
88K86.4Confident88.1Confident12 Ų1271.9 Ų71.95%0.05237%0.372CS..Hα-helixtrans-75.3-37.9179.4-166.753.8172-179.50112.5L14 E17 L18 I84 Y85 I86 H91 L92L14-K88 VanDerWaalsContact CD1-NZ 3.32Å; E17-K88 IonicContact OE2-NZ 3.83Å; E17-K88 PolarHBondContact OE2-NZ 3.24Å; L18-K88 HydrophobicContact CD1-CG 4.44Å; I84-K88 WeakPolarHBondContact O-CB 3.29Å; I84-K88 PolarHBondContact O-N 2.9Å; I84-K88 VanDerWaalsContact O-N 3.08Å; Y85-K88 PolarHBondContact O-N 2.84Å; I86-K88 VanDerWaalsContact C-N 3.26Å; I86-K88 PolarHBondContact O-N 2.92Å; K88-H91 PolarHBondContact O-N 2.79Å; K88-L92 HydrophobicContact CD-CG 4.4Å; K88-L92 HydrophobicContact CG-CD1 4.11Å; K88-L92 HydrophobicContact CG-CG 4.43Å; K88-L92 WeakPolarHBondContact O-CB 3.34Å; K88-L92 WeakPolarHBondContact O-CG 3.48Å; K88-L92 PolarHBondContact O-N 3.11Å
89C86.9Confident87.8Confident27 Ų2776.8 Ų76.818%0.18239%0.389CS..Hα-helixtrans-59-48.9173.4-75.50000111Y85 I86 H91 L92 S93Y85-C89 VanDerWaalsContact CE1-SG 3.56Å; Y85-C89 WeakPolarHBondContact O-CB 3.3Å; Y85-C89 PolarHBondContact O-N 2.99Å; Y85-C89 PolarHBondContact O-SG 3.37Å; Y85-C89 VanDerWaalsContact O-SG 3.36Å; I86-C89 PolarHBondContact O-N 3.24Å; C89-H91 PolarHBondContact O-N 3.24Å; C89-L92 PolarHBondContact O-N 2.71Å; C89-S93 WeakPolarHBondContact O-CB 3.26Å; C89-S93 PolarHBondContact O-N 3.02Å; C89-S93 PolarHBondContact O-OG 3.3Å
90T89Confident87.6Confident82 Ų8275.8 Ų75.850%0.50338%0.383SS..Hα-helixtrans-63.1-42.3178.456.50000112.1I86 F87 S93 A94I86-T90 HydrophobicContact CG2-CG2 4.39Å; I86-T90 WeakPolarHBondContact O-CG2 3.39Å; I86-T90 PolarHBondContact O-N 2.91Å; I86-T90 PolarHBondContact O-OG1 3.21Å; F87-T90 PolarHBondContact O-OG1 2.93Å; T90-S93 PolarHBondContact O-N 2.94Å; T90-A94 PolarHBondContact O-N 2.89Å
91H84.3Confident87.5Confident55 Ų5574.3 Ų74.326%0.25538%0.377SS..Hα-helixtrans-62-44.1175.7-177.3-77.3000112.4F87 K88 C89 A94 K95F87-H91 WeakPolarHBondContact O-CB 3.35Å; F87-H91 PolarHBondContact O-N 3.38Å; F87-H91 VanDerWaalsContact O-N 3.07Å; K88-H91 PolarHBondContact O-N 2.79Å; C89-H91 PolarHBondContact O-N 3.24Å; H91-A94 PolarHBondContact O-N 3.46Å; H91-K95 WeakPolarHBondContact O-CG 3.47Å; H91-K95 PolarHBondContact O-N 3.1Å; H91-K95 VanDerWaalsContact O-N 3.14Å
92L85.4Confident87.4Confident63 Ų6372.8 Ų72.833%0.3337%0.374SS..Hα-helixtrans-64.6-42.9176.4-78.1169.5000111.7L14 K88 C89 A94 K95 L96L14-L92 HydrophobicContact CD1-CD2 3.62Å; L14-L92 HydrophobicContact CD2-CD2 3.78Å; L14-L92 HydrophobicContact CG-CD2 4.15Å; K88-L92 HydrophobicContact CD-CG 4.4Å; K88-L92 HydrophobicContact CG-CD1 4.11Å; K88-L92 HydrophobicContact CG-CG 4.43Å; K88-L92 WeakPolarHBondContact O-CB 3.34Å; K88-L92 WeakPolarHBondContact O-CG 3.48Å; K88-L92 PolarHBondContact O-N 3.11Å; C89-L92 PolarHBondContact O-N 2.71Å; L92-A94 VanDerWaalsContact C-N 3.31Å; L92-A94 PolarHBondContact O-N 3.43Å; L92-K95 PolarHBondContact O-N 2.96Å; L92-L96 PolarHBondContact O-N 3.16Å
93S87.2Confident87.3Confident48 Ų4871.8 Ų71.834%0.33637%0.37SS..Hα-helixtrans-59.7-40.9175.1-63.60000111.9C89 T90 K95 L96 F97C89-S93 WeakPolarHBondContact O-CB 3.26Å; C89-S93 PolarHBondContact O-N 3.02Å; C89-S93 PolarHBondContact O-OG 3.3Å; T90-S93 PolarHBondContact O-N 2.94Å; S93-K95 PolarHBondContact O-N 3.22Å; S93-L96 PolarHBondContact O-N 2.9Å; S93-F97 WeakPolarHBondContact O-CB 3.44Å; S93-F97 PolarHBondContact O-N 3.29Å
94A86.2Confident87.3Confident49 Ų4972 Ų7241%0.40537%0.365SS..Hα-helixtrans-62.1-42.4175.200000112.1T90 H91 L92 F97 E98T90-A94 PolarHBondContact O-N 2.89Å; H91-A94 PolarHBondContact O-N 3.46Å; L92-A94 VanDerWaalsContact C-N 3.31Å; L92-A94 PolarHBondContact O-N 3.43Å; A94-F97 WeakPolarHBondContact O-CB 3.29Å; A94-F97 PolarHBondContact O-N 3.07Å; A94-E98 PolarHBondContact O-N 3.29Å
95K81.9Confident87.3Confident32 Ų3276 Ų7614%0.13938%0.378CS..Hα-helixtrans-67.4-37176.4-65.6-59.7174.4-167.80113.3S10 H91 L92 S93 F97 E98 K99S10-K95 PolarHBondContact OG-NZ 2.93Å; H91-K95 WeakPolarHBondContact O-CG 3.47Å; H91-K95 PolarHBondContact O-N 3.1Å; H91-K95 VanDerWaalsContact O-N 3.14Å; L92-K95 PolarHBondContact O-N 2.96Å; S93-K95 PolarHBondContact O-N 3.22Å; K95-F97 VanDerWaalsContact C-N 3.32Å; K95-E98 WeakPolarHBondContact CD-OE2 3.27Å; K95-E98 IonicContact NZ-OE1 3.83Å; K95-E98 PolarHBondContact NZ-OE1 3.48Å; K95-E98 IonicContact NZ-OE2 2.98Å; K95-E98 PolarHBondContact NZ-OE2 2.87Å; K95-E98 PolarHBondContact O-N 2.86Å; K95-K99 PolarHBondContact O-N 3.19Å; K95-K99 VanDerWaalsContact O-N 3.1Å
96L83.9Confident87.5Confident82 Ų8272.5 Ų72.543%0.42937%0.373SS..Hα-helixtrans-63.2-41.6172.3-179.460.8000111L92 S93 K99 I100L92-L96 PolarHBondContact O-N 3.16Å; S93-L96 PolarHBondContact O-N 2.9Å; L96-K99 WeakPolarHBondContact O-CB 3.22Å; L96-K99 PolarHBondContact O-N 3.29Å; L96-I100 HydrophobicContact CD1-CD1 4.48Å; L96-I100 HydrophobicContact CG-CD1 4.11Å; L96-I100 WeakPolarHBondContact O-CG1 3.43Å; L96-I100 PolarHBondContact O-N 3.27Å
97F87.6Confident87.7Confident123 Ų12375.7 Ų75.754%0.53938%0.38SS..Hα-helixtrans-63.2-42.9176.9-173.5-114.1000112.5S93 A94 K95 K99 I100 Q101S93-F97 WeakPolarHBondContact O-CB 3.44Å; S93-F97 PolarHBondContact O-N 3.29Å; A94-F97 WeakPolarHBondContact O-CB 3.29Å; A94-F97 PolarHBondContact O-N 3.07Å; K95-F97 VanDerWaalsContact C-N 3.32Å; F97-K99 VanDerWaalsContact C-N 3.31Å; F97-K99 PolarHBondContact O-N 3.46Å; F97-I100 PolarHBondContact O-N 2.89Å; F97-Q101 VanDerWaalsContact CD1-NE2 3.3Å; F97-Q101 HydrophobicContact CE1-CG 4.48Å; F97-Q101 HydrophobicContact CZ-CG 4.48Å; F97-Q101 WeakPolarHBondContact O-CG 3.47Å; F97-Q101 PolarHBondContact O-N 2.75Å
98E87Confident88.1Confident78 Ų7875.4 Ų75.436%0.36438%0.381SS..Hα-helixtrans-56.9-43.1172-73.8172.9-165.100111.6F7 A94 K95 Q101 L102F7-E98 HydrophobicContact CD2-CB 4.17Å; F7-E98 VanDerWaalsContact CD2-OE2 3.3Å; F7-E98 WeakPolarHBondContact CD2-OE2 3.48Å; F7-E98 HydrophobicContact CE2-CB 3.85Å; A94-E98 PolarHBondContact O-N 3.29Å; K95-E98 WeakPolarHBondContact CD-OE2 3.27Å; K95-E98 IonicContact NZ-OE1 3.83Å; K95-E98 PolarHBondContact NZ-OE1 3.48Å; K95-E98 IonicContact NZ-OE2 2.98Å; K95-E98 PolarHBondContact NZ-OE2 2.87Å; K95-E98 PolarHBondContact O-N 2.86Å; E98-Q101 PolarHBondContact O-N 3.25Å; E98-L102 PolarHBondContact O-N 2.92Å
99K86.3Confident88.5Confident135 Ų13579.2 Ų79.259%0.58740%0.401SS*.Hα-helixtrans-63.3-44.4176.5-174.5-176.5175.6-174.50112.3F7 K95 L96 F97 L102 S103F7-K99 HydrophobicContact CZ-CB 4.2Å; K95-K99 PolarHBondContact O-N 3.19Å; K95-K99 VanDerWaalsContact O-N 3.1Å; L96-K99 WeakPolarHBondContact O-CB 3.22Å; L96-K99 PolarHBondContact O-N 3.29Å; F97-K99 VanDerWaalsContact C-N 3.31Å; F97-K99 PolarHBondContact O-N 3.46Å; K99-L102 PolarHBondContact O-N 3.41Å; K99-S103 PolarHBondContact O-N 3.38Å
100I89.5Confident88.9Confident81 Ų8181.9 Ų81.942%0.41542%0.417SS..Hα-helixtrans-61.3-45.8178-69.2166.1000110.2L96 F97 L102 S103 N104L96-I100 HydrophobicContact CD1-CD1 4.48Å; L96-I100 HydrophobicContact CG-CD1 4.11Å; L96-I100 WeakPolarHBondContact O-CG1 3.43Å; L96-I100 PolarHBondContact O-N 3.27Å; F97-I100 PolarHBondContact O-N 2.89Å; I100-L102 VanDerWaalsContact C-N 3.33Å; I100-L102 PolarHBondContact O-N 3.36Å; I100-S103 WeakPolarHBondContact O-CB 3.35Å; I100-S103 PolarHBondContact O-N 3.15Å; I100-N104 PolarHBondContact O-N 2.73Å
101Q89.6Confident89.3Confident69 Ų6981.2 Ų81.232%0.32241%0.41SS..Hα-helixtrans-60.2-43176.8-74.5-171.338.200112.6F97 E98 S103 N104 R105F97-Q101 VanDerWaalsContact CD1-NE2 3.3Å; F97-Q101 HydrophobicContact CE1-CG 4.48Å; F97-Q101 HydrophobicContact CZ-CG 4.48Å; F97-Q101 WeakPolarHBondContact O-CG 3.47Å; F97-Q101 PolarHBondContact O-N 2.75Å; E98-Q101 PolarHBondContact O-N 3.25Å; Q101-S103 VanDerWaalsContact C-N 3.33Å; Q101-N104 PolarHBondContact O-N 3.08Å; Q101-R105 WeakPolarHBondContact O-CG 3.36Å; Q101-R105 PolarHBondContact O-N 3.5Å
102L88.1Confident89.9Confident42 Ų4281.1 Ų81.122%0.2242%0.415CS..Hα-helixtrans-62.1-44.1176.7-178.562.8000110.9I3 E98 K99 I100 N104 R105 C106I3-L102 HydrophobicContact CG1-CD2 4.23Å; E98-L102 PolarHBondContact O-N 2.92Å; K99-L102 PolarHBondContact O-N 3.41Å; I100-L102 VanDerWaalsContact C-N 3.33Å; I100-L102 PolarHBondContact O-N 3.36Å; L102-N104 PolarHBondContact O-N 3.21Å; L102-R105 PolarHBondContact O-N 3.09Å; L102-C106 PolarHBondContact O-N 3.46Å; L102-C106 PolarHBondContact O-SG 3.42Å; L102-C106 VanDerWaalsContact O-SG 3.33Å
103S88.9Confident90.4Very high50 Ų5083.8 Ų83.835%0.3542%0.424SS..Hα-helixtrans-59.1-47.4176.4-1620000111.8K99 I100 Q101 R105 C106 Y107K99-S103 PolarHBondContact O-N 3.38Å; I100-S103 WeakPolarHBondContact O-CB 3.35Å; I100-S103 PolarHBondContact O-N 3.15Å; Q101-S103 VanDerWaalsContact C-N 3.33Å; S103-R105 PolarHBondContact O-N 2.9Å; S103-C106 WeakPolarHBondContact O-CB 3.37Å; S103-C106 PolarHBondContact O-N 3.41Å; S103-C106 VanDerWaalsContact O-N 3.16Å; S103-Y107 WeakPolarHBondContact O-CD2 3.46Å; S103-Y107 PolarHBondContact O-N 3.08Å; S103-Y107 VanDerWaalsContact OG-CE2 3.31Å; S103-Y107 WeakPolarHBondContact OG-CE2 3.32Å
104N91.9Very high90.9Very high83 Ų8385.3 Ų85.344%0.44443%0.428SS..Hα-helixtrans-59.9-44.7178.7-70.8-9.7000111.7I100 Q101 L102 C106 Y107 E108I100-N104 PolarHBondContact O-N 2.73Å; Q101-N104 PolarHBondContact O-N 3.08Å; L102-N104 PolarHBondContact O-N 3.21Å; N104-C106 VanDerWaalsContact C-N 3.3Å; N104-C106 PolarHBondContact O-N 3.46Å; N104-Y107 PolarHBondContact O-N 3.34Å; N104-E108 WeakPolarHBondContact O-CG 3.35Å; N104-E108 PolarHBondContact O-N 3.35Å
105R89.1Confident91.4Very high114 Ų11491 Ų9143%0.4344%0.439SS..Hα-helixtrans-62.2-36.8176.1-69.5174.7-166.7171.48.2112.7M1 Q101 L102 S103 L109M1-R105 HydrophobicContact CE-CB 4.05Å; M1-R105 HydrophobicContact CE-CG 4.34Å; M1-R105 HydrophobicContact SD-CB 4.11Å; Q101-R105 WeakPolarHBondContact O-CG 3.36Å; Q101-R105 PolarHBondContact O-N 3.5Å; L102-R105 PolarHBondContact O-N 3.09Å; S103-R105 PolarHBondContact O-N 2.9Å; R105-L109 WeakPolarHBondContact O-CB 3.38Å; R105-L109 PolarHBondContact O-N 2.75Å; R105-L109 VanDerWaalsContact O-N 3.1Å
106C91.4Very high92.1Very high66 Ų6693.1 Ų93.145%0.44645%0.451SS..Hα-helixtrans-66-44.8174.4-70.80000111.4L102 S103 N104 L109 V110L102-C106 PolarHBondContact O-N 3.46Å; L102-C106 PolarHBondContact O-SG 3.42Å; L102-C106 VanDerWaalsContact O-SG 3.33Å; S103-C106 WeakPolarHBondContact O-CB 3.37Å; S103-C106 PolarHBondContact O-N 3.41Å; S103-C106 VanDerWaalsContact O-N 3.16Å; N104-C106 VanDerWaalsContact C-N 3.3Å; N104-C106 PolarHBondContact O-N 3.46Å; C106-L109 PolarHBondContact O-N 2.94Å; C106-V110 WeakPolarHBondContact O-CG2 3.42Å; C106-V110 PolarHBondContact O-N 2.95Å
107Y94.1Very high92.7Very high163 Ų16394.7 Ų94.764%0.63946%0.459SS*.Hα-helixtrans-60.7-46.6175.7-77-61.1000112S103 N104 L109 V110 D111S103-Y107 WeakPolarHBondContact O-CD2 3.46Å; S103-Y107 PolarHBondContact O-N 3.08Å; S103-Y107 VanDerWaalsContact OG-CE2 3.31Å; S103-Y107 WeakPolarHBondContact OG-CE2 3.32Å; N104-Y107 PolarHBondContact O-N 3.34Å; Y107-L109 VanDerWaalsContact C-N 3.3Å; Y107-L109 PolarHBondContact O-N 3.02Å; Y107-V110 PolarHBondContact O-N 3.08Å; Y107-D111 VanDerWaalsContact O-CB 3.26Å; Y107-D111 WeakPolarHBondContact O-CB 3.47Å; Y107-D111 PolarHBondContact O-N 3.32Å
108E94.9Very high93.2Very high130 Ų13093.4 Ų93.461%0.60746%0.458SS*.Hα-helixtrans-58-41.1176.4-73.3168.6-174.500112.3N104 S112N104-E108 WeakPolarHBondContact O-CG 3.35Å; N104-E108 PolarHBondContact O-N 3.35Å; E108-S112 VanDerWaalsContact O-CB 3.27Å; E108-S112 WeakPolarHBondContact O-CB 3.41Å; E108-S112 PolarHBondContact O-N 2.91Å
109L94.5Very high93.7Very high91 Ų9191.9 Ų91.948%0.47646%0.458SS..Hα-helixtrans-66.6-45.7177.9-178.265.9000111.7R105 C106 Y107 S112 K113R105-L109 WeakPolarHBondContact O-CB 3.38Å; R105-L109 PolarHBondContact O-N 2.75Å; R105-L109 VanDerWaalsContact O-N 3.1Å; C106-L109 PolarHBondContact O-N 2.94Å; Y107-L109 VanDerWaalsContact C-N 3.3Å; Y107-L109 PolarHBondContact O-N 3.02Å; L109-S112 PolarHBondContact O-N 3.26Å; L109-K113 WeakPolarHBondContact O-CG 3.45Å; L109-K113 PolarHBondContact O-N 3.06Å; L109-K113 VanDerWaalsContact O-N 3.1Å
110V96.3Very high94.2Very high84 Ų8488.2 Ų88.251%0.50945%0.446SS..Hα-helixtrans-63.4-47.7178.1171.10000110.2C106 Y107 S112 K113 I114C106-V110 WeakPolarHBondContact O-CG2 3.42Å; C106-V110 PolarHBondContact O-N 2.95Å; Y107-V110 PolarHBondContact O-N 3.08Å; V110-S112 VanDerWaalsContact C-N 3.32Å; V110-S112 PolarHBondContact O-N 3.36Å; V110-K113 PolarHBondContact O-N 3.46Å; V110-I114 HydrophobicContact CG1-CD1 3.8Å; V110-I114 HydrophobicContact CG1-CG1 4.36Å; V110-I114 WeakPolarHBondContact O-CG1 3.1Å; V110-I114 PolarHBondContact O-N 3.43Å
111D97Very high94.5Very high67 Ų6789.1 Ų89.136%0.35845%0.45SS..Hα-helixtrans-60.1-41.9178.3-173.969000111.7Y107 K113 I114 R115Y107-D111 VanDerWaalsContact O-CB 3.26Å; Y107-D111 WeakPolarHBondContact O-CB 3.47Å; Y107-D111 PolarHBondContact O-N 3.32Å; D111-K113 VanDerWaalsContact C-N 3.31Å; D111-K113 PolarHBondContact O-N 3.29Å; D111-I114 PolarHBondContact O-N 3.06Å; D111-R115 WeakPolarHBondContact O-CG 3.32Å; D111-R115 PolarHBondContact O-N 3.02Å; D111-R115 IonicContact OD2-CZ 3.13Å; D111-R115 IonicContact OD2-NE 2.83Å; D111-R115 PolarHBondContact OD2-NE 3.4Å; D111-R115 IonicContact OD2-NH2 2.64Å; D111-R115 PolarHBondContact OD2-NH2 3.4Å
112S96.1Very high94.8Very high54 Ų5488.4 Ų88.438%0.37846%0.457SS..Hα-helixtrans-59-39.5172.7173.50000112.7E108 L109 V110 I116E108-S112 VanDerWaalsContact O-CB 3.27Å; E108-S112 WeakPolarHBondContact O-CB 3.41Å; E108-S112 PolarHBondContact O-N 2.91Å; L109-S112 PolarHBondContact O-N 3.26Å; V110-S112 VanDerWaalsContact C-N 3.32Å; V110-S112 PolarHBondContact O-N 3.36Å; S112-I116 WeakPolarHBondContact O-CG1 3.34Å; S112-I116 PolarHBondContact O-N 2.93Å
113K96.8Very high95.2Very high119 Ų11993 Ų9352%0.51747%0.471SS..Hα-helixtrans-73-36.8177.5-65.7-56.9176.7-171.40112.8L109 V110 D111 I116 L117L109-K113 WeakPolarHBondContact O-CG 3.45Å; L109-K113 PolarHBondContact O-N 3.06Å; L109-K113 VanDerWaalsContact O-N 3.1Å; V110-K113 PolarHBondContact O-N 3.46Å; D111-K113 VanDerWaalsContact C-N 3.31Å; D111-K113 PolarHBondContact O-N 3.29Å; K113-I116 HydrophobicContact CD-CD1 4.37Å; K113-I116 PolarHBondContact O-N 3.22Å; K113-L117 WeakPolarHBondContact O-CG 3.45Å; K113-L117 PolarHBondContact O-N 3.31Å
114I97.4Very high95.5Very high80 Ų8094 Ų9441%0.4148%0.478SS..Hα-helixtrans-58.8-50.9172.7-68.7168.6000109.7V110 D111 I116 L117 D118V110-I114 HydrophobicContact CG1-CD1 3.8Å; V110-I114 HydrophobicContact CG1-CG1 4.36Å; V110-I114 WeakPolarHBondContact O-CG1 3.1Å; V110-I114 PolarHBondContact O-N 3.43Å; D111-I114 PolarHBondContact O-N 3.06Å; I114-I116 VanDerWaalsContact C-N 3.28Å; I114-I116 PolarHBondContact O-N 2.91Å; I114-L117 PolarHBondContact O-N 2.9Å; I114-L117 VanDerWaalsContact O-N 3.08Å; I114-D118 WeakPolarHBondContact CG2-OD2 3.3Å; I114-D118 VanDerWaalsContact O-CG 3.32Å; I114-D118 PolarHBondContact O-N 3.47Å
115R97.2Very high95.7Very high169 Ų16994.7 Ų94.764%0.63848%0.479SS*.Hα-helixtrans-57.8-37.6178.8-67.4-178.5-152.5-163.65.3113.5D111 A119D111-R115 WeakPolarHBondContact O-CG 3.32Å; D111-R115 PolarHBondContact O-N 3.02Å; D111-R115 IonicContact OD2-CZ 3.13Å; D111-R115 IonicContact OD2-NE 2.83Å; D111-R115 PolarHBondContact OD2-NE 3.4Å; D111-R115 IonicContact OD2-NH2 2.64Å; D111-R115 PolarHBondContact OD2-NH2 3.4Å; R115-A119 WeakPolarHBondContact O-CB 3.33Å; R115-A119 PolarHBondContact O-N 3.34Å; R115-A119 VanDerWaalsContact O-N 3.12Å
116I96.9Very high96Very high76 Ų7694 Ų9439%0.3948%0.48SS..Hα-helixtrans-67-48176.3-68.9165.5000110.2S112 K113 I114 D118 A119 D120S112-I116 WeakPolarHBondContact O-CG1 3.34Å; S112-I116 PolarHBondContact O-N 2.93Å; K113-I116 HydrophobicContact CD-CD1 4.37Å; K113-I116 PolarHBondContact O-N 3.22Å; I114-I116 VanDerWaalsContact C-N 3.28Å; I114-I116 PolarHBondContact O-N 2.91Å; I116-D118 VanDerWaalsContact C-N 3.34Å; I116-D118 PolarHBondContact O-N 3.42Å; I116-A119 PolarHBondContact O-N 3Å; I116-D120 WeakPolarHBondContact O-CB 3.29Å; I116-D120 PolarHBondContact O-N 3.46Å; I116-D120 VanDerWaalsContact O-OD1 3.12Å
117L96.8Very high96.1Very high114 Ų11495.7 Ų95.760%0.59749%0.485SS*.Hα-helixtrans-62.5-40.7178.9-71.6170.9000112.1K113 I114 A119 D120 L121K113-L117 WeakPolarHBondContact O-CG 3.45Å; K113-L117 PolarHBondContact O-N 3.31Å; I114-L117 PolarHBondContact O-N 2.9Å; I114-L117 VanDerWaalsContact O-N 3.08Å; L117-A119 VanDerWaalsContact C-N 3.34Å; L117-A119 PolarHBondContact O-N 3.33Å; L117-D120 PolarHBondContact O-N 3.03Å; L117-L121 VanDerWaalsContact O-CB 3.29Å; L117-L121 WeakPolarHBondContact O-CB 3.29Å; L117-L121 PolarHBondContact O-N 2.99Å
118D97.4Very high96.1Very high96 Ų9693.6 Ų93.651%0.51348%0.484SS..Hα-helixtrans-62.1-41.8175.7-69.5-21.6000111.3I114 I116 A122I114-D118 WeakPolarHBondContact CG2-OD2 3.3Å; I114-D118 VanDerWaalsContact O-CG 3.32Å; I114-D118 PolarHBondContact O-N 3.47Å; I116-D118 VanDerWaalsContact C-N 3.34Å; I116-D118 PolarHBondContact O-N 3.42Å; D118-A122 WeakPolarHBondContact O-CB 3.44Å; D118-A122 PolarHBondContact O-N 3.25Å
119A96.7Very high96.1Very high46 Ų4693.3 Ų93.338%0.3848%0.481SS..Hα-helixtrans-66.8-37.6175.600000112.3R115 I116 L117 R123R115-A119 WeakPolarHBondContact O-CB 3.33Å; R115-A119 PolarHBondContact O-N 3.34Å; R115-A119 VanDerWaalsContact O-N 3.12Å; I116-A119 PolarHBondContact O-N 3Å; L117-A119 VanDerWaalsContact C-N 3.34Å; L117-A119 PolarHBondContact O-N 3.33Å; A119-R123 WeakPolarHBondContact O-CG 3.31Å; A119-R123 PolarHBondContact O-N 3.35Å; A119-R123 VanDerWaalsContact O-N 3.16Å; A119-R123 PolarHBondContact O-NH1 2.87Å
120D97.1Very high96Very high59 Ų5993.9 Ų93.932%0.31648%0.481SS..Hα-helixtrans-71-39.1178.4-68.96.1000111.4I116 L117 R123 S124I116-D120 WeakPolarHBondContact O-CB 3.29Å; I116-D120 PolarHBondContact O-N 3.46Å; I116-D120 VanDerWaalsContact O-OD1 3.12Å; L117-D120 PolarHBondContact O-N 3.03Å; D120-R123 PolarHBondContact O-N 3.17Å; D120-R123 IonicContact OD1-CZ 3.11Å; D120-R123 IonicContact OD1-NH1 2.85Å; D120-R123 PolarHBondContact OD1-NH1 3.45Å; D120-R123 IonicContact OD1-NH2 2.6Å; D120-R123 PolarHBondContact OD1-NH2 2.91Å; D120-R123 IonicContact OD2-NH2 3.98Å; D120-S124 WeakPolarHBondContact O-CB 3.46Å; D120-S124 PolarHBondContact O-N 3.35Å; D120-S124 PolarHBondContact O-OG 2.99Å
121L96.2Very high95.8Very high99 Ų9991.9 Ų91.952%0.51848%0.478SS..Hα-helixtrans-62-48.3173.4-176.963.6000110.5L117 R123 S124 E125L117-L121 VanDerWaalsContact O-CB 3.29Å; L117-L121 WeakPolarHBondContact O-CB 3.29Å; L117-L121 PolarHBondContact O-N 2.99Å; L121-R123 VanDerWaalsContact C-N 3.31Å; L121-R123 PolarHBondContact O-N 3.45Å; L121-S124 PolarHBondContact O-N 3.03Å; L121-S124 VanDerWaalsContact O-N 3.16Å; L121-E125 WeakPolarHBondContact O-CG 3.36Å; L121-E125 PolarHBondContact O-N 3.12Å
122A96.6Very high95.6Very high55 Ų5592.8 Ų92.846%0.45548%0.481SS..Hα-helixtrans-59.8-38.3177.800000113D118 H126D118-A122 WeakPolarHBondContact O-CB 3.44Å; D118-A122 PolarHBondContact O-N 3.25Å; A122-H126 PolarHBondContact O-N 3.01Å; A122-H126 VanDerWaalsContact O-N 3.17Å
123R96.1Very high95.4Very high137 Ų13796.1 Ų96.152%0.51749%0.491SS..Hα-helixtrans-66.7-45.6173.8-70.4-167.4-47.9-82.412.8111.7A119 D120 L121 E125 H126 D127A119-R123 WeakPolarHBondContact O-CG 3.31Å; A119-R123 PolarHBondContact O-N 3.35Å; A119-R123 VanDerWaalsContact O-N 3.16Å; A119-R123 PolarHBondContact O-NH1 2.87Å; D120-R123 PolarHBondContact O-N 3.17Å; D120-R123 IonicContact OD1-CZ 3.11Å; D120-R123 IonicContact OD1-NH1 2.85Å; D120-R123 PolarHBondContact OD1-NH1 3.45Å; D120-R123 IonicContact OD1-NH2 2.6Å; D120-R123 PolarHBondContact OD1-NH2 2.91Å; D120-R123 IonicContact OD2-NH2 3.98Å; L121-R123 VanDerWaalsContact C-N 3.31Å; L121-R123 PolarHBondContact O-N 3.45Å; R123-E125 VanDerWaalsContact C-N 3.32Å; R123-E125 PolarHBondContact O-N 2.99Å; R123-H126 WeakPolarHBondContact O-CB 3.49Å; R123-H126 PolarHBondContact O-N 3.47Å; R123-H126 VanDerWaalsContact O-N 3.15Å; R123-D127 VanDerWaalsContact O-CG 3.32Å; R123-D127 PolarHBondContact O-N 3.48Å
124S94.6Very high95.1Very high72 Ų7293.1 Ų93.150%0.50349%0.489SS..Hα-helixtrans-62.2-38.8179-55.60000112.2D120 L121 L128D120-S124 WeakPolarHBondContact O-CB 3.46Å; D120-S124 PolarHBondContact O-N 3.35Å; D120-S124 PolarHBondContact O-OG 2.99Å; L121-S124 PolarHBondContact O-N 3.03Å; L121-S124 VanDerWaalsContact O-N 3.16Å; S124-L128 WeakPolarHBondContact O-CB 3.46Å; S124-L128 PolarHBondContact O-N 3.14Å
125E96Very high94.7Very high98 Ų9892 Ų9246%0.45849%0.491SS..Hα-helixtrans-64.4-40.5173.8-74.2-174.3174.600112.7L121 R123 K129L121-E125 WeakPolarHBondContact O-CG 3.36Å; L121-E125 PolarHBondContact O-N 3.12Å; R123-E125 VanDerWaalsContact C-N 3.32Å; R123-E125 PolarHBondContact O-N 2.99Å; E125-K129 WeakPolarHBondContact O-CB 3.38Å; E125-K129 VanDerWaalsContact O-CG 3.28Å; E125-K129 WeakPolarHBondContact O-CG 3.43Å; E125-K129 PolarHBondContact O-N 3.43Å
126H95.1Very high94.3Very high99 Ų9989.8 Ų89.846%0.45849%0.488SS..Hα-helixtrans-65.7-46.4177171.1-92.1000111.4A122 R123 L128 K129 Q130A122-H126 PolarHBondContact O-N 3.01Å; A122-H126 VanDerWaalsContact O-N 3.17Å; R123-H126 WeakPolarHBondContact O-CB 3.49Å; R123-H126 PolarHBondContact O-N 3.47Å; R123-H126 VanDerWaalsContact O-N 3.15Å; H126-L128 VanDerWaalsContact C-N 3.34Å; H126-L128 PolarHBondContact O-N 3.34Å; H126-K129 PolarHBondContact O-N 3.32Å; H126-Q130 VanDerWaalsContact CE1-CD 3.41Å; H126-Q130 PolarHBondContact CE1-NE2 3.07Å; H126-Q130 PolarHBondContact NE2-NE2 3.46Å; H126-Q130 WeakPolarHBondContact O-CG 3.33Å; H126-Q130 PolarHBondContact O-N 3.45Å
127D95.1Very high93.9Very high101 Ų10188.8 Ų88.854%0.5449%0.491SS..Hα-helixtrans-64.7-38.7179.4-65.3-10000111.5R123 Q130 G131R123-D127 VanDerWaalsContact O-CG 3.32Å; R123-D127 PolarHBondContact O-N 3.48Å; D127-Q130 PolarHBondContact O-N 2.94Å; D127-G131 PolarHBondContact O-N 3.25Å
128L93Very high93.4Very high119 Ų11986.8 Ų86.862%0.62349%0.487SS*.Hα-helixtrans-64.9-42.7174.5-169.968.9000111.8S124 H126 Q130 G131 I132S124-L128 WeakPolarHBondContact O-CB 3.46Å; S124-L128 PolarHBondContact O-N 3.14Å; H126-L128 VanDerWaalsContact C-N 3.34Å; H126-L128 PolarHBondContact O-N 3.34Å; L128-Q130 PolarHBondContact O-N 3.42Å; L128-G131 PolarHBondContact O-N 3.03Å; L128-I132 HydrophobicContact CG-CD1 4.17Å; L128-I132 VanDerWaalsContact O-CG1 3.3Å; L128-I132 WeakPolarHBondContact O-CG1 3.37Å; L128-I132 PolarHBondContact O-N 2.91Å
129K94.5Very high92.7Very high124 Ų12485.9 Ų85.954%0.53948%0.484SS..Hα-helixtrans-61.4-42.5174.9-76.9168.9-176.3163.50111.7E125 H126 I132 Q133E125-K129 WeakPolarHBondContact O-CB 3.38Å; E125-K129 VanDerWaalsContact O-CG 3.28Å; E125-K129 WeakPolarHBondContact O-CG 3.43Å; E125-K129 PolarHBondContact O-N 3.43Å; H126-K129 PolarHBondContact O-N 3.32Å; K129-I132 PolarHBondContact O-N 3.24Å; K129-Q133 VanDerWaalsContact O-CG 3.27Å; K129-Q133 WeakPolarHBondContact O-CG 3.43Å; K129-Q133 PolarHBondContact O-N 3.48Å
130Q92.8Very high91.8Very high103 Ų10390.2 Ų90.248%0.48150%0.497SS..Hα-helixtrans-64.9-41.6175.3-70.6-166.4-5.400112.1H126 D127 L128 Q133 A134H126-Q130 VanDerWaalsContact CE1-CD 3.41Å; H126-Q130 PolarHBondContact CE1-NE2 3.07Å; H126-Q130 PolarHBondContact NE2-NE2 3.46Å; H126-Q130 WeakPolarHBondContact O-CG 3.33Å; H126-Q130 PolarHBondContact O-N 3.45Å; D127-Q130 PolarHBondContact O-N 2.94Å; L128-Q130 PolarHBondContact O-N 3.42Å; Q130-Q133 PolarHBondContact O-N 2.96Å; Q130-A134 WeakPolarHBondContact O-CB 3.39Å; Q130-A134 PolarHBondContact O-N 3.3Å
131G93.6Very high90.8Very high43 Ų4395.5 Ų95.544%0.44352%0.517SS..Hα-helixtrans-61.8-42.4176.100000113D127 L128 A134 A135D127-G131 PolarHBondContact O-N 3.25Å; L128-G131 PolarHBondContact O-N 3.03Å; G131-A134 PolarHBondContact O-N 2.97Å; G131-A135 WeakPolarHBondContact O-CB 3.48Å; G131-A135 PolarHBondContact O-N 3.14Å
132I91.7Very high89.3Confident85 Ų8597.8 Ų97.844%0.43653%0.525SS..Hα-helixtrans-63.4-48174.9-68.1165.7000110.5L128 K129 A134 A135 E136L128-I132 HydrophobicContact CG-CD1 4.17Å; L128-I132 VanDerWaalsContact O-CG1 3.3Å; L128-I132 WeakPolarHBondContact O-CG1 3.37Å; L128-I132 PolarHBondContact O-N 2.91Å; K129-I132 PolarHBondContact O-N 3.24Å; I132-A134 VanDerWaalsContact C-N 3.32Å; I132-A134 PolarHBondContact O-N 3.45Å; I132-A135 PolarHBondContact O-N 3.27Å; I132-E136 HydrophobicContact CG2-CG 4.28Å; I132-E136 WeakPolarHBondContact O-CB 3.32Å; I132-E136 WeakPolarHBondContact O-CG 3.43Å; I132-E136 PolarHBondContact O-N 2.97Å
133Q91.2Very high87.7Confident125 Ų125100.9 Ų100.958%0.58453%0.532SS*.Hα-helixtrans-60.9-38.9178.4-72.9173.1600112.6K129 Q130 A137K129-Q133 VanDerWaalsContact O-CG 3.27Å; K129-Q133 WeakPolarHBondContact O-CG 3.43Å; K129-Q133 PolarHBondContact O-N 3.48Å; Q130-Q133 PolarHBondContact O-N 2.96Å; Q133-A137 WeakPolarHBondContact O-CB 3.44Å; Q133-A137 PolarHBondContact O-N 3.36Å
134A90.9Very high86Confident56 Ų5697.4 Ų97.446%0.46354%0.54SS..Hα-helixtrans-67.7-38.4176.300000112.4Q130 G131 I132 S138Q130-A134 WeakPolarHBondContact O-CB 3.39Å; Q130-A134 PolarHBondContact O-N 3.3Å; G131-A134 PolarHBondContact O-N 2.97Å; I132-A134 VanDerWaalsContact C-N 3.32Å; I132-A134 PolarHBondContact O-N 3.45Å; A134-S138 WeakPolarHBondContact O-CB 3.43Å; A134-S138 PolarHBondContact O-N 2.92Å; A134-S138 VanDerWaalsContact O-N 3.09Å; A134-S138 PolarHBondContact O-OG 2.87Å
135A90Very high84.2Confident55 Ų5598.1 Ų98.146%0.45554%0.544SS..Hα-helixtrans-66.7-46.1174.700000111.5G131 I132 A137 S138 V139G131-A135 WeakPolarHBondContact O-CB 3.48Å; G131-A135 PolarHBondContact O-N 3.14Å; I132-A135 PolarHBondContact O-N 3.27Å; A135-A137 PolarHBondContact O-N 3.26Å; A135-S138 PolarHBondContact O-N 3.15Å; A135-S138 VanDerWaalsContact O-N 3.16Å; A135-V139 WeakPolarHBondContact O-CG2 3.48Å; A135-V139 PolarHBondContact O-N 2.95Å
136E89.1Confident82Confident124 Ų124100.5 Ų100.558%0.57956%0.561SS**Hα-helixtrans-58.7-44.3175.5-73.3176.4167.600111.8I132 S138 V139 Q140I132-E136 HydrophobicContact CG2-CG 4.28Å; I132-E136 WeakPolarHBondContact O-CB 3.32Å; I132-E136 WeakPolarHBondContact O-CG 3.43Å; I132-E136 PolarHBondContact O-N 2.97Å; E136-S138 VanDerWaalsContact C-N 3.31Å; E136-S138 PolarHBondContact O-N 2.85Å; E136-V139 PolarHBondContact O-N 3.36Å; E136-Q140 WeakPolarHBondContact O-CB 3.39Å; E136-Q140 PolarHBondContact O-N 2.97Å
137A87.3Confident79.6Confident55 Ų5599.4 Ų99.446%0.45558%0.576SS.*Hα-helixtrans-64.6-33.2176.700000113.1Q133 A135 K141Q133-A137 WeakPolarHBondContact O-CB 3.44Å; Q133-A137 PolarHBondContact O-N 3.36Å; A135-A137 PolarHBondContact O-N 3.26Å; A137-K141 PolarHBondContact O-N 2.9Å; A137-K141 VanDerWaalsContact O-N 3.17Å
138S86.3Confident77.2Confident72 Ų7299.6 Ų99.650%0.50359%0.591SS.*Hα-helixtrans-71.6-41.6177-60.10000111.6A134 A135 E136 K141 Q142A134-S138 WeakPolarHBondContact O-CB 3.43Å; A134-S138 PolarHBondContact O-N 2.92Å; A134-S138 VanDerWaalsContact O-N 3.09Å; A134-S138 PolarHBondContact O-OG 2.87Å; A135-S138 PolarHBondContact O-N 3.15Å; A135-S138 VanDerWaalsContact O-N 3.16Å; E136-S138 VanDerWaalsContact C-N 3.31Å; E136-S138 PolarHBondContact O-N 2.85Å; S138-K141 PolarHBondContact O-N 3.19Å; S138-Q142 PolarHBondContact O-N 3.41Å
139V82.6Confident74.9Confident77 Ų77101.2 Ų101.247%0.46760%0.6SS.*Hα-helixtrans-64.1-42.9174.7174.50000110.7A135 E136 K141 Q142 I143A135-V139 WeakPolarHBondContact O-CG2 3.48Å; A135-V139 PolarHBondContact O-N 2.95Å; E136-V139 PolarHBondContact O-N 3.36Å; V139-K141 VanDerWaalsContact C-N 3.32Å; V139-K141 PolarHBondContact O-N 3.43Å; V139-Q142 PolarHBondContact O-N 3.06Å; V139-I143 HydrophobicContact CG1-CD1 3.73Å; V139-I143 HydrophobicContact CG1-CG1 4.47Å; V139-I143 WeakPolarHBondContact O-CG1 3.42Å; V139-I143 PolarHBondContact O-N 3.48Å
140Q77.5Confident72.8Confident136 Ų136103.4 Ų103.464%0.63661%0.613SS**Hα-helixtrans-63.9-34.9178.7-169.164.121.200112.7E136 G144E136-Q140 WeakPolarHBondContact O-CB 3.39Å; E136-Q140 PolarHBondContact O-N 2.97Å; Q140-G144 PolarHBondContact O-N 3Å; Q140-G144 VanDerWaalsContact O-N 3.15Å
141K76Confident70.8Confident170 Ų170104.4 Ų104.474%0.73963%0.626SS**Hα-helixtrans-68.4-36.1174.2-83.4-178178.9178.50112.9A137 S138 V139 G144A137-K141 PolarHBondContact O-N 2.9Å; A137-K141 VanDerWaalsContact O-N 3.17Å; S138-K141 PolarHBondContact O-N 3.19Å; V139-K141 VanDerWaalsContact C-N 3.32Å; V139-K141 PolarHBondContact O-N 3.43Å; K141-G144 PolarHBondContact O-N 3.43Å
142Q66Low68.4Low148 Ų148106.8 Ų106.869%0.69264%0.642SS**Hα-helixtrans-71.2-33177.2-72.3-177-21.700112.4S138 V139S138-Q142 PolarHBondContact O-N 3.41Å; V139-Q142 PolarHBondContact O-N 3.06Å
143I63.6Low66.1Low119 Ų119107.8 Ų107.861%0.6166%0.663SS**Hα-helixtrans-78.2-23.7177.5-61.2169000111.6V139V139-I143 HydrophobicContact CG1-CD1 3.73Å; V139-I143 HydrophobicContact CG1-CG1 4.47Å; V139-I143 WeakPolarHBondContact O-CG1 3.42Å; V139-I143 PolarHBondContact O-N 3.48Å
144G59.2Low64.4Low65 Ų65110.8 Ų110.867%0.6768%0.677SS**THydrogen-bonded Turntrans-86.2-5.8-174.800000117Q140 K141Q140-G144 PolarHBondContact O-N 3Å; Q140-G144 VanDerWaalsContact O-N 3.15Å; K141-G144 PolarHBondContact O-N 3.43Å
145S56Low62.3Low86 Ų86113.9 Ų113.960%0.60169%0.692SS**SBendtrans-100.3-15.4-178.365.60000115.4
146D51.8Low60Low149 Ų149114.4 Ų114.480%0.79770%0.703SS**SBendtrans-116.249.3-170.2-68.7-1.4000112.5
147G44.2Very low58.2Low75 Ų75115.2 Ų115.277%0.77372%0.716SS**  trans-151.559.8-174.400000115.1
148A43.6Very low56.5Low105 Ų105116.6 Ų116.687%0.86872%0.723SS**SBendtrans-14558.6168.200000111.8
149D45.2Very low54.8Low153 Ų153122 Ų12282%0.81874%0.74SS**  trans-169.7157.3147.1-143.7-13.8000111.4
150E50.1Low53.1Low170 Ų170122 Ų12279%0.79475%0.749SS**  trans8483.6168.1-71.3-172.5103.300120.8
151T50.7Low52Low124 Ų124122.9 Ų122.976%0.76176%0.756SS**  42104.7108-36.50000119.6
152A43.2Very low50.8Low94 Ų94120.2 Ų120.278%0.77775%0.754SS**  trans28.7111134.200000120.2
153A42.9Very low50Low106 Ų106120 Ų12088%0.87676%0.758SS**  177.5136122.400000112
154Q55.7Low49.5Very low187 Ų187119.7 Ų119.787%0.87477%0.766SS**  trans-80.4-168.9177.3-60.9-172.6-42.900112.7
155P46.7Very low48.9Very low122 Ų122122.1 Ų122.179%0.79277%0.77SS**  -132.3173.7-66.337.7-20.8000112.5
156G43.2Very low48Very low66 Ų66126.4 Ų126.468%0.6878%0.778SS**  trans-179.7101.1166.700000116.2
157T50.6Low47.8Very low140 Ų140131.1 Ų131.186%0.85978%0.784SS**  trans21.5133.5135.516.20000118.9
158S51.1Low47.6Very low84 Ų84136.1 Ų136.159%0.58779%0.785SS**  cis-176.2143.842.7-92.10000112.3
159Q51.1Low47.1Very low185 Ų185135.1 Ų135.186%0.86478%0.784SS**  trans60.4129.8136.8-56.4171.914.100118.6
160A45.9Very low46.9Very low79 Ų79132.8 Ų132.865%0.65379%0.786SS**  -179.1129.960.200000114.2
161I54.4Low46.6Very low153 Ų153133.3 Ų133.379%0.78579%0.789SS**  trans58.5122.8130.9-27.1157.8000118.3
162T52.5Low46.5Very low115 Ų115136.4 Ų136.471%0.70680%0.795SS**  -167.9135.257.748.10000114.2
163N48.3Very low46.2Very low143 Ų143137.9 Ų137.977%0.76580%0.8SS**  trans50.8108.4138.5-54-23.1000122.3
164S53.3Low45.9Very low112 Ų112136.4 Ų136.478%0.78380%0.795SS**  85.1151.475-73.60000115.6
165P45.8Very low45.3Very low116 Ų116136.6 Ų136.675%0.75380%0.795SS**  cis-144.1135.8-34.337.2-16.9000116.7
166K38.1Very low45.1Very low177 Ų177136.1 Ų136.177%0.7780%0.795SS**  34.5118.1123.9-153.5172.8-163.6169.40121.9
167R46.5Very low44.8Very low248 Ų248139.7 Ų139.794%0.93680%0.804SS**  trans-151.2100.9136.6-83.1-170.1172.3-179.8-3.2108.6
168K40Very low44.6Very low180 Ų180140.3 Ų140.378%0.78380%0.8SS**  47.2101.992.1-71.5-167.8176.9-174.30113.2
169G34.9Very low44.1Very low83 Ų83145 Ų14586%0.85681%0.81SS**  104.8142.29800000108.6
170A40.9Very low43.4Very low104 Ų104145.4 Ų145.486%0.8681%0.809SS**  cis-158.1155.317.300000109.8
171Q42.3Very low43.2Very low182 Ų182151.1 Ų151.185%0.8582%0.822SS**  trans-67151.7163.9-66.7160.8-47.300111.2
172Q48.8Very low42.5Very low188 Ų188154.8 Ų154.888%0.87983%0.826SS**  trans153.8107140.7-84.8166.13000107.6
173S37.5Very low41.8Very low126 Ų126155.2 Ų155.288%0.88183%0.829SS**  46.5107.582.3-174.80000112.2
174G37.2Very low41.4Very low75 Ų75156.9 Ų156.977%0.77383%0.832SS**  trans-177.165.6-178.900000112.6S176G174-S176 PolarHBondContact O-N 3.49Å
175Q42.5Very low40.3Very low190 Ų190156.5 Ų156.589%0.88883%0.829SS**  trans-63.9111.6159.2-173.2176.437.800107.8
176S43Very low40Very low113 Ų113156.5 Ų156.579%0.7983%0.829SS**  trans-160.9129.4162.8-92.60000114.4G174G174-S176 PolarHBondContact O-N 3.49Å
177T36.4Very low39.8Very low141 Ų141153.8 Ų153.887%0.86583%0.827SS**  trans-79.7109.1177.7-42.30000110.7
178I47.1Very low39.5Very low153 Ų153148.5 Ų148.579%0.78582%0.823SS**  trans-148.1104.3163.1-58.9-175000108.8
179K39.6Very low39.6Very low182 Ų182145.3 Ų145.379%0.79182%0.823SS**  70.9104.590.1-122.1176.2-170.1175.50115.1
180K35.9Very low39.8Very low193 Ų193150.7 Ų150.784%0.83983%0.826SS**  trans46.9113.1140-72.7178.4174.4177.30118.8
181Q42.6Very low39.8Very low200 Ų200152.9 Ų152.994%0.93582%0.818SS**  trans-139.7125.4134.5-104.6172.8-6.600110.3
182R39.6Very low39.8Very low230 Ų230151.4 Ų151.487%0.86882%0.816SS**  trans-89.6140.8174.1-65.4163.472.31784.1107.3
183T37.5Very low39.9Very low123 Ų123148.8 Ų148.876%0.75580%0.804SS**  trans-165.6112.2139.132.90000112
184H40.7Very low40.6Very low178 Ų178148.3 Ų148.382%0.82480%0.801SS**  trans67.7107.6143.4-57.6-66.4000123.3
185S29.7Very low41.6Very low105 Ų105150 Ų15073%0.73479%0.791SS**  trans-64.6165.8158.2-39.70000113
186P39Very low42.5Very low116 Ų116147.8 Ų147.875%0.75378%0.778SS**  -138.9123.279.320.22.9000113.8
187T34.9Very low43.3Very low119 Ų119147.5 Ų147.573%0.7377%0.767SS**  56.6102.510659.50000117.3
188T40.3Very low44.7Very low137 Ų137146 Ų14684%0.8476%0.762SS**  trans-161.4103.5135.413.20000111.5
189S41.1Very low45.3Very low114 Ų114146.2 Ų146.280%0.79776%0.76SS**  trans30.2106.814647.20000120.4
190Q39.7Very low46.3Very low196 Ų196140.1 Ų140.192%0.91674%0.736SS**  trans-68131.3155.6-66.1170.8-17.400110.3
191H41.1Very low47.8Very low149 Ų149135 Ų13569%0.6973%0.725SS**  trans-137.489.3153.9-161-53.2000107.7Q193H191-Q193 VanDerWaalsContact CE1-CG 3.4Å; H191-Q193 WeakPolarHBondContact CE1-CG 3.41Å; H191-Q193 PolarHBondContact CE1-NE2 2.99Å; H191-Q193 WeakPolarHBondContact ND1-CG 3.42Å; H191-Q193 PolarHBondContact ND1-NE2 3.22Å; H191-Q193 PolarHBondContact O-N 2.8Å
192D42.2Very low48.6Very low152 Ų152127.6 Ų127.681%0.81370%0.702SS**  trans-75.3107172.5-166.95.7000108.3
193Q49.9Very low50Low132 Ų132121.3 Ų121.362%0.61769%0.689SS**  trans-114.694167.9-88176.42500107.8H191 I195H191-Q193 VanDerWaalsContact CE1-CG 3.4Å; H191-Q193 WeakPolarHBondContact CE1-CG 3.41Å; H191-Q193 PolarHBondContact CE1-NE2 2.99Å; H191-Q193 WeakPolarHBondContact ND1-CG 3.42Å; H191-Q193 PolarHBondContact ND1-NE2 3.22Å; H191-Q193 PolarHBondContact O-N 2.8Å; Q193-I195 HydrophobicContact CB-CG1 4.5Å; Q193-I195 PolarHBondContact O-N 2.92Å
194S52.3Low51.4Low116 Ų116117.2 Ų117.281%0.81167%0.668SS**  trans-66.597.4164-161.70000108.5K196S194-K196 PolarHBondContact O-N 3.43Å
195I58.8Low52.5Low110 Ų110110.5 Ų110.556%0.56464%0.638SS**  trans-80.4118.5177-53.5178.3000108.3Q193 L197 L200Q193-I195 HydrophobicContact CB-CG1 4.5Å; Q193-I195 PolarHBondContact O-N 2.92Å; I195-L197 PolarHBondContact O-N 3.44Å; I195-L197 VanDerWaalsContact O-N 3.09Å; I195-L200 HydrophobicContact CG2-CD1 3.59Å; I195-L200 HydrophobicContact CG2-CG 4.23Å
196K61.5Low54.3Low145 Ų145108.2 Ų108.263%0.6362%0.616SS**  trans-64.8109173.2-71.8-179.8-179.5174.40109.7S194 S198 E199S194-K196 PolarHBondContact O-N 3.43Å; K196-S198 PolarHBondContact O-N 3.05Å; K196-E199 PolarHBondContact O-N 2.67Å; K196-E199 VanDerWaalsContact O-N 3.09Å
197L60.1Low55.5Low106 Ų106111.4 Ų111.456%0.55561%0.613SS**G310 helixtrans-56.2-20.2-178.4-153.772.3000113.8I195 E199 L200 L205I195-L197 PolarHBondContact O-N 3.44Å; I195-L197 VanDerWaalsContact O-N 3.09Å; L197-E199 VanDerWaalsContact C-N 3.3Å; L197-E199 PolarHBondContact O-N 3.49Å; L197-L200 HydrophobicContact CD1-CD1 4.21Å; L197-L205 HydrophobicContact CD1-CD1 3.59Å; L197-L205 HydrophobicContact CD2-CD1 4.17Å; L197-L205 HydrophobicContact CG-CD1 3.68Å
198S65.1Low56.9Low109 Ų109112.2 Ų112.276%0.76261%0.609SS**G310 helixtrans-71.9-15.2178.454.10000115.1K196K196-S198 PolarHBondContact O-N 3.05Å
199E60Low58Low159 Ų159110.6 Ų110.674%0.74360%0.595SS**G310 helixtrans-107.6-3.9-175.3-68.8179.1177.100113.6K196 L197K196-E199 PolarHBondContact O-N 2.67Å; K196-E199 VanDerWaalsContact O-N 3.09Å; L197-E199 VanDerWaalsContact C-N 3.3Å; L197-E199 PolarHBondContact O-N 3.49Å
200L61.1Low59Low53 Ų53109.9 Ų109.928%0.27759%0.586SS.*SBendtrans-79.7126.2178.6-73.1116.7000111.6I195 L197 A204I195-L200 HydrophobicContact CG2-CD1 3.59Å; I195-L200 HydrophobicContact CG2-CG 4.23Å; L197-L200 HydrophobicContact CD1-CD1 4.21Å; L200-A204 HydrophobicContact CB-CB 4.3Å; L200-A204 HydrophobicContact CD2-CB 3.74Å
201S66.3Low59.1Low86 Ų86102.7 Ų102.760%0.60156%0.564SS**  trans-51.6140.5167.1173.50000110.7V203 A204 L205S201-V203 PolarHBondContact O-N 2.9Å; S201-A204 WeakPolarHBondContact O-CA 3.27Å; S201-A204 WeakPolarHBondContact O-CB 3.39Å; S201-A204 PolarHBondContact O-N 3.43Å; S201-L205 PolarHBondContact O-N 3.13Å; S201-L205 VanDerWaalsContact O-N 3.11Å
202G60.2Low59.1Low45 Ų45103.4 Ų103.446%0.46457%0.573SS.*Hα-helixtrans-53.2-29-171.700000114.8L205 I206G202-L205 PolarHBondContact O-N 3.08Å; G202-I206 WeakPolarHBondContact O-CD1 3.27Å; G202-I206 WeakPolarHBondContact O-CG1 3.5Å; G202-I206 PolarHBondContact O-N 3.24Å
203V68.9Low59.1Low98 Ų98100.9 Ų100.959%0.59457%0.567SS**Hα-helixtrans-70.7-35.9175.2-171.20000112.1S201 I206 R207S201-V203 PolarHBondContact O-N 2.9Å; V203-I206 PolarHBondContact O-N 3.37Å; V203-R207 PolarHBondContact O-N 3.24Å
204A66.8Low58.8Low37 Ų37100.8 Ų100.831%0.30658%0.581SS.*Hα-helixtrans-70.9-38.3174.700000111.1L200 S201 R207 H208L200-A204 HydrophobicContact CB-CB 4.3Å; L200-A204 HydrophobicContact CD2-CB 3.74Å; S201-A204 WeakPolarHBondContact O-CA 3.27Å; S201-A204 WeakPolarHBondContact O-CB 3.39Å; S201-A204 PolarHBondContact O-N 3.43Å; A204-R207 PolarHBondContact O-N 2.93Å; A204-H208 WeakPolarHBondContact O-CB 3.34Å; A204-H208 PolarHBondContact O-N 3.41Å
205L64.7Low58.2Low37 Ų3798 Ų9819%0.19457%0.57CS.*Hα-helixtrans-62.3-43.9172.1-16874.7000111.4L197 S201 G202 H208 L209L197-L205 HydrophobicContact CD1-CD1 3.59Å; L197-L205 HydrophobicContact CD2-CD1 4.17Å; L197-L205 HydrophobicContact CG-CD1 3.68Å; S201-L205 PolarHBondContact O-N 3.13Å; S201-L205 VanDerWaalsContact O-N 3.11Å; G202-L205 PolarHBondContact O-N 3.08Å; L205-H208 PolarHBondContact O-N 3.05Å; L205-L209 HydrophobicContact CD1-CD1 4.39Å; L205-L209 HydrophobicContact CD2-CD1 4.21Å; L205-L209 HydrophobicContact CG-CD1 3.82Å; L205-L209 HydrophobicContact CG-CG 4.32Å; L205-L209 WeakPolarHBondContact O-CB 3.4Å; L205-L209 VanDerWaalsContact O-CG 3.26Å; L205-L209 WeakPolarHBondContact O-CG 3.46Å; L205-L209 PolarHBondContact O-N 3.42Å
206I65.5Low57.6Low56 Ų5698 Ų9829%0.28758%0.58SS.*Hα-helixtrans-61.6-49.2176.2-68.9163.3000110.4G202 V203 H208 L209 T210G202-I206 WeakPolarHBondContact O-CD1 3.27Å; G202-I206 WeakPolarHBondContact O-CG1 3.5Å; G202-I206 PolarHBondContact O-N 3.24Å; V203-I206 PolarHBondContact O-N 3.37Å; I206-H208 PolarHBondContact O-N 2.92Å; I206-L209 PolarHBondContact O-N 3.17Å; I206-T210 HydrophobicContact CG2-CG2 4.15Å; I206-T210 WeakPolarHBondContact O-CB 3.45Å; I206-T210 PolarHBondContact O-N 3.24Å; I206-T210 PolarHBondContact O-OG1 3.11Å
207R66.1Low56.9Low183 Ų18397.4 Ų97.469%0.69158%0.584SS**Hα-helixtrans-61-32.2178.4-171.4179.9-85.3122.2-8.1112.6V203 A204 G211V203-R207 PolarHBondContact O-N 3.24Å; A204-R207 PolarHBondContact O-N 2.93Å; R207-G211 PolarHBondContact O-N 3.19Å
208H63.9Low56.5Low136 Ų136100.6 Ų100.663%0.6360%0.602SS**Hα-helixtrans-75.7-37.7177.3-156.367.9000112.7A204 L205 I206A204-H208 WeakPolarHBondContact O-CB 3.34Å; A204-H208 PolarHBondContact O-N 3.41Å; L205-H208 PolarHBondContact O-N 3.05Å; I206-H208 PolarHBondContact O-N 2.92Å
209L61.9Low56.3Low104 Ų104102.9 Ų102.955%0.54560%0.602SS.*Hα-helixtrans-82-33179.3-68175.1000113.3L205 I206 G211L205-L209 HydrophobicContact CD1-CD1 4.39Å; L205-L209 HydrophobicContact CD2-CD1 4.21Å; L205-L209 HydrophobicContact CG-CD1 3.82Å; L205-L209 HydrophobicContact CG-CG 4.32Å; L205-L209 WeakPolarHBondContact O-CB 3.4Å; L205-L209 VanDerWaalsContact O-CG 3.26Å; L205-L209 WeakPolarHBondContact O-CG 3.46Å; L205-L209 PolarHBondContact O-N 3.42Å; I206-L209 PolarHBondContact O-N 3.17Å; L209-G211 VanDerWaalsContact C-N 3.28Å
210T63.5Low56.4Low99 Ų99100.6 Ų100.661%0.60760%0.601SS**THydrogen-bonded Turntrans-100.735.6177.771.40000110.6I206 D212I206-T210 HydrophobicContact CG2-CG2 4.15Å; I206-T210 WeakPolarHBondContact O-CB 3.45Å; I206-T210 PolarHBondContact O-N 3.24Å; I206-T210 PolarHBondContact O-OG1 3.11Å; T210-D212 PolarHBondContact O-N 3.08Å
211G41.4Very low56.1Low44 Ų44104.1 Ų104.145%0.45462%0.619SS.*  trans-38.5100.6-176.900000112.4R207 L209 S213R207-G211 PolarHBondContact O-N 3.19Å; L209-G211 VanDerWaalsContact C-N 3.28Å; G211-S213 PolarHBondContact O-N 3.08Å
212D41.2Very low56.1Low165 Ų165104 Ų10488%0.88261%0.611SS**  trans-69.476.6158.6-165.37.9000105.8T210T210-D212 PolarHBondContact O-N 3.08Å
213S43.1Very low56.6Low98 Ų98107.5 Ų107.569%0.68563%0.626SS**  trans-154.189.3179-68.40000105.9G211 G215G211-S213 PolarHBondContact O-N 3.08Å; S213-G215 PolarHBondContact O-N 3.33Å; S213-G215 VanDerWaalsContact O-N 3.12Å
214S42.2Very low56.8Low130 Ų130110.6 Ų110.691%0.90963%0.634SS**  trans-55.1112.3155.866.30000107.4
215G39Very low57.1Low57 Ų57113.2 Ų113.259%0.58864%0.639SS**  trans152.7113174.900000115.3S213S213-G215 PolarHBondContact O-N 3.33Å; S213-G215 VanDerWaalsContact O-N 3.12Å
216S46.3Very low57.9Low112 Ų112114.8 Ų114.878%0.78365%0.652SS**  trans66.9105.8156.655.80000117.8
217D47.9Very low59Low132 Ų132116.3 Ų116.371%0.70666%0.664SS**  58.8101.274.8-86.2-51.6000113.5
218D52.5Low60.1Low173 Ų173110.6 Ų110.693%0.92564%0.643SS**  trans-162.644.7139.4-138.42.3000112.9
219M59.4Low61.4Low157 Ų157104.3 Ų104.377%0.77361%0.614SS**SBendtrans-119.4126.7155.6-16777.4-173.500105.2I221M219-I221 PolarHBondContact O-N 3.19Å
220P62.2Low62.7Low110 Ų110103.5 Ų103.571%0.71461%0.613SS**  trans-56.9119.3178.723.2-32.4000108.6D222P220-D222 PolarHBondContact O-N 2.95Å; P220-D222 VanDerWaalsContact O-N 3.12Å
221I55.1Low64.1Low127 Ų127101.1 Ų101.165%0.65160%0.6SS**  trans-52119.3169.2-65166.8000106.2M219 P223M219-I221 PolarHBondContact O-N 3.19Å; I221-P223 WeakPolarHBondContact O-CD 3.4Å
222D66.5Low66.2Low84 Ų84108.5 Ų108.545%0.44961%0.614SS.*  trans-57.7114.2179.1-177.6-4.4000108.3P220 H224 E225P220-D222 PolarHBondContact O-N 2.95Å; P220-D222 VanDerWaalsContact O-N 3.12Å; D222-H224 PolarHBondContact O-N 2.94Å; D222-H224 WeakPolarHBondContact OD1-CB 3.45Å; D222-H224 IonicContact OD1-CD2 3.52Å; D222-H224 IonicContact OD1-CG 3.78Å; D222-H224 PolarHBondContact OD1-N 3.31Å; D222-E225 HydrophobicContact CB-CB 4.44Å; D222-E225 PolarHBondContact O-N 3.44Å; D222-E225 VanDerWaalsContact O-N 3.13Å
223P69.6Low68.4Low118 Ų118104.9 Ų104.977%0.76659%0.592SS**THydrogen-bonded Turntrans-61.8-9.9179.9-20.733.3000113.5I221I221-P223 WeakPolarHBondContact O-CD 3.4Å
224H73.1Confident70.5Confident164 Ų164102.5 Ų102.576%0.75957%0.573SS**THydrogen-bonded Turntrans-100.40.2-179.7-59.9-61.4000114.4D222D222-H224 PolarHBondContact O-N 2.94Å; D222-H224 WeakPolarHBondContact OD1-CB 3.45Å; D222-H224 IonicContact OD1-CD2 3.52Å; D222-H224 IonicContact OD1-CG 3.78Å; D222-H224 PolarHBondContact OD1-N 3.31Å
225E75Confident72.7Confident91 Ų9199.3 Ų99.343%0.42555%0.551SS.*SBendtrans-78126.1179.8-160.5170.3-172.900111.3D222 V227 V234D222-E225 HydrophobicContact CB-CB 4.44Å; D222-E225 PolarHBondContact O-N 3.44Å; D222-E225 VanDerWaalsContact O-N 3.13Å; E225-V227 PolarHBondContact O-N 3.01Å; E225-V234 HydrophobicContact CB-CG1 4.1Å; E225-V234 HydrophobicContact CG-CB 4.3Å; E225-V234 HydrophobicContact CG-CG1 3.75Å; E225-V234 WeakPolarHBondContact OE2-CG1 3.46Å
226P81Confident74.9Confident70 Ų70101.3 Ų101.346%0.45554%0.541SS..PPolyproline II helixtrans-66.9132.6-178.725.7-33000111.3Y228P226-Y228 HydrophobicContact CB-CE1 4.46Å; P226-Y228 HydrophobicContact CB-CE2 3.99Å; P226-Y228 HydrophobicContact CG-CE2 3.83Å; P226-Y228 VanDerWaalsContact CG-OH 3.24Å; P226-Y228 WeakPolarHBondContact CG-OH 3.2Å; P226-Y228 WeakPolarHBondContact O-CD2 3.43Å; P226-Y228 VanDerWaalsContact O-CE2 3.29Å; P226-Y228 WeakPolarHBondContact O-CE2 3.43Å
227V88.3Confident77Confident89 Ų8999.6 Ų99.654%0.53954%0.542SS..PPolyproline II helixtrans-91.8139.9174.9-66.70000110.9E225 R232E225-V227 PolarHBondContact O-N 3.01Å; V227-R232 HydrophobicContact CB-CB 4.46Å; V227-R232 WeakPolarHBondContact CG1-O 3.27Å
228Y89.1Confident79Confident63 Ų6398.7 Ų98.725%0.24754%0.535CS..BIsolated β-bridgetrans-127.2174.7-177-58.3-76000111.1P226 R232 E233 M239 W251P226-Y228 HydrophobicContact CB-CE1 4.46Å; P226-Y228 HydrophobicContact CB-CE2 3.99Å; P226-Y228 HydrophobicContact CG-CE2 3.83Å; P226-Y228 VanDerWaalsContact CG-OH 3.24Å; P226-Y228 WeakPolarHBondContact CG-OH 3.2Å; P226-Y228 WeakPolarHBondContact O-CD2 3.43Å; P226-Y228 VanDerWaalsContact O-CE2 3.29Å; P226-Y228 WeakPolarHBondContact O-CE2 3.43Å; Y228-R232 VanDerWaalsContact O-CA 3.31Å; Y228-R232 WeakPolarHBondContact O-CA 3.31Å; Y228-R232 PolarHBondContact O-N 3.16Å; Y228-E233 PolarHBondContact N-O 3.42Å; Y228-E233 PolarHBondContact O-N 3.37Å; Y228-M239 HydrophobicContact CD2-CE 4.14Å; Y228-M239 HydrophobicContact CG-CE 3.94Å; Y228-W251 HydrophobicContact CD1-CB 3.69Å; Y228-W251 HydrophobicContact CD1-CG 4.15Å; Y228-W251 HydrophobicContact CE1-CB 4.37Å; Y228-W251 AromaticContact CE1-CD1 3.91Å; Y228-W251 HydrophobicContact CE1-CG 4.36Å; Y228-W251 HydrophobicContact CG-CB 4.09Å
229C91.8Very high80.9Confident3 Ų392.4 Ų92.42%0.0250%0.5CS..THydrogen-bonded Turntrans60.6176.3178.2-159.40000114.6C231 R232 W251 Y252 H253 C256C229-C231 PolarHBondContact O-N 3.17Å; C229-R232 PolarHBondContact O-N 2.91Å; C229-W251 VanDerWaalsContact CA-O 3.25Å; C229-W251 WeakPolarHBondContact CA-O 3.44Å; C229-W251 PolarHBondContact N-O 2.63Å; C229-Y252 HydrophobicContact CB-CD1 4.5Å; C229-H253 WeakPolarHBondContact CB-ND1 3.33Å; C229-H253 PolarHBondContact SG-N 3.4Å; C229-C256 WeakPolarHBondContact SG-CB 3.41Å
230T89Confident82.6Confident88 Ų8885.9 Ų85.954%0.5447%0.468SS..THydrogen-bonded Turntrans-69.2-19.9173480000112.8R232 I249 Y252T230-R232 VanDerWaalsContact C-N 3.33Å; T230-I249 HydrophobicContact CG2-CD1 4.38Å; T230-Y252 HydrophobicContact CG2-CD1 4.43Å; T230-Y252 HydrophobicContact CG2-CE1 3.98Å
231C91.6Very high84Confident48 Ų4882.7 Ų82.732%0.32445%0.448SS..THydrogen-bonded Turntrans-78.3-14.4174.461.30000113.6C229 E233 H253C229-C231 PolarHBondContact O-N 3.17Å; C231-E233 VanDerWaalsContact C-N 3.26Å; C231-E233 HydrophobicContact CB-CG 4.11Å; C231-E233 PolarHBondContact O-N 3.46Å; C231-E233 PolarHBondContact SG-OE2 3Å; C231-H253 VanDerWaalsContact SG-CE1 3.54Å; C231-H253 PolarHBondContact SG-ND1 2.74Å
232R87.4Confident85.9Confident199 Ų19977 Ų7775%0.75142%0.419SS*.THydrogen-bonded Turntrans5541.7-175.1-58.5-174177.8163.9-0.7113V227 Y228 C229 T230V227-R232 HydrophobicContact CB-CB 4.46Å; V227-R232 WeakPolarHBondContact CG1-O 3.27Å; Y228-R232 VanDerWaalsContact O-CA 3.31Å; Y228-R232 WeakPolarHBondContact O-CA 3.31Å; Y228-R232 PolarHBondContact O-N 3.16Å; C229-R232 PolarHBondContact O-N 2.91Å; T230-R232 VanDerWaalsContact C-N 3.33Å
233E86Confident87.1Confident90 Ų9077.1 Ų77.142%0.42142%0.42SS..BIsolated β-bridgetrans-105.9161.2174.6-65.3175.4154.100109.6Y228 C231 Y236Y228-E233 PolarHBondContact N-O 3.42Å; Y228-E233 PolarHBondContact O-N 3.37Å; C231-E233 VanDerWaalsContact C-N 3.26Å; C231-E233 HydrophobicContact CB-CG 4.11Å; C231-E233 PolarHBondContact O-N 3.46Å; C231-E233 PolarHBondContact SG-OE2 3Å; E233-Y236 HydrophobicContact CB-CD1 4.48Å; E233-Y236 HydrophobicContact CB-CE1 3.8Å; E233-Y236 WeakPolarHBondContact OE2-CE1 3.3Å; E233-Y236 VanDerWaalsContact OE2-CZ 3.28Å; E233-Y236 PolarHBondContact OE2-OH 3.43Å
234V88.2Confident88Confident47 Ų4773 Ų7329%0.28539%0.394SS..  trans-61166.7175.4-61.40000111.5E225 Y236 H253E225-V234 HydrophobicContact CB-CG1 4.1Å; E225-V234 HydrophobicContact CG-CB 4.3Å; E225-V234 HydrophobicContact CG-CG1 3.75Å; E225-V234 WeakPolarHBondContact OE2-CG1 3.46Å; V234-Y236 WeakPolarHBondContact O-CD1 3.46Å; V234-Y236 PolarHBondContact O-N 2.85Å; V234-H253 PolarHBondContact O-NE2 3.46Å
235S86.9Confident88.6Confident63 Ų6370.9 Ų70.944%0.44139%0.394SS..  trans-64.6122.8176.959.70000110.9M239S235-M239 WeakPolarHBondContact CA-SD 3.47Å; S235-M239 WeakPolarHBondContact CB-SD 3.41Å
236Y87.3Confident89.3Confident99 Ų9973.3 Ų73.339%0.38841%0.41SS..  trans-145.1156171.863.9-98.5000112.1E233 V234 H253E233-Y236 HydrophobicContact CB-CD1 4.48Å; E233-Y236 HydrophobicContact CB-CE1 3.8Å; E233-Y236 WeakPolarHBondContact OE2-CE1 3.3Å; E233-Y236 VanDerWaalsContact OE2-CZ 3.28Å; E233-Y236 PolarHBondContact OE2-OH 3.43Å; V234-Y236 WeakPolarHBondContact O-CD1 3.46Å; V234-Y236 PolarHBondContact O-N 2.85Å; Y236-H253 AromaticContact CD1-CD2 3.61Å; Y236-H253 AromaticContact CD1-NE2 3.18Å; Y236-H253 WeakPolarHBondContact CD1-NE2 3.42Å; Y236-H253 AromaticContact CD2-CD2 3.71Å; Y236-H253 AromaticContact CE1-CD2 3.5Å; Y236-H253 VanDerWaalsContact CE1-CD2 3.5Å; Y236-H253 WeakPolarHBondContact CE1-CD2 3.47Å; Y236-H253 AromaticContact CE1-CE1 3.59Å; Y236-H253 AromaticContact CE1-NE2 3.11Å; Y236-H253 WeakPolarHBondContact CE1-NE2 3.47Å; Y236-H253 HydrophobicContact CE2-CB 4.49Å; Y236-H253 AromaticContact CE2-CD2 3.6Å; Y236-H253 AromaticContact CG-CD2 3.7Å; Y236-H253 AromaticContact CG-NE2 3.73Å; Y236-H253 AromaticContact CZ-CD2 3.5Å; Y236-H253 AromaticContact CZ-CG 3.87Å; Y236-H253 AromaticContact CZ-NE2 3.62Å; Y236-H253 PolarHBondContact O-CD2 3.14Å; Y236-H253 VanDerWaalsContact O-CD2 3.26Å
237G88.6Confident89.7Confident77 Ų7770.2 Ų70.279%0.79439%0.39SS*.SBendtrans58.6-142.5175.800000113.7
238M90.4Very high89.6Confident113 Ų11370.8 Ų70.856%0.55740%0.396SS*.SBendtrans-89.2129.1176.2-62.1-17178.700109.9F254M238-F254 HydrophobicContact CB-CB 4.08Å; M238-F254 HydrophobicContact CB-CD1 3.72Å; M238-F254 HydrophobicContact CB-CD2 3.68Å; M238-F254 HydrophobicContact CB-CE1 3.95Å; M238-F254 HydrophobicContact CB-CE2 3.91Å; M238-F254 HydrophobicContact CB-CG 3.57Å; M238-F254 HydrophobicContact CB-CZ 4.05Å; M238-F254 HydrophobicContact CE-CD2 4.37Å; M238-F254 HydrophobicContact CE-CE2 3.6Å; M238-F254 HydrophobicContact CE-CZ 3.85Å; M238-F254 HydrophobicContact CG-CD2 4.45Å; M238-F254 WeakPolarHBondContact O-CB 3.36Å; M238-F254 VanDerWaalsContact O-CD1 3.29Å; M238-F254 WeakPolarHBondContact O-CD1 3.48Å; M238-F254 PolarHBondContact O-N 2.94Å; M238-F254 HydrophobicContact SD-CD2 4.02Å; M238-F254 HydrophobicContact SD-CE2 3.84Å
239M93.3Very high89.6Confident41 Ų4169.9 Ų69.920%0.20240%0.395CS..EExtended strand (participates in β ladder)trans-124.1150.9177.7-59.9-179.280.400111Y228 S235 W251 Y252Y228-M239 HydrophobicContact CD2-CE 4.14Å; Y228-M239 HydrophobicContact CG-CE 3.94Å; S235-M239 WeakPolarHBondContact CA-SD 3.47Å; S235-M239 WeakPolarHBondContact CB-SD 3.41Å; M239-W251 HydrophobicContact CB-CE3 4.05Å; M239-W251 HydrophobicContact CE-CB 3.77Å; M239-Y252 CarbonylContact C-O 3.47Å; M239-Y252 WeakPolarHBondContact CA-O 3.39Å
240I93.6Very high89.6Confident19 Ų1974.7 Ų74.710%0.09742%0.417CS..EExtended strand (participates in β ladder)trans-121.2139.4176.1-170.1160000109.8W251 Y252 F254 V257 L259 P263 W267I240-W251 WeakPolarHBondContact O-CA 3.45Å; I240-Y252 PolarHBondContact N-O 3.46Å; I240-Y252 PolarHBondContact O-N 3.1Å; I240-F254 HydrophobicContact CB-CD1 4.3Å; I240-F254 HydrophobicContact CB-CE1 3.87Å; I240-V257 HydrophobicContact CG2-CG2 4.13Å; I240-L259 HydrophobicContact CB-CD1 4.35Å; I240-L259 HydrophobicContact CD1-CD1 3.62Å; I240-L259 HydrophobicContact CG2-CD1 3.88Å; I240-P263 VanDerWaalsContact CD1-CD 3.45Å; I240-P263 HydrophobicContact CD1-CG 3.48Å; I240-P263 VanDerWaalsContact CD1-CG 3.48Å; I240-W267 HydrophobicContact CB-CE3 4.35Å; I240-W267 HydrophobicContact CD1-CB 3.58Å; I240-W267 HydrophobicContact CD1-CD2 3.6Å; I240-W267 HydrophobicContact CD1-CE3 3.92Å; I240-W267 HydrophobicContact CD1-CG 3.44Å; I240-W267 VanDerWaalsContact CD1-CG 3.44Å; I240-W267 HydrophobicContact CG1-CB 4.31Å; I240-W267 HydrophobicContact CG1-CD2 3.99Å; I240-W267 HydrophobicContact CG1-CE3 3.74Å; I240-W267 HydrophobicContact CG1-CG 4.24Å; I240-W267 HydrophobicContact CG1-CZ3 4.4Å; I240-W267 HydrophobicContact CG2-CD2 4.1Å; I240-W267 HydrophobicContact CG2-CE3 3.75Å; I240-W267 HydrophobicContact CG2-CH2 3.81Å; I240-W267 HydrophobicContact CG2-CZ2 4.15Å; I240-W267 HydrophobicContact CG2-CZ3 3.6Å
241C92.7Very high89.8Confident44 Ų4475.3 Ų75.330%0.29741%0.409SS..EExtended strand (participates in β ladder)trans-90.6139.3172.5-168.70000109.8E250 W251C241-E250 CarbonylContact C-O 3.45Å; C241-E250 VanDerWaalsContact CA-O 3.24Å; C241-E250 WeakPolarHBondContact CA-O 3.34Å; C241-W251 HydrophobicContact CB-CD2 4.14Å; C241-W251 HydrophobicContact CB-CE3 4.01Å; C241-W251 HydrophobicContact CB-CH2 3.91Å; C241-W251 HydrophobicContact CB-CZ2 4.02Å; C241-W251 HydrophobicContact CB-CZ3 3.9Å
242C93.7Very high90Very high6 Ų673.3 Ų73.34%0.04140%0.395CS..  trans-80.1122.1173.6-179.70000109.9C244 C247 E250 Y252 W267 C269C242-C244 PolarHBondContact O-N 3.29Å; C242-C247 HydrophobicContact CB-CB 4.04Å; C242-C247 VanDerWaalsContact SG-SG 3.66Å; C242-E250 PolarHBondContact N-O 3.47Å; C242-Y252 HydrophobicContact CB-CE2 4.08Å; C242-W267 HydrophobicContact CB-CE3 4.38Å; C242-W267 HydrophobicContact CB-CZ3 4.03Å; C242-C269 HydrophobicContact CB-CB 4.36Å; C242-C269 PolarHBondContact SG-N 3.17Å
243D92.8Very high90.3Very high88 Ų8863.8 Ų63.847%0.47136%0.359SS..  trans-75.110.7-177.4-67.6-59.3000114.4A266 W267 F268D243-A266 HydrophobicContact CB-CB 4.16Å; D243-A266 WeakPolarHBondContact OD2-CA 3.37Å; D243-W267 PolarHBondContact N-O 2.78Å; D243-W267 PolarHBondContact OD2-N 3.16Å; D243-F268 HydrophobicContact CB-CD1 4.46Å; D243-F268 HydrophobicContact CB-CE1 3.95Å; D243-F268 HydrophobicContact CB-CZ 4.21Å
244C89.1Confident90.6Very high32 Ų3260.2 Ų60.222%0.21634%0.342CS..  trans-85.9123.7174.5-173.80000108.9C242 D246 C247 F268 C272C242-C244 PolarHBondContact O-N 3.29Å; C244-D246 PolarHBondContact O-N 3.47Å; C244-D246 VanDerWaalsContact O-N 3.13Å; C244-C247 HydrophobicContact CB-CB 4.33Å; C244-C247 WeakPolarHBondContact O-CB 3.39Å; C244-C247 PolarHBondContact O-N 3.06Å; C244-F268 HydrophobicContact CB-CD1 4.03Å; C244-F268 HydrophobicContact CB-CE1 4.37Å; C244-C272 HydrophobicContact CB-CB 3.66Å; C244-C272 WeakPolarHBondContact CB-SG 3.26Å; C244-C272 VanDerWaalsContact SG-SG 3.69Å
245P86Confident90.8Very high118 Ų11862.5 Ų62.577%0.76636%0.358SS*.THydrogen-bonded Turntrans-62-23.9-17524.2-34.3000113.7
246D87.7Confident91Very high142 Ų14262 Ų6276%0.75935%0.354SS*.THydrogen-bonded Turntrans-108.130.3-178.6-58.6-47.3000112.5C244C244-D246 PolarHBondContact O-N 3.47Å; C244-D246 VanDerWaalsContact O-N 3.13Å
247C90Very high91.2Very high6 Ų659 Ų594%0.04135%0.346CS..  trans-77.8124178.4-171.30000111.2C242 C244 I249 E250C242-C247 HydrophobicContact CB-CB 4.04Å; C242-C247 VanDerWaalsContact SG-SG 3.66Å; C244-C247 HydrophobicContact CB-CB 4.33Å; C244-C247 WeakPolarHBondContact O-CB 3.39Å; C244-C247 PolarHBondContact O-N 3.06Å; C247-I249 VanDerWaalsContact C-N 3.33Å; C247-I249 PolarHBondContact O-N 3.49Å; C247-E250 WeakPolarHBondContact O-CG 3.49Å
248P87.4Confident91.3Very high100 Ų10058.5 Ų58.565%0.64934%0.341SS*.SBendtrans-72.5-20.7-174.927.1-35.1000114.9
249I88.5Confident91.3Very high45 Ų4554.8 Ų54.823%0.23132%0.323CS..SBendtrans-106.8-31-175.6-63172.9000111.2T230 C247 W251 Y252T230-I249 HydrophobicContact CG2-CD1 4.38Å; C247-I249 VanDerWaalsContact C-N 3.33Å; C247-I249 PolarHBondContact O-N 3.49Å; I249-W251 VanDerWaalsContact CG2-O 3.28Å; I249-W251 WeakPolarHBondContact CG2-O 3.31Å; I249-W251 PolarHBondContact O-N 2.98Å; I249-Y252 HydrophobicContact CB-CE1 4.4Å; I249-Y252 HydrophobicContact CB-CE2 4.14Å; I249-Y252 WeakPolarHBondContact CB-OH 3.48Å; I249-Y252 HydrophobicContact CD1-CE1 4.1Å; I249-Y252 HydrophobicContact CG2-CE1 4.13Å; I249-Y252 HydrophobicContact CG2-CE2 4.07Å
250E91.2Very high91Very high104 Ų10461.3 Ų61.349%0.48635%0.353SS..  trans60.8-52.5-175.3-56.2-177.7167.500114.6C241 C242 C247C241-E250 CarbonylContact C-O 3.45Å; C241-E250 VanDerWaalsContact CA-O 3.24Å; C241-E250 WeakPolarHBondContact CA-O 3.34Å; C242-E250 PolarHBondContact N-O 3.47Å; C247-E250 WeakPolarHBondContact O-CG 3.49Å
251W94.1Very high90.7Very high101 Ų10168.5 Ų68.538%0.38338%0.384SS..EExtended strand (participates in β ladder)trans-111.7137.4-170.8-67.592.5000114.1Y228 C229 M239 I240 C241 I249Y228-W251 HydrophobicContact CD1-CB 3.69Å; Y228-W251 HydrophobicContact CD1-CG 4.15Å; Y228-W251 HydrophobicContact CE1-CB 4.37Å; Y228-W251 AromaticContact CE1-CD1 3.91Å; Y228-W251 HydrophobicContact CE1-CG 4.36Å; Y228-W251 HydrophobicContact CG-CB 4.09Å; C229-W251 VanDerWaalsContact CA-O 3.25Å; C229-W251 WeakPolarHBondContact CA-O 3.44Å; C229-W251 PolarHBondContact N-O 2.63Å; M239-W251 HydrophobicContact CB-CE3 4.05Å; M239-W251 HydrophobicContact CE-CB 3.77Å; I240-W251 WeakPolarHBondContact O-CA 3.45Å; C241-W251 HydrophobicContact CB-CD2 4.14Å; C241-W251 HydrophobicContact CB-CE3 4.01Å; C241-W251 HydrophobicContact CB-CH2 3.91Å; C241-W251 HydrophobicContact CB-CZ2 4.02Å; C241-W251 HydrophobicContact CB-CZ3 3.9Å; I249-W251 VanDerWaalsContact CG2-O 3.28Å; I249-W251 WeakPolarHBondContact CG2-O 3.31Å; I249-W251 PolarHBondContact O-N 2.98Å
252Y94.6Very high90.6Very high5 Ų569.8 Ų69.82%0.0240%0.397CS..EExtended strand (participates in β ladder)trans-136.7138.5-177.2-62.4-102.3000111.7C229 T230 M239 I240 C242 I249 V257 W267 C269C229-Y252 HydrophobicContact CB-CD1 4.5Å; T230-Y252 HydrophobicContact CG2-CD1 4.43Å; T230-Y252 HydrophobicContact CG2-CE1 3.98Å; M239-Y252 CarbonylContact C-O 3.47Å; M239-Y252 WeakPolarHBondContact CA-O 3.39Å; I240-Y252 PolarHBondContact N-O 3.46Å; I240-Y252 PolarHBondContact O-N 3.1Å; C242-Y252 HydrophobicContact CB-CE2 4.08Å; I249-Y252 HydrophobicContact CB-CE1 4.4Å; I249-Y252 HydrophobicContact CB-CE2 4.14Å; I249-Y252 WeakPolarHBondContact CB-OH 3.48Å; I249-Y252 HydrophobicContact CD1-CE1 4.1Å; I249-Y252 HydrophobicContact CG2-CE1 4.13Å; I249-Y252 HydrophobicContact CG2-CE2 4.07Å; Y252-V257 HydrophobicContact CD1-CG1 3.83Å; Y252-V257 HydrophobicContact CG-CG1 3.99Å; Y252-W267 AromaticContact CD2-CH2 3.84Å; Y252-W267 HydrophobicContact CD2-CH2 3.84Å; Y252-W267 AromaticContact CD2-CZ3 3.77Å; Y252-W267 HydrophobicContact CD2-CZ3 3.77Å; Y252-W267 HydrophobicContact CE2-CH2 4.45Å; Y252-W267 HydrophobicContact CE2-CZ3 4.33Å; Y252-W267 AromaticContact CG-CH2 3.92Å; Y252-W267 HydrophobicContact CG-CH2 3.92Å; Y252-W267 HydrophobicContact CG-CZ3 4.29Å; Y252-C269 HydrophobicContact CD2-CB 4.31Å; Y252-C269 HydrophobicContact CE1-CB 3.96Å; Y252-C269 HydrophobicContact CE2-CB 3.64Å; Y252-C269 VanDerWaalsContact CZ-CB 3.43Å; Y252-C269 WeakPolarHBondContact OH-CB 3.39Å; Y252-C269 PolarHBondContact OH-SG 3.43Å
253H93.8Very high90.3Very high0 Ų072 Ų720%041%0.411CS..EExtended strand (participates in β ladder)trans-69.7135.3171.9-48.688.9000110.3C229 C231 V234 Y236 P255 C256 V257C229-H253 WeakPolarHBondContact CB-ND1 3.33Å; C229-H253 PolarHBondContact SG-N 3.4Å; C231-H253 VanDerWaalsContact SG-CE1 3.54Å; C231-H253 PolarHBondContact SG-ND1 2.74Å; V234-H253 PolarHBondContact O-NE2 3.46Å; Y236-H253 AromaticContact CD1-CD2 3.61Å; Y236-H253 AromaticContact CD1-NE2 3.18Å; Y236-H253 WeakPolarHBondContact CD1-NE2 3.42Å; Y236-H253 AromaticContact CD2-CD2 3.71Å; Y236-H253 AromaticContact CE1-CD2 3.5Å; Y236-H253 VanDerWaalsContact CE1-CD2 3.5Å; Y236-H253 WeakPolarHBondContact CE1-CD2 3.47Å; Y236-H253 AromaticContact CE1-CE1 3.59Å; Y236-H253 AromaticContact CE1-NE2 3.11Å; Y236-H253 WeakPolarHBondContact CE1-NE2 3.47Å; Y236-H253 HydrophobicContact CE2-CB 4.49Å; Y236-H253 AromaticContact CE2-CD2 3.6Å; Y236-H253 AromaticContact CG-CD2 3.7Å; Y236-H253 AromaticContact CG-NE2 3.73Å; Y236-H253 AromaticContact CZ-CD2 3.5Å; Y236-H253 AromaticContact CZ-CG 3.87Å; Y236-H253 AromaticContact CZ-NE2 3.62Å; Y236-H253 PolarHBondContact O-CD2 3.14Å; Y236-H253 VanDerWaalsContact O-CD2 3.26Å; H253-P255 HydrophobicContact CB-CG 4.19Å; H253-C256 HydrophobicContact CB-CB 4.19Å; H253-C256 WeakPolarHBondContact O-CB 3.46Å; H253-C256 PolarHBondContact O-N 3.42Å; H253-V257 WeakPolarHBondContact O-CG2 3.33Å; H253-V257 PolarHBondContact O-N 2.99Å
254F93.2Very high90Very high14 Ų1478.1 Ų78.16%0.06143%0.434CS..THydrogen-bonded Turntrans-44.2-52.7174.1-90.641.9000113.9M238 I240 C256 V257 G258 L259 A262M238-F254 HydrophobicContact CB-CB 4.08Å; M238-F254 HydrophobicContact CB-CD1 3.72Å; M238-F254 HydrophobicContact CB-CD2 3.68Å; M238-F254 HydrophobicContact CB-CE1 3.95Å; M238-F254 HydrophobicContact CB-CE2 3.91Å; M238-F254 HydrophobicContact CB-CG 3.57Å; M238-F254 HydrophobicContact CB-CZ 4.05Å; M238-F254 HydrophobicContact CE-CD2 4.37Å; M238-F254 HydrophobicContact CE-CE2 3.6Å; M238-F254 HydrophobicContact CE-CZ 3.85Å; M238-F254 HydrophobicContact CG-CD2 4.45Å; M238-F254 WeakPolarHBondContact O-CB 3.36Å; M238-F254 VanDerWaalsContact O-CD1 3.29Å; M238-F254 WeakPolarHBondContact O-CD1 3.48Å; M238-F254 PolarHBondContact O-N 2.94Å; M238-F254 HydrophobicContact SD-CD2 4.02Å; M238-F254 HydrophobicContact SD-CE2 3.84Å; I240-F254 HydrophobicContact CB-CD1 4.3Å; I240-F254 HydrophobicContact CB-CE1 3.87Å; F254-C256 VanDerWaalsContact C-N 3.32Å; F254-C256 PolarHBondContact O-N 2.92Å; F254-V257 CarbonylContact O-C 3.57Å; F254-V257 WeakPolarHBondContact O-CG2 3.4Å; F254-V257 PolarHBondContact O-N 3.41Å; F254-G258 PolarHBondContact O-N 2.9Å; F254-L259 CarbonylContact C-O 3.41Å; F254-L259 HydrophobicContact CB-CB 4.29Å; F254-L259 VanDerWaalsContact CB-O 3.27Å; F254-L259 WeakPolarHBondContact CB-O 3.36Å; F254-L259 HydrophobicContact CD1-CB 4.49Å; F254-L259 HydrophobicContact CD2-CB 4.07Å; F254-L259 HydrophobicContact CG-CB 4.01Å; F254-L259 PolarHBondContact O-N 3.38Å; F254-A262 HydrophobicContact CZ-CB 4.17Å
255P92.3Very high90Very high95 Ų9579.7 Ų79.762%0.61746%0.456SS*.G310 helixtrans-63.3-35.3178.923.7-34.6000113.4H253 V257 G258H253-P255 HydrophobicContact CB-CG 4.19Å; P255-V257 VanDerWaalsContact C-N 3.26Å; P255-V257 PolarHBondContact O-N 2.92Å; P255-G258 PolarHBondContact O-N 2.8Å
256C90Very high90.1Very high52 Ų5277.3 Ų77.335%0.35145%0.446SS..G310 helixtrans-67.9-26.4179.7-64.10000112.9C229 H253 F254C229-C256 WeakPolarHBondContact SG-CB 3.41Å; H253-C256 HydrophobicContact CB-CB 4.19Å; H253-C256 WeakPolarHBondContact O-CB 3.46Å; H253-C256 PolarHBondContact O-N 3.42Å; F254-C256 VanDerWaalsContact C-N 3.32Å; F254-C256 PolarHBondContact O-N 2.92Å
257V91.3Very high90.4Very high36 Ų3672.4 Ų72.422%0.21842%0.417CS..G310 helixtrans-105.35.8176.4-620000113.6I240 Y252 H253 F254 P255 L259 W267I240-V257 HydrophobicContact CG2-CG2 4.13Å; Y252-V257 HydrophobicContact CD1-CG1 3.83Å; Y252-V257 HydrophobicContact CG-CG1 3.99Å; H253-V257 WeakPolarHBondContact O-CG2 3.33Å; H253-V257 PolarHBondContact O-N 2.99Å; F254-V257 CarbonylContact O-C 3.57Å; F254-V257 WeakPolarHBondContact O-CG2 3.4Å; F254-V257 PolarHBondContact O-N 3.41Å; P255-V257 VanDerWaalsContact C-N 3.26Å; P255-V257 PolarHBondContact O-N 2.92Å; V257-L259 HydrophobicContact CG2-CB 4.2Å; V257-L259 HydrophobicContact CG2-CD1 3.65Å; V257-L259 HydrophobicContact CG2-CG 3.77Å; V257-W267 HydrophobicContact CB-CH2 4.32Å; V257-W267 HydrophobicContact CB-CZ2 3.83Å; V257-W267 HydrophobicContact CG1-CH2 3.84Å; V257-W267 HydrophobicContact CG1-CZ2 3.83Å; V257-W267 HydrophobicContact CG2-CH2 4.38Å; V257-W267 HydrophobicContact CG2-CZ2 3.93Å
258G91.2Very high90.5Very high67 Ų6775.3 Ų75.369%0.69143%0.429SS*.THydrogen-bonded Turntrans70.725.1178.800000114.8F254 P255F254-G258 PolarHBondContact O-N 2.9Å; P255-G258 PolarHBondContact O-N 2.8Å
259L89.8Confident90.7Very high36 Ų3670.6 Ų70.619%0.18840%0.398CS..  trans-93.9133.2174.4-67.2173.8000110.6I240 F254 V257 P263I240-L259 HydrophobicContact CB-CD1 4.35Å; I240-L259 HydrophobicContact CD1-CD1 3.62Å; I240-L259 HydrophobicContact CG2-CD1 3.88Å; F254-L259 CarbonylContact C-O 3.41Å; F254-L259 HydrophobicContact CB-CB 4.29Å; F254-L259 VanDerWaalsContact CB-O 3.27Å; F254-L259 WeakPolarHBondContact CB-O 3.36Å; F254-L259 HydrophobicContact CD1-CB 4.49Å; F254-L259 HydrophobicContact CD2-CB 4.07Å; F254-L259 HydrophobicContact CG-CB 4.01Å; F254-L259 PolarHBondContact O-N 3.38Å; V257-L259 HydrophobicContact CG2-CB 4.2Å; V257-L259 HydrophobicContact CG2-CD1 3.65Å; V257-L259 HydrophobicContact CG2-CG 3.77Å; L259-P263 HydrophobicContact CD1-CG 4.47Å
260E88Confident90.7Very high178 Ų17876 Ų7683%0.83242%0.423SS*.SBendtrans-100.4-24169-66.8-174.3172.200112.3
261K88.2Confident90.6Very high170 Ų17075.9 Ų75.974%0.73942%0.422SS*.SBendtrans-142.2151.4-177.7-66.8-178.5-177172.90109.3
262A89.4Confident90.5Very high70 Ų7071.3 Ų71.358%0.57941%0.406SS*.PPolyproline II helixtrans-57.2123.5175.400000109.8F254F254-A262 HydrophobicContact CZ-CB 4.17Å
263P88.4Confident90.1Very high52 Ų5273.2 Ų73.234%0.33842%0.422SS..PPolyproline II helixtrans-64.4155.6174.928.3-33.1000109.9I240 L259 W267I240-P263 VanDerWaalsContact CD1-CD 3.45Å; I240-P263 HydrophobicContact CD1-CG 3.48Å; I240-P263 VanDerWaalsContact CD1-CG 3.48Å; L259-P263 HydrophobicContact CD1-CG 4.47Å; P263-W267 HydrophobicContact CG-CB 3.87Å; P263-W267 HydrophobicContact CG-CG 4.06Å
264K85.7Confident89.8Confident217 Ų21777.3 Ų77.394%0.94346%0.456SS*.SBendtrans-89.8122.7173.8-67.4-175.6179.7-177.60108.9
265G88.5Confident89Confident66 Ų6684.9 Ų84.968%0.6849%0.489SS*.SBendtrans97-165.2-179.600000112.6
266A88.8Confident87.6Confident68 Ų6888.5 Ų88.556%0.56250%0.5SS*.  trans-70.7137.3-178.600000111.5D243 F268D243-A266 HydrophobicContact CB-CB 4.16Å; D243-A266 WeakPolarHBondContact OD2-CA 3.37Å; A266-F268 HydrophobicContact CB-CE2 3.83Å; A266-F268 HydrophobicContact CB-CZ 4Å
267W93.5Very high87.5Confident38 Ų3890.4 Ų90.414%0.14451%0.507CS..  trans-120.1136.3176.4-179.685.8000111I240 C242 D243 Y252 V257 P263 C269I240-W267 HydrophobicContact CB-CE3 4.35Å; I240-W267 HydrophobicContact CD1-CB 3.58Å; I240-W267 HydrophobicContact CD1-CD2 3.6Å; I240-W267 HydrophobicContact CD1-CE3 3.92Å; I240-W267 HydrophobicContact CD1-CG 3.44Å; I240-W267 VanDerWaalsContact CD1-CG 3.44Å; I240-W267 HydrophobicContact CG1-CB 4.31Å; I240-W267 HydrophobicContact CG1-CD2 3.99Å; I240-W267 HydrophobicContact CG1-CE3 3.74Å; I240-W267 HydrophobicContact CG1-CG 4.24Å; I240-W267 HydrophobicContact CG1-CZ3 4.4Å; I240-W267 HydrophobicContact CG2-CD2 4.1Å; I240-W267 HydrophobicContact CG2-CE3 3.75Å; I240-W267 HydrophobicContact CG2-CH2 3.81Å; I240-W267 HydrophobicContact CG2-CZ2 4.15Å; I240-W267 HydrophobicContact CG2-CZ3 3.6Å; C242-W267 HydrophobicContact CB-CE3 4.38Å; C242-W267 HydrophobicContact CB-CZ3 4.03Å; D243-W267 PolarHBondContact N-O 2.78Å; D243-W267 PolarHBondContact OD2-N 3.16Å; Y252-W267 AromaticContact CD2-CH2 3.84Å; Y252-W267 HydrophobicContact CD2-CH2 3.84Å; Y252-W267 AromaticContact CD2-CZ3 3.77Å; Y252-W267 HydrophobicContact CD2-CZ3 3.77Å; Y252-W267 HydrophobicContact CE2-CH2 4.45Å; Y252-W267 HydrophobicContact CE2-CZ3 4.33Å; Y252-W267 AromaticContact CG-CH2 3.92Å; Y252-W267 HydrophobicContact CG-CH2 3.92Å; Y252-W267 HydrophobicContact CG-CZ3 4.29Å; V257-W267 HydrophobicContact CB-CH2 4.32Å; V257-W267 HydrophobicContact CB-CZ2 3.83Å; V257-W267 HydrophobicContact CG1-CH2 3.84Å; V257-W267 HydrophobicContact CG1-CZ2 3.83Å; V257-W267 HydrophobicContact CG2-CH2 4.38Å; V257-W267 HydrophobicContact CG2-CZ2 3.93Å; P263-W267 HydrophobicContact CG-CB 3.87Å; P263-W267 HydrophobicContact CG-CG 4.06Å; W267-C269 HydrophobicContact CH2-CB 3.74Å; W267-C269 HydrophobicContact CZ3-CB 4.04Å
268F92.4Very high87.3Confident67 Ų6793.2 Ų93.229%0.29452%0.522SS..  trans-122.2136.8-179.4-58.3-82.2000109.2D243 C244 A266 C272 A273 M276D243-F268 HydrophobicContact CB-CD1 4.46Å; D243-F268 HydrophobicContact CB-CE1 3.95Å; D243-F268 HydrophobicContact CB-CZ 4.21Å; C244-F268 HydrophobicContact CB-CD1 4.03Å; C244-F268 HydrophobicContact CB-CE1 4.37Å; A266-F268 HydrophobicContact CB-CE2 3.83Å; A266-F268 HydrophobicContact CB-CZ 4Å; F268-C272 HydrophobicContact CB-CB 4.37Å; F268-A273 HydrophobicContact CB-CB 4.26Å; F268-M276 HydrophobicContact CB-CE 4.21Å; F268-M276 HydrophobicContact CD1-CE 3.4Å; F268-M276 HydrophobicContact CD2-CE 3.52Å; F268-M276 HydrophobicContact CE1-CE 3.48Å; F268-M276 VanDerWaalsContact CE1-CE 3.48Å; F268-M276 HydrophobicContact CE2-CE 3.61Å; F268-M276 HydrophobicContact CG-CE 3.4Å; F268-M276 VanDerWaalsContact CG-CE 3.4Å; F268-M276 HydrophobicContact CZ-CE 3.58Å
269C92.1Very high87.1Confident1 Ų194.7 Ų94.71%0.00751%0.513CS..  trans-68163.4175.576.50000110.9C242 Y252 W267 Q271 C272 A273C242-C269 HydrophobicContact CB-CB 4.36Å; C242-C269 PolarHBondContact SG-N 3.17Å; Y252-C269 HydrophobicContact CD2-CB 4.31Å; Y252-C269 HydrophobicContact CE1-CB 3.96Å; Y252-C269 HydrophobicContact CE2-CB 3.64Å; Y252-C269 VanDerWaalsContact CZ-CB 3.43Å; Y252-C269 WeakPolarHBondContact OH-CB 3.39Å; Y252-C269 PolarHBondContact OH-SG 3.43Å; W267-C269 HydrophobicContact CH2-CB 3.74Å; W267-C269 HydrophobicContact CZ3-CB 4.04Å; C269-Q271 PolarHBondContact O-N 3.34Å; C269-C272 PolarHBondContact O-N 3.28Å; C269-C272 PolarHBondContact SG-N 3.14Å; C269-C272 VanDerWaalsContact SG-N 3.36Å; C269-C272 VanDerWaalsContact SG-SG 3.61Å; C269-A273 VanDerWaalsContact O-CB 3.29Å; C269-A273 WeakPolarHBondContact O-CB 3.45Å; C269-A273 PolarHBondContact O-N 3.48Å
270Q89.1Confident86.9Confident160 Ų16098.1 Ų98.175%0.74853%0.532SS*.Hα-helixtrans-54.3-32.1-179.2-62.7-67.3-4.700113.4A274Q270-A274 WeakPolarHBondContact O-CB 3.34Å; Q270-A274 PolarHBondContact O-N 3.41Å
271Q88.3Confident86.9Confident101 Ų10193.1 Ų93.147%0.47251%0.513SS..Hα-helixtrans-75.5-38.7178.2-63.7-177.6-1.600112.9C269 K275C269-Q271 PolarHBondContact O-N 3.34Å; Q271-K275 WeakPolarHBondContact O-CG 3.43Å
272C91.2Very high86.8Confident5 Ų588 Ų883%0.03450%0.498CS..Hα-helixtrans-79.7-34.7178.5-68.70000111.8C244 F268 C269 A274 K275 M276C244-C272 HydrophobicContact CB-CB 3.66Å; C244-C272 WeakPolarHBondContact CB-SG 3.26Å; C244-C272 VanDerWaalsContact SG-SG 3.69Å; F268-C272 HydrophobicContact CB-CB 4.37Å; C269-C272 PolarHBondContact O-N 3.28Å; C269-C272 PolarHBondContact SG-N 3.14Å; C269-C272 VanDerWaalsContact SG-N 3.36Å; C269-C272 VanDerWaalsContact SG-SG 3.61Å; C272-A274 VanDerWaalsContact C-N 3.28Å; C272-A274 PolarHBondContact O-N 2.68Å; C272-K275 PolarHBondContact O-N 3.39Å; C272-K275 VanDerWaalsContact O-N 3.15Å; C272-M276 PolarHBondContact O-N 2.9Å
273A87.8Confident86.6Confident45 Ų4589.3 Ų89.337%0.37249%0.493SS..Hα-helixtrans-64.2-32.8173.900000112.1F268 C269 K275F268-A273 HydrophobicContact CB-CB 4.26Å; C269-A273 VanDerWaalsContact O-CB 3.29Å; C269-A273 WeakPolarHBondContact O-CB 3.45Å; C269-A273 PolarHBondContact O-N 3.48Å; A273-K275 VanDerWaalsContact C-N 3.31Å
274A86.3Confident86.5Confident85 Ų8592.2 Ų92.270%0.70250%0.504SS*.THydrogen-bonded Turntrans-78.5-12.4174.800000114.1Q270 C272Q270-A274 WeakPolarHBondContact O-CB 3.34Å; Q270-A274 PolarHBondContact O-N 3.41Å; C272-A274 VanDerWaalsContact C-N 3.28Å; C272-A274 PolarHBondContact O-N 2.68Å
275K76.9Confident86.5Confident173 Ų17381.8 Ų81.875%0.75247%0.468SS*.THydrogen-bonded Turntrans-95.7-2.7177.9-77-179.7179.4-171.50113.2Q271 C272 A273Q271-K275 WeakPolarHBondContact O-CG 3.43Å; C272-K275 PolarHBondContact O-N 3.39Å; C272-K275 VanDerWaalsContact O-N 3.15Å; A273-K275 VanDerWaalsContact C-N 3.31Å
276M63.5Low86.4Confident172 Ų17283.2 Ų83.285%0.84745%0.449SS*.  trans-101.80171.3-73.6-158.3-89.700110.4F268 C272F268-M276 HydrophobicContact CB-CE 4.21Å; F268-M276 HydrophobicContact CD1-CE 3.4Å; F268-M276 HydrophobicContact CD2-CE 3.52Å; F268-M276 HydrophobicContact CE1-CE 3.48Å; F268-M276 VanDerWaalsContact CE1-CE 3.48Å; F268-M276 HydrophobicContact CE2-CE 3.61Å; F268-M276 HydrophobicContact CG-CE 3.4Å; F268-M276 VanDerWaalsContact CG-CE 3.4Å; F268-M276 HydrophobicContact CZ-CE 3.58Å; C272-M276 PolarHBondContact O-N 2.9Å

Retrieved 276 of 276 residues in 247.4 ms (Link to these results)

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