G4VNM5_SCHMA Loading...

Reticulon-like protein

AlphaFold DB , UniProt , Accession G4VNM5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 195 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
1M54.2Low65.4Low198 Ų198107.1 Ų107.198%0.97552%0.523SS*.  0-9.90-81.9175.688.300111.9
2D69.9Low66Low116 Ų116106.3 Ų106.362%0.6252%0.517SS*.Hα-helixtrans-72.9-34.4-174.3-45.7-63.6000112.7F4 R5 D6D2-F4 PolarHBondContact O-N 3.45Å; D2-R5 WeakPolarHBondContact O-CB 3.37Å; D2-R5 PolarHBondContact O-N 3.32Å; D2-R5 VanDerWaalsContact O-N 3.09Å; D2-D6 PolarHBondContact O-N 3.19Å
3T69.3Low66.3Low96 Ų96103.5 Ų103.559%0.58951%0.512SS*.Hα-helixtrans-59.1-41.417951.30000114.1D6 I7T3-D6 PolarHBondContact O-N 3.43Å; T3-I7 WeakPolarHBondContact O-CD1 3.33Å; T3-I7 VanDerWaalsContact O-CG1 3.24Å; T3-I7 WeakPolarHBondContact O-CG1 3.27Å; T3-I7 PolarHBondContact O-N 3.18Å
4F68.8Low67.2Low162 Ų162105.8 Ų105.871%0.71153%0.525SS*.Hα-helixtrans-67-38.1176.5-75.2-80000111.9D2 I8D2-F4 PolarHBondContact O-N 3.45Å; F4-I8 PolarHBondContact O-N 2.85Å
5R67.6Low68Low152 Ų152107.1 Ų107.157%0.57453%0.527SS*.Hα-helixtrans-66.1-44.7175.6-168.9-176.7-68.2-92.82.7110D2 I7 I8 Y9D2-R5 WeakPolarHBondContact O-CB 3.37Å; D2-R5 PolarHBondContact O-N 3.32Å; D2-R5 VanDerWaalsContact O-N 3.09Å; R5-I7 VanDerWaalsContact C-N 3.3Å; R5-I7 PolarHBondContact O-N 3.44Å; R5-I8 WeakPolarHBondContact O-CG2 3.34Å; R5-I8 PolarHBondContact O-N 3.44Å; R5-Y9 HydrophobicContact CG-CD2 3.44Å; R5-Y9 VanDerWaalsContact CG-CD2 3.44Å; R5-Y9 HydrophobicContact CG-CE2 3.61Å; R5-Y9 WeakPolarHBondContact O-CB 3.19Å; R5-Y9 VanDerWaalsContact O-CD2 3.26Å; R5-Y9 WeakPolarHBondContact O-CD2 3.49Å; R5-Y9 PolarHBondContact O-N 2.85Å
6D65.5Low68.7Low77 Ų77100.6 Ų100.641%0.41250%0.495SS..Hα-helixtrans-63.9-35.5179.2-71.6-29.6000112.8D2 T3 W10 S11D2-D6 PolarHBondContact O-N 3.19Å; T3-D6 PolarHBondContact O-N 3.43Å; D6-W10 CarbonylContact O-C 3.55Å; D6-W10 WeakPolarHBondContact O-CA 3.32Å; D6-W10 PolarHBondContact O-N 2.9Å; D6-S11 PolarHBondContact O-N 3.04Å
7I63.4Low69.5Low53 Ų5395.8 Ų95.827%0.27248%0.478SS..Hα-helixtrans-67.3-49.7173.9-68.9163.9000110.6T3 R5 Y9 W10 S16T3-I7 WeakPolarHBondContact O-CD1 3.33Å; T3-I7 VanDerWaalsContact O-CG1 3.24Å; T3-I7 WeakPolarHBondContact O-CG1 3.27Å; T3-I7 PolarHBondContact O-N 3.18Å; R5-I7 VanDerWaalsContact C-N 3.3Å; R5-I7 PolarHBondContact O-N 3.44Å; I7-Y9 PolarHBondContact O-N 3.06Å; I7-W10 WeakPolarHBondContact O-CA 3.47Å; I7-W10 VanDerWaalsContact O-CD1 3.29Å; I7-W10 PolarHBondContact O-N 3.07Å; I7-S16 PolarHBondContact O-OG 2.83Å
8I65.7Low70.5Confident70 Ų7096.2 Ų96.236%0.35948%0.481SS..Hα-helixtrans-70.9-32.2-175.6-152.9152.6000112.8F4 R5 W10 P154F4-I8 PolarHBondContact O-N 2.85Å; R5-I8 WeakPolarHBondContact O-CG2 3.34Å; R5-I8 PolarHBondContact O-N 3.44Å; I8-W10 VanDerWaalsContact C-N 3.28Å; I8-P154 HydrophobicContact CG1-CG 3.98Å
9Y64.8Low71.2Confident103 Ų10395.3 Ų95.340%0.40448%0.48SS..THydrogen-bonded Turntrans-84.5-3.2170.9-75.8-91.5000112.6R5 I7 S11 R155 L158R5-Y9 HydrophobicContact CG-CD2 3.44Å; R5-Y9 VanDerWaalsContact CG-CD2 3.44Å; R5-Y9 HydrophobicContact CG-CE2 3.61Å; R5-Y9 WeakPolarHBondContact O-CB 3.19Å; R5-Y9 VanDerWaalsContact O-CD2 3.26Å; R5-Y9 WeakPolarHBondContact O-CD2 3.49Å; R5-Y9 PolarHBondContact O-N 2.85Å; I7-Y9 PolarHBondContact O-N 3.06Å; Y9-S11 PolarHBondContact O-N 2.98Å; Y9-R155 WeakPolarHBondContact O-CD 3.48Å; Y9-R155 VanDerWaalsContact O-CZ 3.24Å; Y9-R155 PolarHBondContact O-NE 2.76Å; Y9-R155 PolarHBondContact O-NH1 3.36Å; Y9-L158 HydrophobicContact CD1-CD1 3.73Å; Y9-L158 HydrophobicContact CE1-CD1 4.04Å
10W61.9Low71.9Confident69 Ų6991.5 Ų91.526%0.26146%0.463SS..THydrogen-bonded Turntrans53.536.1178.7-10271.4000112.6D6 I7 I8 E12 P13 S16 R155D6-W10 CarbonylContact O-C 3.55Å; D6-W10 WeakPolarHBondContact O-CA 3.32Å; D6-W10 PolarHBondContact O-N 2.9Å; I7-W10 WeakPolarHBondContact O-CA 3.47Å; I7-W10 VanDerWaalsContact O-CD1 3.29Å; I7-W10 PolarHBondContact O-N 3.07Å; I8-W10 VanDerWaalsContact C-N 3.28Å; W10-E12 PolarHBondContact O-N 3.07Å; W10-E12 VanDerWaalsContact O-N 3.07Å; W10-P13 VanDerWaalsContact CE3-CA 3.46Å; W10-P13 HydrophobicContact CE3-CB 3.69Å; W10-P13 HydrophobicContact CZ3-CB 3.75Å; W10-P13 VanDerWaalsContact CZ3-O 3.28Å; W10-P13 WeakPolarHBondContact CZ3-O 3.39Å; W10-S16 PolarHBondContact NE1-OG 3.37Å; W10-R155 HydrophobicContact CB-CG 3.87Å; W10-R155 VanDerWaalsContact CB-CZ 3.45Å; W10-R155 HydrophobicContact CG-CG 4.17Å; W10-R155 PolarHBondContact O-NH2 3.02Å
11S68.4Low72.7Confident82 Ų8289.5 Ų89.557%0.57346%0.461SS*.SBendtrans-51.5-37.9-175.9-166.70000111.7D6 Y9D6-S11 PolarHBondContact O-N 3.04Å; Y9-S11 PolarHBondContact O-N 2.98Å
12E73.1Confident74.4Confident97 Ų9784.5 Ų84.545%0.45344%0.441SS..SBendtrans-112.7105.3169-63.1179.2130.200110.4W10 I14 K15 S16W10-E12 PolarHBondContact O-N 3.07Å; W10-E12 VanDerWaalsContact O-N 3.07Å; E12-I14 VanDerWaalsContact C-N 3.3Å; E12-I14 PolarHBondContact O-N 2.58Å; E12-K15 HydrophobicContact CB-CB 4.32Å; E12-K15 HydrophobicContact CB-CG 4.39Å; E12-K15 PolarHBondContact O-N 2.85Å; E12-K15 IonicContact OE1-NZ 2.78Å; E12-K15 PolarHBondContact OE1-NZ 3.14Å; E12-K15 WeakPolarHBondContact OE2-CD 3.3Å; E12-K15 WeakPolarHBondContact OE2-CE 3.31Å; E12-K15 IonicContact OE2-NZ 2.73Å; E12-K15 PolarHBondContact OE2-NZ 3.23Å; E12-S16 PolarHBondContact O-N 2.91Å; E12-S16 VanDerWaalsContact O-N 3.07Å
13P69.4Low75.2Confident70 Ų7079.9 Ų79.946%0.45542%0.421SS..Hα-helixtrans-64.4-33.4-171.223.6-33.5000113.4W10 G17W10-P13 VanDerWaalsContact CE3-CA 3.46Å; W10-P13 HydrophobicContact CE3-CB 3.69Å; W10-P13 HydrophobicContact CZ3-CB 3.75Å; W10-P13 VanDerWaalsContact CZ3-O 3.28Å; W10-P13 WeakPolarHBondContact CZ3-O 3.39Å; P13-G17 WeakPolarHBondContact O-CA 3.29Å; P13-G17 PolarHBondContact O-N 2.74Å
14I78.9Confident76.1Confident136 Ų13677.7 Ų77.770%0.69741%0.405SS*.Hα-helixtrans-70.1-48.4-178.7-58.9172.2000110.5E12 I18E12-I14 VanDerWaalsContact C-N 3.3Å; E12-I14 PolarHBondContact O-N 2.58Å; I14-I18 HydrophobicContact CG2-CD1 4.23Å; I14-I18 VanDerWaalsContact O-CG1 3.32Å; I14-I18 WeakPolarHBondContact O-CG1 3.31Å; I14-I18 PolarHBondContact O-N 3Å; I14-I18 VanDerWaalsContact O-N 3.16Å
15K79Confident77.1Confident125 Ų12574.4 Ų74.454%0.54340%0.399SS..Hα-helixtrans-70.3-44.7-177-58-163.8-156.6144.50111.6E12 G17 I18 V19E12-K15 HydrophobicContact CB-CB 4.32Å; E12-K15 HydrophobicContact CB-CG 4.39Å; E12-K15 PolarHBondContact O-N 2.85Å; E12-K15 IonicContact OE1-NZ 2.78Å; E12-K15 PolarHBondContact OE1-NZ 3.14Å; E12-K15 WeakPolarHBondContact OE2-CD 3.3Å; E12-K15 WeakPolarHBondContact OE2-CE 3.31Å; E12-K15 IonicContact OE2-NZ 2.73Å; E12-K15 PolarHBondContact OE2-NZ 3.23Å; K15-G17 VanDerWaalsContact C-N 3.34Å; K15-G17 PolarHBondContact O-N 2.78Å; K15-I18 PolarHBondContact O-N 3.27Å; K15-V19 WeakPolarHBondContact O-CG2 3.28Å; K15-V19 PolarHBondContact O-N 2.63Å
16S79.8Confident78Confident3 Ų373.4 Ų73.42%0.02140%0.399CS..Hα-helixtrans-66.1-37.3177.2-171.10000112I7 W10 E12 I18 V19 S20I7-S16 PolarHBondContact O-OG 2.83Å; W10-S16 PolarHBondContact NE1-OG 3.37Å; E12-S16 PolarHBondContact O-N 2.91Å; E12-S16 VanDerWaalsContact O-N 3.07Å; S16-I18 PolarHBondContact O-N 3.12Å; S16-V19 PolarHBondContact O-N 2.83Å; S16-S20 WeakPolarHBondContact O-CB 3.38Å; S16-S20 PolarHBondContact O-N 3.5Å
17G82.5Confident79Confident20 Ų2071.3 Ų71.321%0.20639%0.387CS..Hα-helixtrans-59.5-43.3174.900000113.4P13 K15 S20 A21P13-G17 WeakPolarHBondContact O-CA 3.29Å; P13-G17 PolarHBondContact O-N 2.74Å; K15-G17 VanDerWaalsContact C-N 3.34Å; K15-G17 PolarHBondContact O-N 2.78Å; G17-S20 PolarHBondContact O-N 3.06Å; G17-A21 WeakPolarHBondContact O-CB 3.46Å; G17-A21 PolarHBondContact O-N 2.95Å
18I86.3Confident80.1Confident103 Ų10373.4 Ų73.453%0.52840%0.398SS..Hα-helixtrans-63.8-47.1176.7-65.9163.5000110.8I14 K15 S16 S20 A21 V22I14-I18 HydrophobicContact CG2-CD1 4.23Å; I14-I18 VanDerWaalsContact O-CG1 3.32Å; I14-I18 WeakPolarHBondContact O-CG1 3.31Å; I14-I18 PolarHBondContact O-N 3Å; I14-I18 VanDerWaalsContact O-N 3.16Å; K15-I18 PolarHBondContact O-N 3.27Å; S16-I18 PolarHBondContact O-N 3.12Å; I18-S20 VanDerWaalsContact C-N 3.32Å; I18-S20 PolarHBondContact O-N 3.48Å; I18-A21 PolarHBondContact O-N 3.33Å; I18-V22 HydrophobicContact CG2-CG2 4.35Å; I18-V22 VanDerWaalsContact O-CG2 3.32Å; I18-V22 WeakPolarHBondContact O-CG2 3.48Å; I18-V22 PolarHBondContact O-N 2.96Å
19V84.9Confident81.2Confident78 Ų7872.7 Ų72.747%0.47340%0.4SS..Hα-helixtrans-62.1-41.9179.1176.70000111K15 S16 G23K15-V19 WeakPolarHBondContact O-CG2 3.28Å; K15-V19 PolarHBondContact O-N 2.63Å; S16-V19 PolarHBondContact O-N 2.83Å; V19-G23 PolarHBondContact O-N 3.33Å
20S84.9Confident82.1Confident19 Ų1971.2 Ų71.213%0.13340%0.398CS..Hα-helixtrans-61.2-47.3174.3-178.90000111.8S16 G17 I18 V22 G23 L24 L151S16-S20 WeakPolarHBondContact O-CB 3.38Å; S16-S20 PolarHBondContact O-N 3.5Å; G17-S20 PolarHBondContact O-N 3.06Å; I18-S20 VanDerWaalsContact C-N 3.32Å; I18-S20 PolarHBondContact O-N 3.48Å; S20-V22 PolarHBondContact O-N 2.98Å; S20-G23 PolarHBondContact O-N 2.89Å; S20-L24 WeakPolarHBondContact O-CB 3.28Å; S20-L24 VanDerWaalsContact O-CG 3.28Å; S20-L24 WeakPolarHBondContact O-CG 3.42Å; S20-L24 PolarHBondContact O-N 3.19Å; S20-L151 WeakPolarHBondContact OG-CD1 3.42Å
21A88Confident83.1Confident50 Ų5068.4 Ų68.441%0.41339%0.389SS..Hα-helixtrans-64.2-42.1-179.800000112.6G17 I18 L24 T25G17-A21 WeakPolarHBondContact O-CB 3.46Å; G17-A21 PolarHBondContact O-N 2.95Å; I18-A21 PolarHBondContact O-N 3.33Å; A21-L24 PolarHBondContact O-N 3.23Å; A21-T25 VanDerWaalsContact O-CB 3.32Å; A21-T25 WeakPolarHBondContact O-CB 3.27Å; A21-T25 PolarHBondContact O-N 2.98Å; A21-T25 PolarHBondContact O-OG1 2.91Å
22V90.2Very high83.8Confident94 Ų9468.1 Ų68.157%0.5739%0.387SS*.Hα-helixtrans-64.3-45.6175.1173.80000110.4I18 S20 T25 F26I18-V22 HydrophobicContact CG2-CG2 4.35Å; I18-V22 VanDerWaalsContact O-CG2 3.32Å; I18-V22 WeakPolarHBondContact O-CG2 3.48Å; I18-V22 PolarHBondContact O-N 2.96Å; S20-V22 PolarHBondContact O-N 2.98Å; V22-T25 PolarHBondContact O-N 3.45Å; V22-F26 WeakPolarHBondContact O-CB 3.17Å; V22-F26 PolarHBondContact O-N 3.37Å
23G86.9Confident84.2Confident18 Ų1869.4 Ų69.419%0.18639%0.394CS..Hα-helixtrans-60.4-45.5176.400000112.7V19 S20 F26 L27V19-G23 PolarHBondContact O-N 3.33Å; S20-G23 PolarHBondContact O-N 2.89Å; G23-F26 PolarHBondContact O-N 2.71Å; G23-L27 WeakPolarHBondContact O-CB 3.19Å; G23-L27 VanDerWaalsContact O-CG 3.31Å; G23-L27 WeakPolarHBondContact O-CG 3.37Å; G23-L27 PolarHBondContact O-N 2.85Å
24L88.1Confident85Confident50 Ų5068.3 Ų68.326%0.26239%0.388SS..Hα-helixtrans-64.4-43.6176.3-75172.5000112.2S20 A21 F26 L27 L28 I144 F147 V148S20-L24 WeakPolarHBondContact O-CB 3.28Å; S20-L24 VanDerWaalsContact O-CG 3.28Å; S20-L24 WeakPolarHBondContact O-CG 3.42Å; S20-L24 PolarHBondContact O-N 3.19Å; A21-L24 PolarHBondContact O-N 3.23Å; L24-F26 VanDerWaalsContact C-N 3.3Å; L24-F26 PolarHBondContact O-N 3.18Å; L24-L27 PolarHBondContact O-N 3.49Å; L24-L28 WeakPolarHBondContact O-CB 3.42Å; L24-L28 PolarHBondContact O-N 3.48Å; L24-I144 HydrophobicContact CD2-CG2 4.41Å; L24-F147 HydrophobicContact CD2-CD1 3.66Å; L24-F147 HydrophobicContact CD2-CE1 4.08Å; L24-F147 HydrophobicContact CG-CD1 4.18Å; L24-F147 HydrophobicContact CG-CE1 4.08Å; L24-V148 HydrophobicContact CD1-CG2 4.41Å; L24-V148 HydrophobicContact CD2-CG2 3.44Å; L24-V148 VanDerWaalsContact CD2-CG2 3.44Å
25T88.9Confident84.9Confident94 Ų9468 Ų6858%0.57738%0.382SS*.Hα-helixtrans-62.9-41177.7-56.90000110.8A21 V22 L28 S29A21-T25 VanDerWaalsContact O-CB 3.32Å; A21-T25 WeakPolarHBondContact O-CB 3.27Å; A21-T25 PolarHBondContact O-N 2.98Å; A21-T25 PolarHBondContact O-OG1 2.91Å; V22-T25 PolarHBondContact O-N 3.45Å; T25-L28 PolarHBondContact O-N 3.45Å; T25-S29 VanDerWaalsContact O-CB 3.29Å; T25-S29 WeakPolarHBondContact O-CB 3.46Å; T25-S29 PolarHBondContact O-N 2.8Å
26F88Confident85Confident131 Ų13167.5 Ų67.558%0.57538%0.384SS*.Hα-helixtrans-65.5-48.6176.6-178.4-106.5000112.1V22 G23 L24 L28 S29 L30V22-F26 WeakPolarHBondContact O-CB 3.17Å; V22-F26 PolarHBondContact O-N 3.37Å; G23-F26 PolarHBondContact O-N 2.71Å; L24-F26 VanDerWaalsContact C-N 3.3Å; L24-F26 PolarHBondContact O-N 3.18Å; F26-L28 VanDerWaalsContact C-N 3.32Å; F26-L28 PolarHBondContact O-N 2.8Å; F26-S29 PolarHBondContact O-N 3.39Å; F26-L30 HydrophobicContact CD1-CD1 3.9Å; F26-L30 HydrophobicContact CE1-CD1 3.37Å; F26-L30 HydrophobicContact CE1-CG 4.18Å; F26-L30 HydrophobicContact CE2-CD1 4.44Å; F26-L30 HydrophobicContact CE2-CG 4.46Å; F26-L30 HydrophobicContact CZ-CD1 3.69Å; F26-L30 HydrophobicContact CZ-CD2 4.44Å; F26-L30 HydrophobicContact CZ-CG 4.15Å; F26-L30 WeakPolarHBondContact O-CG 3.29Å; F26-L30 PolarHBondContact O-N 2.8Å
27L86.8Confident85.1Confident32 Ų3269.3 Ų69.317%0.16840%0.397CS..Hα-helixtrans-62.3-39.2176.1-71.8175.7000112.1G23 L24 L30 S31 I143 I144 F147G23-L27 WeakPolarHBondContact O-CB 3.19Å; G23-L27 VanDerWaalsContact O-CG 3.31Å; G23-L27 WeakPolarHBondContact O-CG 3.37Å; G23-L27 PolarHBondContact O-N 2.85Å; L24-L27 PolarHBondContact O-N 3.49Å; L27-L30 PolarHBondContact O-N 2.8Å; L27-S31 VanDerWaalsContact O-CB 3.29Å; L27-S31 WeakPolarHBondContact O-CB 3.17Å; L27-S31 PolarHBondContact O-N 3.38Å; L27-I143 HydrophobicContact CD2-CG2 4.48Å; L27-I144 HydrophobicContact CB-CG1 4.17Å; L27-F147 HydrophobicContact CD1-CB 3.81Å; L27-F147 HydrophobicContact CD1-CD1 3.65Å; L27-F147 HydrophobicContact CD1-CD2 3.81Å; L27-F147 HydrophobicContact CD1-CE1 4.1Å; L27-F147 HydrophobicContact CD1-CE2 4.26Å; L27-F147 HydrophobicContact CD1-CG 3.47Å; L27-F147 VanDerWaalsContact CD1-CG 3.47Å; L27-F147 HydrophobicContact CD1-CZ 4.39Å
28L85.9Confident84.9Confident97 Ų9772.5 Ų72.551%0.50841%0.412SS..Hα-helixtrans-65.8-42.6175.9-175.365000111.2L24 T25 F26 S31 C32 I144L24-L28 WeakPolarHBondContact O-CB 3.42Å; L24-L28 PolarHBondContact O-N 3.48Å; T25-L28 PolarHBondContact O-N 3.45Å; F26-L28 VanDerWaalsContact C-N 3.32Å; F26-L28 PolarHBondContact O-N 2.8Å; L28-S31 WeakPolarHBondContact O-CB 3.44Å; L28-S31 PolarHBondContact O-N 3.41Å; L28-C32 PolarHBondContact O-N 3.34Å; L28-C32 PolarHBondContact O-SG 3.32Å; L28-C32 VanDerWaalsContact O-SG 3.37Å; L28-I144 HydrophobicContact CD1-CD1 4.26Å
29S89.2Confident84.4Confident55 Ų5571.1 Ų71.139%0.38541%0.408SS..Hα-helixtrans-62.2-46.7175.2-174.30000111.5T25 F26 S31 C32 M33T25-S29 VanDerWaalsContact O-CB 3.29Å; T25-S29 WeakPolarHBondContact O-CB 3.46Å; T25-S29 PolarHBondContact O-N 2.8Å; F26-S29 PolarHBondContact O-N 3.39Å; S29-S31 VanDerWaalsContact C-N 3.27Å; S29-S31 PolarHBondContact O-N 3.46Å; S29-C32 PolarHBondContact O-N 3.16Å; S29-M33 WeakPolarHBondContact O-CB 3.26Å; S29-M33 WeakPolarHBondContact O-CG 3.47Å; S29-M33 PolarHBondContact O-N 2.75Å
30L83.5Confident84.1Confident73 Ų7369.9 Ų69.938%0.38241%0.406SS..Hα-helixtrans-59.9-39.1172.7-73179.4000111.8F26 L27 M33 S34F26-L30 HydrophobicContact CD1-CD1 3.9Å; F26-L30 HydrophobicContact CE1-CD1 3.37Å; F26-L30 HydrophobicContact CE1-CG 4.18Å; F26-L30 HydrophobicContact CE2-CD1 4.44Å; F26-L30 HydrophobicContact CE2-CG 4.46Å; F26-L30 HydrophobicContact CZ-CD1 3.69Å; F26-L30 HydrophobicContact CZ-CD2 4.44Å; F26-L30 HydrophobicContact CZ-CG 4.15Å; F26-L30 WeakPolarHBondContact O-CG 3.29Å; F26-L30 PolarHBondContact O-N 2.8Å; L27-L30 PolarHBondContact O-N 2.8Å; L30-M33 PolarHBondContact O-N 3.12Å; L30-S34 VanDerWaalsContact O-CB 3.31Å; L30-S34 WeakPolarHBondContact O-CB 3.37Å; L30-S34 PolarHBondContact O-N 3.48Å
31S83.4Confident83.9Confident10 Ų1076.7 Ų76.77%0.0743%0.43CS..Hα-helixtrans-61.6-47.8175-1720000111.7L27 L28 S29 F35 L140L27-S31 VanDerWaalsContact O-CB 3.29Å; L27-S31 WeakPolarHBondContact O-CB 3.17Å; L27-S31 PolarHBondContact O-N 3.38Å; L28-S31 WeakPolarHBondContact O-CB 3.44Å; L28-S31 PolarHBondContact O-N 3.41Å; S29-S31 VanDerWaalsContact C-N 3.27Å; S29-S31 PolarHBondContact O-N 3.46Å; S31-F35 WeakPolarHBondContact O-CB 3.26Å; S31-F35 PolarHBondContact O-N 3.47Å; S31-L140 VanDerWaalsContact OG-CB 3.3Å; S31-L140 WeakPolarHBondContact OG-CB 3.37Å
32C81.2Confident83.4Confident76 Ų7676.8 Ų76.851%0.51443%0.431SS..Hα-helixtrans-63.7-44.6176.8-70.70000111.8L28 S29 F35 I36L28-C32 PolarHBondContact O-N 3.34Å; L28-C32 PolarHBondContact O-SG 3.32Å; L28-C32 VanDerWaalsContact O-SG 3.37Å; S29-C32 PolarHBondContact O-N 3.16Å; C32-F35 PolarHBondContact O-N 2.78Å; C32-I36 WeakPolarHBondContact O-CG2 3.15Å; C32-I36 PolarHBondContact O-N 3.39Å
33M83.5Confident82.6Confident123 Ų12374 Ų7461%0.60642%0.422SS*.Hα-helixtrans-64.1-42.1177.9-76.8-164.2-170.900112.8S29 L30 I36 S37S29-M33 WeakPolarHBondContact O-CB 3.26Å; S29-M33 WeakPolarHBondContact O-CG 3.47Å; S29-M33 PolarHBondContact O-N 2.75Å; L30-M33 PolarHBondContact O-N 3.12Å; M33-I36 WeakPolarHBondContact O-CG2 3.2Å; M33-S37 WeakPolarHBondContact O-CB 3.35Å; M33-S37 PolarHBondContact O-N 3.47Å; M33-S37 PolarHBondContact O-OG 2.91Å
34S84.9Confident82.1Confident48 Ų4878 Ų7834%0.33644%0.438SS..Hα-helixtrans-71.8-35176.9-173.40000111.6L30 S37 V38L30-S34 VanDerWaalsContact O-CB 3.31Å; L30-S34 WeakPolarHBondContact O-CB 3.37Å; L30-S34 PolarHBondContact O-N 3.48Å; S34-S37 WeakPolarHBondContact CA-OG 3.13Å; S34-S37 PolarHBondContact O-N 2.76Å; S34-S37 PolarHBondContact O-OG 3.33Å; S34-V38 WeakPolarHBondContact O-CB 3.24Å; S34-V38 WeakPolarHBondContact O-CG2 3.03Å; S34-V38 PolarHBondContact O-N 2.81Å
35F77.4Confident81.8Confident130 Ų13078.5 Ų78.557%0.5745%0.449SS*.Hα-helixtrans-66-47.4176.9-178-102.6000111.1S31 C32 S37 V38 V39S31-F35 WeakPolarHBondContact O-CB 3.26Å; S31-F35 PolarHBondContact O-N 3.47Å; C32-F35 PolarHBondContact O-N 2.78Å; F35-S37 VanDerWaalsContact C-N 3.29Å; F35-S37 PolarHBondContact O-N 3.5Å; F35-V38 PolarHBondContact O-N 2.83Å; F35-V39 HydrophobicContact CD1-CG2 4.4Å; F35-V39 HydrophobicContact CE1-CG2 4.04Å; F35-V39 HydrophobicContact CE2-CG2 4.41Å; F35-V39 HydrophobicContact CZ-CG2 4.04Å; F35-V39 WeakPolarHBondContact O-CG2 3.38Å; F35-V39 PolarHBondContact O-N 3.48Å
36I81.8Confident81.2Confident113 Ų11379.7 Ų79.758%0.57945%0.451SS*.Hα-helixtrans-62.5-38176.9-167.471.7000111.4C32 M33 V39 A40C32-I36 WeakPolarHBondContact O-CG2 3.15Å; C32-I36 PolarHBondContact O-N 3.39Å; M33-I36 WeakPolarHBondContact O-CG2 3.2Å; I36-V39 PolarHBondContact O-N 2.94Å; I36-A40 VanDerWaalsContact O-CB 3.28Å; I36-A40 WeakPolarHBondContact O-CB 3.36Å; I36-A40 PolarHBondContact O-N 2.79Å
37S81.6Confident80.6Confident42 Ų4280.7 Ų80.729%0.29446%0.456SS..Hα-helixtrans-68.8-40.7177.269.90000111.9M33 S34 F35 V39 A40 Y41M33-S37 WeakPolarHBondContact O-CB 3.35Å; M33-S37 PolarHBondContact O-N 3.47Å; M33-S37 PolarHBondContact O-OG 2.91Å; S34-S37 WeakPolarHBondContact CA-OG 3.13Å; S34-S37 PolarHBondContact O-N 2.76Å; S34-S37 PolarHBondContact O-OG 3.33Å; F35-S37 VanDerWaalsContact C-N 3.29Å; F35-S37 PolarHBondContact O-N 3.5Å; S37-V39 VanDerWaalsContact C-N 3.34Å; S37-V39 PolarHBondContact O-N 3.47Å; S37-A40 CarbonylContact O-C 3.34Å; S37-A40 PolarHBondContact O-N 3.38Å; S37-Y41 WeakPolarHBondContact O-CB 3.37Å; S37-Y41 WeakPolarHBondContact O-CD2 3.09Å; S37-Y41 PolarHBondContact O-N 2.78Å
38V78.6Confident80.1Confident87 Ų8783 Ų8353%0.52747%0.474SS..Hα-helixtrans-59.9-45.4173.91690000110.8S34 F35 A40 Y41 A42S34-V38 WeakPolarHBondContact O-CB 3.24Å; S34-V38 WeakPolarHBondContact O-CG2 3.03Å; S34-V38 PolarHBondContact O-N 2.81Å; F35-V38 PolarHBondContact O-N 2.83Å; V38-A40 VanDerWaalsContact C-N 3.35Å; V38-Y41 PolarHBondContact O-N 3.41Å; V38-A42 VanDerWaalsContact O-CB 3.25Å; V38-A42 WeakPolarHBondContact O-CB 3.42Å; V38-A42 PolarHBondContact O-N 3.48Å
39V74.6Confident79.8Confident74 Ų7480.9 Ų80.945%0.44847%0.467SS..Hα-helixtrans-62.4-42.8175.41730000111F35 I36 S37 A42 G43F35-V39 HydrophobicContact CD1-CG2 4.4Å; F35-V39 HydrophobicContact CE1-CG2 4.04Å; F35-V39 HydrophobicContact CE2-CG2 4.41Å; F35-V39 HydrophobicContact CZ-CG2 4.04Å; F35-V39 WeakPolarHBondContact O-CG2 3.38Å; F35-V39 PolarHBondContact O-N 3.48Å; I36-V39 PolarHBondContact O-N 2.94Å; S37-V39 VanDerWaalsContact C-N 3.34Å; S37-V39 PolarHBondContact O-N 3.47Å; V39-A42 PolarHBondContact O-N 2.75Å; V39-G43 PolarHBondContact O-N 3.28Å
40A79.2Confident79.2Confident51 Ų5182.1 Ų82.142%0.42147%0.472SS..Hα-helixtrans-64.6-45.6177.600000112.1I36 S37 V38 G43 L44I36-A40 VanDerWaalsContact O-CB 3.28Å; I36-A40 WeakPolarHBondContact O-CB 3.36Å; I36-A40 PolarHBondContact O-N 2.79Å; S37-A40 CarbonylContact O-C 3.34Å; S37-A40 PolarHBondContact O-N 3.38Å; V38-A40 VanDerWaalsContact C-N 3.35Å; A40-G43 PolarHBondContact O-N 2.81Å; A40-L44 WeakPolarHBondContact O-CB 3.26Å; A40-L44 VanDerWaalsContact O-CG 3.3Å; A40-L44 WeakPolarHBondContact O-CG 3.41Å; A40-L44 PolarHBondContact O-N 2.79Å
41Y79.8Confident78.4Confident162 Ų16280.3 Ų80.364%0.63547%0.467SS*.Hα-helixtrans-66.8-37.6176.9-75.4-60.2000112.1S37 V38 L44 A45S37-Y41 WeakPolarHBondContact O-CB 3.37Å; S37-Y41 WeakPolarHBondContact O-CD2 3.09Å; S37-Y41 PolarHBondContact O-N 2.78Å; V38-Y41 PolarHBondContact O-N 3.41Å; Y41-L44 HydrophobicContact CD1-CD1 4.41Å; Y41-L44 PolarHBondContact O-N 2.89Å; Y41-A45 WeakPolarHBondContact O-CB 3.38Å; Y41-A45 PolarHBondContact O-N 3.37Å
42A77.1Confident78.1Confident52 Ų5282.2 Ų82.243%0.4348%0.484SS..Hα-helixtrans-63.6-44.8172.100000111.1V38 V39 A45 L46V38-A42 VanDerWaalsContact O-CB 3.25Å; V38-A42 WeakPolarHBondContact O-CB 3.42Å; V38-A42 PolarHBondContact O-N 3.48Å; V39-A42 PolarHBondContact O-N 2.75Å; A42-A45 PolarHBondContact O-N 2.82Å; A42-L46 WeakPolarHBondContact O-CG 3.44Å; A42-L46 PolarHBondContact O-N 2.75Å
43G74.7Confident77.5Confident37 Ų3781 Ų8138%0.38148%0.475SS..Hα-helixtrans-61.8-44.2174.500000112.8V39 A40 L46 F47V39-G43 PolarHBondContact O-N 3.28Å; A40-G43 PolarHBondContact O-N 2.81Å; G43-L46 PolarHBondContact O-N 3.46Å; G43-F47 WeakPolarHBondContact O-CB 3.25Å; G43-F47 PolarHBondContact O-N 2.59Å
44L76.6Confident76.9Confident102 Ų10282 Ų8253%0.53448%0.476SS..Hα-helixtrans-64.2-39.3173.9-76.9172.9000111.7A40 Y41 F47 C48A40-L44 WeakPolarHBondContact O-CB 3.26Å; A40-L44 VanDerWaalsContact O-CG 3.3Å; A40-L44 WeakPolarHBondContact O-CG 3.41Å; A40-L44 PolarHBondContact O-N 2.79Å; Y41-L44 HydrophobicContact CD1-CD1 4.41Å; Y41-L44 PolarHBondContact O-N 2.89Å; L44-F47 PolarHBondContact O-N 2.69Å; L44-C48 WeakPolarHBondContact O-CB 3.2Å; L44-C48 PolarHBondContact O-N 3.14Å
45A80.4Confident76.2Confident59 Ų5985.2 Ų85.249%0.48849%0.489SS..Hα-helixtrans-64.8-41.2175.300000111Y41 A42 C49Y41-A45 WeakPolarHBondContact O-CB 3.38Å; Y41-A45 PolarHBondContact O-N 3.37Å; A42-A45 PolarHBondContact O-N 2.82Å; A45-C49 WeakPolarHBondContact O-CB 3.08Å; A45-C49 PolarHBondContact O-N 3.28Å
46L78.1Confident76.1Confident120 Ų12084.4 Ų84.463%0.62848%0.483SS*.Hα-helixtrans-65.7-42.9173.6-71.9175000112.1A42 G43 C49 T50A42-L46 WeakPolarHBondContact O-CG 3.44Å; A42-L46 PolarHBondContact O-N 2.75Å; G43-L46 PolarHBondContact O-N 3.46Å; L46-C49 PolarHBondContact O-N 2.8Å; L46-T50 VanDerWaalsContact O-CB 3.31Å; L46-T50 WeakPolarHBondContact O-CB 3.34Å; L46-T50 PolarHBondContact O-N 3.41Å; L46-T50 PolarHBondContact O-OG1 3.46Å
47F73.6Confident75.2Confident151 Ų15182 Ų8266%0.66247%0.472SS*.Hα-helixtrans-63.7-47.1176.2-178-98.1000111.1G43 L44 T50 A51G43-F47 WeakPolarHBondContact O-CB 3.25Å; G43-F47 PolarHBondContact O-N 2.59Å; L44-F47 PolarHBondContact O-N 2.69Å; F47-T50 PolarHBondContact O-N 3.47Å; F47-A51 VanDerWaalsContact O-CB 3.26Å; F47-A51 WeakPolarHBondContact O-CB 3.42Å; F47-A51 PolarHBondContact O-N 2.84Å
48C76.8Confident74.3Confident81 Ų8184.4 Ų84.455%0.54748%0.484SS..Hα-helixtrans-62.1-44.4176.1-174.20000111.2L44 A51 A52L44-C48 WeakPolarHBondContact O-CB 3.2Å; L44-C48 PolarHBondContact O-N 3.14Å; C48-A51 PolarHBondContact O-N 2.77Å; C48-A52 WeakPolarHBondContact O-CB 3.3Å; C48-A52 PolarHBondContact O-N 3.18Å
49C78.9Confident73.8Confident53 Ų5385 Ų8536%0.35849%0.488SS..Hα-helixtrans-60.5-46.8174.2-175.10000111.1A45 L46 A51 A52 C53A45-C49 WeakPolarHBondContact O-CB 3.08Å; A45-C49 PolarHBondContact O-N 3.28Å; L46-C49 PolarHBondContact O-N 2.8Å; C49-A51 PolarHBondContact O-N 3.32Å; C49-A52 PolarHBondContact O-N 3.39Å; C49-C53 VanDerWaalsContact O-CB 3.27Å; C49-C53 WeakPolarHBondContact O-CB 3.2Å; C49-C53 PolarHBondContact O-N 2.84Å; C49-C53 PolarHBondContact O-SG 3.25Å
50T77Confident73.3Confident81 Ų8185 Ų8550%0.49749%0.485SS..Hα-helixtrans-62.8-44.1177.7-55.80000111.5L46 F47 C53 K54L46-T50 VanDerWaalsContact O-CB 3.31Å; L46-T50 WeakPolarHBondContact O-CB 3.34Å; L46-T50 PolarHBondContact O-N 3.41Å; L46-T50 PolarHBondContact O-OG1 3.46Å; F47-T50 PolarHBondContact O-N 3.47Å; T50-C53 PolarHBondContact O-N 2.77Å; T50-K54 WeakPolarHBondContact O-CB 3.37Å; T50-K54 VanDerWaalsContact O-CG 3.28Å; T50-K54 WeakPolarHBondContact O-CG 2.92Å; T50-K54 PolarHBondContact O-N 2.81Å
51A66.8Low72Confident35 Ų3584.6 Ų84.629%0.28949%0.485SS..Hα-helixtrans-64.5-47177.500000111.3F47 C48 C49 C53 K54 L55F47-A51 VanDerWaalsContact O-CB 3.26Å; F47-A51 WeakPolarHBondContact O-CB 3.42Å; F47-A51 PolarHBondContact O-N 2.84Å; C48-A51 PolarHBondContact O-N 2.77Å; C49-A51 PolarHBondContact O-N 3.32Å; A51-C53 VanDerWaalsContact C-N 3.35Å; A51-C53 PolarHBondContact O-N 3.17Å; A51-K54 PolarHBondContact O-N 2.77Å; A51-L55 WeakPolarHBondContact O-CB 3.25Å; A51-L55 WeakPolarHBondContact O-CG 3.2Å; A51-L55 PolarHBondContact O-N 2.88Å
52A76.7Confident70.5Confident50 Ų5080.4 Ų80.441%0.41348%0.479SS..Hα-helixtrans-60.9-42.8174.900000111.4C48 C49 K54 L55 Y56C48-A52 WeakPolarHBondContact O-CB 3.3Å; C48-A52 PolarHBondContact O-N 3.18Å; C49-A52 PolarHBondContact O-N 3.39Å; A52-K54 PolarHBondContact O-N 2.98Å; A52-L55 PolarHBondContact O-N 3.14Å; A52-Y56 WeakPolarHBondContact O-CB 3.16Å; A52-Y56 PolarHBondContact O-N 2.85Å
53C69.9Low69.2Low49 Ų4982.4 Ų82.433%0.33149%0.49SS..Hα-helixtrans-62.6-40.9173.8-72.60000112C49 T50 A51 N57C49-C53 VanDerWaalsContact O-CB 3.27Å; C49-C53 WeakPolarHBondContact O-CB 3.2Å; C49-C53 PolarHBondContact O-N 2.84Å; C49-C53 PolarHBondContact O-SG 3.25Å; T50-C53 PolarHBondContact O-N 2.77Å; A51-C53 VanDerWaalsContact C-N 3.35Å; A51-C53 PolarHBondContact O-N 3.17Å; C53-N57 WeakPolarHBondContact O-CB 3.41Å; C53-N57 VanDerWaalsContact O-CG 3.3Å; C53-N57 PolarHBondContact O-N 3.45Å; C53-N57 PolarHBondContact O-ND2 2.75Å
54K70Confident67.6Low144 Ų14488.5 Ų88.563%0.62651%0.506SS*.Hα-helixtrans-66.6-47.7176.4-76.2-73.1-170.1178.40111.3T50 A51 A52 N57 V58T50-K54 WeakPolarHBondContact O-CB 3.37Å; T50-K54 VanDerWaalsContact O-CG 3.28Å; T50-K54 WeakPolarHBondContact O-CG 2.92Å; T50-K54 PolarHBondContact O-N 2.81Å; A51-K54 PolarHBondContact O-N 2.77Å; A52-K54 PolarHBondContact O-N 2.98Å; K54-N57 PolarHBondContact O-N 3.37Å; K54-V58 WeakPolarHBondContact O-CG2 3.35Å; K54-V58 PolarHBondContact O-N 3.47Å
55L71.4Confident65.9Low117 Ų11794.2 Ų94.261%0.61352%0.52SS*.Hα-helixtrans-57.5-49.1174.9-82.4156.8000110.9A51 A52 N57 V58 V59A51-L55 WeakPolarHBondContact O-CB 3.25Å; A51-L55 WeakPolarHBondContact O-CG 3.2Å; A51-L55 PolarHBondContact O-N 2.88Å; A52-L55 PolarHBondContact O-N 3.14Å; L55-N57 VanDerWaalsContact C-N 3.33Å; L55-N57 PolarHBondContact O-N 3.2Å; L55-V58 PolarHBondContact O-N 3.31Å; L55-V58 VanDerWaalsContact O-N 3.14Å; L55-V59 VanDerWaalsContact O-CG2 3.28Å; L55-V59 WeakPolarHBondContact O-CG2 3.31Å; L55-V59 PolarHBondContact O-N 3.29Å
56Y73.7Confident63.9Low112 Ų11299 Ų9944%0.43953%0.533SS..Hα-helixtrans-59.5-42.8176.6-178.6-95.8000112.2A52 V59 I60A52-Y56 WeakPolarHBondContact O-CB 3.16Å; A52-Y56 PolarHBondContact O-N 2.85Å; Y56-V59 PolarHBondContact O-N 2.86Å; Y56-I60 HydrophobicContact CE1-CD1 4.17Å; Y56-I60 HydrophobicContact CE1-CG2 4.42Å; Y56-I60 WeakPolarHBondContact O-CB 3.33Å; Y56-I60 WeakPolarHBondContact O-CG2 3.47Å; Y56-I60 PolarHBondContact O-N 2.78Å
57N63.7Low61.9Low64 Ų6499.5 Ų99.534%0.34254%0.541SS..Hα-helixtrans-65.7-36.4175.2-80.1-53.1000113.1C53 K54 L55 G61 R109C53-N57 WeakPolarHBondContact O-CB 3.41Å; C53-N57 VanDerWaalsContact O-CG 3.3Å; C53-N57 PolarHBondContact O-N 3.45Å; C53-N57 PolarHBondContact O-ND2 2.75Å; K54-N57 PolarHBondContact O-N 3.37Å; L55-N57 VanDerWaalsContact C-N 3.33Å; L55-N57 PolarHBondContact O-N 3.2Å; N57-G61 WeakPolarHBondContact O-CA 3.2Å; N57-G61 PolarHBondContact O-N 3Å; N57-R109 PolarHBondContact OD1-NH1 2.84Å; N57-R109 PolarHBondContact OD1-NH2 2.84Å
58V62.8Low60.2Low91 Ų9198.5 Ų98.555%0.55255%0.55SS*.Hα-helixtrans-66.2-46.9173.8169.10000109.7K54 L55 G61 S62K54-V58 WeakPolarHBondContact O-CG2 3.35Å; K54-V58 PolarHBondContact O-N 3.47Å; L55-V58 PolarHBondContact O-N 3.31Å; L55-V58 VanDerWaalsContact O-N 3.14Å; V58-G61 PolarHBondContact O-N 2.67Å; V58-S62 WeakPolarHBondContact O-CB 3.29Å; V58-S62 PolarHBondContact O-N 3.27Å; V58-S62 PolarHBondContact O-OG 2.71Å
59V67.1Low58.3Low100 Ų100101.8 Ų101.861%0.60656%0.562SS**Hα-helixtrans-61.7-49.8-180172.90000111.2L55 Y56 S62 S63L55-V59 VanDerWaalsContact O-CG2 3.28Å; L55-V59 WeakPolarHBondContact O-CG2 3.31Å; L55-V59 PolarHBondContact O-N 3.29Å; Y56-V59 PolarHBondContact O-N 2.86Å; V59-S62 PolarHBondContact O-N 2.7Å; V59-S63 PolarHBondContact O-N 2.81Å
60I65.2Low56.4Low75 Ų75105.6 Ų105.639%0.38558%0.579SS.*Hα-helixtrans-74.9-28.8-179.3-153.8168.4000113.2Y56 S63Y56-I60 HydrophobicContact CE1-CD1 4.17Å; Y56-I60 HydrophobicContact CE1-CG2 4.42Å; Y56-I60 WeakPolarHBondContact O-CB 3.33Å; Y56-I60 WeakPolarHBondContact O-CG2 3.47Å; Y56-I60 PolarHBondContact O-N 2.78Å; I60-S63 PolarHBondContact O-OG 2.91Å; I60-S63 VanDerWaalsContact O-OG 3.06Å
61G51.2Low54.7Low41 Ų41106.8 Ų106.842%0.42359%0.59SS.*Hα-helixtrans-75.5-29.1175.100000112.5N57 V58N57-G61 WeakPolarHBondContact O-CA 3.2Å; N57-G61 PolarHBondContact O-N 3Å; V58-G61 PolarHBondContact O-N 2.67Å
62S48.7Very low53.4Low75 Ų75111.5 Ų111.552%0.52461%0.611SS.*Hα-helixtrans-74.2-37.5175.3-57.10000111.7V58 V59 K64 R65V58-S62 WeakPolarHBondContact O-CB 3.29Å; V58-S62 PolarHBondContact O-N 3.27Å; V58-S62 PolarHBondContact O-OG 2.71Å; V59-S62 PolarHBondContact O-N 2.7Å; S62-K64 PolarHBondContact O-N 3.04Å; S62-R65 PolarHBondContact O-N 3.15Å
63S50.8Low51.6Low93 Ų93116.4 Ų116.465%0.6563%0.63SS**Hα-helixtrans-70.2-18.1177.564.80000113.5V59 I60V59-S63 PolarHBondContact O-N 2.81Å; I60-S63 PolarHBondContact O-OG 2.91Å; I60-S63 VanDerWaalsContact O-OG 3.06Å
64K40.3Very low50.7Low166 Ų166119.7 Ų119.772%0.72265%0.653SS**THydrogen-bonded Turntrans-92.815.2178.9-142.8176.5-171178.50114.8S62 E66S62-K64 PolarHBondContact O-N 3.04Å; K64-E66 VanDerWaalsContact C-N 3.26Å; K64-E66 PolarHBondContact O-N 3.48Å
65R40.1Very low49.4Very low221 Ų221119.8 Ų119.883%0.83465%0.654SS**  trans-88.169.8168.3-72.3-169.8178.3166.1-0.1111.2S62S62-R65 PolarHBondContact O-N 3.15Å
66E39Very low48.2Very low160 Ų160122.5 Ų122.575%0.74866%0.663SS**  trans-91.286153.133.3-173.1165.200107.5K64K64-E66 VanDerWaalsContact C-N 3.26Å; K64-E66 PolarHBondContact O-N 3.48Å
67T35.2Very low46.9Very low130 Ų130122.1 Ų122.180%0.79868%0.677SS**SBendtrans-173.2131.9142.917.10000109.4N69T67-N69 PolarHBondContact O-N 2.83Å
68P39Very low46Very low130 Ų130128 Ų12884%0.84470%0.695SS**  trans-83.6116.3-169.833-30.7000110.4
69N37.9Very low45.5Very low151 Ų151130.9 Ų130.981%0.80771%0.706SS**  trans-149.898.9146.3-161.112.7000110.4T67T67-N69 PolarHBondContact O-N 2.83Å
70N37.1Very low44.4Very low133 Ų133134.2 Ų134.271%0.71172%0.715SS**  trans15.1107.4144.8-163.312.5000117.8
71S42.4Very low43.2Very low106 Ų106139.9 Ų139.974%0.74173%0.733SS**  171.699.9126.441.20000112.1
72N39.2Very low42.6Very low134 Ų134143.6 Ų143.672%0.71774%0.743SS**  trans42.9112.3131.9-58.8-16.8000120.8
73N39.7Very low42.2Very low153 Ų153145.7 Ų145.782%0.81875%0.747SS**  59.3109.7125.8-63.4-6.1000119.9
74S49.5Very low41.8Very low117 Ų117147.5 Ų147.582%0.81875%0.749SS**SBend178.381.4119.9-173.20000111.4
75F44Very low41.7Very low146 Ų146146.2 Ų146.264%0.6475%0.749SS**  trans-169.325.9151.4-137.1-106.3000114.5S77 W78F75-S77 VanDerWaalsContact C-N 3.27Å; F75-S77 PolarHBondContact O-N 3.43Å; F75-W78 HydrophobicContact CD1-CB 4.09Å; F75-W78 HydrophobicContact CD1-CG 4.34Å; F75-W78 HydrophobicContact CE1-CB 3.61Å; F75-W78 AromaticContact CE1-CD1 3.48Å; F75-W78 VanDerWaalsContact CE1-CD1 3.48Å; F75-W78 HydrophobicContact CE1-CD2 4.5Å; F75-W78 AromaticContact CE1-CG 3.58Å; F75-W78 HydrophobicContact CE1-CG 3.58Å; F75-W78 AromaticContact CE2-CD1 3.75Å; F75-W78 HydrophobicContact CZ-CB 4.27Å; F75-W78 AromaticContact CZ-CD1 3.27Å; F75-W78 HydrophobicContact CZ-CD2 4.36Å; F75-W78 AromaticContact CZ-CG 3.72Å; F75-W78 HydrophobicContact CZ-CG 3.72Å; F75-W78 AromaticContact CZ-NE1 3.67Å
76H44.8Very low41.8Very low174 Ų174140.6 Ų140.681%0.80674%0.744SS**G310 helixtrans-76.2-9.5-178.4-157.9-76.2000113.3
77S48.2Very low42.5Very low104 Ų104140 Ų14073%0.72774%0.741SS**G310 helixtrans-88.4-10-17480.40000115.3F75F75-S77 VanDerWaalsContact C-N 3.27Å; F75-S77 PolarHBondContact O-N 3.43Å
78W44.2Very low43.3Very low189 Ų189140.5 Ų140.572%0.71674%0.739SS**G310 helixtrans-95-3.8-178.7-78.287.2000113.6F75 E80F75-W78 HydrophobicContact CD1-CB 4.09Å; F75-W78 HydrophobicContact CD1-CG 4.34Å; F75-W78 HydrophobicContact CE1-CB 3.61Å; F75-W78 AromaticContact CE1-CD1 3.48Å; F75-W78 VanDerWaalsContact CE1-CD1 3.48Å; F75-W78 HydrophobicContact CE1-CD2 4.5Å; F75-W78 AromaticContact CE1-CG 3.58Å; F75-W78 HydrophobicContact CE1-CG 3.58Å; F75-W78 AromaticContact CE2-CD1 3.75Å; F75-W78 HydrophobicContact CZ-CB 4.27Å; F75-W78 AromaticContact CZ-CD1 3.27Å; F75-W78 HydrophobicContact CZ-CD2 4.36Å; F75-W78 AromaticContact CZ-CG 3.72Å; F75-W78 HydrophobicContact CZ-CG 3.72Å; F75-W78 AromaticContact CZ-NE1 3.67Å; W78-E80 PolarHBondContact O-N 2.71Å
79L51.1Low43.9Very low151 Ų151142.7 Ų142.779%0.79174%0.735SS**SBendtrans-89.13.2-168.3-132.1144.5000114.1
80E44.6Very low44.7Very low170 Ų170140.2 Ų140.279%0.79472%0.72SS**  trans-110.129.3-175.2-151.3151.7-179.600112.6W78 D82W78-E80 PolarHBondContact O-N 2.71Å; E80-D82 VanDerWaalsContact C-N 3.28Å; E80-D82 PolarHBondContact O-N 3.33Å; E80-D82 VanDerWaalsContact O-N 3.14Å
81Y40.8Very low45.6Very low194 Ų194136.4 Ų136.476%0.76171%0.707SS**  trans-86.178.5168.2-161.6-117.8000110I83Y81-I83 HydrophobicContact CD1-CD1 3.84Å; Y81-I83 HydrophobicContact CD1-CG1 4.04Å; Y81-I83 HydrophobicContact CE1-CD1 3.21Å; Y81-I83 HydrophobicContact CE1-CG1 3.63Å; Y81-I83 PolarHBondContact O-N 3.49Å
82D38.5Very low46.7Very low119 Ų119138.5 Ų138.564%0.63671%0.706SS**  trans-59.4105.1165.6-91.1-33.8000110.2E80 L84E80-D82 VanDerWaalsContact C-N 3.28Å; E80-D82 PolarHBondContact O-N 3.33Å; E80-D82 VanDerWaalsContact O-N 3.14Å; D82-L84 HydrophobicContact CB-CD1 4.33Å
83I39.8Very low47.3Very low118 Ų118142.2 Ų142.261%0.60571%0.71SS**  trans-10376.9153.2-67.5166.9000106.7Y81 L85Y81-I83 HydrophobicContact CD1-CD1 3.84Å; Y81-I83 HydrophobicContact CD1-CG1 4.04Å; Y81-I83 HydrophobicContact CE1-CD1 3.21Å; Y81-I83 HydrophobicContact CE1-CG1 3.63Å; Y81-I83 PolarHBondContact O-N 3.49Å; I83-L85 HydrophobicContact CG2-CB 4.03Å; I83-L85 PolarHBondContact O-N 2.98Å
84L42.6Very low48.4Very low132 Ų132138.9 Ų138.969%0.69169%0.694SS**  trans-65.282.5159.8-87.1152.1000108.6D82D82-L84 HydrophobicContact CB-CD1 4.33Å
85L38.5Very low48.7Very low139 Ų139134.4 Ų134.473%0.72867%0.667SS**  trans-130.183.7168.8-135.687.8000110.7I83I83-L85 HydrophobicContact CG2-CB 4.03Å; I83-L85 PolarHBondContact O-N 2.98Å
86S41.1Very low49.8Very low103 Ų103129.9 Ų129.972%0.7266%0.657SS**  trans48.785.3160.7-145.50000116.6
87E54.8Low50.7Low146 Ų146124.1 Ų124.168%0.68264%0.639SS**Hα-helixtrans-65.9-38.3-172.6-82.3174.782.100115.6K89 I90 A91E87-K89 PolarHBondContact O-N 3.42Å; E87-I90 PolarHBondContact O-N 2.88Å; E87-A91 WeakPolarHBondContact O-CA 3.29Å; E87-A91 WeakPolarHBondContact O-CB 3.34Å; E87-A91 PolarHBondContact O-N 2.98Å
88D51.6Low51.4Low141 Ų141121.5 Ų121.575%0.75462%0.621SS**Hα-helixtrans-71.9-34.6-155.8-69.3-40000116.6
89K51.5Low52.7Low176 Ų176119.1 Ų119.177%0.76562%0.618SS**Hα-helixtrans-89.6-24.7-177.4-66.8-71.6176.2-175.30112.7E87E87-K89 PolarHBondContact O-N 3.42Å
90I54.3Low53.6Low99 Ų99118.7 Ų118.751%0.50861%0.612SS.*Hα-helixtrans-87.3-42.2179.5-45.4175.6000108.5E87 Q92 R93 V94E87-I90 PolarHBondContact O-N 2.88Å; I90-Q92 VanDerWaalsContact C-N 3.34Å; I90-Q92 PolarHBondContact O-N 2.84Å; I90-R93 PolarHBondContact O-N 3.21Å; I90-V94 HydrophobicContact CG2-CG2 3.63Å; I90-V94 WeakPolarHBondContact O-CA 3.25Å; I90-V94 WeakPolarHBondContact O-CB 3.06Å; I90-V94 WeakPolarHBondContact O-CG2 3.28Å; I90-V94 PolarHBondContact O-N 3.44Å
91A57Low54.8Low53 Ų53115.9 Ų115.944%0.43860%0.602SS.*Hα-helixtrans-63-31.3179.100000113.9E87 G95E87-A91 WeakPolarHBondContact O-CA 3.29Å; E87-A91 WeakPolarHBondContact O-CB 3.34Å; E87-A91 PolarHBondContact O-N 2.98Å; A91-G95 WeakPolarHBondContact O-CA 3.36Å; A91-G95 PolarHBondContact O-N 2.76Å
92Q64.1Low56.2Low151 Ų151109.7 Ų109.771%0.70659%0.587SS**Hα-helixtrans-74.1-42.8176.3-167.1-178.821.100112.4I90 A96I90-Q92 VanDerWaalsContact C-N 3.34Å; I90-Q92 PolarHBondContact O-N 2.84Å; Q92-A96 WeakPolarHBondContact O-CB 3.41Å; Q92-A96 PolarHBondContact O-N 3.29Å
93R53.1Low57.9Low212 Ų212109.7 Ų109.780%0.859%0.587SS**Hα-helixtrans-73.2-40.9176.6-83.3-166.1-163.6-1002.7111.9I90 G95 A97I90-R93 PolarHBondContact O-N 3.21Å; R93-G95 VanDerWaalsContact C-N 3.32Å; R93-A97 WeakPolarHBondContact O-CB 3.48Å; R93-A97 PolarHBondContact O-N 3.43Å
94V61.4Low59.3Low82 Ų82110.6 Ų110.650%0.49759%0.586SS.*Hα-helixtrans-68.9-34174.4176.10000110I90 S98I90-V94 HydrophobicContact CG2-CG2 3.63Å; I90-V94 WeakPolarHBondContact O-CA 3.25Å; I90-V94 WeakPolarHBondContact O-CB 3.06Å; I90-V94 WeakPolarHBondContact O-CG2 3.28Å; I90-V94 PolarHBondContact O-N 3.44Å; V94-S98 VanDerWaalsContact O-CA 3.31Å; V94-S98 WeakPolarHBondContact O-CA 3.02Å; V94-S98 WeakPolarHBondContact O-CB 3.44Å; V94-S98 PolarHBondContact O-N 3.46Å; V94-S98 PolarHBondContact O-OG 2.78Å
95G57.4Low60.3Low24 Ų24107.7 Ų107.725%0.24757%0.571CS.*Hα-helixtrans-66.9-50.2175.300000112.8A91 R93 A97 S98 E99A91-G95 WeakPolarHBondContact O-CA 3.36Å; A91-G95 PolarHBondContact O-N 2.76Å; R93-G95 VanDerWaalsContact C-N 3.32Å; G95-A97 PolarHBondContact O-N 2.96Å; G95-S98 WeakPolarHBondContact CA-OG 2.95Å; G95-S98 PolarHBondContact O-N 3.29Å; G95-S98 PolarHBondContact O-OG 3.45Å; G95-E99 WeakPolarHBondContact O-CB 3.17Å; G95-E99 WeakPolarHBondContact O-CG 3.11Å; G95-E99 PolarHBondContact O-N 2.73Å
96A67Low61.6Low51 Ų51104.5 Ų104.542%0.42156%0.555SS.*Hα-helixtrans-66.2-39.6176.200000112.2Q92 Q100Q92-A96 WeakPolarHBondContact O-CB 3.41Å; Q92-A96 PolarHBondContact O-N 3.29Å; A96-Q100 WeakPolarHBondContact O-CG 3.43Å; A96-Q100 PolarHBondContact O-N 2.95Å
97A63.5Low62.7Low53 Ų53103.9 Ų103.944%0.43854%0.54SS..Hα-helixtrans-67.5-38.9173.900000111.3R93 G95 L101R93-A97 WeakPolarHBondContact O-CB 3.48Å; R93-A97 PolarHBondContact O-N 3.43Å; G95-A97 PolarHBondContact O-N 2.96Å; A97-L101 WeakPolarHBondContact O-CB 3.45Å; A97-L101 PolarHBondContact O-N 3.31Å
98S62.9Low63Low49 Ų49100.4 Ų100.434%0.34353%0.526SS..Hα-helixtrans-74.1-34-178.870.70000111.8V94 G95 L101 S102V94-S98 VanDerWaalsContact O-CA 3.31Å; V94-S98 WeakPolarHBondContact O-CA 3.02Å; V94-S98 WeakPolarHBondContact O-CB 3.44Å; V94-S98 PolarHBondContact O-N 3.46Å; V94-S98 PolarHBondContact O-OG 2.78Å; G95-S98 WeakPolarHBondContact CA-OG 2.95Å; G95-S98 PolarHBondContact O-N 3.29Å; G95-S98 PolarHBondContact O-OG 3.45Å; S98-L101 PolarHBondContact O-N 2.91Å; S98-S102 WeakPolarHBondContact O-CA 3.11Å; S98-S102 WeakPolarHBondContact O-CB 3.49Å; S98-S102 PolarHBondContact O-N 3.29Å; S98-S102 PolarHBondContact O-OG 3.35Å
99E70.6Confident63.6Low139 Ų13997.7 Ų97.765%0.6551%0.505SS*.Hα-helixtrans-63-50.3171.9-79.6-178.6173.100110.3G95 L101 S102 D103G95-E99 WeakPolarHBondContact O-CB 3.17Å; G95-E99 WeakPolarHBondContact O-CG 3.11Å; G95-E99 PolarHBondContact O-N 2.73Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 3.32Å; E99-S102 PolarHBondContact O-N 3.44Å; E99-D103 PolarHBondContact O-N 2.7Å
100Q70.4Confident64.1Low142 Ų14296 Ų9666%0.66449%0.494SS*.Hα-helixtrans-61.2-42.2176.6-70.3-179.4-0.500112A96 K104A96-Q100 WeakPolarHBondContact O-CG 3.43Å; A96-Q100 PolarHBondContact O-N 2.95Å; Q100-K104 WeakPolarHBondContact O-CG 3.43Å; Q100-K104 PolarHBondContact O-N 3.1Å
101L69Low64.5Low111 Ų11192.4 Ų92.458%0.58148%0.476SS*.Hα-helixtrans-68-39.6177-147.589.1000110.8A97 S98 E99 K104 L105A97-L101 WeakPolarHBondContact O-CB 3.45Å; A97-L101 PolarHBondContact O-N 3.31Å; S98-L101 PolarHBondContact O-N 2.91Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 3.32Å; L101-K104 PolarHBondContact O-N 3.45Å; L101-L105 HydrophobicContact CD2-CD1 3.88Å; L101-L105 HydrophobicContact CG-CD1 4.12Å; L101-L105 HydrophobicContact CG-CG 4.44Å; L101-L105 VanDerWaalsContact O-CB 3.24Å; L101-L105 WeakPolarHBondContact O-CB 3.37Å; L101-L105 WeakPolarHBondContact O-CG 3.32Å; L101-L105 PolarHBondContact O-N 3.19Å
102S71Confident64.5Low64 Ų6496.4 Ų96.445%0.44849%0.489SS..Hα-helixtrans-65.4-43.5-179.7-66.50000110.8S98 E99 K104 L105 N106S98-S102 WeakPolarHBondContact O-CA 3.11Å; S98-S102 WeakPolarHBondContact O-CB 3.49Å; S98-S102 PolarHBondContact O-N 3.29Å; S98-S102 PolarHBondContact O-OG 3.35Å; E99-S102 PolarHBondContact O-N 3.44Å; S102-K104 PolarHBondContact O-N 3.37Å; S102-L105 PolarHBondContact O-N 3.12Å; S102-N106 WeakPolarHBondContact O-CB 3.32Å; S102-N106 PolarHBondContact O-N 3.48Å
103D73.2Confident64Low119 Ų11994.8 Ų94.864%0.63648%0.484SS*.Hα-helixtrans-61.3-45.5174.7-84.5-17.6000111.3E99 N106 Q107E99-D103 PolarHBondContact O-N 2.7Å; D103-N106 PolarHBondContact O-N 3.05Å; D103-Q107 VanDerWaalsContact O-CB 3.29Å; D103-Q107 WeakPolarHBondContact O-CB 3.33Å; D103-Q107 PolarHBondContact O-N 3.37Å
104K69.4Low64Low137 Ų13790.8 Ų90.860%0.59648%0.476SS*.Hα-helixtrans-63.4-42.7176.3-67.6-69.5177.4-170.20112Q100 L101 S102 Q107 L108Q100-K104 WeakPolarHBondContact O-CG 3.43Å; Q100-K104 PolarHBondContact O-N 3.1Å; L101-K104 PolarHBondContact O-N 3.45Å; S102-K104 PolarHBondContact O-N 3.37Å; K104-Q107 PolarHBondContact O-N 3.24Å; K104-L108 WeakPolarHBondContact O-CB 3.39Å; K104-L108 VanDerWaalsContact O-CG 3.26Å; K104-L108 WeakPolarHBondContact O-CG 3.41Å; K104-L108 PolarHBondContact O-N 2.96Å
105L63.9Low63.8Low71 Ų7193.5 Ų93.537%0.37248%0.483SS..Hα-helixtrans-70-38.7179.5-73.4172.4000112L101 S102 Q107 L108 R109L101-L105 HydrophobicContact CD2-CD1 3.88Å; L101-L105 HydrophobicContact CG-CD1 4.12Å; L101-L105 HydrophobicContact CG-CG 4.44Å; L101-L105 VanDerWaalsContact O-CB 3.24Å; L101-L105 WeakPolarHBondContact O-CB 3.37Å; L101-L105 WeakPolarHBondContact O-CG 3.32Å; L101-L105 PolarHBondContact O-N 3.19Å; S102-L105 PolarHBondContact O-N 3.12Å; L105-Q107 VanDerWaalsContact C-N 3.33Å; L105-L108 HydrophobicContact CD2-CD1 4.4Å; L105-L108 PolarHBondContact O-N 2.9Å; L105-R109 VanDerWaalsContact O-CB 3.3Å; L105-R109 WeakPolarHBondContact O-CB 3.25Å; L105-R109 PolarHBondContact O-N 2.91Å
106N66Low63.8Low71 Ų7195.6 Ų95.638%0.3849%0.489SS..Hα-helixtrans-69.3-36.3177.4-160.422.2000110.7S102 D103 R109 R110S102-N106 WeakPolarHBondContact O-CB 3.32Å; S102-N106 PolarHBondContact O-N 3.48Å; D103-N106 PolarHBondContact O-N 3.05Å; N106-R109 PolarHBondContact O-N 2.91Å; N106-R110 WeakPolarHBondContact O-CB 3.46Å; N106-R110 PolarHBondContact O-N 3.2Å
107Q63.9Low63.9Low90 Ų90101.8 Ų101.842%0.42150%0.503SS..Hα-helixtrans-63.6-48.5170.4-164.1176.314.800111D103 K104 L105 R109 R110 M111D103-Q107 VanDerWaalsContact O-CB 3.29Å; D103-Q107 WeakPolarHBondContact O-CB 3.33Å; D103-Q107 PolarHBondContact O-N 3.37Å; K104-Q107 PolarHBondContact O-N 3.24Å; L105-Q107 VanDerWaalsContact C-N 3.33Å; Q107-R109 VanDerWaalsContact C-N 3.32Å; Q107-R109 PolarHBondContact O-N 2.79Å; Q107-R110 PolarHBondContact O-N 3.37Å; Q107-M111 HydrophobicContact CG-CE 3.9Å; Q107-M111 VanDerWaalsContact O-CG 3.29Å; Q107-M111 WeakPolarHBondContact O-CG 3.3Å; Q107-M111 PolarHBondContact O-N 2.91Å
108L62.1Low64.3Low74 Ų74108.2 Ų108.239%0.38752%0.521SS..Hα-helixtrans-58.6-41.8175.1-75169.3000112.6K104 L105 M111 L112 L123K104-L108 WeakPolarHBondContact O-CB 3.39Å; K104-L108 VanDerWaalsContact O-CG 3.26Å; K104-L108 WeakPolarHBondContact O-CG 3.41Å; K104-L108 PolarHBondContact O-N 2.96Å; L105-L108 HydrophobicContact CD2-CD1 4.4Å; L105-L108 PolarHBondContact O-N 2.9Å; L108-M111 PolarHBondContact O-N 2.77Å; L108-L112 WeakPolarHBondContact O-CB 3.34Å; L108-L112 PolarHBondContact O-N 3.24Å; L108-L123 HydrophobicContact CD2-CD1 3.49Å; L108-L123 VanDerWaalsContact CD2-CD1 3.49Å; L108-L123 HydrophobicContact CD2-CD2 4.02Å; L108-L123 HydrophobicContact CD2-CG 4.42Å
109R63.3Low64.3Low83 Ų83109 Ų10931%0.31352%0.52SS..Hα-helixtrans-60.3-46.2175.8178.1-173168.6155.14.7111.2N57 L105 N106 Q107 M111 L112 L113N57-R109 PolarHBondContact OD1-NH1 2.84Å; N57-R109 PolarHBondContact OD1-NH2 2.84Å; L105-R109 VanDerWaalsContact O-CB 3.3Å; L105-R109 WeakPolarHBondContact O-CB 3.25Å; L105-R109 PolarHBondContact O-N 2.91Å; N106-R109 PolarHBondContact O-N 2.91Å; Q107-R109 VanDerWaalsContact C-N 3.32Å; Q107-R109 PolarHBondContact O-N 2.79Å; R109-M111 VanDerWaalsContact C-N 3.34Å; R109-L112 PolarHBondContact O-N 3.31Å; R109-L113 WeakPolarHBondContact O-CB 3.48Å; R109-L113 PolarHBondContact O-N 2.83Å
110R63.6Low64.2Low142 Ų142104.3 Ų104.354%0.53650%0.5SS..Hα-helixtrans-62.1-42.3177.6-170.9-179.2-60.8-120.20.4111.3N106 Q107 L112N106-R110 WeakPolarHBondContact O-CB 3.46Å; N106-R110 PolarHBondContact O-N 3.2Å; Q107-R110 PolarHBondContact O-N 3.37Å; R110-L112 VanDerWaalsContact C-N 3.35Å; R110-L112 PolarHBondContact O-N 3.37Å
111M62.1Low64.5Low23 Ų2399.7 Ų99.711%0.11349%0.486CS..Hα-helixtrans-64.9-35175.3-64.9-165.5-178.800113Q107 L108 R109 E119 T120 L123Q107-M111 HydrophobicContact CG-CE 3.9Å; Q107-M111 VanDerWaalsContact O-CG 3.29Å; Q107-M111 WeakPolarHBondContact O-CG 3.3Å; Q107-M111 PolarHBondContact O-N 2.91Å; L108-M111 PolarHBondContact O-N 2.77Å; R109-M111 VanDerWaalsContact C-N 3.34Å; M111-E119 HydrophobicContact CB-CB 4.45Å; M111-E119 HydrophobicContact CE-CB 4.03Å; M111-E119 HydrophobicContact CE-CG 4.43Å; M111-E119 HydrophobicContact CG-CB 3.69Å; M111-E119 HydrophobicContact SD-CB 4.06Å; M111-T120 WeakPolarHBondContact O-CB 3.41Å; M111-T120 PolarHBondContact O-OG1 2.85Å; M111-L123 HydrophobicContact CB-CB 4.43Å; M111-L123 HydrophobicContact CB-CD2 3.95Å; M111-L123 HydrophobicContact SD-CB 4.01Å
112L55.9Low64.7Low137 Ų137101.9 Ų101.972%0.71749%0.491SS*.Hα-helixtrans-79.2-31.3-179.1-163.5146.1000112.6L108 R109 R110 M114L108-L112 WeakPolarHBondContact O-CB 3.34Å; L108-L112 PolarHBondContact O-N 3.24Å; R109-L112 PolarHBondContact O-N 3.31Å; R110-L112 VanDerWaalsContact C-N 3.35Å; R110-L112 PolarHBondContact O-N 3.37Å; L112-M114 PolarHBondContact O-N 3.36Å
113L54.8Low64.7Low117 Ų117100.6 Ų100.661%0.61348%0.479SS*.THydrogen-bonded Turntrans-75.320.7179.3-15186.9000114R109 Q115R109-L113 WeakPolarHBondContact O-CB 3.48Å; R109-L113 PolarHBondContact O-N 2.83Å; L113-Q115 PolarHBondContact O-N 3.45Å
114M53.7Low64.8Low127 Ų12797.5 Ų97.563%0.62647%0.47SS*.THydrogen-bonded Turntrans4926.3173.7-141.3-162-84.900114.9L112 D116L112-M114 PolarHBondContact O-N 3.36Å; M114-D116 VanDerWaalsContact C-N 3.34Å
115Q56.3Low65.2Low139 Ų13995.7 Ų95.765%0.6547%0.466SS*.SBendtrans-73.7-32.3178.8-167.974.831.700110.7L113L113-Q115 PolarHBondContact O-N 3.45Å
116D58.1Low65.8Low68 Ų6894 Ų9436%0.36447%0.466SS..  trans-127.6100.2-178.3-69.9-60.3000110.6M114 F118 E119 T120M114-D116 VanDerWaalsContact C-N 3.34Å; D116-F118 PolarHBondContact O-N 3.39Å; D116-E119 HydrophobicContact CB-CB 4.05Å; D116-E119 HydrophobicContact CB-CG 3.88Å; D116-E119 PolarHBondContact O-N 2.93Å; D116-T120 PolarHBondContact O-N 3.05Å; D116-T120 PolarHBondContact O-OG1 2.79Å; D116-T120 VanDerWaalsContact O-OG1 3.12Å
117Y69Low66.1Low182 Ų18295.2 Ų95.271%0.71447%0.471SS*.Hα-helixtrans-49.1-37178.9-67.9-87.5000113.1A121Y117-A121 VanDerWaalsContact O-CB 3.27Å; Y117-A121 WeakPolarHBondContact O-CB 3.4Å; Y117-A121 PolarHBondContact O-N 3.47Å
118F72Confident66.8Low188 Ų18898.1 Ų98.183%0.82548%0.48SS*.Hα-helixtrans-72.8-39.9179.7-82.1-82.5000113.5D116 A121 K122D116-F118 PolarHBondContact O-N 3.39Å; F118-A121 PolarHBondContact O-N 2.8Å; F118-K122 PolarHBondContact O-N 2.78Å
119E62.3Low67.4Low66 Ų6698.8 Ų98.831%0.30848%0.483SS..Hα-helixtrans-75.1-38.9-179.4-58.2-164.5151.200111.2M111 D116 A121 K122 L123M111-E119 HydrophobicContact CB-CB 4.45Å; M111-E119 HydrophobicContact CE-CB 4.03Å; M111-E119 HydrophobicContact CE-CG 4.43Å; M111-E119 HydrophobicContact CG-CB 3.69Å; M111-E119 HydrophobicContact SD-CB 4.06Å; D116-E119 HydrophobicContact CB-CB 4.05Å; D116-E119 HydrophobicContact CB-CG 3.88Å; D116-E119 PolarHBondContact O-N 2.93Å; E119-A121 VanDerWaalsContact C-N 3.31Å; E119-A121 PolarHBondContact O-N 2.81Å; E119-K122 PolarHBondContact O-N 3.03Å; E119-L123 PolarHBondContact O-N 3.27Å
120T69.2Low67.9Low39 Ų39100.1 Ų100.124%0.23950%0.496CS..Hα-helixtrans-58.1-44.3169.8-49.20000110.9M111 D116 K122 L123 A124M111-T120 WeakPolarHBondContact O-CB 3.41Å; M111-T120 PolarHBondContact O-OG1 2.85Å; D116-T120 PolarHBondContact O-N 3.05Å; D116-T120 PolarHBondContact O-OG1 2.79Å; D116-T120 VanDerWaalsContact O-OG1 3.12Å; T120-K122 PolarHBondContact O-N 2.83Å; T120-L123 PolarHBondContact O-N 2.89Å; T120-A124 VanDerWaalsContact O-CB 3.31Å; T120-A124 WeakPolarHBondContact O-CB 3.15Å; T120-A124 PolarHBondContact O-N 2.93Å
121A75Confident68.5Low45 Ų4597.2 Ų97.237%0.37250%0.497SS..Hα-helixtrans-61.6-43.5176.100000111.9Y117 F118 E119 L123 A124 I125Y117-A121 VanDerWaalsContact O-CB 3.27Å; Y117-A121 WeakPolarHBondContact O-CB 3.4Å; Y117-A121 PolarHBondContact O-N 3.47Å; F118-A121 PolarHBondContact O-N 2.8Å; E119-A121 VanDerWaalsContact C-N 3.31Å; E119-A121 PolarHBondContact O-N 2.81Å; A121-L123 PolarHBondContact O-N 3.16Å; A121-A124 PolarHBondContact O-N 2.97Å; A121-I125 WeakPolarHBondContact O-CB 3.31Å; A121-I125 WeakPolarHBondContact O-CD1 3.34Å; A121-I125 WeakPolarHBondContact O-CG1 3.33Å; A121-I125 PolarHBondContact O-N 3.31Å
122K73.1Confident69Low157 Ų15799.2 Ų99.268%0.68351%0.507SS*.Hα-helixtrans-63-41.3176.5-174.5177.6179.8179.70112.2F118 E119 T120 G126F118-K122 PolarHBondContact O-N 2.78Å; E119-K122 PolarHBondContact O-N 3.03Å; T120-K122 PolarHBondContact O-N 2.83Å; K122-G126 PolarHBondContact O-N 3.48Å
123L72.2Confident69.5Low37 Ų3795.2 Ų95.219%0.19449%0.488CS..Hα-helixtrans-66.3-43.6175.3-178.464.5000111.4L108 M111 E119 T120 A121 G126 L127L108-L123 HydrophobicContact CD2-CD1 3.49Å; L108-L123 VanDerWaalsContact CD2-CD1 3.49Å; L108-L123 HydrophobicContact CD2-CD2 4.02Å; L108-L123 HydrophobicContact CD2-CG 4.42Å; M111-L123 HydrophobicContact CB-CB 4.43Å; M111-L123 HydrophobicContact CB-CD2 3.95Å; M111-L123 HydrophobicContact SD-CB 4.01Å; E119-L123 PolarHBondContact O-N 3.27Å; T120-L123 PolarHBondContact O-N 2.89Å; A121-L123 PolarHBondContact O-N 3.16Å; L123-G126 CarbonylContact O-C 3.51Å; L123-G126 WeakPolarHBondContact O-CA 3.17Å; L123-G126 PolarHBondContact O-N 3.43Å; L123-G126 VanDerWaalsContact O-N 3.12Å; L123-L127 HydrophobicContact CD1-CG 4.44Å; L123-L127 HydrophobicContact CG-CD1 4.23Å; L123-L127 HydrophobicContact CG-CG 4.48Å; L123-L127 WeakPolarHBondContact O-CB 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.16Å; L123-L127 PolarHBondContact O-N 3.47Å
124A75.9Confident70Confident54 Ų5491.7 Ų91.745%0.44648%0.481SS..Hα-helixtrans-62.4-43.2176.800000111.4T120 A121 G126 L127 Y128T120-A124 VanDerWaalsContact O-CB 3.31Å; T120-A124 WeakPolarHBondContact O-CB 3.15Å; T120-A124 PolarHBondContact O-N 2.93Å; A121-A124 PolarHBondContact O-N 2.97Å; A124-G126 VanDerWaalsContact C-N 3.32Å; A124-L127 PolarHBondContact O-N 3.37Å; A124-Y128 WeakPolarHBondContact O-CB 3.39Å; A124-Y128 PolarHBondContact O-N 2.89Å
125I77.9Confident70.7Confident100 Ų10088.2 Ų88.251%0.51348%0.477SS..Hα-helixtrans-62.2-42171.6-67.2162000110.1A121 Y128 I129A121-I125 WeakPolarHBondContact O-CB 3.31Å; A121-I125 WeakPolarHBondContact O-CD1 3.34Å; A121-I125 WeakPolarHBondContact O-CG1 3.33Å; A121-I125 PolarHBondContact O-N 3.31Å; I125-Y128 PolarHBondContact O-N 3.39Å; I125-I129 HydrophobicContact CG2-CD1 3.77Å; I125-I129 HydrophobicContact CG2-CG1 4.31Å; I125-I129 WeakPolarHBondContact O-CB 3.33Å; I125-I129 VanDerWaalsContact O-CG1 3.25Å; I125-I129 WeakPolarHBondContact O-CG1 3.34Å; I125-I129 PolarHBondContact O-N 3.36Å
126G74.8Confident70.9Confident36 Ų3691.4 Ų91.437%0.37148%0.483SS..Hα-helixtrans-61.2-45.6176.200000112.6K122 L123 A124 I129 L130K122-G126 PolarHBondContact O-N 3.48Å; L123-G126 CarbonylContact O-C 3.51Å; L123-G126 WeakPolarHBondContact O-CA 3.17Å; L123-G126 PolarHBondContact O-N 3.43Å; L123-G126 VanDerWaalsContact O-N 3.12Å; A124-G126 VanDerWaalsContact C-N 3.32Å; G126-I129 PolarHBondContact O-N 3.01Å; G126-L130 VanDerWaalsContact O-CB 3.26Å; G126-L130 WeakPolarHBondContact O-CB 3.35Å; G126-L130 PolarHBondContact O-N 3.36Å
127L73.5Confident70.9Confident95 Ų9594.9 Ų94.950%0.49750%0.496SS..Hα-helixtrans-67.3-34.6174.3-73.5174.1000112L123 A124 L130 S131L123-L127 HydrophobicContact CD1-CG 4.44Å; L123-L127 HydrophobicContact CG-CD1 4.23Å; L123-L127 HydrophobicContact CG-CG 4.48Å; L123-L127 WeakPolarHBondContact O-CB 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.16Å; L123-L127 PolarHBondContact O-N 3.47Å; A124-L127 PolarHBondContact O-N 3.37Å; L127-L130 HydrophobicContact CD2-CD2 4.33Å; L127-L130 CarbonylContact O-C 3.59Å; L127-L130 PolarHBondContact O-N 3.48Å; L127-S131 WeakPolarHBondContact O-CB 3.3Å; L127-S131 PolarHBondContact O-N 3.16Å; L127-S131 PolarHBondContact O-OG 3.26Å
128Y77.7Confident70.9Confident152 Ų15289.2 Ų89.260%0.59648%0.477SS*.Hα-helixtrans-68.4-44.8174.7-177.9-106.3000111.3A124 I125 L130 S131 I132A124-Y128 WeakPolarHBondContact O-CB 3.39Å; A124-Y128 PolarHBondContact O-N 2.89Å; I125-Y128 PolarHBondContact O-N 3.39Å; Y128-L130 VanDerWaalsContact C-N 3.34Å; Y128-S131 CarbonylContact O-C 3.58Å; Y128-S131 WeakPolarHBondContact O-CB 3.35Å; Y128-S131 PolarHBondContact O-N 2.98Å; Y128-S131 VanDerWaalsContact O-N 3.14Å; Y128-I132 HydrophobicContact CD1-CD1 3.7Å; Y128-I132 HydrophobicContact CE1-CD1 3.33Å; Y128-I132 HydrophobicContact CE1-CG1 4.3Å; Y128-I132 HydrophobicContact CG-CD1 4.5Å; Y128-I132 WeakPolarHBondContact O-CG1 3.24Å; Y128-I132 PolarHBondContact O-N 2.81Å
129I76Confident70.8Confident88 Ų8884.6 Ų84.645%0.45146%0.461SS..Hα-helixtrans-62.7-42.9171.5-68.1168.3000109.7I125 G126 S131 I132 V133I125-I129 HydrophobicContact CG2-CD1 3.77Å; I125-I129 HydrophobicContact CG2-CG1 4.31Å; I125-I129 WeakPolarHBondContact O-CB 3.33Å; I125-I129 VanDerWaalsContact O-CG1 3.25Å; I125-I129 WeakPolarHBondContact O-CG1 3.34Å; I125-I129 PolarHBondContact O-N 3.36Å; G126-I129 PolarHBondContact O-N 3.01Å; I129-S131 PolarHBondContact O-N 2.89Å; I129-I132 CarbonylContact O-C 3.5Å; I129-I132 PolarHBondContact O-N 3.39Å; I129-I132 VanDerWaalsContact O-N 3.15Å; I129-V133 HydrophobicContact CG2-CG2 3.97Å; I129-V133 VanDerWaalsContact O-CB 3.29Å; I129-V133 WeakPolarHBondContact O-CB 3.47Å; I129-V133 WeakPolarHBondContact O-CG2 3.29Å; I129-V133 PolarHBondContact O-N 3.44Å
130L72.3Confident71.4Confident111 Ų11183.1 Ų83.158%0.58146%0.455SS*.Hα-helixtrans-61.7-33.2175-172.967.6000111.6G126 L127 Y128 G134G126-L130 VanDerWaalsContact O-CB 3.26Å; G126-L130 WeakPolarHBondContact O-CB 3.35Å; G126-L130 PolarHBondContact O-N 3.36Å; L127-L130 HydrophobicContact CD2-CD2 4.33Å; L127-L130 CarbonylContact O-C 3.59Å; L127-L130 PolarHBondContact O-N 3.48Å; Y128-L130 VanDerWaalsContact C-N 3.34Å; L130-G134 WeakPolarHBondContact O-CA 3.48Å; L130-G134 PolarHBondContact O-N 2.81Å
131S77.6Confident72Confident81 Ų8183.8 Ų83.857%0.56646%0.459SS*.Hα-helixtrans-71.5-40.3173.8-58.90000111.6L127 Y128 I129 G134 G135L127-S131 WeakPolarHBondContact O-CB 3.3Å; L127-S131 PolarHBondContact O-N 3.16Å; L127-S131 PolarHBondContact O-OG 3.26Å; Y128-S131 CarbonylContact O-C 3.58Å; Y128-S131 WeakPolarHBondContact O-CB 3.35Å; Y128-S131 PolarHBondContact O-N 2.98Å; Y128-S131 VanDerWaalsContact O-N 3.14Å; I129-S131 PolarHBondContact O-N 2.89Å; S131-G134 PolarHBondContact O-N 3.41Å; S131-G135 PolarHBondContact O-N 2.86Å
132I72.8Confident72.2Confident64 Ų6486.9 Ų86.933%0.32847%0.469SS..Hα-helixtrans-63.9-48.7173-70.3164.3000110.2Y128 I129 G134 G135 W136Y128-I132 HydrophobicContact CD1-CD1 3.7Å; Y128-I132 HydrophobicContact CE1-CD1 3.33Å; Y128-I132 HydrophobicContact CE1-CG1 4.3Å; Y128-I132 HydrophobicContact CG-CD1 4.5Å; Y128-I132 WeakPolarHBondContact O-CG1 3.24Å; Y128-I132 PolarHBondContact O-N 2.81Å; I129-I132 CarbonylContact O-C 3.5Å; I129-I132 PolarHBondContact O-N 3.39Å; I129-I132 VanDerWaalsContact O-N 3.15Å; I132-G134 VanDerWaalsContact C-N 3.32Å; I132-G134 PolarHBondContact O-N 3.23Å; I132-G135 CarbonylContact O-C 3.46Å; I132-G135 WeakPolarHBondContact O-CA 3.46Å; I132-G135 PolarHBondContact O-N 3.19Å; I132-W136 PolarHBondContact O-N 2.8Å
133V66.1Low72.6Confident53 Ų5382.6 Ų82.632%0.32145%0.453SS..Hα-helixtrans-62.6-40.6176.9171.70000109.9I129 G135 W136 F137I129-V133 HydrophobicContact CG2-CG2 3.97Å; I129-V133 VanDerWaalsContact O-CB 3.29Å; I129-V133 WeakPolarHBondContact O-CB 3.47Å; I129-V133 WeakPolarHBondContact O-CG2 3.29Å; I129-V133 PolarHBondContact O-N 3.44Å; V133-G135 VanDerWaalsContact C-N 3.29Å; V133-G135 PolarHBondContact O-N 3.48Å; V133-W136 CarbonylContact O-C 3.57Å; V133-W136 WeakPolarHBondContact O-CA 3.24Å; V133-W136 WeakPolarHBondContact O-CB 3.29Å; V133-W136 PolarHBondContact O-N 2.89Å; V133-W136 VanDerWaalsContact O-N 3.1Å; V133-F137 HydrophobicContact CG1-CD2 3.57Å; V133-F137 HydrophobicContact CG1-CE2 3.83Å; V133-F137 WeakPolarHBondContact O-CB 3.33Å; V133-F137 WeakPolarHBondContact O-CD2 3.13Å; V133-F137 PolarHBondContact O-N 2.77Å
134G64.1Low73.3Confident44 Ų4482.2 Ų82.245%0.45445%0.451SS..Hα-helixtrans-60.8-37.8170.900000112.4L130 S131 I132 F137 N138L130-G134 WeakPolarHBondContact O-CA 3.48Å; L130-G134 PolarHBondContact O-N 2.81Å; S131-G134 PolarHBondContact O-N 3.41Å; I132-G134 VanDerWaalsContact C-N 3.32Å; I132-G134 PolarHBondContact O-N 3.23Å; G134-F137 CarbonylContact O-C 3.58Å; G134-F137 PolarHBondContact O-N 3.29Å; G134-N138 PolarHBondContact O-N 3.19Å
135G67.9Low73.7Confident53 Ų5384 Ų8455%0.54645%0.452SS..Hα-helixtrans-65.7-36.2170.600000113.3S131 I132 V133 N138S131-G135 PolarHBondContact O-N 2.86Å; I132-G135 CarbonylContact O-C 3.46Å; I132-G135 WeakPolarHBondContact O-CA 3.46Å; I132-G135 PolarHBondContact O-N 3.19Å; V133-G135 VanDerWaalsContact C-N 3.29Å; V133-G135 PolarHBondContact O-N 3.48Å; G135-N138 PolarHBondContact O-N 3.16Å
136W62.3Low74.1Confident206 Ų20684.8 Ų84.878%0.7846%0.456SS*.Hα-helixtrans-72.9-35.1173.4-69.928.1000111.5I132 V133 N138I132-W136 PolarHBondContact O-N 2.8Å; V133-W136 CarbonylContact O-C 3.57Å; V133-W136 WeakPolarHBondContact O-CA 3.24Å; V133-W136 WeakPolarHBondContact O-CB 3.29Å; V133-W136 PolarHBondContact O-N 2.89Å; V133-W136 VanDerWaalsContact O-N 3.1Å; W136-N138 PolarHBondContact O-N 2.82Å; W136-N138 VanDerWaalsContact O-N 3.12Å
137F58.1Low74.6Confident142 Ų14286.5 Ų86.562%0.62345%0.454SS*.THydrogen-bonded Turntrans-77.723.5172.3-91.2-82.4000113.2V133 G134 L139V133-F137 HydrophobicContact CG1-CD2 3.57Å; V133-F137 HydrophobicContact CG1-CE2 3.83Å; V133-F137 WeakPolarHBondContact O-CB 3.33Å; V133-F137 WeakPolarHBondContact O-CD2 3.13Å; V133-F137 PolarHBondContact O-N 2.77Å; G134-F137 CarbonylContact O-C 3.58Å; G134-F137 PolarHBondContact O-N 3.29Å; F137-L139 HydrophobicContact CD1-CB 4.08Å; F137-L139 HydrophobicContact CD1-CD1 4.2Å; F137-L139 HydrophobicContact CE1-CD1 4.04Å; F137-L139 PolarHBondContact O-N 3.47Å
138N68.9Low75.2Confident62 Ų6284.6 Ų84.633%0.33245%0.446SS..  trans-66.951.6138.6-153.6-11.4000110.2G134 G135 W136 L140 T141 L142G134-N138 PolarHBondContact O-N 3.19Å; G135-N138 PolarHBondContact O-N 3.16Å; W136-N138 PolarHBondContact O-N 2.82Å; W136-N138 VanDerWaalsContact O-N 3.12Å; N138-L140 PolarHBondContact O-N 3.33Å; N138-L140 VanDerWaalsContact O-N 3.16Å; N138-T141 PolarHBondContact ND2-OG1 2.96Å; N138-T141 WeakPolarHBondContact O-CA 3.48Å; N138-T141 WeakPolarHBondContact O-CB 3.24Å; N138-T141 PolarHBondContact O-N 3.24Å; N138-T141 WeakPolarHBondContact OD1-CB 3.43Å; N138-T141 PolarHBondContact OD1-N 3.5Å; N138-T141 VanDerWaalsContact OD1-N 3.16Å; N138-T141 PolarHBondContact OD1-OG1 3.37Å; N138-L142 PolarHBondContact O-N 3.48Å
139L70Confident75.5Confident91 Ų9181.4 Ų81.448%0.47644%0.438SS..Hα-helixtrans-54-33.6177.2177.3123.5000109.6F137 L142 I143F137-L139 HydrophobicContact CD1-CB 4.08Å; F137-L139 HydrophobicContact CD1-CD1 4.2Å; F137-L139 HydrophobicContact CE1-CD1 4.04Å; F137-L139 PolarHBondContact O-N 3.47Å; L139-L142 CarbonylContact O-C 3.59Å; L139-L142 WeakPolarHBondContact O-CB 3.31Å; L139-L142 PolarHBondContact O-N 3Å; L139-I143 HydrophobicContact CD2-CD1 3.71Å; L139-I143 HydrophobicContact CG-CD1 4.32Å; L139-I143 VanDerWaalsContact O-CG1 3.27Å; L139-I143 WeakPolarHBondContact O-CG1 3.27Å; L139-I143 PolarHBondContact O-N 3.34Å
140L73.8Confident75.8Confident36 Ų3678.9 Ų78.919%0.18843%0.434CS..Hα-helixtrans-65.4-40.1171.5-82.3155.2000113.1S31 N138 L142 I143 I144S31-L140 VanDerWaalsContact OG-CB 3.3Å; S31-L140 WeakPolarHBondContact OG-CB 3.37Å; N138-L140 PolarHBondContact O-N 3.33Å; N138-L140 VanDerWaalsContact O-N 3.16Å; L140-L142 VanDerWaalsContact C-N 3.3Å; L140-L142 PolarHBondContact O-N 3.41Å; L140-I143 HydrophobicContact CD2-CD1 4.45Å; L140-I143 CarbonylContact O-C 3.6Å; L140-I143 WeakPolarHBondContact O-CB 3.49Å; L140-I143 PolarHBondContact O-N 2.8Å; L140-I144 WeakPolarHBondContact O-CB 3.38Å; L140-I144 VanDerWaalsContact O-CG1 3.24Å; L140-I144 WeakPolarHBondContact O-CG1 3.31Å; L140-I144 PolarHBondContact O-N 3.48Å
141T81.1Confident76.3Confident52 Ų5274.6 Ų74.632%0.31941%0.412SS..Hα-helixtrans-63.2-37.7170.1-68.70000111.6N138 I143 I144 I145N138-T141 PolarHBondContact ND2-OG1 2.96Å; N138-T141 WeakPolarHBondContact O-CA 3.48Å; N138-T141 WeakPolarHBondContact O-CB 3.24Å; N138-T141 PolarHBondContact O-N 3.24Å; N138-T141 WeakPolarHBondContact OD1-CB 3.43Å; N138-T141 PolarHBondContact OD1-N 3.5Å; N138-T141 VanDerWaalsContact OD1-N 3.16Å; N138-T141 PolarHBondContact OD1-OG1 3.37Å; T141-I143 VanDerWaalsContact C-N 3.34Å; T141-I143 PolarHBondContact O-N 2.83Å; T141-I144 PolarHBondContact O-N 3.25Å; T141-I145 HydrophobicContact CG2-CD1 3.88Å; T141-I145 HydrophobicContact CG2-CG1 4.34Å; T141-I145 WeakPolarHBondContact O-CB 3.34Å; T141-I145 VanDerWaalsContact O-CG1 3.24Å; T141-I145 WeakPolarHBondContact O-CG1 3.32Å; T141-I145 PolarHBondContact O-N 3.47Å
142L80.3Confident76.4Confident111 Ų11174 Ų7458%0.58141%0.405SS*.Hα-helixtrans-64.2-39.2172.9-169.9142.2000111.8N138 L139 L140 I145 L146N138-L142 PolarHBondContact O-N 3.48Å; L139-L142 CarbonylContact O-C 3.59Å; L139-L142 WeakPolarHBondContact O-CB 3.31Å; L139-L142 PolarHBondContact O-N 3Å; L140-L142 VanDerWaalsContact C-N 3.3Å; L140-L142 PolarHBondContact O-N 3.41Å; L142-I145 PolarHBondContact O-N 2.86Å; L142-L146 VanDerWaalsContact O-CB 3.31Å; L142-L146 WeakPolarHBondContact O-CB 3.47Å; L142-L146 PolarHBondContact O-N 3.19Å
143I82.1Confident76.7Confident67 Ų6773.9 Ų73.934%0.34441%0.409SS..Hα-helixtrans-64.1-43173.1-69.7164.7000110.9L27 L139 L140 T141 L146 F147L27-I143 HydrophobicContact CD2-CG2 4.48Å; L139-I143 HydrophobicContact CD2-CD1 3.71Å; L139-I143 HydrophobicContact CG-CD1 4.32Å; L139-I143 VanDerWaalsContact O-CG1 3.27Å; L139-I143 WeakPolarHBondContact O-CG1 3.27Å; L139-I143 PolarHBondContact O-N 3.34Å; L140-I143 HydrophobicContact CD2-CD1 4.45Å; L140-I143 CarbonylContact O-C 3.6Å; L140-I143 WeakPolarHBondContact O-CB 3.49Å; L140-I143 PolarHBondContact O-N 2.8Å; T141-I143 VanDerWaalsContact C-N 3.34Å; T141-I143 PolarHBondContact O-N 2.83Å; I143-L146 PolarHBondContact O-N 3.41Å; I143-F147 VanDerWaalsContact O-CB 3.27Å; I143-F147 WeakPolarHBondContact O-CB 3.44Å; I143-F147 PolarHBondContact O-N 2.7Å
144I85.5Confident77.2Confident29 Ų2973 Ų7315%0.14941%0.405CS..Hα-helixtrans-62.2-47175.9-69.7162.5000109.5L24 L27 L28 L140 T141 L146 F147 V148L24-I144 HydrophobicContact CD2-CG2 4.41Å; L27-I144 HydrophobicContact CB-CG1 4.17Å; L28-I144 HydrophobicContact CD1-CD1 4.26Å; L140-I144 WeakPolarHBondContact O-CB 3.38Å; L140-I144 VanDerWaalsContact O-CG1 3.24Å; L140-I144 WeakPolarHBondContact O-CG1 3.31Å; L140-I144 PolarHBondContact O-N 3.48Å; T141-I144 PolarHBondContact O-N 3.25Å; I144-L146 PolarHBondContact O-N 2.87Å; I144-F147 PolarHBondContact O-N 3.21Å; I144-V148 HydrophobicContact CG2-CG2 4.26Å; I144-V148 WeakPolarHBondContact O-CB 3.43Å; I144-V148 VanDerWaalsContact O-CG2 3.22Å; I144-V148 WeakPolarHBondContact O-CG2 3.33Å; I144-V148 PolarHBondContact O-N 2.87Å
145I85.4Confident77.6Confident92 Ų9275.7 Ų75.747%0.47240%0.401SS..Hα-helixtrans-60.4-46.2176.1-70166.8000110.2T141 L142 F147 V148 L149T141-I145 HydrophobicContact CG2-CD1 3.88Å; T141-I145 HydrophobicContact CG2-CG1 4.34Å; T141-I145 WeakPolarHBondContact O-CB 3.34Å; T141-I145 VanDerWaalsContact O-CG1 3.24Å; T141-I145 WeakPolarHBondContact O-CG1 3.32Å; T141-I145 PolarHBondContact O-N 3.47Å; L142-I145 PolarHBondContact O-N 2.86Å; I145-F147 VanDerWaalsContact C-N 3.32Å; I145-F147 PolarHBondContact O-N 3.32Å; I145-V148 PolarHBondContact O-N 2.72Å; I145-L149 HydrophobicContact CG2-CD1 3.66Å; I145-L149 HydrophobicContact CG2-CG 4.09Å; I145-L149 VanDerWaalsContact O-CB 3.24Å; I145-L149 WeakPolarHBondContact O-CB 3.34Å; I145-L149 VanDerWaalsContact O-CG 3.22Å; I145-L149 WeakPolarHBondContact O-CG 3.36Å; I145-L149 PolarHBondContact O-N 2.9Å
146L85.7Confident78.1Confident116 Ų11677.3 Ų77.361%0.60740%0.397SS*.Hα-helixtrans-62.9-38.8178.1-177.863.5000111.7L142 I143 I144 G150L142-L146 VanDerWaalsContact O-CB 3.31Å; L142-L146 WeakPolarHBondContact O-CB 3.47Å; L142-L146 PolarHBondContact O-N 3.19Å; I143-L146 PolarHBondContact O-N 3.41Å; I144-L146 PolarHBondContact O-N 2.87Å; L146-G150 WeakPolarHBondContact O-CA 3.35Å; L146-G150 PolarHBondContact O-N 3.45Å
147F85.9Confident78.7Confident72 Ų7272.5 Ų72.532%0.31638%0.379SS..Hα-helixtrans-67.7-46.4176.3-174.9-97.6000111.3L24 L27 I143 I144 I145 G150 L151L24-F147 HydrophobicContact CD2-CD1 3.66Å; L24-F147 HydrophobicContact CD2-CE1 4.08Å; L24-F147 HydrophobicContact CG-CD1 4.18Å; L24-F147 HydrophobicContact CG-CE1 4.08Å; L27-F147 HydrophobicContact CD1-CB 3.81Å; L27-F147 HydrophobicContact CD1-CD1 3.65Å; L27-F147 HydrophobicContact CD1-CD2 3.81Å; L27-F147 HydrophobicContact CD1-CE1 4.1Å; L27-F147 HydrophobicContact CD1-CE2 4.26Å; L27-F147 HydrophobicContact CD1-CG 3.47Å; L27-F147 VanDerWaalsContact CD1-CG 3.47Å; L27-F147 HydrophobicContact CD1-CZ 4.39Å; I143-F147 VanDerWaalsContact O-CB 3.27Å; I143-F147 WeakPolarHBondContact O-CB 3.44Å; I143-F147 PolarHBondContact O-N 2.7Å; I144-F147 PolarHBondContact O-N 3.21Å; I145-F147 VanDerWaalsContact C-N 3.32Å; I145-F147 PolarHBondContact O-N 3.32Å; F147-G150 PolarHBondContact O-N 3.38Å; F147-L151 HydrophobicContact CD1-CD1 3.94Å; F147-L151 HydrophobicContact CE1-CD1 3.43Å; F147-L151 VanDerWaalsContact CE1-CD1 3.43Å; F147-L151 HydrophobicContact CE1-CG 4.48Å; F147-L151 HydrophobicContact CE2-CD1 4.43Å; F147-L151 HydrophobicContact CZ-CD1 3.71Å; F147-L151 WeakPolarHBondContact O-CG 3.31Å; F147-L151 PolarHBondContact O-N 2.92Å
148V86.3Confident79.6Confident55 Ų5569.6 Ų69.633%0.33337%0.37SS..Hα-helixtrans-59.9-47.5174.5172.30000110.5L24 I144 I145 L151 T152L24-V148 HydrophobicContact CD1-CG2 4.41Å; L24-V148 HydrophobicContact CD2-CG2 3.44Å; L24-V148 VanDerWaalsContact CD2-CG2 3.44Å; I144-V148 HydrophobicContact CG2-CG2 4.26Å; I144-V148 WeakPolarHBondContact O-CB 3.43Å; I144-V148 VanDerWaalsContact O-CG2 3.22Å; I144-V148 WeakPolarHBondContact O-CG2 3.33Å; I144-V148 PolarHBondContact O-N 2.87Å; I145-V148 PolarHBondContact O-N 2.72Å; V148-L151 PolarHBondContact O-N 3.49Å; V148-T152 WeakPolarHBondContact O-CB 3.42Å; V148-T152 PolarHBondContact O-N 3.41Å; V148-T152 PolarHBondContact O-OG1 2.87Å
149L83.9Confident80.1Confident84 Ų8472.7 Ų72.744%0.4439%0.386SS..Hα-helixtrans-65.1-41.6176.7-72.7177.2000111I145 L151 T152 C153I145-L149 HydrophobicContact CG2-CD1 3.66Å; I145-L149 HydrophobicContact CG2-CG 4.09Å; I145-L149 VanDerWaalsContact O-CB 3.24Å; I145-L149 WeakPolarHBondContact O-CB 3.34Å; I145-L149 VanDerWaalsContact O-CG 3.22Å; I145-L149 WeakPolarHBondContact O-CG 3.36Å; I145-L149 PolarHBondContact O-N 2.9Å; L149-L151 PolarHBondContact O-N 2.91Å; L149-T152 PolarHBondContact O-N 3.36Å; L149-C153 WeakPolarHBondContact O-CA 3.22Å; L149-C153 WeakPolarHBondContact O-CB 3.24Å; L149-C153 PolarHBondContact O-N 3.49Å; L149-C153 PolarHBondContact O-SG 2.8Å
150G82.4Confident80.6Confident35 Ų3573 Ų7336%0.36138%0.381SS..Hα-helixtrans-59-35.6176.900000113L146 F147 P154L146-G150 WeakPolarHBondContact O-CA 3.35Å; L146-G150 PolarHBondContact O-N 3.45Å; F147-G150 PolarHBondContact O-N 3.38Å; G150-P154 WeakPolarHBondContact O-CD 3.12Å; G150-P154 WeakPolarHBondContact O-CG 3.22Å
151L81.4Confident80.8Confident22 Ų2275.2 Ų75.212%0.11539%0.39CS..Hα-helixtrans-84.3-33.5176-65.5177.6000113.4S20 F147 V148 L149S20-L151 WeakPolarHBondContact OG-CD1 3.42Å; F147-L151 HydrophobicContact CD1-CD1 3.94Å; F147-L151 HydrophobicContact CE1-CD1 3.43Å; F147-L151 VanDerWaalsContact CE1-CD1 3.43Å; F147-L151 HydrophobicContact CE1-CG 4.48Å; F147-L151 HydrophobicContact CE2-CD1 4.43Å; F147-L151 HydrophobicContact CZ-CD1 3.71Å; F147-L151 WeakPolarHBondContact O-CG 3.31Å; F147-L151 PolarHBondContact O-N 2.92Å; V148-L151 PolarHBondContact O-N 3.49Å; L149-L151 PolarHBondContact O-N 2.91Å
152T79.7Confident80.8Confident67 Ų6777.4 Ų77.441%0.41141%0.406SS..Hα-helixtrans-88.9-39.2-174-53.80000112.5V148 L149 R155 L156V148-T152 WeakPolarHBondContact O-CB 3.42Å; V148-T152 PolarHBondContact O-N 3.41Å; V148-T152 PolarHBondContact O-OG1 2.87Å; L149-T152 PolarHBondContact O-N 3.36Å; T152-R155 PolarHBondContact O-N 2.7Å; T152-R155 VanDerWaalsContact O-N 3.16Å; T152-L156 WeakPolarHBondContact O-CB 3.46Å; T152-L156 PolarHBondContact O-N 2.79Å
153C79.7Confident80.9Confident62 Ų6277.9 Ų77.942%0.41941%0.405SS..Hα-helixtrans-55.7-45.1-177.4-75.40000113.1L149 R155 L156 Y157L149-C153 WeakPolarHBondContact O-CA 3.22Å; L149-C153 WeakPolarHBondContact O-CB 3.24Å; L149-C153 PolarHBondContact O-N 3.49Å; L149-C153 PolarHBondContact O-SG 2.8Å; C153-R155 VanDerWaalsContact C-N 3.31Å; C153-R155 PolarHBondContact O-N 3.29Å; C153-L156 PolarHBondContact O-N 3.36Å; C153-Y157 WeakPolarHBondContact O-CB 3.27Å; C153-Y157 PolarHBondContact O-N 3.05Å
154P77Confident80.8Confident36 Ų3676.9 Ų76.923%0.23440%0.404CS..Hα-helixtrans-60.3-41.2178.3-22.533000112.4I8 G150 L158I8-P154 HydrophobicContact CG1-CG 3.98Å; G150-P154 WeakPolarHBondContact O-CD 3.12Å; G150-P154 WeakPolarHBondContact O-CG 3.22Å; P154-L158 VanDerWaalsContact O-CG 3.29Å; P154-L158 WeakPolarHBondContact O-CG 3.25Å; P154-L158 PolarHBondContact O-N 3.26Å
155R72.4Confident80.8Confident99 Ų9979 Ų7937%0.37442%0.415SS..Hα-helixtrans-72.5-45.4179-76.9-65.5-120-176-10.9112.7Y9 W10 T152 C153 Y157 L158 L159Y9-R155 WeakPolarHBondContact O-CD 3.48Å; Y9-R155 VanDerWaalsContact O-CZ 3.24Å; Y9-R155 PolarHBondContact O-NE 2.76Å; Y9-R155 PolarHBondContact O-NH1 3.36Å; W10-R155 HydrophobicContact CB-CG 3.87Å; W10-R155 VanDerWaalsContact CB-CZ 3.45Å; W10-R155 HydrophobicContact CG-CG 4.17Å; W10-R155 PolarHBondContact O-NH2 3.02Å; T152-R155 PolarHBondContact O-N 2.7Å; T152-R155 VanDerWaalsContact O-N 3.16Å; C153-R155 VanDerWaalsContact C-N 3.31Å; C153-R155 PolarHBondContact O-N 3.29Å; R155-Y157 VanDerWaalsContact C-N 3.27Å; R155-Y157 PolarHBondContact O-N 3.43Å; R155-L158 PolarHBondContact O-N 2.74Å; R155-L159 PolarHBondContact O-N 2.81Å
156L77.4Confident80.9Confident88 Ų8881 Ų8146%0.46142%0.423SS..Hα-helixtrans-62.2-40.1177-164.472.5000110.6T152 C153 L159 Y160T152-L156 WeakPolarHBondContact O-CB 3.46Å; T152-L156 PolarHBondContact O-N 2.79Å; C153-L156 PolarHBondContact O-N 3.36Å; L156-L159 PolarHBondContact O-N 3.15Å; L156-Y160 HydrophobicContact CD1-CD2 3.63Å; L156-Y160 HydrophobicContact CD1-CE2 3.66Å; L156-Y160 HydrophobicContact CG-CD2 4.06Å; L156-Y160 WeakPolarHBondContact O-CB 3.47Å; L156-Y160 WeakPolarHBondContact O-CD2 3.32Å; L156-Y160 PolarHBondContact O-N 2.81Å
157Y76.3Confident80.9Confident105 Ų10578.1 Ų78.141%0.41242%0.415SS..Hα-helixtrans-62.8-45.9175-177.6-94.4000111.9C153 R155 L159 Q161 C164 D165C153-Y157 WeakPolarHBondContact O-CB 3.27Å; C153-Y157 PolarHBondContact O-N 3.05Å; R155-Y157 VanDerWaalsContact C-N 3.27Å; R155-Y157 PolarHBondContact O-N 3.43Å; Y157-L159 VanDerWaalsContact C-N 3.33Å; Y157-L159 PolarHBondContact O-N 2.85Å; Y157-Q161 HydrophobicContact CE1-CG 3.96Å; Y157-Q161 WeakPolarHBondContact O-CA 3.32Å; Y157-Q161 VanDerWaalsContact O-CB 3.23Å; Y157-Q161 WeakPolarHBondContact O-CB 3.29Å; Y157-Q161 PolarHBondContact O-N 3.42Å; Y157-C164 HydrophobicContact CD2-CB 4.36Å; Y157-D165 PolarHBondContact OH-OD1 2.93Å
158L76.5Confident80.9Confident81 Ų8181.3 Ų81.342%0.42443%0.429SS..Hα-helixtrans-64.5-36.7178.1-73.6170.1000113Y9 P154 R155Y9-L158 HydrophobicContact CD1-CD1 3.73Å; Y9-L158 HydrophobicContact CE1-CD1 4.04Å; P154-L158 VanDerWaalsContact O-CG 3.29Å; P154-L158 WeakPolarHBondContact O-CG 3.25Å; P154-L158 PolarHBondContact O-N 3.26Å; R155-L158 PolarHBondContact O-N 2.74Å
159L79.7Confident81Confident127 Ų12785.8 Ų85.867%0.66544%0.444SS*.Hα-helixtrans-75.7-36.1-178.8-172.161000112.6R155 L156 Y157R155-L159 PolarHBondContact O-N 2.81Å; L156-L159 PolarHBondContact O-N 3.15Å; Y157-L159 VanDerWaalsContact C-N 3.33Å; Y157-L159 PolarHBondContact O-N 2.85Å
160Y80Confident81.3Confident97 Ų9787.3 Ų87.338%0.3845%0.451SS..Hα-helixtrans-112.919.5-175.6-64.8-76.9000113.3L156 P162 Q163 C164L156-Y160 HydrophobicContact CD1-CD2 3.63Å; L156-Y160 HydrophobicContact CD1-CE2 3.66Å; L156-Y160 HydrophobicContact CG-CD2 4.06Å; L156-Y160 WeakPolarHBondContact O-CB 3.47Å; L156-Y160 WeakPolarHBondContact O-CD2 3.32Å; L156-Y160 PolarHBondContact O-N 2.81Å; Y160-P162 VanDerWaalsContact C-CD 3.48Å; Y160-P162 VanDerWaalsContact O-N 3.15Å; Y160-Q163 WeakPolarHBondContact O-CA 3.24Å; Y160-Q163 WeakPolarHBondContact O-CB 3.28Å; Y160-Q163 PolarHBondContact O-N 3.48Å; Y160-C164 PolarHBondContact O-N 3.49Å
161Q77.8Confident81.7Confident82 Ų8289.9 Ų89.938%0.38346%0.459SS..Hα-helixtrans-43.9-52.3-174-167-179.2-31.200113.7Y157 Q163 C164 D165Y157-Q161 HydrophobicContact CE1-CG 3.96Å; Y157-Q161 WeakPolarHBondContact O-CA 3.32Å; Y157-Q161 VanDerWaalsContact O-CB 3.23Å; Y157-Q161 WeakPolarHBondContact O-CB 3.29Å; Y157-Q161 PolarHBondContact O-N 3.42Å; Q161-Q163 VanDerWaalsContact C-N 3.31Å; Q161-Q163 PolarHBondContact O-N 2.97Å; Q161-C164 PolarHBondContact O-N 3.11Å; Q161-D165 WeakPolarHBondContact O-CB 3.17Å; Q161-D165 PolarHBondContact O-N 3.39Å
162P81.5Confident82.2Confident98 Ų9896.9 Ų96.964%0.63648%0.484SS*.Hα-helixtrans-63.8-35.4-179.924.9-34.3000113.1Y160 E166Y160-P162 VanDerWaalsContact C-CD 3.48Å; Y160-P162 VanDerWaalsContact O-N 3.15Å; P162-E166 WeakPolarHBondContact O-CB 3.33Å; P162-E166 PolarHBondContact O-N 3.06Å; P162-E166 VanDerWaalsContact O-N 3.11Å
163Q82.8Confident82.8Confident121 Ų12197.2 Ų97.257%0.56549%0.486SS*.Hα-helixtrans-75.1-40.2-179.5-59.8175.922.700111.5Y160 Q161 A167Y160-Q163 WeakPolarHBondContact O-CA 3.24Å; Y160-Q163 WeakPolarHBondContact O-CB 3.28Å; Y160-Q163 PolarHBondContact O-N 3.48Å; Q161-Q163 VanDerWaalsContact C-N 3.31Å; Q161-Q163 PolarHBondContact O-N 2.97Å; Q163-A167 VanDerWaalsContact O-CB 3.29Å; Q163-A167 WeakPolarHBondContact O-CB 3.35Å; Q163-A167 PolarHBondContact O-N 2.93Å
164C80.4Confident83.4Confident47 Ų47100.5 Ų100.532%0.31849%0.493SS..Hα-helixtrans-64.4-44175.3-71.70000111.4Y157 Y160 Q161 A167 F168Y157-C164 HydrophobicContact CD2-CB 4.36Å; Y160-C164 PolarHBondContact O-N 3.49Å; Q161-C164 PolarHBondContact O-N 3.11Å; C164-A167 PolarHBondContact O-N 3.31Å; C164-F168 VanDerWaalsContact O-CB 3.25Å; C164-F168 WeakPolarHBondContact O-CB 3.4Å; C164-F168 PolarHBondContact O-N 3.43Å
165D85.3Confident84.2Confident73 Ų73102.4 Ų102.439%0.3950%0.504SS..Hα-helixtrans-65.2-41.6179-76.4-15.2000111.5Y157 Q161 F168 K169Y157-D165 PolarHBondContact OH-OD1 2.93Å; Q161-D165 WeakPolarHBondContact O-CB 3.17Å; Q161-D165 PolarHBondContact O-N 3.39Å; D165-F168 PolarHBondContact O-N 3.5Å; D165-K169 VanDerWaalsContact O-CB 3.24Å; D165-K169 WeakPolarHBondContact O-CB 3.46Å; D165-K169 PolarHBondContact O-N 3.25Å
166E86.4Confident85.2Confident135 Ų135100.3 Ų100.363%0.63150%0.502SS*.Hα-helixtrans-64.5-46.3175.6-173.3176-173.900111.9P162 F168 K169 M170P162-E166 WeakPolarHBondContact O-CB 3.33Å; P162-E166 PolarHBondContact O-N 3.06Å; P162-E166 VanDerWaalsContact O-N 3.11Å; E166-F168 PolarHBondContact O-N 2.92Å; E166-K169 PolarHBondContact O-N 3.31Å; E166-M170 PolarHBondContact O-N 2.93Å
167A85.5Confident86Confident55 Ų5599.4 Ų99.446%0.45550%0.497SS..Hα-helixtrans-61.3-44.9176.700000111.5Q163 C164 K169 M170 V171Q163-A167 VanDerWaalsContact O-CB 3.29Å; Q163-A167 WeakPolarHBondContact O-CB 3.35Å; Q163-A167 PolarHBondContact O-N 2.93Å; C164-A167 PolarHBondContact O-N 3.31Å; A167-K169 VanDerWaalsContact C-N 3.34Å; A167-K169 PolarHBondContact O-N 2.89Å; A167-M170 PolarHBondContact O-N 2.87Å; A167-V171 WeakPolarHBondContact O-CG2 3.41Å; A167-V171 PolarHBondContact O-N 3.03Å
168F86Confident86.8Confident139 Ų13999.3 Ų99.361%0.6150%0.503SS*.Hα-helixtrans-64.5-40.2178.4-170.3-97.5000111.7C164 D165 E166 V171 R172C164-F168 VanDerWaalsContact O-CB 3.25Å; C164-F168 WeakPolarHBondContact O-CB 3.4Å; C164-F168 PolarHBondContact O-N 3.43Å; D165-F168 PolarHBondContact O-N 3.5Å; E166-F168 PolarHBondContact O-N 2.92Å; F168-V171 PolarHBondContact O-N 3.43Å; F168-R172 WeakPolarHBondContact O-CB 3Å; F168-R172 PolarHBondContact O-N 3.46Å
169K89.5Confident87.7Confident149 Ų149100.1 Ų100.165%0.64851%0.507SS*.Hα-helixtrans-61-44.9174.4-171.1178.3-177-179.30111D165 E166 A167 R172 T173D165-K169 VanDerWaalsContact O-CB 3.24Å; D165-K169 WeakPolarHBondContact O-CB 3.46Å; D165-K169 PolarHBondContact O-N 3.25Å; E166-K169 PolarHBondContact O-N 3.31Å; A167-K169 VanDerWaalsContact C-N 3.34Å; A167-K169 PolarHBondContact O-N 2.89Å; K169-R172 PolarHBondContact O-N 2.84Å; K169-T173 PolarHBondContact O-N 3.43Å; K169-T173 PolarHBondContact O-OG1 2.88Å; K169-T173 VanDerWaalsContact O-OG1 3.06Å
170M88.9Confident88.3Confident116 Ų11699.4 Ų99.457%0.57150%0.499SS*.Hα-helixtrans-60.9-47.1177-168.8-177.6-64.600111.6E166 A167 R172 T173 K174E166-M170 PolarHBondContact O-N 2.93Å; A167-M170 PolarHBondContact O-N 2.87Å; M170-R172 PolarHBondContact O-N 3.25Å; M170-T173 PolarHBondContact O-N 3.27Å; M170-K174 VanDerWaalsContact O-CG 3.31Å; M170-K174 WeakPolarHBondContact O-CG 3.4Å; M170-K174 PolarHBondContact O-N 3.41Å
171V91.9Very high88.9Confident88 Ų8899.2 Ų99.253%0.53350%0.503SS..Hα-helixtrans-59.7-46.8176.3172.30000110.9A167 F168 T173 K174 V175A167-V171 WeakPolarHBondContact O-CG2 3.41Å; A167-V171 PolarHBondContact O-N 3.03Å; F168-V171 PolarHBondContact O-N 3.43Å; V171-T173 VanDerWaalsContact C-N 3.33Å; V171-T173 PolarHBondContact O-N 3.45Å; V171-K174 PolarHBondContact O-N 2.82Å; V171-V175 HydrophobicContact CG1-CG2 4.25Å; V171-V175 WeakPolarHBondContact O-CG2 3.07Å; V171-V175 PolarHBondContact O-N 2.97Å
172R92Very high89.6Confident170 Ų17098.5 Ų98.564%0.64251%0.505SS*.Hα-helixtrans-60.9-41.9179.5-167-178.6-165.4174.15.4112F168 K169 M170 V175 T176F168-R172 WeakPolarHBondContact O-CB 3Å; F168-R172 PolarHBondContact O-N 3.46Å; K169-R172 PolarHBondContact O-N 2.84Å; M170-R172 PolarHBondContact O-N 3.25Å; R172-V175 PolarHBondContact O-N 2.72Å; R172-T176 WeakPolarHBondContact O-CB 3.07Å; R172-T176 PolarHBondContact O-N 3.42Å; R172-T176 PolarHBondContact O-OG1 3.27Å
173T92.7Very high90.1Very high73 Ų7399.7 Ų99.745%0.44850%0.502SS..Hα-helixtrans-61.4-48.1174.7-61.20000110.8K169 M170 V171 V175 T176 D177K169-T173 PolarHBondContact O-N 3.43Å; K169-T173 PolarHBondContact O-OG1 2.88Å; K169-T173 VanDerWaalsContact O-OG1 3.06Å; M170-T173 PolarHBondContact O-N 3.27Å; V171-T173 VanDerWaalsContact C-N 3.33Å; V171-T173 PolarHBondContact O-N 3.45Å; T173-V175 PolarHBondContact O-N 2.81Å; T173-T176 PolarHBondContact O-N 2.94Å; T173-D177 VanDerWaalsContact O-CG 3.26Å; T173-D177 PolarHBondContact O-N 3.28Å
174K92Very high90.5Very high132 Ų13297.9 Ų97.957%0.57450%0.499SS*.Hα-helixtrans-59.9-44.6177.5-65.7-67.4-176.5-175.20112.5M170 V171 T176 D177 I178M170-K174 VanDerWaalsContact O-CG 3.31Å; M170-K174 WeakPolarHBondContact O-CG 3.4Å; M170-K174 PolarHBondContact O-N 3.41Å; V171-K174 PolarHBondContact O-N 2.82Å; K174-T176 VanDerWaalsContact C-N 3.35Å; K174-D177 PolarHBondContact O-N 3.38Å; K174-I178 VanDerWaalsContact O-CG1 3.24Å; K174-I178 WeakPolarHBondContact O-CG1 3.23Å; K174-I178 PolarHBondContact O-N 3.16Å
175V93.6Very high90.9Very high75 Ų75101.9 Ų101.946%0.45551%0.511SS..Hα-helixtrans-62.5-43.8177171.70000110.7V171 R172 T173 D177 I178 L179V171-V175 HydrophobicContact CG1-CG2 4.25Å; V171-V175 WeakPolarHBondContact O-CG2 3.07Å; V171-V175 PolarHBondContact O-N 2.97Å; R172-V175 PolarHBondContact O-N 2.72Å; T173-V175 PolarHBondContact O-N 2.81Å; V175-D177 PolarHBondContact O-N 2.85Å; V175-I178 PolarHBondContact O-N 2.86Å; V175-L179 HydrophobicContact CG1-CD1 4.14Å; V175-L179 HydrophobicContact CG1-CG 4.44Å; V175-L179 WeakPolarHBondContact O-CG 3.32Å; V175-L179 PolarHBondContact O-N 3.34Å
176T93Very high91.1Very high56 Ų56103.4 Ų103.434%0.34452%0.518SS..Hα-helixtrans-64.8-39.8178.7-540000111.6R172 T173 K174 L179 K180R172-T176 WeakPolarHBondContact O-CB 3.07Å; R172-T176 PolarHBondContact O-N 3.42Å; R172-T176 PolarHBondContact O-OG1 3.27Å; T173-T176 PolarHBondContact O-N 2.94Å; K174-T176 VanDerWaalsContact C-N 3.35Å; T176-L179 PolarHBondContact O-N 3.39Å; T176-K180 WeakPolarHBondContact O-CG 3.45Å; T176-K180 PolarHBondContact O-N 3.5Å
177D94.3Very high91.2Very high68 Ų68103.7 Ų103.736%0.36452%0.519SS..Hα-helixtrans-65.8-40.8176.1-69-22.1000111.7T173 K174 V175 K180 I181T173-D177 VanDerWaalsContact O-CG 3.26Å; T173-D177 PolarHBondContact O-N 3.28Å; K174-D177 PolarHBondContact O-N 3.38Å; V175-D177 PolarHBondContact O-N 2.85Å; D177-K180 PolarHBondContact O-N 3.16Å; D177-I181 WeakPolarHBondContact O-CG1 3.28Å; D177-I181 PolarHBondContact O-N 3.46Å
178I93.8Very high91.3Very high103 Ų103109 Ų10953%0.52853%0.532SS..Hα-helixtrans-62.3-46173.9-67.4164.2000110.3K174 V175 K180 I181 V182K174-I178 VanDerWaalsContact O-CG1 3.24Å; K174-I178 WeakPolarHBondContact O-CG1 3.23Å; K174-I178 PolarHBondContact O-N 3.16Å; V175-I178 PolarHBondContact O-N 2.86Å; I178-K180 VanDerWaalsContact C-N 3.31Å; I178-K180 PolarHBondContact O-N 3.07Å; I178-I181 PolarHBondContact O-N 3.33Å; I178-I181 VanDerWaalsContact O-N 3.16Å; I178-V182 HydrophobicContact CG2-CG2 4.34Å; I178-V182 WeakPolarHBondContact O-CG2 3.45Å; I178-V182 PolarHBondContact O-N 3.24Å
179L93.9Very high91.1Very high99 Ų99108.9 Ų108.952%0.51854%0.537SS..Hα-helixtrans-58.6-42.7177.6-73.1174.9000111.5V175 T176 I181 V182 E183V175-L179 HydrophobicContact CG1-CD1 4.14Å; V175-L179 HydrophobicContact CG1-CG 4.44Å; V175-L179 WeakPolarHBondContact O-CG 3.32Å; V175-L179 PolarHBondContact O-N 3.34Å; T176-L179 PolarHBondContact O-N 3.39Å; L179-I181 PolarHBondContact O-N 3.23Å; L179-V182 PolarHBondContact O-N 2.79Å; L179-E183 WeakPolarHBondContact O-CB 3.39Å; L179-E183 WeakPolarHBondContact O-CG 3.38Å; L179-E183 PolarHBondContact O-N 2.97Å
180K93.3Very high90.8Very high111 Ų111112.9 Ų112.948%0.48355%0.548SS..Hα-helixtrans-63.2-40.3174.8-71.9171.8-178.5170.60113T176 D177 I178 V182 E183 T184T176-K180 WeakPolarHBondContact O-CG 3.45Å; T176-K180 PolarHBondContact O-N 3.5Å; D177-K180 PolarHBondContact O-N 3.16Å; I178-K180 VanDerWaalsContact C-N 3.31Å; I178-K180 PolarHBondContact O-N 3.07Å; K180-V182 VanDerWaalsContact C-N 3.29Å; K180-V182 PolarHBondContact O-N 3.36Å; K180-E183 PolarHBondContact O-N 3.29Å; K180-T184 WeakPolarHBondContact O-CB 3.36Å; K180-T184 VanDerWaalsContact O-CG2 3.3Å; K180-T184 WeakPolarHBondContact O-CG2 3.48Å; K180-T184 PolarHBondContact O-N 2.96Å; K180-T184 PolarHBondContact O-OG1 3.22Å
181I92.3Very high90Very high93 Ų93110.1 Ų110.148%0.47755%0.55SS..Hα-helixtrans-64.3-38.9175.5-68165.1000110.3D177 I178 L179 T184 K185D177-I181 WeakPolarHBondContact O-CG1 3.28Å; D177-I181 PolarHBondContact O-N 3.46Å; I178-I181 PolarHBondContact O-N 3.33Å; I178-I181 VanDerWaalsContact O-N 3.16Å; L179-I181 PolarHBondContact O-N 3.23Å; I181-T184 WeakPolarHBondContact CA-OG1 3.48Å; I181-T184 PolarHBondContact O-OG1 2.85Å; I181-K185 HydrophobicContact CG2-CD 4.22Å; I181-K185 WeakPolarHBondContact O-CB 3.42Å; I181-K185 VanDerWaalsContact O-CG 3.29Å; I181-K185 WeakPolarHBondContact O-CG 3.29Å; I181-K185 PolarHBondContact O-N 3.49Å
182V93.4Very high88.5Confident68 Ų68109.7 Ų109.741%0.41255%0.551SS.*Hα-helixtrans-67-46176.2172.50000110.5I178 L179 K180 K185 I186I178-V182 HydrophobicContact CG2-CG2 4.34Å; I178-V182 WeakPolarHBondContact O-CG2 3.45Å; I178-V182 PolarHBondContact O-N 3.24Å; L179-V182 PolarHBondContact O-N 2.79Å; K180-V182 VanDerWaalsContact C-N 3.29Å; K180-V182 PolarHBondContact O-N 3.36Å; V182-K185 PolarHBondContact O-N 3.26Å; V182-I186 HydrophobicContact CG1-CD1 3.72Å; V182-I186 HydrophobicContact CG1-CG1 4.34Å; V182-I186 WeakPolarHBondContact O-CB 3.11Å; V182-I186 VanDerWaalsContact O-CG1 3.3Å; V182-I186 WeakPolarHBondContact O-CG1 3.24Å; V182-I186 PolarHBondContact O-N 2.68Å
183E90.7Very high86.8Confident123 Ų123106.8 Ų106.858%0.57555%0.554SS**Hα-helixtrans-59.1-48.2176.4-75.5175.8159.400111.8L179 K180 K185 I186 E187L179-E183 WeakPolarHBondContact O-CB 3.39Å; L179-E183 WeakPolarHBondContact O-CG 3.38Å; L179-E183 PolarHBondContact O-N 2.97Å; K180-E183 PolarHBondContact O-N 3.29Å; E183-K185 VanDerWaalsContact C-N 3.31Å; E183-K185 PolarHBondContact O-N 3.02Å; E183-I186 PolarHBondContact O-N 3.07Å; E183-E187 WeakPolarHBondContact O-CB 3.33Å; E183-E187 PolarHBondContact O-N 2.92Å
184T91.1Very high85.1Confident83 Ų83113.5 Ų113.551%0.50958%0.577SS.*Hα-helixtrans-64.3-33.6177.552.20000112.7K180 I181 K188K180-T184 WeakPolarHBondContact O-CB 3.36Å; K180-T184 VanDerWaalsContact O-CG2 3.3Å; K180-T184 WeakPolarHBondContact O-CG2 3.48Å; K180-T184 PolarHBondContact O-N 2.96Å; K180-T184 PolarHBondContact O-OG1 3.22Å; I181-T184 WeakPolarHBondContact CA-OG1 3.48Å; I181-T184 PolarHBondContact O-OG1 2.85Å; T184-K188 VanDerWaalsContact O-CB 3.25Å; T184-K188 WeakPolarHBondContact O-CB 3.35Å; T184-K188 PolarHBondContact O-N 3.03Å
185K88.9Confident82.8Confident131 Ų131120.4 Ų120.457%0.5761%0.607SS**Hα-helixtrans-70-42.8172.4-77.7175.4-175-72.10112I181 V182 E183 E187 K188 L189I181-K185 HydrophobicContact CG2-CD 4.22Å; I181-K185 WeakPolarHBondContact O-CB 3.42Å; I181-K185 VanDerWaalsContact O-CG 3.29Å; I181-K185 WeakPolarHBondContact O-CG 3.29Å; I181-K185 PolarHBondContact O-N 3.49Å; V182-K185 PolarHBondContact O-N 3.26Å; E183-K185 VanDerWaalsContact C-N 3.31Å; E183-K185 PolarHBondContact O-N 3.02Å; K185-E187 VanDerWaalsContact C-N 3.33Å; K185-K188 PolarHBondContact O-N 3.05Å; K185-L189 WeakPolarHBondContact O-CB 3.34Å; K185-L189 WeakPolarHBondContact O-CG 3.26Å; K185-L189 PolarHBondContact O-N 3.39Å
186I89.7Confident82.3Confident105 Ų105122.7 Ų122.754%0.53861%0.614SS.*Hα-helixtrans-62.3-43.2175.6-71.7171.4000110V182 E183 L189 R190V182-I186 HydrophobicContact CG1-CD1 3.72Å; V182-I186 HydrophobicContact CG1-CG1 4.34Å; V182-I186 WeakPolarHBondContact O-CB 3.11Å; V182-I186 VanDerWaalsContact O-CG1 3.3Å; V182-I186 WeakPolarHBondContact O-CG1 3.24Å; V182-I186 PolarHBondContact O-N 2.68Å; E183-I186 PolarHBondContact O-N 3.07Å; I186-L189 PolarHBondContact O-N 3.04Å; I186-R190 WeakPolarHBondContact O-CB 3.43Å; I186-R190 PolarHBondContact O-N 3.42Å
187E88.9Confident81.7Confident140 Ų140126.2 Ų126.265%0.65463%0.629SS**Hα-helixtrans-64.8-43.2176.4-171.4177.6165.700111.6E183 K185 L189 R190 G191E183-E187 WeakPolarHBondContact O-CB 3.33Å; E183-E187 PolarHBondContact O-N 2.92Å; K185-E187 VanDerWaalsContact C-N 3.33Å; E187-L189 VanDerWaalsContact C-N 3.32Å; E187-L189 PolarHBondContact O-N 3.09Å; E187-R190 PolarHBondContact O-N 3.35Å; E187-G191 PolarHBondContact O-N 3.33Å
188K86.8Confident81Confident166 Ų166129.4 Ų129.472%0.72264%0.643SS**Hα-helixtrans-62.3-37.8174.3-173176.2-177.5177.90112.4T184 K185 S192T184-K188 VanDerWaalsContact O-CB 3.25Å; T184-K188 WeakPolarHBondContact O-CB 3.35Å; T184-K188 PolarHBondContact O-N 3.03Å; K185-K188 PolarHBondContact O-N 3.05Å; K188-S192 VanDerWaalsContact O-CB 3.25Å; K188-S192 WeakPolarHBondContact O-CB 3.44Å; K188-S192 PolarHBondContact O-N 2.84Å
189L82.5Confident80.3Confident138 Ų138130.9 Ų130.972%0.72365%0.65SS**Hα-helixtrans-71-38.4175-73.2173.7000112K185 I186 E187K185-L189 WeakPolarHBondContact O-CB 3.34Å; K185-L189 WeakPolarHBondContact O-CG 3.26Å; K185-L189 PolarHBondContact O-N 3.39Å; I186-L189 PolarHBondContact O-N 3.04Å; E187-L189 VanDerWaalsContact C-N 3.32Å; E187-L189 PolarHBondContact O-N 3.09Å
190R82.6Confident79.4Confident232 Ų232132.9 Ų132.988%0.87566%0.658SS**Hα-helixtrans-67.1-38.9175.7-168.1-179.4-155.7-175.26.2112.1I186 E187I186-R190 WeakPolarHBondContact O-CB 3.43Å; I186-R190 PolarHBondContact O-N 3.42Å; E187-R190 PolarHBondContact O-N 3.35Å
191G73.6Confident78.5Confident58 Ų58134.4 Ų134.460%0.59867%0.67SS**Hα-helixtrans-89.6-9.8-178.400000114.4E187 P193E187-G191 PolarHBondContact O-N 3.33Å; G191-P193 WeakPolarHBondContact O-CD 3.18Å; G191-P193 VanDerWaalsContact O-N 3.12Å
192S59.6Low77.5Confident80 Ų80137.4 Ų137.456%0.55968%0.684SS**SBendtrans-69.9106.7173.7-173.50000108.2K188 K194K188-S192 VanDerWaalsContact O-CB 3.25Å; K188-S192 WeakPolarHBondContact O-CB 3.44Å; K188-S192 PolarHBondContact O-N 2.84Å; S192-K194 PolarHBondContact O-N 2.73Å
193P56Low76.3Confident109 Ų109142.7 Ų142.771%0.70871%0.705SS**  trans-63.4134.6177.229.2-32.4000107.9G191 K195G191-P193 WeakPolarHBondContact O-CD 3.18Å; G191-P193 VanDerWaalsContact O-N 3.12Å; P193-K195 PolarHBondContact O-N 2.78Å
194K56.8Low75.1Confident214 Ų214144.3 Ų144.393%0.9372%0.716SS**  trans-49.8112.7166.8-77.8-179.9172.9-1790107.7S192S192-K194 PolarHBondContact O-N 2.73Å
195K44.6Very low73.6Confident276 Ų276149.9 Ų149.9100%1.273%0.734SS**  trans-71.40156.9-108.8-172.9176.1-173.20108.8P193P193-K195 PolarHBondContact O-N 2.78Å

Retrieved 195 of 195 residues in 148.3 ms (Link to these results)