A0A3Q0KQU2_SCHMA Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A3Q0KQU2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 590 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M76.4Confident88.9Confident202 Ų20298.8 Ų98.8100%0.99551%0.512SS*.  0-58.90-68176.7178.300112.4Y3 A4 L5M1-Y3 PolarHBondContact O-N 2.88Å; M1-A4 PolarHBondContact O-N 3.45Å; M1-L5 PolarHBondContact O-N 3.35Å
2R86.5Confident89.4Confident214 Ų21498.7 Ų98.781%0.80851%0.51SS*.Hα-helixtrans-49.6-49.7-177.5-63.6-176.3-179.3179.7-0.4115.1A4 L5 L6R2-A4 VanDerWaalsContact C-N 3.33Å; R2-A4 PolarHBondContact O-N 2.93Å; R2-L5 PolarHBondContact O-N 3.02Å; R2-L6 PolarHBondContact O-N 3.34Å; R2-L6 VanDerWaalsContact O-N 3.11Å
3Y84.4Confident89.8Confident154 Ų15496.5 Ų96.560%0.60450%0.504SS*.Hα-helixtrans-64.4-33.5179.1-57-71000114.2M1 L6 A7 F54M1-Y3 PolarHBondContact O-N 2.88Å; Y3-L6 PolarHBondContact O-N 3.32Å; Y3-A7 WeakPolarHBondContact O-CB 3.37Å; Y3-A7 PolarHBondContact O-N 2.81Å; Y3-F54 HydrophobicContact CD1-CE1 4.39Å; Y3-F54 HydrophobicContact CD1-CZ 4.33Å; Y3-F54 HydrophobicContact CG-CE1 4.5Å
4A86.9Confident90.1Very high65 Ų6590.5 Ų90.554%0.53747%0.474SS..Hα-helixtrans-70.7-38.9179.400000111.1M1 R2 A7 S8M1-A4 PolarHBondContact O-N 3.45Å; R2-A4 VanDerWaalsContact C-N 3.33Å; R2-A4 PolarHBondContact O-N 2.93Å; A4-A7 PolarHBondContact O-N 2.8Å; A4-S8 WeakPolarHBondContact O-CB 3.27Å; A4-S8 PolarHBondContact O-N 3.01Å; A4-S8 PolarHBondContact O-OG 3.44Å
5L90.8Very high90.4Very high119 Ų11988 Ų8862%0.62347%0.467SS*.Hα-helixtrans-64.8-41.4174.2-67.7174.2000112M1 R2 S8 A9M1-L5 PolarHBondContact O-N 3.35Å; R2-L5 PolarHBondContact O-N 3.02Å; L5-S8 PolarHBondContact O-OG 2.88Å; L5-S8 VanDerWaalsContact O-OG 3.05Å; L5-A9 WeakPolarHBondContact O-CB 3.36Å; L5-A9 PolarHBondContact O-N 2.98Å
6L90.2Very high90.7Very high109 Ų10989.1 Ų89.157%0.57147%0.472SS*.Hα-helixtrans-63.5-43.2175.7-73.2169.6000111.7R2 Y3 S10R2-L6 PolarHBondContact O-N 3.34Å; R2-L6 VanDerWaalsContact O-N 3.11Å; Y3-L6 PolarHBondContact O-N 3.32Å; L6-S10 WeakPolarHBondContact O-CB 3.27Å; L6-S10 PolarHBondContact O-N 3Å; L6-S10 PolarHBondContact O-OG 3.4Å
7A91Very high90.9Very high15 Ų1585.6 Ų85.612%0.12446%0.455CS..Hα-helixtrans-68.6-37.617900000113.1Y3 A4 S10 L11 V51 L55Y3-A7 WeakPolarHBondContact O-CB 3.37Å; Y3-A7 PolarHBondContact O-N 2.81Å; A4-A7 PolarHBondContact O-N 2.8Å; A7-S10 PolarHBondContact O-OG 3.37Å; A7-S10 VanDerWaalsContact O-OG 3.07Å; A7-L11 WeakPolarHBondContact O-CB 3.13Å; A7-L11 PolarHBondContact O-N 3.36Å; A7-L11 VanDerWaalsContact O-N 3.11Å; A7-V51 HydrophobicContact CB-CG1 3.72Å; A7-L55 HydrophobicContact CB-CD1 4.33Å
8S91.9Very high91.1Very high58 Ų5884.1 Ų84.141%0.40645%0.449SS..Hα-helixtrans-70.3-42.3175.6630000111.5A4 L5 L11 I12A4-S8 WeakPolarHBondContact O-CB 3.27Å; A4-S8 PolarHBondContact O-N 3.01Å; A4-S8 PolarHBondContact O-OG 3.44Å; L5-S8 PolarHBondContact O-OG 2.88Å; L5-S8 VanDerWaalsContact O-OG 3.05Å; S8-L11 PolarHBondContact O-N 3.15Å; S8-I12 WeakPolarHBondContact O-CD1 3.39Å; S8-I12 VanDerWaalsContact O-CG1 3.25Å; S8-I12 WeakPolarHBondContact O-CG1 3.41Å; S8-I12 PolarHBondContact O-N 3Å
9A92.5Very high91.2Very high50 Ų5084.5 Ų84.541%0.41346%0.455SS..Hα-helixtrans-61.5-44.6176.300000111.8L5 L11 I12 V13L5-A9 WeakPolarHBondContact O-CB 3.36Å; L5-A9 PolarHBondContact O-N 2.98Å; A9-L11 VanDerWaalsContact C-N 3.34Å; A9-L11 PolarHBondContact O-N 2.92Å; A9-I12 PolarHBondContact O-N 3.04Å; A9-V13 WeakPolarHBondContact O-CG2 3.46Å; A9-V13 PolarHBondContact O-N 2.93Å
10S93.3Very high91.3Very high10 Ų1084.8 Ų84.87%0.0746%0.457CS..Hα-helixtrans-63.6-41.2177.978.20000111.9L6 A7 V13 S14 Q48L6-S10 WeakPolarHBondContact O-CB 3.27Å; L6-S10 PolarHBondContact O-N 3Å; L6-S10 PolarHBondContact O-OG 3.4Å; A7-S10 PolarHBondContact O-OG 3.37Å; A7-S10 VanDerWaalsContact O-OG 3.07Å; S10-V13 PolarHBondContact O-N 3.46Å; S10-S14 WeakPolarHBondContact O-CB 3.45Å; S10-S14 PolarHBondContact O-N 3.04Å; S10-S14 PolarHBondContact O-OG 3.48Å; S10-Q48 PolarHBondContact O-OE1 3.29Å; S10-Q48 PolarHBondContact OG-OE1 2.99Å
11L94.3Very high91.4Very high91 Ų9181.2 Ų81.248%0.47644%0.438SS..Hα-helixtrans-61.8-47.7177.2-171.5146.3000110.6A7 S8 A9 V13 S14 S15A7-L11 WeakPolarHBondContact O-CB 3.13Å; A7-L11 PolarHBondContact O-N 3.36Å; A7-L11 VanDerWaalsContact O-N 3.11Å; S8-L11 PolarHBondContact O-N 3.15Å; A9-L11 VanDerWaalsContact C-N 3.34Å; A9-L11 PolarHBondContact O-N 2.92Å; L11-V13 PolarHBondContact O-N 3.39Å; L11-S14 PolarHBondContact O-N 3.41Å; L11-S14 PolarHBondContact O-OG 3.35Å; L11-S15 WeakPolarHBondContact O-CB 3.11Å; L11-S15 PolarHBondContact O-N 3.13Å; L11-S15 PolarHBondContact O-OG 3.05Å
12I95.2Very high92.3Very high97 Ų9777.9 Ų77.950%0.49742%0.415SS..Hα-helixtrans-58.1-49.5177.1-67.6163.1000111S8 A9 S14 S15 I16S8-I12 WeakPolarHBondContact O-CD1 3.39Å; S8-I12 VanDerWaalsContact O-CG1 3.25Å; S8-I12 WeakPolarHBondContact O-CG1 3.41Å; S8-I12 PolarHBondContact O-N 3Å; A9-I12 PolarHBondContact O-N 3.04Å; I12-S14 PolarHBondContact O-N 3.34Å; I12-S15 PolarHBondContact O-N 2.88Å; I12-I16 HydrophobicContact CG2-CD1 3.72Å; I12-I16 HydrophobicContact CG2-CG1 4.45Å; I12-I16 VanDerWaalsContact O-CG1 3.27Å; I12-I16 WeakPolarHBondContact O-CG1 3.22Å; I12-I16 PolarHBondContact O-N 3.3Å
13V94.4Very high92.6Very high71 Ų7176.4 Ų76.443%0.4341%0.411SS..Hα-helixtrans-61.2-45.2179.71730000111A9 S10 L11 I16 V17 I44A9-V13 WeakPolarHBondContact O-CG2 3.46Å; A9-V13 PolarHBondContact O-N 2.93Å; S10-V13 PolarHBondContact O-N 3.46Å; L11-V13 PolarHBondContact O-N 3.39Å; V13-I16 PolarHBondContact O-N 3.45Å; V13-V17 WeakPolarHBondContact O-CG2 3.37Å; V13-V17 PolarHBondContact O-N 3.29Å; V13-I44 HydrophobicContact CG1-CD1 4.17Å; V13-I44 HydrophobicContact CG1-CG2 4.04Å
14S94Very high93Very high12 Ų1277.3 Ų77.38%0.08441%0.413CS..Hα-helixtrans-63.6-42.2178.471.90000112.2S10 L11 I12 V17 V18S10-S14 WeakPolarHBondContact O-CB 3.45Å; S10-S14 PolarHBondContact O-N 3.04Å; S10-S14 PolarHBondContact O-OG 3.48Å; L11-S14 PolarHBondContact O-N 3.41Å; L11-S14 PolarHBondContact O-OG 3.35Å; I12-S14 PolarHBondContact O-N 3.34Å; S14-V17 PolarHBondContact O-N 3.13Å; S14-V18 VanDerWaalsContact O-CG2 3.31Å; S14-V18 WeakPolarHBondContact O-CG2 3.33Å; S14-V18 PolarHBondContact O-N 2.93Å
15S94.3Very high93.2Very high53 Ų5378.7 Ų78.737%0.37141%0.407SS..Hα-helixtrans-62.3-45175.5-62.90000111.5L11 I12 V17 V18 T19L11-S15 WeakPolarHBondContact O-CB 3.11Å; L11-S15 PolarHBondContact O-N 3.13Å; L11-S15 PolarHBondContact O-OG 3.05Å; I12-S15 PolarHBondContact O-N 2.88Å; S15-V17 VanDerWaalsContact C-N 3.34Å; S15-V17 PolarHBondContact O-N 3.03Å; S15-V18 PolarHBondContact O-N 3.33Å; S15-T19 VanDerWaalsContact O-CB 3.26Å; S15-T19 WeakPolarHBondContact O-CB 3.29Å; S15-T19 PolarHBondContact O-N 2.96Å; S15-T19 PolarHBondContact O-OG1 3.47Å
16I95Very high93.1Very high106 Ų10681 Ų8154%0.54441%0.412SS..Hα-helixtrans-59.7-45.1177-68.6165.4000110.8I12 V13 N20I12-I16 HydrophobicContact CG2-CD1 3.72Å; I12-I16 HydrophobicContact CG2-CG1 4.45Å; I12-I16 VanDerWaalsContact O-CG1 3.27Å; I12-I16 WeakPolarHBondContact O-CG1 3.22Å; I12-I16 PolarHBondContact O-N 3.3Å; V13-I16 PolarHBondContact O-N 3.45Å; I16-N20 WeakPolarHBondContact O-CB 3.33Å; I16-N20 PolarHBondContact O-N 3.34Å
17V94.2Very high93.2Very high29 Ų2981.8 Ų81.818%0.17641%0.413CS..Hα-helixtrans-63.9-47.1179.51720000111.2V13 S14 S15 T21 L35 I44V13-V17 WeakPolarHBondContact O-CG2 3.37Å; V13-V17 PolarHBondContact O-N 3.29Å; S14-V17 PolarHBondContact O-N 3.13Å; S15-V17 VanDerWaalsContact C-N 3.34Å; S15-V17 PolarHBondContact O-N 3.03Å; V17-T21 VanDerWaalsContact O-CG2 3.27Å; V17-T21 WeakPolarHBondContact O-CG2 3.47Å; V17-T21 PolarHBondContact O-N 2.96Å; V17-T21 PolarHBondContact O-OG1 2.82Å; V17-L35 HydrophobicContact CG1-CD2 3.98Å; V17-I44 HydrophobicContact CG2-CD1 3.85Å
18V94.1Very high93.3Very high58 Ų5888.7 Ų88.735%0.35244%0.44SS..Hα-helixtrans-66.1-43.3179.6173.90000111.4S14 S15 T21 Y22 L35 L45S14-V18 VanDerWaalsContact O-CG2 3.31Å; S14-V18 WeakPolarHBondContact O-CG2 3.33Å; S14-V18 PolarHBondContact O-N 2.93Å; S15-V18 PolarHBondContact O-N 3.33Å; V18-T21 PolarHBondContact O-OG1 2.86Å; V18-Y22 WeakPolarHBondContact O-CB 3.32Å; V18-Y22 PolarHBondContact O-N 3.01Å; V18-L35 HydrophobicContact CG2-CD1 4.19Å; V18-L45 HydrophobicContact CG2-CD2 3.98Å
19T94Very high93.4Very high93 Ų9394.4 Ų94.457%0.57145%0.454SS*.Hα-helixtrans-66.5-41.8178.2-60.40000111.6S15 Y22 Y23S15-T19 VanDerWaalsContact O-CB 3.26Å; S15-T19 WeakPolarHBondContact O-CB 3.29Å; S15-T19 PolarHBondContact O-N 2.96Å; S15-T19 PolarHBondContact O-OG1 3.47Å; T19-Y22 PolarHBondContact O-N 3.02Å; T19-Y23 WeakPolarHBondContact O-CB 3.31Å; T19-Y23 PolarHBondContact O-N 2.97Å
20N93.1Very high93.4Very high90 Ų9093.9 Ų93.948%0.48145%0.446SS..Hα-helixtrans-64.9-44.9177.6-176.113.4000111.6I16 Y23 R24I16-N20 WeakPolarHBondContact O-CB 3.33Å; I16-N20 PolarHBondContact O-N 3.34Å; N20-Y23 PolarHBondContact O-N 3.36Å; N20-R24 WeakPolarHBondContact O-CG 3.25Å; N20-R24 PolarHBondContact O-N 2.95Å
21T93Very high93.4Very high10 Ų1093.7 Ų93.76%0.06145%0.445CS..Hα-helixtrans-66.3-40.1177.756.50000111.8V17 V18 R24 K25 Y34 L35V17-T21 VanDerWaalsContact O-CG2 3.27Å; V17-T21 WeakPolarHBondContact O-CG2 3.47Å; V17-T21 PolarHBondContact O-N 2.96Å; V17-T21 PolarHBondContact O-OG1 2.82Å; V18-T21 PolarHBondContact O-OG1 2.86Å; T21-R24 PolarHBondContact O-N 3.2Å; T21-K25 WeakPolarHBondContact O-CB 3.43Å; T21-K25 PolarHBondContact O-N 2.66Å; T21-Y34 HydrophobicContact CG2-CD1 3.51Å; T21-Y34 HydrophobicContact CG2-CE1 3.51Å; T21-L35 HydrophobicContact CG2-CD2 3.89Å
22Y94.4Very high93.4Very high131 Ų13192.1 Ų92.151%0.51444%0.439SS..Hα-helixtrans-61-45173.9-175.7-101.2000111.8V18 T19 R24 K25 K26 T31V18-Y22 WeakPolarHBondContact O-CB 3.32Å; V18-Y22 PolarHBondContact O-N 3.01Å; T19-Y22 PolarHBondContact O-N 3.02Å; Y22-R24 VanDerWaalsContact C-N 3.33Å; Y22-R24 PolarHBondContact O-N 3.07Å; Y22-K25 PolarHBondContact O-N 3.23Å; Y22-K26 WeakPolarHBondContact O-CA 3.31Å; Y22-K26 PolarHBondContact O-N 3.32Å; Y22-T31 HydrophobicContact CD2-CG2 4.49Å
23Y94.5Very high93.3Very high183 Ų18389.8 Ų89.872%0.71843%0.429SS*.Hα-helixtrans-62.8-38.6178-166.3-94.3000112.4T19 N20T19-Y23 WeakPolarHBondContact O-CB 3.31Å; T19-Y23 PolarHBondContact O-N 2.97Å; N20-Y23 PolarHBondContact O-N 3.36Å
24R92.6Very high93.2Very high173 Ų17390.1 Ų90.165%0.65342%0.423SS*.Hα-helixtrans-71.1-36.3177.5-71.1-176.874-174.64.1113.5N20 T21 Y22N20-R24 WeakPolarHBondContact O-CG 3.25Å; N20-R24 PolarHBondContact O-N 2.95Å; T21-R24 PolarHBondContact O-N 3.2Å; Y22-R24 VanDerWaalsContact C-N 3.33Å; Y22-R24 PolarHBondContact O-N 3.07Å
25K91.6Very high93.2Very high95 Ų9590.2 Ų90.241%0.41342%0.423SS..Hα-helixtrans-95-23.5-174.8-67.2-62.4-174.1179.40113.8T21 Y22 Q27 P30 T31T21-K25 WeakPolarHBondContact O-CB 3.43Å; T21-K25 PolarHBondContact O-N 2.66Å; Y22-K25 PolarHBondContact O-N 3.23Å; K25-Q27 PolarHBondContact O-N 3.12Å; K25-P30 HydrophobicContact CB-CB 4.3Å; K25-P30 HydrophobicContact CD-CB 4.21Å; K25-P30 HydrophobicContact CG-CB 4.41Å; K25-T31 WeakPolarHBondContact CB-OG1 3.26Å
26K88.7Confident93Very high166 Ų16691 Ų9172%0.72243%0.425SS*.  trans55.6-3.1-179.4-58.7-174.1178-176.70116.4Y22Y22-K26 WeakPolarHBondContact O-CA 3.31Å; Y22-K26 PolarHBondContact O-N 3.32Å
27Q91.6Very high92.9Very high127 Ų12791.6 Ų91.659%0.59343%0.429SS*.SBendtrans-129.3142-178.5-67.9-178-14.400109.6K25 P30 T31K25-Q27 PolarHBondContact O-N 3.12Å; Q27-P30 HydrophobicContact CB-CG 3.93Å; Q27-T31 WeakPolarHBondContact O-CB 3.22Å; Q27-T31 PolarHBondContact O-N 3.41Å; Q27-T31 PolarHBondContact O-OG1 3.42Å
28F93Very high92.8Very high159 Ų15992.6 Ų92.670%0.69743%0.434SS*.Hα-helixtrans-61.2-53.8-176.5176-102.2000112.7T31 V32F28-T31 VanDerWaalsContact O-CB 3.31Å; F28-T31 WeakPolarHBondContact O-CB 3.46Å; F28-T31 PolarHBondContact O-N 2.95Å; F28-T31 VanDerWaalsContact O-N 3.12Å; F28-V32 HydrophobicContact CD1-CG2 4.48Å; F28-V32 HydrophobicContact CD2-CG2 4.39Å; F28-V32 HydrophobicContact CE1-CG2 4.07Å; F28-V32 HydrophobicContact CE2-CG2 3.97Å; F28-V32 HydrophobicContact CZ-CG2 3.8Å; F28-V32 PolarHBondContact O-N 3.42Å
29Y93.9Very high92.7Very high179 Ų17996.7 Ų96.770%0.70245%0.449SS*.Hα-helixtrans-61-49.9-174.3177.7-94.6000113.5T31 V32 V33Y29-T31 PolarHBondContact O-N 3.41Å; Y29-V32 PolarHBondContact O-N 2.95Å; Y29-V33 HydrophobicContact CD1-CG2 4.28Å; Y29-V33 HydrophobicContact CE1-CG2 3.89Å; Y29-V33 HydrophobicContact CE2-CG2 4.21Å; Y29-V33 WeakPolarHBondContact O-CG2 3.31Å; Y29-V33 PolarHBondContact O-N 3.4Å
30P93.1Very high92.6Very high38 Ų3895.9 Ų95.925%0.24745%0.446CS..Hα-helixtrans-63.6-26175.6-22.834.5000114.1K25 Q27 Y34K25-P30 HydrophobicContact CB-CB 4.3Å; K25-P30 HydrophobicContact CD-CB 4.21Å; K25-P30 HydrophobicContact CG-CB 4.41Å; Q27-P30 HydrophobicContact CB-CG 3.93Å; P30-Y34 VanDerWaalsContact O-CB 3.31Å; P30-Y34 WeakPolarHBondContact O-CB 3.48Å; P30-Y34 PolarHBondContact O-N 3.2Å
31T93.3Very high92.6Very high7 Ų792 Ų924%0.04343%0.425CS..Hα-helixtrans-67.5-48.9174.5-56.80000110.4Y22 K25 Q27 F28 Y29 Y34 L35Y22-T31 HydrophobicContact CD2-CG2 4.49Å; K25-T31 WeakPolarHBondContact CB-OG1 3.26Å; Q27-T31 WeakPolarHBondContact O-CB 3.22Å; Q27-T31 PolarHBondContact O-N 3.41Å; Q27-T31 PolarHBondContact O-OG1 3.42Å; F28-T31 VanDerWaalsContact O-CB 3.31Å; F28-T31 WeakPolarHBondContact O-CB 3.46Å; F28-T31 PolarHBondContact O-N 2.95Å; F28-T31 VanDerWaalsContact O-N 3.12Å; Y29-T31 PolarHBondContact O-N 3.41Å; T31-Y34 PolarHBondContact O-N 3.4Å; T31-L35 HydrophobicContact CG2-CD1 4.05Å; T31-L35 WeakPolarHBondContact O-CB 3.46Å; T31-L35 VanDerWaalsContact O-CG 3.32Å; T31-L35 WeakPolarHBondContact O-CG 3.36Å; T31-L35 PolarHBondContact O-N 3.49Å
32V93.1Very high92.5Very high58 Ų5894.1 Ų94.135%0.35244%0.436SS..Hα-helixtrans-60.8-48.11781770000110.6F28 Y29 Y34 L35 T36F28-V32 HydrophobicContact CD1-CG2 4.48Å; F28-V32 HydrophobicContact CD2-CG2 4.39Å; F28-V32 HydrophobicContact CE1-CG2 4.07Å; F28-V32 HydrophobicContact CE2-CG2 3.97Å; F28-V32 HydrophobicContact CZ-CG2 3.8Å; F28-V32 PolarHBondContact O-N 3.42Å; Y29-V32 PolarHBondContact O-N 2.95Å; V32-Y34 VanDerWaalsContact C-N 3.3Å; V32-Y34 PolarHBondContact O-N 3.08Å; V32-L35 PolarHBondContact O-N 3.11Å; V32-L35 VanDerWaalsContact O-N 3.13Å; V32-T36 HydrophobicContact CG1-CG2 4.32Å; V32-T36 WeakPolarHBondContact O-CG2 3.35Å; V32-T36 PolarHBondContact O-N 3.05Å; V32-T36 PolarHBondContact O-OG1 2.94Å; V32-T36 VanDerWaalsContact O-OG1 3.14Å
33V93.3Very high92.4Very high47 Ų4791.5 Ų91.529%0.28544%0.437SS..Hα-helixtrans-59.7-40.4178.6175.10000111.9Y29 T36 N37Y29-V33 HydrophobicContact CD1-CG2 4.28Å; Y29-V33 HydrophobicContact CE1-CG2 3.89Å; Y29-V33 HydrophobicContact CE2-CG2 4.21Å; Y29-V33 WeakPolarHBondContact O-CG2 3.31Å; Y29-V33 PolarHBondContact O-N 3.4Å; V33-T36 PolarHBondContact O-OG1 2.86Å; V33-T36 VanDerWaalsContact O-OG1 3.13Å; V33-N37 VanDerWaalsContact O-CB 3.29Å; V33-N37 WeakPolarHBondContact O-CB 3.41Å; V33-N37 PolarHBondContact O-N 3.34Å
34Y92.6Very high92.4Very high78 Ų7885.1 Ų85.131%0.30642%0.415SS..Hα-helixtrans-65.1-43.9175.8-178.3-87.8000111.8T21 P30 T31 V32 T36 N38T21-Y34 HydrophobicContact CG2-CD1 3.51Å; T21-Y34 HydrophobicContact CG2-CE1 3.51Å; P30-Y34 VanDerWaalsContact O-CB 3.31Å; P30-Y34 WeakPolarHBondContact O-CB 3.48Å; P30-Y34 PolarHBondContact O-N 3.2Å; T31-Y34 PolarHBondContact O-N 3.4Å; V32-Y34 VanDerWaalsContact C-N 3.3Å; V32-Y34 PolarHBondContact O-N 3.08Å; Y34-T36 VanDerWaalsContact C-N 3.33Å; Y34-T36 PolarHBondContact O-N 3.01Å; Y34-N38 HydrophobicContact CD1-CB 4.48Å; Y34-N38 HydrophobicContact CE1-CB 4.2Å; Y34-N38 WeakPolarHBondContact O-CB 3.35Å; Y34-N38 PolarHBondContact O-N 3.17Å
35L92.9Very high92.3Very high15 Ų1579.2 Ų79.28%0.07940%0.396CS..Hα-helixtrans-64.2-36.4179.3-74.4172.5000112.5V17 V18 T21 T31 V32 L42 L45V17-L35 HydrophobicContact CG1-CD2 3.98Å; V18-L35 HydrophobicContact CG2-CD1 4.19Å; T21-L35 HydrophobicContact CG2-CD2 3.89Å; T31-L35 HydrophobicContact CG2-CD1 4.05Å; T31-L35 WeakPolarHBondContact O-CB 3.46Å; T31-L35 VanDerWaalsContact O-CG 3.32Å; T31-L35 WeakPolarHBondContact O-CG 3.36Å; T31-L35 PolarHBondContact O-N 3.49Å; V32-L35 PolarHBondContact O-N 3.11Å; V32-L35 VanDerWaalsContact O-N 3.13Å; L35-L42 PolarHBondContact O-N 3.14Å; L35-L45 HydrophobicContact CB-CD1 3.9Å; L35-L45 HydrophobicContact CD1-CD1 4.36Å; L35-L45 HydrophobicContact CD2-CD1 4.23Å; L35-L45 HydrophobicContact CG-CD1 4.39Å
36T91.3Very high92.3Very high68 Ų6879.5 Ų79.542%0.41740%0.401SS..Hα-helixtrans-80.3-32.918056.10000113.2V32 V33 Y34V32-T36 HydrophobicContact CG1-CG2 4.32Å; V32-T36 WeakPolarHBondContact O-CG2 3.35Å; V32-T36 PolarHBondContact O-N 3.05Å; V32-T36 PolarHBondContact O-OG1 2.94Å; V32-T36 VanDerWaalsContact O-OG1 3.14Å; V33-T36 PolarHBondContact O-OG1 2.86Å; V33-T36 VanDerWaalsContact O-OG1 3.13Å; Y34-T36 VanDerWaalsContact C-N 3.33Å; Y34-T36 PolarHBondContact O-N 3.01Å
37N92.1Very high92.4Very high119 Ų11977 Ų7764%0.63639%0.391SS*.Hα-helixtrans-85.6-27.9-178.9-72.5-11.8000113.2V33 Q39V33-N37 VanDerWaalsContact O-CB 3.29Å; V33-N37 WeakPolarHBondContact O-CB 3.41Å; V33-N37 PolarHBondContact O-N 3.34Å; N37-Q39 PolarHBondContact O-N 3.01Å
38N92.3Very high92.5Very high50 Ų5071.9 Ų71.927%0.26737%0.367SS..SBendtrans-82.5108.9-179-172.238.7000111.1Y34 P40 S41 L42Y34-N38 HydrophobicContact CD1-CB 4.48Å; Y34-N38 HydrophobicContact CE1-CB 4.2Å; Y34-N38 WeakPolarHBondContact O-CB 3.35Å; Y34-N38 PolarHBondContact O-N 3.17Å; N38-P40 WeakPolarHBondContact OD1-CD 3.46Å; N38-S41 PolarHBondContact ND2-OG 2.96Å; N38-S41 PolarHBondContact O-N 3.07Å; N38-L42 PolarHBondContact O-N 2.96Å
39Q92.8Very high92.4Very high144 Ų14468.1 Ų68.167%0.67336%0.359SS*.Hα-helixtrans-44.7-50.8-177.8-69.9-67.3-41.100115.2N37 L42 S43N37-Q39 PolarHBondContact O-N 3.01Å; Q39-L42 PolarHBondContact O-N 3.41Å; Q39-S43 WeakPolarHBondContact O-CB 3.41Å; Q39-S43 PolarHBondContact O-N 3.5Å
40P92.4Very high92.2Very high77 Ų7764 Ų6450%0.535%0.352SS..Hα-helixtrans-68.6-36.5-179.825.8-34.9000112.9N38 S43 I44N38-P40 WeakPolarHBondContact OD1-CD 3.46Å; P40-S43 PolarHBondContact O-N 2.73Å; P40-I44 WeakPolarHBondContact O-CG1 3.5Å; P40-I44 PolarHBondContact O-N 3.31Å; P40-I44 VanDerWaalsContact O-N 3.15Å
41S91.4Very high92.2Very high8 Ų863 Ų636%0.05635%0.346CS..Hα-helixtrans-65.8-42.7176.2-62.80000111N38 I44 L45N38-S41 PolarHBondContact ND2-OG 2.96Å; N38-S41 PolarHBondContact O-N 3.07Å; S41-I44 PolarHBondContact O-N 3.34Å; S41-L45 WeakPolarHBondContact O-CG 3.43Å; S41-L45 PolarHBondContact O-N 3.23Å; S41-L45 VanDerWaalsContact O-N 3.08Å
42L91.7Very high92.1Very high54 Ų5466.7 Ų66.728%0.28336%0.364SS..Hα-helixtrans-62.3-44.3175.9-176.766.4000111.5L35 N38 Q39 I44 L45 L46L35-L42 PolarHBondContact O-N 3.14Å; N38-L42 PolarHBondContact O-N 2.96Å; Q39-L42 PolarHBondContact O-N 3.41Å; L42-I44 VanDerWaalsContact C-N 3.35Å; L42-I44 PolarHBondContact O-N 3.11Å; L42-L45 PolarHBondContact O-N 2.93Å; L42-L46 HydrophobicContact CD1-CG 4.42Å; L42-L46 HydrophobicContact CG-CD1 4.13Å; L42-L46 HydrophobicContact CG-CG 4.39Å; L42-L46 WeakPolarHBondContact O-CG 3.49Å; L42-L46 PolarHBondContact O-N 3.04Å
43S92.3Very high91.9Very high77 Ų7768.4 Ų68.454%0.53837%0.371SS..Hα-helixtrans-59-43.8178.1-177.40000112.5Q39 P40 L46 F47Q39-S43 WeakPolarHBondContact O-CB 3.41Å; Q39-S43 PolarHBondContact O-N 3.5Å; P40-S43 PolarHBondContact O-N 2.73Å; S43-L46 PolarHBondContact O-N 3.21Å; S43-F47 WeakPolarHBondContact O-CB 3.49Å; S43-F47 PolarHBondContact O-N 2.92Å
44I93.4Very high91.7Very high49 Ų4971 Ų7125%0.25138%0.379SS..Hα-helixtrans-63.9-42.4176.6-67.6167.8000111V13 V17 P40 S41 L42 F47 Q48V13-I44 HydrophobicContact CG1-CD1 4.17Å; V13-I44 HydrophobicContact CG1-CG2 4.04Å; V17-I44 HydrophobicContact CG2-CD1 3.85Å; P40-I44 WeakPolarHBondContact O-CG1 3.5Å; P40-I44 PolarHBondContact O-N 3.31Å; P40-I44 VanDerWaalsContact O-N 3.15Å; S41-I44 PolarHBondContact O-N 3.34Å; L42-I44 VanDerWaalsContact C-N 3.35Å; L42-I44 PolarHBondContact O-N 3.11Å; I44-F47 PolarHBondContact O-N 3.08Å; I44-Q48 WeakPolarHBondContact O-CB 3.33Å; I44-Q48 PolarHBondContact O-N 2.81Å
45L91.9Very high91.6Very high48 Ų4871.2 Ų71.225%0.25139%0.385SS..Hα-helixtrans-65.8-42.1177.3-70.3175.8000112.2V18 L35 S41 L42 Q48 C49V18-L45 HydrophobicContact CG2-CD2 3.98Å; L35-L45 HydrophobicContact CB-CD1 3.9Å; L35-L45 HydrophobicContact CD1-CD1 4.36Å; L35-L45 HydrophobicContact CD2-CD1 4.23Å; L35-L45 HydrophobicContact CG-CD1 4.39Å; S41-L45 WeakPolarHBondContact O-CG 3.43Å; S41-L45 PolarHBondContact O-N 3.23Å; S41-L45 VanDerWaalsContact O-N 3.08Å; L42-L45 PolarHBondContact O-N 2.93Å; L45-Q48 WeakPolarHBondContact O-CB 3.43Å; L45-Q48 PolarHBondContact O-N 3.03Å; L45-C49 PolarHBondContact O-N 2.91Å; L45-C49 PolarHBondContact O-SG 3.47Å; L45-C49 VanDerWaalsContact O-SG 3.34Å
46L90.9Very high91.5Very high101 Ų10173.6 Ų73.653%0.52940%0.4SS..Hα-helixtrans-62.8-43.2175.6-72175.7000111.6L42 S43 Q48 C49 V50L42-L46 HydrophobicContact CD1-CG 4.42Å; L42-L46 HydrophobicContact CG-CD1 4.13Å; L42-L46 HydrophobicContact CG-CG 4.39Å; L42-L46 WeakPolarHBondContact O-CG 3.49Å; L42-L46 PolarHBondContact O-N 3.04Å; S43-L46 PolarHBondContact O-N 3.21Å; L46-Q48 VanDerWaalsContact C-N 3.3Å; L46-Q48 PolarHBondContact O-N 2.91Å; L46-C49 WeakPolarHBondContact O-CB 3.41Å; L46-C49 PolarHBondContact O-N 3.19Å; L46-V50 WeakPolarHBondContact O-CG2 3.4Å; L46-V50 PolarHBondContact O-N 3.45Å; L46-V50 VanDerWaalsContact O-N 3.08Å
47F92Very high91.4Very high115 Ų11572.6 Ų72.650%0.50439%0.393SS..Hα-helixtrans-60-42.4173.9-176.1-103.3000111.5S43 I44 C49 V50 V51S43-F47 WeakPolarHBondContact O-CB 3.49Å; S43-F47 PolarHBondContact O-N 2.92Å; I44-F47 PolarHBondContact O-N 3.08Å; F47-C49 VanDerWaalsContact C-N 3.34Å; F47-C49 PolarHBondContact O-N 3.2Å; F47-V50 PolarHBondContact O-N 3.44Å; F47-V51 HydrophobicContact CD1-CG2 4.21Å; F47-V51 HydrophobicContact CE1-CG2 3.87Å; F47-V51 HydrophobicContact CZ-CG2 4.14Å; F47-V51 WeakPolarHBondContact O-CG2 3.25Å; F47-V51 PolarHBondContact O-N 3.2Å
48Q93.7Very high91.2Very high19 Ų1972.3 Ų72.39%0.08939%0.386CS..Hα-helixtrans-62.9-38.8175.7-173.460.623.700112.2S10 I44 L45 L46 V50 V51 I52S10-Q48 PolarHBondContact O-OE1 3.29Å; S10-Q48 PolarHBondContact OG-OE1 2.99Å; I44-Q48 WeakPolarHBondContact O-CB 3.33Å; I44-Q48 PolarHBondContact O-N 2.81Å; L45-Q48 WeakPolarHBondContact O-CB 3.43Å; L45-Q48 PolarHBondContact O-N 3.03Å; L46-Q48 VanDerWaalsContact C-N 3.3Å; L46-Q48 PolarHBondContact O-N 2.91Å; Q48-V50 VanDerWaalsContact C-N 3.34Å; Q48-V50 PolarHBondContact O-N 3.26Å; Q48-V51 PolarHBondContact O-N 3.45Å; Q48-I52 HydrophobicContact CG-CD1 4.06Å; Q48-I52 VanDerWaalsContact O-CG1 3.3Å; Q48-I52 WeakPolarHBondContact O-CG1 3.3Å; Q48-I52 PolarHBondContact O-N 3.38Å
49C90.6Very high91.1Very high79 Ų7972.7 Ų72.753%0.53440%0.397SS..Hα-helixtrans-60.1-42.2173.2-70.20000112.1L45 L46 F47 I52 L53L45-C49 PolarHBondContact O-N 2.91Å; L45-C49 PolarHBondContact O-SG 3.47Å; L45-C49 VanDerWaalsContact O-SG 3.34Å; L46-C49 WeakPolarHBondContact O-CB 3.41Å; L46-C49 PolarHBondContact O-N 3.19Å; F47-C49 VanDerWaalsContact C-N 3.34Å; F47-C49 PolarHBondContact O-N 3.2Å; C49-I52 PolarHBondContact O-N 2.91Å; C49-L53 WeakPolarHBondContact O-CB 3.48Å; C49-L53 PolarHBondContact O-N 3.22Å
50V89.8Confident91.1Very high92 Ų9268.6 Ų68.656%0.55838%0.379SS*.Hα-helixtrans-64.4-41.6176.31750000111.3L46 F47 Q48 L53 F54L46-V50 WeakPolarHBondContact O-CG2 3.4Å; L46-V50 PolarHBondContact O-N 3.45Å; L46-V50 VanDerWaalsContact O-N 3.08Å; F47-V50 PolarHBondContact O-N 3.44Å; Q48-V50 VanDerWaalsContact C-N 3.34Å; Q48-V50 PolarHBondContact O-N 3.26Å; V50-L53 PolarHBondContact O-N 3.03Å; V50-F54 WeakPolarHBondContact O-CB 3.41Å; V50-F54 PolarHBondContact O-N 3.4Å
51V92.1Very high91Very high19 Ų1966 Ų6612%0.11536%0.362CS..Hα-helixtrans-62.5-45.9175.8172.10000111A7 F47 Q48 L53 F54 L55A7-V51 HydrophobicContact CB-CG1 3.72Å; F47-V51 HydrophobicContact CD1-CG2 4.21Å; F47-V51 HydrophobicContact CE1-CG2 3.87Å; F47-V51 HydrophobicContact CZ-CG2 4.14Å; F47-V51 WeakPolarHBondContact O-CG2 3.25Å; F47-V51 PolarHBondContact O-N 3.2Å; Q48-V51 PolarHBondContact O-N 3.45Å; V51-L53 PolarHBondContact O-N 3.2Å; V51-F54 PolarHBondContact O-N 3.28Å; V51-L55 HydrophobicContact CG1-CD1 4.33Å; V51-L55 WeakPolarHBondContact O-CG 3.48Å; V51-L55 PolarHBondContact O-N 3.34Å
52I90.8Very high91Very high84 Ų8473.4 Ų73.443%0.43139%0.39SS..Hα-helixtrans-61-46176.9-68.9166.6000110.3Q48 C49 F54 L55 V56Q48-I52 HydrophobicContact CG-CD1 4.06Å; Q48-I52 VanDerWaalsContact O-CG1 3.3Å; Q48-I52 WeakPolarHBondContact O-CG1 3.3Å; Q48-I52 PolarHBondContact O-N 3.38Å; C49-I52 PolarHBondContact O-N 2.91Å; I52-F54 VanDerWaalsContact C-N 3.33Å; I52-F54 PolarHBondContact O-N 2.93Å; I52-L55 PolarHBondContact O-N 3.38Å; I52-L55 VanDerWaalsContact O-N 3.16Å; I52-V56 HydrophobicContact CG2-CG2 4.3Å; I52-V56 WeakPolarHBondContact O-CG2 3.4Å; I52-V56 PolarHBondContact O-N 2.95Å
53L89.1Confident91Very high94 Ų9473.4 Ų73.449%0.49240%0.397SS..Hα-helixtrans-57.3-46.2176.4-178.765.6000111.2C49 V50 V51 L55 V56 V57C49-L53 WeakPolarHBondContact O-CB 3.48Å; C49-L53 PolarHBondContact O-N 3.22Å; V50-L53 PolarHBondContact O-N 3.03Å; V51-L53 PolarHBondContact O-N 3.2Å; L53-L55 VanDerWaalsContact C-N 3.35Å; L53-L55 PolarHBondContact O-N 3.03Å; L53-V56 PolarHBondContact O-N 3.16Å; L53-V57 HydrophobicContact CG-CG2 4.42Å; L53-V57 WeakPolarHBondContact O-CG2 3.29Å; L53-V57 PolarHBondContact O-N 3Å
54F89.1Confident90.9Very high101 Ų10170.8 Ų70.844%0.44338%0.376SS..Hα-helixtrans-60.5-41.7176.3178.1-97.7000112.6Y3 V50 V51 I52 V57 K58Y3-F54 HydrophobicContact CD1-CE1 4.39Å; Y3-F54 HydrophobicContact CD1-CZ 4.33Å; Y3-F54 HydrophobicContact CG-CE1 4.5Å; V50-F54 WeakPolarHBondContact O-CB 3.41Å; V50-F54 PolarHBondContact O-N 3.4Å; V51-F54 PolarHBondContact O-N 3.28Å; I52-F54 VanDerWaalsContact C-N 3.33Å; I52-F54 PolarHBondContact O-N 2.93Å; F54-V57 PolarHBondContact O-N 3.4Å; F54-K58 WeakPolarHBondContact O-CB 3.37Å; F54-K58 PolarHBondContact O-N 3.5Å
55L90.8Very high90.7Very high82 Ų8268.8 Ų68.843%0.42937%0.366SS..Hα-helixtrans-65-41.1175.5-69.2178000111.9A7 V51 I52 L53 K58 A59A7-L55 HydrophobicContact CB-CD1 4.33Å; V51-L55 HydrophobicContact CG1-CD1 4.33Å; V51-L55 WeakPolarHBondContact O-CG 3.48Å; V51-L55 PolarHBondContact O-N 3.34Å; I52-L55 PolarHBondContact O-N 3.38Å; I52-L55 VanDerWaalsContact O-N 3.16Å; L53-L55 VanDerWaalsContact C-N 3.35Å; L53-L55 PolarHBondContact O-N 3.03Å; L55-K58 PolarHBondContact O-N 2.9Å; L55-A59 VanDerWaalsContact O-CB 3.31Å; L55-A59 WeakPolarHBondContact O-CB 3.31Å; L55-A59 PolarHBondContact O-N 3.39Å
56V90.8Very high90.5Very high66 Ų6667.1 Ų67.140%0.436%0.361SS..Hα-helixtrans-62.7-47.2175.6169.30000110.6I52 L53 K58 A59 L60I52-V56 HydrophobicContact CG2-CG2 4.3Å; I52-V56 WeakPolarHBondContact O-CG2 3.4Å; I52-V56 PolarHBondContact O-N 2.95Å; L53-V56 PolarHBondContact O-N 3.16Å; V56-K58 VanDerWaalsContact C-N 3.3Å; V56-K58 PolarHBondContact O-N 3.31Å; V56-A59 PolarHBondContact O-N 3.21Å; V56-L60 HydrophobicContact CG1-CD1 3.64Å; V56-L60 HydrophobicContact CG1-CG 4.31Å; V56-L60 WeakPolarHBondContact O-CB 3.32Å; V56-L60 VanDerWaalsContact O-CG 3.3Å; V56-L60 WeakPolarHBondContact O-CG 3.35Å; V56-L60 PolarHBondContact O-N 2.89Å
57V88.2Confident90.4Very high46 Ų4673.5 Ų73.528%0.27938%0.378SS..Hα-helixtrans-56.1-47.1174.8179.30000110.3L53 F54 L60 T61 F111L53-V57 HydrophobicContact CG-CG2 4.42Å; L53-V57 WeakPolarHBondContact O-CG2 3.29Å; L53-V57 PolarHBondContact O-N 3Å; F54-V57 PolarHBondContact O-N 3.4Å; V57-L60 PolarHBondContact O-N 3.31Å; V57-T61 HydrophobicContact CG1-CG2 4.34Å; V57-T61 WeakPolarHBondContact O-CB 3.44Å; V57-T61 VanDerWaalsContact O-CG2 3.28Å; V57-T61 WeakPolarHBondContact O-CG2 3.27Å; V57-T61 PolarHBondContact O-N 2.86Å; V57-T61 PolarHBondContact O-OG1 2.82Å; V57-F111 HydrophobicContact CB-CE2 4.01Å; V57-F111 HydrophobicContact CG1-CE2 4.21Å; V57-F111 HydrophobicContact CG2-CD2 3.68Å; V57-F111 HydrophobicContact CG2-CE2 3.36Å
58K89.3Confident90.2Very high113 Ų11370.7 Ų70.749%0.49137%0.368SS..Hα-helixtrans-65.9-39.6-179.8-172.9174179.41690112.7F54 L55 V56 T61 Y62F54-K58 WeakPolarHBondContact O-CB 3.37Å; F54-K58 PolarHBondContact O-N 3.5Å; L55-K58 PolarHBondContact O-N 2.9Å; V56-K58 VanDerWaalsContact C-N 3.3Å; V56-K58 PolarHBondContact O-N 3.31Å; K58-T61 VanDerWaalsContact CA-OG1 3.31Å; K58-T61 WeakPolarHBondContact CA-OG1 3.44Å; K58-T61 PolarHBondContact O-OG1 3.16Å; K58-Y62 VanDerWaalsContact O-CB 3.28Å; K58-Y62 WeakPolarHBondContact O-CB 3.46Å; K58-Y62 PolarHBondContact O-N 3.27Å
59A90.8Very high89.9Confident59 Ų5973.8 Ų73.849%0.48838%0.382SS..Hα-helixtrans-66.3-45.4177.200000111.1L55 V56 Y62 A63L55-A59 VanDerWaalsContact O-CB 3.31Å; L55-A59 WeakPolarHBondContact O-CB 3.31Å; L55-A59 PolarHBondContact O-N 3.39Å; V56-A59 PolarHBondContact O-N 3.21Å; A59-Y62 PolarHBondContact O-N 3.49Å; A59-A63 WeakPolarHBondContact O-CB 3.33Å; A59-A63 PolarHBondContact O-N 3.15Å
60L91.5Very high89.9Confident58 Ų5880.1 Ų80.130%0.30440%0.395SS..Hα-helixtrans-67.7-43.4179.4-68.7170.7000111.8V56 V57 Y62 A63 F64 F111 F115V56-L60 HydrophobicContact CG1-CD1 3.64Å; V56-L60 HydrophobicContact CG1-CG 4.31Å; V56-L60 WeakPolarHBondContact O-CB 3.32Å; V56-L60 VanDerWaalsContact O-CG 3.3Å; V56-L60 WeakPolarHBondContact O-CG 3.35Å; V56-L60 PolarHBondContact O-N 2.89Å; V57-L60 PolarHBondContact O-N 3.31Å; L60-Y62 VanDerWaalsContact C-N 3.31Å; L60-Y62 PolarHBondContact O-N 2.84Å; L60-A63 PolarHBondContact O-N 3.33Å; L60-F64 HydrophobicContact CB-CD2 4.49Å; L60-F64 HydrophobicContact CD2-CE2 3.97Å; L60-F64 WeakPolarHBondContact O-CD2 3.28Å; L60-F64 PolarHBondContact O-N 3.38Å; L60-F111 HydrophobicContact CD1-CE1 4.23Å; L60-F111 HydrophobicContact CD1-CZ 3.58Å; L60-F115 HydrophobicContact CB-CE1 4.14Å; L60-F115 HydrophobicContact CB-CZ 3.69Å
61T91.4Very high89.9Confident23 Ų2378.3 Ų78.314%0.14139%0.389CS..Hα-helixtrans-61-41.1174.548.80000111.7V57 K58 F65 G66 F115 L118V57-T61 HydrophobicContact CG1-CG2 4.34Å; V57-T61 WeakPolarHBondContact O-CB 3.44Å; V57-T61 VanDerWaalsContact O-CG2 3.28Å; V57-T61 WeakPolarHBondContact O-CG2 3.27Å; V57-T61 PolarHBondContact O-N 2.86Å; V57-T61 PolarHBondContact O-OG1 2.82Å; K58-T61 VanDerWaalsContact CA-OG1 3.31Å; K58-T61 WeakPolarHBondContact CA-OG1 3.44Å; K58-T61 PolarHBondContact O-OG1 3.16Å; T61-F65 WeakPolarHBondContact O-CA 3.42Å; T61-F65 WeakPolarHBondContact O-CB 3.49Å; T61-F65 PolarHBondContact O-N 2.84Å; T61-G66 PolarHBondContact O-N 2.89Å; T61-F115 HydrophobicContact CG2-CE1 4.21Å; T61-F115 HydrophobicContact CG2-CZ 3.83Å; T61-L118 HydrophobicContact CG2-CD1 4.1Å
62Y91.4Very high89.9Confident163 Ų16377.6 Ų77.664%0.63939%0.385SS*.Hα-helixtrans-66.7-40.2174.4-176.8-104.3000112.9K58 A59 L60 G66K58-Y62 VanDerWaalsContact O-CB 3.28Å; K58-Y62 WeakPolarHBondContact O-CB 3.46Å; K58-Y62 PolarHBondContact O-N 3.27Å; A59-Y62 PolarHBondContact O-N 3.49Å; L60-Y62 VanDerWaalsContact C-N 3.31Å; L60-Y62 PolarHBondContact O-N 2.84Å; Y62-G66 WeakPolarHBondContact O-CA 3.37Å; Y62-G66 PolarHBondContact O-N 2.94Å
63A90.8Very high89.9Confident53 Ų5376.3 Ų76.344%0.43838%0.381SS..Hα-helixtrans-64.4-46.1-18000000112.4A59 L60 R139A59-A63 WeakPolarHBondContact O-CB 3.33Å; A59-A63 PolarHBondContact O-N 3.15Å; L60-A63 PolarHBondContact O-N 3.33Å; A63-R139 PolarHBondContact O-NE 2.9Å
64F91.2Very high90.1Very high22 Ų2277 Ų7710%0.09639%0.385CS..Hα-helixtrans-87-41.7-176.5-66.9-67000113.7L60 F115 R139 M142 L143 L146L60-F64 HydrophobicContact CB-CD2 4.49Å; L60-F64 HydrophobicContact CD2-CE2 3.97Å; L60-F64 WeakPolarHBondContact O-CD2 3.28Å; L60-F64 PolarHBondContact O-N 3.38Å; F64-F115 HydrophobicContact CD2-CE1 4.31Å; F64-R139 WeakPolarHBondContact O-CB 3.25Å; F64-R139 WeakPolarHBondContact O-CD 3.42Å; F64-M142 HydrophobicContact CE1-CE 3.95Å; F64-M142 HydrophobicContact CE1-CG 4Å; F64-M142 HydrophobicContact CE1-SD 3.8Å; F64-M142 HydrophobicContact CZ-CE 4.26Å; F64-L143 HydrophobicContact CB-CD2 4.13Å; F64-L143 HydrophobicContact CD1-CB 3.86Å; F64-L143 HydrophobicContact CD1-CD1 4.17Å; F64-L143 HydrophobicContact CD1-CG 4.48Å; F64-L143 HydrophobicContact CD2-CD1 4.01Å; F64-L143 HydrophobicContact CE1-CB 4.35Å; F64-L143 HydrophobicContact CE1-CD1 4.41Å; F64-L143 HydrophobicContact CE2-CD1 4.26Å; F64-L143 HydrophobicContact CG-CB 4.28Å; F64-L143 HydrophobicContact CG-CD1 3.99Å; F64-L143 HydrophobicContact CG-CD2 4.43Å; F64-L143 HydrophobicContact CG-CG 4.46Å; F64-L143 HydrophobicContact CZ-CD1 4.48Å; F64-L146 HydrophobicContact CE1-CD2 4.41Å; F64-L146 HydrophobicContact CE2-CD2 3.99Å; F64-L146 HydrophobicContact CZ-CD2 3.55Å
65F88.8Confident90.1Very high7 Ų773.7 Ų73.73%0.03137%0.372CS..Hα-helixtrans-102.4-21.1-174.6-60.8-89.4000113T61 R67 L68 F115 L118 I119 R122 L143T61-F65 WeakPolarHBondContact O-CA 3.42Å; T61-F65 WeakPolarHBondContact O-CB 3.49Å; T61-F65 PolarHBondContact O-N 2.84Å; F65-R67 PolarHBondContact O-N 2.95Å; F65-L68 HydrophobicContact CB-CD1 3.84Å; F65-L68 HydrophobicContact CD1-CD1 4.42Å; F65-L68 HydrophobicContact CG-CD1 4.02Å; F65-F115 AromaticContact CE2-CD1 3.9Å; F65-F115 HydrophobicContact CE2-CD1 3.9Å; F65-F115 HydrophobicContact CE2-CE1 4.07Å; F65-L118 HydrophobicContact CD2-CD1 4.49Å; F65-L118 HydrophobicContact CE1-CB 3.83Å; F65-L118 HydrophobicContact CE2-CB 3.95Å; F65-L118 HydrophobicContact CE2-CD1 4.04Å; F65-L118 HydrophobicContact CZ-CB 3.39Å; F65-L118 HydrophobicContact CZ-CD1 4.35Å; F65-L118 HydrophobicContact CZ-CG 4.5Å; F65-I119 HydrophobicContact CE1-CD1 4.45Å; F65-R122 HydrophobicContact CD1-CB 4.3Å; F65-R122 HydrophobicContact CD1-CG 4.15Å; F65-R122 HydrophobicContact CE1-CB 4Å; F65-R122 HydrophobicContact CE1-CG 4.26Å; F65-L143 HydrophobicContact CE1-CD2 4.13Å; F65-L143 HydrophobicContact CE2-CD2 3.59Å; F65-L143 HydrophobicContact CZ-CD2 3.29Å
66G87.2Confident90.2Very high14 Ų1471.6 Ų71.614%0.14436%0.361CS..SBendtrans72.1-115.7-17200000111.3T61 Y62 L68T61-G66 PolarHBondContact O-N 2.89Å; Y62-G66 WeakPolarHBondContact O-CA 3.37Å; Y62-G66 PolarHBondContact O-N 2.94Å; G66-L68 PolarHBondContact O-N 3.5Å
67R88.2Confident90.2Very high235 Ų23571.9 Ų71.989%0.88736%0.362SS*.SBendtrans-85.9107.8175.4-74.8-175.5165.5167.5-2.6109.5F65F65-R67 PolarHBondContact O-N 2.95Å
68L88.2Confident90.3Very high56 Ų5671.9 Ų71.929%0.29337%0.365SS..  trans-70.7128.9174.7-150.570.3000110.1F65 G66 E72 V73 L118F65-L68 HydrophobicContact CB-CD1 3.84Å; F65-L68 HydrophobicContact CD1-CD1 4.42Å; F65-L68 HydrophobicContact CG-CD1 4.02Å; G66-L68 PolarHBondContact O-N 3.5Å; L68-E72 WeakPolarHBondContact CA-OE2 3.37Å; L68-E72 HydrophobicContact CD1-CB 4.36Å; L68-E72 VanDerWaalsContact CD1-OE2 3.24Å; L68-E72 WeakPolarHBondContact CD1-OE2 3.39Å; L68-E72 HydrophobicContact CG-CB 4.18Å; L68-E72 WeakPolarHBondContact CG-OE2 3.05Å; L68-V73 HydrophobicContact CD2-CG2 3.65Å; L68-V73 HydrophobicContact CG-CG2 4.14Å; L68-L118 HydrophobicContact CD1-CD2 4.05Å; L68-L118 HydrophobicContact CD2-CD2 4.27Å
69Q87.9Confident90.4Very high84 Ų8468.5 Ų68.539%0.39335%0.351SS..  trans-76.4151.6180-170.7174.7-1.800110.5A71 E72 V73 Y125Q69-A71 VanDerWaalsContact C-N 3.28Å; Q69-A71 HydrophobicContact CG-CB 4.44Å; Q69-A71 PolarHBondContact O-N 3.39Å; Q69-E72 HydrophobicContact CB-CG 4.13Å; Q69-E72 PolarHBondContact N-OE2 3.3Å; Q69-E72 WeakPolarHBondContact O-CB 3.28Å; Q69-E72 PolarHBondContact O-N 2.99Å; Q69-E72 VanDerWaalsContact O-N 3.16Å; Q69-V73 PolarHBondContact O-N 3.16Å; Q69-Y125 VanDerWaalsContact OE1-CE2 3.3Å
70R91Very high90.3Very high212 Ų21268.2 Ų68.280%0.835%0.345SS*.Hα-helixtrans-56.3-41.9177.2-63.5-179.7-172.9168.81.9112.3E72 V73 D74R70-E72 VanDerWaalsContact C-N 3.35Å; R70-E72 PolarHBondContact O-N 2.84Å; R70-V73 WeakPolarHBondContact O-CB 3.41Å; R70-V73 PolarHBondContact O-N 3.07Å; R70-V73 VanDerWaalsContact O-N 3.16Å; R70-D74 PolarHBondContact O-N 3.26Å
71A89Confident90.1Very high53 Ų5372.6 Ų72.644%0.43836%0.358SS..Hα-helixtrans-60.5-40.8177.600000113.1Q69 V73 D74 N75Q69-A71 VanDerWaalsContact C-N 3.28Å; Q69-A71 HydrophobicContact CG-CB 4.44Å; Q69-A71 PolarHBondContact O-N 3.39Å; A71-V73 VanDerWaalsContact C-N 3.33Å; A71-V73 PolarHBondContact O-N 3.48Å; A71-D74 PolarHBondContact O-N 3.18Å; A71-N75 WeakPolarHBondContact O-CB 3.31Å; A71-N75 PolarHBondContact O-N 3.08Å
72E91.5Very high90.1Very high5 Ų576.1 Ų76.12%0.02337%0.369CS..Hα-helixtrans-63-41.5176.3-64167.2157.500110.4L68 Q69 R70 L76 L118 E121 R122L68-E72 WeakPolarHBondContact CA-OE2 3.37Å; L68-E72 HydrophobicContact CD1-CB 4.36Å; L68-E72 VanDerWaalsContact CD1-OE2 3.24Å; L68-E72 WeakPolarHBondContact CD1-OE2 3.39Å; L68-E72 HydrophobicContact CG-CB 4.18Å; L68-E72 WeakPolarHBondContact CG-OE2 3.05Å; Q69-E72 HydrophobicContact CB-CG 4.13Å; Q69-E72 PolarHBondContact N-OE2 3.3Å; Q69-E72 WeakPolarHBondContact O-CB 3.28Å; Q69-E72 PolarHBondContact O-N 2.99Å; Q69-E72 VanDerWaalsContact O-N 3.16Å; R70-E72 VanDerWaalsContact C-N 3.35Å; R70-E72 PolarHBondContact O-N 2.84Å; E72-L76 WeakPolarHBondContact O-CB 3.33Å; E72-L76 PolarHBondContact O-N 2.87Å; E72-L118 HydrophobicContact CB-CD2 4.26Å; E72-E121 HydrophobicContact CG-CB 4.47Å; E72-R122 WeakPolarHBondContact OE1-CD 3.28Å; E72-R122 IonicContact OE1-CZ 3.44Å; E72-R122 IonicContact OE1-NE 3.2Å; E72-R122 IonicContact OE1-NH1 3.7Å; E72-R122 PolarHBondContact OE1-NH1 3.32Å; E72-R122 IonicContact OE2-NH1 3.03Å
73V91.5Very high89.9Confident57 Ų5768.5 Ų68.535%0.34534%0.34SS..Hα-helixtrans-67.2-46.2177177.40000111.8L68 Q69 R70 A71 N75 L76 V77L68-V73 HydrophobicContact CD2-CG2 3.65Å; L68-V73 HydrophobicContact CG-CG2 4.14Å; Q69-V73 PolarHBondContact O-N 3.16Å; R70-V73 WeakPolarHBondContact O-CB 3.41Å; R70-V73 PolarHBondContact O-N 3.07Å; R70-V73 VanDerWaalsContact O-N 3.16Å; A71-V73 VanDerWaalsContact C-N 3.33Å; A71-V73 PolarHBondContact O-N 3.48Å; V73-N75 VanDerWaalsContact C-N 3.32Å; V73-N75 PolarHBondContact O-N 2.96Å; V73-L76 PolarHBondContact O-N 3.03Å; V73-V77 HydrophobicContact CG1-CG2 4.24Å; V73-V77 WeakPolarHBondContact O-CB 3.07Å; V73-V77 VanDerWaalsContact O-CG2 3.3Å; V73-V77 WeakPolarHBondContact O-CG2 3.48Å; V73-V77 PolarHBondContact O-N 3.23Å
74D92.6Very high89.8Confident108 Ų10871.4 Ų71.458%0.57834%0.343SS*.Hα-helixtrans-62.5-42.8-178-66.4-26.8000110.8R70 A71 V77 S78R70-D74 PolarHBondContact O-N 3.26Å; A71-D74 PolarHBondContact O-N 3.18Å; D74-V77 PolarHBondContact O-N 3.44Å; D74-S78 PolarHBondContact O-N 2.88Å
75N90.6Very high89.7Confident31 Ų3175.2 Ų75.217%0.16636%0.359CS..Hα-helixtrans-65.3-46.1174.8-172.349.2000111.3A71 V73 V77 S78 Q79 E121A71-N75 WeakPolarHBondContact O-CB 3.31Å; A71-N75 PolarHBondContact O-N 3.08Å; V73-N75 VanDerWaalsContact C-N 3.32Å; V73-N75 PolarHBondContact O-N 2.96Å; N75-V77 VanDerWaalsContact C-N 3.33Å; N75-V77 PolarHBondContact O-N 3.03Å; N75-S78 PolarHBondContact O-N 3.25Å; N75-S78 PolarHBondContact O-OG 3.37Å; N75-Q79 PolarHBondContact ND2-NE2 2.85Å; N75-Q79 WeakPolarHBondContact O-CG 3.3Å; N75-Q79 PolarHBondContact O-N 3.47Å; N75-Q79 PolarHBondContact OD1-NE2 3.24Å; N75-Q79 VanDerWaalsContact OD1-NE2 3.17Å; N75-E121 WeakPolarHBondContact ND2-CG 3.5Å; N75-E121 PolarHBondContact ND2-OE1 2.97Å
76L92Very high89.6Confident39 Ų3975.5 Ų75.520%0.20436%0.361CS..Hα-helixtrans-56.8-45.2176.2176.262.7000111.9E72 V73 Q79 S80 A114 W117 L118E72-L76 WeakPolarHBondContact O-CB 3.33Å; E72-L76 PolarHBondContact O-N 2.87Å; V73-L76 PolarHBondContact O-N 3.03Å; L76-Q79 PolarHBondContact O-N 2.88Å; L76-S80 VanDerWaalsContact O-CB 3.3Å; L76-S80 WeakPolarHBondContact O-CB 3.43Å; L76-S80 PolarHBondContact O-N 3.29Å; L76-A114 HydrophobicContact CD1-CB 3.86Å; L76-W117 HydrophobicContact CD1-CE3 3.8Å; L76-W117 HydrophobicContact CD1-CZ3 4.43Å; L76-L118 HydrophobicContact CB-CD2 4.42Å; L76-L118 HydrophobicContact CD2-CD1 4.37Å; L76-L118 HydrophobicContact CD2-CD2 4.13Å; L76-L118 HydrophobicContact CD2-CG 4.35Å
77V91.4Very high89.5Confident71 Ų7175.1 Ų75.143%0.4336%0.356SS..Hα-helixtrans-62.6-46.4177.6170.30000110.3V73 D74 N75 Q79 S80 W81V73-V77 HydrophobicContact CG1-CG2 4.24Å; V73-V77 WeakPolarHBondContact O-CB 3.07Å; V73-V77 VanDerWaalsContact O-CG2 3.3Å; V73-V77 WeakPolarHBondContact O-CG2 3.48Å; V73-V77 PolarHBondContact O-N 3.23Å; D74-V77 PolarHBondContact O-N 3.44Å; N75-V77 VanDerWaalsContact C-N 3.33Å; N75-V77 PolarHBondContact O-N 3.03Å; V77-Q79 VanDerWaalsContact C-N 3.3Å; V77-Q79 PolarHBondContact O-N 3Å; V77-S80 WeakPolarHBondContact CA-OG 3.41Å; V77-S80 PolarHBondContact O-N 3.45Å; V77-S80 PolarHBondContact O-OG 2.84Å; V77-W81 VanDerWaalsContact O-CD1 3.25Å; V77-W81 PolarHBondContact O-N 3.41Å
78S90.8Very high89.5Confident47 Ų4766.5 Ų66.533%0.32933%0.331SS..Hα-helixtrans-59.5-41.6178.579.30000112.3D74 N75 Y82D74-S78 PolarHBondContact O-N 2.88Å; N75-S78 PolarHBondContact O-N 3.25Å; N75-S78 PolarHBondContact O-OG 3.37Å; S78-Y82 WeakPolarHBondContact O-CD2 3.3Å; S78-Y82 WeakPolarHBondContact O-CE2 3.36Å
79Q91Very high89.5Confident42 Ų4267.9 Ų67.920%0.19634%0.338CS..Hα-helixtrans-73.2-34.9178.9-66.2-179.36.400112.1N75 L76 V77 W81 Y82 A83 W117N75-Q79 PolarHBondContact ND2-NE2 2.85Å; N75-Q79 WeakPolarHBondContact O-CG 3.3Å; N75-Q79 PolarHBondContact O-N 3.47Å; N75-Q79 PolarHBondContact OD1-NE2 3.24Å; N75-Q79 VanDerWaalsContact OD1-NE2 3.17Å; L76-Q79 PolarHBondContact O-N 2.88Å; V77-Q79 VanDerWaalsContact C-N 3.3Å; V77-Q79 PolarHBondContact O-N 3Å; Q79-W81 VanDerWaalsContact C-N 3.3Å; Q79-W81 PolarHBondContact O-N 2.89Å; Q79-Y82 WeakPolarHBondContact O-CB 3.49Å; Q79-Y82 PolarHBondContact O-N 3.09Å; Q79-Y82 VanDerWaalsContact O-N 3.08Å; Q79-A83 PolarHBondContact O-N 2.78Å; Q79-W117 VanDerWaalsContact C-CZ3 3.48Å; Q79-W117 HydrophobicContact CB-CD2 3.96Å; Q79-W117 HydrophobicContact CB-CE3 3.68Å; Q79-W117 HydrophobicContact CB-CH2 3.58Å; Q79-W117 HydrophobicContact CB-CZ2 3.88Å; Q79-W117 HydrophobicContact CB-CZ3 3.49Å; Q79-W117 VanDerWaalsContact CB-CZ3 3.49Å; Q79-W117 WeakPolarHBondContact O-CH2 3.48Å; Q79-W117 VanDerWaalsContact OE1-CB 3.27Å
80S88.3Confident89.5Confident53 Ų5364.3 Ų64.337%0.37132%0.322SS..Hα-helixtrans-60.4-38178.173.70000112.6L76 V77 Y82 A83 F84L76-S80 VanDerWaalsContact O-CB 3.3Å; L76-S80 WeakPolarHBondContact O-CB 3.43Å; L76-S80 PolarHBondContact O-N 3.29Å; V77-S80 WeakPolarHBondContact CA-OG 3.41Å; V77-S80 PolarHBondContact O-N 3.45Å; V77-S80 PolarHBondContact O-OG 2.84Å; S80-Y82 VanDerWaalsContact C-N 3.32Å; S80-Y82 PolarHBondContact O-N 3.23Å; S80-A83 PolarHBondContact O-N 3.06Å; S80-F84 WeakPolarHBondContact O-CB 3.32Å; S80-F84 PolarHBondContact O-N 3.44Å
81W88.3Confident89.3Confident150 Ų15057.2 Ų57.257%0.56830%0.297SS*.Hα-helixtrans-60.6-43.4174-79.6112.9000112V77 Q79 F84 F85V77-W81 VanDerWaalsContact O-CD1 3.25Å; V77-W81 PolarHBondContact O-N 3.41Å; Q79-W81 VanDerWaalsContact C-N 3.3Å; Q79-W81 PolarHBondContact O-N 2.89Å; W81-F84 WeakPolarHBondContact O-CB 3.34Å; W81-F84 PolarHBondContact O-N 3.41Å; W81-F85 WeakPolarHBondContact O-CD2 3.47Å; W81-F85 PolarHBondContact O-N 3.25Å
82Y89.8Confident89.2Confident96 Ų9657.8 Ų57.838%0.37630%0.302SS..Hα-helixtrans-65.1-42.5177.6-69.6-45.1000112.8S78 Q79 S80 F84 F85 D86 R245S78-Y82 WeakPolarHBondContact O-CD2 3.3Å; S78-Y82 WeakPolarHBondContact O-CE2 3.36Å; Q79-Y82 WeakPolarHBondContact O-CB 3.49Å; Q79-Y82 PolarHBondContact O-N 3.09Å; Q79-Y82 VanDerWaalsContact O-N 3.08Å; S80-Y82 VanDerWaalsContact C-N 3.32Å; S80-Y82 PolarHBondContact O-N 3.23Å; Y82-F84 VanDerWaalsContact C-N 3.34Å; Y82-F85 PolarHBondContact O-N 3.27Å; Y82-D86 VanDerWaalsContact O-CG 3.31Å; Y82-D86 PolarHBondContact O-N 3.49Å; Y82-R245 PolarHBondContact O-NH1 3.22Å
83A88.4Confident89Confident3 Ų360.3 Ų60.33%0.02531%0.313CS..Hα-helixtrans-67.2-36.4175.500000112Q79 S80 F85 D86 M87 L110 W117Q79-A83 PolarHBondContact O-N 2.78Å; S80-A83 PolarHBondContact O-N 3.06Å; A83-F85 PolarHBondContact O-N 3.49Å; A83-D86 PolarHBondContact O-N 2.93Å; A83-M87 VanDerWaalsContact O-CG 3.28Å; A83-M87 WeakPolarHBondContact O-CG 3.46Å; A83-M87 PolarHBondContact O-N 3.44Å; A83-L110 HydrophobicContact CB-CD2 3.89Å; A83-W117 HydrophobicContact CB-CH2 3.58Å; A83-W117 HydrophobicContact CB-CZ2 4.31Å; A83-W117 HydrophobicContact CB-CZ3 4.48Å
84F87.6Confident88.7Confident114 Ų11457.8 Ų57.850%0.530%0.297SS..Hα-helixtrans-56.6-48.1175.5175.3-97.7000111.7S80 W81 Y82 D86 M87 C88S80-F84 WeakPolarHBondContact O-CB 3.32Å; S80-F84 PolarHBondContact O-N 3.44Å; W81-F84 WeakPolarHBondContact O-CB 3.34Å; W81-F84 PolarHBondContact O-N 3.41Å; Y82-F84 VanDerWaalsContact C-N 3.34Å; F84-D86 PolarHBondContact O-N 3.34Å; F84-M87 PolarHBondContact O-N 2.97Å; F84-C88 PolarHBondContact O-N 3.14Å; F84-C88 PolarHBondContact O-SG 2.85Å; F84-C88 VanDerWaalsContact O-SG 3.34Å
85F88.7Confident88.4Confident102 Ų10259.1 Ų59.145%0.44730%0.3SS..Hα-helixtrans-64-40.3176.6-71.4-63.5000113W81 Y82 A83 M87 C88 L89W81-F85 WeakPolarHBondContact O-CD2 3.47Å; W81-F85 PolarHBondContact O-N 3.25Å; Y82-F85 PolarHBondContact O-N 3.27Å; A83-F85 PolarHBondContact O-N 3.49Å; F85-M87 VanDerWaalsContact C-N 3.3Å; F85-M87 PolarHBondContact O-N 2.84Å; F85-C88 WeakPolarHBondContact O-CB 3.33Å; F85-C88 PolarHBondContact O-N 3.22Å; F85-L89 PolarHBondContact O-N 2.9Å; F85-L89 VanDerWaalsContact O-N 3.11Å
86D88Confident87.9Confident13 Ų1365 Ų657%0.0733%0.331CS..Hα-helixtrans-62-40.5176.3-65.8-17.8000110.6Y82 A83 F84 L89 V90 R245Y82-D86 VanDerWaalsContact O-CG 3.31Å; Y82-D86 PolarHBondContact O-N 3.49Å; A83-D86 PolarHBondContact O-N 2.93Å; F84-D86 PolarHBondContact O-N 3.34Å; D86-L89 PolarHBondContact O-N 3.42Å; D86-V90 WeakPolarHBondContact O-CG2 3.34Å; D86-V90 PolarHBondContact O-N 3.39Å; D86-R245 WeakPolarHBondContact OD1-CD 3.44Å; D86-R245 IonicContact OD1-CZ 2.84Å; D86-R245 IonicContact OD1-NH1 3.41Å; D86-R245 PolarHBondContact OD1-NH1 2.93Å; D86-R245 IonicContact OD2-NH1 3.52Å; D86-R245 PolarHBondContact OD2-NH1 2.8Å; D86-R245 VanDerWaalsContact OD2-NH1 3.15Å
87M85.2Confident87.3Confident7 Ų765.6 Ų65.63%0.03433%0.333CS..Hα-helixtrans-65.4-39.6175-66.5-56.7113.300112.7A83 F84 F85 L89 V90 F91 F106 L110A83-M87 VanDerWaalsContact O-CG 3.28Å; A83-M87 WeakPolarHBondContact O-CG 3.46Å; A83-M87 PolarHBondContact O-N 3.44Å; F84-M87 PolarHBondContact O-N 2.97Å; F85-M87 VanDerWaalsContact C-N 3.3Å; F85-M87 PolarHBondContact O-N 2.84Å; M87-L89 VanDerWaalsContact C-N 3.26Å; M87-L89 PolarHBondContact O-N 3.21Å; M87-V90 PolarHBondContact O-N 3.37Å; M87-F91 HydrophobicContact CB-CE2 4.29Å; M87-F91 VanDerWaalsContact O-CD2 3.3Å; M87-F91 WeakPolarHBondContact O-CD2 3.46Å; M87-F91 WeakPolarHBondContact O-CG 3.5Å; M87-F91 PolarHBondContact O-N 2.99Å; M87-F106 HydrophobicContact SD-CD1 3.58Å; M87-F106 VanDerWaalsContact SD-CD1 3.58Å; M87-F106 HydrophobicContact SD-CE1 4.08Å; M87-L110 HydrophobicContact CE-CD2 4.42Å; M87-L110 HydrophobicContact CG-CD1 4.06Å; M87-L110 HydrophobicContact CG-CD2 3.65Å; M87-L110 HydrophobicContact CG-CG 4.04Å; M87-L110 HydrophobicContact SD-CD2 4.19Å; M87-L110 HydrophobicContact SD-CG 4.42Å
88C87.7Confident86.6Confident54 Ų5464.3 Ų64.337%0.36532%0.324SS..Hα-helixtrans-58.8-39.6174.1-68.90000111.8F84 F85 F91 A92F84-C88 PolarHBondContact O-N 3.14Å; F84-C88 PolarHBondContact O-SG 2.85Å; F84-C88 VanDerWaalsContact O-SG 3.34Å; F85-C88 WeakPolarHBondContact O-CB 3.33Å; F85-C88 PolarHBondContact O-N 3.22Å; C88-F91 PolarHBondContact O-N 2.91Å; C88-A92 WeakPolarHBondContact O-CB 3.3Å; C88-A92 PolarHBondContact O-N 3.43Å
89L89.2Confident86.2Confident84 Ų8463.6 Ų63.644%0.4432%0.324SS..Hα-helixtrans-67.3-40.8175.8-69174.5000112.1F85 D86 M87 F91 A92 F93 F242F85-L89 PolarHBondContact O-N 2.9Å; F85-L89 VanDerWaalsContact O-N 3.11Å; D86-L89 PolarHBondContact O-N 3.42Å; M87-L89 VanDerWaalsContact C-N 3.26Å; M87-L89 PolarHBondContact O-N 3.21Å; L89-F91 VanDerWaalsContact C-N 3.35Å; L89-A92 PolarHBondContact O-N 2.95Å; L89-F93 WeakPolarHBondContact O-CB 3.35Å; L89-F93 PolarHBondContact O-N 3.05Å; L89-F242 HydrophobicContact CB-CB 3.85Å
90V87.6Confident85.9Confident10 Ų1067.8 Ų67.86%0.06135%0.352CS..Hα-helixtrans-62-44.1174.7174.60000110.5D86 M87 F93 F94 F106 F242D86-V90 WeakPolarHBondContact O-CG2 3.34Å; D86-V90 PolarHBondContact O-N 3.39Å; M87-V90 PolarHBondContact O-N 3.37Å; V90-F93 PolarHBondContact O-N 3.44Å; V90-F94 HydrophobicContact CG1-CD2 3.68Å; V90-F94 HydrophobicContact CG1-CE2 3.95Å; V90-F94 VanDerWaalsContact O-CD2 3.25Å; V90-F94 WeakPolarHBondContact O-CD2 3.3Å; V90-F94 PolarHBondContact O-N 3.11Å; V90-F106 HydrophobicContact CG1-CE1 3.59Å; V90-F106 HydrophobicContact CG1-CE2 4.24Å; V90-F106 HydrophobicContact CG1-CZ 3.32Å; V90-F242 HydrophobicContact CG2-CB 4.07Å; V90-F242 HydrophobicContact CG2-CD2 3.63Å; V90-F242 HydrophobicContact CG2-CE2 4.26Å; V90-F242 HydrophobicContact CG2-CG 3.95Å
91F86.7Confident85.7Confident63 Ų6369.2 Ų69.228%0.27635%0.353SS..Hα-helixtrans-65-40.3177-67.4-35.5000113M87 C88 L89 F93 Q95 L98 L103 F106M87-F91 HydrophobicContact CB-CE2 4.29Å; M87-F91 VanDerWaalsContact O-CD2 3.3Å; M87-F91 WeakPolarHBondContact O-CD2 3.46Å; M87-F91 WeakPolarHBondContact O-CG 3.5Å; M87-F91 PolarHBondContact O-N 2.99Å; C88-F91 PolarHBondContact O-N 2.91Å; L89-F91 VanDerWaalsContact C-N 3.35Å; F91-F93 VanDerWaalsContact C-N 3.28Å; F91-F93 PolarHBondContact O-N 3.27Å; F91-Q95 WeakPolarHBondContact O-CA 3.15Å; F91-Q95 PolarHBondContact O-N 3.29Å; F91-Q95 VanDerWaalsContact O-N 3.14Å; F91-L98 HydrophobicContact CB-CD1 3.9Å; F91-L98 HydrophobicContact CD1-CD1 3.71Å; F91-L98 HydrophobicContact CD1-CD2 3.57Å; F91-L98 HydrophobicContact CD1-CG 4.31Å; F91-L98 HydrophobicContact CE1-CD2 3.91Å; F91-L98 HydrophobicContact CG-CD1 4.19Å; F91-L98 WeakPolarHBondContact O-CD1 3.5Å; F91-L103 HydrophobicContact CD1-CD2 4.25Å; F91-L103 HydrophobicContact CE1-CD2 3.62Å; F91-L103 HydrophobicContact CZ-CD2 3.78Å; F91-F106 HydrophobicContact CD1-CD2 4.44Å; F91-F106 HydrophobicContact CE1-CB 4.16Å; F91-F106 AromaticContact CE1-CD2 3.55Å; F91-F106 HydrophobicContact CE1-CD2 3.55Å; F91-F106 HydrophobicContact CE1-CE2 4.09Å; F91-F106 AromaticContact CE1-CG 3.86Å; F91-F106 HydrophobicContact CE1-CG 3.86Å; F91-F106 HydrophobicContact CZ-CB 4.04Å; F91-F106 HydrophobicContact CZ-CD2 4.29Å; F91-F106 HydrophobicContact CZ-CG 4.18Å
92A87.1Confident85.5Confident65 Ų6562.4 Ų62.454%0.53733%0.327SS..Hα-helixtrans-62.9-37.1175.200000111.9C88 L89C88-A92 WeakPolarHBondContact O-CB 3.3Å; C88-A92 PolarHBondContact O-N 3.43Å; L89-A92 PolarHBondContact O-N 2.95Å
93F86.9Confident85.3Confident58 Ų5861.8 Ų61.825%0.25433%0.33SS..Hα-helixtrans-72.7-43.7-179.9-171.6-91.8000112.5L89 V90 F91 M233 H237 P238 P240 F242L89-F93 WeakPolarHBondContact O-CB 3.35Å; L89-F93 PolarHBondContact O-N 3.05Å; V90-F93 PolarHBondContact O-N 3.44Å; F91-F93 VanDerWaalsContact C-N 3.28Å; F91-F93 PolarHBondContact O-N 3.27Å; F93-M233 HydrophobicContact CE1-CE 3.67Å; F93-M233 HydrophobicContact CZ-CE 4.12Å; F93-H237 HydrophobicContact CE1-CB 4.13Å; F93-H237 HydrophobicContact CZ-CB 3.68Å; F93-P238 WeakPolarHBondContact CE2-O 3.46Å; F93-P240 HydrophobicContact CE2-CB 4.45Å; F93-P240 HydrophobicContact CZ-CB 4.32Å; F93-F242 HydrophobicContact CB-CD1 4.28Å; F93-F242 HydrophobicContact CD1-CD1 4.26Å; F93-F242 AromaticContact CD1-CE1 3.97Å; F93-F242 HydrophobicContact CD1-CE1 3.97Å; F93-F242 HydrophobicContact CD2-CD1 4.38Å; F93-F242 HydrophobicContact CE1-CE1 4.16Å; F93-F242 HydrophobicContact CG-CD1 4.05Å; F93-F242 HydrophobicContact CG-CE1 4.23Å
94F85Confident85.2Confident3 Ų368.2 Ų68.21%0.01336%0.357CS..SBendtrans-98.220.4-175.7-61.8-69.9000114.4V90 N96 E97 L98 S168 V169 A172 M233 F242V90-F94 HydrophobicContact CG1-CD2 3.68Å; V90-F94 HydrophobicContact CG1-CE2 3.95Å; V90-F94 VanDerWaalsContact O-CD2 3.25Å; V90-F94 WeakPolarHBondContact O-CD2 3.3Å; V90-F94 PolarHBondContact O-N 3.11Å; F94-N96 PolarHBondContact O-N 3.37Å; F94-E97 PolarHBondContact O-N 3.47Å; F94-L98 HydrophobicContact CB-CG 4.39Å; F94-L98 WeakPolarHBondContact O-CG 3.28Å; F94-L98 PolarHBondContact O-N 2.83Å; F94-S168 WeakPolarHBondContact CD1-OG 3.16Å; F94-S168 VanDerWaalsContact CE1-OG 3.23Å; F94-S168 WeakPolarHBondContact CE1-OG 3.36Å; F94-V169 HydrophobicContact CB-CG2 3.8Å; F94-V169 HydrophobicContact CD1-CG2 3.62Å; F94-V169 HydrophobicContact CD2-CG2 4.46Å; F94-V169 HydrophobicContact CE1-CG2 4.31Å; F94-V169 HydrophobicContact CG-CG2 3.72Å; F94-A172 HydrophobicContact CE2-CB 3.79Å; F94-A172 HydrophobicContact CZ-CB 3.74Å; F94-M233 HydrophobicContact CE1-CE 4.01Å; F94-M233 HydrophobicContact CZ-CE 3.74Å; F94-F242 AromaticContact CE2-CE1 3.94Å; F94-F242 HydrophobicContact CE2-CE1 3.94Å; F94-F242 HydrophobicContact CE2-CZ 4.01Å; F94-F242 HydrophobicContact CZ-CE1 4.02Å; F94-F242 HydrophobicContact CZ-CZ 4.11Å
95Q85.5Confident85.3Confident136 Ų13663.9 Ų63.964%0.63634%0.339SS*.THydrogen-bonded Turntrans-47.1-33.9-171.961.9179.7-26.100115.4F91F91-Q95 WeakPolarHBondContact O-CA 3.15Å; F91-Q95 PolarHBondContact O-N 3.29Å; F91-Q95 VanDerWaalsContact O-N 3.14Å
96N80.9Confident85.3Confident154 Ų15459.2 Ų59.282%0.82432%0.319SS*.THydrogen-bonded Turntrans-83.3-20-178.3-61.2-31.8000113.9F94F94-N96 PolarHBondContact O-N 3.37Å
97E80.3Confident85.3Confident53 Ų5361.1 Ų61.125%0.24834%0.336CS..THydrogen-bonded Turntrans-101.8-1.5-179.9-65.7-178.8-143.800111.7F94 G99 F102 G166 S168 V169 H237F94-E97 PolarHBondContact O-N 3.47Å; E97-G99 PolarHBondContact O-N 3.34Å; E97-F102 WeakPolarHBondContact O-CD2 3.44Å; E97-F102 WeakPolarHBondContact O-CE2 3.49Å; E97-G166 VanDerWaalsContact OE2-CA 3.25Å; E97-G166 WeakPolarHBondContact OE2-CA 3.49Å; E97-S168 PolarHBondContact OE1-OG 3.19Å; E97-S168 VanDerWaalsContact OE1-OG 3.05Å; E97-S168 PolarHBondContact OE2-OG 3.47Å; E97-V169 HydrophobicContact CB-CG2 3.54Å; E97-V169 HydrophobicContact CG-CG2 4.45Å; E97-H237 IonicContact OE1-CE1 3.75Å; E97-H237 IonicContact OE1-NE2 2.76Å; E97-H237 PolarHBondContact OE1-NE2 3.35Å
98L76.4Confident85.6Confident44 Ų4462.7 Ų62.723%0.2335%0.345CS..  trans-78.584.6-178.3-72167.6000113F91 F94 F102 F106F91-L98 HydrophobicContact CB-CD1 3.9Å; F91-L98 HydrophobicContact CD1-CD1 3.71Å; F91-L98 HydrophobicContact CD1-CD2 3.57Å; F91-L98 HydrophobicContact CD1-CG 4.31Å; F91-L98 HydrophobicContact CE1-CD2 3.91Å; F91-L98 HydrophobicContact CG-CD1 4.19Å; F91-L98 WeakPolarHBondContact O-CD1 3.5Å; F94-L98 HydrophobicContact CB-CG 4.39Å; F94-L98 WeakPolarHBondContact O-CG 3.28Å; F94-L98 PolarHBondContact O-N 2.83Å; L98-F102 HydrophobicContact CD2-CB 4.37Å; L98-F106 HydrophobicContact CD2-CE2 4.2Å
99G81.6Confident85.8Confident32 Ų3260.2 Ų60.233%0.3333%0.328SS..  trans-74.7165.8161.200000113.7E97 E101 F102 L103E97-G99 PolarHBondContact O-N 3.34Å; G99-E101 PolarHBondContact O-N 3.36Å; G99-F102 PolarHBondContact O-N 2.67Å; G99-F102 VanDerWaalsContact O-N 3.08Å; G99-L103 PolarHBondContact O-N 3.23Å
100V84Confident85.9Confident130 Ų13059.3 Ų59.379%0.78832%0.323SS*.Hα-helixtrans-59.1-30.5173.2-65.80000112.8F104V100-F104 PolarHBondContact O-N 2.86Å; V100-F104 VanDerWaalsContact O-N 3.16Å
101E84.1Confident86.1Confident82 Ų8261.4 Ų61.438%0.38333%0.331SS..Hα-helixtrans-61.3-45.8173.6-177.7175.817600110.9G99 F104 L105 K161G99-E101 PolarHBondContact O-N 3.36Å; E101-F104 WeakPolarHBondContact O-CB 3.38Å; E101-F104 PolarHBondContact O-N 3.44Å; E101-L105 HydrophobicContact CG-CD1 4.31Å; E101-L105 WeakPolarHBondContact O-CG 3.49Å; E101-L105 PolarHBondContact O-N 2.89Å; E101-K161 IonicContact OE1-NZ 2.84Å; E101-K161 PolarHBondContact OE1-NZ 3.33Å
102F84.2Confident86.5Confident8 Ų858.8 Ų58.84%0.03532%0.32CS..Hα-helixtrans-68.5-41.2-179.2-65.7-71.1000112.2E97 L98 G99 F104 L105 F106 H165 V169 H170 L173E97-F102 WeakPolarHBondContact O-CD2 3.44Å; E97-F102 WeakPolarHBondContact O-CE2 3.49Å; L98-F102 HydrophobicContact CD2-CB 4.37Å; G99-F102 PolarHBondContact O-N 2.67Å; G99-F102 VanDerWaalsContact O-N 3.08Å; F102-F104 PolarHBondContact O-N 3.16Å; F102-L105 HydrophobicContact CD1-CD1 4.36Å; F102-L105 PolarHBondContact O-N 2.91Å; F102-L105 VanDerWaalsContact O-N 3.12Å; F102-F106 WeakPolarHBondContact O-CD2 3.48Å; F102-F106 PolarHBondContact O-N 2.95Å; F102-H165 WeakPolarHBondContact CE2-O 3.37Å; F102-H165 HydrophobicContact CZ-CB 4.4Å; F102-H165 VanDerWaalsContact CZ-O 3.24Å; F102-H165 WeakPolarHBondContact CZ-O 3.48Å; F102-V169 HydrophobicContact CB-CG1 4.34Å; F102-V169 HydrophobicContact CD1-CB 4.09Å; F102-V169 HydrophobicContact CD1-CG1 3.27Å; F102-V169 HydrophobicContact CE1-CB 3.89Å; F102-V169 HydrophobicContact CE1-CG1 3.58Å; F102-V169 HydrophobicContact CG-CG1 3.86Å; F102-V169 HydrophobicContact CZ-CB 4.36Å; F102-V169 HydrophobicContact CZ-CG1 4.39Å; F102-H170 AromaticContact CE1-CD2 3.86Å; F102-H170 AromaticContact CE1-CE1 3.66Å; F102-H170 AromaticContact CE1-NE2 3.52Å; F102-H170 AromaticContact CZ-CD2 3.97Å; F102-H170 AromaticContact CZ-NE2 3.55Å; F102-L173 HydrophobicContact CD1-CD1 4.08Å
103L85.9Confident86.9Confident83 Ų8357.4 Ų57.444%0.43530%0.301SS..Hα-helixtrans-57.1-40.5174.2-68.7176.4000111.8F91 G99 F106 A107F91-L103 HydrophobicContact CD1-CD2 4.25Å; F91-L103 HydrophobicContact CE1-CD2 3.62Å; F91-L103 HydrophobicContact CZ-CD2 3.78Å; G99-L103 PolarHBondContact O-N 3.23Å; L103-F106 PolarHBondContact O-N 3.27Å; L103-A107 PolarHBondContact O-N 3.5Å
104F87.5Confident87.2Confident137 Ų13755.7 Ų55.760%0.60130%0.298SS*.Hα-helixtrans-66.4-42.7175.4-177.5-106.8000112.3V100 E101 F102 F106 A107 I108V100-F104 PolarHBondContact O-N 2.86Å; V100-F104 VanDerWaalsContact O-N 3.16Å; E101-F104 WeakPolarHBondContact O-CB 3.38Å; E101-F104 PolarHBondContact O-N 3.44Å; F102-F104 PolarHBondContact O-N 3.16Å; F104-F106 PolarHBondContact O-N 3.42Å; F104-A107 PolarHBondContact O-N 3.2Å; F104-I108 HydrophobicContact CD1-CD1 3.74Å; F104-I108 HydrophobicContact CE1-CD1 3.3Å; F104-I108 HydrophobicContact CE1-CG1 4.34Å; F104-I108 HydrophobicContact CE2-CD1 4.41Å; F104-I108 HydrophobicContact CG-CD1 4.48Å; F104-I108 HydrophobicContact CZ-CD1 3.68Å; F104-I108 HydrophobicContact CZ-CG1 4.37Å; F104-I108 WeakPolarHBondContact O-CG1 3.44Å; F104-I108 PolarHBondContact O-N 2.87Å
105L88.9Confident87.7Confident23 Ų2355.9 Ų55.912%0.1230%0.299CS..Hα-helixtrans-62.7-39.3175.5-69173.2000112.5E101 F102 I108 L109 F154 L173E101-L105 HydrophobicContact CG-CD1 4.31Å; E101-L105 WeakPolarHBondContact O-CG 3.49Å; E101-L105 PolarHBondContact O-N 2.89Å; F102-L105 HydrophobicContact CD1-CD1 4.36Å; F102-L105 PolarHBondContact O-N 2.91Å; F102-L105 VanDerWaalsContact O-N 3.12Å; L105-I108 PolarHBondContact O-N 3.41Å; L105-L109 WeakPolarHBondContact O-CB 3.24Å; L105-L109 PolarHBondContact O-N 3.25Å; L105-F154 HydrophobicContact CD2-CD1 4.26Å; L105-F154 HydrophobicContact CD2-CE1 3.71Å; L105-L173 HydrophobicContact CB-CD1 4.01Å; L105-L173 HydrophobicContact CD1-CD1 4.06Å
106F88.2Confident88.2Confident5 Ų549.7 Ų49.72%0.02227%0.27CS..Hα-helixtrans-65.7-40.4174.2-83.7-68.5000112.4M87 V90 F91 L98 F102 L103 F104 I108 L109 L110 V169 L173M87-F106 HydrophobicContact SD-CD1 3.58Å; M87-F106 VanDerWaalsContact SD-CD1 3.58Å; M87-F106 HydrophobicContact SD-CE1 4.08Å; V90-F106 HydrophobicContact CG1-CE1 3.59Å; V90-F106 HydrophobicContact CG1-CE2 4.24Å; V90-F106 HydrophobicContact CG1-CZ 3.32Å; F91-F106 HydrophobicContact CD1-CD2 4.44Å; F91-F106 HydrophobicContact CE1-CB 4.16Å; F91-F106 AromaticContact CE1-CD2 3.55Å; F91-F106 HydrophobicContact CE1-CD2 3.55Å; F91-F106 HydrophobicContact CE1-CE2 4.09Å; F91-F106 AromaticContact CE1-CG 3.86Å; F91-F106 HydrophobicContact CE1-CG 3.86Å; F91-F106 HydrophobicContact CZ-CB 4.04Å; F91-F106 HydrophobicContact CZ-CD2 4.29Å; F91-F106 HydrophobicContact CZ-CG 4.18Å; L98-F106 HydrophobicContact CD2-CE2 4.2Å; F102-F106 WeakPolarHBondContact O-CD2 3.48Å; F102-F106 PolarHBondContact O-N 2.95Å; L103-F106 PolarHBondContact O-N 3.27Å; F104-F106 PolarHBondContact O-N 3.42Å; F106-I108 VanDerWaalsContact C-N 3.31Å; F106-I108 PolarHBondContact O-N 3.13Å; F106-L109 HydrophobicContact CD1-CD2 4.29Å; F106-L109 WeakPolarHBondContact O-CB 3.49Å; F106-L109 PolarHBondContact O-N 3.28Å; F106-L110 PolarHBondContact O-N 3.14Å; F106-V169 HydrophobicContact CE2-CG1 4.17Å; F106-L173 HydrophobicContact CD1-CD2 3.67Å; F106-L173 HydrophobicContact CD2-CD2 4.29Å; F106-L173 HydrophobicContact CE1-CD2 3.43Å; F106-L173 VanDerWaalsContact CE1-CD2 3.43Å; F106-L173 HydrophobicContact CE1-CG 4.24Å; F106-L173 HydrophobicContact CE2-CD1 4.47Å; F106-L173 HydrophobicContact CE2-CD2 4.09Å; F106-L173 HydrophobicContact CE2-CG 4.36Å; F106-L173 HydrophobicContact CG-CD2 4.09Å; F106-L173 HydrophobicContact CZ-CD2 3.65Å; F106-L173 HydrophobicContact CZ-CG 3.99Å
107A88.3Confident88.8Confident52 Ų5244.2 Ų44.243%0.4324%0.238SC..Hα-helixtrans-61.5-41174.900000111.6L103 F104 F111L103-A107 PolarHBondContact O-N 3.5Å; F104-A107 PolarHBondContact O-N 3.2Å; A107-F111 PolarHBondContact O-N 3.46Å; A107-F111 VanDerWaalsContact O-N 3.13Å
108I91.3Very high89.5Confident41 Ų4141.9 Ų41.921%0.2123%0.227CC..Hα-helixtrans-64.4-43.6173.1-66.5167.8000110.9F104 L105 F106 L110 F111 V112 F154F104-I108 HydrophobicContact CD1-CD1 3.74Å; F104-I108 HydrophobicContact CE1-CD1 3.3Å; F104-I108 HydrophobicContact CE1-CG1 4.34Å; F104-I108 HydrophobicContact CE2-CD1 4.41Å; F104-I108 HydrophobicContact CG-CD1 4.48Å; F104-I108 HydrophobicContact CZ-CD1 3.68Å; F104-I108 HydrophobicContact CZ-CG1 4.37Å; F104-I108 WeakPolarHBondContact O-CG1 3.44Å; F104-I108 PolarHBondContact O-N 2.87Å; L105-I108 PolarHBondContact O-N 3.41Å; F106-I108 VanDerWaalsContact C-N 3.31Å; F106-I108 PolarHBondContact O-N 3.13Å; I108-L110 PolarHBondContact O-N 3.46Å; I108-F111 WeakPolarHBondContact O-CB 3.38Å; I108-F111 PolarHBondContact O-N 3.03Å; I108-F111 VanDerWaalsContact O-N 3.14Å; I108-V112 HydrophobicContact CG2-CG2 4.05Å; I108-V112 WeakPolarHBondContact O-CG2 3.4Å; I108-V112 PolarHBondContact O-N 3.47Å; I108-F154 HydrophobicContact CD1-CZ 4.27Å; I108-F154 HydrophobicContact CG2-CE2 3.79Å; I108-F154 HydrophobicContact CG2-CZ 3.68Å
109L92.6Very high90.4Very high1 Ų139.9 Ų39.91%0.00522%0.216CC..Hα-helixtrans-58.6-46178.3177.567.1000111.6L105 F106 F111 V112 R113 L173 E176 Y177 L180L105-L109 WeakPolarHBondContact O-CB 3.24Å; L105-L109 PolarHBondContact O-N 3.25Å; F106-L109 HydrophobicContact CD1-CD2 4.29Å; F106-L109 WeakPolarHBondContact O-CB 3.49Å; F106-L109 PolarHBondContact O-N 3.28Å; L109-F111 VanDerWaalsContact C-N 3.29Å; L109-F111 PolarHBondContact O-N 3.37Å; L109-V112 PolarHBondContact O-N 3.12Å; L109-R113 WeakPolarHBondContact O-CB 3.37Å; L109-R113 PolarHBondContact O-N 3.01Å; L109-L173 HydrophobicContact CD2-CD2 4.02Å; L109-E176 HydrophobicContact CD1-CB 4.12Å; L109-E176 HydrophobicContact CD2-CB 3.82Å; L109-E176 HydrophobicContact CD2-CG 4.16Å; L109-Y177 WeakPolarHBondContact CA-OH 3.41Å; L109-Y177 HydrophobicContact CB-CE2 4.42Å; L109-Y177 HydrophobicContact CD1-CD1 3.94Å; L109-Y177 HydrophobicContact CD1-CD2 4.1Å; L109-Y177 HydrophobicContact CD1-CE1 3.67Å; L109-Y177 HydrophobicContact CD1-CE2 3.82Å; L109-Y177 HydrophobicContact CD1-CG 4.15Å; L109-Y177 PolarHBondContact N-OH 2.9Å; L109-L180 HydrophobicContact CD1-CD1 3.75Å
110L91.2Very high91Very high66 Ų6641.2 Ų41.235%0.34621%0.214SC..Hα-helixtrans-60-40.7175.9-75.1-179.2000112.1A83 M87 F106 I108 A114A83-L110 HydrophobicContact CB-CD2 3.89Å; M87-L110 HydrophobicContact CE-CD2 4.42Å; M87-L110 HydrophobicContact CG-CD1 4.06Å; M87-L110 HydrophobicContact CG-CD2 3.65Å; M87-L110 HydrophobicContact CG-CG 4.04Å; M87-L110 HydrophobicContact SD-CD2 4.19Å; M87-L110 HydrophobicContact SD-CG 4.42Å; F106-L110 PolarHBondContact O-N 3.14Å; I108-L110 PolarHBondContact O-N 3.46Å; L110-A114 PolarHBondContact O-N 2.84Å
111F92.1Very high91.4Very high53 Ų5337.3 Ų37.323%0.23219%0.187CC..Hα-helixtrans-63.5-50.1176.1175.9-96.1000111.5V57 L60 A107 I108 L109 R113 A114 F115V57-F111 HydrophobicContact CB-CE2 4.01Å; V57-F111 HydrophobicContact CG1-CE2 4.21Å; V57-F111 HydrophobicContact CG2-CD2 3.68Å; V57-F111 HydrophobicContact CG2-CE2 3.36Å; L60-F111 HydrophobicContact CD1-CE1 4.23Å; L60-F111 HydrophobicContact CD1-CZ 3.58Å; A107-F111 PolarHBondContact O-N 3.46Å; A107-F111 VanDerWaalsContact O-N 3.13Å; I108-F111 WeakPolarHBondContact O-CB 3.38Å; I108-F111 PolarHBondContact O-N 3.03Å; I108-F111 VanDerWaalsContact O-N 3.14Å; L109-F111 VanDerWaalsContact C-N 3.29Å; L109-F111 PolarHBondContact O-N 3.37Å; F111-R113 VanDerWaalsContact C-N 3.32Å; F111-R113 PolarHBondContact O-N 3.38Å; F111-A114 WeakPolarHBondContact O-CB 3.47Å; F111-A114 PolarHBondContact O-N 3.43Å; F111-F115 HydrophobicContact CD1-CD2 4.5Å; F111-F115 HydrophobicContact CD2-CE2 4.17Å; F111-F115 HydrophobicContact CE1-CD2 4.06Å; F111-F115 AromaticContact CE1-CE2 3.83Å; F111-F115 HydrophobicContact CE1-CE2 3.83Å; F111-F115 HydrophobicContact CE2-CD2 4.19Å; F111-F115 AromaticContact CE2-CE2 3.41Å; F111-F115 HydrophobicContact CE2-CE2 3.41Å; F111-F115 VanDerWaalsContact CE2-CE2 3.41Å; F111-F115 HydrophobicContact CE2-CZ 4.27Å; F111-F115 AromaticContact CZ-CD2 3.89Å; F111-F115 HydrophobicContact CZ-CD2 3.89Å; F111-F115 AromaticContact CZ-CE2 3.19Å; F111-F115 HydrophobicContact CZ-CE2 3.19Å; F111-F115 AromaticContact CZ-CZ 3.9Å; F111-F115 HydrophobicContact CZ-CZ 3.9Å; F111-F115 WeakPolarHBondContact O-CD2 3.2Å; F111-F115 PolarHBondContact O-N 3.45Å
112V94.3Very high91.8Very high8 Ų835.4 Ų35.45%0.04818%0.176CC..Hα-helixtrans-62.3-40178173.70000111.2I108 L109 A114 F115 H116 L147 V150 D151 Y177 L180I108-V112 HydrophobicContact CG2-CG2 4.05Å; I108-V112 WeakPolarHBondContact O-CG2 3.4Å; I108-V112 PolarHBondContact O-N 3.47Å; L109-V112 PolarHBondContact O-N 3.12Å; V112-A114 VanDerWaalsContact C-N 3.33Å; V112-A114 PolarHBondContact O-N 2.98Å; V112-F115 PolarHBondContact O-N 3.23Å; V112-H116 PolarHBondContact O-N 2.76Å; V112-H116 VanDerWaalsContact O-N 3.08Å; V112-H116 PolarHBondContact O-ND1 3.45Å; V112-L147 HydrophobicContact CG1-CD2 4.26Å; V112-V150 HydrophobicContact CG1-CG1 4.31Å; V112-V150 HydrophobicContact CG2-CG1 3.79Å; V112-D151 WeakPolarHBondContact CG1-OD1 3.45Å; V112-Y177 HydrophobicContact CG1-CE1 4.37Å; V112-L180 HydrophobicContact CG1-CD1 4.26Å
113R95.2Very high92.3Very high36 Ų3635 Ų3514%0.13618%0.175CC..Hα-helixtrans-61.6-38.5175.9-175.1170.3-172.8149.3-2.4112.4L109 F111 F115 H116 W117 E176 L180L109-R113 WeakPolarHBondContact O-CB 3.37Å; L109-R113 PolarHBondContact O-N 3.01Å; F111-R113 VanDerWaalsContact C-N 3.32Å; F111-R113 PolarHBondContact O-N 3.38Å; R113-F115 VanDerWaalsContact C-N 3.33Å; R113-F115 PolarHBondContact O-N 3.42Å; R113-H116 WeakPolarHBondContact O-CB 3.34Å; R113-H116 PolarHBondContact O-N 3.37Å; R113-W117 HydrophobicContact CG-CD2 4.2Å; R113-W117 HydrophobicContact CG-CH2 4.25Å; R113-W117 HydrophobicContact CG-CZ2 3.81Å; R113-W117 VanDerWaalsContact NE-CZ2 3.3Å; R113-W117 PolarHBondContact O-N 2.89Å; R113-E176 IonicContact CZ-OE2 3.96Å; R113-E176 IonicContact NH1-OE2 3.07Å; R113-E176 PolarHBondContact NH1-OE2 3.33Å; R113-L180 HydrophobicContact CB-CD2 4.34Å; R113-L180 HydrophobicContact CG-CD2 4.16Å
114A93.7Very high92.5Very high22 Ų2232.7 Ų32.718%0.18216%0.163CC..Hα-helixtrans-60.7-41174.200000112.2L76 L110 F111 V112 W117 L118L76-A114 HydrophobicContact CD1-CB 3.86Å; L110-A114 PolarHBondContact O-N 2.84Å; F111-A114 WeakPolarHBondContact O-CB 3.47Å; F111-A114 PolarHBondContact O-N 3.43Å; V112-A114 VanDerWaalsContact C-N 3.33Å; V112-A114 PolarHBondContact O-N 2.98Å; A114-W117 PolarHBondContact O-N 3Å; A114-L118 WeakPolarHBondContact O-CG 3.15Å; A114-L118 PolarHBondContact O-N 3.36Å
115F95Very high92.6Very high8 Ų830.2 Ų30.24%0.03515%0.15CC..Hα-helixtrans-69.1-33.5176.3-81.6-95.9000112.8L60 T61 F64 F65 F111 V112 R113 L118 I119 L143 L147L60-F115 HydrophobicContact CB-CE1 4.14Å; L60-F115 HydrophobicContact CB-CZ 3.69Å; T61-F115 HydrophobicContact CG2-CE1 4.21Å; T61-F115 HydrophobicContact CG2-CZ 3.83Å; F64-F115 HydrophobicContact CD2-CE1 4.31Å; F65-F115 AromaticContact CE2-CD1 3.9Å; F65-F115 HydrophobicContact CE2-CD1 3.9Å; F65-F115 HydrophobicContact CE2-CE1 4.07Å; F111-F115 HydrophobicContact CD1-CD2 4.5Å; F111-F115 HydrophobicContact CD2-CE2 4.17Å; F111-F115 HydrophobicContact CE1-CD2 4.06Å; F111-F115 AromaticContact CE1-CE2 3.83Å; F111-F115 HydrophobicContact CE1-CE2 3.83Å; F111-F115 HydrophobicContact CE2-CD2 4.19Å; F111-F115 AromaticContact CE2-CE2 3.41Å; F111-F115 HydrophobicContact CE2-CE2 3.41Å; F111-F115 VanDerWaalsContact CE2-CE2 3.41Å; F111-F115 HydrophobicContact CE2-CZ 4.27Å; F111-F115 AromaticContact CZ-CD2 3.89Å; F111-F115 HydrophobicContact CZ-CD2 3.89Å; F111-F115 AromaticContact CZ-CE2 3.19Å; F111-F115 HydrophobicContact CZ-CE2 3.19Å; F111-F115 AromaticContact CZ-CZ 3.9Å; F111-F115 HydrophobicContact CZ-CZ 3.9Å; F111-F115 WeakPolarHBondContact O-CD2 3.2Å; F111-F115 PolarHBondContact O-N 3.45Å; V112-F115 PolarHBondContact O-N 3.23Å; R113-F115 VanDerWaalsContact C-N 3.33Å; R113-F115 PolarHBondContact O-N 3.42Å; F115-L118 PolarHBondContact O-N 3.25Å; F115-I119 WeakPolarHBondContact O-CG2 3.17Å; F115-I119 PolarHBondContact O-N 3.34Å; F115-L143 HydrophobicContact CD1-CD1 4.07Å; F115-L143 HydrophobicContact CD1-CD2 4.47Å; F115-L147 HydrophobicContact CB-CD1 4.32Å; F115-L147 HydrophobicContact CB-CD2 3.84Å
116H95.9Very high92.6Very high6 Ų629.4 Ų29.43%0.02815%0.146CC..Hα-helixtrans-61.2-43.7171.6-79.984.9000112.4V112 R113 I119 E120 D151 L180V112-H116 PolarHBondContact O-N 2.76Å; V112-H116 VanDerWaalsContact O-N 3.08Å; V112-H116 PolarHBondContact O-ND1 3.45Å; R113-H116 WeakPolarHBondContact O-CB 3.34Å; R113-H116 PolarHBondContact O-N 3.37Å; H116-I119 WeakPolarHBondContact O-CG2 3.3Å; H116-E120 PolarHBondContact O-N 3.44Å; H116-D151 IonicContact CE1-OD1 3.74Å; H116-D151 PolarHBondContact CE1-OD1 3.08Å; H116-D151 IonicContact CE1-OD2 2.86Å; H116-D151 PolarHBondContact CE1-OD2 3.44Å; H116-D151 IonicContact NE2-OD2 3.82Å; H116-D151 PolarHBondContact NE2-OD2 2.92Å; H116-L180 HydrophobicContact CB-CD2 4.07Å
117W94.5Very high92.4Very high39 Ų3932.5 Ų32.515%0.14816%0.16CC..Hα-helixtrans-66-39.8175.6-64.2-29.2000112.7L76 Q79 A83 R113 A114 E120 E121L76-W117 HydrophobicContact CD1-CE3 3.8Å; L76-W117 HydrophobicContact CD1-CZ3 4.43Å; Q79-W117 VanDerWaalsContact C-CZ3 3.48Å; Q79-W117 HydrophobicContact CB-CD2 3.96Å; Q79-W117 HydrophobicContact CB-CE3 3.68Å; Q79-W117 HydrophobicContact CB-CH2 3.58Å; Q79-W117 HydrophobicContact CB-CZ2 3.88Å; Q79-W117 HydrophobicContact CB-CZ3 3.49Å; Q79-W117 VanDerWaalsContact CB-CZ3 3.49Å; Q79-W117 WeakPolarHBondContact O-CH2 3.48Å; Q79-W117 VanDerWaalsContact OE1-CB 3.27Å; A83-W117 HydrophobicContact CB-CH2 3.58Å; A83-W117 HydrophobicContact CB-CZ2 4.31Å; A83-W117 HydrophobicContact CB-CZ3 4.48Å; R113-W117 HydrophobicContact CG-CD2 4.2Å; R113-W117 HydrophobicContact CG-CH2 4.25Å; R113-W117 HydrophobicContact CG-CZ2 3.81Å; R113-W117 VanDerWaalsContact NE-CZ2 3.3Å; R113-W117 PolarHBondContact O-N 2.89Å; A114-W117 PolarHBondContact O-N 3Å; W117-E120 PolarHBondContact O-N 3.19Å; W117-E121 PolarHBondContact O-N 3.02Å; W117-E121 VanDerWaalsContact O-N 3.15Å
118L94.6Very high92.2Very high4 Ų438.4 Ų38.42%0.02117%0.171CC..Hα-helixtrans-65.8-40.1177.8-73.3177.2000112.7T61 F65 L68 E72 L76 A114 F115 R122T61-L118 HydrophobicContact CG2-CD1 4.1Å; F65-L118 HydrophobicContact CD2-CD1 4.49Å; F65-L118 HydrophobicContact CE1-CB 3.83Å; F65-L118 HydrophobicContact CE2-CB 3.95Å; F65-L118 HydrophobicContact CE2-CD1 4.04Å; F65-L118 HydrophobicContact CZ-CB 3.39Å; F65-L118 HydrophobicContact CZ-CD1 4.35Å; F65-L118 HydrophobicContact CZ-CG 4.5Å; L68-L118 HydrophobicContact CD1-CD2 4.05Å; L68-L118 HydrophobicContact CD2-CD2 4.27Å; E72-L118 HydrophobicContact CB-CD2 4.26Å; L76-L118 HydrophobicContact CB-CD2 4.42Å; L76-L118 HydrophobicContact CD2-CD1 4.37Å; L76-L118 HydrophobicContact CD2-CD2 4.13Å; L76-L118 HydrophobicContact CD2-CG 4.35Å; A114-L118 WeakPolarHBondContact O-CG 3.15Å; A114-L118 PolarHBondContact O-N 3.36Å; F115-L118 PolarHBondContact O-N 3.25Å; L118-R122 WeakPolarHBondContact O-CB 3.08Å; L118-R122 PolarHBondContact O-N 3.25Å
119I94.7Very high91.9Very high1 Ų137.3 Ų37.31%0.00517%0.167CC..Hα-helixtrans-70.2-35.9178.9-165.558.9000111.9F65 F115 H116 R122 V123 T140 L143 I144 L147 L184 T187F65-I119 HydrophobicContact CE1-CD1 4.45Å; F115-I119 WeakPolarHBondContact O-CG2 3.17Å; F115-I119 PolarHBondContact O-N 3.34Å; H116-I119 WeakPolarHBondContact O-CG2 3.3Å; I119-R122 PolarHBondContact O-N 2.93Å; I119-V123 WeakPolarHBondContact O-CG2 3.35Å; I119-V123 PolarHBondContact O-N 3.11Å; I119-T140 HydrophobicContact CD1-CG2 3.77Å; I119-L143 HydrophobicContact CB-CD2 4.21Å; I119-L143 HydrophobicContact CD1-CD2 3.93Å; I119-L143 HydrophobicContact CG1-CD2 4.35Å; I119-I144 HydrophobicContact CG1-CG1 4.04Å; I119-L147 HydrophobicContact CG2-CD1 4.06Å; I119-L184 HydrophobicContact CG2-CD1 4.13Å; I119-T187 HydrophobicContact CG1-CG2 4.45Å; I119-T187 HydrophobicContact CG2-CG2 4.39Å
120E94.4Very high91Very high61 Ų6143.5 Ų43.529%0.28521%0.207SC..Hα-helixtrans-59-51.9173.5-175.3174-178.500111H116 W117 R122 V123 D124H116-E120 PolarHBondContact O-N 3.44Å; W117-E120 PolarHBondContact O-N 3.19Å; E120-R122 VanDerWaalsContact C-N 3.29Å; E120-R122 PolarHBondContact O-N 3.38Å; E120-V123 PolarHBondContact O-N 2.89Å; E120-D124 PolarHBondContact O-N 3.18Å
121E93Very high90.4Very high48 Ų4845.8 Ų45.822%0.22422%0.224CC..Hα-helixtrans-61.1-36.9176.5-72.9-64146.700112.6E72 N75 W117 D124 Y125E72-E121 HydrophobicContact CG-CB 4.47Å; N75-E121 WeakPolarHBondContact ND2-CG 3.5Å; N75-E121 PolarHBondContact ND2-OE1 2.97Å; W117-E121 PolarHBondContact O-N 3.02Å; W117-E121 VanDerWaalsContact O-N 3.15Å; E121-D124 PolarHBondContact O-N 3.23Å; E121-Y125 WeakPolarHBondContact O-CB 3.34Å; E121-Y125 PolarHBondContact O-N 3Å
122R93.1Very high90Very high41 Ų4145.6 Ų45.616%0.15523%0.225CC..Hα-helixtrans-68.3-38.7-179.8-166.166171.5-172.65112.5F65 E72 L118 I119 E120 Y125 M126 F136F65-R122 HydrophobicContact CD1-CB 4.3Å; F65-R122 HydrophobicContact CD1-CG 4.15Å; F65-R122 HydrophobicContact CE1-CB 4Å; F65-R122 HydrophobicContact CE1-CG 4.26Å; E72-R122 WeakPolarHBondContact OE1-CD 3.28Å; E72-R122 IonicContact OE1-CZ 3.44Å; E72-R122 IonicContact OE1-NE 3.2Å; E72-R122 IonicContact OE1-NH1 3.7Å; E72-R122 PolarHBondContact OE1-NH1 3.32Å; E72-R122 IonicContact OE2-NH1 3.03Å; L118-R122 WeakPolarHBondContact O-CB 3.08Å; L118-R122 PolarHBondContact O-N 3.25Å; I119-R122 PolarHBondContact O-N 2.93Å; E120-R122 VanDerWaalsContact C-N 3.29Å; E120-R122 PolarHBondContact O-N 3.38Å; R122-Y125 PolarHBondContact O-N 2.94Å; R122-M126 PolarHBondContact O-N 2.72Å; R122-M126 VanDerWaalsContact O-N 3.13Å; R122-F136 HydrophobicContact CG-CE2 3.89Å; R122-F136 HydrophobicContact CG-CZ 4Å; R122-F136 VanDerWaalsContact NE-CE2 3.3Å
123V93.5Very high89.7Confident1 Ų148.2 Ų48.21%0.00624%0.244CC..Hα-helixtrans-69.2-39.4175.3172.30000110.5I119 E120 Y125 M126 T140 T187 R190 Y191I119-V123 WeakPolarHBondContact O-CG2 3.35Å; I119-V123 PolarHBondContact O-N 3.11Å; E120-V123 PolarHBondContact O-N 2.89Å; V123-Y125 VanDerWaalsContact C-N 3.32Å; V123-Y125 PolarHBondContact O-N 3.44Å; V123-M126 VanDerWaalsContact O-CB 3.24Å; V123-M126 WeakPolarHBondContact O-CB 3.42Å; V123-M126 PolarHBondContact O-N 2.82Å; V123-T140 HydrophobicContact CG2-CG2 4.43Å; V123-T187 HydrophobicContact CB-CG2 4.05Å; V123-T187 HydrophobicContact CG1-CG2 4.49Å; V123-T187 HydrophobicContact CG2-CG2 3.72Å; V123-R190 HydrophobicContact CG1-CB 3.89Å; V123-Y191 HydrophobicContact CG2-CD2 4.24Å
124D90.8Very high89.5Confident33 Ų3350.9 Ų50.918%0.17626%0.264CS..Hα-helixtrans-68.5-29.9174.5-801.4000112.3E120 E121 R128 R190E120-D124 PolarHBondContact O-N 3.18Å; E121-D124 PolarHBondContact O-N 3.23Å; D124-R128 PolarHBondContact O-NH1 2.73Å; D124-R190 IonicContact OD1-NH1 2.75Å; D124-R190 PolarHBondContact OD1-NH1 3Å; D124-R190 IonicContact OD2-NH1 2.95Å
125Y88.6Confident89.3Confident86 Ų8654.2 Ų54.234%0.33728%0.278SS..Hα-helixtrans-66.8-36.9171.2178.1-96.1000112Q69 E121 R122 V123 E127 R128 S129Q69-Y125 VanDerWaalsContact OE1-CE2 3.3Å; E121-Y125 WeakPolarHBondContact O-CB 3.34Å; E121-Y125 PolarHBondContact O-N 3Å; R122-Y125 PolarHBondContact O-N 2.94Å; V123-Y125 VanDerWaalsContact C-N 3.32Å; V123-Y125 PolarHBondContact O-N 3.44Å; Y125-E127 PolarHBondContact O-N 3.04Å; Y125-E127 VanDerWaalsContact O-N 3.11Å; Y125-R128 PolarHBondContact O-N 3.36Å; Y125-S129 PolarHBondContact O-N 3.05Å
126M89.3Confident89.1Confident6 Ų655.1 Ų55.13%0.0328%0.282CS..Hα-helixtrans-55.9-30.3179.3-168.8171.775.100112.5R122 V123 R128 S129 I132 F136 Y191 H194R122-M126 PolarHBondContact O-N 2.72Å; R122-M126 VanDerWaalsContact O-N 3.13Å; V123-M126 VanDerWaalsContact O-CB 3.24Å; V123-M126 WeakPolarHBondContact O-CB 3.42Å; V123-M126 PolarHBondContact O-N 2.82Å; M126-R128 VanDerWaalsContact C-N 3.28Å; M126-R128 PolarHBondContact O-N 3.46Å; M126-S129 PolarHBondContact O-OG 2.96Å; M126-I132 HydrophobicContact CG-CD1 3.41Å; M126-I132 VanDerWaalsContact CG-CD1 3.41Å; M126-I132 HydrophobicContact CG-CG1 4.04Å; M126-I132 HydrophobicContact SD-CD1 4.02Å; M126-I132 HydrophobicContact SD-CG2 4.46Å; M126-F136 HydrophobicContact CB-CE1 4.44Å; M126-F136 HydrophobicContact CB-CZ 4.18Å; M126-F136 HydrophobicContact CG-CE1 4.09Å; M126-F136 HydrophobicContact CG-CZ 4.28Å; M126-F136 HydrophobicContact SD-CD1 4.35Å; M126-F136 HydrophobicContact SD-CE1 3.48Å; M126-F136 WeakPolarHBondContact SD-CE1 3.45Å; M126-F136 HydrophobicContact SD-CZ 4.16Å; M126-Y191 HydrophobicContact CE-CD2 3.88Å; M126-Y191 HydrophobicContact CE-CE2 4.28Å; M126-Y191 HydrophobicContact SD-CD2 4.24Å; M126-Y191 HydrophobicContact SD-CE2 4.2Å; M126-H194 HydrophobicContact CE-CB 3.17Å
127E84.2Confident88.9Confident70 Ų7056.7 Ų56.733%0.32729%0.289SS..THydrogen-bonded Turntrans-65.1-30.9174.8-177.3170.1-149.400113.3Y125 H194 K207 R333Y125-E127 PolarHBondContact O-N 3.04Å; Y125-E127 VanDerWaalsContact O-N 3.11Å; E127-H194 IonicContact OE2-CE1 3.92Å; E127-K207 IonicContact OE1-NZ 3.74Å; E127-R333 IonicContact OE1-CZ 3.51Å; E127-R333 IonicContact OE1-NH1 3.61Å; E127-R333 IonicContact OE1-NH2 2.65Å; E127-R333 PolarHBondContact OE1-NH2 2.99Å
128R85.2Confident88.8Confident176 Ų17660.3 Ų60.366%0.66431%0.311SS*.THydrogen-bonded Turntrans-93.7-18.6-174.9-58.3179.8-17694.2-6.7112.6D124 Y125 M126D124-R128 PolarHBondContact O-NH1 2.73Å; Y125-R128 PolarHBondContact O-N 3.36Å; M126-R128 VanDerWaalsContact C-N 3.28Å; M126-R128 PolarHBondContact O-N 3.46Å
129S84Confident88.8Confident18 Ų1864.2 Ų64.213%0.12633%0.325CS..  trans-96.1118.9-17862.40000111.8Y125 M126 V131Y125-S129 PolarHBondContact O-N 3.05Å; M126-S129 PolarHBondContact O-OG 2.96Å; S129-V131 VanDerWaalsContact C-N 3.33Å; S129-V131 PolarHBondContact O-N 3.27Å
130P73.4Confident88.7Confident130 Ų13064.5 Ų64.584%0.84433%0.327SS*.SBendtrans-77.9-13.5-179.629-33.7000114.2
131V79.3Confident88.7Confident115 Ų11565.2 Ų65.270%0.69733%0.331SS*.  trans-114.2101.1-176.1-1700000109.7S129S129-V131 VanDerWaalsContact C-N 3.33Å; S129-V131 PolarHBondContact O-N 3.27Å
132I83.8Confident88.8Confident48 Ų4868.7 Ų68.725%0.24635%0.349CS..  trans-111.2120.2179.7-51.2164.7000108.5M126 F136 H137M126-I132 HydrophobicContact CG-CD1 3.41Å; M126-I132 VanDerWaalsContact CG-CD1 3.41Å; M126-I132 HydrophobicContact CG-CG1 4.04Å; M126-I132 HydrophobicContact SD-CD1 4.02Å; M126-I132 HydrophobicContact SD-CG2 4.46Å; I132-F136 HydrophobicContact CG2-CB 4.26Å; I132-F136 HydrophobicContact CG2-CD1 3.54Å; I132-F136 HydrophobicContact CG2-CE1 4.15Å; I132-F136 HydrophobicContact CG2-CG 4.06Å; I132-H137 VanDerWaalsContact CG2-NE2 3.27Å; I132-H137 WeakPolarHBondContact CG2-NE2 3.45Å
133S88.6Confident88.9Confident64 Ų6466.9 Ų66.945%0.44834%0.342SS..  trans-87.6156.7179.367.30000112.1L135 F136 H137S133-L135 PolarHBondContact O-N 3.47Å; S133-F136 VanDerWaalsContact O-CB 3.3Å; S133-F136 WeakPolarHBondContact O-CB 3.25Å; S133-F136 PolarHBondContact O-N 3.38Å; S133-F136 VanDerWaalsContact O-N 3.07Å; S133-F136 PolarHBondContact OG-N 3.32Å; S133-H137 PolarHBondContact O-CD2 3.42Å; S133-H137 PolarHBondContact O-N 3.19Å
134V89.2Confident89Confident91 Ų9167.2 Ų67.255%0.55234%0.344SS*.Hα-helixtrans-60.7-36.3174.6179.50000111.3F136 H137 L138V134-F136 VanDerWaalsContact C-N 3.27Å; V134-F136 PolarHBondContact O-N 2.95Å; V134-H137 PolarHBondContact O-N 3.16Å; V134-L138 HydrophobicContact CG1-CD1 4.23Å; V134-L138 HydrophobicContact CG1-CG 4.39Å; V134-L138 PolarHBondContact O-N 2.98Å
135L90.6Very high89.3Confident93 Ų9369.5 Ų69.549%0.48736%0.359SS..Hα-helixtrans-58.9-38.2174.9-169.491.4000111.9S133 R139S133-L135 PolarHBondContact O-N 3.47Å; L135-R139 WeakPolarHBondContact O-CB 3.35Å; L135-R139 WeakPolarHBondContact O-CG 3.29Å; L135-R139 PolarHBondContact O-N 2.97Å
136F90.7Very high89.7Confident26 Ų2668.9 Ų68.911%0.11436%0.362CS..Hα-helixtrans-62.7-46.7175.7174.6-79.9000111.2R122 M126 I132 S133 V134 R139 T140R122-F136 HydrophobicContact CG-CE2 3.89Å; R122-F136 HydrophobicContact CG-CZ 4Å; R122-F136 VanDerWaalsContact NE-CE2 3.3Å; M126-F136 HydrophobicContact CB-CE1 4.44Å; M126-F136 HydrophobicContact CB-CZ 4.18Å; M126-F136 HydrophobicContact CG-CE1 4.09Å; M126-F136 HydrophobicContact CG-CZ 4.28Å; M126-F136 HydrophobicContact SD-CD1 4.35Å; M126-F136 HydrophobicContact SD-CE1 3.48Å; M126-F136 WeakPolarHBondContact SD-CE1 3.45Å; M126-F136 HydrophobicContact SD-CZ 4.16Å; I132-F136 HydrophobicContact CG2-CB 4.26Å; I132-F136 HydrophobicContact CG2-CD1 3.54Å; I132-F136 HydrophobicContact CG2-CE1 4.15Å; I132-F136 HydrophobicContact CG2-CG 4.06Å; S133-F136 VanDerWaalsContact O-CB 3.3Å; S133-F136 WeakPolarHBondContact O-CB 3.25Å; S133-F136 PolarHBondContact O-N 3.38Å; S133-F136 VanDerWaalsContact O-N 3.07Å; S133-F136 PolarHBondContact OG-N 3.32Å; V134-F136 VanDerWaalsContact C-N 3.27Å; V134-F136 PolarHBondContact O-N 2.95Å; F136-R139 PolarHBondContact O-N 3.49Å; F136-T140 VanDerWaalsContact O-CB 3.32Å; F136-T140 WeakPolarHBondContact O-CB 3.21Å; F136-T140 PolarHBondContact O-N 3.44Å; F136-T140 PolarHBondContact O-OG1 2.83Å
137H91.9Very high90.1Very high40 Ų4069 Ų6919%0.18536%0.362CS..Hα-helixtrans-62.3-46.2177.6-72.3-67.1000111.6I132 S133 V134 R139 T140 M141 Y191I132-H137 VanDerWaalsContact CG2-NE2 3.27Å; I132-H137 WeakPolarHBondContact CG2-NE2 3.45Å; S133-H137 PolarHBondContact O-CD2 3.42Å; S133-H137 PolarHBondContact O-N 3.19Å; V134-H137 PolarHBondContact O-N 3.16Å; H137-R139 PolarHBondContact O-N 3.05Å; H137-T140 PolarHBondContact O-N 3.03Å; H137-M141 WeakPolarHBondContact O-CB 3.33Å; H137-M141 WeakPolarHBondContact O-CG 3.14Å; H137-M141 PolarHBondContact O-N 3.33Å; H137-Y191 AromaticContact ND1-CE2 3.77Å; H137-Y191 AromaticContact ND1-CZ 3.54Å; H137-Y191 PolarHBondContact ND1-OH 2.95Å
138L92.9Very high90.7Very high115 Ų11568.2 Ų68.260%0.60236%0.362SS*.Hα-helixtrans-59-47.2178.1-74.6174.2000112.2V134 M142V134-L138 HydrophobicContact CG1-CD1 4.23Å; V134-L138 HydrophobicContact CG1-CG 4.39Å; V134-L138 PolarHBondContact O-N 2.98Å; L138-M142 VanDerWaalsContact O-CB 3.26Å; L138-M142 WeakPolarHBondContact O-CB 3.23Å; L138-M142 PolarHBondContact O-N 3.32Å
139R94.3Very high91.3Very high86 Ų8665.3 Ų65.333%0.32536%0.359SS..Hα-helixtrans-62.9-44.7178.1-76174.8173.1178.70.2112.4A63 F64 L135 F136 H137 M142 L143A63-R139 PolarHBondContact O-NE 2.9Å; F64-R139 WeakPolarHBondContact O-CB 3.25Å; F64-R139 WeakPolarHBondContact O-CD 3.42Å; L135-R139 WeakPolarHBondContact O-CB 3.35Å; L135-R139 WeakPolarHBondContact O-CG 3.29Å; L135-R139 PolarHBondContact O-N 2.97Å; F136-R139 PolarHBondContact O-N 3.49Å; H137-R139 PolarHBondContact O-N 3.05Å; R139-M142 PolarHBondContact O-N 3.24Å; R139-L143 WeakPolarHBondContact O-CB 3.37Å; R139-L143 PolarHBondContact O-N 2.89Å
140T92.8Very high91.9Very high7 Ų766.4 Ų66.44%0.04337%0.365CS..Hα-helixtrans-63.1-46.3179.7-58.30000111I119 V123 F136 H137 L143 I144 Y191I119-T140 HydrophobicContact CD1-CG2 3.77Å; V123-T140 HydrophobicContact CG2-CG2 4.43Å; F136-T140 VanDerWaalsContact O-CB 3.32Å; F136-T140 WeakPolarHBondContact O-CB 3.21Å; F136-T140 PolarHBondContact O-N 3.44Å; F136-T140 PolarHBondContact O-OG1 2.83Å; H137-T140 PolarHBondContact O-N 3.03Å; T140-L143 PolarHBondContact O-N 3.26Å; T140-I144 HydrophobicContact CG2-CD1 4.03Å; T140-I144 WeakPolarHBondContact O-CG1 3.41Å; T140-I144 PolarHBondContact O-N 3.4Å; T140-Y191 HydrophobicContact CG2-CD2 3.6Å; T140-Y191 HydrophobicContact CG2-CE2 3.53Å; T140-Y191 HydrophobicContact CG2-CG 4.48Å
141M93.7Very high93Very high75 Ų7560.2 Ų60.237%0.36933%0.325SS..Hα-helixtrans-68.5-39178.9-68.4-47.7-130.400113.3H137 L143 I144 T145 Y191H137-M141 WeakPolarHBondContact O-CB 3.33Å; H137-M141 WeakPolarHBondContact O-CG 3.14Å; H137-M141 PolarHBondContact O-N 3.33Å; M141-L143 VanDerWaalsContact C-N 3.3Å; M141-L143 PolarHBondContact O-N 3.44Å; M141-I144 PolarHBondContact O-N 2.95Å; M141-I144 HydrophobicContact SD-CD1 4.28Å; M141-T145 WeakPolarHBondContact O-CB 3.19Å; M141-T145 PolarHBondContact O-N 3.41Å; M141-T145 PolarHBondContact O-OG1 3.44Å; M141-Y191 HydrophobicContact CE-CD1 3.69Å; M141-Y191 HydrophobicContact CE-CE1 3.09Å; M141-Y191 HydrophobicContact CG-CE1 4.17Å; M141-Y191 HydrophobicContact SD-CD1 3.77Å; M141-Y191 HydrophobicContact SD-CE1 3.27Å; M141-Y191 WeakPolarHBondContact SD-CE1 3.24Å; M141-Y191 HydrophobicContact SD-CE2 4.47Å
142M94.8Very high93.8Very high121 Ų12158.5 Ų58.560%0.59631%0.314SS*.Hα-helixtrans-60.1-43.6173.7-175.7-172.1173.500110.8F64 L138 R139 T145 L146F64-M142 HydrophobicContact CE1-CE 3.95Å; F64-M142 HydrophobicContact CE1-CG 4Å; F64-M142 HydrophobicContact CE1-SD 3.8Å; F64-M142 HydrophobicContact CZ-CE 4.26Å; L138-M142 VanDerWaalsContact O-CB 3.26Å; L138-M142 WeakPolarHBondContact O-CB 3.23Å; L138-M142 PolarHBondContact O-N 3.32Å; R139-M142 PolarHBondContact O-N 3.24Å; M142-T145 PolarHBondContact O-N 3.29Å; M142-L146 WeakPolarHBondContact O-CB 3.21Å; M142-L146 PolarHBondContact O-N 2.86Å
143L95.7Very high94.4Very high3 Ų363.1 Ų63.12%0.01633%0.33CS..Hα-helixtrans-67.8-45.5179.3-17860.2000112.5F64 F65 F115 I119 R139 T140 M141 T145 L146 L147F64-L143 HydrophobicContact CB-CD2 4.13Å; F64-L143 HydrophobicContact CD1-CB 3.86Å; F64-L143 HydrophobicContact CD1-CD1 4.17Å; F64-L143 HydrophobicContact CD1-CG 4.48Å; F64-L143 HydrophobicContact CD2-CD1 4.01Å; F64-L143 HydrophobicContact CE1-CB 4.35Å; F64-L143 HydrophobicContact CE1-CD1 4.41Å; F64-L143 HydrophobicContact CE2-CD1 4.26Å; F64-L143 HydrophobicContact CG-CB 4.28Å; F64-L143 HydrophobicContact CG-CD1 3.99Å; F64-L143 HydrophobicContact CG-CD2 4.43Å; F64-L143 HydrophobicContact CG-CG 4.46Å; F64-L143 HydrophobicContact CZ-CD1 4.48Å; F65-L143 HydrophobicContact CE1-CD2 4.13Å; F65-L143 HydrophobicContact CE2-CD2 3.59Å; F65-L143 HydrophobicContact CZ-CD2 3.29Å; F115-L143 HydrophobicContact CD1-CD1 4.07Å; F115-L143 HydrophobicContact CD1-CD2 4.47Å; I119-L143 HydrophobicContact CB-CD2 4.21Å; I119-L143 HydrophobicContact CD1-CD2 3.93Å; I119-L143 HydrophobicContact CG1-CD2 4.35Å; R139-L143 WeakPolarHBondContact O-CB 3.37Å; R139-L143 PolarHBondContact O-N 2.89Å; T140-L143 PolarHBondContact O-N 3.26Å; M141-L143 VanDerWaalsContact C-N 3.3Å; M141-L143 PolarHBondContact O-N 3.44Å; L143-T145 VanDerWaalsContact C-N 3.28Å; L143-T145 PolarHBondContact O-N 2.91Å; L143-L146 PolarHBondContact O-N 3.37Å; L143-L147 HydrophobicContact CD1-CD1 4.1Å; L143-L147 HydrophobicContact CD1-CD2 4.46Å; L143-L147 HydrophobicContact CD1-CG 3.97Å; L143-L147 HydrophobicContact CG-CD1 3.99Å; L143-L147 HydrophobicContact CG-CG 4.3Å; L143-L147 WeakPolarHBondContact O-CB 3.35Å; L143-L147 WeakPolarHBondContact O-CG 3.47Å; L143-L147 PolarHBondContact O-N 3.02Å
144I96.4Very high94.7Very high9 Ų961.5 Ų61.55%0.04632%0.315CS..Hα-helixtrans-57.6-44.5176-70.8170000110.5I119 T140 M141 T148 L184 T188 Y191I119-I144 HydrophobicContact CG1-CG1 4.04Å; T140-I144 HydrophobicContact CG2-CD1 4.03Å; T140-I144 WeakPolarHBondContact O-CG1 3.41Å; T140-I144 PolarHBondContact O-N 3.4Å; M141-I144 PolarHBondContact O-N 2.95Å; M141-I144 HydrophobicContact SD-CD1 4.28Å; I144-T148 WeakPolarHBondContact O-CB 3.41Å; I144-T148 PolarHBondContact O-N 3.36Å; I144-T148 PolarHBondContact O-OG1 3.39Å; I144-L184 HydrophobicContact CG1-CD1 4.29Å; I144-L184 HydrophobicContact CG2-CD1 4.38Å; I144-L184 HydrophobicContact CG2-CG 4.42Å; I144-T188 HydrophobicContact CG2-CG2 4.41Å; I144-T188 WeakPolarHBondContact CG2-OG1 3.25Å; I144-Y191 HydrophobicContact CD1-CG 4.48Å
145T96.5Very high94.9Very high80 Ų8059.3 Ų59.349%0.49130%0.299SS..Hα-helixtrans-64.2-45.2178.2-53.70000111.1M141 M142 L143 T148 L149M141-T145 WeakPolarHBondContact O-CB 3.19Å; M141-T145 PolarHBondContact O-N 3.41Å; M141-T145 PolarHBondContact O-OG1 3.44Å; M142-T145 PolarHBondContact O-N 3.29Å; L143-T145 VanDerWaalsContact C-N 3.28Å; L143-T145 PolarHBondContact O-N 2.91Å; T145-T148 PolarHBondContact O-N 3.36Å; T145-L149 HydrophobicContact CG2-CD1 4.32Å; T145-L149 WeakPolarHBondContact O-CG 3.24Å; T145-L149 PolarHBondContact O-N 2.74Å
146L96.6Very high95Very high74 Ų7461.1 Ų61.139%0.38730%0.304SS..Hα-helixtrans-61.3-47.9178.3-178.969.5000111.9F64 M142 L143 T148 L149 V150F64-L146 HydrophobicContact CE1-CD2 4.41Å; F64-L146 HydrophobicContact CE2-CD2 3.99Å; F64-L146 HydrophobicContact CZ-CD2 3.55Å; M142-L146 WeakPolarHBondContact O-CB 3.21Å; M142-L146 PolarHBondContact O-N 2.86Å; L143-L146 PolarHBondContact O-N 3.37Å; L146-T148 VanDerWaalsContact C-N 3.33Å; L146-T148 PolarHBondContact O-N 3.44Å; L146-L149 PolarHBondContact O-N 3.42Å; L146-V150 VanDerWaalsContact O-CG2 3.31Å; L146-V150 WeakPolarHBondContact O-CG2 3.39Å; L146-V150 PolarHBondContact O-N 2.88Å
147L97.4Very high94.9Very high9 Ų961.3 Ų61.35%0.04731%0.307CS..Hα-helixtrans-61.2-43.4178.6-70.2175000111.1V112 F115 I119 L143 L149 V150 D151 L184V112-L147 HydrophobicContact CG1-CD2 4.26Å; F115-L147 HydrophobicContact CB-CD1 4.32Å; F115-L147 HydrophobicContact CB-CD2 3.84Å; I119-L147 HydrophobicContact CG2-CD1 4.06Å; L143-L147 HydrophobicContact CD1-CD1 4.1Å; L143-L147 HydrophobicContact CD1-CD2 4.46Å; L143-L147 HydrophobicContact CD1-CG 3.97Å; L143-L147 HydrophobicContact CG-CD1 3.99Å; L143-L147 HydrophobicContact CG-CG 4.3Å; L143-L147 WeakPolarHBondContact O-CB 3.35Å; L143-L147 WeakPolarHBondContact O-CG 3.47Å; L143-L147 PolarHBondContact O-N 3.02Å; L147-L149 VanDerWaalsContact C-N 3.33Å; L147-L149 PolarHBondContact O-N 2.97Å; L147-V150 PolarHBondContact O-N 3.18Å; L147-D151 VanDerWaalsContact O-CG 3.24Å; L147-D151 PolarHBondContact O-N 3.08Å; L147-L184 HydrophobicContact CB-CD1 4.44Å; L147-L184 HydrophobicContact CB-CD2 3.72Å; L147-L184 HydrophobicContact CD1-CD1 4.21Å
148T97.1Very high94.7Very high53 Ų5360 Ų6033%0.32530%0.303SS..Hα-helixtrans-58.1-45.5175.3-54.40000111.5I144 T145 L146 D151 V152 L184I144-T148 WeakPolarHBondContact O-CB 3.41Å; I144-T148 PolarHBondContact O-N 3.36Å; I144-T148 PolarHBondContact O-OG1 3.39Å; T145-T148 PolarHBondContact O-N 3.36Å; L146-T148 VanDerWaalsContact C-N 3.33Å; L146-T148 PolarHBondContact O-N 3.44Å; T148-D151 PolarHBondContact O-N 3.11Å; T148-V152 HydrophobicContact CG2-CG2 4.43Å; T148-V152 WeakPolarHBondContact O-CB 3.4Å; T148-V152 VanDerWaalsContact O-CG2 3.24Å; T148-V152 WeakPolarHBondContact O-CG2 3.49Å; T148-V152 PolarHBondContact O-N 3.21Å; T148-L184 VanDerWaalsContact OG1-CD2 3.22Å; T148-L184 WeakPolarHBondContact OG1-CD2 2.96Å
149L97.6Very high94.4Very high114 Ų11462.8 Ų62.860%0.59731%0.307SS*.Hα-helixtrans-64.4-41.2178.5-71.1173.9000112.2T145 L146 L147 Y153T145-L149 HydrophobicContact CG2-CD1 4.32Å; T145-L149 WeakPolarHBondContact O-CG 3.24Å; T145-L149 PolarHBondContact O-N 2.74Å; L146-L149 PolarHBondContact O-N 3.42Å; L147-L149 VanDerWaalsContact C-N 3.33Å; L147-L149 PolarHBondContact O-N 2.97Å; L149-Y153 VanDerWaalsContact O-CB 3.28Å; L149-Y153 WeakPolarHBondContact O-CB 3.31Å; L149-Y153 PolarHBondContact O-N 3.43Å
150V96.8Very high94.1Very high42 Ų4267.6 Ų67.626%0.25533%0.325SS..Hα-helixtrans-63.4-48.6177.5169.40000110.6V112 L146 L147 Y153 F154V112-V150 HydrophobicContact CG1-CG1 4.31Å; V112-V150 HydrophobicContact CG2-CG1 3.79Å; L146-V150 VanDerWaalsContact O-CG2 3.31Å; L146-V150 WeakPolarHBondContact O-CG2 3.39Å; L146-V150 PolarHBondContact O-N 2.88Å; L147-V150 PolarHBondContact O-N 3.18Å; V150-Y153 WeakPolarHBondContact O-CB 3.44Å; V150-Y153 PolarHBondContact O-N 2.92Å; V150-F154 HydrophobicContact CG1-CD2 3.76Å; V150-F154 HydrophobicContact CG1-CE2 3.79Å; V150-F154 VanDerWaalsContact O-CD2 3.27Å; V150-F154 WeakPolarHBondContact O-CD2 3.27Å; V150-F154 PolarHBondContact O-N 3.5Å
151D97Very high93.4Very high0 Ų071.7 Ų71.70%034%0.342CS..Hα-helixtrans-64-45.6-179.3-63.5-23.4000111.5V112 H116 L147 T148 Y153 F154 I155 Y177 I181V112-D151 WeakPolarHBondContact CG1-OD1 3.45Å; H116-D151 IonicContact CE1-OD1 3.74Å; H116-D151 PolarHBondContact CE1-OD1 3.08Å; H116-D151 IonicContact CE1-OD2 2.86Å; H116-D151 PolarHBondContact CE1-OD2 3.44Å; H116-D151 IonicContact NE2-OD2 3.82Å; H116-D151 PolarHBondContact NE2-OD2 2.92Å; L147-D151 VanDerWaalsContact O-CG 3.24Å; L147-D151 PolarHBondContact O-N 3.08Å; T148-D151 PolarHBondContact O-N 3.11Å; D151-Y153 VanDerWaalsContact C-N 3.29Å; D151-Y153 PolarHBondContact O-N 2.82Å; D151-F154 PolarHBondContact O-N 2.86Å; D151-I155 WeakPolarHBondContact O-CB 3.42Å; D151-I155 VanDerWaalsContact O-CG1 3.24Å; D151-I155 WeakPolarHBondContact O-CG1 3.38Å; D151-I155 PolarHBondContact O-N 3.2Å; D151-Y177 HydrophobicContact CB-CD1 4.5Å; D151-I181 HydrophobicContact CB-CD1 3.65Å; D151-I181 HydrophobicContact CB-CG1 3.33Å
152V96.4Very high92.2Very high78 Ų7870.1 Ų70.147%0.47334%0.338SS..Hα-helixtrans-61.1-39.61771710000111.1T148 K156 I181T148-V152 HydrophobicContact CG2-CG2 4.43Å; T148-V152 WeakPolarHBondContact O-CB 3.4Å; T148-V152 VanDerWaalsContact O-CG2 3.24Å; T148-V152 WeakPolarHBondContact O-CG2 3.49Å; T148-V152 PolarHBondContact O-N 3.21Å; V152-K156 VanDerWaalsContact O-CB 3.27Å; V152-K156 WeakPolarHBondContact O-CB 3.47Å; V152-K156 PolarHBondContact O-N 3.44Å; V152-I181 HydrophobicContact CG2-CD1 3.79Å
153Y95.5Very high90.4Very high146 Ų14668.9 Ų68.957%0.57335%0.347SS*.Hα-helixtrans-61.9-45.6175.8172.1-95.6000112.1L149 V150 D151 K156 T157L149-Y153 VanDerWaalsContact O-CB 3.28Å; L149-Y153 WeakPolarHBondContact O-CB 3.31Å; L149-Y153 PolarHBondContact O-N 3.43Å; V150-Y153 WeakPolarHBondContact O-CB 3.44Å; V150-Y153 PolarHBondContact O-N 2.92Å; D151-Y153 VanDerWaalsContact C-N 3.29Å; D151-Y153 PolarHBondContact O-N 2.82Å; Y153-K156 PolarHBondContact O-N 3.19Å; Y153-T157 WeakPolarHBondContact O-CB 3.36Å; Y153-T157 PolarHBondContact O-N 3.15Å; Y153-T157 PolarHBondContact O-OG1 3.17Å
154F94.3Very high88.9Confident30 Ų3074 Ų7413%0.13238%0.379CS..Hα-helixtrans-70.8-37.2179.3-81.5-68.4000112.8L105 I108 V150 D151 T157 A158 Y177L105-F154 HydrophobicContact CD2-CD1 4.26Å; L105-F154 HydrophobicContact CD2-CE1 3.71Å; I108-F154 HydrophobicContact CD1-CZ 4.27Å; I108-F154 HydrophobicContact CG2-CE2 3.79Å; I108-F154 HydrophobicContact CG2-CZ 3.68Å; V150-F154 HydrophobicContact CG1-CD2 3.76Å; V150-F154 HydrophobicContact CG1-CE2 3.79Å; V150-F154 VanDerWaalsContact O-CD2 3.27Å; V150-F154 WeakPolarHBondContact O-CD2 3.27Å; V150-F154 PolarHBondContact O-N 3.5Å; D151-F154 PolarHBondContact O-N 2.86Å; F154-T157 PolarHBondContact O-N 3.09Å; F154-A158 WeakPolarHBondContact O-CB 3.33Å; F154-A158 PolarHBondContact O-N 3.03Å; F154-Y177 HydrophobicContact CB-CD1 3.94Å; F154-Y177 HydrophobicContact CB-CD2 3.6Å; F154-Y177 HydrophobicContact CB-CE1 3.89Å; F154-Y177 HydrophobicContact CB-CE2 3.55Å; F154-Y177 HydrophobicContact CB-CG 3.81Å; F154-Y177 HydrophobicContact CD1-CE2 4.15Å; F154-Y177 HydrophobicContact CD2-CD1 4.46Å; F154-Y177 AromaticContact CD2-CE1 3.73Å; F154-Y177 HydrophobicContact CD2-CE1 3.73Å; F154-Y177 HydrophobicContact CD2-CE2 4.39Å; F154-Y177 AromaticContact CD2-CZ 3.69Å; F154-Y177 HydrophobicContact CG-CD1 4.48Å; F154-Y177 HydrophobicContact CG-CD2 4.34Å; F154-Y177 AromaticContact CG-CE1 3.93Å; F154-Y177 HydrophobicContact CG-CE1 3.93Å; F154-Y177 AromaticContact CG-CE2 3.78Å; F154-Y177 HydrophobicContact CG-CE2 3.78Å; F154-Y177 AromaticContact CG-CZ 3.55Å
155I93.5Very high87.3Confident44 Ų4479.3 Ų79.323%0.22640%0.403CS..Hα-helixtrans-62.2-46.2172.8-67.9166.4000110.5D151 T157 A158 Y159 F178 I181D151-I155 WeakPolarHBondContact O-CB 3.42Å; D151-I155 VanDerWaalsContact O-CG1 3.24Å; D151-I155 WeakPolarHBondContact O-CG1 3.38Å; D151-I155 PolarHBondContact O-N 3.2Å; I155-T157 VanDerWaalsContact C-N 3.31Å; I155-T157 PolarHBondContact O-N 2.75Å; I155-A158 PolarHBondContact O-N 2.84Å; I155-Y159 PolarHBondContact O-N 3.42Å; I155-F178 HydrophobicContact CD1-CB 4.14Å; I155-F178 HydrophobicContact CD1-CD2 4.32Å; I155-I181 HydrophobicContact CD1-CD1 3.32Å; I155-I181 HydrophobicContact CD1-CG1 4.15Å
156K93Very high86.3Confident132 Ų13276.5 Ų76.557%0.57439%0.39SS*.Hα-helixtrans-58.7-45.4175.2-179-179.6177.4-178.60110.7V152 Y153 A158 Y159 W160V152-K156 VanDerWaalsContact O-CB 3.27Å; V152-K156 WeakPolarHBondContact O-CB 3.47Å; V152-K156 PolarHBondContact O-N 3.44Å; Y153-K156 PolarHBondContact O-N 3.19Å; K156-A158 PolarHBondContact O-N 2.96Å; K156-Y159 PolarHBondContact O-N 3.19Å; K156-W160 PolarHBondContact O-N 2.91Å
157T88.7Confident85.5Confident29 Ų2977.7 Ų77.718%0.17840%0.396CS..Hα-helixtrans-63.4-41.8179.3-58.50000111.7Y153 F154 I155 Y159 W160 K161Y153-T157 WeakPolarHBondContact O-CB 3.36Å; Y153-T157 PolarHBondContact O-N 3.15Å; Y153-T157 PolarHBondContact O-OG1 3.17Å; F154-T157 PolarHBondContact O-N 3.09Å; I155-T157 VanDerWaalsContact C-N 3.31Å; I155-T157 PolarHBondContact O-N 2.75Å; T157-Y159 VanDerWaalsContact C-N 3.3Å; T157-Y159 PolarHBondContact O-N 3.23Å; T157-W160 PolarHBondContact O-N 3.44Å; T157-K161 HydrophobicContact CG2-CD 3.77Å; T157-K161 HydrophobicContact CG2-CG 4.19Å; T157-K161 WeakPolarHBondContact O-CB 3.28Å; T157-K161 WeakPolarHBondContact O-CG 3.42Å; T157-K161 PolarHBondContact O-N 2.9Å; T157-K161 VanDerWaalsContact O-N 3.11Å
158A88.1Confident84.9Confident14 Ų1477.3 Ų77.312%0.11639%0.394CS..Hα-helixtrans-62.8-35.4175.100000112.4F154 I155 K156 P162F154-A158 WeakPolarHBondContact O-CB 3.33Å; F154-A158 PolarHBondContact O-N 3.03Å; I155-A158 PolarHBondContact O-N 2.84Å; K156-A158 PolarHBondContact O-N 2.96Å; A158-P162 WeakPolarHBondContact O-CD 3.5Å; A158-P162 WeakPolarHBondContact O-CG 3.32Å
159Y86.9Confident84.4Confident173 Ų17374.8 Ų74.868%0.67838%0.378SS*.Hα-helixtrans-73.1-36.4177.8-177-94.5000113.9I155 K156 T157 P162I155-Y159 PolarHBondContact O-N 3.42Å; K156-Y159 PolarHBondContact O-N 3.19Å; T157-Y159 VanDerWaalsContact C-N 3.3Å; T157-Y159 PolarHBondContact O-N 3.23Å; Y159-P162 VanDerWaalsContact C-CD 3.4Å; Y159-P162 WeakPolarHBondContact O-CD 3.5Å; Y159-P162 VanDerWaalsContact O-CG 3.25Å; Y159-P162 WeakPolarHBondContact O-CG 3.34Å
160W86.3Confident83.9Confident187 Ų18769.7 Ų69.771%0.70835%0.351SS*.Hα-helixtrans-90.7-25.1-175.2-76.1101.4000115.1K156 T157 P162K156-W160 PolarHBondContact O-N 2.91Å; T157-W160 PolarHBondContact O-N 3.44Å; W160-P162 WeakPolarHBondContact O-CD 3.27Å
161K79.1Confident83.5Confident92 Ų9270.5 Ų70.540%0.435%0.354SS..SBendtrans-78.4-3.6175.7-72.1-169.7170.8-172.20119.2E101 T157 A163E101-K161 IonicContact OE1-NZ 2.84Å; E101-K161 PolarHBondContact OE1-NZ 3.33Å; T157-K161 HydrophobicContact CG2-CD 3.77Å; T157-K161 HydrophobicContact CG2-CG 4.19Å; T157-K161 WeakPolarHBondContact O-CB 3.28Å; T157-K161 WeakPolarHBondContact O-CG 3.42Å; T157-K161 PolarHBondContact O-N 2.9Å; T157-K161 VanDerWaalsContact O-N 3.11Å; K161-A163 PolarHBondContact O-N 2.7Å
162P68Low83.2Confident42 Ų4270.8 Ų70.827%0.27336%0.356SS..THydrogen-bonded Turntrans-61.9-9.3-167.5-25.832.3000119A158 Y159 W160 T164 I167A158-P162 WeakPolarHBondContact O-CD 3.5Å; A158-P162 WeakPolarHBondContact O-CG 3.32Å; Y159-P162 VanDerWaalsContact C-CD 3.4Å; Y159-P162 WeakPolarHBondContact O-CD 3.5Å; Y159-P162 VanDerWaalsContact O-CG 3.25Å; Y159-P162 WeakPolarHBondContact O-CG 3.34Å; W160-P162 WeakPolarHBondContact O-CD 3.27Å; P162-T164 PolarHBondContact O-N 2.89Å; P162-I167 HydrophobicContact CB-CD1 4.13Å; P162-I167 HydrophobicContact CB-CG1 4.14Å
163A57.5Low82.9Confident96 Ų9667.4 Ų67.479%0.79334%0.335SS*.THydrogen-bonded Turntrans-80.6-12.1-162.300000116.1K161K161-A163 PolarHBondContact O-N 2.7Å
164T63.4Low82.7Confident111 Ų11161 Ų6168%0.68131%0.314SS*.SBendtrans-140.5-15.1-170.453.60000117.4P162P162-T164 PolarHBondContact O-N 2.89Å
165H64.5Low82.6Confident119 Ų11960.7 Ų60.755%0.55131%0.313SS*.SBendtrans-13022.1-165.5-74.880.7000116.5F102F102-H165 WeakPolarHBondContact CE2-O 3.37Å; F102-H165 HydrophobicContact CZ-CB 4.4Å; F102-H165 VanDerWaalsContact CZ-O 3.24Å; F102-H165 WeakPolarHBondContact CZ-O 3.48Å
166G73.7Confident82.6Confident21 Ų2159.7 Ų59.722%0.21631%0.308CS..  trans105.691.2177.600000112E97 S168 V169 H170E97-G166 VanDerWaalsContact OE2-CA 3.25Å; E97-G166 WeakPolarHBondContact OE2-CA 3.49Å; G166-S168 PolarHBondContact O-N 3.28Å; G166-V169 PolarHBondContact O-N 3.48Å; G166-H170 PolarHBondContact O-CD2 2.88Å; G166-H170 PolarHBondContact O-N 3.28Å
167I81.7Confident82.7Confident100 Ų10053.6 Ų53.651%0.51328%0.281SS..Hα-helixtrans-58.9-31-178-163.9151000111.9P162 L171P162-I167 HydrophobicContact CB-CD1 4.13Å; P162-I167 HydrophobicContact CB-CG1 4.14Å; I167-L171 VanDerWaalsContact O-CB 3.3Å; I167-L171 WeakPolarHBondContact O-CB 3.42Å; I167-L171 PolarHBondContact O-N 3.47Å
168S84.8Confident83Confident1 Ų156.1 Ų56.11%0.00729%0.29CS..Hα-helixtrans-70.8-43.7-173.779.90000112.5F94 E97 G166 L171 A172 H237F94-S168 WeakPolarHBondContact CD1-OG 3.16Å; F94-S168 VanDerWaalsContact CE1-OG 3.23Å; F94-S168 WeakPolarHBondContact CE1-OG 3.36Å; E97-S168 PolarHBondContact OE1-OG 3.19Å; E97-S168 VanDerWaalsContact OE1-OG 3.05Å; E97-S168 PolarHBondContact OE2-OG 3.47Å; G166-S168 PolarHBondContact O-N 3.28Å; S168-L171 PolarHBondContact O-N 3Å; S168-A172 WeakPolarHBondContact O-CB 3.19Å; S168-A172 PolarHBondContact O-N 3.46Å; S168-H237 VanDerWaalsContact CB-CD2 3.48Å; S168-H237 WeakPolarHBondContact CB-CD2 3.27Å; S168-H237 WeakPolarHBondContact CB-NE2 3.27Å; S168-H237 PolarHBondContact OG-NE2 3.46Å
169V86.1Confident83.4Confident0 Ų056.2 Ų56.20%029%0.288CS..Hα-helixtrans-69.6-42.2178.3-176.90000111.4F94 E97 F102 F106 G166 L171 A172 L173F94-V169 HydrophobicContact CB-CG2 3.8Å; F94-V169 HydrophobicContact CD1-CG2 3.62Å; F94-V169 HydrophobicContact CD2-CG2 4.46Å; F94-V169 HydrophobicContact CE1-CG2 4.31Å; F94-V169 HydrophobicContact CG-CG2 3.72Å; E97-V169 HydrophobicContact CB-CG2 3.54Å; E97-V169 HydrophobicContact CG-CG2 4.45Å; F102-V169 HydrophobicContact CB-CG1 4.34Å; F102-V169 HydrophobicContact CD1-CB 4.09Å; F102-V169 HydrophobicContact CD1-CG1 3.27Å; F102-V169 HydrophobicContact CE1-CB 3.89Å; F102-V169 HydrophobicContact CE1-CG1 3.58Å; F102-V169 HydrophobicContact CG-CG1 3.86Å; F102-V169 HydrophobicContact CZ-CB 4.36Å; F102-V169 HydrophobicContact CZ-CG1 4.39Å; F106-V169 HydrophobicContact CE2-CG1 4.17Å; G166-V169 PolarHBondContact O-N 3.48Å; V169-L171 VanDerWaalsContact C-N 3.31Å; V169-L171 PolarHBondContact O-N 3.24Å; V169-A172 PolarHBondContact O-N 3.41Å; V169-L173 HydrophobicContact CG1-CD1 4.13Å; V169-L173 PolarHBondContact O-N 2.99Å
170H87.5Confident83.8Confident7 Ų748.6 Ų48.63%0.03226%0.259CS..Hα-helixtrans-62.3-39.5176-78.5-68.2000112F102 G166 L173 G174F102-H170 AromaticContact CE1-CD2 3.86Å; F102-H170 AromaticContact CE1-CE1 3.66Å; F102-H170 AromaticContact CE1-NE2 3.52Å; F102-H170 AromaticContact CZ-CD2 3.97Å; F102-H170 AromaticContact CZ-NE2 3.55Å; G166-H170 PolarHBondContact O-CD2 2.88Å; G166-H170 PolarHBondContact O-N 3.28Å; H170-L173 PolarHBondContact O-N 3.48Å; H170-G174 PolarHBondContact O-N 3.39Å
171L88.5Confident84.3Confident59 Ų5941.6 Ų41.631%0.30924%0.235SC..Hα-helixtrans-64.3-44.6174.4-171.772.3000111.6I167 S168 V169 L173 G174 I175 F229 I232 M233 L236I167-L171 VanDerWaalsContact O-CB 3.3Å; I167-L171 WeakPolarHBondContact O-CB 3.42Å; I167-L171 PolarHBondContact O-N 3.47Å; S168-L171 PolarHBondContact O-N 3Å; V169-L171 VanDerWaalsContact C-N 3.31Å; V169-L171 PolarHBondContact O-N 3.24Å; L171-L173 PolarHBondContact O-N 3.03Å; L171-G174 PolarHBondContact O-N 3.29Å; L171-I175 PolarHBondContact O-N 2.94Å; L171-F229 HydrophobicContact CD2-CD2 4.1Å; L171-F229 HydrophobicContact CD2-CE2 3.82Å; L171-F229 HydrophobicContact CG-CD2 4.14Å; L171-F229 HydrophobicContact CG-CE2 3.77Å; L171-I232 HydrophobicContact CD2-CG2 3.6Å; L171-M233 HydrophobicContact CD2-SD 4.13Å; L171-L236 HydrophobicContact CD2-CD1 4.4Å
172A89.2Confident85.2Confident5 Ų537.8 Ų37.84%0.04122%0.219CC..Hα-helixtrans-64.5-35.6177.900000113.1F94 S168 V169 I175 E176 F229 F242F94-A172 HydrophobicContact CE2-CB 3.79Å; F94-A172 HydrophobicContact CZ-CB 3.74Å; S168-A172 WeakPolarHBondContact O-CB 3.19Å; S168-A172 PolarHBondContact O-N 3.46Å; V169-A172 PolarHBondContact O-N 3.41Å; A172-I175 VanDerWaalsContact O-CG2 3.24Å; A172-I175 WeakPolarHBondContact O-CG2 3.37Å; A172-E176 WeakPolarHBondContact O-CG 3.43Å; A172-F229 HydrophobicContact CB-CZ 4.19Å; A172-F242 HydrophobicContact CB-CZ 4.38Å
173L90.1Very high86.5Confident7 Ų736.8 Ų36.84%0.03721%0.213CC..Hα-helixtrans-71.4-44.1171.9-75.2169.5000111.5F102 L105 F106 L109 V169 H170 L171 I175 E176 Y177F102-L173 HydrophobicContact CD1-CD1 4.08Å; L105-L173 HydrophobicContact CB-CD1 4.01Å; L105-L173 HydrophobicContact CD1-CD1 4.06Å; F106-L173 HydrophobicContact CD1-CD2 3.67Å; F106-L173 HydrophobicContact CD2-CD2 4.29Å; F106-L173 HydrophobicContact CE1-CD2 3.43Å; F106-L173 VanDerWaalsContact CE1-CD2 3.43Å; F106-L173 HydrophobicContact CE1-CG 4.24Å; F106-L173 HydrophobicContact CE2-CD1 4.47Å; F106-L173 HydrophobicContact CE2-CD2 4.09Å; F106-L173 HydrophobicContact CE2-CG 4.36Å; F106-L173 HydrophobicContact CG-CD2 4.09Å; F106-L173 HydrophobicContact CZ-CD2 3.65Å; F106-L173 HydrophobicContact CZ-CG 3.99Å; L109-L173 HydrophobicContact CD2-CD2 4.02Å; V169-L173 HydrophobicContact CG1-CD1 4.13Å; V169-L173 PolarHBondContact O-N 2.99Å; H170-L173 PolarHBondContact O-N 3.48Å; L171-L173 PolarHBondContact O-N 3.03Å; L173-I175 VanDerWaalsContact C-N 3.33Å; L173-I175 PolarHBondContact O-N 3.49Å; L173-E176 PolarHBondContact O-N 2.94Å; L173-Y177 VanDerWaalsContact O-CD2 3.25Å; L173-Y177 WeakPolarHBondContact O-CD2 3.43Å; L173-Y177 PolarHBondContact O-N 3.3Å
174G92.2Very high88.4Confident12 Ų1232.3 Ų32.312%0.12418%0.176CC..Hα-helixtrans-60.7-40.2-178.500000113H170 L171 Y177 F178H170-G174 PolarHBondContact O-N 3.39Å; L171-G174 PolarHBondContact O-N 3.29Å; G174-Y177 PolarHBondContact O-N 3.15Å; G174-F178 WeakPolarHBondContact O-CB 3.25Å; G174-F178 PolarHBondContact O-N 3.37Å
175I92.5Very high89.9Confident24 Ų2431.2 Ų31.212%0.12317%0.165CC..Hα-helixtrans-67-39.2177-163.169.1000112L171 A172 L173 Y177 F178 I179 V225 F229L171-I175 PolarHBondContact O-N 2.94Å; A172-I175 VanDerWaalsContact O-CG2 3.24Å; A172-I175 WeakPolarHBondContact O-CG2 3.37Å; L173-I175 VanDerWaalsContact C-N 3.33Å; L173-I175 PolarHBondContact O-N 3.49Å; I175-Y177 PolarHBondContact O-N 3.48Å; I175-F178 WeakPolarHBondContact O-CB 3.24Å; I175-F178 PolarHBondContact O-N 3.27Å; I175-F178 VanDerWaalsContact O-N 3.17Å; I175-I179 VanDerWaalsContact O-CG1 3.23Å; I175-I179 WeakPolarHBondContact O-CG1 3.4Å; I175-I179 PolarHBondContact O-N 3.17Å; I175-V225 HydrophobicContact CD1-CG1 3.28Å; I175-V225 HydrophobicContact CG1-CG1 4.16Å; I175-F229 HydrophobicContact CB-CD1 4.47Å; I175-F229 HydrophobicContact CB-CD2 4.2Å; I175-F229 HydrophobicContact CB-CE2 4.36Å; I175-F229 HydrophobicContact CB-CG 4.28Å; I175-F229 HydrophobicContact CD1-CB 4.1Å; I175-F229 HydrophobicContact CD1-CG 4.36Å; I175-F229 HydrophobicContact CG1-CB 4.04Å; I175-F229 HydrophobicContact CG1-CD1 4.08Å; I175-F229 HydrophobicContact CG1-CD2 4.23Å; I175-F229 HydrophobicContact CG1-CG 3.86Å; I175-F229 HydrophobicContact CG2-CD1 3.94Å; I175-F229 HydrophobicContact CG2-CD2 4.14Å; I175-F229 HydrophobicContact CG2-CE1 3.66Å; I175-F229 HydrophobicContact CG2-CE2 3.9Å; I175-F229 HydrophobicContact CG2-CG 4.17Å; I175-F229 HydrophobicContact CG2-CZ 3.67Å
176E93.3Very high91.4Very high23 Ų2326.1 Ų26.111%0.10714%0.143CC..Hα-helixtrans-61.6-45.2177.5-73.1-69.8134.900110.7L109 R113 A172 L173 F178 I179 L180L109-E176 HydrophobicContact CD1-CB 4.12Å; L109-E176 HydrophobicContact CD2-CB 3.82Å; L109-E176 HydrophobicContact CD2-CG 4.16Å; R113-E176 IonicContact CZ-OE2 3.96Å; R113-E176 IonicContact NH1-OE2 3.07Å; R113-E176 PolarHBondContact NH1-OE2 3.33Å; A172-E176 WeakPolarHBondContact O-CG 3.43Å; L173-E176 PolarHBondContact O-N 2.94Å; E176-F178 VanDerWaalsContact C-N 3.34Å; E176-F178 PolarHBondContact O-N 2.83Å; E176-I179 PolarHBondContact O-N 3.38Å; E176-L180 WeakPolarHBondContact O-CG 3.3Å; E176-L180 PolarHBondContact O-N 3.01Å
177Y95Very high92.5Very high4 Ų425.3 Ų25.32%0.01613%0.134CC..Hα-helixtrans-63.9-36.9173.9-75.4-71.7000112.8L109 V112 D151 F154 L173 G174 I175 I179 L180 I181L109-Y177 WeakPolarHBondContact CA-OH 3.41Å; L109-Y177 HydrophobicContact CB-CE2 4.42Å; L109-Y177 HydrophobicContact CD1-CD1 3.94Å; L109-Y177 HydrophobicContact CD1-CD2 4.1Å; L109-Y177 HydrophobicContact CD1-CE1 3.67Å; L109-Y177 HydrophobicContact CD1-CE2 3.82Å; L109-Y177 HydrophobicContact CD1-CG 4.15Å; L109-Y177 PolarHBondContact N-OH 2.9Å; V112-Y177 HydrophobicContact CG1-CE1 4.37Å; D151-Y177 HydrophobicContact CB-CD1 4.5Å; F154-Y177 HydrophobicContact CB-CD1 3.94Å; F154-Y177 HydrophobicContact CB-CD2 3.6Å; F154-Y177 HydrophobicContact CB-CE1 3.89Å; F154-Y177 HydrophobicContact CB-CE2 3.55Å; F154-Y177 HydrophobicContact CB-CG 3.81Å; F154-Y177 HydrophobicContact CD1-CE2 4.15Å; F154-Y177 HydrophobicContact CD2-CD1 4.46Å; F154-Y177 AromaticContact CD2-CE1 3.73Å; F154-Y177 HydrophobicContact CD2-CE1 3.73Å; F154-Y177 HydrophobicContact CD2-CE2 4.39Å; F154-Y177 AromaticContact CD2-CZ 3.69Å; F154-Y177 HydrophobicContact CG-CD1 4.48Å; F154-Y177 HydrophobicContact CG-CD2 4.34Å; F154-Y177 AromaticContact CG-CE1 3.93Å; F154-Y177 HydrophobicContact CG-CE1 3.93Å; F154-Y177 AromaticContact CG-CE2 3.78Å; F154-Y177 HydrophobicContact CG-CE2 3.78Å; F154-Y177 AromaticContact CG-CZ 3.55Å; L173-Y177 VanDerWaalsContact O-CD2 3.25Å; L173-Y177 WeakPolarHBondContact O-CD2 3.43Å; L173-Y177 PolarHBondContact O-N 3.3Å; G174-Y177 PolarHBondContact O-N 3.15Å; I175-Y177 PolarHBondContact O-N 3.48Å; Y177-I179 VanDerWaalsContact C-N 3.35Å; Y177-I179 PolarHBondContact O-N 3.03Å; Y177-L180 HydrophobicContact CD1-CD1 4.17Å; Y177-L180 WeakPolarHBondContact O-CB 3.34Å; Y177-L180 PolarHBondContact O-N 2.98Å; Y177-I181 PolarHBondContact O-N 3.28Å
178F95.5Very high93.1Very high82 Ų8222 Ų2236%0.3612%0.118SC..Hα-helixtrans-63.9-40.5175.4-172.9-94.6000112.1I155 G174 I175 E176 L180 I181 L182 V225I155-F178 HydrophobicContact CD1-CB 4.14Å; I155-F178 HydrophobicContact CD1-CD2 4.32Å; G174-F178 WeakPolarHBondContact O-CB 3.25Å; G174-F178 PolarHBondContact O-N 3.37Å; I175-F178 WeakPolarHBondContact O-CB 3.24Å; I175-F178 PolarHBondContact O-N 3.27Å; I175-F178 VanDerWaalsContact O-N 3.17Å; E176-F178 VanDerWaalsContact C-N 3.34Å; E176-F178 PolarHBondContact O-N 2.83Å; F178-L180 VanDerWaalsContact C-N 3.32Å; F178-L180 PolarHBondContact O-N 2.84Å; F178-I181 PolarHBondContact O-N 3.28Å; F178-L182 HydrophobicContact CD1-CD1 4.13Å; F178-L182 HydrophobicContact CD1-CG 4.4Å; F178-L182 HydrophobicContact CE1-CD1 3.82Å; F178-L182 HydrophobicContact CE1-CD2 4.41Å; F178-L182 HydrophobicContact CE1-CG 4.12Å; F178-L182 PolarHBondContact O-N 2.95Å; F178-L182 VanDerWaalsContact O-N 3.13Å; F178-V225 HydrophobicContact CD1-CG1 3.8Å; F178-V225 HydrophobicContact CD1-CG2 4.22Å; F178-V225 HydrophobicContact CE1-CB 4.47Å; F178-V225 HydrophobicContact CE1-CG1 4.04Å; F178-V225 HydrophobicContact CE1-CG2 3.59Å
179I95.3Very high93.6Very high16 Ų1624 Ų248%0.08213%0.13CC..Hα-helixtrans-65.8-36.5175.2-62.9-74.4000111.1I175 E176 Y177 L182 S183 R222 V225 Y226I175-I179 VanDerWaalsContact O-CG1 3.23Å; I175-I179 WeakPolarHBondContact O-CG1 3.4Å; I175-I179 PolarHBondContact O-N 3.17Å; E176-I179 PolarHBondContact O-N 3.38Å; Y177-I179 VanDerWaalsContact C-N 3.35Å; Y177-I179 PolarHBondContact O-N 3.03Å; I179-L182 HydrophobicContact CD1-CD1 4.37Å; I179-L182 PolarHBondContact O-N 3.2Å; I179-S183 PolarHBondContact O-N 3.44Å; I179-R222 HydrophobicContact CD1-CG 3.87Å; I179-V225 HydrophobicContact CD1-CB 4.33Å; I179-V225 HydrophobicContact CD1-CG1 3.79Å; I179-Y226 HydrophobicContact CD1-CD1 4.35Å; I179-Y226 HydrophobicContact CD1-CD2 4.34Å; I179-Y226 HydrophobicContact CD1-CE1 3.95Å; I179-Y226 HydrophobicContact CD1-CE2 3.95Å; I179-Y226 HydrophobicContact CG1-CE1 3.98Å
180L96.4Very high94Very high13 Ų1326 Ų267%0.06814%0.138CC..Hα-helixtrans-60.7-44.8173.4-70.4175.7000111.5L109 V112 R113 H116 E176 Y177 F178 L182 S183 L184L109-L180 HydrophobicContact CD1-CD1 3.75Å; V112-L180 HydrophobicContact CG1-CD1 4.26Å; R113-L180 HydrophobicContact CB-CD2 4.34Å; R113-L180 HydrophobicContact CG-CD2 4.16Å; H116-L180 HydrophobicContact CB-CD2 4.07Å; E176-L180 WeakPolarHBondContact O-CG 3.3Å; E176-L180 PolarHBondContact O-N 3.01Å; Y177-L180 HydrophobicContact CD1-CD1 4.17Å; Y177-L180 WeakPolarHBondContact O-CB 3.34Å; Y177-L180 PolarHBondContact O-N 2.98Å; F178-L180 VanDerWaalsContact C-N 3.32Å; F178-L180 PolarHBondContact O-N 2.84Å; L180-L182 VanDerWaalsContact C-N 3.32Å; L180-L182 PolarHBondContact O-N 3.49Å; L180-S183 WeakPolarHBondContact O-CB 3.49Å; L180-S183 PolarHBondContact O-N 3.28Å; L180-S183 VanDerWaalsContact O-N 3.08Å; L180-L184 WeakPolarHBondContact O-CB 3.21Å; L180-L184 PolarHBondContact O-N 2.96Å
181I96.7Very high94.4Very high39 Ų3926.1 Ų26.120%0.214%0.138CC..Hα-helixtrans-57.7-43.8173.7-68.3-174.5000111.6D151 V152 I155 Y177 F178 S183 L184 L185D151-I181 HydrophobicContact CB-CD1 3.65Å; D151-I181 HydrophobicContact CB-CG1 3.33Å; V152-I181 HydrophobicContact CG2-CD1 3.79Å; I155-I181 HydrophobicContact CD1-CD1 3.32Å; I155-I181 HydrophobicContact CD1-CG1 4.15Å; Y177-I181 PolarHBondContact O-N 3.28Å; F178-I181 PolarHBondContact O-N 3.28Å; I181-S183 VanDerWaalsContact C-N 3.3Å; I181-S183 PolarHBondContact O-N 2.92Å; I181-L184 PolarHBondContact O-N 3.38Å; I181-L185 WeakPolarHBondContact O-CB 3.46Å; I181-L185 PolarHBondContact O-N 3.21Å
182L96.4Very high94.6Very high13 Ų1327 Ų277%0.06814%0.142CC..Hα-helixtrans-62.6-38.4177.4-67.4177.8000112F178 I179 L180 S186 I218 I221 V225F178-L182 HydrophobicContact CD1-CD1 4.13Å; F178-L182 HydrophobicContact CD1-CG 4.4Å; F178-L182 HydrophobicContact CE1-CD1 3.82Å; F178-L182 HydrophobicContact CE1-CD2 4.41Å; F178-L182 HydrophobicContact CE1-CG 4.12Å; F178-L182 PolarHBondContact O-N 2.95Å; F178-L182 VanDerWaalsContact O-N 3.13Å; I179-L182 HydrophobicContact CD1-CD1 4.37Å; I179-L182 PolarHBondContact O-N 3.2Å; L180-L182 VanDerWaalsContact C-N 3.32Å; L180-L182 PolarHBondContact O-N 3.49Å; L182-S186 PolarHBondContact O-N 3.13Å; L182-S186 VanDerWaalsContact O-N 3.15Å; L182-I218 HydrophobicContact CB-CG2 4.42Å; L182-I221 HydrophobicContact CD1-CG2 3.82Å; L182-I221 HydrophobicContact CD2-CG2 3.8Å; L182-I221 HydrophobicContact CG-CG2 4.5Å; L182-V225 HydrophobicContact CD1-CG2 4.31Å
183S95.5Very high94.8Very high21 Ų2127.6 Ų27.615%0.14715%0.145CC..Hα-helixtrans-67.2-40.8175.1-149.20000111.9I179 L180 I181 S186 T187I179-S183 PolarHBondContact O-N 3.44Å; L180-S183 WeakPolarHBondContact O-CB 3.49Å; L180-S183 PolarHBondContact O-N 3.28Å; L180-S183 VanDerWaalsContact O-N 3.08Å; I181-S183 VanDerWaalsContact C-N 3.3Å; I181-S183 PolarHBondContact O-N 2.92Å; S183-S186 WeakPolarHBondContact O-CB 3.24Å; S183-S186 PolarHBondContact O-N 3.49Å; S183-T187 PolarHBondContact O-N 3.43Å; S183-T187 PolarHBondContact O-OG1 2.88Å
184L97.3Very high94.8Very high2 Ų227.7 Ų27.71%0.0115%0.145CC..Hα-helixtrans-66.7-36.9176.8-169.163.6000111.7I119 I144 L147 T148 L180 I181 T187 T188I119-L184 HydrophobicContact CG2-CD1 4.13Å; I144-L184 HydrophobicContact CG1-CD1 4.29Å; I144-L184 HydrophobicContact CG2-CD1 4.38Å; I144-L184 HydrophobicContact CG2-CG 4.42Å; L147-L184 HydrophobicContact CB-CD1 4.44Å; L147-L184 HydrophobicContact CB-CD2 3.72Å; L147-L184 HydrophobicContact CD1-CD1 4.21Å; T148-L184 VanDerWaalsContact OG1-CD2 3.22Å; T148-L184 WeakPolarHBondContact OG1-CD2 2.96Å; L180-L184 WeakPolarHBondContact O-CB 3.21Å; L180-L184 PolarHBondContact O-N 2.96Å; I181-L184 PolarHBondContact O-N 3.38Å; L184-T187 PolarHBondContact O-N 3.47Å; L184-T188 WeakPolarHBondContact O-CB 3.36Å; L184-T188 PolarHBondContact O-N 2.94Å; L184-T188 PolarHBondContact O-OG1 3.38Å
185L96.4Very high94.7Very high88 Ų8828.3 Ų28.346%0.46115%0.147SC..Hα-helixtrans-61.5-46.3173.3179.562.6000110.9I181 T187 T188 V189 I218I181-L185 WeakPolarHBondContact O-CB 3.46Å; I181-L185 PolarHBondContact O-N 3.21Å; L185-T187 VanDerWaalsContact C-N 3.35Å; L185-T187 PolarHBondContact O-N 3.49Å; L185-T188 PolarHBondContact O-N 3.01Å; L185-V189 HydrophobicContact CD1-CG2 4.5Å; L185-V189 WeakPolarHBondContact O-CG2 3.47Å; L185-V189 PolarHBondContact O-N 2.88Å; L185-I218 HydrophobicContact CD2-CD1 3.86Å; L185-I218 HydrophobicContact CG-CD1 4.21Å
186S95.3Very high94.6Very high12 Ų1230.2 Ų30.28%0.08416%0.157CC..Hα-helixtrans-56.8-49.5173.8-173.20000111.3L182 S183 T188 V189 R190L182-S186 PolarHBondContact O-N 3.13Å; L182-S186 VanDerWaalsContact O-N 3.15Å; S183-S186 WeakPolarHBondContact O-CB 3.24Å; S183-S186 PolarHBondContact O-N 3.49Å; S186-T188 VanDerWaalsContact C-N 3.31Å; S186-T188 PolarHBondContact O-N 3Å; S186-V189 PolarHBondContact O-N 3.39Å; S186-R190 WeakPolarHBondContact O-CG 3.36Å; S186-R190 PolarHBondContact O-N 3.01Å
187T95.8Very high94.3Very high4 Ų431 Ų313%0.02516%0.162CC..Hα-helixtrans-61.5-38.8179.1-56.10000112.1I119 V123 S183 L184 L185 R190 Y191I119-T187 HydrophobicContact CG1-CG2 4.45Å; I119-T187 HydrophobicContact CG2-CG2 4.39Å; V123-T187 HydrophobicContact CB-CG2 4.05Å; V123-T187 HydrophobicContact CG1-CG2 4.49Å; V123-T187 HydrophobicContact CG2-CG2 3.72Å; S183-T187 PolarHBondContact O-N 3.43Å; S183-T187 PolarHBondContact O-OG1 2.88Å; L184-T187 PolarHBondContact O-N 3.47Å; L185-T187 VanDerWaalsContact C-N 3.35Å; L185-T187 PolarHBondContact O-N 3.49Å; T187-R190 WeakPolarHBondContact O-CB 3.39Å; T187-R190 PolarHBondContact O-N 3.38Å; T187-Y191 WeakPolarHBondContact O-CB 3.36Å; T187-Y191 PolarHBondContact O-N 2.91Å
188T95.9Very high93.8Very high30 Ų3033.9 Ų33.918%0.18418%0.183CC..Hα-helixtrans-65.7-44.2177.3-58.30000111I144 L184 L185 S186 Y191 I192I144-T188 HydrophobicContact CG2-CG2 4.41Å; I144-T188 WeakPolarHBondContact CG2-OG1 3.25Å; L184-T188 WeakPolarHBondContact O-CB 3.36Å; L184-T188 PolarHBondContact O-N 2.94Å; L184-T188 PolarHBondContact O-OG1 3.38Å; L185-T188 PolarHBondContact O-N 3.01Å; S186-T188 VanDerWaalsContact C-N 3.31Å; S186-T188 PolarHBondContact O-N 3Å; T188-Y191 WeakPolarHBondContact O-CB 3.49Å; T188-Y191 PolarHBondContact O-N 3.06Å; T188-I192 HydrophobicContact CG2-CD1 4Å; T188-I192 VanDerWaalsContact O-CG1 3.27Å; T188-I192 WeakPolarHBondContact O-CG1 3.49Å; T188-I192 PolarHBondContact O-N 3.21Å
189V95.2Very high93.2Very high43 Ų4337.3 Ų37.326%0.26120%0.202SC..Hα-helixtrans-64.1-43176.1176.80000110.7L185 S186 Y191 I192 L193 V214L185-V189 HydrophobicContact CD1-CG2 4.5Å; L185-V189 WeakPolarHBondContact O-CG2 3.47Å; L185-V189 PolarHBondContact O-N 2.88Å; S186-V189 PolarHBondContact O-N 3.39Å; V189-Y191 PolarHBondContact O-N 3.45Å; V189-I192 PolarHBondContact O-N 3.23Å; V189-L193 HydrophobicContact CG1-CD1 3.98Å; V189-L193 HydrophobicContact CG1-CG 4.3Å; V189-L193 WeakPolarHBondContact O-CB 3.42Å; V189-L193 VanDerWaalsContact O-CG 3.26Å; V189-L193 WeakPolarHBondContact O-CG 3.32Å; V189-L193 PolarHBondContact O-N 3.01Å; V189-V214 HydrophobicContact CB-CG1 4.18Å; V189-V214 HydrophobicContact CB-CG2 4.45Å; V189-V214 HydrophobicContact CG1-CB 4.45Å; V189-V214 HydrophobicContact CG1-CG1 4.13Å; V189-V214 HydrophobicContact CG1-CG2 3.55Å
190R94.5Very high92.6Very high43 Ų4343 Ų4316%0.16222%0.222CC..Hα-helixtrans-56.1-51172.8-70179.7173.5-139.20.2110.9V123 D124 S186 T187 I192 L193 H194 L211 D215V123-R190 HydrophobicContact CG1-CB 3.89Å; D124-R190 IonicContact OD1-NH1 2.75Å; D124-R190 PolarHBondContact OD1-NH1 3Å; D124-R190 IonicContact OD2-NH1 2.95Å; S186-R190 WeakPolarHBondContact O-CG 3.36Å; S186-R190 PolarHBondContact O-N 3.01Å; T187-R190 WeakPolarHBondContact O-CB 3.39Å; T187-R190 PolarHBondContact O-N 3.38Å; R190-I192 VanDerWaalsContact C-N 3.33Å; R190-I192 PolarHBondContact O-N 3.27Å; R190-L193 PolarHBondContact O-N 2.98Å; R190-H194 WeakPolarHBondContact O-CB 3.49Å; R190-H194 PolarHBondContact O-CD2 3.49Å; R190-H194 PolarHBondContact O-N 2.77Å; R190-L211 HydrophobicContact CB-CD2 4.32Å; R190-L211 HydrophobicContact CG-CD2 3.77Å; R190-D215 IonicContact CZ-OD1 3.64Å; R190-D215 IonicContact NE-OD1 3.64Å; R190-D215 IonicContact NH2-OD1 2.75Å; R190-D215 PolarHBondContact NH2-OD1 2.92Å; R190-D215 IonicContact NH2-OD2 3.15Å; R190-D215 PolarHBondContact NH2-OD2 3.42Å
191Y94.4Very high91.4Very high8 Ų850.1 Ų50.13%0.03126%0.255CS..Hα-helixtrans-55.2-47.5177.9171.5-86.5000111.9V123 M126 H137 T140 M141 I144 T187 T188 V189 L193 H194 S195V123-Y191 HydrophobicContact CG2-CD2 4.24Å; M126-Y191 HydrophobicContact CE-CD2 3.88Å; M126-Y191 HydrophobicContact CE-CE2 4.28Å; M126-Y191 HydrophobicContact SD-CD2 4.24Å; M126-Y191 HydrophobicContact SD-CE2 4.2Å; H137-Y191 AromaticContact ND1-CE2 3.77Å; H137-Y191 AromaticContact ND1-CZ 3.54Å; H137-Y191 PolarHBondContact ND1-OH 2.95Å; T140-Y191 HydrophobicContact CG2-CD2 3.6Å; T140-Y191 HydrophobicContact CG2-CE2 3.53Å; T140-Y191 HydrophobicContact CG2-CG 4.48Å; M141-Y191 HydrophobicContact CE-CD1 3.69Å; M141-Y191 HydrophobicContact CE-CE1 3.09Å; M141-Y191 HydrophobicContact CG-CE1 4.17Å; M141-Y191 HydrophobicContact SD-CD1 3.77Å; M141-Y191 HydrophobicContact SD-CE1 3.27Å; M141-Y191 WeakPolarHBondContact SD-CE1 3.24Å; M141-Y191 HydrophobicContact SD-CE2 4.47Å; I144-Y191 HydrophobicContact CD1-CG 4.48Å; T187-Y191 WeakPolarHBondContact O-CB 3.36Å; T187-Y191 PolarHBondContact O-N 2.91Å; T188-Y191 WeakPolarHBondContact O-CB 3.49Å; T188-Y191 PolarHBondContact O-N 3.06Å; V189-Y191 PolarHBondContact O-N 3.45Å; Y191-L193 PolarHBondContact O-N 3.39Å; Y191-H194 PolarHBondContact O-N 2.98Å; Y191-S195 VanDerWaalsContact O-CB 3.31Å; Y191-S195 WeakPolarHBondContact O-CB 3.43Å; Y191-S195 PolarHBondContact O-N 3.47Å
192I93.7Very high90.1Very high77 Ų7755.5 Ų55.540%0.39528%0.279SS..Hα-helixtrans-60.7-46.7178.2-68.1164.8000110.4T188 V189 R190 H194 S195 I196T188-I192 HydrophobicContact CG2-CD1 4Å; T188-I192 VanDerWaalsContact O-CG1 3.27Å; T188-I192 WeakPolarHBondContact O-CG1 3.49Å; T188-I192 PolarHBondContact O-N 3.21Å; V189-I192 PolarHBondContact O-N 3.23Å; R190-I192 VanDerWaalsContact C-N 3.33Å; R190-I192 PolarHBondContact O-N 3.27Å; I192-H194 PolarHBondContact O-N 3.34Å; I192-S195 PolarHBondContact O-N 3.3Å; I192-I196 HydrophobicContact CG2-CD1 3.73Å; I192-I196 HydrophobicContact CG2-CG1 4.44Å; I192-I196 VanDerWaalsContact O-CG1 3.27Å; I192-I196 WeakPolarHBondContact O-CG1 3.41Å; I192-I196 PolarHBondContact O-N 2.9Å
193L92.7Very high88.9Confident18 Ų1858.7 Ų58.79%0.09430%0.302CS..Hα-helixtrans-62.4-42.8179.1-69.2173.3000112.1V189 R190 Y191 D197 W204 L211V189-L193 HydrophobicContact CG1-CD1 3.98Å; V189-L193 HydrophobicContact CG1-CG 4.3Å; V189-L193 WeakPolarHBondContact O-CB 3.42Å; V189-L193 VanDerWaalsContact O-CG 3.26Å; V189-L193 WeakPolarHBondContact O-CG 3.32Å; V189-L193 PolarHBondContact O-N 3.01Å; R190-L193 PolarHBondContact O-N 2.98Å; Y191-L193 PolarHBondContact O-N 3.39Å; L193-D197 WeakPolarHBondContact O-CB 3.3Å; L193-D197 PolarHBondContact O-N 3.49Å; L193-W204 HydrophobicContact CB-CZ3 4.44Å; L193-W204 HydrophobicContact CD2-CH2 3.4Å; L193-W204 VanDerWaalsContact CD2-CH2 3.4Å; L193-W204 HydrophobicContact CD2-CZ3 3.6Å; L193-L211 HydrophobicContact CD1-CD2 3.67Å; L193-L211 HydrophobicContact CD1-CG 4.16Å
194H90.3Very high88Confident9 Ų960.2 Ų60.24%0.04231%0.305CS..Hα-helixtrans-68.5-37.2176.5-71.1-67.6000112.1M126 E127 R190 Y191 I192 D197 S198 K207M126-H194 HydrophobicContact CE-CB 3.17Å; E127-H194 IonicContact OE2-CE1 3.92Å; R190-H194 WeakPolarHBondContact O-CB 3.49Å; R190-H194 PolarHBondContact O-CD2 3.49Å; R190-H194 PolarHBondContact O-N 2.77Å; Y191-H194 PolarHBondContact O-N 2.98Å; I192-H194 PolarHBondContact O-N 3.34Å; H194-D197 PolarHBondContact O-N 3.46Å; H194-S198 WeakPolarHBondContact O-CB 3.37Å; H194-S198 PolarHBondContact O-N 3.01Å; H194-K207 VanDerWaalsContact CE1-CE 3.49Å; H194-K207 WeakPolarHBondContact CE1-CE 3.47Å; H194-K207 WeakPolarHBondContact ND1-CE 3.27Å; H194-K207 PolarHBondContact ND1-NZ 2.95Å
195S90.4Very high86.8Confident25 Ų2562.3 Ų62.318%0.17532%0.316CS..Hα-helixtrans-63.9-45.3174.9-169.40000111Y191 I192 D197 S198 M199Y191-S195 VanDerWaalsContact O-CB 3.31Å; Y191-S195 WeakPolarHBondContact O-CB 3.43Å; Y191-S195 PolarHBondContact O-N 3.47Å; I192-S195 PolarHBondContact O-N 3.3Å; S195-D197 VanDerWaalsContact C-N 3.33Å; S195-D197 PolarHBondContact O-N 2.99Å; S195-S198 PolarHBondContact O-N 3.39Å; S195-S198 PolarHBondContact O-OG 3.49Å; S195-M199 WeakPolarHBondContact O-CG 3.39Å; S195-M199 PolarHBondContact O-N 2.79Å
196I89.6Confident86.1Confident64 Ų6463.2 Ų63.233%0.32832%0.316SS..Hα-helixtrans-63.2-41176.2-67.3165.8000110.9I192 S198 M199 R200 W204I192-I196 HydrophobicContact CG2-CD1 3.73Å; I192-I196 HydrophobicContact CG2-CG1 4.44Å; I192-I196 VanDerWaalsContact O-CG1 3.27Å; I192-I196 WeakPolarHBondContact O-CG1 3.41Å; I192-I196 PolarHBondContact O-N 2.9Å; I196-S198 VanDerWaalsContact C-N 3.35Å; I196-M199 PolarHBondContact O-N 3Å; I196-R200 WeakPolarHBondContact O-CG 3.48Å; I196-R200 PolarHBondContact O-N 2.9Å; I196-W204 HydrophobicContact CG2-CZ3 4.28Å
197D88.1Confident85.8Confident40 Ų4063.3 Ų63.321%0.21432%0.315CS..Hα-helixtrans-63-40.9177-167.356.2000111.5L193 H194 S195 M199 R200 W204 K207L193-D197 WeakPolarHBondContact O-CB 3.3Å; L193-D197 PolarHBondContact O-N 3.49Å; H194-D197 PolarHBondContact O-N 3.46Å; S195-D197 VanDerWaalsContact C-N 3.33Å; S195-D197 PolarHBondContact O-N 2.99Å; D197-M199 PolarHBondContact O-N 2.87Å; D197-R200 PolarHBondContact O-N 3.23Å; D197-R200 VanDerWaalsContact O-N 3.15Å; D197-W204 WeakPolarHBondContact OD1-CB 3.32Å; D197-K207 HydrophobicContact CB-CD 4.06Å; D197-K207 WeakPolarHBondContact OD2-CD 3.42Å; D197-K207 WeakPolarHBondContact OD2-CE 3.4Å; D197-K207 IonicContact OD2-NZ 2.69Å; D197-K207 PolarHBondContact OD2-NZ 2.93Å
198S84Confident85.3Confident64 Ų6463.8 Ų63.845%0.44832%0.32SS..Hα-helixtrans-66-24177.673.60000114.2H194 S195 I196H194-S198 WeakPolarHBondContact O-CB 3.37Å; H194-S198 PolarHBondContact O-N 3.01Å; S195-S198 PolarHBondContact O-N 3.39Å; S195-S198 PolarHBondContact O-OG 3.49Å; I196-S198 VanDerWaalsContact C-N 3.35Å
199M83.7Confident84.9Confident154 Ų15463.4 Ų63.476%0.75932%0.317SS*.THydrogen-bonded Turntrans-84-12.4177.3-68.8178.767.600113S195 I196 D197S195-M199 WeakPolarHBondContact O-CG 3.39Å; S195-M199 PolarHBondContact O-N 2.79Å; I196-M199 PolarHBondContact O-N 3Å; D197-M199 PolarHBondContact O-N 2.87Å
200R81.5Confident84.7Confident136 Ų13666.4 Ų66.451%0.51333%0.325SS..  trans-98.2132.5-177.7-70.8175175.2-152-3.8109.9I196 D197 H202I196-R200 WeakPolarHBondContact O-CG 3.48Å; I196-R200 PolarHBondContact O-N 2.9Å; D197-R200 PolarHBondContact O-N 3.23Å; D197-R200 VanDerWaalsContact O-N 3.15Å; R200-H202 VanDerWaalsContact C-N 3.32Å
201E71.3Confident84.6Confident162 Ų16265.4 Ų65.476%0.75732%0.323SS*.SBendtrans-70-32.5174.3-66178.3170.300112
202H70Confident84.5Confident153 Ų15366.1 Ų66.171%0.70833%0.327SS*.SBendtrans-98.1137-176.4-64.974000111.6R200 W204R200-H202 VanDerWaalsContact C-N 3.32Å; H202-W204 PolarHBondContact O-N 2.76Å
203S71Confident84.5Confident79 Ų7967 Ų6755%0.55233%0.325SS*.  trans-57.9122.6-178.159.60000113N205S203-N205 PolarHBondContact O-N 3.3Å
204W76.1Confident84.6Confident54 Ų5467.2 Ų67.221%0.20533%0.328CS..  trans-79.490.6-179-174.817.5000112.2L193 I196 D197 H202 K206 K207 Y210L193-W204 HydrophobicContact CB-CZ3 4.44Å; L193-W204 HydrophobicContact CD2-CH2 3.4Å; L193-W204 VanDerWaalsContact CD2-CH2 3.4Å; L193-W204 HydrophobicContact CD2-CZ3 3.6Å; I196-W204 HydrophobicContact CG2-CZ3 4.28Å; D197-W204 WeakPolarHBondContact OD1-CB 3.32Å; H202-W204 PolarHBondContact O-N 2.76Å; W204-K206 PolarHBondContact O-N 2.95Å; W204-K207 HydrophobicContact CB-CB 4.25Å; W204-K207 HydrophobicContact CD2-CB 3.92Å; W204-K207 HydrophobicContact CE3-CB 3.91Å; W204-K207 HydrophobicContact CE3-CG 4.3Å; W204-K207 HydrophobicContact CG-CB 4.1Å; W204-K207 VanDerWaalsContact O-CB 3.28Å; W204-K207 WeakPolarHBondContact O-CB 3.26Å; W204-K207 PolarHBondContact O-N 3.23Å; W204-Y210 HydrophobicContact CH2-CD2 4.21Å; W204-Y210 AromaticContact CZ2-CD2 3.6Å; W204-Y210 HydrophobicContact CZ2-CD2 3.6Å; W204-Y210 AromaticContact CZ2-CE2 3.61Å; W204-Y210 HydrophobicContact CZ2-CE2 3.61Å
205N72.9Confident84.7Confident45 Ų4569 Ų6924%0.24134%0.338CS..THydrogen-bonded Turntrans-59.4-17.1-176.7-68.7-44000116.1S203 G325 Q332S203-N205 PolarHBondContact O-N 3.3Å; N205-G325 PolarHBondContact OD1-O 2.88Å; N205-Q332 PolarHBondContact O-NE2 3.18Å; N205-Q332 PolarHBondContact O-OE1 2.89Å
206K82.6Confident85Confident108 Ų10869.8 Ų69.847%0.4734%0.34SS..THydrogen-bonded Turntrans-97.5-7178.3-63.1-179.6-178.1174.40113.4W204 A208 T209 Y210W204-K206 PolarHBondContact O-N 2.95Å; K206-A208 PolarHBondContact O-N 3.07Å; K206-T209 WeakPolarHBondContact O-CB 3.34Å; K206-T209 PolarHBondContact O-N 3.32Å; K206-T209 VanDerWaalsContact O-N 3.13Å; K206-Y210 HydrophobicContact CB-CD2 4.03Å; K206-Y210 HydrophobicContact CB-CE2 3.66Å; K206-Y210 HydrophobicContact CD-CE2 4.46Å; K206-Y210 WeakPolarHBondContact O-CD2 3.44Å; K206-Y210 PolarHBondContact O-N 3.32Å; K206-Y210 VanDerWaalsContact O-N 3.13Å
207K87.3Confident85.3Confident14 Ų1471.8 Ų71.86%0.06135%0.35CS..Hα-helixtrans-53-52.7-176.1176.5-174.9171.6-167.60112.9E127 H194 D197 W204 T209 Y210 L211E127-K207 IonicContact OE1-NZ 3.74Å; H194-K207 VanDerWaalsContact CE1-CE 3.49Å; H194-K207 WeakPolarHBondContact CE1-CE 3.47Å; H194-K207 WeakPolarHBondContact ND1-CE 3.27Å; H194-K207 PolarHBondContact ND1-NZ 2.95Å; D197-K207 HydrophobicContact CB-CD 4.06Å; D197-K207 WeakPolarHBondContact OD2-CD 3.42Å; D197-K207 WeakPolarHBondContact OD2-CE 3.4Å; D197-K207 IonicContact OD2-NZ 2.69Å; D197-K207 PolarHBondContact OD2-NZ 2.93Å; W204-K207 HydrophobicContact CB-CB 4.25Å; W204-K207 HydrophobicContact CD2-CB 3.92Å; W204-K207 HydrophobicContact CE3-CB 3.91Å; W204-K207 HydrophobicContact CE3-CG 4.3Å; W204-K207 HydrophobicContact CG-CB 4.1Å; W204-K207 VanDerWaalsContact O-CB 3.28Å; W204-K207 WeakPolarHBondContact O-CB 3.26Å; W204-K207 PolarHBondContact O-N 3.23Å; K207-T209 PolarHBondContact O-N 2.94Å; K207-Y210 PolarHBondContact O-N 3.35Å; K207-Y210 VanDerWaalsContact O-N 3.07Å; K207-L211 HydrophobicContact CG-CD1 4.09Å; K207-L211 WeakPolarHBondContact O-CG 3.45Å; K207-L211 PolarHBondContact O-N 3.47Å
208A86.2Confident85.7Confident14 Ų1470.3 Ų70.312%0.11634%0.342CS..Hα-helixtrans-64.6-29.7-177.400000112.6K206 L212 Q332K206-A208 PolarHBondContact O-N 3.07Å; A208-L212 VanDerWaalsContact O-CG 3.32Å; A208-L212 WeakPolarHBondContact O-CG 3.34Å; A208-L212 PolarHBondContact O-N 3.02Å; A208-L212 VanDerWaalsContact O-N 3.08Å; A208-Q332 HydrophobicContact CB-CB 4.05Å
209T88Confident86.2Confident22 Ų2267.4 Ų67.414%0.13532%0.323CS..Hα-helixtrans-67.4-42.1172.6-57.80000112K206 K207 L212 Y213 M261 Q332K206-T209 WeakPolarHBondContact O-CB 3.34Å; K206-T209 PolarHBondContact O-N 3.32Å; K206-T209 VanDerWaalsContact O-N 3.13Å; K207-T209 PolarHBondContact O-N 2.94Å; T209-L212 PolarHBondContact O-N 2.94Å; T209-Y213 HydrophobicContact CG2-CD2 4.09Å; T209-Y213 HydrophobicContact CG2-CE2 3.44Å; T209-Y213 VanDerWaalsContact CG2-CE2 3.44Å; T209-Y213 VanDerWaalsContact O-CD2 3.3Å; T209-Y213 WeakPolarHBondContact O-CD2 3.34Å; T209-Y213 PolarHBondContact O-N 3.44Å; T209-M261 HydrophobicContact CG2-CE 4.18Å; T209-Q332 PolarHBondContact OG1-OE1 3.01Å
210Y91.4Very high86.8Confident106 Ų10666.5 Ų66.542%0.41632%0.315SS..Hα-helixtrans-64.6-41.9175.1-73.4-70.8000112.3W204 K206 K207 L212 Y213 V214W204-Y210 HydrophobicContact CH2-CD2 4.21Å; W204-Y210 AromaticContact CZ2-CD2 3.6Å; W204-Y210 HydrophobicContact CZ2-CD2 3.6Å; W204-Y210 AromaticContact CZ2-CE2 3.61Å; W204-Y210 HydrophobicContact CZ2-CE2 3.61Å; K206-Y210 HydrophobicContact CB-CD2 4.03Å; K206-Y210 HydrophobicContact CB-CE2 3.66Å; K206-Y210 HydrophobicContact CD-CE2 4.46Å; K206-Y210 WeakPolarHBondContact O-CD2 3.44Å; K206-Y210 PolarHBondContact O-N 3.32Å; K206-Y210 VanDerWaalsContact O-N 3.13Å; K207-Y210 PolarHBondContact O-N 3.35Å; K207-Y210 VanDerWaalsContact O-N 3.07Å; Y210-L212 VanDerWaalsContact C-N 3.32Å; Y210-L212 PolarHBondContact O-N 3.46Å; Y210-Y213 PolarHBondContact O-N 3.44Å; Y210-Y213 VanDerWaalsContact O-N 3.15Å; Y210-V214 WeakPolarHBondContact O-CG2 3.4Å; Y210-V214 PolarHBondContact O-N 3.02Å
211L91.8Very high87.5Confident22 Ų2262.8 Ų62.812%0.11530%0.304CS..Hα-helixtrans-57.7-45.3174.9-68.1170.9000111.4R190 L193 K207 Y213 V214 D215R190-L211 HydrophobicContact CB-CD2 4.32Å; R190-L211 HydrophobicContact CG-CD2 3.77Å; L193-L211 HydrophobicContact CD1-CD2 3.67Å; L193-L211 HydrophobicContact CD1-CG 4.16Å; K207-L211 HydrophobicContact CG-CD1 4.09Å; K207-L211 WeakPolarHBondContact O-CG 3.45Å; K207-L211 PolarHBondContact O-N 3.47Å; L211-Y213 VanDerWaalsContact C-N 3.34Å; L211-Y213 PolarHBondContact O-N 3.32Å; L211-V214 PolarHBondContact O-N 3.45Å; L211-D215 PolarHBondContact O-N 3.4Å
212L92.2Very high88.7Confident22 Ų2257.5 Ų57.512%0.11528%0.277CS..Hα-helixtrans-62.5-37.5175.6-72.3168.3000112.8A208 T209 Y210 I216 D260 M261A208-L212 VanDerWaalsContact O-CG 3.32Å; A208-L212 WeakPolarHBondContact O-CG 3.34Å; A208-L212 PolarHBondContact O-N 3.02Å; A208-L212 VanDerWaalsContact O-N 3.08Å; T209-L212 PolarHBondContact O-N 2.94Å; Y210-L212 VanDerWaalsContact C-N 3.32Å; Y210-L212 PolarHBondContact O-N 3.46Å; L212-I216 VanDerWaalsContact O-CG1 3.26Å; L212-I216 WeakPolarHBondContact O-CG1 3.35Å; L212-I216 PolarHBondContact O-N 2.98Å; L212-I216 VanDerWaalsContact O-N 3.08Å; L212-D260 HydrophobicContact CD2-CB 3.94Å; L212-M261 HydrophobicContact CB-CE 4.17Å; L212-M261 HydrophobicContact CB-SD 4.45Å; L212-M261 HydrophobicContact CD1-CE 3.68Å
213Y93.7Very high90Very high95 Ų9552 Ų5237%0.37325%0.253SS..Hα-helixtrans-66.1-40.6175.5-70.3-40.9000112.8T209 Y210 L211 I216 L217 M261 R265T209-Y213 HydrophobicContact CG2-CD2 4.09Å; T209-Y213 HydrophobicContact CG2-CE2 3.44Å; T209-Y213 VanDerWaalsContact CG2-CE2 3.44Å; T209-Y213 VanDerWaalsContact O-CD2 3.3Å; T209-Y213 WeakPolarHBondContact O-CD2 3.34Å; T209-Y213 PolarHBondContact O-N 3.44Å; Y210-Y213 PolarHBondContact O-N 3.44Å; Y210-Y213 VanDerWaalsContact O-N 3.15Å; L211-Y213 VanDerWaalsContact C-N 3.34Å; L211-Y213 PolarHBondContact O-N 3.32Å; Y213-I216 PolarHBondContact O-N 3.24Å; Y213-L217 WeakPolarHBondContact O-CB 3.15Å; Y213-L217 PolarHBondContact O-N 3.14Å; Y213-M261 HydrophobicContact CD1-SD 3.89Å; Y213-M261 HydrophobicContact CE1-CG 4.44Å; Y213-M261 HydrophobicContact CE1-SD 3.33Å; Y213-M261 WeakPolarHBondContact CE1-SD 3.48Å; Y213-R265 PolarHBondContact OH-NH2 2.92Å
214V94.1Very high91.2Very high24 Ų2450.3 Ų50.315%0.14524%0.244CC..Hα-helixtrans-63.7-45.9176.81740000110.3V189 Y210 L211 I216 L217 I218V189-V214 HydrophobicContact CB-CG1 4.18Å; V189-V214 HydrophobicContact CB-CG2 4.45Å; V189-V214 HydrophobicContact CG1-CB 4.45Å; V189-V214 HydrophobicContact CG1-CG1 4.13Å; V189-V214 HydrophobicContact CG1-CG2 3.55Å; Y210-V214 WeakPolarHBondContact O-CG2 3.4Å; Y210-V214 PolarHBondContact O-N 3.02Å; L211-V214 PolarHBondContact O-N 3.45Å; V214-I216 VanDerWaalsContact C-N 3.31Å; V214-I216 PolarHBondContact O-N 2.97Å; V214-L217 PolarHBondContact O-N 3.15Å; V214-I218 HydrophobicContact CG1-CG1 4.19Å; V214-I218 WeakPolarHBondContact O-CB 3.34Å; V214-I218 WeakPolarHBondContact O-CG1 3.34Å; V214-I218 PolarHBondContact O-N 3.34Å
215D93.7Very high92.1Very high46 Ų4649 Ų4925%0.24624%0.242CC..Hα-helixtrans-60.3-39.6177.7-74-12.5000112.3R190 L211 G219 A257R190-D215 IonicContact CZ-OD1 3.64Å; R190-D215 IonicContact NE-OD1 3.64Å; R190-D215 IonicContact NH2-OD1 2.75Å; R190-D215 PolarHBondContact NH2-OD1 2.92Å; R190-D215 IonicContact NH2-OD2 3.15Å; R190-D215 PolarHBondContact NH2-OD2 3.42Å; L211-D215 PolarHBondContact O-N 3.4Å; D215-G219 WeakPolarHBondContact O-CA 3.44Å; D215-G219 PolarHBondContact O-N 2.88Å; D215-A257 HydrophobicContact CB-CB 4.3Å
216I95.8Very high93.1Very high42 Ų4247.3 Ų47.322%0.21523%0.232CC..Hα-helixtrans-69-46.6176.3-68.9168000111L212 Y213 V214 G219 F220 L254 A257 I258 M261L212-I216 VanDerWaalsContact O-CG1 3.26Å; L212-I216 WeakPolarHBondContact O-CG1 3.35Å; L212-I216 PolarHBondContact O-N 2.98Å; L212-I216 VanDerWaalsContact O-N 3.08Å; Y213-I216 PolarHBondContact O-N 3.24Å; V214-I216 VanDerWaalsContact C-N 3.31Å; V214-I216 PolarHBondContact O-N 2.97Å; I216-G219 PolarHBondContact O-N 2.78Å; I216-F220 WeakPolarHBondContact O-CB 3.39Å; I216-F220 PolarHBondContact O-N 3.32Å; I216-L254 HydrophobicContact CG2-CD1 4.3Å; I216-A257 HydrophobicContact CG1-CB 3.86Å; I216-I258 HydrophobicContact CD1-CG1 4.42Å; I216-I258 HydrophobicContact CG1-CG1 4.3Å; I216-M261 HydrophobicContact CD1-CB 3.72Å; I216-M261 HydrophobicContact CD1-CG 4.04Å
217L96.5Very high93.6Very high106 Ų10644.8 Ų44.856%0.55523%0.226SC*.Hα-helixtrans-62-52.2-178.5178.665.8000111Y213 V214 G219 F220 I221Y213-L217 WeakPolarHBondContact O-CB 3.15Å; Y213-L217 PolarHBondContact O-N 3.14Å; V214-L217 PolarHBondContact O-N 3.15Å; L217-G219 VanDerWaalsContact C-N 3.32Å; L217-G219 PolarHBondContact O-N 3.2Å; L217-F220 PolarHBondContact O-N 3.05Å; L217-I221 HydrophobicContact CD1-CD1 4.18Å; L217-I221 HydrophobicContact CG-CD1 4.07Å; L217-I221 WeakPolarHBondContact O-CG1 3.44Å; L217-I221 PolarHBondContact O-N 2.97Å
218I95.4Very high93.8Very high8 Ų849.8 Ų49.84%0.04125%0.249CC..Hα-helixtrans-65-38.6178.1-62.2-64.6000110.5L182 L185 V214 F220 I221 R222L182-I218 HydrophobicContact CB-CG2 4.42Å; L185-I218 HydrophobicContact CD2-CD1 3.86Å; L185-I218 HydrophobicContact CG-CD1 4.21Å; V214-I218 HydrophobicContact CG1-CG1 4.19Å; V214-I218 WeakPolarHBondContact O-CB 3.34Å; V214-I218 WeakPolarHBondContact O-CG1 3.34Å; V214-I218 PolarHBondContact O-N 3.34Å; I218-F220 VanDerWaalsContact C-N 3.34Å; I218-F220 PolarHBondContact O-N 3.03Å; I218-I221 PolarHBondContact O-N 2.98Å; I218-R222 VanDerWaalsContact O-CB 3.22Å; I218-R222 WeakPolarHBondContact O-CB 3.5Å; I218-R222 PolarHBondContact O-N 2.64Å
219G95.3Very high94.1Very high4 Ų449.3 Ų49.34%0.04125%0.245CC..Hα-helixtrans-60.9-39.8175.100000113.2D215 I216 L217 L223D215-G219 WeakPolarHBondContact O-CA 3.44Å; D215-G219 PolarHBondContact O-N 2.88Å; I216-G219 PolarHBondContact O-N 2.78Å; L217-G219 VanDerWaalsContact C-N 3.32Å; L217-G219 PolarHBondContact O-N 3.2Å; G219-L223 PolarHBondContact O-N 3.3Å; G219-L223 VanDerWaalsContact O-N 3.11Å
220F96.6Very high94.3Very high134 Ų13449.6 Ų49.659%0.58825%0.246SC*.Hα-helixtrans-67.7-47.9175.3-175.6-93.6000111.8I216 L217 I218 R222 L223 A224I216-F220 WeakPolarHBondContact O-CB 3.39Å; I216-F220 PolarHBondContact O-N 3.32Å; L217-F220 PolarHBondContact O-N 3.05Å; I218-F220 VanDerWaalsContact C-N 3.34Å; I218-F220 PolarHBondContact O-N 3.03Å; F220-R222 VanDerWaalsContact C-N 3.32Å; F220-R222 PolarHBondContact O-N 3.48Å; F220-L223 PolarHBondContact O-N 3.49Å; F220-A224 PolarHBondContact O-N 2.88Å
221I96.7Very high94.3Very high58 Ų5851.2 Ų51.230%0.29726%0.255SS..Hα-helixtrans-59.4-45177.6-64.7167.1000110.2L182 L217 I218 L223 A224 V225L182-I221 HydrophobicContact CD1-CG2 3.82Å; L182-I221 HydrophobicContact CD2-CG2 3.8Å; L182-I221 HydrophobicContact CG-CG2 4.5Å; L217-I221 HydrophobicContact CD1-CD1 4.18Å; L217-I221 HydrophobicContact CG-CD1 4.07Å; L217-I221 WeakPolarHBondContact O-CG1 3.44Å; L217-I221 PolarHBondContact O-N 2.97Å; I218-I221 PolarHBondContact O-N 2.98Å; I221-L223 PolarHBondContact O-N 3.46Å; I221-A224 PolarHBondContact O-N 3.46Å; I221-V225 HydrophobicContact CG2-CG2 4.26Å; I221-V225 WeakPolarHBondContact O-CB 3.27Å; I221-V225 WeakPolarHBondContact O-CG2 3.23Å; I221-V225 PolarHBondContact O-N 2.86Å
222R96.3Very high94.2Very high51 Ų5154 Ų5419%0.19227%0.27CS..Hα-helixtrans-58-45.6177.1-174.2-174-64.6167.9-2.7112.1I179 I218 F220 V225 Y226 S250I179-R222 HydrophobicContact CD1-CG 3.87Å; I218-R222 VanDerWaalsContact O-CB 3.22Å; I218-R222 WeakPolarHBondContact O-CB 3.5Å; I218-R222 PolarHBondContact O-N 2.64Å; F220-R222 VanDerWaalsContact C-N 3.32Å; F220-R222 PolarHBondContact O-N 3.48Å; R222-V225 PolarHBondContact O-N 3.24Å; R222-Y226 HydrophobicContact CG-CD2 3.98Å; R222-Y226 HydrophobicContact CG-CE2 3.68Å; R222-Y226 VanDerWaalsContact O-CD2 3.3Å; R222-Y226 WeakPolarHBondContact O-CD2 3.49Å; R222-Y226 PolarHBondContact O-N 3.19Å; R222-S250 WeakPolarHBondContact CD-OG 3.48Å
223L96Very high94Very high39 Ų3952.9 Ų52.920%0.20426%0.264CS..Hα-helixtrans-66.4-43.7178.6-176.762.6000111.6G219 F220 I221 V225 Y226 V227 I247 I251 L254G219-L223 PolarHBondContact O-N 3.3Å; G219-L223 VanDerWaalsContact O-N 3.11Å; F220-L223 PolarHBondContact O-N 3.49Å; I221-L223 PolarHBondContact O-N 3.46Å; L223-V225 VanDerWaalsContact C-N 3.3Å; L223-V225 PolarHBondContact O-N 3.42Å; L223-Y226 PolarHBondContact O-N 3.01Å; L223-V227 HydrophobicContact CD1-CG2 4.3Å; L223-V227 HydrophobicContact CG-CG2 4.37Å; L223-V227 WeakPolarHBondContact O-CB 3.45Å; L223-V227 VanDerWaalsContact O-CG2 3.26Å; L223-V227 WeakPolarHBondContact O-CG2 3.4Å; L223-V227 PolarHBondContact O-N 3.17Å; L223-I247 HydrophobicContact CD1-CG2 4.37Å; L223-I251 HydrophobicContact CD1-CD1 4.25Å; L223-I251 HydrophobicContact CD1-CG1 3.72Å; L223-I251 HydrophobicContact CD2-CG1 4.22Å; L223-L254 HydrophobicContact CD2-CD2 4.23Å
224A95.9Very high93.8Very high43 Ų4356.3 Ų56.336%0.35528%0.276SS..Hα-helixtrans-57-46.4176.500000111F220 I221 Y226 V227 E228F220-A224 PolarHBondContact O-N 2.88Å; I221-A224 PolarHBondContact O-N 3.46Å; A224-Y226 PolarHBondContact O-N 3.49Å; A224-V227 PolarHBondContact O-N 3.41Å; A224-E228 WeakPolarHBondContact O-CG 3.38Å; A224-E228 PolarHBondContact O-N 3.47Å
225V95.6Very high93.5Very high25 Ų2559.6 Ų59.615%0.15230%0.3CS..Hα-helixtrans-60.8-44.1177.8170.20000112.1I175 F178 I179 L182 I221 R222 L223 F229I175-V225 HydrophobicContact CD1-CG1 3.28Å; I175-V225 HydrophobicContact CG1-CG1 4.16Å; F178-V225 HydrophobicContact CD1-CG1 3.8Å; F178-V225 HydrophobicContact CD1-CG2 4.22Å; F178-V225 HydrophobicContact CE1-CB 4.47Å; F178-V225 HydrophobicContact CE1-CG1 4.04Å; F178-V225 HydrophobicContact CE1-CG2 3.59Å; I179-V225 HydrophobicContact CD1-CB 4.33Å; I179-V225 HydrophobicContact CD1-CG1 3.79Å; L182-V225 HydrophobicContact CD1-CG2 4.31Å; I221-V225 HydrophobicContact CG2-CG2 4.26Å; I221-V225 WeakPolarHBondContact O-CB 3.27Å; I221-V225 WeakPolarHBondContact O-CG2 3.23Å; I221-V225 PolarHBondContact O-N 2.86Å; R222-V225 PolarHBondContact O-N 3.24Å; L223-V225 VanDerWaalsContact C-N 3.3Å; L223-V225 PolarHBondContact O-N 3.42Å; V225-F229 VanDerWaalsContact O-CB 3.27Å; V225-F229 WeakPolarHBondContact O-CB 3.24Å; V225-F229 PolarHBondContact O-N 3.26Å
226Y93.8Very high93.1Very high11 Ų1161.2 Ų61.24%0.04331%0.309CS..Hα-helixtrans-66.9-35.8175.9-78.5-49.5000113.3I179 R222 L223 A224 T230 I243 P246 I247I179-Y226 HydrophobicContact CD1-CD1 4.35Å; I179-Y226 HydrophobicContact CD1-CD2 4.34Å; I179-Y226 HydrophobicContact CD1-CE1 3.95Å; I179-Y226 HydrophobicContact CD1-CE2 3.95Å; I179-Y226 HydrophobicContact CG1-CE1 3.98Å; R222-Y226 HydrophobicContact CG-CD2 3.98Å; R222-Y226 HydrophobicContact CG-CE2 3.68Å; R222-Y226 VanDerWaalsContact O-CD2 3.3Å; R222-Y226 WeakPolarHBondContact O-CD2 3.49Å; R222-Y226 PolarHBondContact O-N 3.19Å; L223-Y226 PolarHBondContact O-N 3.01Å; A224-Y226 PolarHBondContact O-N 3.49Å; Y226-T230 WeakPolarHBondContact O-CB 3.49Å; Y226-T230 PolarHBondContact O-N 2.9Å; Y226-T230 PolarHBondContact O-OG1 3.3Å; Y226-I243 HydrophobicContact CD1-CG2 3.89Å; Y226-I243 HydrophobicContact CE1-CG2 4.37Å; Y226-P246 HydrophobicContact CE1-CB 4.23Å; Y226-P246 HydrophobicContact CE2-CB 4.19Å; Y226-I247 HydrophobicContact CD2-CG1 4.32Å; Y226-I247 HydrophobicContact CG-CG1 4Å
227V93.1Very high92.2Very high55 Ų5562.2 Ų62.233%0.33331%0.312SS..Hα-helixtrans-65.9-50.6177.3168.40000110L223 A224 F229 T230 F231L223-V227 HydrophobicContact CD1-CG2 4.3Å; L223-V227 HydrophobicContact CG-CG2 4.37Å; L223-V227 WeakPolarHBondContact O-CB 3.45Å; L223-V227 VanDerWaalsContact O-CG2 3.26Å; L223-V227 WeakPolarHBondContact O-CG2 3.4Å; L223-V227 PolarHBondContact O-N 3.17Å; A224-V227 PolarHBondContact O-N 3.41Å; V227-F229 VanDerWaalsContact C-N 3.35Å; V227-F229 PolarHBondContact O-N 2.86Å; V227-T230 WeakPolarHBondContact O-CB 3.37Å; V227-T230 PolarHBondContact O-N 3Å; V227-T230 VanDerWaalsContact O-N 3.14Å; V227-F231 HydrophobicContact CG1-CD2 3.73Å; V227-F231 HydrophobicContact CG1-CE2 3.39Å; V227-F231 WeakPolarHBondContact O-CD2 3.41Å; V227-F231 PolarHBondContact O-N 2.96Å
228E92.8Very high91.5Very high119 Ų11962 Ų6256%0.55632%0.318SS*.Hα-helixtrans-57.4-46.8175.1-68.3-59.6154.300111.5A224 T230 F231 I232A224-E228 WeakPolarHBondContact O-CG 3.38Å; A224-E228 PolarHBondContact O-N 3.47Å; E228-T230 VanDerWaalsContact C-N 3.31Å; E228-T230 PolarHBondContact O-N 3.07Å; E228-F231 PolarHBondContact O-N 3.25Å; E228-I232 VanDerWaalsContact O-CG1 3.32Å; E228-I232 WeakPolarHBondContact O-CG1 3.46Å; E228-I232 PolarHBondContact O-N 3.42Å
229F92.5Very high90.9Very high4 Ų466.7 Ų66.72%0.01834%0.338CS..Hα-helixtrans-61.3-38.2176.7176.3-120.6000112.7L171 A172 I175 V225 V227 I232 M233 F242 I243L171-F229 HydrophobicContact CD2-CD2 4.1Å; L171-F229 HydrophobicContact CD2-CE2 3.82Å; L171-F229 HydrophobicContact CG-CD2 4.14Å; L171-F229 HydrophobicContact CG-CE2 3.77Å; A172-F229 HydrophobicContact CB-CZ 4.19Å; I175-F229 HydrophobicContact CB-CD1 4.47Å; I175-F229 HydrophobicContact CB-CD2 4.2Å; I175-F229 HydrophobicContact CB-CE2 4.36Å; I175-F229 HydrophobicContact CB-CG 4.28Å; I175-F229 HydrophobicContact CD1-CB 4.1Å; I175-F229 HydrophobicContact CD1-CG 4.36Å; I175-F229 HydrophobicContact CG1-CB 4.04Å; I175-F229 HydrophobicContact CG1-CD1 4.08Å; I175-F229 HydrophobicContact CG1-CD2 4.23Å; I175-F229 HydrophobicContact CG1-CG 3.86Å; I175-F229 HydrophobicContact CG2-CD1 3.94Å; I175-F229 HydrophobicContact CG2-CD2 4.14Å; I175-F229 HydrophobicContact CG2-CE1 3.66Å; I175-F229 HydrophobicContact CG2-CE2 3.9Å; I175-F229 HydrophobicContact CG2-CG 4.17Å; I175-F229 HydrophobicContact CG2-CZ 3.67Å; V225-F229 VanDerWaalsContact O-CB 3.27Å; V225-F229 WeakPolarHBondContact O-CB 3.24Å; V225-F229 PolarHBondContact O-N 3.26Å; V227-F229 VanDerWaalsContact C-N 3.35Å; V227-F229 PolarHBondContact O-N 2.86Å; F229-I232 PolarHBondContact O-N 3.03Å; F229-M233 HydrophobicContact CD2-CG 3.87Å; F229-M233 HydrophobicContact CE1-CG 4.11Å; F229-M233 HydrophobicContact CE2-CG 3.33Å; F229-M233 HydrophobicContact CE2-SD 3.89Å; F229-M233 HydrophobicContact CG-CG 4.44Å; F229-M233 HydrophobicContact CZ-CG 3.46Å; F229-M233 VanDerWaalsContact CZ-CG 3.46Å; F229-M233 HydrophobicContact CZ-SD 4.06Å; F229-M233 WeakPolarHBondContact O-CB 3.33Å; F229-M233 WeakPolarHBondContact O-CG 3.47Å; F229-M233 PolarHBondContact O-N 2.83Å; F229-F242 HydrophobicContact CE1-CE2 4.19Å; F229-F242 HydrophobicContact CE1-CZ 4.1Å; F229-F242 HydrophobicContact CZ-CE2 4.49Å; F229-F242 HydrophobicContact CZ-CZ 4.1Å; F229-I243 HydrophobicContact CD1-CD1 3.42Å; F229-I243 VanDerWaalsContact CD1-CD1 3.42Å; F229-I243 HydrophobicContact CD1-CG1 4.23Å; F229-I243 HydrophobicContact CD1-CG2 4.44Å; F229-I243 HydrophobicContact CE1-CD1 3.11Å; F229-I243 HydrophobicContact CE1-CG1 3.74Å; F229-I243 HydrophobicContact CZ-CD1 4.05Å
230T90.6Very high90.3Very high27 Ų2766.6 Ų66.617%0.16634%0.336CS..Hα-helixtrans-65.3-41.5176.3-57.90000111.2Y226 V227 E228 M233 W234 P240Y226-T230 WeakPolarHBondContact O-CB 3.49Å; Y226-T230 PolarHBondContact O-N 2.9Å; Y226-T230 PolarHBondContact O-OG1 3.3Å; V227-T230 WeakPolarHBondContact O-CB 3.37Å; V227-T230 PolarHBondContact O-N 3Å; V227-T230 VanDerWaalsContact O-N 3.14Å; E228-T230 VanDerWaalsContact C-N 3.31Å; E228-T230 PolarHBondContact O-N 3.07Å; T230-M233 PolarHBondContact O-N 3.33Å; T230-W234 VanDerWaalsContact O-CB 3.27Å; T230-W234 WeakPolarHBondContact O-CB 3.35Å; T230-W234 PolarHBondContact O-N 2.99Å; T230-P240 HydrophobicContact CG2-CG 4.44Å
231F91.6Very high89.8Confident140 Ų14065.7 Ų65.761%0.61434%0.337SS*.Hα-helixtrans-63.8-44.5175.2-77.9-66.5000112.1V227 E228 W234 S235V227-F231 HydrophobicContact CG1-CD2 3.73Å; V227-F231 HydrophobicContact CG1-CE2 3.39Å; V227-F231 WeakPolarHBondContact O-CD2 3.41Å; V227-F231 PolarHBondContact O-N 2.96Å; E228-F231 PolarHBondContact O-N 3.25Å; F231-W234 PolarHBondContact O-N 3.42Å; F231-S235 PolarHBondContact O-N 2.81Å
232I90.7Very high89.4Confident80 Ų8063.5 Ų63.541%0.4133%0.326SS..Hα-helixtrans-61.9-47.3176.2-64.2165000110.3L171 E228 F229 W234 S235 L236L171-I232 HydrophobicContact CD2-CG2 3.6Å; E228-I232 VanDerWaalsContact O-CG1 3.32Å; E228-I232 WeakPolarHBondContact O-CG1 3.46Å; E228-I232 PolarHBondContact O-N 3.42Å; F229-I232 PolarHBondContact O-N 3.03Å; I232-W234 PolarHBondContact O-N 3.08Å; I232-S235 WeakPolarHBondContact O-CB 3.22Å; I232-S235 PolarHBondContact O-N 3.36Å; I232-S235 PolarHBondContact O-OG 3.31Å; I232-L236 HydrophobicContact CG2-CD1 4.32Å; I232-L236 PolarHBondContact O-N 3.05Å
233M88.3Confident89.1Confident0 Ų061.3 Ų61.30%032%0.317CS..Hα-helixtrans-66.1-38.4-179.9-78.5-64.3-65.900113.1F93 F94 L171 F229 T230 S235 L236 H237 P240 F242F93-M233 HydrophobicContact CE1-CE 3.67Å; F93-M233 HydrophobicContact CZ-CE 4.12Å; F94-M233 HydrophobicContact CE1-CE 4.01Å; F94-M233 HydrophobicContact CZ-CE 3.74Å; L171-M233 HydrophobicContact CD2-SD 4.13Å; F229-M233 HydrophobicContact CD2-CG 3.87Å; F229-M233 HydrophobicContact CE1-CG 4.11Å; F229-M233 HydrophobicContact CE2-CG 3.33Å; F229-M233 HydrophobicContact CE2-SD 3.89Å; F229-M233 HydrophobicContact CG-CG 4.44Å; F229-M233 HydrophobicContact CZ-CG 3.46Å; F229-M233 VanDerWaalsContact CZ-CG 3.46Å; F229-M233 HydrophobicContact CZ-SD 4.06Å; F229-M233 WeakPolarHBondContact O-CB 3.33Å; F229-M233 WeakPolarHBondContact O-CG 3.47Å; F229-M233 PolarHBondContact O-N 2.83Å; T230-M233 PolarHBondContact O-N 3.33Å; M233-S235 PolarHBondContact O-N 3.13Å; M233-L236 PolarHBondContact O-N 3.5Å; M233-H237 PolarHBondContact O-N 3.25Å; M233-H237 VanDerWaalsContact O-O 3.09Å; M233-P240 HydrophobicContact CB-CB 4.32Å; M233-P240 HydrophobicContact CB-CG 3.92Å; M233-F242 HydrophobicContact CE-CE1 4.34Å; M233-F242 HydrophobicContact CE-CZ 4.46Å
234W89.1Confident88.9Confident167 Ų16761.7 Ų61.763%0.63333%0.327SS*.Hα-helixtrans-58.7-31.6175.2-172.5-67.7000111.9T230 F231 I232 L236 F239T230-W234 VanDerWaalsContact O-CB 3.27Å; T230-W234 WeakPolarHBondContact O-CB 3.35Å; T230-W234 PolarHBondContact O-N 2.99Å; F231-W234 PolarHBondContact O-N 3.42Å; I232-W234 PolarHBondContact O-N 3.08Å; W234-L236 VanDerWaalsContact C-N 3.35Å; W234-F239 AromaticContact CE3-CD2 3.69Å; W234-F239 HydrophobicContact CE3-CD2 3.69Å; W234-F239 HydrophobicContact CE3-CE2 4.41Å; W234-F239 HydrophobicContact CH2-CD2 4.43Å; W234-F239 HydrophobicContact CZ3-CB 4.28Å; W234-F239 AromaticContact CZ3-CD2 3.35Å; W234-F239 HydrophobicContact CZ3-CD2 3.35Å; W234-F239 AromaticContact CZ3-CE2 3.99Å; W234-F239 HydrophobicContact CZ3-CE2 3.99Å; W234-F239 HydrophobicContact CZ3-CG 4.15Å
235S88.3Confident88.6Confident93 Ų9363.1 Ų63.165%0.6532%0.323SS*.Hα-helixtrans-74.4-23.1176.7780000114F231 I232 M233F231-S235 PolarHBondContact O-N 2.81Å; I232-S235 WeakPolarHBondContact O-CB 3.22Å; I232-S235 PolarHBondContact O-N 3.36Å; I232-S235 PolarHBondContact O-OG 3.31Å; M233-S235 PolarHBondContact O-N 3.13Å
236L83.9Confident88.4Confident80 Ų8062.7 Ų62.742%0.41932%0.32SS..Hα-helixtrans-100.6-36.8-174.6-64.8174.8000112.8L171 I232 M233 W234L171-L236 HydrophobicContact CD2-CD1 4.4Å; I232-L236 HydrophobicContact CG2-CD1 4.32Å; I232-L236 PolarHBondContact O-N 3.05Å; M233-L236 PolarHBondContact O-N 3.5Å; W234-L236 VanDerWaalsContact C-N 3.35Å
237H78.2Confident88.4Confident62 Ų6263.7 Ų63.729%0.28733%0.326SS..SBendtrans-143.4163.1-174.5-77.7-68.2000110.9F93 E97 S168 M233F93-H237 HydrophobicContact CE1-CB 4.13Å; F93-H237 HydrophobicContact CZ-CB 3.68Å; E97-H237 IonicContact OE1-CE1 3.75Å; E97-H237 IonicContact OE1-NE2 2.76Å; E97-H237 PolarHBondContact OE1-NE2 3.35Å; S168-H237 VanDerWaalsContact CB-CD2 3.48Å; S168-H237 WeakPolarHBondContact CB-CD2 3.27Å; S168-H237 WeakPolarHBondContact CB-NE2 3.27Å; S168-H237 PolarHBondContact OG-NE2 3.46Å; M233-H237 PolarHBondContact O-N 3.25Å; M233-H237 VanDerWaalsContact O-O 3.09Å
238P80.5Confident88.4Confident103 Ų10367.8 Ų67.867%0.66934%0.336SS*.SBendtrans-54.9164.6170.3-22.833.4000112.8F93 P240F93-P238 WeakPolarHBondContact CE2-O 3.46Å; P238-P240 VanDerWaalsContact O-N 3.16Å
239F82.4Confident88.4Confident105 Ų10565 Ų6546%0.46133%0.325SS..  trans-41.9116.2-172.6-177-122.2000114.3W234 L241W234-F239 AromaticContact CE3-CD2 3.69Å; W234-F239 HydrophobicContact CE3-CD2 3.69Å; W234-F239 HydrophobicContact CE3-CE2 4.41Å; W234-F239 HydrophobicContact CH2-CD2 4.43Å; W234-F239 HydrophobicContact CZ3-CB 4.28Å; W234-F239 AromaticContact CZ3-CD2 3.35Å; W234-F239 HydrophobicContact CZ3-CD2 3.35Å; W234-F239 AromaticContact CZ3-CE2 3.99Å; W234-F239 HydrophobicContact CZ3-CE2 3.99Å; W234-F239 HydrophobicContact CZ3-CG 4.15Å; F239-L241 HydrophobicContact CD1-CD2 3.48Å; F239-L241 VanDerWaalsContact CD1-CD2 3.48Å; F239-L241 HydrophobicContact CD1-CG 3.8Å; F239-L241 HydrophobicContact CE1-CD2 3.36Å; F239-L241 HydrophobicContact CE1-CG 4.14Å; F239-L241 PolarHBondContact O-N 3.2Å
240P84Confident88.5Confident3 Ų365 Ų652%0.01933%0.326CS..  trans-78.280.9-174.632.3-38000111.9F93 T230 M233 P238 F242 I243F93-P240 HydrophobicContact CE2-CB 4.45Å; F93-P240 HydrophobicContact CZ-CB 4.32Å; T230-P240 HydrophobicContact CG2-CG 4.44Å; M233-P240 HydrophobicContact CB-CB 4.32Å; M233-P240 HydrophobicContact CB-CG 3.92Å; P238-P240 VanDerWaalsContact O-N 3.16Å; P240-F242 HydrophobicContact CB-CD1 4.01Å; P240-F242 HydrophobicContact CB-CE1 3.58Å; P240-F242 HydrophobicContact CB-CZ 4.29Å; P240-F242 PolarHBondContact O-N 2.71Å; P240-F242 VanDerWaalsContact O-N 3.09Å; P240-I243 HydrophobicContact CB-CD1 3.57Å; P240-I243 HydrophobicContact CB-CG1 4.12Å; P240-I243 HydrophobicContact CG-CD1 3.56Å; P240-I243 HydrophobicContact CG-CG1 4.45Å; P240-I243 PolarHBondContact O-N 3.45Å; P240-I243 VanDerWaalsContact O-N 3.14Å
241L86.1Confident88.7Confident115 Ų11567.7 Ų67.760%0.60234%0.338SS*.G310 helixtrans-56.3-27.6-177.6-75.9171000114.1F239 I243 A244F239-L241 HydrophobicContact CD1-CD2 3.48Å; F239-L241 VanDerWaalsContact CD1-CD2 3.48Å; F239-L241 HydrophobicContact CD1-CG 3.8Å; F239-L241 HydrophobicContact CE1-CD2 3.36Å; F239-L241 HydrophobicContact CE1-CG 4.14Å; F239-L241 PolarHBondContact O-N 3.2Å; L241-I243 PolarHBondContact O-N 3.11Å; L241-A244 WeakPolarHBondContact O-CB 3.34Å; L241-A244 PolarHBondContact O-N 3.2Å
242F87.7Confident89Confident12 Ų1265.9 Ų65.95%0.05333%0.327CS..G310 helixtrans-62.6-23.5-179.872.1-91.6000113.4L89 V90 F93 F94 A172 F229 M233 P240L89-F242 HydrophobicContact CB-CB 3.85Å; V90-F242 HydrophobicContact CG2-CB 4.07Å; V90-F242 HydrophobicContact CG2-CD2 3.63Å; V90-F242 HydrophobicContact CG2-CE2 4.26Å; V90-F242 HydrophobicContact CG2-CG 3.95Å; F93-F242 HydrophobicContact CB-CD1 4.28Å; F93-F242 HydrophobicContact CD1-CD1 4.26Å; F93-F242 AromaticContact CD1-CE1 3.97Å; F93-F242 HydrophobicContact CD1-CE1 3.97Å; F93-F242 HydrophobicContact CD2-CD1 4.38Å; F93-F242 HydrophobicContact CE1-CE1 4.16Å; F93-F242 HydrophobicContact CG-CD1 4.05Å; F93-F242 HydrophobicContact CG-CE1 4.23Å; F94-F242 AromaticContact CE2-CE1 3.94Å; F94-F242 HydrophobicContact CE2-CE1 3.94Å; F94-F242 HydrophobicContact CE2-CZ 4.01Å; F94-F242 HydrophobicContact CZ-CE1 4.02Å; F94-F242 HydrophobicContact CZ-CZ 4.11Å; A172-F242 HydrophobicContact CB-CZ 4.38Å; F229-F242 HydrophobicContact CE1-CE2 4.19Å; F229-F242 HydrophobicContact CE1-CZ 4.1Å; F229-F242 HydrophobicContact CZ-CE2 4.49Å; F229-F242 HydrophobicContact CZ-CZ 4.1Å; M233-F242 HydrophobicContact CE-CE1 4.34Å; M233-F242 HydrophobicContact CE-CZ 4.46Å; P240-F242 HydrophobicContact CB-CD1 4.01Å; P240-F242 HydrophobicContact CB-CE1 3.58Å; P240-F242 HydrophobicContact CB-CZ 4.29Å; P240-F242 PolarHBondContact O-N 2.71Å; P240-F242 VanDerWaalsContact O-N 3.09Å
243I90.7Very high89.1Confident4 Ų464.5 Ų64.52%0.02133%0.325CS..G310 helixtrans-87.1-17.4-178.4-45.9166.3000111.7Y226 F229 P240 L241 R245 P246 I247Y226-I243 HydrophobicContact CD1-CG2 3.89Å; Y226-I243 HydrophobicContact CE1-CG2 4.37Å; F229-I243 HydrophobicContact CD1-CD1 3.42Å; F229-I243 VanDerWaalsContact CD1-CD1 3.42Å; F229-I243 HydrophobicContact CD1-CG1 4.23Å; F229-I243 HydrophobicContact CD1-CG2 4.44Å; F229-I243 HydrophobicContact CE1-CD1 3.11Å; F229-I243 HydrophobicContact CE1-CG1 3.74Å; F229-I243 HydrophobicContact CZ-CD1 4.05Å; P240-I243 HydrophobicContact CB-CD1 3.57Å; P240-I243 HydrophobicContact CB-CG1 4.12Å; P240-I243 HydrophobicContact CG-CD1 3.56Å; P240-I243 HydrophobicContact CG-CG1 4.45Å; P240-I243 PolarHBondContact O-N 3.45Å; P240-I243 VanDerWaalsContact O-N 3.14Å; L241-I243 PolarHBondContact O-N 3.11Å; I243-R245 VanDerWaalsContact C-N 3.31Å; I243-R245 PolarHBondContact O-N 3.35Å; I243-P246 VanDerWaalsContact O-CD 3.27Å; I243-P246 WeakPolarHBondContact O-CD 3.48Å; I243-I247 HydrophobicContact CB-CD1 4.27Å; I243-I247 HydrophobicContact CG2-CD1 3.52Å; I243-I247 HydrophobicContact CG2-CG1 3.88Å; I243-I247 WeakPolarHBondContact O-CG1 3.34Å; I243-I247 PolarHBondContact O-N 3.48Å
244A90.4Very high89.4Confident48 Ų4865.4 Ų65.440%0.39733%0.329SS..Hα-helixtrans-58.8-41.3-172.400000112.7L241 Y248L241-A244 WeakPolarHBondContact O-CB 3.34Å; L241-A244 PolarHBondContact O-N 3.2Å; A244-Y248 WeakPolarHBondContact O-CB 3.42Å; A244-Y248 PolarHBondContact O-N 2.78Å
245R90.8Very high89.7Confident73 Ų7363.5 Ų63.528%0.27533%0.326SS..Hα-helixtrans-69-51.4179.4173.2179.3178-126.8-8.3112.5Y82 D86 I243 I247 Y248 L249Y82-R245 PolarHBondContact O-NH1 3.22Å; D86-R245 WeakPolarHBondContact OD1-CD 3.44Å; D86-R245 IonicContact OD1-CZ 2.84Å; D86-R245 IonicContact OD1-NH1 3.41Å; D86-R245 PolarHBondContact OD1-NH1 2.93Å; D86-R245 IonicContact OD2-NH1 3.52Å; D86-R245 PolarHBondContact OD2-NH1 2.8Å; D86-R245 VanDerWaalsContact OD2-NH1 3.15Å; I243-R245 VanDerWaalsContact C-N 3.31Å; I243-R245 PolarHBondContact O-N 3.35Å; R245-I247 VanDerWaalsContact C-N 3.26Å; R245-I247 PolarHBondContact O-N 2.93Å; R245-Y248 PolarHBondContact O-N 3.3Å; R245-L249 HydrophobicContact CG-CD1 4.13Å; R245-L249 HydrophobicContact CG-CG 4.49Å; R245-L249 WeakPolarHBondContact O-CG 3.4Å; R245-L249 PolarHBondContact O-N 3.44Å
246P90.7Very high90Very high15 Ų1564 Ų6410%0.09732%0.316CS..Hα-helixtrans-52.9-40.1172.2-28.932.4000114.2Y226 I243 S250Y226-P246 HydrophobicContact CE1-CB 4.23Å; Y226-P246 HydrophobicContact CE2-CB 4.19Å; I243-P246 VanDerWaalsContact O-CD 3.27Å; I243-P246 WeakPolarHBondContact O-CD 3.48Å; P246-S250 WeakPolarHBondContact O-CB 3.44Å; P246-S250 PolarHBondContact O-N 3.35Å; P246-S250 PolarHBondContact O-OG 2.95Å
247I93.2Very high90.5Very high33 Ų3360.7 Ų60.717%0.16930%0.3CS..Hα-helixtrans-63.8-51.2175.5-73.5166.3000110.9L223 Y226 I243 R245 L249 S250 I251L223-I247 HydrophobicContact CD1-CG2 4.37Å; Y226-I247 HydrophobicContact CD2-CG1 4.32Å; Y226-I247 HydrophobicContact CG-CG1 4Å; I243-I247 HydrophobicContact CB-CD1 4.27Å; I243-I247 HydrophobicContact CG2-CD1 3.52Å; I243-I247 HydrophobicContact CG2-CG1 3.88Å; I243-I247 WeakPolarHBondContact O-CG1 3.34Å; I243-I247 PolarHBondContact O-N 3.48Å; R245-I247 VanDerWaalsContact C-N 3.26Å; R245-I247 PolarHBondContact O-N 2.93Å; I247-L249 VanDerWaalsContact C-N 3.3Å; I247-L249 PolarHBondContact O-N 3.04Å; I247-S250 PolarHBondContact O-N 2.96Å; I247-S250 VanDerWaalsContact O-N 3.12Å; I247-I251 HydrophobicContact CG2-CD1 3.68Å; I247-I251 HydrophobicContact CG2-CG1 4.34Å; I247-I251 WeakPolarHBondContact O-CG1 3.27Å; I247-I251 PolarHBondContact O-N 3.29Å
248Y94.3Very high91.3Very high140 Ų14061.2 Ų61.255%0.54930%0.304SS..Hα-helixtrans-57-44.6179.5170.2-99.3000111.9A244 R245 S250 I251 R252A244-Y248 WeakPolarHBondContact O-CB 3.42Å; A244-Y248 PolarHBondContact O-N 2.78Å; R245-Y248 PolarHBondContact O-N 3.3Å; Y248-S250 VanDerWaalsContact C-N 3.35Å; Y248-I251 PolarHBondContact O-N 2.89Å; Y248-R252 WeakPolarHBondContact O-CB 3.48Å; Y248-R252 PolarHBondContact O-N 3.15Å
249L93Very high91.9Very high61 Ų6162.3 Ų62.332%0.31930%0.295SS..Hα-helixtrans-64.8-39.5178-67.3177.3000111.6R245 I247 R252 S253R245-L249 HydrophobicContact CG-CD1 4.13Å; R245-L249 HydrophobicContact CG-CG 4.49Å; R245-L249 WeakPolarHBondContact O-CG 3.4Å; R245-L249 PolarHBondContact O-N 3.44Å; I247-L249 VanDerWaalsContact C-N 3.3Å; I247-L249 PolarHBondContact O-N 3.04Å; L249-R252 PolarHBondContact O-N 3.38Å; L249-S253 WeakPolarHBondContact O-CB 3.44Å; L249-S253 PolarHBondContact O-N 2.87Å; L249-S253 PolarHBondContact O-OG 3.35Å
250S93.5Very high92.4Very high5 Ų560.5 Ų60.54%0.03529%0.29CS..Hα-helixtrans-66.1-40176.6-60.30000112.5R222 P246 I247 Y248 S253 L254R222-S250 WeakPolarHBondContact CD-OG 3.48Å; P246-S250 WeakPolarHBondContact O-CB 3.44Å; P246-S250 PolarHBondContact O-N 3.35Å; P246-S250 PolarHBondContact O-OG 2.95Å; I247-S250 PolarHBondContact O-N 2.96Å; I247-S250 VanDerWaalsContact O-N 3.12Å; Y248-S250 VanDerWaalsContact C-N 3.35Å; S250-S253 WeakPolarHBondContact CA-OG 3.14Å; S250-S253 PolarHBondContact O-OG 2.96Å; S250-L254 VanDerWaalsContact O-CB 3.29Å; S250-L254 WeakPolarHBondContact O-CB 3.36Å; S250-L254 PolarHBondContact O-N 2.85Å
251I96.3Very high92.7Very high82 Ų8260.9 Ų60.942%0.42129%0.292SS..Hα-helixtrans-64.8-44.4174-66.9168.8000110.2L223 I247 Y248 L254 K255L223-I251 HydrophobicContact CD1-CD1 4.25Å; L223-I251 HydrophobicContact CD1-CG1 3.72Å; L223-I251 HydrophobicContact CD2-CG1 4.22Å; I247-I251 HydrophobicContact CG2-CD1 3.68Å; I247-I251 HydrophobicContact CG2-CG1 4.34Å; I247-I251 WeakPolarHBondContact O-CG1 3.27Å; I247-I251 PolarHBondContact O-N 3.29Å; Y248-I251 PolarHBondContact O-N 2.89Å; I251-L254 PolarHBondContact O-N 3.42Å; I251-K255 VanDerWaalsContact O-CB 3.28Å; I251-K255 WeakPolarHBondContact O-CB 3.29Å; I251-K255 PolarHBondContact O-N 3.02Å
252R96.3Very high93Very high102 Ų10260.2 Ų60.239%0.38529%0.288SS..Hα-helixtrans-63.2-42.7178.8-177.5178.5174.1174.2-2.1111.6Y248 L249 K256Y248-R252 WeakPolarHBondContact O-CB 3.48Å; Y248-R252 PolarHBondContact O-N 3.15Å; L249-R252 PolarHBondContact O-N 3.38Å; R252-K256 WeakPolarHBondContact O-CB 3.37Å; R252-K256 PolarHBondContact O-N 3.31Å
253S93.1Very high93.1Very high51 Ų5163.3 Ų63.336%0.35730%0.304SS..Hα-helixtrans-66.9-43.4177.664.70000111.5L249 S250 K256 A257L249-S253 WeakPolarHBondContact O-CB 3.44Å; L249-S253 PolarHBondContact O-N 2.87Å; L249-S253 PolarHBondContact O-OG 3.35Å; S250-S253 WeakPolarHBondContact CA-OG 3.14Å; S250-S253 PolarHBondContact O-OG 2.96Å; S253-K256 WeakPolarHBondContact O-CB 3.44Å; S253-K256 PolarHBondContact O-N 3.47Å; S253-A257 PolarHBondContact O-N 2.93Å
254L95.4Very high93Very high19 Ų1963.2 Ų63.210%0.09930%0.303CS..Hα-helixtrans-63.3-44.9176.3-178.760.1000111.5I216 L223 S250 I251 K256 A257 I258I216-L254 HydrophobicContact CG2-CD1 4.3Å; L223-L254 HydrophobicContact CD2-CD2 4.23Å; S250-L254 VanDerWaalsContact O-CB 3.29Å; S250-L254 WeakPolarHBondContact O-CB 3.36Å; S250-L254 PolarHBondContact O-N 2.85Å; I251-L254 PolarHBondContact O-N 3.42Å; L254-K256 VanDerWaalsContact C-N 3.27Å; L254-K256 PolarHBondContact O-N 2.88Å; L254-A257 PolarHBondContact O-N 3.4Å; L254-I258 HydrophobicContact CD1-CD1 3.97Å; L254-I258 HydrophobicContact CD1-CG1 4.16Å; L254-I258 HydrophobicContact CG-CD1 3.84Å; L254-I258 HydrophobicContact CG-CG1 4.44Å; L254-I258 WeakPolarHBondContact O-CB 3.46Å; L254-I258 VanDerWaalsContact O-CG1 3.3Å; L254-I258 WeakPolarHBondContact O-CG1 3.33Å; L254-I258 PolarHBondContact O-N 3.12Å
255K96.1Very high93Very high127 Ų12766.7 Ų66.755%0.55231%0.306SS*.Hα-helixtrans-60.2-37.9174.9-177.3175.9-179.6174.20111.8I251 R259I251-K255 VanDerWaalsContact O-CB 3.28Å; I251-K255 WeakPolarHBondContact O-CB 3.29Å; I251-K255 PolarHBondContact O-N 3.02Å; K255-R259 WeakPolarHBondContact O-CB 3.3Å; K255-R259 VanDerWaalsContact O-CG 3.27Å; K255-R259 WeakPolarHBondContact O-CG 3.32Å; K255-R259 PolarHBondContact O-N 3.27Å; K255-R259 VanDerWaalsContact O-N 3.11Å; K255-R259 PolarHBondContact O-NE 3.2Å
256K94.6Very high93Very high105 Ų10567.4 Ų67.446%0.45731%0.309SS..Hα-helixtrans-63.3-54.1173.4-175.9-176.3174.3-172.30110.4R252 S253 L254 I258 R259 D260R252-K256 WeakPolarHBondContact O-CB 3.37Å; R252-K256 PolarHBondContact O-N 3.31Å; S253-K256 WeakPolarHBondContact O-CB 3.44Å; S253-K256 PolarHBondContact O-N 3.47Å; L254-K256 VanDerWaalsContact C-N 3.27Å; L254-K256 PolarHBondContact O-N 2.88Å; K256-I258 PolarHBondContact O-N 2.98Å; K256-R259 WeakPolarHBondContact O-CB 3.1Å; K256-R259 PolarHBondContact O-N 3.12Å; K256-R259 VanDerWaalsContact O-N 3.09Å; K256-D260 PolarHBondContact O-N 3.34Å
257A93Very high92.9Very high9 Ų966.7 Ų66.77%0.07430%0.304CS..Hα-helixtrans-58.5-42.4-179.200000113.1D215 I216 S253 L254 D260 M261D215-A257 HydrophobicContact CB-CB 4.3Å; I216-A257 HydrophobicContact CG1-CB 3.86Å; S253-A257 PolarHBondContact O-N 2.93Å; L254-A257 PolarHBondContact O-N 3.4Å; A257-D260 PolarHBondContact O-N 3.14Å; A257-M261 WeakPolarHBondContact O-CB 3.49Å; A257-M261 PolarHBondContact O-N 3.23Å
258I95Very high92.5Very high73 Ų7366.2 Ų66.237%0.37430%0.302SS..Hα-helixtrans-62.9-45.3175.4-67.5169000110.8I216 L254 K256 D260 M261 L262I216-I258 HydrophobicContact CD1-CG1 4.42Å; I216-I258 HydrophobicContact CG1-CG1 4.3Å; L254-I258 HydrophobicContact CD1-CD1 3.97Å; L254-I258 HydrophobicContact CD1-CG1 4.16Å; L254-I258 HydrophobicContact CG-CD1 3.84Å; L254-I258 HydrophobicContact CG-CG1 4.44Å; L254-I258 WeakPolarHBondContact O-CB 3.46Å; L254-I258 VanDerWaalsContact O-CG1 3.3Å; L254-I258 WeakPolarHBondContact O-CG1 3.33Å; L254-I258 PolarHBondContact O-N 3.12Å; K256-I258 PolarHBondContact O-N 2.98Å; I258-D260 VanDerWaalsContact C-N 3.35Å; I258-D260 PolarHBondContact O-N 3.43Å; I258-M261 PolarHBondContact O-N 3.42Å; I258-L262 HydrophobicContact CG2-CD1 3.97Å; I258-L262 HydrophobicContact CG2-CG 4.34Å; I258-L262 VanDerWaalsContact O-CG 3.3Å; I258-L262 WeakPolarHBondContact O-CG 3.22Å; I258-L262 PolarHBondContact O-N 2.88Å
259R94Very high92.3Very high126 Ų12667.5 Ų67.548%0.47531%0.306SS..Hα-helixtrans-60.7-45.6176.6-77.1-174.7-57.4-165.44.5110.9K255 K256 M261 L262 M263K255-R259 WeakPolarHBondContact O-CB 3.3Å; K255-R259 VanDerWaalsContact O-CG 3.27Å; K255-R259 WeakPolarHBondContact O-CG 3.32Å; K255-R259 PolarHBondContact O-N 3.27Å; K255-R259 VanDerWaalsContact O-N 3.11Å; K255-R259 PolarHBondContact O-NE 3.2Å; K256-R259 WeakPolarHBondContact O-CB 3.1Å; K256-R259 PolarHBondContact O-N 3.12Å; K256-R259 VanDerWaalsContact O-N 3.09Å; R259-M261 VanDerWaalsContact C-N 3.3Å; R259-M261 PolarHBondContact O-N 3.28Å; R259-L262 PolarHBondContact O-N 2.7Å; R259-M263 VanDerWaalsContact O-CB 3.23Å; R259-M263 WeakPolarHBondContact O-CB 3.49Å; R259-M263 WeakPolarHBondContact O-CG 3.26Å; R259-M263 PolarHBondContact O-N 2.99Å
260D91.4Very high92Very high68 Ų6866.5 Ų66.536%0.36430%0.298SS..Hα-helixtrans-63.3-37.7-179.6-62.5-13.2000111.1L212 K256 A257 I258 S264L212-D260 HydrophobicContact CD2-CB 3.94Å; K256-D260 PolarHBondContact O-N 3.34Å; A257-D260 PolarHBondContact O-N 3.14Å; I258-D260 VanDerWaalsContact C-N 3.35Å; I258-D260 PolarHBondContact O-N 3.43Å; D260-S264 WeakPolarHBondContact O-CB 3.43Å; D260-S264 PolarHBondContact O-N 2.93Å; D260-S264 PolarHBondContact O-OG 2.95Å
261M91.4Very high91.6Very high11 Ų1166.3 Ų66.35%0.05430%0.296CS..Hα-helixtrans-68.3-43.6173.8176.479.3-48.200113.2T209 L212 Y213 I216 A257 I258 R259 M263 S264 R265T209-M261 HydrophobicContact CG2-CE 4.18Å; L212-M261 HydrophobicContact CB-CE 4.17Å; L212-M261 HydrophobicContact CB-SD 4.45Å; L212-M261 HydrophobicContact CD1-CE 3.68Å; Y213-M261 HydrophobicContact CD1-SD 3.89Å; Y213-M261 HydrophobicContact CE1-CG 4.44Å; Y213-M261 HydrophobicContact CE1-SD 3.33Å; Y213-M261 WeakPolarHBondContact CE1-SD 3.48Å; I216-M261 HydrophobicContact CD1-CB 3.72Å; I216-M261 HydrophobicContact CD1-CG 4.04Å; A257-M261 WeakPolarHBondContact O-CB 3.49Å; A257-M261 PolarHBondContact O-N 3.23Å; I258-M261 PolarHBondContact O-N 3.42Å; R259-M261 VanDerWaalsContact C-N 3.3Å; R259-M261 PolarHBondContact O-N 3.28Å; M261-M263 VanDerWaalsContact C-N 3.3Å; M261-M263 PolarHBondContact O-N 3.06Å; M261-S264 WeakPolarHBondContact CA-OG 3.35Å; M261-S264 WeakPolarHBondContact CE-OG 3.27Å; M261-S264 PolarHBondContact O-OG 3.11Å; M261-R265 HydrophobicContact CE-CG 4.35Å; M261-R265 WeakPolarHBondContact O-CB 3.36Å; M261-R265 WeakPolarHBondContact O-CG 3.24Å; M261-R265 PolarHBondContact O-N 3.47Å; M261-R265 HydrophobicContact SD-CG 4.48Å
262L92.5Very high91.1Very high100 Ų10066.5 Ų66.552%0.52430%0.299SS..Hα-helixtrans-64.8-39.1176.7-70.1175.2000111.5I258 R259 R266I258-L262 HydrophobicContact CG2-CD1 3.97Å; I258-L262 HydrophobicContact CG2-CG 4.34Å; I258-L262 VanDerWaalsContact O-CG 3.3Å; I258-L262 WeakPolarHBondContact O-CG 3.22Å; I258-L262 PolarHBondContact O-N 2.88Å; R259-L262 PolarHBondContact O-N 2.7Å; L262-R266 VanDerWaalsContact O-CB 3.28Å; L262-R266 WeakPolarHBondContact O-CB 3.5Å; L262-R266 PolarHBondContact O-N 3.2Å
263M89.8Confident90.6Very high77 Ų7767 Ų6738%0.37931%0.313SS..Hα-helixtrans-66.6-45.2178.1-76.8-53.2-178.300111.8R259 M261 R266 A267 Q335R259-M263 VanDerWaalsContact O-CB 3.23Å; R259-M263 WeakPolarHBondContact O-CB 3.49Å; R259-M263 WeakPolarHBondContact O-CG 3.26Å; R259-M263 PolarHBondContact O-N 2.99Å; M261-M263 VanDerWaalsContact C-N 3.3Å; M261-M263 PolarHBondContact O-N 3.06Å; M263-R266 PolarHBondContact O-N 2.9Å; M263-A267 WeakPolarHBondContact O-CB 3.44Å; M263-A267 PolarHBondContact O-N 3.45Å; M263-Q335 VanDerWaalsContact CB-NE2 3.33Å; M263-Q335 PolarHBondContact O-NE2 2.99Å; M263-Q335 VanDerWaalsContact O-NE2 3.07Å
264S88.4Confident90.2Very high2 Ų267.7 Ų67.71%0.01432%0.315CS..Hα-helixtrans-65.8-41.7174.952.80000112.3D260 M261 R266 A267 I268D260-S264 WeakPolarHBondContact O-CB 3.43Å; D260-S264 PolarHBondContact O-N 2.93Å; D260-S264 PolarHBondContact O-OG 2.95Å; M261-S264 WeakPolarHBondContact CA-OG 3.35Å; M261-S264 WeakPolarHBondContact CE-OG 3.27Å; M261-S264 PolarHBondContact O-OG 3.11Å; S264-R266 VanDerWaalsContact C-N 3.32Å; S264-R266 PolarHBondContact O-N 3.26Å; S264-A267 PolarHBondContact O-N 2.94Å; S264-I268 VanDerWaalsContact O-CG1 3.28Å; S264-I268 WeakPolarHBondContact O-CG1 3.5Å; S264-I268 PolarHBondContact O-N 2.96Å
265R90.1Very high89.6Confident122 Ų12267.2 Ų67.246%0.4631%0.312SS..Hα-helixtrans-60.6-40.1173-76-176.4177.4-162.4-0.3112.4Y213 M261 R269Y213-R265 PolarHBondContact OH-NH2 2.92Å; M261-R265 HydrophobicContact CE-CG 4.35Å; M261-R265 WeakPolarHBondContact O-CB 3.36Å; M261-R265 WeakPolarHBondContact O-CG 3.24Å; M261-R265 PolarHBondContact O-N 3.47Å; M261-R265 HydrophobicContact SD-CG 4.48Å; R265-R269 WeakPolarHBondContact O-CG 3.27Å; R265-R269 PolarHBondContact O-N 2.94Å; R265-R269 VanDerWaalsContact O-N 3.1Å
266R90.2Very high89.1Confident88 Ų8868.9 Ų68.933%0.33232%0.315SS..Hα-helixtrans-65-47175.4-178.7-178.6-70.5167.61.5110.6L262 M263 S264 I268 R269 Y270L262-R266 VanDerWaalsContact O-CB 3.28Å; L262-R266 WeakPolarHBondContact O-CB 3.5Å; L262-R266 PolarHBondContact O-N 3.2Å; M263-R266 PolarHBondContact O-N 2.9Å; S264-R266 VanDerWaalsContact C-N 3.32Å; S264-R266 PolarHBondContact O-N 3.26Å; R266-I268 PolarHBondContact O-N 3.36Å; R266-R269 PolarHBondContact O-N 2.92Å; R266-Y270 HydrophobicContact CG-CD2 3.74Å; R266-Y270 HydrophobicContact CG-CE2 3.76Å; R266-Y270 WeakPolarHBondContact O-CD2 3.28Å; R266-Y270 PolarHBondContact O-N 2.75Å
267A88.2Confident88.6Confident0 Ų068.1 Ų68.10%032%0.316CS..Hα-helixtrans-59.6-45179.200000112.2M263 S264 R269 Y270 M271 F331 Q335 I345M263-A267 WeakPolarHBondContact O-CB 3.44Å; M263-A267 PolarHBondContact O-N 3.45Å; S264-A267 PolarHBondContact O-N 2.94Å; A267-R269 PolarHBondContact O-N 3.41Å; A267-Y270 PolarHBondContact O-N 2.85Å; A267-M271 WeakPolarHBondContact O-CB 3.31Å; A267-M271 PolarHBondContact O-N 3.24Å; A267-F331 HydrophobicContact CB-CB 3.94Å; A267-F331 HydrophobicContact CB-CG 4.33Å; A267-Q335 HydrophobicContact CB-CG 4.35Å; A267-I345 HydrophobicContact CB-CD1 3.57Å
268I86.2Confident88Confident22 Ų2268.2 Ų68.211%0.11332%0.316CS..Hα-helixtrans-63.8-39.8176.7-65167.2000111.3S264 R266 M271 N272 R328 Q332S264-I268 VanDerWaalsContact O-CG1 3.28Å; S264-I268 WeakPolarHBondContact O-CG1 3.5Å; S264-I268 PolarHBondContact O-N 2.96Å; R266-I268 PolarHBondContact O-N 3.36Å; I268-M271 HydrophobicContact CG2-CE 4.46Å; I268-M271 PolarHBondContact O-N 3.38Å; I268-N272 VanDerWaalsContact O-CG 3.32Å; I268-N272 PolarHBondContact O-N 2.94Å; I268-R328 HydrophobicContact CD1-CG 4.47Å; I268-R328 HydrophobicContact CG1-CG 4.26Å; I268-Q332 HydrophobicContact CD1-CG 3.99Å
269R88.6Confident87.4Confident168 Ų16866.3 Ų66.363%0.63431%0.308SS*.Hα-helixtrans-62.5-50.2175-78.2-168.8-70.3171.5-3.7111.8R265 R266 A267 M271 N272 T273R265-R269 WeakPolarHBondContact O-CG 3.27Å; R265-R269 PolarHBondContact O-N 2.94Å; R265-R269 VanDerWaalsContact O-N 3.1Å; R266-R269 PolarHBondContact O-N 2.92Å; A267-R269 PolarHBondContact O-N 3.41Å; R269-M271 VanDerWaalsContact C-N 3.25Å; R269-M271 PolarHBondContact O-N 3.15Å; R269-N272 PolarHBondContact O-N 2.95Å; R269-N272 VanDerWaalsContact O-N 3.12Å; R269-T273 PolarHBondContact O-N 3.48Å; R269-T273 PolarHBondContact O-OG1 3.36Å; R269-T273 VanDerWaalsContact O-OG1 3.06Å
270Y87.1Confident86.5Confident40 Ų4064.4 Ų64.416%0.15731%0.312CS..Hα-helixtrans-57.5-40.4176-91-81.8000111.9R266 A267 N272 T273 V274 F275 I345 R349R266-Y270 HydrophobicContact CG-CD2 3.74Å; R266-Y270 HydrophobicContact CG-CE2 3.76Å; R266-Y270 WeakPolarHBondContact O-CD2 3.28Å; R266-Y270 PolarHBondContact O-N 2.75Å; A267-Y270 PolarHBondContact O-N 2.85Å; Y270-N272 VanDerWaalsContact C-N 3.33Å; Y270-N272 PolarHBondContact O-N 2.65Å; Y270-T273 PolarHBondContact O-N 3.47Å; Y270-V274 HydrophobicContact CD1-CB 4.23Å; Y270-V274 HydrophobicContact CD1-CG2 3.57Å; Y270-V274 HydrophobicContact CE1-CG2 4.08Å; Y270-V274 WeakPolarHBondContact O-CA 3.45Å; Y270-V274 WeakPolarHBondContact O-CB 3.45Å; Y270-V274 PolarHBondContact O-N 3.31Å; Y270-F275 PolarHBondContact O-N 2.93Å; Y270-I345 HydrophobicContact CD2-CG2 4.03Å; Y270-I345 HydrophobicContact CE2-CG2 4.11Å; Y270-I345 HydrophobicContact CG-CG2 4.37Å; Y270-R349 HydrophobicContact CE1-CG 4.19Å; Y270-R349 WeakPolarHBondContact OH-CG 3.42Å; Y270-R349 PolarHBondContact OH-NE 2.83Å
271M86Confident85.9Confident0 Ų067 Ų670%033%0.326CS..Hα-helixtrans-61.6-40.2176.9-175.5-164.670.100112.8A267 I268 R269 F275 K314 F324 L327 R328 F331A267-M271 WeakPolarHBondContact O-CB 3.31Å; A267-M271 PolarHBondContact O-N 3.24Å; I268-M271 HydrophobicContact CG2-CE 4.46Å; I268-M271 PolarHBondContact O-N 3.38Å; R269-M271 VanDerWaalsContact C-N 3.25Å; R269-M271 PolarHBondContact O-N 3.15Å; M271-F275 VanDerWaalsContact CA-CD2 3.47Å; M271-F275 HydrophobicContact CB-CD2 4.01Å; M271-F275 HydrophobicContact CB-CE2 4.24Å; M271-F275 HydrophobicContact CG-CD2 4.1Å; M271-K314 HydrophobicContact CG-CD 3.61Å; M271-K314 WeakPolarHBondContact O-CE 3.33Å; M271-K314 PolarHBondContact O-NZ 3.2Å; M271-K314 VanDerWaalsContact O-NZ 3.16Å; M271-K314 HydrophobicContact SD-CD 4.38Å; M271-F324 HydrophobicContact CE-CD2 3.97Å; M271-F324 HydrophobicContact CE-CE1 4.45Å; M271-F324 HydrophobicContact CE-CE2 3.34Å; M271-F324 HydrophobicContact CE-CZ 3.62Å; M271-F324 HydrophobicContact SD-CD2 4.48Å; M271-F324 HydrophobicContact SD-CE2 4.38Å; M271-L327 HydrophobicContact CG-CD2 3.97Å; M271-L327 HydrophobicContact SD-CB 4.33Å; M271-L327 HydrophobicContact SD-CD2 4.05Å; M271-L327 HydrophobicContact SD-CG 4.05Å; M271-R328 HydrophobicContact CE-CB 3.89Å; M271-R328 HydrophobicContact CE-CG 4.04Å; M271-R328 HydrophobicContact SD-CB 4.01Å; M271-F331 HydrophobicContact CB-CD2 4.06Å; M271-F331 HydrophobicContact CB-CE2 4.14Å; M271-F331 HydrophobicContact CG-CD2 4.22Å; M271-F331 HydrophobicContact CG-CE2 4.18Å; M271-F331 HydrophobicContact SD-CD2 4.12Å
272N86.2Confident85.4Confident87 Ų8767.7 Ų67.747%0.46533%0.33SS..Hα-helixtrans-77.5-30.6-179.6-68.8-14.8000113.3I268 R269 Y270 F324I268-N272 VanDerWaalsContact O-CG 3.32Å; I268-N272 PolarHBondContact O-N 2.94Å; R269-N272 PolarHBondContact O-N 2.95Å; R269-N272 VanDerWaalsContact O-N 3.12Å; Y270-N272 VanDerWaalsContact C-N 3.33Å; Y270-N272 PolarHBondContact O-N 2.65Å; N272-F324 WeakPolarHBondContact OD1-CE2 3.48Å; N272-F324 WeakPolarHBondContact OD1-CZ 3.17Å
273T86.1Confident84.8Confident113 Ų11364 Ų6469%0.69331%0.311SS*.Hα-helixtrans-104.2-28.3-172.1630000114.7R269 Y270R269-T273 PolarHBondContact O-N 3.48Å; R269-T273 PolarHBondContact O-OG1 3.36Å; R269-T273 VanDerWaalsContact O-OG1 3.06Å; Y270-T273 PolarHBondContact O-N 3.47Å
274V83.6Confident84.2Confident64 Ų6464.6 Ų64.639%0.38833%0.328SS..THydrogen-bonded Turntrans-109.2-37.8-170.8-1760000112.4Y270 R276 A348Y270-V274 HydrophobicContact CD1-CB 4.23Å; Y270-V274 HydrophobicContact CD1-CG2 3.57Å; Y270-V274 HydrophobicContact CE1-CG2 4.08Å; Y270-V274 WeakPolarHBondContact O-CA 3.45Å; Y270-V274 WeakPolarHBondContact O-CB 3.45Å; Y270-V274 PolarHBondContact O-N 3.31Å; V274-R276 PolarHBondContact O-N 2.86Å; V274-A348 HydrophobicContact CG1-CB 4.27Å
275F83.8Confident83.7Confident9 Ų969 Ų694%0.03936%0.359CS..SBendtrans-82119.3-177.4-55.2-28.3000110.9Y270 M271 K314 P317 F331 V344 A348Y270-F275 PolarHBondContact O-N 2.93Å; M271-F275 VanDerWaalsContact CA-CD2 3.47Å; M271-F275 HydrophobicContact CB-CD2 4.01Å; M271-F275 HydrophobicContact CB-CE2 4.24Å; M271-F275 HydrophobicContact CG-CD2 4.1Å; F275-K314 PolarHBondContact O-NZ 3.44Å; F275-P317 HydrophobicContact CD1-CG 4.07Å; F275-P317 HydrophobicContact CE1-CG 3.73Å; F275-F331 HydrophobicContact CD2-CE2 4.09Å; F275-F331 AromaticContact CE2-CE2 3.56Å; F275-F331 HydrophobicContact CE2-CE2 3.56Å; F275-F331 AromaticContact CE2-CZ 3.93Å; F275-F331 HydrophobicContact CE2-CZ 3.93Å; F275-V344 HydrophobicContact CE1-CG1 3.86Å; F275-V344 HydrophobicContact CE2-CG1 3.92Å; F275-V344 HydrophobicContact CZ-CB 4.45Å; F275-V344 HydrophobicContact CZ-CG1 3.37Å; F275-A348 HydrophobicContact CE1-CB 3.97Å
276R84.1Confident83Confident163 Ų16364.5 Ų64.562%0.61535%0.346SS*.PPolyproline II helixtrans-63.4143.1175.8-166.3-168.1174.6-175.2-0.5110V274 R315V274-R276 PolarHBondContact O-N 2.86Å; R276-R315 PolarHBondContact O-N 2.97Å; R276-R315 VanDerWaalsContact O-N 3.08Å
277D84.7Confident82.1Confident88 Ų8865.7 Ų65.747%0.47137%0.368SS..BIsolated β-bridgetrans-72.6139.2169.3-57-32.2000109.3L313 K314D277-L313 CarbonylContact C-O 3.56Å; D277-L313 VanDerWaalsContact CA-O 3.3Å; D277-L313 WeakPolarHBondContact CA-O 3.16Å; D277-K314 IonicContact OD1-NZ 2.74Å; D277-K314 PolarHBondContact OD1-NZ 3.48Å
278A81.3Confident81.5Confident11 Ų1169.4 Ų69.49%0.09139%0.388CS..PPolyproline II helixtrans-71.6132.8-173.800000110.7D282 L313 R315 I321A278-D282 HydrophobicContact CB-CB 4.42Å; A278-L313 HydrophobicContact CB-CB 3.89Å; A278-L313 PolarHBondContact N-O 3.3Å; A278-R315 HydrophobicContact CB-CB 4.26Å; A278-I321 HydrophobicContact CB-CD1 4.24Å; A278-I321 HydrophobicContact CB-CG1 4.48Å; A278-I321 HydrophobicContact CB-CG2 3.93Å
279T81.1Confident81.3Confident34 Ų3471.7 Ų71.721%0.20940%0.403CS..PPolyproline II helixtrans-82.1161.5172.2580000110.8D281 D282 L283T279-D281 PolarHBondContact O-N 3.17Å; T279-D282 PolarHBondContact N-OD2 3.3Å; T279-D282 WeakPolarHBondContact O-CB 3.42Å; T279-D282 PolarHBondContact O-N 3.37Å; T279-D282 VanDerWaalsContact OG1-CG 3.25Å; T279-D282 PolarHBondContact OG1-N 2.93Å; T279-D282 PolarHBondContact OG1-OD2 2.85Å; T279-L283 PolarHBondContact O-N 3.38Å; T279-L283 VanDerWaalsContact O-N 3.12Å
280P75.6Confident81.3Confident85 Ų8567.1 Ų67.155%0.55239%0.393SS*.Hα-helixtrans-56-34.4172.321.7-33.4000113.4L283 A284 L300P280-L283 PolarHBondContact O-N 2.96Å; P280-A284 WeakPolarHBondContact O-CB 3.28Å; P280-A284 PolarHBondContact O-N 2.91Å; P280-L300 HydrophobicContact CB-CD1 3.69Å; P280-L300 HydrophobicContact CG-CD1 4.44Å
281D79.5Confident81.4Confident122 Ų12265.3 Ų65.365%0.65239%0.386SS*.Hα-helixtrans-67.4-35.6174.9-50.9-47.8000112.5T279 L283 S285T279-D281 PolarHBondContact O-N 3.17Å; D281-L283 VanDerWaalsContact C-N 3.32Å; D281-S285 WeakPolarHBondContact O-CB 3.26Å; D281-S285 PolarHBondContact O-N 3.28Å; D281-S285 PolarHBondContact O-OG 2.92Å
282D79.8Confident81.5Confident26 Ų2669.8 Ų69.814%0.13941%0.409CS..Hα-helixtrans-66.4-37.4176-74.2-26.8000110.7A278 T279 S285 S286 R315 I321A278-D282 HydrophobicContact CB-CB 4.42Å; T279-D282 PolarHBondContact N-OD2 3.3Å; T279-D282 WeakPolarHBondContact O-CB 3.42Å; T279-D282 PolarHBondContact O-N 3.37Å; T279-D282 VanDerWaalsContact OG1-CG 3.25Å; T279-D282 PolarHBondContact OG1-N 2.93Å; T279-D282 PolarHBondContact OG1-OD2 2.85Å; D282-S285 WeakPolarHBondContact CA-OG 3.47Å; D282-S285 PolarHBondContact O-OG 2.7Å; D282-S285 VanDerWaalsContact O-OG 3.06Å; D282-S286 WeakPolarHBondContact O-CB 3.3Å; D282-S286 PolarHBondContact O-N 3.48Å; D282-S286 VanDerWaalsContact O-N 3.12Å; D282-R315 WeakPolarHBondContact OD2-CD 3.36Å; D282-I321 HydrophobicContact CB-CD1 4.23Å; D282-I321 WeakPolarHBondContact O-CD1 3.27Å
283L80.8Confident81.5Confident24 Ų2468.1 Ų68.113%0.12640%0.4CS..Hα-helixtrans-71.5-43.5177.6-175.165.3000111.5T279 P280 D281 S285 S286 M298 L300 L313 I321T279-L283 PolarHBondContact O-N 3.38Å; T279-L283 VanDerWaalsContact O-N 3.12Å; P280-L283 PolarHBondContact O-N 2.96Å; D281-L283 VanDerWaalsContact C-N 3.32Å; L283-S285 VanDerWaalsContact C-N 3.27Å; L283-S285 PolarHBondContact O-N 3.3Å; L283-S286 PolarHBondContact O-N 3.27Å; L283-S286 PolarHBondContact O-OG 2.82Å; L283-M298 HydrophobicContact CD1-CB 4.15Å; L283-M298 HydrophobicContact CD1-CE 4.33Å; L283-M298 WeakPolarHBondContact CD2-O 3.42Å; L283-L300 HydrophobicContact CB-CD1 4.37Å; L283-L300 HydrophobicContact CD2-CD1 4.14Å; L283-L300 HydrophobicContact CD2-CG 4.14Å; L283-L313 HydrophobicContact CD1-CD1 4.38Å; L283-L313 HydrophobicContact CD2-CD1 4.15Å; L283-I321 HydrophobicContact CD1-CD1 4.44Å
284A77.6Confident81.5Confident89 Ų8964.5 Ų64.574%0.73638%0.379SS*.Hα-helixtrans-65.3-29.317700000113.1P280P280-A284 WeakPolarHBondContact O-CB 3.28Å; P280-A284 PolarHBondContact O-N 2.91Å
285S78Confident81.5Confident95 Ų9571.5 Ų71.566%0.66440%0.398SS*.Hα-helixtrans-84.6-16.6175.558.40000113.8D281 D282 L283D281-S285 WeakPolarHBondContact O-CB 3.26Å; D281-S285 PolarHBondContact O-N 3.28Å; D281-S285 PolarHBondContact O-OG 2.92Å; D282-S285 WeakPolarHBondContact CA-OG 3.47Å; D282-S285 PolarHBondContact O-OG 2.7Å; D282-S285 VanDerWaalsContact O-OG 3.06Å; L283-S285 VanDerWaalsContact C-N 3.27Å; L283-S285 PolarHBondContact O-N 3.3Å
286S74.3Confident81.6Confident27 Ų2776.8 Ų76.819%0.18942%0.423CS..SBendtrans-81.2136.3174.971.10000110.9D282 L283 D288D282-S286 WeakPolarHBondContact O-CB 3.3Å; D282-S286 PolarHBondContact O-N 3.48Å; D282-S286 VanDerWaalsContact O-N 3.12Å; L283-S286 PolarHBondContact O-N 3.27Å; L283-S286 PolarHBondContact O-OG 2.82Å; S286-D288 PolarHBondContact O-N 3.29Å
287S71Confident81.6Confident113 Ų11374.4 Ų74.479%0.7942%0.419SS*.SBendtrans-68.1-18.2179.556.80000114
288D76.6Confident81.4Confident78 Ų7870.4 Ų70.442%0.41740%0.397SS..  trans-113.3104.5-168-62.21.4000108.8S286 V290 M298S286-D288 PolarHBondContact O-N 3.29Å; D288-V290 VanDerWaalsContact C-N 3.28Å; D288-M298 WeakPolarHBondContact O-CE 3.5Å
289T82Confident80.9Confident70 Ų7074.3 Ų74.343%0.42942%0.417SS..  trans-83.6-5173.457.40000112.7M298T289-M298 VanDerWaalsContact C-CE 3.5Å; T289-M298 WeakPolarHBondContact O-CB 3.37Å; T289-M298 PolarHBondContact O-N 3.37Å
290V87.2Confident80.2Confident72 Ų7275.3 Ų75.344%0.43642%0.421SS..BIsolated β-bridgetrans-113.2129.7-175.4-178.80000111.1D288 I292D288-V290 VanDerWaalsContact C-N 3.28Å; V290-I292 PolarHBondContact O-N 3.36Å
291C89.2Confident79.4Confident1 Ų176.5 Ų76.51%0.00742%0.419CS..  trans-73.4114.9176.8-175.50000110.4I293 C294 R295 E296 M298C291-I293 PolarHBondContact O-N 3.48Å; C291-C294 PolarHBondContact O-N 3Å; C291-R295 WeakPolarHBondContact O-CA 3.46Å; C291-R295 PolarHBondContact O-N 3.43Å; C291-E296 PolarHBondContact N-O 2.92Å; C291-M298 HydrophobicContact CB-CG 3.81Å; C291-M298 HydrophobicContact CB-SD 3.98Å
292I89.5Confident77.9Confident94 Ų9476.5 Ų76.548%0.48242%0.423SS..THydrogen-bonded Turntrans-59.9-19.9-177.9-160.4169.5000114.7V290 F322 P338V290-I292 PolarHBondContact O-N 3.36Å; I292-F322 HydrophobicContact CG2-CD1 4.29Å; I292-F322 HydrophobicContact CG2-CE1 3.63Å; I292-P338 HydrophobicContact CG2-CB 3.89Å
293I86.2Confident76Confident52 Ų5280.4 Ų80.427%0.26744%0.444SS..THydrogen-bonded Turntrans-80.4-49.6-175.5-57.4171.3000111.1C291 F322 C326 W330 P338C291-I293 PolarHBondContact O-N 3.48Å; I293-F322 HydrophobicContact CD1-CB 4.5Å; I293-F322 HydrophobicContact CD1-CD1 4Å; I293-F322 HydrophobicContact CD1-CG 4.33Å; I293-F322 HydrophobicContact CG1-CD1 4.26Å; I293-C326 HydrophobicContact CB-CB 3.8Å; I293-C326 HydrophobicContact CD1-CB 3.8Å; I293-C326 HydrophobicContact CG1-CB 4.39Å; I293-C326 HydrophobicContact CG2-CB 3.73Å; I293-W330 HydrophobicContact CD1-CB 4.09Å; I293-P338 HydrophobicContact CD1-CG 3.99Å; I293-P338 HydrophobicContact CG1-CG 4.17Å
294C84.7Confident74.1Confident38 Ų3887.3 Ų87.326%0.25748%0.481SS..THydrogen-bonded Turntrans-98.3-15.1177.858.30000113.7C291 E296 H323C291-C294 PolarHBondContact O-N 3Å; C294-E296 HydrophobicContact CB-CG 4.22Å; C294-E296 PolarHBondContact O-N 3.04Å; C294-E296 PolarHBondContact SG-OE2 3.35Å; C294-H323 PolarHBondContact SG-ND1 3.37Å
295R84.6Confident72.7Confident210 Ų21088.8 Ų88.879%0.79248%0.475SS*.  trans62.128-172.9-54.1176.5175.8-97.6-0.6113.8C291C291-R295 WeakPolarHBondContact O-CA 3.46Å; C291-R295 PolarHBondContact O-N 3.43Å
296E85.1Confident70.7Confident120 Ų12090.5 Ų90.556%0.56148%0.484SS*.  trans-105.6154.5174.5-61.4160.3174.600110.3C291 C294C291-E296 PolarHBondContact N-O 2.92Å; C294-E296 HydrophobicContact CB-CG 4.22Å; C294-E296 PolarHBondContact O-N 3.04Å; C294-E296 PolarHBondContact SG-OE2 3.35Å
297E84.7Confident69.1Low114 Ų11492.4 Ų92.453%0.53350%0.498SS..BIsolated β-bridgetrans-70.6137.1178.5-166.9168.7-149.600111.6N299E297-N299 PolarHBondContact O-N 3.24Å
298M81.1Confident67.5Low3 Ų394.2 Ų94.22%0.01550%0.504CS..  trans-89.487.7-178.2-65.9-178-69.700109.4L283 D288 T289 C291 L313 I321L283-M298 HydrophobicContact CD1-CB 4.15Å; L283-M298 HydrophobicContact CD1-CE 4.33Å; L283-M298 WeakPolarHBondContact CD2-O 3.42Å; D288-M298 WeakPolarHBondContact O-CE 3.5Å; T289-M298 VanDerWaalsContact C-CE 3.5Å; T289-M298 WeakPolarHBondContact O-CB 3.37Å; T289-M298 PolarHBondContact O-N 3.37Å; C291-M298 HydrophobicContact CB-CG 3.81Å; C291-M298 HydrophobicContact CB-SD 3.98Å; M298-L313 HydrophobicContact CB-CD1 4.03Å; M298-L313 HydrophobicContact CB-CD2 3.88Å; M298-L313 HydrophobicContact CG-CD2 4.03Å; M298-L313 HydrophobicContact SD-CD2 4.35Å; M298-I321 HydrophobicContact SD-CB 4.4Å; M298-I321 HydrophobicContact SD-CG2 4.09Å; M298-I321 VanDerWaalsContact SD-O 3.42Å
299N70.5Confident65.8Low94 Ų9493.8 Ų93.850%0.50352%0.518SS..  trans-97.5127178.3-68.1-37000111.1E297 Q301E297-N299 PolarHBondContact O-N 3.24Å; N299-Q301 PolarHBondContact O-N 3.47Å; N299-Q301 VanDerWaalsContact O-N 3.11Å
300L66.4Low64.1Low55 Ų5594.3 Ų94.329%0.28852%0.521SS..  trans-77.791166.9-70.7168.4000107.7P280 L283 T302 L313P280-L300 HydrophobicContact CB-CD1 3.69Å; P280-L300 HydrophobicContact CG-CD1 4.44Å; L283-L300 HydrophobicContact CB-CD1 4.37Å; L283-L300 HydrophobicContact CD2-CD1 4.14Å; L283-L300 HydrophobicContact CD2-CG 4.14Å; L300-T302 PolarHBondContact O-N 3.2Å; L300-T302 PolarHBondContact O-OG1 2.93Å; L300-L313 HydrophobicContact CD2-CB 4.36Å; L300-L313 HydrophobicContact CD2-CD1 3.64Å; L300-L313 HydrophobicContact CD2-CG 4.07Å; L300-L313 HydrophobicContact CG-CD1 3.82Å
301Q57.5Low62.7Low109 Ų10993.4 Ų93.451%0.50952%0.518SS..  trans-57.4113.8176.5-162.698.810.400109.2N299 D303 T310N299-Q301 PolarHBondContact O-N 3.47Å; N299-Q301 VanDerWaalsContact O-N 3.11Å; Q301-D303 HydrophobicContact CG-CB 4.49Å; Q301-T310 HydrophobicContact CB-CG2 3.84Å; Q301-T310 HydrophobicContact CG-CG2 4.35Å
302T49.5Very low62Low122 Ų12296 Ų9675%0.74854%0.539SS*.  trans-974.8-178.6-46.10000111.2L300L300-T302 PolarHBondContact O-N 3.2Å; L300-T302 PolarHBondContact O-OG1 2.93Å
303D40Very low61.9Low109 Ų10991.7 Ų91.758%0.58352%0.517SS*.SBendtrans-99.6121.3-173.3-57.4-34.2000111.4Q301 I305Q301-D303 HydrophobicContact CG-CB 4.49Å; D303-I305 PolarHBondContact O-N 2.77Å
304N39.9Very low61.9Low169 Ų16989.6 Ų89.690%0.90451%0.506SS*.  trans-66.556.1178.3-72.7-54.2000113.3
305I48.1Very low62.1Low119 Ų11991.9 Ų91.961%0.6151%0.51SS*.  trans-122.8117.4171.9-54.1174.9000107.2D303 S307D303-I305 PolarHBondContact O-N 2.77Å; I305-S307 PolarHBondContact O-N 3.29Å
306P37.1Very low62.3Low131 Ų13182 Ų8285%0.85147%0.472SS*.  trans-76.863.5177.932.8-32.9000109.9V308P306-V308 PolarHBondContact O-N 3.47Å
307S39.6Very low62.4Low68 Ų6878 Ų7848%0.47646%0.457SS..  trans-88.587.7167.846.10000109I305 G309I305-S307 PolarHBondContact O-N 3.29Å; S307-G309 PolarHBondContact O-N 3.06Å
308V37.6Very low62.6Low150 Ų15073.4 Ų73.491%0.90944%0.437SS*.THydrogen-bonded Turntrans34.881.1147.4-168.90000115.6P306P306-V308 PolarHBondContact O-N 3.47Å
309G41.4Very low62.9Low70 Ų7076.2 Ų76.272%0.72246%0.457SS*.THydrogen-bonded Turntrans104.114.5149.500000119S307 S311S307-G309 PolarHBondContact O-N 3.06Å; G309-S311 PolarHBondContact O-N 3.09Å
310T47.3Very low63.8Low80 Ų8074 Ų7449%0.49144%0.443SS..  trans-61.6119.6179.3-16.60000111.7Q301 A312Q301-T310 HydrophobicContact CB-CG2 3.84Å; Q301-T310 HydrophobicContact CG-CG2 4.35Å; T310-A312 PolarHBondContact O-N 3.31Å
311S56.5Low64.9Low53 Ų5371.9 Ų71.937%0.37143%0.432SS..  trans-71.7110.4-160.7-61.40000112.4G309 L313G309-S311 PolarHBondContact O-N 3.09Å; S311-L313 PolarHBondContact O-N 3.12Å
312A75.2Confident66.5Low55 Ų5566.9 Ų66.946%0.45541%0.409SS..  trans-46.7128.6165.700000110T310 F324T310-A312 PolarHBondContact O-N 3.31Å; A312-F324 HydrophobicContact CB-CB 4.26Å; A312-F324 WeakPolarHBondContact O-CA 3.33Å; A312-F324 WeakPolarHBondContact O-CB 3.44Å; A312-F324 PolarHBondContact O-N 3.23Å
313L86.5Confident68.3Low4 Ų461.7 Ų61.72%0.02138%0.376CS..EExtended strand (participates in β ladder)trans-85.6134.5177.8-65-179.1000109.4D277 A278 L283 M298 L300 S311 I321 H323D277-L313 CarbonylContact C-O 3.56Å; D277-L313 VanDerWaalsContact CA-O 3.3Å; D277-L313 WeakPolarHBondContact CA-O 3.16Å; A278-L313 HydrophobicContact CB-CB 3.89Å; A278-L313 PolarHBondContact N-O 3.3Å; L283-L313 HydrophobicContact CD1-CD1 4.38Å; L283-L313 HydrophobicContact CD2-CD1 4.15Å; M298-L313 HydrophobicContact CB-CD1 4.03Å; M298-L313 HydrophobicContact CB-CD2 3.88Å; M298-L313 HydrophobicContact CG-CD2 4.03Å; M298-L313 HydrophobicContact SD-CD2 4.35Å; L300-L313 HydrophobicContact CD2-CB 4.36Å; L300-L313 HydrophobicContact CD2-CD1 3.64Å; L300-L313 HydrophobicContact CD2-CG 4.07Å; L300-L313 HydrophobicContact CG-CD1 3.82Å; S311-L313 PolarHBondContact O-N 3.12Å; L313-I321 HydrophobicContact CB-CG2 4.07Å; L313-I321 HydrophobicContact CD1-CG2 4.39Å; L313-H323 VanDerWaalsContact CD2-CD2 3.47Å; L313-H323 WeakPolarHBondContact CD2-CD2 3.46Å
314K87.4Confident70.6Confident8 Ų859.3 Ų59.34%0.03536%0.361CS..EExtended strand (participates in β ladder)trans-114.9133.5176.3-80.7-162.6170.2-64.10111.3M271 F275 D277 I321 F322 F324 L327M271-K314 HydrophobicContact CG-CD 3.61Å; M271-K314 WeakPolarHBondContact O-CE 3.33Å; M271-K314 PolarHBondContact O-NZ 3.2Å; M271-K314 VanDerWaalsContact O-NZ 3.16Å; M271-K314 HydrophobicContact SD-CD 4.38Å; F275-K314 PolarHBondContact O-NZ 3.44Å; D277-K314 IonicContact OD1-NZ 2.74Å; D277-K314 PolarHBondContact OD1-NZ 3.48Å; K314-I321 WeakPolarHBondContact O-CA 3.4Å; K314-F322 PolarHBondContact N-O 3.02Å; K314-F322 PolarHBondContact O-N 3.34Å; K314-F322 VanDerWaalsContact O-N 3.13Å; K314-F324 HydrophobicContact CD-CD2 3.71Å; K314-F324 HydrophobicContact CD-CE2 4.23Å; K314-F324 HydrophobicContact CG-CD2 4.2Å; K314-L327 HydrophobicContact CB-CD2 3.89Å; K314-L327 HydrophobicContact CD-CD2 4.39Å
315R88.2Confident72.7Confident87 Ų8751.8 Ų51.833%0.32832%0.323SS..EExtended strand (participates in β ladder)trans-99.2126175.5-174.6173.9-179-89.66110.2R276 A278 D282 I321R276-R315 PolarHBondContact O-N 2.97Å; R276-R315 VanDerWaalsContact O-N 3.08Å; A278-R315 HydrophobicContact CB-CB 4.26Å; D282-R315 WeakPolarHBondContact OD2-CD 3.36Å; R315-I321 HydrophobicContact CB-CG1 4.41Å; R315-I321 HydrophobicContact CG-CG1 4.31Å
316L89.4Confident74.6Confident2 Ų246.6 Ų46.61%0.0130%0.297CS..  trans-80.7161.9175.4-84.961.5000111.1C318 S319 H320 F322 L327 F331 C337 V344L316-C318 PolarHBondContact O-N 3.41Å; L316-C318 VanDerWaalsContact O-N 3.17Å; L316-S319 WeakPolarHBondContact O-CA 3.47Å; L316-S319 PolarHBondContact O-N 2.86Å; L316-H320 PolarHBondContact N-O 3.44Å; L316-F322 HydrophobicContact CD1-CD2 3.92Å; L316-F322 HydrophobicContact CD1-CE2 4.23Å; L316-F322 HydrophobicContact CD2-CE2 4.1Å; L316-L327 HydrophobicContact CD1-CD1 3.87Å; L316-L327 HydrophobicContact CD1-CD2 3.53Å; L316-L327 HydrophobicContact CD1-CG 4.36Å; L316-L327 HydrophobicContact CD2-CD1 4.36Å; L316-F331 HydrophobicContact CD2-CZ 4.26Å; L316-C337 HydrophobicContact CD2-CB 4.11Å; L316-V344 HydrophobicContact CB-CG1 4.35Å; L316-V344 HydrophobicContact CD2-CB 4.43Å; L316-V344 HydrophobicContact CD2-CG1 3.95Å; L316-V344 HydrophobicContact CD2-CG2 3.57Å; L316-V344 HydrophobicContact CG-CG1 3.9Å; L316-V344 HydrophobicContact CG-CG2 4.43Å
317P86.2Confident77Confident37 Ų3740.3 Ų40.324%0.2426%0.257CS..THydrogen-bonded Turntrans-55.8-27.1171.6-23.532.8000114.4F275 S319 V344 E347 A348F275-P317 HydrophobicContact CD1-CG 4.07Å; F275-P317 HydrophobicContact CE1-CG 3.73Å; P317-S319 PolarHBondContact O-N 3.45Å; P317-V344 HydrophobicContact CG-CG1 4.16Å; P317-E347 HydrophobicContact CB-CG 4.36Å; P317-A348 HydrophobicContact CG-CB 4.45Å
318C88.8Confident79.3Confident16 Ų1640.5 Ų40.511%0.10825%0.247CC..THydrogen-bonded Turntrans-84.317.4173.862.10000113.7L316 H320 C337 C340 M342L316-C318 PolarHBondContact O-N 3.41Å; L316-C318 VanDerWaalsContact O-N 3.17Å; C318-H320 PolarHBondContact O-N 3.35Å; C318-H320 PolarHBondContact O-ND1 3.21Å; C318-H320 PolarHBondContact SG-ND1 3.11Å; C318-H320 VanDerWaalsContact SG-ND1 3.45Å; C318-C337 VanDerWaalsContact SG-SG 3.63Å; C318-C340 VanDerWaalsContact SG-SG 3.61Å; C318-M342 HydrophobicContact CB-CE 3.73Å; C318-M342 HydrophobicContact CB-SD 3.93Å
319S87.1Confident81.6Confident63 Ų6335 Ų3544%0.44122%0.215SC..SBendtrans61.21.2-179.960.60000118.5L316 P317L316-S319 WeakPolarHBondContact O-CA 3.47Å; L316-S319 PolarHBondContact O-N 2.86Å; P317-S319 PolarHBondContact O-N 3.45Å
320H90.2Very high83.8Confident46 Ų4635.5 Ų35.521%0.21320%0.195CC..  trans-74142.6171.5-61.9105.7000112.3L316 C318 F322 C337 T339L316-H320 PolarHBondContact N-O 3.44Å; C318-H320 PolarHBondContact O-N 3.35Å; C318-H320 PolarHBondContact O-ND1 3.21Å; C318-H320 PolarHBondContact SG-ND1 3.11Å; C318-H320 VanDerWaalsContact SG-ND1 3.45Å; H320-F322 HydrophobicContact CB-CE2 3.57Å; H320-F322 HydrophobicContact CB-CZ 3.72Å; H320-C337 PolarHBondContact ND1-SG 2.89Å; H320-T339 VanDerWaalsContact NE2-CG2 3.33Å; H320-T339 WeakPolarHBondContact NE2-CG2 3.49Å
321I90.3Very high85.8Confident11 Ų1131.8 Ų31.86%0.05617%0.172CC..EExtended strand (participates in β ladder)trans-113.4138.5-175.2-55.1175.6000109.6A278 D282 L283 M298 L313 K314 R315A278-I321 HydrophobicContact CB-CD1 4.24Å; A278-I321 HydrophobicContact CB-CG1 4.48Å; A278-I321 HydrophobicContact CB-CG2 3.93Å; D282-I321 HydrophobicContact CB-CD1 4.23Å; D282-I321 WeakPolarHBondContact O-CD1 3.27Å; L283-I321 HydrophobicContact CD1-CD1 4.44Å; M298-I321 HydrophobicContact SD-CB 4.4Å; M298-I321 HydrophobicContact SD-CG2 4.09Å; M298-I321 VanDerWaalsContact SD-O 3.42Å; L313-I321 HydrophobicContact CB-CG2 4.07Å; L313-I321 HydrophobicContact CD1-CG2 4.39Å; K314-I321 WeakPolarHBondContact O-CA 3.4Å; R315-I321 HydrophobicContact CB-CG1 4.41Å; R315-I321 HydrophobicContact CG-CG1 4.31Å
322F90.1Very high87.2Confident4 Ų429.9 Ų29.92%0.01816%0.157CC..EExtended strand (participates in β ladder)trans-145.9159.2177-52.4-82.7000111.4I292 I293 K314 L316 H320 L327 P338 T339I292-F322 HydrophobicContact CG2-CD1 4.29Å; I292-F322 HydrophobicContact CG2-CE1 3.63Å; I293-F322 HydrophobicContact CD1-CB 4.5Å; I293-F322 HydrophobicContact CD1-CD1 4Å; I293-F322 HydrophobicContact CD1-CG 4.33Å; I293-F322 HydrophobicContact CG1-CD1 4.26Å; K314-F322 PolarHBondContact N-O 3.02Å; K314-F322 PolarHBondContact O-N 3.34Å; K314-F322 VanDerWaalsContact O-N 3.13Å; L316-F322 HydrophobicContact CD1-CD2 3.92Å; L316-F322 HydrophobicContact CD1-CE2 4.23Å; L316-F322 HydrophobicContact CD2-CE2 4.1Å; H320-F322 HydrophobicContact CB-CE2 3.57Å; H320-F322 HydrophobicContact CB-CZ 3.72Å; F322-L327 HydrophobicContact CB-CB 4.25Å; F322-L327 HydrophobicContact CD2-CD1 4.08Å; F322-P338 HydrophobicContact CE1-CB 4.27Å; F322-P338 HydrophobicContact CE1-CG 4.07Å; F322-P338 HydrophobicContact CE2-CG 4.49Å; F322-P338 HydrophobicContact CZ-CB 4.29Å; F322-P338 HydrophobicContact CZ-CG 3.98Å; F322-T339 WeakPolarHBondContact CZ-OG1 3.42Å
323H88Confident87.5Confident13 Ų1334.3 Ų34.36%0.0616%0.162CC..EExtended strand (participates in β ladder)trans-58.2137.1166.2-62.5131000111.2C294 L313 G325 C326 L327C294-H323 PolarHBondContact SG-ND1 3.37Å; L313-H323 VanDerWaalsContact CD2-CD2 3.47Å; L313-H323 WeakPolarHBondContact CD2-CD2 3.46Å; H323-G325 VanDerWaalsContact C-N 3.27Å; H323-G325 PolarHBondContact O-N 2.9Å; H323-C326 HydrophobicContact CB-CB 4.02Å; H323-C326 PolarHBondContact O-N 2.93Å; H323-L327 WeakPolarHBondContact O-CB 3.33Å; H323-L327 PolarHBondContact O-N 3.42Å
324F87.1Confident87.5Confident59 Ų5939.2 Ų39.226%0.25919%0.185SC..Hα-helixtrans-52.1-45.1176.5176.1-95.6000112.6M271 N272 A312 K314 R328M271-F324 HydrophobicContact CE-CD2 3.97Å; M271-F324 HydrophobicContact CE-CE1 4.45Å; M271-F324 HydrophobicContact CE-CE2 3.34Å; M271-F324 HydrophobicContact CE-CZ 3.62Å; M271-F324 HydrophobicContact SD-CD2 4.48Å; M271-F324 HydrophobicContact SD-CE2 4.38Å; N272-F324 WeakPolarHBondContact OD1-CE2 3.48Å; N272-F324 WeakPolarHBondContact OD1-CZ 3.17Å; A312-F324 HydrophobicContact CB-CB 4.26Å; A312-F324 WeakPolarHBondContact O-CA 3.33Å; A312-F324 WeakPolarHBondContact O-CB 3.44Å; A312-F324 PolarHBondContact O-N 3.23Å; K314-F324 HydrophobicContact CD-CD2 3.71Å; K314-F324 HydrophobicContact CD-CE2 4.23Å; K314-F324 HydrophobicContact CG-CD2 4.2Å; F324-R328 WeakPolarHBondContact O-CB 3.32Å; F324-R328 PolarHBondContact O-N 3.08Å
325G83.9Confident87.5Confident11 Ų1140.9 Ų40.911%0.11319%0.193CC..Hα-helixtrans-61-51.6178.900000112.2N205 H323 L327 R328 S329N205-G325 PolarHBondContact OD1-O 2.88Å; H323-G325 VanDerWaalsContact C-N 3.27Å; H323-G325 PolarHBondContact O-N 2.9Å; G325-L327 PolarHBondContact O-N 3.43Å; G325-R328 WeakPolarHBondContact O-CB 3.28Å; G325-R328 PolarHBondContact O-N 3.08Å; G325-S329 PolarHBondContact O-N 2.93Å
326C87.6Confident87.6Confident10 Ų1038.8 Ų38.87%0.06819%0.19CC..Hα-helixtrans-61.8-43.5178.8-61.40000112.6I293 H323 R328 S329 W330I293-C326 HydrophobicContact CB-CB 3.8Å; I293-C326 HydrophobicContact CD1-CB 3.8Å; I293-C326 HydrophobicContact CG1-CB 4.39Å; I293-C326 HydrophobicContact CG2-CB 3.73Å; H323-C326 HydrophobicContact CB-CB 4.02Å; H323-C326 PolarHBondContact O-N 2.93Å; C326-R328 VanDerWaalsContact C-N 3.33Å; C326-R328 PolarHBondContact O-N 3.39Å; C326-S329 PolarHBondContact O-N 3.3Å; C326-S329 PolarHBondContact O-OG 3Å; C326-W330 WeakPolarHBondContact O-CB 3.26Å; C326-W330 PolarHBondContact O-N 3.45Å
327L89.3Confident87.7Confident0 Ų038.7 Ų38.70%019%0.19CC..Hα-helixtrans-64.6-40.6177.6-174.463.8000111.3M271 K314 L316 F322 H323 G325 S329 W330 F331M271-L327 HydrophobicContact CG-CD2 3.97Å; M271-L327 HydrophobicContact SD-CB 4.33Å; M271-L327 HydrophobicContact SD-CD2 4.05Å; M271-L327 HydrophobicContact SD-CG 4.05Å; K314-L327 HydrophobicContact CB-CD2 3.89Å; K314-L327 HydrophobicContact CD-CD2 4.39Å; L316-L327 HydrophobicContact CD1-CD1 3.87Å; L316-L327 HydrophobicContact CD1-CD2 3.53Å; L316-L327 HydrophobicContact CD1-CG 4.36Å; L316-L327 HydrophobicContact CD2-CD1 4.36Å; F322-L327 HydrophobicContact CB-CB 4.25Å; F322-L327 HydrophobicContact CD2-CD1 4.08Å; H323-L327 WeakPolarHBondContact O-CB 3.33Å; H323-L327 PolarHBondContact O-N 3.42Å; G325-L327 PolarHBondContact O-N 3.43Å; L327-S329 PolarHBondContact O-N 3.39Å; L327-W330 PolarHBondContact O-N 3.27Å; L327-F331 HydrophobicContact CD1-CD1 4.39Å; L327-F331 HydrophobicContact CD1-CD2 4.25Å; L327-F331 HydrophobicContact CD1-CE1 3.94Å; L327-F331 HydrophobicContact CD1-CE2 3.75Å; L327-F331 HydrophobicContact CD1-CZ 3.61Å; L327-F331 HydrophobicContact CD2-CE2 3.91Å; L327-F331 HydrophobicContact CD2-CZ 4.41Å; L327-F331 HydrophobicContact CG-CD2 3.98Å; L327-F331 HydrophobicContact CG-CE2 3.67Å; L327-F331 HydrophobicContact CG-CZ 4.09Å; L327-F331 WeakPolarHBondContact O-CB 3.43Å; L327-F331 PolarHBondContact O-N 2.88Å
328R88.1Confident87.9Confident72 Ų7238.1 Ų38.127%0.27219%0.186SC..Hα-helixtrans-63.1-40.9176.9-173.9-176.2178.9172.95.4112.2I268 M271 F324 G325 C326 Q332I268-R328 HydrophobicContact CD1-CG 4.47Å; I268-R328 HydrophobicContact CG1-CG 4.26Å; M271-R328 HydrophobicContact CE-CB 3.89Å; M271-R328 HydrophobicContact CE-CG 4.04Å; M271-R328 HydrophobicContact SD-CB 4.01Å; F324-R328 WeakPolarHBondContact O-CB 3.32Å; F324-R328 PolarHBondContact O-N 3.08Å; G325-R328 WeakPolarHBondContact O-CB 3.28Å; G325-R328 PolarHBondContact O-N 3.08Å; C326-R328 VanDerWaalsContact C-N 3.33Å; C326-R328 PolarHBondContact O-N 3.39Å; R328-Q332 WeakPolarHBondContact O-CG 3.43Å; R328-Q332 PolarHBondContact O-N 3.46Å; R328-Q332 PolarHBondContact O-NE2 3.37Å
329S84.4Confident88Confident33 Ų3339.8 Ų39.823%0.23120%0.196CC..Hα-helixtrans-70.4-37.5178.268.50000111.5G325 C326 L327 Q332G325-S329 PolarHBondContact O-N 2.93Å; C326-S329 PolarHBondContact O-N 3.3Å; C326-S329 PolarHBondContact O-OG 3Å; L327-S329 PolarHBondContact O-N 3.39Å; S329-Q332 WeakPolarHBondContact O-CB 3.49Å; S329-Q332 PolarHBondContact O-N 3.37Å
330W88.3Confident88.2Confident82 Ų8239.3 Ų39.331%0.31119%0.192SC..Hα-helixtrans-62.5-49.8173.4-178.4-92.6000112.4I293 C326 L327 Q332 R333 Q334 T336 P338I293-W330 HydrophobicContact CD1-CB 4.09Å; C326-W330 WeakPolarHBondContact O-CB 3.26Å; C326-W330 PolarHBondContact O-N 3.45Å; L327-W330 PolarHBondContact O-N 3.27Å; W330-Q332 PolarHBondContact O-N 3.4Å; W330-Q332 VanDerWaalsContact O-N 3.11Å; W330-R333 PolarHBondContact O-N 2.9Å; W330-Q334 HydrophobicContact CZ2-CB 4.22Å; W330-Q334 PolarHBondContact O-N 3.26Å; W330-T336 PolarHBondContact NE1-O 3Å; W330-P338 HydrophobicContact CD2-CB 4.44Å; W330-P338 HydrophobicContact CD2-CG 3.8Å; W330-P338 HydrophobicContact CE3-CG 4.36Å; W330-P338 HydrophobicContact CG-CG 3.99Å; W330-P338 HydrophobicContact CH2-CB 4.32Å; W330-P338 HydrophobicContact CZ2-CB 4.1Å; W330-P338 HydrophobicContact CZ2-CG 4.13Å
331F88.5Confident88.2Confident2 Ų245.4 Ų45.41%0.00921%0.213CC..Hα-helixtrans-64.5-13.6178.3-77.4-13.2000115.1A267 M271 F275 L316 L327 R333 Q334 V344A267-F331 HydrophobicContact CB-CB 3.94Å; A267-F331 HydrophobicContact CB-CG 4.33Å; M271-F331 HydrophobicContact CB-CD2 4.06Å; M271-F331 HydrophobicContact CB-CE2 4.14Å; M271-F331 HydrophobicContact CG-CD2 4.22Å; M271-F331 HydrophobicContact CG-CE2 4.18Å; M271-F331 HydrophobicContact SD-CD2 4.12Å; F275-F331 HydrophobicContact CD2-CE2 4.09Å; F275-F331 AromaticContact CE2-CE2 3.56Å; F275-F331 HydrophobicContact CE2-CE2 3.56Å; F275-F331 AromaticContact CE2-CZ 3.93Å; F275-F331 HydrophobicContact CE2-CZ 3.93Å; L316-F331 HydrophobicContact CD2-CZ 4.26Å; L327-F331 HydrophobicContact CD1-CD1 4.39Å; L327-F331 HydrophobicContact CD1-CD2 4.25Å; L327-F331 HydrophobicContact CD1-CE1 3.94Å; L327-F331 HydrophobicContact CD1-CE2 3.75Å; L327-F331 HydrophobicContact CD1-CZ 3.61Å; L327-F331 HydrophobicContact CD2-CE2 3.91Å; L327-F331 HydrophobicContact CD2-CZ 4.41Å; L327-F331 HydrophobicContact CG-CD2 3.98Å; L327-F331 HydrophobicContact CG-CE2 3.67Å; L327-F331 HydrophobicContact CG-CZ 4.09Å; L327-F331 WeakPolarHBondContact O-CB 3.43Å; L327-F331 PolarHBondContact O-N 2.88Å; F331-R333 VanDerWaalsContact C-N 3.27Å; F331-Q334 WeakPolarHBondContact CA-O 3.18Å; F331-Q334 WeakPolarHBondContact CD1-O 3.23Å; F331-V344 HydrophobicContact CE1-CG2 4.34Å; F331-V344 HydrophobicContact CZ-CB 4.29Å; F331-V344 HydrophobicContact CZ-CG1 4.26Å; F331-V344 HydrophobicContact CZ-CG2 4.34Å
332Q85.7Confident88.2Confident12 Ų1248.8 Ų48.86%0.05623%0.229CC..THydrogen-bonded Turntrans-72.3-23.4169-73.816842.700112.7N205 A208 T209 I268 R328 S329 W330N205-Q332 PolarHBondContact O-NE2 3.18Å; N205-Q332 PolarHBondContact O-OE1 2.89Å; A208-Q332 HydrophobicContact CB-CB 4.05Å; T209-Q332 PolarHBondContact OG1-OE1 3.01Å; I268-Q332 HydrophobicContact CD1-CG 3.99Å; R328-Q332 WeakPolarHBondContact O-CG 3.43Å; R328-Q332 PolarHBondContact O-N 3.46Å; R328-Q332 PolarHBondContact O-NE2 3.37Å; S329-Q332 WeakPolarHBondContact O-CB 3.49Å; S329-Q332 PolarHBondContact O-N 3.37Å; W330-Q332 PolarHBondContact O-N 3.4Å; W330-Q332 VanDerWaalsContact O-N 3.11Å
333R82.2Confident88.2Confident148 Ų14851.8 Ų51.856%0.55825%0.245SC*.THydrogen-bonded Turntrans-109-44.2-177.9-62.2176.9-179-167.6-7.2112.6E127 W330 F331E127-R333 IonicContact OE1-CZ 3.51Å; E127-R333 IonicContact OE1-NH1 3.61Å; E127-R333 IonicContact OE1-NH2 2.65Å; E127-R333 PolarHBondContact OE1-NH2 2.99Å; W330-R333 PolarHBondContact O-N 2.9Å; F331-R333 VanDerWaalsContact C-N 3.27Å
334Q86.5Confident88.1Confident107 Ų10751.3 Ų51.350%0.524%0.243SC..  trans-138.8137.8-171.9-64.3-63.3-1800110.7W330 F331W330-Q334 HydrophobicContact CZ2-CB 4.22Å; W330-Q334 PolarHBondContact O-N 3.26Å; F331-Q334 WeakPolarHBondContact CA-O 3.18Å; F331-Q334 WeakPolarHBondContact CD1-O 3.23Å
335Q87.1Confident88Confident43 Ų4348.8 Ų48.820%0.20123%0.233CC..  trans-96.97.2-178.1-62179.9-18.800113.5M263 A267 V344 I345M263-Q335 VanDerWaalsContact CB-NE2 3.33Å; M263-Q335 PolarHBondContact O-NE2 2.99Å; M263-Q335 VanDerWaalsContact O-NE2 3.07Å; A267-Q335 HydrophobicContact CB-CG 4.35Å; Q335-V344 PolarHBondContact O-N 3.27Å; Q335-I345 HydrophobicContact CB-CD1 3.9Å; Q335-I345 HydrophobicContact CB-CG1 4.43Å; Q335-I345 VanDerWaalsContact CD-CD1 3.49Å; Q335-I345 HydrophobicContact CG-CD1 3.72Å
336T91.5Very high88.2Confident44 Ų4457 Ų5727%0.2726%0.26SS..BIsolated β-bridgetrans-94.4151.9179.954.40000110.9W330 M342W330-T336 PolarHBondContact NE1-O 3Å; T336-M342 CarbonylContact C-O 3.48Å; T336-M342 VanDerWaalsContact CA-O 3.26Å; T336-M342 WeakPolarHBondContact CA-O 3.43Å
337C90.6Very high88Confident0 Ų059.5 Ų59.50%027%0.271CS..  trans-62.7133171.6179.40000110.3L316 C318 H320 T339 C340 R341 M342 V344L316-C337 HydrophobicContact CD2-CB 4.11Å; C318-C337 VanDerWaalsContact SG-SG 3.63Å; H320-C337 PolarHBondContact ND1-SG 2.89Å; C337-T339 PolarHBondContact O-N 3.48Å; C337-T339 PolarHBondContact SG-N 2.69Å; C337-C340 WeakPolarHBondContact CB-SG 3.33Å; C337-C340 VanDerWaalsContact SG-SG 3.64Å; C337-R341 WeakPolarHBondContact O-CA 3.32Å; C337-R341 PolarHBondContact O-N 3.15Å; C337-M342 PolarHBondContact N-O 2.98Å; C337-V344 HydrophobicContact CB-CG2 3.96Å
338P90.7Very high87.7Confident24 Ų2459.6 Ų59.616%0.15627%0.272CS..THydrogen-bonded Turntrans-58.4-33.6175.6-21.228.2000113.8I292 I293 F322 W330I292-P338 HydrophobicContact CG2-CB 3.89Å; I293-P338 HydrophobicContact CD1-CG 3.99Å; I293-P338 HydrophobicContact CG1-CG 4.17Å; F322-P338 HydrophobicContact CE1-CB 4.27Å; F322-P338 HydrophobicContact CE1-CG 4.07Å; F322-P338 HydrophobicContact CE2-CG 4.49Å; F322-P338 HydrophobicContact CZ-CB 4.29Å; F322-P338 HydrophobicContact CZ-CG 3.98Å; W330-P338 HydrophobicContact CD2-CB 4.44Å; W330-P338 HydrophobicContact CD2-CG 3.8Å; W330-P338 HydrophobicContact CE3-CG 4.36Å; W330-P338 HydrophobicContact CG-CG 3.99Å; W330-P338 HydrophobicContact CH2-CB 4.32Å; W330-P338 HydrophobicContact CZ2-CB 4.1Å; W330-P338 HydrophobicContact CZ2-CG 4.13Å
339T90.9Very high87.6Confident52 Ų5260 Ų6032%0.31927%0.273SS..THydrogen-bonded Turntrans-85.5-57.7-175.2-47.90000111.9H320 F322 C337H320-T339 VanDerWaalsContact NE2-CG2 3.33Å; H320-T339 WeakPolarHBondContact NE2-CG2 3.49Å; F322-T339 WeakPolarHBondContact CZ-OG1 3.42Å; C337-T339 PolarHBondContact O-N 3.48Å; C337-T339 PolarHBondContact SG-N 2.69Å
340C91.8Very high87.6Confident53 Ų5360.7 Ų60.736%0.35828%0.276SS..THydrogen-bonded Turntrans-98.8-1.7-175.264.80000115.4C318 C337 M342C318-C340 VanDerWaalsContact SG-SG 3.61Å; C337-C340 WeakPolarHBondContact CB-SG 3.33Å; C337-C340 VanDerWaalsContact SG-SG 3.64Å; C340-M342 PolarHBondContact O-N 3.29Å; C340-M342 VanDerWaalsContact SG-CB 3.57Å
341R90.7Very high87.2Confident174 Ų17460.2 Ų60.266%0.65728%0.278SS*.  trans60.27.3-177.9-53.4-176.7178.5-165.2-0.6115.9C337C337-R341 WeakPolarHBondContact O-CA 3.32Å; C337-R341 PolarHBondContact O-N 3.15Å
342M89.2Confident86.8Confident81 Ų8164.2 Ų64.240%0.39930%0.296SS..  trans-64.5137.2176.4-167.8-176.8-50.200111.2C318 T336 C337 C340 V344 E347C318-M342 HydrophobicContact CB-CE 3.73Å; C318-M342 HydrophobicContact CB-SD 3.93Å; T336-M342 CarbonylContact C-O 3.48Å; T336-M342 VanDerWaalsContact CA-O 3.26Å; T336-M342 WeakPolarHBondContact CA-O 3.43Å; C337-M342 PolarHBondContact N-O 2.98Å; C340-M342 PolarHBondContact O-N 3.29Å; C340-M342 VanDerWaalsContact SG-CB 3.57Å; M342-V344 WeakPolarHBondContact O-CG2 3.42Å; M342-V344 PolarHBondContact O-N 3.47Å; M342-V344 VanDerWaalsContact O-N 3.11Å; M342-E347 HydrophobicContact SD-CG 4.23Å
343D89.3Confident86.6Confident67 Ų6771.8 Ų71.836%0.35832%0.324SS..BIsolated β-bridgetrans-71103.9172.6-177.9-20.7000109.9I345 R346 E347D343-I345 PolarHBondContact O-N 3.29Å; D343-I345 PolarHBondContact OD1-N 3.11Å; D343-I345 VanDerWaalsContact OD1-N 3.14Å; D343-R346 HydrophobicContact CB-CB 4.02Å; D343-R346 VanDerWaalsContact CG-CB 3.47Å; D343-R346 PolarHBondContact OD1-N 3.35Å; D343-E347 WeakPolarHBondContact O-CB 3.39Å; D343-E347 PolarHBondContact O-N 3.35Å; D343-E347 VanDerWaalsContact O-N 3.14Å
344V87.2Confident86.4Confident3 Ų371.1 Ų71.12%0.01833%0.327CS..Hα-helixtrans-70.9-34.9-169.8-171.70000111.4F275 L316 P317 F331 Q335 C337 M342 A348F275-V344 HydrophobicContact CE1-CG1 3.86Å; F275-V344 HydrophobicContact CE2-CG1 3.92Å; F275-V344 HydrophobicContact CZ-CB 4.45Å; F275-V344 HydrophobicContact CZ-CG1 3.37Å; L316-V344 HydrophobicContact CB-CG1 4.35Å; L316-V344 HydrophobicContact CD2-CB 4.43Å; L316-V344 HydrophobicContact CD2-CG1 3.95Å; L316-V344 HydrophobicContact CD2-CG2 3.57Å; L316-V344 HydrophobicContact CG-CG1 3.9Å; L316-V344 HydrophobicContact CG-CG2 4.43Å; P317-V344 HydrophobicContact CG-CG1 4.16Å; F331-V344 HydrophobicContact CE1-CG2 4.34Å; F331-V344 HydrophobicContact CZ-CB 4.29Å; F331-V344 HydrophobicContact CZ-CG1 4.26Å; F331-V344 HydrophobicContact CZ-CG2 4.34Å; Q335-V344 PolarHBondContact O-N 3.27Å; C337-V344 HydrophobicContact CB-CG2 3.96Å; M342-V344 WeakPolarHBondContact O-CG2 3.42Å; M342-V344 PolarHBondContact O-N 3.47Å; M342-V344 VanDerWaalsContact O-N 3.11Å; V344-A348 VanDerWaalsContact O-CB 3.31Å; V344-A348 WeakPolarHBondContact O-CB 3.48Å; V344-A348 PolarHBondContact O-N 3.34Å
345I84.8Confident85.8Confident6 Ų676.9 Ų76.93%0.03134%0.344CS..Hα-helixtrans-77.6-39.1-176-58.8178.6000109.9A267 Y270 Q335 D343 E347 R349A267-I345 HydrophobicContact CB-CD1 3.57Å; Y270-I345 HydrophobicContact CD2-CG2 4.03Å; Y270-I345 HydrophobicContact CE2-CG2 4.11Å; Y270-I345 HydrophobicContact CG-CG2 4.37Å; Q335-I345 HydrophobicContact CB-CD1 3.9Å; Q335-I345 HydrophobicContact CB-CG1 4.43Å; Q335-I345 VanDerWaalsContact CD-CD1 3.49Å; Q335-I345 HydrophobicContact CG-CD1 3.72Å; D343-I345 PolarHBondContact O-N 3.29Å; D343-I345 PolarHBondContact OD1-N 3.11Å; D343-I345 VanDerWaalsContact OD1-N 3.14Å; I345-E347 VanDerWaalsContact C-N 3.33Å; I345-R349 WeakPolarHBondContact O-CG 3.47Å; I345-R349 PolarHBondContact O-N 3.39Å; I345-R349 VanDerWaalsContact O-N 3.16Å
346R87Confident84.7Confident183 Ų18381.4 Ų81.469%0.69137%0.366SS*.Hα-helixtrans-60.4-47173.4-177.7178.6176.4-161.8-2.6110.5D343 R349 V350D343-R346 HydrophobicContact CB-CB 4.02Å; D343-R346 VanDerWaalsContact CG-CB 3.47Å; D343-R346 PolarHBondContact OD1-N 3.35Å; R346-R349 PolarHBondContact O-N 3Å; R346-V350 WeakPolarHBondContact O-CG2 3.33Å; R346-V350 PolarHBondContact O-N 3.25Å; R346-V350 VanDerWaalsContact O-N 3.12Å
347E84.9Confident83Confident63 Ų6387 Ų8729%0.29439%0.389SS..Hα-helixtrans-64.4-45.7-179.3-173.853-14600111.9P317 M342 D343 I345 R349 V350 Q351P317-E347 HydrophobicContact CB-CG 4.36Å; M342-E347 HydrophobicContact SD-CG 4.23Å; D343-E347 WeakPolarHBondContact O-CB 3.39Å; D343-E347 PolarHBondContact O-N 3.35Å; D343-E347 VanDerWaalsContact O-N 3.14Å; I345-E347 VanDerWaalsContact C-N 3.33Å; E347-R349 PolarHBondContact O-N 2.92Å; E347-V350 PolarHBondContact O-N 2.84Å; E347-Q351 WeakPolarHBondContact O-CG 3.32Å; E347-Q351 PolarHBondContact O-N 3.09Å; E347-Q351 PolarHBondContact OE1-NE2 3.46Å
348A83.2Confident81.4Confident3 Ų392.3 Ų92.33%0.02542%0.423CS..Hα-helixtrans-55.9-38.3175.700000112.9V274 F275 P317 V344 E352V274-A348 HydrophobicContact CG1-CB 4.27Å; F275-A348 HydrophobicContact CE1-CB 3.97Å; P317-A348 HydrophobicContact CG-CB 4.45Å; V344-A348 VanDerWaalsContact O-CB 3.31Å; V344-A348 WeakPolarHBondContact O-CB 3.48Å; V344-A348 PolarHBondContact O-N 3.34Å; A348-E352 WeakPolarHBondContact O-CB 3.3Å; A348-E352 PolarHBondContact O-N 3.11Å
349R84.5Confident79.6Confident80 Ų80100.5 Ų100.530%0.30246%0.459SS..Hα-helixtrans-71.8-29.9176.2-74.3172.6170.2-164.5-8.5113.8Y270 I345 R346 E347 R353Y270-R349 HydrophobicContact CE1-CG 4.19Å; Y270-R349 WeakPolarHBondContact OH-CG 3.42Å; Y270-R349 PolarHBondContact OH-NE 2.83Å; I345-R349 WeakPolarHBondContact O-CG 3.47Å; I345-R349 PolarHBondContact O-N 3.39Å; I345-R349 VanDerWaalsContact O-N 3.16Å; R346-R349 PolarHBondContact O-N 3Å; E347-R349 PolarHBondContact O-N 2.92Å; R349-R353 PolarHBondContact O-N 3.11Å; R349-R353 PolarHBondContact O-NE 3.3Å
350V84.9Confident77.6Confident47 Ų47109.5 Ų109.529%0.28549%0.487SS..Hα-helixtrans-71-45.4174.9171.90000109.1R346 E347 E352 R353 Q354R346-V350 WeakPolarHBondContact O-CG2 3.33Å; R346-V350 PolarHBondContact O-N 3.25Å; R346-V350 VanDerWaalsContact O-N 3.12Å; E347-V350 PolarHBondContact O-N 2.84Å; V350-E352 VanDerWaalsContact C-N 3.34Å; V350-E352 PolarHBondContact O-N 3.25Å; V350-R353 PolarHBondContact O-N 3.4Å; V350-Q354 WeakPolarHBondContact O-CG 3.21Å; V350-Q354 PolarHBondContact O-N 2.72Å
351Q80.7Confident75.6Confident73 Ų73112.1 Ų112.134%0.34151%0.506SS..Hα-helixtrans-61.6-40.8176.5-66.2179.211.200112E347 Q354 R355E347-Q351 WeakPolarHBondContact O-CG 3.32Å; E347-Q351 PolarHBondContact O-N 3.09Å; E347-Q351 PolarHBondContact OE1-NE2 3.46Å; Q351-Q354 PolarHBondContact O-N 2.9Å; Q351-R355 WeakPolarHBondContact O-CG 3.04Å; Q351-R355 PolarHBondContact O-N 2.87Å
352E80.4Confident73.8Confident86 Ų86110.6 Ų110.640%0.40252%0.516SS..Hα-helixtrans-63.3-42.5175.1-172.6172.3-159.400112.3A348 V350 R355 Q356A348-E352 WeakPolarHBondContact O-CB 3.3Å; A348-E352 PolarHBondContact O-N 3.11Å; V350-E352 VanDerWaalsContact C-N 3.34Å; V350-E352 PolarHBondContact O-N 3.25Å; E352-R355 PolarHBondContact O-N 3.34Å; E352-Q356 WeakPolarHBondContact O-CG 3.26Å; E352-Q356 PolarHBondContact O-N 2.92Å; E352-Q356 VanDerWaalsContact O-N 3.12Å
353R81.1Confident71.9Confident170 Ų170114.1 Ų114.164%0.64254%0.536SS*.Hα-helixtrans-65.9-37.3176.6-84-171.3-89-1500.6113.1R349 V350 R355 Q356R349-R353 PolarHBondContact O-N 3.11Å; R349-R353 PolarHBondContact O-NE 3.3Å; V350-R353 PolarHBondContact O-N 3.4Å; R353-R355 VanDerWaalsContact C-N 3.34Å; R353-Q356 PolarHBondContact O-N 3.47Å
354Q78.5Confident69.7Low134 Ų134117.2 Ų117.263%0.62656%0.558SS**Hα-helixtrans-67.1-35.6174.9-73.9174.9-1300111.8V350 Q351 Q356V350-Q354 WeakPolarHBondContact O-CG 3.21Å; V350-Q354 PolarHBondContact O-N 2.72Å; Q351-Q354 PolarHBondContact O-N 2.9Å; Q354-Q356 VanDerWaalsContact C-N 3.32Å; Q354-Q356 PolarHBondContact O-N 2.92Å
355R72.1Confident67.9Low228 Ų228124.7 Ų124.786%0.8660%0.597SS**Hα-helixtrans-71.4-24175.7-69.6-177.398.3125.25113.7Q351 E352 R353Q351-R355 WeakPolarHBondContact O-CG 3.04Å; Q351-R355 PolarHBondContact O-N 2.87Å; E352-R355 PolarHBondContact O-N 3.34Å; R353-R355 VanDerWaalsContact C-N 3.34Å
356Q65.7Low66.2Low139 Ų139132.6 Ų132.665%0.6564%0.64SS**THydrogen-bonded Turntrans-90.63.6-179.7-73.21789.300114.3E352 R353 Q354 P358E352-Q356 WeakPolarHBondContact O-CG 3.26Å; E352-Q356 PolarHBondContact O-N 2.92Å; E352-Q356 VanDerWaalsContact O-N 3.12Å; R353-Q356 PolarHBondContact O-N 3.47Å; Q354-Q356 VanDerWaalsContact C-N 3.32Å; Q354-Q356 PolarHBondContact O-N 2.92Å; Q356-P358 WeakPolarHBondContact O-CD 3.15Å
357Q55.3Low64.5Low161 Ų161128.8 Ų128.875%0.75265%0.647SS**SBendtrans-101.3102174.6-144.7162.827.400109.6
358P56.4Low63Low111 Ų111133.3 Ų133.372%0.72167%0.669SS**  trans-68.8140.5177.1-7.824.6000109.1Q356 R360Q356-P358 WeakPolarHBondContact O-CD 3.15Å; P358-R360 PolarHBondContact O-N 3.49Å
359H53.1Low61.3Low197 Ų197139 Ų13991%0.91271%0.706SS**  trans-38104170.9-73.9-34000112.6
360R49.5Very low59.4Low241 Ų241141.3 Ų141.391%0.90972%0.724SS**  trans-123.766.1165.4-161179.8-174.2177.32109.4P358P358-R360 PolarHBondContact O-N 3.49Å
361S48.9Very low57.4Low107 Ų107144.1 Ų144.175%0.74875%0.745SS**  trans-171.569.3168.444.60000111.7
362V52.9Low55.7Low143 Ų143145.8 Ų145.887%0.86777%0.765SS**  trans-153.280.5152.2-175.50000107.9
363N48.8Very low53.9Low155 Ų155147.8 Ų147.883%0.82978%0.783SS**  trans-176.582.9146.6-121-4.2000110.9
364T45.1Very low52.1Low132 Ų132145.4 Ų145.481%0.8179%0.788SS**SBendtrans-173.191.3154.95.80000105.9
365N47.5Very low50.7Low159 Ų159144.6 Ų144.685%0.8580%0.797SS**  trans165.881.8154.9-82.4-14.4000107.7
366N50.4Low49.2Very low173 Ų173137.2 Ų137.293%0.92579%0.792SS**  trans-162.375.4154.1-101.4-8.8000107.6
367A51.1Low48.3Very low102 Ų102136.9 Ų136.984%0.84380%0.802SS**  trans-121.798.7154.900000105.7
368Q53.3Low47.8Very low159 Ų159135.1 Ų135.174%0.74381%0.807SS**  trans-61.3132.6179.7-174.4168.9-44.900110.9D370Q368-D370 PolarHBondContact NE2-OD2 3.36Å
369P46.7Very low47.5Very low123 Ų123137.2 Ų137.280%0.79981%0.813SS**  trans-100106.4164.231.7-20.3000109
370D45.4Very low47.3Very low128 Ų128132.4 Ų132.468%0.68480%0.799SS**  trans-84.3139.1165.2-88.2-46.5000111Q368Q368-D370 PolarHBondContact NE2-OD2 3.36Å
371S43.6Very low46.9Very low106 Ų106127.2 Ų127.274%0.74179%0.794SS**  trans-46.3137.4-177.148.10000117.2
372S43.3Very low46.7Very low107 Ų107126.5 Ų126.575%0.74879%0.794SS**  179.9115.4124.937.30000112.4
373T43.3Very low46.3Very low129 Ų129126.2 Ų126.279%0.79179%0.793SS**  trans44.1115137.5490000120
374T42.6Very low46.1Very low120 Ų120124.5 Ų124.574%0.73679%0.79SS**  157119.698.4-55.70000112
375S49.3Very low45.9Very low116 Ų116124.2 Ų124.281%0.81179%0.794SS**  trans54.9127.6146.970.60000122.6
376G40.6Very low45.6Very low74 Ų74123.4 Ų123.476%0.76380%0.795SS**  trans147.695.8145.800000114.7
377P47.3Very low45Very low131 Ų131119.5 Ų119.585%0.85179%0.786SS**  trans-103.4143.9-173.236.4-27.6000113.3
378S45.3Very low44.5Very low125 Ų125119.3 Ų119.387%0.87479%0.785SS**  trans-158.4129.415154.70000111.1
379N49.3Very low43.7Very low155 Ų155118.3 Ų118.383%0.82978%0.784SS**  trans-97.6-164.6-169.2-153.322.1000109.5
380P49Very low43.4Very low96 Ų96117.9 Ų117.962%0.62378%0.776SS**  -121-171.1-93.736-18000114.1
381T42.5Very low43.2Very low131 Ų131118.9 Ų118.980%0.80478%0.776SS**  trans123.6136.2140.4-45.60000116.6
382A42.9Very low43.1Very low92 Ų92119.6 Ų119.676%0.7677%0.771SS**  trans103.4111155.100000119.9
383T44.8Very low43.1Very low138 Ų138123.1 Ų123.185%0.84777%0.774SS**  trans-48-175.4161.952.70000116.8
384P44.9Very low42.8Very low118 Ų118122.5 Ų122.577%0.76677%0.772SS**  -122.3155.3-81.134.7-15.6000112.4
385S41.2Very low43Very low126 Ų126123.5 Ų123.588%0.88178%0.777SS**  trans-159.4133.7164.152.50000115
386V41.5Very low42.4Very low143 Ų143123 Ų12387%0.86777%0.771SS**  trans-42.8133.8173.1179.40000115.9
387A38.2Very low42.7Very low90 Ų90131.2 Ų131.274%0.74478%0.779SS**  trans173.9102.9140.200000108.3
388A38.9Very low42.5Very low99 Ų99133.6 Ų133.682%0.81878%0.781SS**  55.295.889.100000114.5
389N36.9Very low42.8Very low137 Ų137133.3 Ų133.373%0.73378%0.777SS**  trans-167.6130.9135.2-150.77.9000113.5
390N40.2Very low42.6Very low115 Ų115131.5 Ų131.562%0.61577%0.774SS**  trans58.6140.2143.1-84.7-17000120.1
391Q41.9Very low42.4Very low149 Ų149131.4 Ų131.470%0.69678%0.781SS**  cis-174.716228.3-129.1161.33600110
392N40.8Very low42.5Very low120 Ų120133.1 Ų133.164%0.64279%0.785SS**  trans88.9128.9159.5-64.613.4000118.4
393F43Very low42.3Very low181 Ų181132.6 Ų132.679%0.79478%0.781SS**  cis-164.9147.1-11.9-106.1-72000105.7
394P37.5Very low41.9Very low116 Ų116136.1 Ų136.175%0.75379%0.785SS**  trans-99.3150.4-16935.9-28.2000114
395V46.8Very low41.6Very low141 Ų141135.6 Ų135.686%0.85578%0.781SS**  trans-112.1128.5164-167.90000108.5
396P37.2Very low41.7Very low105 Ų105139 Ų13968%0.68278%0.781SS**  trans-82.7148.7-170.9-6.926.6000111.8
397W47.4Very low41.5Very low247 Ų247143 Ų14394%0.93678%0.782SS**  trans96.865.7171-64.432.2000117
398M41.8Very low42.2Very low181 Ų181144 Ų14489%0.89278%0.78SS**  trans-166.8125.8143.6-109.7165.2153.100109.7
399P53.1Low42.7Very low119 Ų119145 Ų14577%0.77378%0.778SS**  trans-75.2144172.531-30.5000109.7A401P399-A401 PolarHBondContact O-N 2.92Å
400P44.5Very low42.7Very low118 Ų118148.3 Ų148.377%0.76679%0.787SS**  trans-69.2130.2175.617.3-10.7000109.5N402P400-N402 VanDerWaalsContact C-N 3.33Å; P400-N402 PolarHBondContact O-N 2.88Å
401A43.7Very low43.1Very low94 Ų94149.7 Ų149.778%0.77779%0.792SS**SBendtrans-68.394.8165.700000107.4P399P399-A401 PolarHBondContact O-N 2.92Å
402N44.3Very low43.2Very low166 Ų166147.8 Ų147.889%0.88879%0.793SS**  trans166.162.4155.3-82.40.5000109.5P400P400-N402 VanDerWaalsContact C-N 3.33Å; P400-N402 PolarHBondContact O-N 2.88Å
403A40Very low43.5Very low81 Ų81148.2 Ų148.267%0.66980%0.802SS**  trans-16381.8167.900000110.3
404F36.1Very low43.3Very low213 Ų213146.3 Ų146.393%0.93481%0.806SS**  trans-134.1114.3153.2-85.9-74000108.2
405P39Very low43.1Very low106 Ų106147.8 Ų147.869%0.68881%0.807SS**  trans-81.8133.5173.933.5-28.6000108.2
406F41.9Very low42.6Very low199 Ų199148.4 Ų148.487%0.87381%0.806SS**  trans168.474.4151.9-91.2-65.1000108.7
407Y37.2Very low42.6Very low226 Ų226148.5 Ų148.589%0.88681%0.809SS**  trans-145.9122.7154.7-87.3-80.4000107.8
408P54.5Low41.9Very low110 Ų110143 Ų14371%0.71480%0.803SS**PPolyproline II helixtrans-75.8151.9171.732-31.1000110.1
409P48Very low41.7Very low120 Ų120141.2 Ų141.278%0.77980%0.803SS**PPolyproline II helixtrans-77.2131.7178.231.6-30.5000110.1
410F37.3Very low40.7Very low208 Ų208141.5 Ų141.591%0.91280%0.802SS**PPolyproline II helixtrans-85.1122.2170.4-122.6-90.2000109.4
411I49.5Very low40.3Very low143 Ų143145.7 Ų145.773%0.73381%0.811SS**PPolyproline II helixtrans-86.7134.2173.7-59.3166.8000107.7
412P43.8Very low39.8Very low109 Ų109145.4 Ų145.471%0.70881%0.809SS**PPolyproline II helixtrans-76.8136.9174.130.4-30.4000110.5
413P47Very low39.4Very low129 Ų129145.8 Ų145.884%0.83881%0.806SS**PPolyproline II helixtrans-84.5129.4179.232.1-29.9000111.3
414T39.6Very low39.2Very low141 Ų141147.9 Ų147.987%0.86581%0.811SS**PPolyproline II helixtrans-82.7133.5166.239.40000111.1
415N33.2Very low39.1Very low147 Ų147144.2 Ų144.279%0.78681%0.805SS**PPolyproline II helixtrans-46.4138.3172.7-73.4-27.4000114.2
416N35.5Very low39Very low154 Ų154148.4 Ų148.482%0.82481%0.813SS**  175.6149.7118.3-92.1-16.9000113.6
417S37.3Very low39.1Very low107 Ų107144.6 Ų144.675%0.74881%0.808SS**  trans82.892.9156.561.10000120.9
418T33.2Very low39.1Very low132 Ų132139.5 Ų139.581%0.8181%0.805SS**  23.7119.4120.136.10000119.5
419T36.5Very low38.6Very low144 Ų144140.4 Ų140.488%0.88381%0.809SS**  -159.3138.5117.5-14.60000112.5
420T33.2Very low38.5Very low124 Ų124140 Ų14076%0.76181%0.807SS**  trans-72.2144.3-178.141.90000115.1
421Q34.5Very low38.6Very low206 Ų206136 Ų13696%0.96380%0.801SS**  trans-161.4138.6135.3-110.7171.341.200112.5
422A34.2Very low38.2Very low89 Ų89137 Ų13774%0.73681%0.807SS**  trans-72.6154.4-170.900000114.1
423Q34.9Very low37.8Very low174 Ų174141.8 Ų141.881%0.81381%0.812SS**  176129.4111.4-94175.2-4.400114.2
424T36.3Very low37.7Very low125 Ų125142.5 Ų142.577%0.76781%0.808SS**  trans72.9128.7144.259.20000122
425V35.2Very low37.7Very low136 Ų136140 Ų14082%0.82479%0.794SS**  trans-101.2134.6-170.8171.50000110.1
426F36.9Very low38.1Very low193 Ų193138 Ų13885%0.84679%0.789SS**  trans-137.9148.1158.3-77.9-74.7000109.7
427P43Very low38.4Very low119 Ų119140.2 Ų140.277%0.77379%0.792SS**PPolyproline II helixtrans-79155.8-162.732.1-34.4000114.2
428S36.9Very low38.5Very low119 Ų119142.8 Ų142.883%0.83279%0.794SS**PPolyproline II helixtrans-66.6131.9-168.852.50000116.3
429V45.7Very low38.7Very low130 Ų130140.2 Ų140.279%0.78879%0.793SS**PPolyproline II helixtrans-103.5137.4157.7-176.90000107.4
430P44.6Very low38.7Very low112 Ų112141.1 Ų141.173%0.72779%0.79SS**PPolyproline II helixtrans-63140.2-177.925.4-33.4000111L432P430-L432 PolarHBondContact O-N 3.11Å
431P39.6Very low39Very low123 Ų123139.7 Ų139.780%0.79978%0.783SS**PPolyproline II helixtrans-72.2128.5-172.329.1-32000110.4Y433P431-Y433 PolarHBondContact O-N 3.37Å
432L40.2Very low39.4Very low164 Ų164135.1 Ų135.186%0.85976%0.764SS**  trans-62.2113.8157.2-76.9172.6000107.4P430 I434P430-L432 PolarHBondContact O-N 3.11Å; L432-I434 VanDerWaalsContact C-N 3.32Å; L432-I434 PolarHBondContact O-N 3.34Å
433Y36.2Very low39.7Very low209 Ų209137.8 Ų137.882%0.8276%0.764SS**  trans-68.389.9175.8-166.5-93.5000109.1P431 P435P431-Y433 PolarHBondContact O-N 3.37Å; Y433-P435 HydrophobicContact CE1-CB 4.49Å
434I44.6Very low39.9Very low145 Ų145135.2 Ų135.274%0.74475%0.748SS**  trans-84.1115.6163.3-57.9171.7000105.1L432L432-I434 VanDerWaalsContact C-N 3.32Å; L432-I434 PolarHBondContact O-N 3.34Å
435P39.2Very low40Very low89 Ų89134.4 Ų134.458%0.57875%0.745SS**  trans-62.9137.1176.826.6-31.5000108.9Y433Y433-P435 HydrophobicContact CE1-CB 4.49Å
436P42.2Very low40.2Very low104 Ų104130.7 Ų130.768%0.67573%0.734SS**  trans-67139.1-175.628-32.7000110.4M438P436-M438 PolarHBondContact O-N 2.91Å
437F42.4Very low40.1Very low201 Ų201128.7 Ų128.788%0.88273%0.732SS**  trans-67.774.9177.2-138.9-94.9000109.9
438M40Very low39.9Very low160 Ų160130.6 Ų130.679%0.78874%0.735SS**  trans-105125.8168.9-78.8-95.1-142.900107.8P436 M440P436-M438 PolarHBondContact O-N 2.91Å; M438-M440 PolarHBondContact O-N 3.37Å
439G37.1Very low40Very low78 Ų78133 Ų13380%0.80473%0.73SS**  trans-45.1112-172.300000113.1P441G439-P441 VanDerWaalsContact O-CD 3.3Å; G439-P441 WeakPolarHBondContact O-CD 3.39Å
440M35.8Very low39.6Very low163 Ų163131.9 Ų131.980%0.80373%0.729SS**  trans-68.4118.8179.1-68.8-76.2-91.500109M438M438-M440 PolarHBondContact O-N 3.37Å
441P40.6Very low39.4Very low95 Ų95133.9 Ų133.962%0.61773%0.733SS**  trans-64.7140.9167.127.4-31000108.7G439 I443G439-P441 VanDerWaalsContact O-CD 3.3Å; G439-P441 WeakPolarHBondContact O-CD 3.39Å; P441-I443 VanDerWaalsContact C-N 3.34Å; P441-I443 HydrophobicContact CG-CD1 4.41Å; P441-I443 HydrophobicContact CG-CG1 4.34Å; P441-I443 PolarHBondContact O-N 2.99Å
442I41.8Very low39.4Very low110 Ų110131.3 Ų131.356%0.56473%0.729SS**  trans-66.991.3176.5-57.2168.8000108.2Y444I442-Y444 HydrophobicContact CG2-CD2 3.6Å; I442-Y444 HydrophobicContact CG2-CE2 3.34Å; I442-Y444 PolarHBondContact O-N 3.15Å
443I40Very low39.5Very low145 Ų145131 Ų13174%0.74473%0.728SS**  trans-90.3103.9173.6-56.8173.5000107.7P441P441-I443 VanDerWaalsContact C-N 3.34Å; P441-I443 HydrophobicContact CG-CD1 4.41Å; P441-I443 HydrophobicContact CG-CG1 4.34Å; P441-I443 PolarHBondContact O-N 2.99Å
444Y39.4Very low40Very low119 Ų119126.7 Ų126.747%0.46772%0.724SS.*  trans-83.4140.7164.9-80.1-84.3000109.6I442 G446I442-Y444 HydrophobicContact CG2-CD2 3.6Å; I442-Y444 HydrophobicContact CG2-CE2 3.34Å; I442-Y444 PolarHBondContact O-N 3.15Å; Y444-G446 PolarHBondContact O-N 3.06Å; Y444-G446 VanDerWaalsContact O-N 3.15Å
445P38.6Very low40.1Very low109 Ų109125.6 Ų125.671%0.70873%0.726SS**THydrogen-bonded Turntrans-68.5113.6167.428.9-29.1000108
446G39.3Very low40.6Very low58 Ų58129.7 Ų129.760%0.59874%0.74SS**THydrogen-bonded Turntrans152.5-15.8175.100000117.1Y444Y444-G446 PolarHBondContact O-N 3.06Å; Y444-G446 VanDerWaalsContact O-N 3.15Å
447N35.7Very low41.6Very low150 Ų150130.3 Ų130.380%0.80274%0.744SS**  trans-122.366.8177.5-85.842000111.1
448L38.3Very low42.7Very low159 Ų159129.4 Ų129.483%0.83274%0.742SS**  trans-100.748168-75.2172000111.1
449F39.8Very low43.8Very low169 Ų169126.8 Ų126.874%0.74174%0.737SS**  trans-143.987.8157.7-68.8-69.6000106.9N451F449-N451 PolarHBondContact O-N 3.42Å
450S36.5Very low45Very low108 Ų108129 Ų12976%0.75574%0.737SS**  trans-65.5127.9164.5-168.20000107.4G452S450-G452 PolarHBondContact O-N 3.28Å
451N40.8Very low46.1Very low153 Ų153127.7 Ų127.782%0.81874%0.744SS**  trans-53.2127.6170.4-83.2-20000108.9F449 N453F449-N451 PolarHBondContact O-N 3.42Å; N451-N453 PolarHBondContact O-N 2.75Å
452G38.4Very low47.3Very low69 Ų69125.4 Ų125.471%0.71174%0.738SS**SBendtrans-63.9103.3-17300000112S450S450-G452 PolarHBondContact O-N 3.28Å
453N44Very low48.2Very low158 Ų158126 Ų12685%0.84575%0.75SS**  trans-154.624.3162.1-95.85.5000111.5N451 P455N451-N453 PolarHBondContact O-N 2.75Å; N453-P455 WeakPolarHBondContact O-CD 3.3Å
454T45.8Very low49Very low119 Ų119123.6 Ų123.673%0.7374%0.743SS**PPolyproline II helixtrans-75.1119.9170.5470000109
455P47.6Very low50.3Low121 Ų121124.4 Ų124.479%0.78675%0.751SS**PPolyproline II helixtrans-59.7141.9173.5-14.127.8000109.4N453N453-P455 WeakPolarHBondContact O-CD 3.3Å
456M48.8Very low52Low176 Ų176124.4 Ų124.487%0.86775%0.751SS**PPolyproline II helixtrans-59139.9173.6-168.8153.56300109.6E458M456-E458 PolarHBondContact O-N 3.44Å
457P62.9Low53.9Low117 Ų117125 Ų12576%0.7675%0.75SS**PPolyproline II helixtrans-58.3130.8174.8-17.729.2000109.8
458E66.6Low56Low182 Ų182121.5 Ų121.585%0.8573%0.731SS**PPolyproline II helixtrans-67.3136176.9-153.3162.8-168.600109.5M456M456-E458 PolarHBondContact O-N 3.44Å
459P61.6Low58Low105 Ų105119.2 Ų119.268%0.68272%0.716SS**PPolyproline II helixtrans-62.7146.5-179.924.8-32.8000111.1S461P459-S461 PolarHBondContact O-N 3Å
460P63.5Low60.1Low123 Ų123114 Ų11480%0.79970%0.704SS**PPolyproline II helixtrans-57.7128.9177.623-31.7000110.5G462P460-G462 PolarHBondContact O-N 2.86Å; P460-G462 VanDerWaalsContact O-N 3.15Å
461S59.5Low62.5Low136 Ų136117 Ų11795%0.95170%0.699SS**SBendtrans-79.517.7-174.143.40000114.8P459P459-S461 PolarHBondContact O-N 3Å
462G64.7Low64.7Low48 Ų48115.4 Ų115.450%0.49569%0.69SS.*SBendtrans-103.6149.3177.200000112P460P460-G462 PolarHBondContact O-N 2.86Å; P460-G462 VanDerWaalsContact O-N 3.15Å
463P61.5Low67.1Low123 Ų123119.8 Ų119.880%0.79969%0.685SS**PPolyproline II helixtrans-58.8137.4170.726.1-31.9000109.2E465P463-E465 PolarHBondContact O-N 2.89Å
464P56.9Low69.2Low93 Ų93114.9 Ų114.960%0.60467%0.667SS**PPolyproline II helixtrans-64121.6-17925.5-31.7000109.3E469P464-E469 HydrophobicContact CB-CB 4.45Å
465E64.9Low71.1Confident137 Ų137111.9 Ų111.964%0.6465%0.65SS**PPolyproline II helixtrans-66.1130.8162.4-86.9-153.1148.700108P463 A467 D468 E469P463-E465 PolarHBondContact O-N 2.89Å; E465-A467 PolarHBondContact O-N 3.36Å; E465-D468 PolarHBondContact O-N 3Å; E465-E469 PolarHBondContact O-N 3.18Å
466P75.4Confident73.2Confident109 Ų109107.9 Ų107.971%0.70863%0.628SS**Hα-helixtrans-59.9-24.4-174.521.5-32000112.9A470P466-A470 VanDerWaalsContact O-CB 3.25Å; P466-A470 WeakPolarHBondContact O-CB 3.33Å; P466-A470 PolarHBondContact O-N 3.24Å; P466-A470 VanDerWaalsContact O-N 3.16Å
467A79.4Confident75.2Confident69 Ų69104.1 Ų104.157%0.5761%0.608SS**Hα-helixtrans-73.3-40.6176.300000113.1E465 R471E465-A467 PolarHBondContact O-N 3.36Å; A467-R471 WeakPolarHBondContact O-CB 3.46Å; A467-R471 PolarHBondContact O-N 3.26Å
468D79.3Confident76.5Confident77 Ų77101.2 Ų101.241%0.41259%0.594SS.*Hα-helixtrans-72.9-38.4179.8-91.4-27.5000111.6E465 R471 L472E465-D468 PolarHBondContact O-N 3Å; D468-R471 PolarHBondContact O-N 3.13Å; D468-R471 IonicContact OD1-CZ 3.44Å; D468-R471 IonicContact OD1-NE 3.96Å; D468-R471 IonicContact OD1-NH2 3.78Å; D468-L472 WeakPolarHBondContact O-CB 3.31Å; D468-L472 WeakPolarHBondContact O-CG 3.28Å; D468-L472 PolarHBondContact O-N 3.4Å
469E81.1Confident77.6Confident112 Ų112101 Ų10152%0.52359%0.585SS.*Hα-helixtrans-64.3-44.4173.8-171.5175.4174.800111.4P464 E465 R471 L472 R473P464-E469 HydrophobicContact CB-CB 4.45Å; E465-E469 PolarHBondContact O-N 3.18Å; E469-R471 VanDerWaalsContact C-N 3.31Å; E469-R471 PolarHBondContact O-N 3.13Å; E469-L472 PolarHBondContact O-N 3.07Å; E469-R473 VanDerWaalsContact O-CB 3.27Å; E469-R473 WeakPolarHBondContact O-CB 3.33Å; E469-R473 PolarHBondContact O-N 2.99Å
470A82.7Confident79Confident58 Ų58102.9 Ų102.948%0.47958%0.583SS.*Hα-helixtrans-60.3-40.3174.400000112P466 R473 A474P466-A470 VanDerWaalsContact O-CB 3.25Å; P466-A470 WeakPolarHBondContact O-CB 3.33Å; P466-A470 PolarHBondContact O-N 3.24Å; P466-A470 VanDerWaalsContact O-N 3.16Å; A470-R473 PolarHBondContact O-N 3.04Å; A470-A474 VanDerWaalsContact O-CB 3.29Å; A470-A474 WeakPolarHBondContact O-CB 3.44Å; A470-A474 PolarHBondContact O-N 3.39Å
471R87.8Confident80.4Confident173 Ų173101 Ų10165%0.65357%0.569SS**Hα-helixtrans-66.9-43.9177.1-170.1177.370.3153.4-2.8112.2A467 D468 E469 S475A467-R471 WeakPolarHBondContact O-CB 3.46Å; A467-R471 PolarHBondContact O-N 3.26Å; D468-R471 PolarHBondContact O-N 3.13Å; D468-R471 IonicContact OD1-CZ 3.44Å; D468-R471 IonicContact OD1-NE 3.96Å; D468-R471 IonicContact OD1-NH2 3.78Å; E469-R471 VanDerWaalsContact C-N 3.31Å; E469-R471 PolarHBondContact O-N 3.13Å; R471-S475 WeakPolarHBondContact O-CB 3.39Å; R471-S475 PolarHBondContact O-N 2.78Å
472L86.3Confident81.9Confident119 Ų11996.4 Ų96.462%0.62354%0.539SS*.Hα-helixtrans-64.8-41176.4-74.8169.7000111.3D468 E469 S475 A476D468-L472 WeakPolarHBondContact O-CB 3.31Å; D468-L472 WeakPolarHBondContact O-CG 3.28Å; D468-L472 PolarHBondContact O-N 3.4Å; E469-L472 PolarHBondContact O-N 3.07Å; L472-S475 WeakPolarHBondContact O-CB 3.28Å; L472-S475 PolarHBondContact O-N 3.31Å; L472-A476 WeakPolarHBondContact O-CB 3.4Å; L472-A476 PolarHBondContact O-N 3.22Å
473R88.3Confident83.2Confident160 Ų16099.4 Ų99.460%0.60454%0.544SS*.Hα-helixtrans-65-47.2176.3-168.7-177.6177.498.65.7111.8E469 A470 S475 A476 E477E469-R473 VanDerWaalsContact O-CB 3.27Å; E469-R473 WeakPolarHBondContact O-CB 3.33Å; E469-R473 PolarHBondContact O-N 2.99Å; A470-R473 PolarHBondContact O-N 3.04Å; R473-S475 VanDerWaalsContact C-N 3.3Å; R473-S475 PolarHBondContact O-N 2.99Å; R473-A476 PolarHBondContact O-N 3.28Å; R473-A476 VanDerWaalsContact O-N 3.07Å; R473-E477 HydrophobicContact CG-CG 4.46Å; R473-E477 IonicContact CZ-OE1 3.55Å; R473-E477 IonicContact NE-OE1 3.98Å; R473-E477 PolarHBondContact NE-OE1 2.99Å; R473-E477 IonicContact NH2-OE1 3.85Å; R473-E477 PolarHBondContact NH2-OE1 3.05Å; R473-E477 WeakPolarHBondContact O-CB 3.43Å; R473-E477 WeakPolarHBondContact O-CG 3.48Å; R473-E477 PolarHBondContact O-N 3.14Å
474A88.1Confident84.8Confident56 Ų56102.8 Ų102.846%0.46354%0.54SS..Hα-helixtrans-60.1-40.3175.100000111.8A470 A476 A478A470-A474 VanDerWaalsContact O-CB 3.29Å; A470-A474 WeakPolarHBondContact O-CB 3.44Å; A470-A474 PolarHBondContact O-N 3.39Å; A474-A476 PolarHBondContact O-N 3.45Å; A474-A478 VanDerWaalsContact O-CB 3.28Å; A474-A478 WeakPolarHBondContact O-CB 3.43Å; A474-A478 PolarHBondContact O-N 3.17Å
475S87.6Confident86.5Confident55 Ų55104.7 Ų104.739%0.38554%0.541SS..Hα-helixtrans-61.8-39.8172.6165.10000112.6R471 L472 R473 R479R471-S475 WeakPolarHBondContact O-CB 3.39Å; R471-S475 PolarHBondContact O-N 2.78Å; L472-S475 WeakPolarHBondContact O-CB 3.28Å; L472-S475 PolarHBondContact O-N 3.31Å; R473-S475 VanDerWaalsContact C-N 3.3Å; R473-S475 PolarHBondContact O-N 2.99Å; S475-R479 WeakPolarHBondContact O-CG 3.42Å; S475-R479 PolarHBondContact O-N 3.14Å
476A90Very high87.8Confident38 Ų38103.1 Ų103.131%0.31454%0.536SS..Hα-helixtrans-71-46.8179.100000110.8L472 R473 A474 A478 R479 F480L472-A476 WeakPolarHBondContact O-CB 3.4Å; L472-A476 PolarHBondContact O-N 3.22Å; R473-A476 PolarHBondContact O-N 3.28Å; R473-A476 VanDerWaalsContact O-N 3.07Å; A474-A476 PolarHBondContact O-N 3.45Å; A476-A478 VanDerWaalsContact C-N 3.33Å; A476-A478 PolarHBondContact O-N 3.47Å; A476-R479 WeakPolarHBondContact O-CB 3.33Å; A476-R479 PolarHBondContact O-N 3.07Å; A476-R479 VanDerWaalsContact O-N 3.09Å; A476-F480 HydrophobicContact CB-CD2 4.49Å; A476-F480 HydrophobicContact CB-CE2 4.31Å; A476-F480 WeakPolarHBondContact O-CD2 3.48Å; A476-F480 PolarHBondContact O-N 2.97Å
477E92.1Very high88.7Confident96 Ų96102.2 Ų102.245%0.44953%0.525SS..Hα-helixtrans-59.5-41.9177-72.2174.6-177.800111.5R473 R479 F480 T481R473-E477 HydrophobicContact CG-CG 4.46Å; R473-E477 IonicContact CZ-OE1 3.55Å; R473-E477 IonicContact NE-OE1 3.98Å; R473-E477 PolarHBondContact NE-OE1 2.99Å; R473-E477 IonicContact NH2-OE1 3.85Å; R473-E477 PolarHBondContact NH2-OE1 3.05Å; R473-E477 WeakPolarHBondContact O-CB 3.43Å; R473-E477 WeakPolarHBondContact O-CG 3.48Å; R473-E477 PolarHBondContact O-N 3.14Å; E477-R479 VanDerWaalsContact C-N 3.34Å; E477-R479 PolarHBondContact O-N 2.92Å; E477-F480 PolarHBondContact O-N 2.87Å; E477-T481 WeakPolarHBondContact O-CG2 3.46Å; E477-T481 PolarHBondContact O-N 2.92Å; E477-T481 PolarHBondContact O-OG1 3.28Å; E477-T481 VanDerWaalsContact O-OG1 3.05Å
478A90.3Very high89.3Confident57 Ų57103 Ų10347%0.47152%0.523SS..Hα-helixtrans-63.1-35.617400000113.3A474 A476 T481 A482A474-A478 VanDerWaalsContact O-CB 3.28Å; A474-A478 WeakPolarHBondContact O-CB 3.43Å; A474-A478 PolarHBondContact O-N 3.17Å; A476-A478 VanDerWaalsContact C-N 3.33Å; A476-A478 PolarHBondContact O-N 3.47Å; A478-T481 WeakPolarHBondContact CA-OG1 2.91Å; A478-T481 PolarHBondContact O-OG1 2.77Å; A478-A482 WeakPolarHBondContact O-CB 3.46Å; A478-A482 PolarHBondContact O-N 3.46Å; A478-A482 VanDerWaalsContact O-N 3.11Å
479R89.6Confident90Very high177 Ų177105.2 Ų105.267%0.66853%0.534SS*.Hα-helixtrans-71-40.8174.3-76.5175.2172.9-180-0.7111.5S475 A476 E477 A482 L483S475-R479 WeakPolarHBondContact O-CG 3.42Å; S475-R479 PolarHBondContact O-N 3.14Å; A476-R479 WeakPolarHBondContact O-CB 3.33Å; A476-R479 PolarHBondContact O-N 3.07Å; A476-R479 VanDerWaalsContact O-N 3.09Å; E477-R479 VanDerWaalsContact C-N 3.34Å; E477-R479 PolarHBondContact O-N 2.92Å; R479-A482 PolarHBondContact O-N 2.93Å; R479-L483 WeakPolarHBondContact O-CG 3.22Å; R479-L483 PolarHBondContact O-N 3.26Å
480F91.1Very high90.6Very high145 Ų145105 Ų10564%0.63654%0.536SS*.Hα-helixtrans-65.3-41.8177-75.7-61.9000112.2A476 E477 L483 R484A476-F480 HydrophobicContact CB-CD2 4.49Å; A476-F480 HydrophobicContact CB-CE2 4.31Å; A476-F480 WeakPolarHBondContact O-CD2 3.48Å; A476-F480 PolarHBondContact O-N 2.97Å; E477-F480 PolarHBondContact O-N 2.87Å; F480-L483 PolarHBondContact O-N 3.4Å; F480-R484 WeakPolarHBondContact O-CB 3.44Å; F480-R484 PolarHBondContact O-N 3.33Å
481T91.7Very high91Very high82 Ų82106.3 Ų106.350%0.50354%0.535SS..Hα-helixtrans-64.9-42175.349.70000111.8E477 A478 L483 R484 Q485E477-T481 WeakPolarHBondContact O-CG2 3.46Å; E477-T481 PolarHBondContact O-N 2.92Å; E477-T481 PolarHBondContact O-OG1 3.28Å; E477-T481 VanDerWaalsContact O-OG1 3.05Å; A478-T481 WeakPolarHBondContact CA-OG1 2.91Å; A478-T481 PolarHBondContact O-OG1 2.77Å; T481-L483 PolarHBondContact O-N 2.96Å; T481-R484 PolarHBondContact O-N 3.47Å; T481-Q485 WeakPolarHBondContact O-CG 3.33Å; T481-Q485 PolarHBondContact O-N 2.95Å
482A91.7Very high91.2Very high40 Ų40100.2 Ų100.233%0.33152%0.522SS..Hα-helixtrans-60.7-44.517400000112.3A478 R479 R484 Q485 I486A478-A482 WeakPolarHBondContact O-CB 3.46Å; A478-A482 PolarHBondContact O-N 3.46Å; A478-A482 VanDerWaalsContact O-N 3.11Å; R479-A482 PolarHBondContact O-N 2.93Å; A482-R484 VanDerWaalsContact C-N 3.34Å; A482-R484 PolarHBondContact O-N 2.95Å; A482-Q485 PolarHBondContact O-N 3.5Å; A482-I486 VanDerWaalsContact O-CG1 3.29Å; A482-I486 WeakPolarHBondContact O-CG1 3.38Å; A482-I486 PolarHBondContact O-N 3.13Å
483L92.2Very high91.4Very high111 Ų11197 Ų9758%0.58151%0.513SS*.Hα-helixtrans-63.6-39176.1-73.5172.3000112.3R479 F480 T481 I486 N487R479-L483 WeakPolarHBondContact O-CG 3.22Å; R479-L483 PolarHBondContact O-N 3.26Å; F480-L483 PolarHBondContact O-N 3.4Å; T481-L483 PolarHBondContact O-N 2.96Å; L483-I486 PolarHBondContact O-N 3.26Å; L483-N487 PolarHBondContact O-N 2.87Å
484R93.8Very high91.6Very high194 Ų19492.9 Ų92.973%0.73251%0.505SS*.Hα-helixtrans-65.2-41.7175.7-169.4177.1-179.4-178.8-0.1111.5F480 T481 A482 N487 V488F480-R484 WeakPolarHBondContact O-CB 3.44Å; F480-R484 PolarHBondContact O-N 3.33Å; T481-R484 PolarHBondContact O-N 3.47Å; A482-R484 VanDerWaalsContact C-N 3.34Å; A482-R484 PolarHBondContact O-N 2.95Å; R484-N487 PolarHBondContact O-N 2.8Å; R484-V488 WeakPolarHBondContact O-CG2 3.43Å; R484-V488 PolarHBondContact O-N 3.47Å
485Q93.3Very high91.8Very high133 Ų13396 Ų9662%0.62151%0.513SS*.Hα-helixtrans-61.6-44.3174-76.2177.4-16.800111.8T481 A482 N487 V488 L489T481-Q485 WeakPolarHBondContact O-CG 3.33Å; T481-Q485 PolarHBondContact O-N 2.95Å; A482-Q485 PolarHBondContact O-N 3.5Å; Q485-N487 VanDerWaalsContact C-N 3.31Å; Q485-N487 PolarHBondContact O-N 3.48Å; Q485-V488 PolarHBondContact O-N 3.21Å; Q485-L489 WeakPolarHBondContact O-CG 3.49Å; Q485-L489 PolarHBondContact O-N 3.26Å
486I91.6Very high91.9Very high105 Ų105100.3 Ų100.354%0.53853%0.527SS..Hα-helixtrans-60-42.2175.3-68.3164.7000110.8A482 L483 L489 L490A482-I486 VanDerWaalsContact O-CG1 3.29Å; A482-I486 WeakPolarHBondContact O-CG1 3.38Å; A482-I486 PolarHBondContact O-N 3.13Å; L483-I486 PolarHBondContact O-N 3.26Å; I486-L489 PolarHBondContact O-N 2.82Å; I486-L490 WeakPolarHBondContact O-CB 3.41Å; I486-L490 PolarHBondContact O-N 3.24Å
487N94.1Very high91.9Very high89 Ų89104.3 Ų104.348%0.47654%0.541SS..Hα-helixtrans-63.9-43.5177.7-169.7-72.8000112L483 R484 Q485 L490 N491L483-N487 PolarHBondContact O-N 2.87Å; R484-N487 PolarHBondContact O-N 2.8Å; Q485-N487 VanDerWaalsContact C-N 3.31Å; Q485-N487 PolarHBondContact O-N 3.48Å; N487-L490 PolarHBondContact O-N 3.31Å; N487-N491 VanDerWaalsContact O-CG 3.28Å; N487-N491 PolarHBondContact O-N 2.97Å; N487-N491 PolarHBondContact O-ND2 3.2Å; N487-N491 PolarHBondContact OD1-ND2 2.87Å
488V93.5Very high91.8Very high87 Ų87103.6 Ų103.653%0.52754%0.54SS..Hα-helixtrans-61.6-44.6175.9172.20000111.3R484 Q485 L490 N491 A492R484-V488 WeakPolarHBondContact O-CG2 3.43Å; R484-V488 PolarHBondContact O-N 3.47Å; Q485-V488 PolarHBondContact O-N 3.21Å; V488-L490 VanDerWaalsContact C-N 3.34Å; V488-L490 PolarHBondContact O-N 3.5Å; V488-N491 PolarHBondContact O-N 2.99Å; V488-A492 WeakPolarHBondContact O-CB 3.43Å; V488-A492 PolarHBondContact O-N 3.02Å
489L93.5Very high91.7Very high123 Ų123103.8 Ų103.864%0.64454%0.542SS*.Hα-helixtrans-63-40176.3-72.5170.2000112Q485 I486 A492 A493Q485-L489 WeakPolarHBondContact O-CG 3.49Å; Q485-L489 PolarHBondContact O-N 3.26Å; I486-L489 PolarHBondContact O-N 2.82Å; L489-A492 PolarHBondContact O-N 3.29Å; L489-A493 WeakPolarHBondContact O-CB 3.33Å; L489-A493 PolarHBondContact O-N 2.98Å
490L92.7Very high91.5Very high108 Ų108103.5 Ų103.557%0.56554%0.542SS*.Hα-helixtrans-64.8-44.7176.9-167.573.9000111.3I486 N487 V488 A492 A493 V494I486-L490 WeakPolarHBondContact O-CB 3.41Å; I486-L490 PolarHBondContact O-N 3.24Å; N487-L490 PolarHBondContact O-N 3.31Å; V488-L490 VanDerWaalsContact C-N 3.34Å; V488-L490 PolarHBondContact O-N 3.5Å; L490-A492 PolarHBondContact O-N 3.16Å; L490-A493 PolarHBondContact O-N 2.98Å; L490-V494 WeakPolarHBondContact O-CG2 3.35Å; L490-V494 PolarHBondContact O-N 3.01Å
491N92.9Very high91.4Very high85 Ų85100.9 Ų100.946%0.45553%0.534SS..Hα-helixtrans-64-40.5177-66.7-25.1000111.7N487 V488 V494 L495N487-N491 VanDerWaalsContact O-CG 3.28Å; N487-N491 PolarHBondContact O-N 2.97Å; N487-N491 PolarHBondContact O-ND2 3.2Å; N487-N491 PolarHBondContact OD1-ND2 2.87Å; V488-N491 PolarHBondContact O-N 2.99Å; N491-V494 PolarHBondContact O-N 3.12Å; N491-L495 PolarHBondContact O-N 3.18Å
492A91.9Very high91.1Very high45 Ų45102.3 Ų102.337%0.37254%0.539SS..Hα-helixtrans-62.7-42.5174.700000111.9V488 L489 L490 L495 Q496V488-A492 WeakPolarHBondContact O-CB 3.43Å; V488-A492 PolarHBondContact O-N 3.02Å; L489-A492 PolarHBondContact O-N 3.29Å; L490-A492 PolarHBondContact O-N 3.16Å; A492-L495 PolarHBondContact O-N 3.36Å; A492-Q496 WeakPolarHBondContact O-CG 3.43Å; A492-Q496 PolarHBondContact O-N 3.33Å
493A90.5Very high90.7Very high52 Ų52103.6 Ų103.643%0.4355%0.549SS..Hα-helixtrans-63.8-40.8176.200000112.2L489 L490 Q496 M497L489-A493 WeakPolarHBondContact O-CB 3.33Å; L489-A493 PolarHBondContact O-N 2.98Å; L490-A493 PolarHBondContact O-N 2.98Å; A493-Q496 PolarHBondContact O-N 3.39Å; A493-M497 WeakPolarHBondContact O-CB 3.41Å; A493-M497 PolarHBondContact O-N 3.03Å
494V92.4Very high90.3Very high72 Ų72101.7 Ų101.744%0.43655%0.549SS..Hα-helixtrans-65-42.1175.6171.90000111.2L490 N491 M497 N498L490-V494 WeakPolarHBondContact O-CG2 3.35Å; L490-V494 PolarHBondContact O-N 3.01Å; N491-V494 PolarHBondContact O-N 3.12Å; V494-M497 PolarHBondContact O-N 3.43Å; V494-N498 PolarHBondContact O-N 3.48Å
495L91.4Very high89.6Confident121 Ų12196.6 Ų96.663%0.63454%0.543SS*.Hα-helixtrans-61.6-43.9174.7-83.2162.3000112.1N491 A492 N498 A499N491-L495 PolarHBondContact O-N 3.18Å; A492-L495 PolarHBondContact O-N 3.36Å; L495-N498 PolarHBondContact O-N 2.86Å; L495-A499 WeakPolarHBondContact O-CB 3.34Å; L495-A499 PolarHBondContact O-N 2.89Å
496Q90.9Very high88.2Confident146 Ų14694 Ų9468%0.68254%0.539SS*.Hα-helixtrans-63.1-41.4175.3-76.4-178.4-17.500112A492 A493 A499 Y500A492-Q496 WeakPolarHBondContact O-CG 3.43Å; A492-Q496 PolarHBondContact O-N 3.33Å; A493-Q496 PolarHBondContact O-N 3.39Å; Q496-A499 PolarHBondContact O-N 3.36Å; Q496-Y500 WeakPolarHBondContact O-CB 3.11Å; Q496-Y500 PolarHBondContact O-N 3.21Å
497M88.7Confident86.9Confident123 Ų12394.2 Ų94.261%0.60655%0.548SS*.Hα-helixtrans-62-43.6176.1-173.4175.6-179.900111.5A493 V494 Y500 L501A493-M497 WeakPolarHBondContact O-CB 3.41Å; A493-M497 PolarHBondContact O-N 3.03Å; V494-M497 PolarHBondContact O-N 3.43Å; M497-Y500 PolarHBondContact O-N 3.1Å; M497-L501 HydrophobicContact CG-CD1 4.34Å; M497-L501 WeakPolarHBondContact O-CG 3.4Å; M497-L501 PolarHBondContact O-N 3.43Å
498N90.5Very high84.9Confident81 Ų8195.8 Ų95.843%0.43356%0.563SS.*Hα-helixtrans-66.3-39.8176.9-71.6-18.3000112.2V494 L495 Y500 L501 N502V494-N498 PolarHBondContact O-N 3.48Å; L495-N498 PolarHBondContact O-N 2.86Å; N498-Y500 VanDerWaalsContact C-N 3.33Å; N498-Y500 PolarHBondContact O-N 3Å; N498-L501 PolarHBondContact O-N 3.12Å; N498-N502 VanDerWaalsContact O-CG 3.3Å; N498-N502 PolarHBondContact O-N 3.12Å
499A87.7Confident82.8Confident61 Ų6197.3 Ų97.350%0.50458%0.578SS.*Hα-helixtrans-62.2-41.2174.600000111.9L495 Q496 N502 A503L495-A499 WeakPolarHBondContact O-CB 3.34Å; L495-A499 PolarHBondContact O-N 2.89Å; Q496-A499 PolarHBondContact O-N 3.36Å; A499-N502 PolarHBondContact O-N 2.94Å; A499-A503 PolarHBondContact O-N 3.46Å
500Y86.3Confident80.4Confident171 Ų171100.2 Ų100.267%0.67159%0.588SS**Hα-helixtrans-63.9-44.9175.1-179.1-93000112.1Q496 M497 N498 N502 A503 A504Q496-Y500 WeakPolarHBondContact O-CB 3.11Å; Q496-Y500 PolarHBondContact O-N 3.21Å; M497-Y500 PolarHBondContact O-N 3.1Å; N498-Y500 VanDerWaalsContact C-N 3.33Å; N498-Y500 PolarHBondContact O-N 3Å; Y500-N502 VanDerWaalsContact C-N 3.32Å; Y500-N502 PolarHBondContact O-N 3.08Å; Y500-A503 PolarHBondContact O-N 3.37Å; Y500-A504 WeakPolarHBondContact O-CB 3.47Å; Y500-A504 PolarHBondContact O-N 3.19Å
501L88.8Confident78.1Confident90 Ų90100.3 Ų100.347%0.47160%0.597SS.*Hα-helixtrans-60.8-41.1177-72.7168.8000111.9M497 N498 A504 S505M497-L501 HydrophobicContact CG-CD1 4.34Å; M497-L501 WeakPolarHBondContact O-CG 3.4Å; M497-L501 PolarHBondContact O-N 3.43Å; N498-L501 PolarHBondContact O-N 3.12Å; L501-A504 PolarHBondContact O-N 3.06Å; L501-S505 WeakPolarHBondContact O-CB 3.33Å; L501-S505 PolarHBondContact O-N 2.82Å; L501-S505 PolarHBondContact O-OG 3.31Å
502N85.6Confident75.4Confident112 Ų112105.4 Ų105.460%0.59962%0.619SS**Hα-helixtrans-63.5-45.8176-70.8-13.2000111.7N498 A499 Y500 A504 S505 S506N498-N502 VanDerWaalsContact O-CG 3.3Å; N498-N502 PolarHBondContact O-N 3.12Å; A499-N502 PolarHBondContact O-N 2.94Å; Y500-N502 VanDerWaalsContact C-N 3.32Å; Y500-N502 PolarHBondContact O-N 3.08Å; N502-A504 VanDerWaalsContact C-N 3.34Å; N502-A504 PolarHBondContact O-N 3.06Å; N502-S505 PolarHBondContact O-N 2.95Å; N502-S505 PolarHBondContact O-OG 2.94Å; N502-S506 PolarHBondContact O-N 3.2Å
503A83.5Confident72.8Confident66 Ų66108.9 Ų108.955%0.54564%0.637SS.*Hα-helixtrans-66-33.5176.900000113A499 Y500 S505 S506A499-A503 PolarHBondContact O-N 3.46Å; Y500-A503 PolarHBondContact O-N 3.37Å; A503-S505 VanDerWaalsContact C-N 3.3Å; A503-S506 PolarHBondContact O-OG 3.16Å
504A82.3Confident70Confident71 Ų71115.3 Ų115.359%0.58766%0.661SS**Hα-helixtrans-72-24.8175.100000112.7Y500 L501 N502Y500-A504 WeakPolarHBondContact O-CB 3.47Å; Y500-A504 PolarHBondContact O-N 3.19Å; L501-A504 PolarHBondContact O-N 3.06Å; N502-A504 VanDerWaalsContact C-N 3.34Å; N502-A504 PolarHBondContact O-N 3.06Å
505S78.8Confident67.4Low88 Ų88118.1 Ų118.162%0.61568%0.678SS**Hα-helixtrans-87.7-15.217970.90000114.5L501 N502 A503L501-S505 WeakPolarHBondContact O-CB 3.33Å; L501-S505 PolarHBondContact O-N 2.82Å; L501-S505 PolarHBondContact O-OG 3.31Å; N502-S505 PolarHBondContact O-N 2.95Å; N502-S505 PolarHBondContact O-OG 2.94Å; A503-S505 VanDerWaalsContact C-N 3.3Å
506S65.7Low64.7Low77 Ų77117 Ų11754%0.53868%0.68SS.*SBendtrans-72.1126.3177.256.60000110.5N502 A503N502-S506 PolarHBondContact O-N 3.2Å; A503-S506 PolarHBondContact O-OG 3.16Å
507P62.6Low62.3Low110 Ų110117.7 Ų117.771%0.71469%0.687SS**  trans-63.3147.4176.226.5-33.1000110.3S509P507-S509 PolarHBondContact O-N 3.11Å
508P53.5Low59.9Low123 Ų123118.5 Ų118.580%0.79969%0.694SS**  trans-63.5112.7177.625.8-31.2000109.1E510P508-E510 PolarHBondContact O-N 3.27Å; P508-E510 VanDerWaalsContact O-N 3.11Å
509S48.9Very low57.3Low119 Ų119121.1 Ų121.183%0.83271%0.713SS**  trans-68105.9167.555.40000108.1P507 S511P507-S509 PolarHBondContact O-N 3.11Å; S509-S511 PolarHBondContact O-N 3.2Å
510E43.2Very low54.9Low184 Ų184122.6 Ų122.686%0.8673%0.725SS**  trans-59.2130.2168.6-80.8178.6147.400110.1P508P508-E510 PolarHBondContact O-N 3.27Å; P508-E510 VanDerWaalsContact O-N 3.11Å
511S44Very low52.3Low109 Ų109121.6 Ų121.676%0.76273%0.731SS**  trans-23.2122.3166.349.60000116.9S509S509-S511 PolarHBondContact O-N 3.2Å
512E35.8Very low49.8Very low193 Ų193125.3 Ų125.390%0.90275%0.751SS**  trans-80.6132153.4-73.3-169.1157.100110.5
513P37.7Very low47.3Very low117 Ų117124.7 Ų124.776%0.7675%0.751SS**  trans-101.1133.3151.830.3-19.1000110.6
514M31.5Very low45Very low187 Ų187127.8 Ų127.892%0.92176%0.759SS**  trans-43.4132.5177.9-66.6-155.9-84.500115.2
515T37.4Very low42.9Very low132 Ų132131 Ų13181%0.8177%0.766SS**  trans-165.8113.6137.11.30000112.6
516S36.3Very low40.9Very low97 Ų97132.7 Ų132.768%0.67877%0.773SS**  trans36.2128.114461.20000120.8
517I39.6Very low39.5Very low160 Ų160136.7 Ų136.782%0.82178%0.783SS**  -175.2107.7110-84.6147.8000109.9
518N38Very low38.2Very low141 Ų141135.7 Ų135.775%0.75478%0.778SS**  trans-7.2134.4146.7-58.2-25.2000118.7
519T36.7Very low37.4Very low136 Ų136136.6 Ų136.683%0.83478%0.776SS**  134132.8112.6-42.80000115.2
520A36.8Very low36.9Very low91 Ų91137.8 Ų137.875%0.75277%0.772SS**  trans83.696.2152.700000119.7
521L32.1Very low36.5Very low150 Ų150137 Ų13779%0.78577%0.768SS**  trans-48.5145.4142.7-73.291.2000112
522N36.7Very low36Very low168 Ų168138.5 Ų138.590%0.89876%0.763SS**  trans-146.8136131.5-99.2-16.9000109.6
523T33Very low36Very low99 Ų99139.1 Ų139.161%0.60776%0.763SS**  trans-85.4-177.9-168.245.10000112.9
524D35.7Very low35.9Very low132 Ų132141.4 Ų141.471%0.70676%0.763SS**  trans97.7120159.5-48.5-11.5000112.5
525N36.8Very low35.8Very low139 Ų139136.8 Ų136.874%0.74376%0.755SS**  cis-175.8155.433.3-112.5-18.9000111.9
526V37.7Very low35.7Very low123 Ų123137.9 Ų137.975%0.74576%0.755SS**  trans74.2138.9141.6176.60000119.2
527E35.2Very low35.6Very low161 Ų161139.7 Ų139.775%0.75276%0.755SS**  cis179.2142.5-23.2-162.1158.7159.200108.3
528S35.4Very low35.3Very low88 Ų88139 Ų13962%0.61575%0.754SS**  trans56.1124.5151.264.30000122.7
529N36.6Very low35.1Very low142 Ų142139.7 Ų139.776%0.75976%0.757SS**  -178.1122.2105.3-93.8-34.1000115.1
530I37.9Very low35.1Very low144 Ų144140 Ų14074%0.73876%0.758SS**  trans91.592.5137.5-56.3162.7000119.9
531E35.7Very low34.7Very low168 Ų168144.8 Ų144.879%0.78576%0.763SS**  6.1158.8120.6-77.3165.4148.500118.7
532E33.6Very low34.7Very low140 Ų140142.5 Ų142.565%0.65476%0.756SS**  cis171.2132-3.4172.5-176.914600103.7
533K36.4Very low34.4Very low207 Ų207142 Ų14290%0.975%0.749SS**  trans-173.3128.8140.8-117.6178176178.20114.2
534E33.8Very low34.3Very low164 Ų164145.7 Ų145.777%0.76676%0.764SS**  trans-77.1155.7-172.8-64.5165.4109.800116.1
535A29.7Very low34.1Very low90 Ų90147.9 Ų147.974%0.74477%0.77SS**  trans45122.7131.200000121.7
536L35.6Very low33.9Very low155 Ų155146.1 Ų146.181%0.81277%0.768SS**  trans-153.1105.8140-127.5123.8000112.5
537I35Very low33.5Very low135 Ų135148.2 Ų148.269%0.69278%0.776SS**  trans72.2100132.3-55.2-178.6000119.8
538N33.1Very low33.3Very low147 Ų147144.3 Ų144.379%0.78678%0.779SS**  34.9149.8113.6-66.5-13.6000123
539D33.3Very low33Very low155 Ų155150.4 Ų150.483%0.82979%0.794SS**  trans88.599.8161-75.7-23.5000118.7
540V36.4Very low32.6Very low141 Ų141149 Ų14986%0.85579%0.793SS**  177114.6101.3163.60000108.7
541K28.5Very low32.4Very low193 Ų193147.7 Ų147.784%0.83980%0.795SS**  trans-128.7137160.4-164.1-172.6177.4-179.10106.1
542P33.2Very low32.3Very low101 Ų101147.5 Ų147.566%0.65680%0.798SS**  -147.4132.710626.7-4.7000112.6
543Q28.8Very low32.3Very low159 Ų159145.2 Ų145.274%0.74380%0.804SS**  101.2114.7104.2-82.2-168.1-13.500114.2
544L31.9Very low32.5Very low176 Ų176139.4 Ų139.492%0.92179%0.789SS**  trans-169.294.3134.7-105.4144.7000108.6
545E30.7Very low32.9Very low177 Ų177138.6 Ų138.683%0.82779%0.785SS**  trans-68135.3154-81163.4110.900109
546S32.8Very low33.6Very low102 Ų102141 Ų14171%0.71379%0.786SS**  156117.8118.879.40000110.7
547D30.2Very low34.1Very low168 Ų168137.2 Ų137.290%0.89877%0.772SS**  trans50.7107141.7-60.9-22.6000120.3
548G31.3Very low35Very low79 Ų79137 Ų13781%0.81477%0.768SS**  trans-169.571.1166.600000112C550G548-C550 PolarHBondContact O-N 3.32Å
549K29.2Very low36Very low216 Ų216137 Ų13794%0.93976%0.761SS**  trans-67.9112.2171.9-170.7155.4-173170.10109.5
550C28.3Very low37.4Very low111 Ų111134 Ų13475%0.7575%0.749SS**  trans-138.8120.8167.6-134.70000109.1G548 L552G548-C550 PolarHBondContact O-N 3.32Å; C550-L552 PolarHBondContact O-N 3.32Å
551P33Very low38.9Very low118 Ų118131.4 Ų131.477%0.76673%0.727SS**  trans-82.4100.9-175.630.9-29.6000110.7
552L33.5Very low40.8Very low163 Ų163125.6 Ų125.685%0.85371%0.707SS**  trans-95.377.6163-90148.8000107.8C550C550-L552 PolarHBondContact O-N 3.32Å
553A34.5Very low42.2Very low93 Ų93129.4 Ų129.477%0.76971%0.709SS**  trans-150.58.917700000114.9
554S39.6Very low44.3Very low84 Ų84127.3 Ų127.359%0.58770%0.697SS**SBendtrans-117.8-18.8-17660.10000115.9
555E42.7Very low46Very low147 Ų147126.4 Ų126.469%0.68768%0.682SS**Hα-helixtrans-79.9-30.1-175.1-71.7-175.9128.500113.6F559E555-F559 PolarHBondContact O-N 3.4Å
556D44.5Very low47.6Very low142 Ų142125.2 Ų125.276%0.75967%0.67SS**Hα-helixtrans-77-31.5179.7-71.6-31.2000112.7F559 T560D556-F559 PolarHBondContact O-N 3.06Å; D556-T560 PolarHBondContact O-N 2.94Å; D556-T560 PolarHBondContact O-OG1 3.39Å
557S45.9Very low49Very low74 Ų74125 Ų12552%0.51766%0.66SS.*Hα-helixtrans-64.2-41.6173.81640000111.4F559 T560 E561S557-F559 VanDerWaalsContact C-N 3.33Å; S557-F559 PolarHBondContact O-N 2.99Å; S557-T560 PolarHBondContact O-N 3.3Å; S557-T560 PolarHBondContact O-OG1 3.32Å; S557-E561 WeakPolarHBondContact O-CB 3.45Å; S557-E561 PolarHBondContact O-N 3.36Å
558E53.7Low50.7Low130 Ų130122.1 Ų122.161%0.60764%0.641SS**Hα-helixtrans-66.2-36.5-179.3-157.7-177.1166.400111.4E561 V562E558-E561 PolarHBondContact O-N 3.21Å; E558-V562 HydrophobicContact CG-CG2 4.48Å; E558-V562 WeakPolarHBondContact O-CB 3.13Å; E558-V562 WeakPolarHBondContact O-CG2 3.47Å; E558-V562 PolarHBondContact O-N 3.43Å
559F53.6Low51.9Low149 Ų149124.8 Ų124.865%0.65464%0.636SS**Hα-helixtrans-70.1-38.2179.5-143.1-90.1000112.8E555 D556 S557 R563E555-F559 PolarHBondContact O-N 3.4Å; D556-F559 PolarHBondContact O-N 3.06Å; S557-F559 VanDerWaalsContact C-N 3.33Å; S557-F559 PolarHBondContact O-N 2.99Å; F559-R563 WeakPolarHBondContact O-CB 3.06Å; F559-R563 PolarHBondContact O-N 3.12Å; F559-R563 VanDerWaalsContact O-N 3.15Å
560T63.6Low53.1Low92 Ų92121.9 Ų121.956%0.56462%0.623SS**Hα-helixtrans-68.7-39.1172.234.80000112.5D556 S557 R563 K564D556-T560 PolarHBondContact O-N 2.94Å; D556-T560 PolarHBondContact O-OG1 3.39Å; S557-T560 PolarHBondContact O-N 3.3Å; S557-T560 PolarHBondContact O-OG1 3.32Å; T560-R563 PolarHBondContact O-N 2.96Å; T560-K564 WeakPolarHBondContact O-CB 3.47Å; T560-K564 PolarHBondContact O-N 3.03Å
561E68.1Low54Low85 Ų85119.2 Ų119.240%0.39762%0.615SS.*Hα-helixtrans-68.4-40.7178.7-165.370.3-165.700111.4S557 E558 K564 R565S557-E561 WeakPolarHBondContact O-CB 3.45Å; S557-E561 PolarHBondContact O-N 3.36Å; E558-E561 PolarHBondContact O-N 3.21Å; E561-K564 PolarHBondContact O-N 3.41Å; E561-R565 WeakPolarHBondContact O-CB 3.45Å; E561-R565 WeakPolarHBondContact O-CG 3.48Å; E561-R565 PolarHBondContact O-N 2.9Å
562V67.5Low54.4Low71 Ų71119 Ų11943%0.4361%0.614SS.*Hα-helixtrans-66.1-37.2175.4170.50000111.4E558 R566E558-V562 HydrophobicContact CG-CG2 4.48Å; E558-V562 WeakPolarHBondContact O-CB 3.13Å; E558-V562 WeakPolarHBondContact O-CG2 3.47Å; E558-V562 PolarHBondContact O-N 3.43Å; V562-R566 PolarHBondContact O-N 2.74Å; V562-R566 VanDerWaalsContact O-N 3.12Å
563R63.1Low54.9Low181 Ų181116 Ų11668%0.68361%0.607SS**Hα-helixtrans-65.6-42.7173.9-169.2177-163146.13111.4F559 T560 R566 L567F559-R563 WeakPolarHBondContact O-CB 3.06Å; F559-R563 PolarHBondContact O-N 3.12Å; F559-R563 VanDerWaalsContact O-N 3.15Å; T560-R563 PolarHBondContact O-N 2.96Å; R563-R566 PolarHBondContact O-N 3.26Å; R563-L567 WeakPolarHBondContact O-CG 3.36Å; R563-L567 PolarHBondContact O-N 3.02Å
564K72.7Confident55.2Low116 Ų116117 Ų11750%0.50461%0.608SS.*Hα-helixtrans-65.2-48.1177.6-167.7-179.9177.3-173.30112T560 E561 R566 L567 E568T560-K564 WeakPolarHBondContact O-CB 3.47Å; T560-K564 PolarHBondContact O-N 3.03Å; E561-K564 PolarHBondContact O-N 3.41Å; K564-R566 VanDerWaalsContact C-N 3.3Å; K564-R566 PolarHBondContact O-N 2.81Å; K564-L567 PolarHBondContact O-N 3.47Å; K564-L567 VanDerWaalsContact O-N 3.09Å; K564-E568 VanDerWaalsContact CE-OE1 3.28Å; K564-E568 WeakPolarHBondContact CE-OE1 3.3Å; K564-E568 WeakPolarHBondContact O-CG 3.4Å; K564-E568 PolarHBondContact O-N 3Å
565R67.1Low55.1Low157 Ų157116.4 Ų116.459%0.59262%0.616SS**Hα-helixtrans-60.8-34.9176.1-74.9-174-170-174.13.9113.3E561 L569E561-R565 WeakPolarHBondContact O-CB 3.45Å; E561-R565 WeakPolarHBondContact O-CG 3.48Å; E561-R565 PolarHBondContact O-N 2.9Å; R565-L569 PolarHBondContact O-N 2.77Å; R565-L569 VanDerWaalsContact O-N 3.12Å
566R64.7Low54.7Low152 Ų152117.9 Ų117.957%0.57462%0.623SS**Hα-helixtrans-63.4-42.4173.7-95.9-173.8-162.9169.48.3112.1V562 R563 K564 F570V562-R566 PolarHBondContact O-N 2.74Å; V562-R566 VanDerWaalsContact O-N 3.12Å; R563-R566 PolarHBondContact O-N 3.26Å; K564-R566 VanDerWaalsContact C-N 3.3Å; K564-R566 PolarHBondContact O-N 2.81Å; R566-F570 WeakPolarHBondContact O-CD2 3.35Å
567L62.6Low54.3Low96 Ų96118.7 Ų118.750%0.50363%0.626SS.*Hα-helixtrans-69.3-37.8-179.8-68.3166.3000111.4R563 K564 F570 G571R563-L567 WeakPolarHBondContact O-CG 3.36Å; R563-L567 PolarHBondContact O-N 3.02Å; K564-L567 PolarHBondContact O-N 3.47Å; K564-L567 VanDerWaalsContact O-N 3.09Å; L567-F570 PolarHBondContact O-N 3.12Å; L567-G571 PolarHBondContact O-N 3.27Å; L567-G571 VanDerWaalsContact O-N 3.11Å
568E66.7Low53.8Low109 Ų109122.3 Ų122.351%0.50965%0.645SS.*Hα-helixtrans-66.8-37.1177.1-70.7171.917900113K564 F570 G571 C572K564-E568 VanDerWaalsContact CE-OE1 3.28Å; K564-E568 WeakPolarHBondContact CE-OE1 3.3Å; K564-E568 WeakPolarHBondContact O-CG 3.4Å; K564-E568 PolarHBondContact O-N 3Å; E568-F570 VanDerWaalsContact C-N 3.28Å; E568-F570 PolarHBondContact O-N 2.92Å; E568-G571 PolarHBondContact O-N 2.96Å; E568-C572 PolarHBondContact O-N 3.03Å
569L56.1Low52.7Low134 Ų134121.3 Ų121.370%0.70265%0.652SS**Hα-helixtrans-65.1-26.5176.3-91.4156.2000113.8R565R565-L569 PolarHBondContact O-N 2.77Å; R565-L569 VanDerWaalsContact O-N 3.12Å
570F54.2Low51.8Low155 Ų155124.3 Ų124.368%0.6867%0.665SS**Hα-helixtrans-93.2-22.8176.4-71.8-69.8000113.4R566 L567 E568R566-F570 WeakPolarHBondContact O-CD2 3.35Å; L567-F570 PolarHBondContact O-N 3.12Å; E568-F570 VanDerWaalsContact C-N 3.28Å; E568-F570 PolarHBondContact O-N 2.92Å
571G46.5Very low50.5Low55 Ų55125.7 Ų125.757%0.56768%0.678SS**Hα-helixtrans-69.9-33.7175.300000114.2L567 E568L567-G571 PolarHBondContact O-N 3.27Å; L567-G571 VanDerWaalsContact O-N 3.11Å; E568-G571 PolarHBondContact O-N 2.96Å
572C42.1Very low49Very low113 Ų113129.5 Ų129.576%0.76470%0.702SS**THydrogen-bonded Turntrans-79.8-13179.7-87.90000114.9E568E568-C572 PolarHBondContact O-N 3.03Å
573S43.5Very low47.7Very low101 Ų101131.7 Ų131.771%0.70672%0.72SS**THydrogen-bonded Turntrans-94.2-0.2-178.2-1650000114.4
574S41.7Very low46.5Very low113 Ų113130.9 Ų130.979%0.7972%0.724SS**SBendtrans-114.611.5-179.5-58.40000114
575G37.5Very low44.9Very low72 Ų72130.3 Ų130.374%0.74273%0.732SS**SBendtrans-108.45.8-175.200000116.5
576E33.8Very low43.5Very low178 Ų178129 Ų12983%0.83274%0.737SS**  trans-127.345.7-166.9-152.2168.7170.700113.2
577I35.8Very low42.4Very low160 Ų160129.3 Ų129.382%0.82175%0.75SS**SBendtrans-146.771.5166.9-49.1176.3000108.7
578T34.6Very low41.5Very low149 Ų149130.3 Ų130.391%0.91476%0.76SS**SBendtrans178.162.4158.823.10000111.3
579S31.5Very low40.5Very low110 Ų110129.9 Ų129.977%0.76977%0.769SS**  trans-157.284.4166.664.70000111.5
580K33.9Very low39.9Very low212 Ų212134.8 Ų134.892%0.92280%0.796SS**  trans175.994.3153.6-103.6164.9-178.4175.50111.1
581S38Very low39.2Very low121 Ų121133.8 Ų133.885%0.84680%0.802SS**  trans-165.988.9140.158.70000108.8
582N36.1Very low38.8Very low165 Ų165137.9 Ų137.988%0.88281%0.814SS**  trans-68.5134.1162.4-76.3-19.4000109.2
583S40.2Very low38.7Very low117 Ų117139.3 Ų139.382%0.81882%0.817SS**  160.6105122.4600000111.2
584E37.6Very low38.4Very low164 Ų164141.6 Ų141.677%0.76682%0.823SS**  trans-54178.9155.4-103178.1111.200113.1
585P39.9Very low38.2Very low104 Ų104143.4 Ų143.468%0.67583%0.825SS**  cis-138.2170.19.622.43.9000117.3
586N37.4Very low38.2Very low130 Ų130148.1 Ų148.170%0.69583%0.831SS**  trans12.2128.8142.9-53.7-37.8000118.6
587D40.3Very low38.5Very low157 Ų157146 Ų14684%0.8483%0.831SS**  177.7149.9100.8-118.3-25.8000114.3
588V44.6Very low38.7Very low117 Ų117144.9 Ų144.971%0.70983%0.832SS**  trans80.498.2149.1-1780000120
589S44.4Very low39.1Very low101 Ų101144.6 Ų144.671%0.70683%0.825SS**  trans25.3118.6134.663.60000120.9
590N45Very low39.8Very low237 Ų237147.7 Ų147.7100%1.26783%0.83SS**  -162.70105.5-134.49.9000110.4

Retrieved 590 of 590 residues in 791.9 ms (Link to these results)

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