A0A5K4FDX5_SCHMA Loading...

Snf7-like protein (Bc-2) (Putative breast adenocarcinoma marker)

AlphaFold DB , UniProt , Accession A0A5K4FDX5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 237 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
1M39.4Very low63.3Low226 Ų226144.7 Ų144.7100%1.11377%0.774SS**  060.70-72.7-70.8-99.900110.3
2S48.3Very low65Low119 Ų119145.5 Ų145.583%0.83277%0.769SS**  trans-13117.9-172.6340000113.7
3F57.7Low66.6Low210 Ų210141.9 Ų141.992%0.92175%0.746SS**SBendtrans-112.811-178.2-145.2-97.9000114.2
4L52.9Low68Low152 Ų152138.9 Ų138.980%0.79673%0.726SS**  trans-107.65.2-172.7-106.9147.2000114.9
5F64.6Low69.2Low201 Ų201132.5 Ų132.588%0.88269%0.692SS**SBendtrans-99.981.6163.1-69.1-81.6000107.1A7F5-A7 PolarHBondContact O-N 3.39Å
6G60.9Low70.5Confident68 Ų68134 Ų13470%0.70169%0.686SS**  trans-49.7115.7166.700000107.3R8G6-R8 PolarHBondContact O-N 2.65Å
7A62.1Low71.7Confident96 Ų96129.5 Ų129.579%0.79366%0.663SS**  trans-54.7110.6-176.300000107.5F5 K9F5-A7 PolarHBondContact O-N 3.39Å; A7-K9 PolarHBondContact O-N 2.79Å
8R71Confident72.6Confident238 Ų238125.1 Ų125.190%0.89865%0.646SS**PPolyproline II helixtrans-55.5120.6169.7-71.3-174.7-175178.71.2105.3G6 T10G6-R8 PolarHBondContact O-N 2.65Å; R8-T10 PolarHBondContact O-N 3.17Å
9K74.6Confident73.7Confident108 Ų108126.2 Ų126.247%0.4765%0.645SS.*PPolyproline II helixtrans-46130.6177.9-70.8176.5-179.8171.70108.1A7 E13 Q14 D17A7-K9 PolarHBondContact O-N 2.79Å; K9-E13 HydrophobicContact CB-CB 4.18Å; K9-Q14 HydrophobicContact CB-CG 3.5Å; K9-Q14 VanDerWaalsContact CB-CG 3.5Å; K9-Q14 HydrophobicContact CD-CG 4.38Å; K9-Q14 PolarHBondContact O-NE2 3.02Å; K9-D17 IonicContact NZ-OD2 3.36Å; K9-D17 PolarHBondContact NZ-OD2 3.12Å
10T84.6Confident74.7Confident68 Ų68127.2 Ų127.242%0.41764%0.641SS.*PPolyproline II helixtrans-58.2152.6174.661.50000109.3R8 E12 E13 Q14R8-T10 PolarHBondContact O-N 3.17Å; T10-E12 PolarHBondContact O-N 3.37Å; T10-E12 VanDerWaalsContact O-N 3.09Å; T10-E13 PolarHBondContact N-OE2 3.07Å; T10-E13 WeakPolarHBondContact O-CA 3.43Å; T10-E13 WeakPolarHBondContact O-CB 3.48Å; T10-E13 PolarHBondContact O-N 3.29Å; T10-E13 WeakPolarHBondContact OG1-CB 3.36Å; T10-E13 WeakPolarHBondContact OG1-CG 3.4Å; T10-E13 PolarHBondContact OG1-N 3.26Å; T10-E13 PolarHBondContact OG1-OE2 3.48Å; T10-Q14 WeakPolarHBondContact O-CG 3.31Å; T10-Q14 PolarHBondContact O-N 3Å
11P79.9Confident75.6Confident106 Ų106124 Ų12469%0.68863%0.628SS**Hα-helixtrans-53-34.6178.6-28.235.5000113L15P11-L15 WeakPolarHBondContact O-CB 3.5Å; P11-L15 PolarHBondContact O-N 3.24Å
12E84.1Confident78.2Confident154 Ų154114.3 Ų114.372%0.7258%0.581SS**Hα-helixtrans-68.8-41.5175.2-62.8-169.9166.300112.9T10 L15 R16T10-E12 PolarHBondContact O-N 3.37Å; T10-E12 VanDerWaalsContact O-N 3.09Å; E12-L15 PolarHBondContact O-N 2.99Å; E12-R16 VanDerWaalsContact O-CG 3.29Å; E12-R16 WeakPolarHBondContact O-CG 3.24Å; E12-R16 PolarHBondContact O-N 3.07Å
13E86.3Confident80.5Confident99 Ų99110.5 Ų110.546%0.46356%0.556SS.*Hα-helixtrans-65.2-41.4174.4-76.1169.215800112K9 T10 L15 R16 D17K9-E13 HydrophobicContact CB-CB 4.18Å; T10-E13 PolarHBondContact N-OE2 3.07Å; T10-E13 WeakPolarHBondContact O-CA 3.43Å; T10-E13 WeakPolarHBondContact O-CB 3.48Å; T10-E13 PolarHBondContact O-N 3.29Å; T10-E13 WeakPolarHBondContact OG1-CB 3.36Å; T10-E13 WeakPolarHBondContact OG1-CG 3.4Å; T10-E13 PolarHBondContact OG1-N 3.26Å; T10-E13 PolarHBondContact OG1-OE2 3.48Å; E13-L15 VanDerWaalsContact C-N 3.34Å; E13-L15 PolarHBondContact O-N 2.98Å; E13-R16 PolarHBondContact O-N 3.24Å; E13-D17 WeakPolarHBondContact O-CB 3.45Å; E13-D17 PolarHBondContact O-N 3.48Å
14Q86.1Confident82.3Confident100 Ų100105.8 Ų105.847%0.46753%0.532SS..Hα-helixtrans-58.2-48.2174.2-66.8-179.312.300110.4K9 T10 R16 D17 S18K9-Q14 HydrophobicContact CB-CG 3.5Å; K9-Q14 VanDerWaalsContact CB-CG 3.5Å; K9-Q14 HydrophobicContact CD-CG 4.38Å; K9-Q14 PolarHBondContact O-NE2 3.02Å; T10-Q14 WeakPolarHBondContact O-CG 3.31Å; T10-Q14 PolarHBondContact O-N 3Å; Q14-R16 VanDerWaalsContact C-N 3.35Å; Q14-R16 PolarHBondContact O-N 3.19Å; Q14-D17 PolarHBondContact O-N 3.12Å; Q14-S18 PolarHBondContact O-N 3.22Å; Q14-S18 PolarHBondContact O-OG 2.97Å; Q14-S18 VanDerWaalsContact O-OG 3.05Å
15L86.2Confident84.4Confident42 Ų42100.6 Ų100.622%0.2251%0.507CS..Hα-helixtrans-63.1-39178.8-170.4125.1000112.8P11 E12 E13 K19 I90 K94P11-L15 WeakPolarHBondContact O-CB 3.5Å; P11-L15 PolarHBondContact O-N 3.24Å; E12-L15 PolarHBondContact O-N 2.99Å; E13-L15 VanDerWaalsContact C-N 3.34Å; E13-L15 PolarHBondContact O-N 2.98Å; L15-K19 WeakPolarHBondContact O-CB 3.43Å; L15-K19 PolarHBondContact O-N 3.07Å; L15-I90 HydrophobicContact CD1-CG2 3.67Å; L15-I90 HydrophobicContact CG-CG2 3.8Å; L15-K94 HydrophobicContact CD1-CB 3.78Å; L15-K94 HydrophobicContact CD1-CG 4.31Å; L15-K94 HydrophobicContact CD2-CB 4.08Å; L15-K94 HydrophobicContact CD2-CD 3.71Å; L15-K94 HydrophobicContact CD2-CG 3.9Å
16R89Confident85.9Confident157 Ų15792.4 Ų92.459%0.59247%0.472SS*.Hα-helixtrans-65.3-40.3174.8-72.4175.883.9-166.37.5111.7E12 E13 Q14 R20E12-R16 VanDerWaalsContact O-CG 3.29Å; E12-R16 WeakPolarHBondContact O-CG 3.24Å; E12-R16 PolarHBondContact O-N 3.07Å; E13-R16 PolarHBondContact O-N 3.24Å; Q14-R16 VanDerWaalsContact C-N 3.35Å; Q14-R16 PolarHBondContact O-N 3.19Å; R16-R20 WeakPolarHBondContact O-CG 3.37Å; R16-R20 PolarHBondContact O-N 3.48Å; R16-R20 VanDerWaalsContact O-N 3.17Å
17D91.1Very high87.6Confident57 Ų5796.5 Ų96.531%0.30547%0.466SS..Hα-helixtrans-68.2-46.8178-165.938.1000111.5K9 E13 Q14 K19 R20 T21K9-D17 IonicContact NZ-OD2 3.36Å; K9-D17 PolarHBondContact NZ-OD2 3.12Å; E13-D17 WeakPolarHBondContact O-CB 3.45Å; E13-D17 PolarHBondContact O-N 3.48Å; Q14-D17 PolarHBondContact O-N 3.12Å; D17-K19 VanDerWaalsContact C-N 3.33Å; D17-K19 PolarHBondContact O-N 3.26Å; D17-R20 WeakPolarHBondContact O-CB 3.27Å; D17-R20 PolarHBondContact O-N 3.34Å; D17-T21 PolarHBondContact O-N 3.48Å; D17-T21 PolarHBondContact O-OG1 3.49Å
18S89Confident89.3Confident50 Ų5096.6 Ų96.635%0.3545%0.45SS..Hα-helixtrans-56.9-44.4174.4-58.50000111.9Q14 R20 T21 I22Q14-S18 PolarHBondContact O-N 3.22Å; Q14-S18 PolarHBondContact O-OG 2.97Å; Q14-S18 VanDerWaalsContact O-OG 3.05Å; S18-R20 VanDerWaalsContact C-N 3.32Å; S18-R20 PolarHBondContact O-N 2.9Å; S18-T21 PolarHBondContact O-N 3.38Å; S18-I22 WeakPolarHBondContact O-CB 3.45Å; S18-I22 WeakPolarHBondContact O-CG1 3.47Å; S18-I22 PolarHBondContact O-N 3.29Å
19K92Very high90.6Very high146 Ų14685.5 Ų85.564%0.63541%0.409SS*.Hα-helixtrans-60.1-40.6175.7-176.3176.8178.6176.90112.1L15 D17 A23L15-K19 WeakPolarHBondContact O-CB 3.43Å; L15-K19 PolarHBondContact O-N 3.07Å; D17-K19 VanDerWaalsContact C-N 3.33Å; D17-K19 PolarHBondContact O-N 3.26Å; K19-A23 WeakPolarHBondContact O-CB 3.45Å; K19-A23 PolarHBondContact O-N 3.27Å
20R94.1Very high91.7Very high146 Ų14685.3 Ų85.355%0.55141%0.41SS*.Hα-helixtrans-68.4-42.5178.2-74.2172.5174.6-177.9-2.2111.8R16 D17 S18 A23 R24R16-R20 WeakPolarHBondContact O-CG 3.37Å; R16-R20 PolarHBondContact O-N 3.48Å; R16-R20 VanDerWaalsContact O-N 3.17Å; D17-R20 WeakPolarHBondContact O-CB 3.27Å; D17-R20 PolarHBondContact O-N 3.34Å; S18-R20 VanDerWaalsContact C-N 3.32Å; S18-R20 PolarHBondContact O-N 2.9Å; R20-A23 PolarHBondContact O-N 2.96Å; R20-R24 PolarHBondContact O-N 3.45Å
21T94.2Very high92.3Very high62 Ų6290.3 Ų90.338%0.3842%0.421SS..Hα-helixtrans-63.8-48.1177.4-64.80000110.7D17 S18 A23 R24 T25D17-T21 PolarHBondContact O-N 3.48Å; D17-T21 PolarHBondContact O-OG1 3.49Å; S18-T21 PolarHBondContact O-N 3.38Å; T21-A23 VanDerWaalsContact C-N 3.33Å; T21-A23 PolarHBondContact O-N 3.33Å; T21-R24 WeakPolarHBondContact O-CB 3.47Å; T21-R24 PolarHBondContact O-N 3.08Å; T21-R24 PolarHBondContact OG1-NH2 3.45Å; T21-R24 VanDerWaalsContact OG1-NH2 3.15Å; T21-T25 PolarHBondContact O-N 3.08Å; T21-T25 PolarHBondContact O-OG1 3.11Å
22I94.2Very high93.1Very high22 Ų2289.7 Ų89.711%0.11341%0.409CS..Hα-helixtrans-54.9-47.4174-75169.6000111.9S18 R24 T25 L26 I83 I90S18-I22 WeakPolarHBondContact O-CB 3.45Å; S18-I22 WeakPolarHBondContact O-CG1 3.47Å; S18-I22 PolarHBondContact O-N 3.29Å; I22-R24 VanDerWaalsContact C-N 3.27Å; I22-R24 PolarHBondContact O-N 2.92Å; I22-T25 PolarHBondContact O-N 3.35Å; I22-L26 HydrophobicContact CG2-CD1 3.94Å; I22-L26 HydrophobicContact CG2-CG 4.4Å; I22-L26 WeakPolarHBondContact O-CB 3.35Å; I22-L26 WeakPolarHBondContact O-CG 3.23Å; I22-L26 PolarHBondContact O-N 3.33Å; I22-I83 HydrophobicContact CB-CG2 4.38Å; I22-I83 HydrophobicContact CG1-CG2 4.38Å; I22-I83 HydrophobicContact CG2-CG2 3.69Å; I22-I90 HydrophobicContact CD1-CD1 3.43Å; I22-I90 VanDerWaalsContact CD1-CD1 3.43Å
23A95.4Very high93.8Very high38 Ų3884.9 Ų84.931%0.31439%0.385SS..Hα-helixtrans-64-31.7179.400000113.1K19 R20 T21 R27K19-A23 WeakPolarHBondContact O-CB 3.45Å; K19-A23 PolarHBondContact O-N 3.27Å; R20-A23 PolarHBondContact O-N 2.96Å; T21-A23 VanDerWaalsContact C-N 3.33Å; T21-A23 PolarHBondContact O-N 3.33Å; A23-R27 WeakPolarHBondContact O-CD 3.46Å; A23-R27 WeakPolarHBondContact O-CG 3.49Å
24R97Very high94.3Very high112 Ų11281 Ų8142%0.42337%0.372SS..Hα-helixtrans-70.3-50.1172.4-77.6-177.8-72.4-109.4-0.5111R20 T21 I22 L26 R27 E28R20-R24 PolarHBondContact O-N 3.45Å; T21-R24 WeakPolarHBondContact O-CB 3.47Å; T21-R24 PolarHBondContact O-N 3.08Å; T21-R24 PolarHBondContact OG1-NH2 3.45Å; T21-R24 VanDerWaalsContact OG1-NH2 3.15Å; I22-R24 VanDerWaalsContact C-N 3.27Å; I22-R24 PolarHBondContact O-N 2.92Å; R24-L26 VanDerWaalsContact C-N 3.31Å; R24-L26 PolarHBondContact O-N 2.88Å; R24-R27 WeakPolarHBondContact O-CB 3.39Å; R24-R27 PolarHBondContact O-N 3.29Å; R24-E28 PolarHBondContact O-N 3.43Å
25T95.7Very high94.9Very high42 Ų4281.8 Ų81.826%0.25838%0.375SS..Hα-helixtrans-61.1-38.9-178.9-49.30000112.1T21 I22 R27 E28 I29 I83T21-T25 PolarHBondContact O-N 3.08Å; T21-T25 PolarHBondContact O-OG1 3.11Å; I22-T25 PolarHBondContact O-N 3.35Å; T25-R27 VanDerWaalsContact C-N 3.33Å; T25-R27 PolarHBondContact O-N 3.44Å; T25-E28 PolarHBondContact O-N 3.22Å; T25-I29 HydrophobicContact CG2-CD1 4.03Å; T25-I29 HydrophobicContact CG2-CG1 4.49Å; T25-I29 WeakPolarHBondContact O-CB 3.4Å; T25-I29 WeakPolarHBondContact O-CG1 3.02Å; T25-I29 PolarHBondContact O-N 2.91Å; T25-I83 HydrophobicContact CG2-CD1 3.35Å
26L96.3Very high95.5Very high30 Ų3080.9 Ų80.916%0.15737%0.371CS..Hα-helixtrans-58.5-43.5173.4-75.7170.3000112.1I22 R24 E30 I83I22-L26 HydrophobicContact CG2-CD1 3.94Å; I22-L26 HydrophobicContact CG2-CG 4.4Å; I22-L26 WeakPolarHBondContact O-CB 3.35Å; I22-L26 WeakPolarHBondContact O-CG 3.23Å; I22-L26 PolarHBondContact O-N 3.33Å; R24-L26 VanDerWaalsContact C-N 3.31Å; R24-L26 PolarHBondContact O-N 2.88Å; L26-E30 WeakPolarHBondContact O-CG 3.41Å; L26-E30 PolarHBondContact O-N 3.21Å; L26-I83 HydrophobicContact CD1-CG2 4.33Å; L26-I83 HydrophobicContact CD2-CB 3.99Å; L26-I83 HydrophobicContact CD2-CG2 3.7Å; L26-I83 HydrophobicContact CG-CG2 3.68Å
27R97.6Very high95.9Very high154 Ų15477.6 Ų77.658%0.58136%0.362SS*.Hα-helixtrans-69-36.7178.3-68.2170-175.2172.70.5112.4A23 R24 T25 R31A23-R27 WeakPolarHBondContact O-CD 3.46Å; A23-R27 WeakPolarHBondContact O-CG 3.49Å; R24-R27 WeakPolarHBondContact O-CB 3.39Å; R24-R27 PolarHBondContact O-N 3.29Å; T25-R27 VanDerWaalsContact C-N 3.33Å; T25-R27 PolarHBondContact O-N 3.44Å; R27-R31 WeakPolarHBondContact O-CB 3.31Å; R27-R31 WeakPolarHBondContact O-CD 3.34Å; R27-R31 WeakPolarHBondContact O-CG 3.35Å; R27-R31 PolarHBondContact O-N 3.24Å
28E97.5Very high96.3Very high97 Ų9783.6 Ų83.645%0.45338%0.38SS..Hα-helixtrans-65-48.7176.4-73.8162.5-169.600110.3R24 T25 E30 R31 E32R24-E28 PolarHBondContact O-N 3.43Å; T25-E28 PolarHBondContact O-N 3.22Å; E28-E30 PolarHBondContact O-N 3.45Å; E28-R31 WeakPolarHBondContact O-CB 3.34Å; E28-R31 PolarHBondContact O-N 3.16Å; E28-R31 VanDerWaalsContact O-N 3.13Å; E28-E32 WeakPolarHBondContact O-CG 3.44Å; E28-E32 PolarHBondContact O-N 3.4Å
29I97.1Very high96.7Very high5 Ų584.8 Ų84.83%0.02638%0.381CS..Hα-helixtrans-56.7-46.3174.5-74.6168.9000111.8T25 R31 E32 K33 F76 M79 H80 I83T25-I29 HydrophobicContact CG2-CD1 4.03Å; T25-I29 HydrophobicContact CG2-CG1 4.49Å; T25-I29 WeakPolarHBondContact O-CB 3.4Å; T25-I29 WeakPolarHBondContact O-CG1 3.02Å; T25-I29 PolarHBondContact O-N 2.91Å; I29-R31 VanDerWaalsContact C-N 3.32Å; I29-R31 PolarHBondContact O-N 3.3Å; I29-E32 PolarHBondContact O-N 3.46Å; I29-K33 WeakPolarHBondContact O-CB 3.49Å; I29-K33 PolarHBondContact O-N 3.03Å; I29-F76 HydrophobicContact CB-CD1 4.32Å; I29-F76 HydrophobicContact CG1-CD1 4.21Å; I29-F76 HydrophobicContact CG2-CB 4.39Å; I29-F76 HydrophobicContact CG2-CD1 3.97Å; I29-F76 WeakPolarHBondContact CG2-O 2.99Å; I29-M79 HydrophobicContact CD1-CB 3.93Å; I29-M79 HydrophobicContact CD1-CE 4.08Å; I29-M79 HydrophobicContact CG1-CE 4.31Å; I29-H80 HydrophobicContact CG2-CB 3.86Å; I29-I83 HydrophobicContact CD1-CD1 3.43Å; I29-I83 VanDerWaalsContact CD1-CD1 3.43Å
30E97.6Very high96.9Very high105 Ų10582.5 Ų82.549%0.49137%0.368SS..Hα-helixtrans-63.4-38.7178.4-76.4172.8-174.900112.2L26 E28 G34 H80L26-E30 WeakPolarHBondContact O-CG 3.41Å; L26-E30 PolarHBondContact O-N 3.21Å; E28-E30 PolarHBondContact O-N 3.45Å; E30-G34 PolarHBondContact O-N 3.36Å; E30-H80 IonicContact OE1-CD2 2.75Å; E30-H80 IonicContact OE1-CE1 3.46Å; E30-H80 IonicContact OE1-NE2 3.49Å; E30-H80 PolarHBondContact OE1-NE2 2.95Å
31R98.3Very high97.1Very high172 Ų17279.3 Ų79.365%0.64937%0.365SS*.Hα-helixtrans-67.3-42.5176.6-74.5168.2-177.8-170.2-0.5112.2R27 E28 I29 G34 Q35R27-R31 WeakPolarHBondContact O-CB 3.31Å; R27-R31 WeakPolarHBondContact O-CD 3.34Å; R27-R31 WeakPolarHBondContact O-CG 3.35Å; R27-R31 PolarHBondContact O-N 3.24Å; E28-R31 WeakPolarHBondContact O-CB 3.34Å; E28-R31 PolarHBondContact O-N 3.16Å; E28-R31 VanDerWaalsContact O-N 3.13Å; I29-R31 VanDerWaalsContact C-N 3.32Å; I29-R31 PolarHBondContact O-N 3.3Å; R31-G34 PolarHBondContact O-N 2.95Å; R31-Q35 WeakPolarHBondContact O-CG 3.45Å; R31-Q35 PolarHBondContact O-N 3.34Å; R31-Q35 VanDerWaalsContact O-N 3.13Å; R31-Q35 PolarHBondContact O-NE2 3.09Å
32E97.3Very high97.3Very high93 Ų9384.3 Ų84.344%0.43538%0.377SS..Hα-helixtrans-68.9-46.1178.9-72.7178.1-176.100110.9E28 I29 G34 Q35 L36 F76E28-E32 WeakPolarHBondContact O-CG 3.44Å; E28-E32 PolarHBondContact O-N 3.4Å; I29-E32 PolarHBondContact O-N 3.46Å; E32-G34 VanDerWaalsContact C-N 3.31Å; E32-G34 PolarHBondContact O-N 3.29Å; E32-Q35 WeakPolarHBondContact O-CB 3.34Å; E32-Q35 PolarHBondContact O-N 3Å; E32-L36 PolarHBondContact O-N 3.2Å; E32-F76 HydrophobicContact CB-CD1 4.39Å; E32-F76 HydrophobicContact CB-CE1 3.77Å; E32-F76 HydrophobicContact CB-CE2 4.45Å; E32-F76 HydrophobicContact CB-CZ 3.8Å; E32-F76 WeakPolarHBondContact OE2-CE1 3.48Å; E32-F76 WeakPolarHBondContact OE2-CZ 3.42Å
33K97.5Very high97.4Very high53 Ų5383.4 Ų83.423%0.2337%0.372CS..Hα-helixtrans-54.8-47.2171.6-179.7178.5166.3178.80111.6I29 Q35 L36 E37 I73 F76 S77I29-K33 WeakPolarHBondContact O-CB 3.49Å; I29-K33 PolarHBondContact O-N 3.03Å; K33-Q35 PolarHBondContact O-N 3.29Å; K33-L36 PolarHBondContact O-N 3.46Å; K33-L36 VanDerWaalsContact O-N 3.16Å; K33-E37 WeakPolarHBondContact CE-OE1 3.42Å; K33-E37 HydrophobicContact CG-CG 4.49Å; K33-E37 IonicContact NZ-OE1 3.91Å; K33-E37 WeakPolarHBondContact O-CG 3.32Å; K33-E37 PolarHBondContact O-N 2.75Å; K33-I73 HydrophobicContact CG-CG2 4.39Å; K33-F76 HydrophobicContact CB-CB 4.07Å; K33-F76 HydrophobicContact CB-CG 4.5Å; K33-F76 HydrophobicContact CG-CB 4.47Å; K33-S77 PolarHBondContact NZ-OG 3Å
34G98Very high97.5Very high17 Ų1782 Ų8218%0.17536%0.36CS..Hα-helixtrans-65.9-21.9178.800000114.2E30 R31 E32 R38E30-G34 PolarHBondContact O-N 3.36Å; R31-G34 PolarHBondContact O-N 2.95Å; E32-G34 VanDerWaalsContact C-N 3.31Å; E32-G34 PolarHBondContact O-N 3.29Å; G34-R38 WeakPolarHBondContact O-CG 3.48Å; G34-R38 PolarHBondContact O-NE 3.45Å; G34-R38 VanDerWaalsContact O-NE 3.16Å
35Q98.2Very high97.4Very high117 Ų11780.8 Ų80.855%0.54736%0.361SS..Hα-helixtrans-76.7-45170.5-73.2170.156.400110.9R31 E32 K33 E37 R38 E39R31-Q35 WeakPolarHBondContact O-CG 3.45Å; R31-Q35 PolarHBondContact O-N 3.34Å; R31-Q35 VanDerWaalsContact O-N 3.13Å; R31-Q35 PolarHBondContact O-NE2 3.09Å; E32-Q35 WeakPolarHBondContact O-CB 3.34Å; E32-Q35 PolarHBondContact O-N 3Å; K33-Q35 PolarHBondContact O-N 3.29Å; Q35-E37 VanDerWaalsContact C-N 3.31Å; Q35-E37 PolarHBondContact O-N 3.18Å; Q35-R38 WeakPolarHBondContact O-CB 3.37Å; Q35-R38 PolarHBondContact O-N 3.19Å; Q35-R38 VanDerWaalsContact O-N 3.15Å; Q35-E39 PolarHBondContact O-N 3Å
36L97.9Very high97.5Very high24 Ų2481.4 Ų81.413%0.12636%0.361CS..Hα-helixtrans-61.5-37.5176.2-69.9169.4000112.4E32 K33 R38 E39 R40 T69 I73 F76E32-L36 PolarHBondContact O-N 3.2Å; K33-L36 PolarHBondContact O-N 3.46Å; K33-L36 VanDerWaalsContact O-N 3.16Å; L36-R38 VanDerWaalsContact C-N 3.31Å; L36-R38 PolarHBondContact O-N 3.47Å; L36-E39 PolarHBondContact O-N 3.2Å; L36-R40 VanDerWaalsContact O-CB 3.3Å; L36-R40 WeakPolarHBondContact O-CB 3.11Å; L36-R40 PolarHBondContact O-N 2.86Å; L36-T69 HydrophobicContact CB-CG2 4.33Å; L36-T69 HydrophobicContact CD2-CG2 4.28Å; L36-T69 WeakPolarHBondContact O-CG2 3.38Å; L36-I73 HydrophobicContact CB-CD1 4.2Å; L36-I73 HydrophobicContact CB-CG1 3.65Å; L36-I73 HydrophobicContact CD1-CG1 4.43Å; L36-F76 HydrophobicContact CD1-CD2 3.41Å; L36-F76 VanDerWaalsContact CD1-CD2 3.41Å; L36-F76 HydrophobicContact CD1-CE2 3.46Å; L36-F76 VanDerWaalsContact CD1-CE2 3.46Å
37E98.1Very high97.5Very high87 Ų8780 Ų8041%0.40735%0.354SS..Hα-helixtrans-64-34.5175.8-74.2174.4171.100112.8K33 Q35 R40 T41 I73K33-E37 WeakPolarHBondContact CE-OE1 3.42Å; K33-E37 HydrophobicContact CG-CG 4.49Å; K33-E37 IonicContact NZ-OE1 3.91Å; K33-E37 WeakPolarHBondContact O-CG 3.32Å; K33-E37 PolarHBondContact O-N 2.75Å; Q35-E37 VanDerWaalsContact C-N 3.31Å; Q35-E37 PolarHBondContact O-N 3.18Å; E37-R40 WeakPolarHBondContact O-CB 3.39Å; E37-T41 PolarHBondContact O-N 3.4Å; E37-T41 PolarHBondContact O-OG1 3.41Å; E37-I73 HydrophobicContact CG-CD1 3.98Å; E37-I73 HydrophobicContact CG-CG1 4.36Å; E37-I73 HydrophobicContact CG-CG2 4.47Å
38R98.4Very high97.3Very high183 Ų18377.8 Ų77.869%0.69135%0.346SS*.Hα-helixtrans-70.6-43.4172.9-66.3175.6-138180-0.4111G34 Q35 L36 R40 T41 R42G34-R38 WeakPolarHBondContact O-CG 3.48Å; G34-R38 PolarHBondContact O-NE 3.45Å; G34-R38 VanDerWaalsContact O-NE 3.16Å; Q35-R38 WeakPolarHBondContact O-CB 3.37Å; Q35-R38 PolarHBondContact O-N 3.19Å; Q35-R38 VanDerWaalsContact O-N 3.15Å; L36-R38 VanDerWaalsContact C-N 3.31Å; L36-R38 PolarHBondContact O-N 3.47Å; R38-R40 VanDerWaalsContact C-N 3.34Å; R38-T41 PolarHBondContact O-N 3.17Å; R38-R42 PolarHBondContact O-N 3.18Å
39E97.3Very high97.2Very high76 Ų7677 Ų7736%0.35534%0.343SS..Hα-helixtrans-61-44.3176.1-166.5-176.1165.400111.2Q35 L36 T41 R42 I43 Q65Q35-E39 PolarHBondContact O-N 3Å; L36-E39 PolarHBondContact O-N 3.2Å; E39-T41 VanDerWaalsContact C-N 3.29Å; E39-T41 PolarHBondContact O-N 2.83Å; E39-R42 CarbonylContact O-C 3.54Å; E39-R42 WeakPolarHBondContact O-CA 3.49Å; E39-R42 WeakPolarHBondContact O-CB 3.28Å; E39-R42 PolarHBondContact O-N 2.86Å; E39-R42 VanDerWaalsContact O-N 3.07Å; E39-I43 HydrophobicContact CG-CD1 3.83Å; E39-I43 HydrophobicContact CG-CG1 4.32Å; E39-I43 WeakPolarHBondContact O-CG1 3.48Å; E39-I43 PolarHBondContact O-N 3.34Å; E39-Q65 PolarHBondContact OE1-NE2 3.19Å
40R97Very high97.2Very high98 Ų9877.7 Ų77.737%0.3735%0.347SS..Hα-helixtrans-51.5-49173-176-164.9-169.7-101.9-9.8111.3L36 E37 R38 R42 I43 T44 L66 T69 D70 I73L36-R40 VanDerWaalsContact O-CB 3.3Å; L36-R40 WeakPolarHBondContact O-CB 3.11Å; L36-R40 PolarHBondContact O-N 2.86Å; E37-R40 WeakPolarHBondContact O-CB 3.39Å; R38-R40 VanDerWaalsContact C-N 3.34Å; R40-R42 VanDerWaalsContact C-N 3.35Å; R40-R42 PolarHBondContact O-N 3.34Å; R40-I43 PolarHBondContact O-N 2.84Å; R40-T44 WeakPolarHBondContact O-CB 3.36Å; R40-T44 PolarHBondContact O-N 3.46Å; R40-T44 PolarHBondContact O-OG1 3.36Å; R40-L66 HydrophobicContact CB-CD1 4.49Å; R40-L66 HydrophobicContact CG-CD1 3.62Å; R40-T69 HydrophobicContact CB-CG2 3.93Å; R40-D70 WeakPolarHBondContact CD-OD1 3.32Å; R40-D70 WeakPolarHBondContact CG-OD1 3.46Å; R40-D70 IonicContact CZ-OD1 2.82Å; R40-D70 IonicContact CZ-OD2 3.82Å; R40-D70 IonicContact NE-OD1 2.67Å; R40-D70 PolarHBondContact NE-OD1 2.66Å; R40-D70 IonicContact NE-OD2 3.99Å; R40-D70 PolarHBondContact NE-OD2 3.16Å; R40-D70 IonicContact NH2-OD1 3.59Å; R40-D70 IonicContact NH2-OD2 2.66Å; R40-D70 PolarHBondContact NH2-OD2 3.03Å; R40-D70 VanDerWaalsContact NH2-OD2 3.11Å; R40-I73 HydrophobicContact CB-CD1 4.09Å; R40-I73 HydrophobicContact CG-CD1 4.4Å
41T97.7Very high96.9Very high78 Ų7872.9 Ų72.948%0.47933%0.325SS..Hα-helixtrans-64.2-40.7179.4-56.20000111.5E37 R38 E39 T44 N45E37-T41 PolarHBondContact O-N 3.4Å; E37-T41 PolarHBondContact O-OG1 3.41Å; R38-T41 PolarHBondContact O-N 3.17Å; E39-T41 VanDerWaalsContact C-N 3.29Å; E39-T41 PolarHBondContact O-N 2.83Å; T41-T44 PolarHBondContact O-N 3.08Å; T41-N45 PolarHBondContact O-N 3.02Å; T41-N45 VanDerWaalsContact O-N 3.1Å; T41-N45 PolarHBondContact O-ND2 3.41Å
42R98.2Very high96.7Very high168 Ų16873.2 Ų73.263%0.63433%0.331SS*.Hα-helixtrans-61.9-52.1174.9179-176.3172.8177.4-0.3111.7R38 E39 R40 T44 N45 E46R38-R42 PolarHBondContact O-N 3.18Å; E39-R42 CarbonylContact O-C 3.54Å; E39-R42 WeakPolarHBondContact O-CA 3.49Å; E39-R42 WeakPolarHBondContact O-CB 3.28Å; E39-R42 PolarHBondContact O-N 2.86Å; E39-R42 VanDerWaalsContact O-N 3.07Å; R40-R42 VanDerWaalsContact C-N 3.35Å; R40-R42 PolarHBondContact O-N 3.34Å; R42-T44 VanDerWaalsContact C-N 3.27Å; R42-T44 PolarHBondContact O-N 3.45Å; R42-N45 PolarHBondContact O-N 3.25Å; R42-N45 VanDerWaalsContact O-N 3.11Å; R42-E46 WeakPolarHBondContact CG-OE1 3.38Å; R42-E46 IonicContact CZ-OE1 3.78Å; R42-E46 IonicContact NE-OE1 3.11Å; R42-E46 PolarHBondContact NE-OE1 3.03Å; R42-E46 IonicContact NH2-OE1 3.73Å; R42-E46 PolarHBondContact NH2-OE1 3.44Å; R42-E46 WeakPolarHBondContact O-CG 3.4Å; R42-E46 PolarHBondContact O-N 3.48Å
43I97.5Very high96.5Very high3 Ų376.1 Ų76.12%0.01534%0.338CS..Hα-helixtrans-56.2-45.1177.7-68.7161.3000110.2E39 R40 N45 E46 I47 M62 Q65 L66 T69E39-I43 HydrophobicContact CG-CD1 3.83Å; E39-I43 HydrophobicContact CG-CG1 4.32Å; E39-I43 WeakPolarHBondContact O-CG1 3.48Å; E39-I43 PolarHBondContact O-N 3.34Å; R40-I43 PolarHBondContact O-N 2.84Å; I43-N45 VanDerWaalsContact C-N 3.3Å; I43-N45 PolarHBondContact O-N 3.11Å; I43-E46 PolarHBondContact O-N 2.95Å; I43-I47 HydrophobicContact CG2-CD1 3.77Å; I43-I47 HydrophobicContact CG2-CG1 4.29Å; I43-I47 VanDerWaalsContact O-CG1 3.31Å; I43-I47 WeakPolarHBondContact O-CG1 3.48Å; I43-I47 PolarHBondContact O-N 3.32Å; I43-M62 HydrophobicContact CB-CE 4.45Å; I43-M62 HydrophobicContact CG1-CE 4.27Å; I43-M62 HydrophobicContact CG2-CE 4.15Å; I43-Q65 HydrophobicContact CD1-CG 3.78Å; I43-Q65 HydrophobicContact CG1-CG 4.46Å; I43-L66 HydrophobicContact CB-CD1 4.46Å; I43-L66 HydrophobicContact CG2-CB 3.71Å; I43-L66 HydrophobicContact CG2-CD1 4.14Å; I43-L66 HydrophobicContact CG2-CG 4.4Å; I43-T69 WeakPolarHBondContact CD1-OG1 3.47Å
44T96.5Very high96.2Very high9 Ų975.5 Ų75.56%0.05535%0.347CS..Hα-helixtrans-58.8-42178.5-56.60000111.8R40 T41 R42 R48 L171R40-T44 WeakPolarHBondContact O-CB 3.36Å; R40-T44 PolarHBondContact O-N 3.46Å; R40-T44 PolarHBondContact O-OG1 3.36Å; T41-T44 PolarHBondContact O-N 3.08Å; R42-T44 VanDerWaalsContact C-N 3.27Å; R42-T44 PolarHBondContact O-N 3.45Å; T44-R48 VanDerWaalsContact CG2-CZ 3.45Å; T44-R48 WeakPolarHBondContact O-CG 3.23Å; T44-R48 PolarHBondContact O-N 3.12Å; T44-L171 HydrophobicContact CG2-CD1 4.39Å; T44-L171 HydrophobicContact CG2-CD2 3.52Å
45N96.7Very high96Very high85 Ų8579.2 Ų79.246%0.45536%0.36SS..Hα-helixtrans-69.3-39.5177.2-70.2-25.5000112.4T41 R42 I43 R48 M49T41-N45 PolarHBondContact O-N 3.02Å; T41-N45 VanDerWaalsContact O-N 3.1Å; T41-N45 PolarHBondContact O-ND2 3.41Å; R42-N45 PolarHBondContact O-N 3.25Å; R42-N45 VanDerWaalsContact O-N 3.11Å; I43-N45 VanDerWaalsContact C-N 3.3Å; I43-N45 PolarHBondContact O-N 3.11Å; N45-R48 PolarHBondContact O-N 3.06Å; N45-R48 PolarHBondContact OD1-NH1 3.21Å; N45-M49 PolarHBondContact O-N 2.89Å
46E96.5Very high95.7Very high56 Ų5675.3 Ų75.326%0.26234%0.342SS..Hα-helixtrans-63.2-43.1175.3-71.2178.7-166.300111.2R42 I43 R48 M49 L50 M62R42-E46 WeakPolarHBondContact CG-OE1 3.38Å; R42-E46 IonicContact CZ-OE1 3.78Å; R42-E46 IonicContact NE-OE1 3.11Å; R42-E46 PolarHBondContact NE-OE1 3.03Å; R42-E46 IonicContact NH2-OE1 3.73Å; R42-E46 PolarHBondContact NH2-OE1 3.44Å; R42-E46 WeakPolarHBondContact O-CG 3.4Å; R42-E46 PolarHBondContact O-N 3.48Å; I43-E46 PolarHBondContact O-N 2.95Å; E46-R48 PolarHBondContact O-N 3.4Å; E46-M49 PolarHBondContact O-N 3.31Å; E46-L50 WeakPolarHBondContact O-CB 2.95Å; E46-L50 VanDerWaalsContact O-CG 3.27Å; E46-L50 WeakPolarHBondContact O-CG 3.47Å; E46-L50 PolarHBondContact O-N 2.92Å; E46-M62 HydrophobicContact CB-CE 3.94Å; E46-M62 WeakPolarHBondContact OE2-CE 3.43Å
47I96.1Very high95.5Very high0 Ų079.7 Ų79.70%037%0.366CS..Hα-helixtrans-55.2-49.2173.3-72.3167.5000111I43 M49 L50 A51 V59 M62 A63 L66 L168 L171 I173I43-I47 HydrophobicContact CG2-CD1 3.77Å; I43-I47 HydrophobicContact CG2-CG1 4.29Å; I43-I47 VanDerWaalsContact O-CG1 3.31Å; I43-I47 WeakPolarHBondContact O-CG1 3.48Å; I43-I47 PolarHBondContact O-N 3.32Å; I47-M49 VanDerWaalsContact C-N 3.32Å; I47-M49 PolarHBondContact O-N 2.94Å; I47-L50 PolarHBondContact O-N 3.3Å; I47-A51 WeakPolarHBondContact O-CB 3.21Å; I47-A51 PolarHBondContact O-N 2.89Å; I47-V59 HydrophobicContact CG2-CG1 4.27Å; I47-M62 HydrophobicContact CD1-CB 4.22Å; I47-M62 HydrophobicContact CG1-CB 3.5Å; I47-M62 VanDerWaalsContact CG1-CB 3.5Å; I47-A63 HydrophobicContact CD1-CB 4.33Å; I47-L66 HydrophobicContact CD1-CB 3.98Å; I47-L66 HydrophobicContact CD1-CD2 3.68Å; I47-L66 HydrophobicContact CD1-CG 4.45Å; I47-L168 HydrophobicContact CG2-CD2 4.35Å; I47-L171 HydrophobicContact CB-CD1 4.41Å; I47-L171 HydrophobicContact CD1-CD1 4.2Å; I47-L171 HydrophobicContact CG2-CD1 3.75Å; I47-I173 HydrophobicContact CG2-CD1 3.38Å
48R94.7Very high95.3Very high107 Ų10777.2 Ų77.240%0.40436%0.36SS..Hα-helixtrans-61.6-40178.5-69.2176.5-172128.7-0.9112.2T44 N45 E46 K52 I173T44-R48 VanDerWaalsContact CG2-CZ 3.45Å; T44-R48 WeakPolarHBondContact O-CG 3.23Å; T44-R48 PolarHBondContact O-N 3.12Å; N45-R48 PolarHBondContact O-N 3.06Å; N45-R48 PolarHBondContact OD1-NH1 3.21Å; E46-R48 PolarHBondContact O-N 3.4Å; R48-K52 WeakPolarHBondContact O-CG 3.32Å; R48-K52 PolarHBondContact O-N 3.44Å; R48-K52 VanDerWaalsContact O-N 3.16Å; R48-I173 HydrophobicContact CG-CD1 4.48Å
49M95.5Very high95.1Very high80 Ų8068.5 Ų68.539%0.39433%0.328SS..Hα-helixtrans-66.7-44.5178.1-178.5-173.964.300111.6N45 E46 I47 K52 R53N45-M49 PolarHBondContact O-N 2.89Å; E46-M49 PolarHBondContact O-N 3.31Å; I47-M49 VanDerWaalsContact C-N 3.32Å; I47-M49 PolarHBondContact O-N 2.94Å; M49-K52 PolarHBondContact O-N 3.21Å; M49-R53 WeakPolarHBondContact O-CG 3.17Å; M49-R53 PolarHBondContact O-N 2.92Å; M49-R53 PolarHBondContact SD-NH2 3.29Å
50L95.2Very high94.8Very high21 Ų2169.1 Ų69.111%0.1133%0.327CS..Hα-helixtrans-65.5-39.3178.4-69.9172.2000111.9E46 I47 R53 G54 Q55 A58 V59 M62E46-L50 WeakPolarHBondContact O-CB 2.95Å; E46-L50 VanDerWaalsContact O-CG 3.27Å; E46-L50 WeakPolarHBondContact O-CG 3.47Å; E46-L50 PolarHBondContact O-N 2.92Å; I47-L50 PolarHBondContact O-N 3.3Å; L50-R53 CarbonylContact O-C 3.54Å; L50-R53 WeakPolarHBondContact O-CB 3.49Å; L50-R53 PolarHBondContact O-N 3.28Å; L50-R53 VanDerWaalsContact O-N 3.11Å; L50-G54 PolarHBondContact O-N 3.31Å; L50-Q55 HydrophobicContact CD2-CB 4.39Å; L50-Q55 PolarHBondContact O-N 3.04Å; L50-Q55 VanDerWaalsContact O-N 3.07Å; L50-A58 HydrophobicContact CD1-CB 3.9Å; L50-A58 HydrophobicContact CD2-CB 4.12Å; L50-A58 HydrophobicContact CG-CB 4.49Å; L50-V59 HydrophobicContact CB-CG2 3.6Å; L50-M62 HydrophobicContact CD1-CG 3.67Å
51A93.1Very high94.7Very high4 Ų469.1 Ų69.13%0.03334%0.337CS..Hα-helixtrans-63.7-42.3176.200000112.2I47 R53 G54 V59 I173 Q178I47-A51 WeakPolarHBondContact O-CB 3.21Å; I47-A51 PolarHBondContact O-N 2.89Å; A51-R53 PolarHBondContact O-N 3.49Å; A51-G54 PolarHBondContact O-N 3.42Å; A51-V59 HydrophobicContact CB-CG2 3.92Å; A51-V59 VanDerWaalsContact N-CG2 3.33Å; A51-I173 HydrophobicContact CB-CD1 3.93Å; A51-I173 HydrophobicContact CB-CG1 4.3Å; A51-I173 HydrophobicContact CB-CG2 3.62Å; A51-Q178 PolarHBondContact O-NE2 2.67Å; A51-Q178 PolarHBondContact O-OE1 3.41Å
52K92.7Very high94.5Very high179 Ų17966.5 Ų66.578%0.77832%0.32SS*.Hα-helixtrans-61.7-25.9173.7-72.7177-178.2-1740113.3R48 M49 G54R48-K52 WeakPolarHBondContact O-CG 3.32Å; R48-K52 PolarHBondContact O-N 3.44Å; R48-K52 VanDerWaalsContact O-N 3.16Å; M49-K52 PolarHBondContact O-N 3.21Å; K52-G54 VanDerWaalsContact C-N 3.33Å
53R94.6Very high94.3Very high153 Ų15358.5 Ų58.558%0.57729%0.29SS*.THydrogen-bonded Turntrans-87.5-0.1175.7-65.5173.1-177.9176.11.2113M49 L50 A51 Q55M49-R53 WeakPolarHBondContact O-CG 3.17Å; M49-R53 PolarHBondContact O-N 2.92Å; M49-R53 PolarHBondContact SD-NH2 3.29Å; L50-R53 CarbonylContact O-C 3.54Å; L50-R53 WeakPolarHBondContact O-CB 3.49Å; L50-R53 PolarHBondContact O-N 3.28Å; L50-R53 VanDerWaalsContact O-N 3.11Å; A51-R53 PolarHBondContact O-N 3.49Å; R53-Q55 HydrophobicContact CB-CG 4.14Å; R53-Q55 PolarHBondContact O-N 3.48Å
54G91.1Very high94.1Very high41 Ų4161.4 Ų61.442%0.42330%0.302SS..THydrogen-bonded Turntrans67.117.3-176.700000114.2L50 A51 K52 I56L50-G54 PolarHBondContact O-N 3.31Å; A51-G54 PolarHBondContact O-N 3.42Å; K52-G54 VanDerWaalsContact C-N 3.33Å; G54-I56 VanDerWaalsContact C-N 3.28Å; G54-I56 PolarHBondContact O-N 3.28Å
55Q93.8Very high94Very high94 Ų9464.1 Ų64.144%0.43931%0.314SS..  trans-83.571.1-179.1-67.8-175-2000110.8L50 R53 D57 A58 V59L50-Q55 HydrophobicContact CD2-CB 4.39Å; L50-Q55 PolarHBondContact O-N 3.04Å; L50-Q55 VanDerWaalsContact O-N 3.07Å; R53-Q55 HydrophobicContact CB-CG 4.14Å; R53-Q55 PolarHBondContact O-N 3.48Å; Q55-D57 PolarHBondContact O-N 2.9Å; Q55-A58 HydrophobicContact CB-CB 4.11Å; Q55-A58 PolarHBondContact O-N 2.93Å; Q55-V59 WeakPolarHBondContact O-CG2 3.14Å; Q55-V59 PolarHBondContact O-N 3.1Å
56I91.3Very high93.9Very high36 Ų3660.2 Ų60.219%0.18529%0.293CS..Hα-helixtrans-61.1-40.5-170.4-56.7-50.9000113.2G54 A58 V59 R60 L175G54-I56 VanDerWaalsContact C-N 3.28Å; G54-I56 PolarHBondContact O-N 3.28Å; I56-A58 PolarHBondContact O-N 3.45Å; I56-V59 WeakPolarHBondContact O-CB 3.34Å; I56-V59 PolarHBondContact O-N 2.89Å; I56-R60 PolarHBondContact O-N 2.7Å; I56-L175 HydrophobicContact CD1-CG 4.32Å; I56-L175 HydrophobicContact CG2-CD2 3.5Å; I56-L175 HydrophobicContact CG2-CG 4.31Å
57D92.6Very high93.8Very high115 Ų11558 Ų5862%0.61528%0.284SS*.Hα-helixtrans-66.4-39.6179.5-65.3-34.7000111.9Q55 R60 V61Q55-D57 PolarHBondContact O-N 2.9Å; D57-R60 PolarHBondContact O-N 3.47Å; D57-R60 IonicContact OD1-NH1 3.07Å; D57-R60 PolarHBondContact OD1-NH1 2.76Å; D57-V61 WeakPolarHBondContact O-CG2 2.99Å; D57-V61 PolarHBondContact O-N 2.81Å; D57-V61 VanDerWaalsContact O-N 3.08Å
58A93.9Very high93.6Very high36 Ų3662.3 Ų62.330%0.29830%0.3SS..Hα-helixtrans-65.9-40.4174.300000111.4L50 Q55 I56 R60 V61 M62L50-A58 HydrophobicContact CD1-CB 3.9Å; L50-A58 HydrophobicContact CD2-CB 4.12Å; L50-A58 HydrophobicContact CG-CB 4.49Å; Q55-A58 HydrophobicContact CB-CB 4.11Å; Q55-A58 PolarHBondContact O-N 2.93Å; I56-A58 PolarHBondContact O-N 3.45Å; A58-R60 VanDerWaalsContact C-N 3.33Å; A58-R60 PolarHBondContact O-N 2.92Å; A58-V61 PolarHBondContact O-N 3.07Å; A58-M62 VanDerWaalsContact O-CG 3.31Å; A58-M62 WeakPolarHBondContact O-CG 3.45Å; A58-M62 PolarHBondContact O-N 3.49Å
59V94.7Very high93.6Very high0 Ų057.5 Ų57.50%028%0.282CS..Hα-helixtrans-57.4-45.5172.7167.90000111I47 L50 A51 Q55 I56 V61 M62 A63 L168I47-V59 HydrophobicContact CG2-CG1 4.27Å; L50-V59 HydrophobicContact CB-CG2 3.6Å; A51-V59 HydrophobicContact CB-CG2 3.92Å; A51-V59 VanDerWaalsContact N-CG2 3.33Å; Q55-V59 WeakPolarHBondContact O-CG2 3.14Å; Q55-V59 PolarHBondContact O-N 3.1Å; I56-V59 WeakPolarHBondContact O-CB 3.34Å; I56-V59 PolarHBondContact O-N 2.89Å; V59-V61 PolarHBondContact O-N 3.32Å; V59-M62 PolarHBondContact O-N 3Å; V59-A63 VanDerWaalsContact O-CB 3.23Å; V59-A63 WeakPolarHBondContact O-CB 3.49Å; V59-A63 PolarHBondContact O-N 3.31Å; V59-L168 HydrophobicContact CG1-CD2 3.43Å; V59-L168 VanDerWaalsContact CG1-CD2 3.43Å
60R92.4Very high93.5Very high89 Ų8955.1 Ų55.134%0.33627%0.271SS..Hα-helixtrans-63-41.9179.3-169.9-179-67.3115.9-1.4112.1I56 D57 A58 A63 K64 V164I56-R60 PolarHBondContact O-N 2.7Å; D57-R60 PolarHBondContact O-N 3.47Å; D57-R60 IonicContact OD1-NH1 3.07Å; D57-R60 PolarHBondContact OD1-NH1 2.76Å; A58-R60 VanDerWaalsContact C-N 3.33Å; A58-R60 PolarHBondContact O-N 2.92Å; R60-A63 PolarHBondContact O-N 3.35Å; R60-K64 WeakPolarHBondContact O-CG 3.35Å; R60-K64 PolarHBondContact O-N 2.92Å; R60-K64 VanDerWaalsContact O-N 3.08Å; R60-V164 HydrophobicContact CG-CG1 4.32Å
61V93.4Very high93.4Very high97 Ų9754.3 Ų54.359%0.58827%0.268SS*.Hα-helixtrans-64.4-47.2176.8173.50000111.1D57 A58 V59 A63 K64 Q65D57-V61 WeakPolarHBondContact O-CG2 2.99Å; D57-V61 PolarHBondContact O-N 2.81Å; D57-V61 VanDerWaalsContact O-N 3.08Å; A58-V61 PolarHBondContact O-N 3.07Å; V59-V61 PolarHBondContact O-N 3.32Å; V61-A63 VanDerWaalsContact C-N 3.33Å; V61-A63 PolarHBondContact O-N 3.24Å; V61-K64 WeakPolarHBondContact O-CB 3.09Å; V61-K64 PolarHBondContact O-N 2.97Å; V61-Q65 PolarHBondContact O-N 3.45Å
62M94.2Very high93.4Very high24 Ų2459.8 Ų59.812%0.11829%0.288CS..Hα-helixtrans-66.4-35.1178.8-67.2-59.4-6900112.3I43 E46 I47 L50 A58 V59 Q65 L66I43-M62 HydrophobicContact CB-CE 4.45Å; I43-M62 HydrophobicContact CG1-CE 4.27Å; I43-M62 HydrophobicContact CG2-CE 4.15Å; E46-M62 HydrophobicContact CB-CE 3.94Å; E46-M62 WeakPolarHBondContact OE2-CE 3.43Å; I47-M62 HydrophobicContact CD1-CB 4.22Å; I47-M62 HydrophobicContact CG1-CB 3.5Å; I47-M62 VanDerWaalsContact CG1-CB 3.5Å; L50-M62 HydrophobicContact CD1-CG 3.67Å; A58-M62 VanDerWaalsContact O-CG 3.31Å; A58-M62 WeakPolarHBondContact O-CG 3.45Å; A58-M62 PolarHBondContact O-N 3.49Å; V59-M62 PolarHBondContact O-N 3Å; M62-Q65 WeakPolarHBondContact O-CB 3.36Å; M62-Q65 PolarHBondContact O-N 2.46Å; M62-L66 PolarHBondContact O-N 3.29Å
63A93.6Very high93.6Very high0 Ų052.3 Ų52.30%026%0.256CS..Hα-helixtrans-65.7-38.8174.800000111.9I47 V59 R60 V61 Q65 L66 V67 V164 L168I47-A63 HydrophobicContact CD1-CB 4.33Å; V59-A63 VanDerWaalsContact O-CB 3.23Å; V59-A63 WeakPolarHBondContact O-CB 3.49Å; V59-A63 PolarHBondContact O-N 3.31Å; R60-A63 PolarHBondContact O-N 3.35Å; V61-A63 VanDerWaalsContact C-N 3.33Å; V61-A63 PolarHBondContact O-N 3.24Å; A63-Q65 VanDerWaalsContact C-N 3.32Å; A63-Q65 PolarHBondContact O-N 3.22Å; A63-L66 WeakPolarHBondContact O-CB 3.3Å; A63-L66 PolarHBondContact O-N 3.1Å; A63-V67 WeakPolarHBondContact O-CG2 3.46Å; A63-V67 PolarHBondContact O-N 3.24Å; A63-V164 HydrophobicContact CB-CG1 3.66Å; A63-L168 HydrophobicContact CB-CD2 3.97Å; A63-L168 HydrophobicContact CB-CG 4.25Å
64K93.8Very high93.6Very high63 Ų6351.6 Ų51.627%0.27426%0.258SS..Hα-helixtrans-60.8-40.9169.5-71.2179.6-179.9-170.40111.9R60 V61 L66 V67 R68 V164R60-K64 WeakPolarHBondContact O-CG 3.35Å; R60-K64 PolarHBondContact O-N 2.92Å; R60-K64 VanDerWaalsContact O-N 3.08Å; V61-K64 WeakPolarHBondContact O-CB 3.09Å; V61-K64 PolarHBondContact O-N 2.97Å; K64-L66 VanDerWaalsContact C-N 3.34Å; K64-V67 PolarHBondContact O-N 3.2Å; K64-R68 WeakPolarHBondContact O-CG 3.43Å; K64-R68 PolarHBondContact O-N 3.39Å; K64-V164 HydrophobicContact CG-CG2 3.54Å
65Q93.8Very high93.7Very high67 Ų6752.4 Ų52.431%0.31325%0.25SC..Hα-helixtrans-61.5-43.2174-170.8-179.7-1300111.2E39 I43 V61 M62 A63 V67 R68 T69E39-Q65 PolarHBondContact OE1-NE2 3.19Å; I43-Q65 HydrophobicContact CD1-CG 3.78Å; I43-Q65 HydrophobicContact CG1-CG 4.46Å; V61-Q65 PolarHBondContact O-N 3.45Å; M62-Q65 WeakPolarHBondContact O-CB 3.36Å; M62-Q65 PolarHBondContact O-N 2.46Å; A63-Q65 VanDerWaalsContact C-N 3.32Å; A63-Q65 PolarHBondContact O-N 3.22Å; Q65-V67 PolarHBondContact O-N 3.41Å; Q65-R68 PolarHBondContact O-N 3.35Å; Q65-T69 PolarHBondContact O-N 3.25Å; Q65-T69 PolarHBondContact O-OG1 2.81Å; Q65-T69 VanDerWaalsContact O-OG1 3.1Å
66L95.4Very high93.8Very high2 Ų249.5 Ų49.51%0.0124%0.235CC..Hα-helixtrans-58.7-44.5177.1-175.156.5000112.2R40 I43 I47 M62 A63 K64 R68 T69 D70 V167 L171R40-L66 HydrophobicContact CB-CD1 4.49Å; R40-L66 HydrophobicContact CG-CD1 3.62Å; I43-L66 HydrophobicContact CB-CD1 4.46Å; I43-L66 HydrophobicContact CG2-CB 3.71Å; I43-L66 HydrophobicContact CG2-CD1 4.14Å; I43-L66 HydrophobicContact CG2-CG 4.4Å; I47-L66 HydrophobicContact CD1-CB 3.98Å; I47-L66 HydrophobicContact CD1-CD2 3.68Å; I47-L66 HydrophobicContact CD1-CG 4.45Å; M62-L66 PolarHBondContact O-N 3.29Å; A63-L66 WeakPolarHBondContact O-CB 3.3Å; A63-L66 PolarHBondContact O-N 3.1Å; K64-L66 VanDerWaalsContact C-N 3.34Å; L66-R68 VanDerWaalsContact C-N 3.33Å; L66-R68 PolarHBondContact O-N 3.34Å; L66-T69 PolarHBondContact O-N 3.02Å; L66-D70 WeakPolarHBondContact O-CB 3.26Å; L66-D70 PolarHBondContact O-N 3.11Å; L66-V167 HydrophobicContact CD2-CG1 3.58Å; L66-V167 HydrophobicContact CG-CG1 4.27Å; L66-L171 HydrophobicContact CD2-CD1 4.04Å
67V93.2Very high93.9Very high11 Ų1150.2 Ų50.27%0.06724%0.244CC..Hα-helixtrans-58.3-45.7176.6172.90000111.2A63 K64 Q65 D70 S71 E158 V163 V167A63-V67 WeakPolarHBondContact O-CG2 3.46Å; A63-V67 PolarHBondContact O-N 3.24Å; K64-V67 PolarHBondContact O-N 3.2Å; Q65-V67 PolarHBondContact O-N 3.41Å; V67-D70 PolarHBondContact O-N 2.84Å; V67-S71 PolarHBondContact O-N 3.18Å; V67-E158 HydrophobicContact CG1-CB 4.46Å; V67-E158 WeakPolarHBondContact CG1-O 3.48Å; V67-V163 HydrophobicContact CB-CG1 4.45Å; V67-V163 HydrophobicContact CG1-CG1 3.7Å; V67-V163 HydrophobicContact CG2-CG1 3.79Å; V67-V167 HydrophobicContact CG2-CG2 3.73Å
68R92.2Very high94Very high90 Ų9048.7 Ų48.734%0.3424%0.235SC..Hα-helixtrans-65.6-41.9177.7-65.7-176.4-166.5106.2-5.6112.3K64 Q65 L66 D70 S71 Y72 D159K64-R68 WeakPolarHBondContact O-CG 3.43Å; K64-R68 PolarHBondContact O-N 3.39Å; Q65-R68 PolarHBondContact O-N 3.35Å; L66-R68 VanDerWaalsContact C-N 3.33Å; L66-R68 PolarHBondContact O-N 3.34Å; R68-D70 VanDerWaalsContact C-N 3.32Å; R68-D70 PolarHBondContact O-N 3.46Å; R68-S71 VanDerWaalsContact O-CB 3.32Å; R68-S71 WeakPolarHBondContact O-CB 3.32Å; R68-S71 PolarHBondContact O-N 3.28Å; R68-Y72 HydrophobicContact CB-CE2 4.33Å; R68-Y72 WeakPolarHBondContact O-CD2 3.49Å; R68-Y72 PolarHBondContact O-N 2.95Å; R68-D159 IonicContact CZ-OD1 3.48Å; R68-D159 IonicContact CZ-OD2 3.34Å; R68-D159 IonicContact NE-OD1 2.67Å; R68-D159 PolarHBondContact NE-OD1 2.94Å; R68-D159 IonicContact NE-OD2 3.61Å; R68-D159 PolarHBondContact NE-OD2 3.36Å; R68-D159 VanDerWaalsContact NH2-CG 3.34Å; R68-D159 IonicContact NH2-OD1 2.84Å; R68-D159 PolarHBondContact NH2-OD1 3.29Å; R68-D159 IonicContact NH2-OD2 3Å; R68-D159 PolarHBondContact NH2-OD2 3.07Å
69T95.3Very high94Very high5 Ų551 Ų513%0.03124%0.241CC..Hα-helixtrans-60.8-42.6174.8-57.30000111.2L36 R40 I43 Q65 L66 Y72 I73L36-T69 HydrophobicContact CB-CG2 4.33Å; L36-T69 HydrophobicContact CD2-CG2 4.28Å; L36-T69 WeakPolarHBondContact O-CG2 3.38Å; R40-T69 HydrophobicContact CB-CG2 3.93Å; I43-T69 WeakPolarHBondContact CD1-OG1 3.47Å; Q65-T69 PolarHBondContact O-N 3.25Å; Q65-T69 PolarHBondContact O-OG1 2.81Å; Q65-T69 VanDerWaalsContact O-OG1 3.1Å; L66-T69 PolarHBondContact O-N 3.02Å; T69-Y72 PolarHBondContact O-N 3.41Å; T69-I73 HydrophobicContact CG2-CD1 4.17Å; T69-I73 WeakPolarHBondContact O-CG1 3.42Å; T69-I73 PolarHBondContact O-N 3.13Å
70D94.2Very high94Very high30 Ų3053.7 Ų53.716%0.1625%0.253CS..Hα-helixtrans-65.5-38.1177.2-81.32.8000112.2R40 L66 V67 R68 I73 K74R40-D70 WeakPolarHBondContact CD-OD1 3.32Å; R40-D70 WeakPolarHBondContact CG-OD1 3.46Å; R40-D70 IonicContact CZ-OD1 2.82Å; R40-D70 IonicContact CZ-OD2 3.82Å; R40-D70 IonicContact NE-OD1 2.67Å; R40-D70 PolarHBondContact NE-OD1 2.66Å; R40-D70 IonicContact NE-OD2 3.99Å; R40-D70 PolarHBondContact NE-OD2 3.16Å; R40-D70 IonicContact NH2-OD1 3.59Å; R40-D70 IonicContact NH2-OD2 2.66Å; R40-D70 PolarHBondContact NH2-OD2 3.03Å; R40-D70 VanDerWaalsContact NH2-OD2 3.11Å; L66-D70 WeakPolarHBondContact O-CB 3.26Å; L66-D70 PolarHBondContact O-N 3.11Å; V67-D70 PolarHBondContact O-N 2.84Å; R68-D70 VanDerWaalsContact C-N 3.32Å; R68-D70 PolarHBondContact O-N 3.46Å; D70-I73 PolarHBondContact O-N 2.85Å; D70-K74 VanDerWaalsContact O-CG 3.32Å; D70-K74 WeakPolarHBondContact O-CG 3.41Å; D70-K74 PolarHBondContact O-N 3.04Å
71S91.6Very high94.2Very high5 Ų552.7 Ų52.74%0.03526%0.26CS..Hα-helixtrans-57.7-51.8169.4175.10000111.9V67 R68 I73 K74 K75 E158V67-S71 PolarHBondContact O-N 3.18Å; R68-S71 VanDerWaalsContact O-CB 3.32Å; R68-S71 WeakPolarHBondContact O-CB 3.32Å; R68-S71 PolarHBondContact O-N 3.28Å; S71-I73 VanDerWaalsContact C-N 3.31Å; S71-I73 PolarHBondContact O-N 3.36Å; S71-K74 CarbonylContact O-C 3.6Å; S71-K74 WeakPolarHBondContact O-CA 3.37Å; S71-K74 WeakPolarHBondContact O-CB 3.36Å; S71-K74 PolarHBondContact O-N 2.91Å; S71-K75 WeakPolarHBondContact O-CG 3.44Å; S71-K75 PolarHBondContact O-N 2.99Å; S71-E158 WeakPolarHBondContact CB-OE1 3.5Å; S71-E158 WeakPolarHBondContact CB-OE2 3.25Å; S71-E158 PolarHBondContact OG-OE1 3.4Å; S71-E158 PolarHBondContact OG-OE2 2.7Å
72Y94Very high94.2Very high118 Ų11852.2 Ų52.246%0.46325%0.254SS..Hα-helixtrans-60.3-42.1-179.7-68.1-48.6000111.4R68 T69 K74 K75 F76R68-Y72 HydrophobicContact CB-CE2 4.33Å; R68-Y72 WeakPolarHBondContact O-CD2 3.49Å; R68-Y72 PolarHBondContact O-N 2.95Å; T69-Y72 PolarHBondContact O-N 3.41Å; Y72-K74 VanDerWaalsContact C-N 3.29Å; Y72-K74 PolarHBondContact O-N 3.38Å; Y72-K75 HydrophobicContact CD1-CD 4.25Å; Y72-K75 PolarHBondContact O-N 2.9Å; Y72-F76 WeakPolarHBondContact O-CD2 3.32Å; Y72-F76 PolarHBondContact O-N 3.05Å
73I96.2Very high94.2Very high22 Ų2252.4 Ų52.411%0.11326%0.255CS..Hα-helixtrans-57.6-43.1174.1-68166.2000111.1K33 L36 E37 R40 T69 D70 S71 F76 S77K33-I73 HydrophobicContact CG-CG2 4.39Å; L36-I73 HydrophobicContact CB-CD1 4.2Å; L36-I73 HydrophobicContact CB-CG1 3.65Å; L36-I73 HydrophobicContact CD1-CG1 4.43Å; E37-I73 HydrophobicContact CG-CD1 3.98Å; E37-I73 HydrophobicContact CG-CG1 4.36Å; E37-I73 HydrophobicContact CG-CG2 4.47Å; R40-I73 HydrophobicContact CB-CD1 4.09Å; R40-I73 HydrophobicContact CG-CD1 4.4Å; T69-I73 HydrophobicContact CG2-CD1 4.17Å; T69-I73 WeakPolarHBondContact O-CG1 3.42Å; T69-I73 PolarHBondContact O-N 3.13Å; D70-I73 PolarHBondContact O-N 2.85Å; S71-I73 VanDerWaalsContact C-N 3.31Å; S71-I73 PolarHBondContact O-N 3.36Å; I73-F76 PolarHBondContact O-N 3.15Å; I73-S77 PolarHBondContact O-N 3.03Å
74K94.7Very high94.2Very high139 Ų13954.8 Ų54.860%0.60427%0.27SS*.Hα-helixtrans-64.1-45.9175.3-69.4168.7-171.8169.10111.7D70 S71 Y72 F76 S77 L78D70-K74 VanDerWaalsContact O-CG 3.32Å; D70-K74 WeakPolarHBondContact O-CG 3.41Å; D70-K74 PolarHBondContact O-N 3.04Å; S71-K74 CarbonylContact O-C 3.6Å; S71-K74 WeakPolarHBondContact O-CA 3.37Å; S71-K74 WeakPolarHBondContact O-CB 3.36Å; S71-K74 PolarHBondContact O-N 2.91Å; Y72-K74 VanDerWaalsContact C-N 3.29Å; Y72-K74 PolarHBondContact O-N 3.38Å; K74-F76 VanDerWaalsContact C-N 3.34Å; K74-F76 PolarHBondContact O-N 3.16Å; K74-S77 WeakPolarHBondContact O-CB 3.45Å; K74-S77 PolarHBondContact O-N 3.44Å; K74-S77 VanDerWaalsContact O-N 3.15Å; K74-L78 PolarHBondContact O-N 3.5Å
75K93.7Very high94.2Very high58 Ų5853.5 Ų53.525%0.25227%0.271SS..Hα-helixtrans-57-46.3176.1-71.3-178.8176.8-172.60110.8S71 Y72 S77 L78 M79 D155S71-K75 WeakPolarHBondContact O-CG 3.44Å; S71-K75 PolarHBondContact O-N 2.99Å; Y72-K75 HydrophobicContact CD1-CD 4.25Å; Y72-K75 PolarHBondContact O-N 2.9Å; K75-S77 PolarHBondContact O-N 3.31Å; K75-L78 WeakPolarHBondContact O-CB 3.16Å; K75-L78 PolarHBondContact O-N 3.34Å; K75-M79 VanDerWaalsContact O-CG 3.32Å; K75-M79 WeakPolarHBondContact O-CG 3.36Å; K75-M79 PolarHBondContact O-N 2.86Å; K75-D155 IonicContact NZ-OD1 3.41Å; K75-D155 PolarHBondContact NZ-OD1 2.68Å
76F94.9Very high94.1Very high32 Ų3253.9 Ų53.914%0.1428%0.275CS..Hα-helixtrans-63.1-40.1174.8-84.1-70.6000113.2I29 E32 K33 L36 Y72 I73 K74 L78 M79 H80I29-F76 HydrophobicContact CB-CD1 4.32Å; I29-F76 HydrophobicContact CG1-CD1 4.21Å; I29-F76 HydrophobicContact CG2-CB 4.39Å; I29-F76 HydrophobicContact CG2-CD1 3.97Å; I29-F76 WeakPolarHBondContact CG2-O 2.99Å; E32-F76 HydrophobicContact CB-CD1 4.39Å; E32-F76 HydrophobicContact CB-CE1 3.77Å; E32-F76 HydrophobicContact CB-CE2 4.45Å; E32-F76 HydrophobicContact CB-CZ 3.8Å; E32-F76 WeakPolarHBondContact OE2-CE1 3.48Å; E32-F76 WeakPolarHBondContact OE2-CZ 3.42Å; K33-F76 HydrophobicContact CB-CB 4.07Å; K33-F76 HydrophobicContact CB-CG 4.5Å; K33-F76 HydrophobicContact CG-CB 4.47Å; L36-F76 HydrophobicContact CD1-CD2 3.41Å; L36-F76 VanDerWaalsContact CD1-CD2 3.41Å; L36-F76 HydrophobicContact CD1-CE2 3.46Å; L36-F76 VanDerWaalsContact CD1-CE2 3.46Å; Y72-F76 WeakPolarHBondContact O-CD2 3.32Å; Y72-F76 PolarHBondContact O-N 3.05Å; I73-F76 PolarHBondContact O-N 3.15Å; K74-F76 VanDerWaalsContact C-N 3.34Å; K74-F76 PolarHBondContact O-N 3.16Å; F76-L78 VanDerWaalsContact C-N 3.34Å; F76-M79 PolarHBondContact O-N 3.43Å; F76-H80 WeakPolarHBondContact O-CB 3.21Å; F76-H80 PolarHBondContact O-N 3.03Å
77S94.3Very high94Very high52 Ų5255.6 Ų55.636%0.36429%0.287SS..Hα-helixtrans-62.5-41.1173.5-114.20000112K33 I73 K74 K75 H80 S81K33-S77 PolarHBondContact NZ-OG 3Å; I73-S77 PolarHBondContact O-N 3.03Å; K74-S77 WeakPolarHBondContact O-CB 3.45Å; K74-S77 PolarHBondContact O-N 3.44Å; K74-S77 VanDerWaalsContact O-N 3.15Å; K75-S77 PolarHBondContact O-N 3.31Å; S77-H80 PolarHBondContact O-N 3.3Å; S77-S81 PolarHBondContact O-N 3.45Å
78L94.4Very high93.9Very high82 Ų8260.3 Ų60.343%0.42931%0.31SS..Hα-helixtrans-65.3-46176.4-176.165.8000111K74 K75 F76 H80 S81 N82K74-L78 PolarHBondContact O-N 3.5Å; K75-L78 WeakPolarHBondContact O-CB 3.16Å; K75-L78 PolarHBondContact O-N 3.34Å; F76-L78 VanDerWaalsContact C-N 3.34Å; L78-H80 VanDerWaalsContact C-N 3.35Å; L78-H80 PolarHBondContact O-N 3.34Å; L78-S81 WeakPolarHBondContact O-CB 3.43Å; L78-S81 PolarHBondContact O-N 3.48Å; L78-N82 WeakPolarHBondContact O-CB 3.19Å; L78-N82 VanDerWaalsContact O-CG 3.27Å; L78-N82 PolarHBondContact O-N 3.41Å
79M94.3Very high93.8Very high86 Ų8661 Ų6142%0.42432%0.315SS..Hα-helixtrans-58.7-44.6174.6-71.5173.460.100111.8I29 K75 F76 S81 N82 I83I29-M79 HydrophobicContact CD1-CB 3.93Å; I29-M79 HydrophobicContact CD1-CE 4.08Å; I29-M79 HydrophobicContact CG1-CE 4.31Å; K75-M79 VanDerWaalsContact O-CG 3.32Å; K75-M79 WeakPolarHBondContact O-CG 3.36Å; K75-M79 PolarHBondContact O-N 2.86Å; F76-M79 PolarHBondContact O-N 3.43Å; M79-S81 VanDerWaalsContact C-N 3.33Å; M79-S81 PolarHBondContact O-N 3.21Å; M79-N82 PolarHBondContact O-N 2.91Å; M79-I83 WeakPolarHBondContact O-CB 3.45Å; M79-I83 WeakPolarHBondContact O-CG1 3.4Å; M79-I83 PolarHBondContact O-N 3.38Å
80H95.5Very high93.6Very high55 Ų5562.5 Ų62.526%0.25532%0.322SS..Hα-helixtrans-57.5-46.3175.6-175.9-81000111.8I29 E30 F76 S77 L78 I83 T84I29-H80 HydrophobicContact CG2-CB 3.86Å; E30-H80 IonicContact OE1-CD2 2.75Å; E30-H80 IonicContact OE1-CE1 3.46Å; E30-H80 IonicContact OE1-NE2 3.49Å; E30-H80 PolarHBondContact OE1-NE2 2.95Å; F76-H80 WeakPolarHBondContact O-CB 3.21Å; F76-H80 PolarHBondContact O-N 3.03Å; S77-H80 PolarHBondContact O-N 3.3Å; L78-H80 VanDerWaalsContact C-N 3.35Å; L78-H80 PolarHBondContact O-N 3.34Å; H80-I83 PolarHBondContact O-N 2.99Å; H80-T84 WeakPolarHBondContact O-CB 3.2Å; H80-T84 PolarHBondContact O-N 3.47Å; H80-T84 PolarHBondContact O-OG1 3.15Å
81S95.2Very high93.5Very high69 Ų6967.8 Ų67.848%0.48335%0.346SS..Hα-helixtrans-62-47.1177.2-169.80000111.8S77 L78 M79 I83 T84 A85S77-S81 PolarHBondContact O-N 3.45Å; L78-S81 WeakPolarHBondContact O-CB 3.43Å; L78-S81 PolarHBondContact O-N 3.48Å; M79-S81 VanDerWaalsContact C-N 3.33Å; M79-S81 PolarHBondContact O-N 3.21Å; S81-I83 PolarHBondContact O-N 2.86Å; S81-T84 WeakPolarHBondContact O-CB 3.45Å; S81-T84 PolarHBondContact O-N 2.88Å; S81-A85 WeakPolarHBondContact O-CB 3.48Å; S81-A85 PolarHBondContact O-N 3.13Å
82N92.9Very high93.5Very high87 Ų8771.7 Ų71.747%0.46537%0.37SS..Hα-helixtrans-60.8-43.5178.5-72.2-14.6000111.8L78 M79 A85 L86L78-N82 WeakPolarHBondContact O-CB 3.19Å; L78-N82 VanDerWaalsContact O-CG 3.27Å; L78-N82 PolarHBondContact O-N 3.41Å; M79-N82 PolarHBondContact O-N 2.91Å; N82-A85 WeakPolarHBondContact O-CB 3.33Å; N82-A85 PolarHBondContact O-N 2.96Å; N82-L86 WeakPolarHBondContact O-CG 3.37Å; N82-L86 PolarHBondContact O-N 3.28Å
83I94.4Very high93.1Very high27 Ų2769.1 Ų69.114%0.13836%0.364CS..Hα-helixtrans-69.1-37.2177.4-67-177.5000111.6I22 T25 L26 I29 M79 H80 S81 A85 L86 S87I22-I83 HydrophobicContact CB-CG2 4.38Å; I22-I83 HydrophobicContact CG1-CG2 4.38Å; I22-I83 HydrophobicContact CG2-CG2 3.69Å; T25-I83 HydrophobicContact CG2-CD1 3.35Å; L26-I83 HydrophobicContact CD1-CG2 4.33Å; L26-I83 HydrophobicContact CD2-CB 3.99Å; L26-I83 HydrophobicContact CD2-CG2 3.7Å; L26-I83 HydrophobicContact CG-CG2 3.68Å; I29-I83 HydrophobicContact CD1-CD1 3.43Å; I29-I83 VanDerWaalsContact CD1-CD1 3.43Å; M79-I83 WeakPolarHBondContact O-CB 3.45Å; M79-I83 WeakPolarHBondContact O-CG1 3.4Å; M79-I83 PolarHBondContact O-N 3.38Å; H80-I83 PolarHBondContact O-N 2.99Å; S81-I83 PolarHBondContact O-N 2.86Å; I83-A85 VanDerWaalsContact C-N 3.32Å; I83-L86 WeakPolarHBondContact O-CB 3.49Å; I83-L86 PolarHBondContact O-N 3.4Å; I83-S87 PolarHBondContact O-N 3.45Å
84T94.2Very high92.8Very high51 Ų5173.8 Ų73.831%0.31338%0.384SS..Hα-helixtrans-62.3-42.3172.6-60.50000110.8H80 S81 S87 M88H80-T84 WeakPolarHBondContact O-CB 3.2Å; H80-T84 PolarHBondContact O-N 3.47Å; H80-T84 PolarHBondContact O-OG1 3.15Å; S81-T84 WeakPolarHBondContact O-CB 3.45Å; S81-T84 PolarHBondContact O-N 2.88Å; T84-S87 VanDerWaalsContact O-CB 3.31Å; T84-S87 WeakPolarHBondContact O-CB 3.46Å; T84-S87 PolarHBondContact O-N 3.27Å; T84-M88 WeakPolarHBondContact O-CG 3.46Å; T84-M88 PolarHBondContact O-N 3.44Å
85A93.7Very high92.6Very high36 Ų3670.4 Ų70.430%0.29838%0.377SS..Hα-helixtrans-62.5-41.4173.600000112.1S81 N82 I83 M88 K89S81-A85 WeakPolarHBondContact O-CB 3.48Å; S81-A85 PolarHBondContact O-N 3.13Å; N82-A85 WeakPolarHBondContact O-CB 3.33Å; N82-A85 PolarHBondContact O-N 2.96Å; I83-A85 VanDerWaalsContact C-N 3.32Å; A85-M88 HydrophobicContact CB-CE 4.42Å; A85-M88 PolarHBondContact O-N 2.92Å; A85-K89 WeakPolarHBondContact O-CG 3.45Å; A85-K89 PolarHBondContact O-N 3.03Å
86L91.1Very high92.3Very high75 Ų7570.6 Ų70.639%0.39338%0.383SS..Hα-helixtrans-61.8-41172.9-72.5166.9000111.9N82 I83 M88 K89 I90N82-L86 WeakPolarHBondContact O-CG 3.37Å; N82-L86 PolarHBondContact O-N 3.28Å; I83-L86 WeakPolarHBondContact O-CB 3.49Å; I83-L86 PolarHBondContact O-N 3.4Å; L86-M88 VanDerWaalsContact C-N 3.32Å; L86-M88 PolarHBondContact O-N 3.12Å; L86-K89 HydrophobicContact CD2-CD 4.46Å; L86-K89 WeakPolarHBondContact O-CB 3.5Å; L86-K89 PolarHBondContact O-N 3.02Å; L86-I90 WeakPolarHBondContact O-CG1 3.47Å; L86-I90 PolarHBondContact O-N 3.1Å
87S93Very high92Very high37 Ų3772 Ų7226%0.25940%0.401SS..Hα-helixtrans-57.7-45.4174.1-170.30000111.6I83 T84 I90 Q91I83-S87 PolarHBondContact O-N 3.45Å; T84-S87 VanDerWaalsContact O-CB 3.31Å; T84-S87 WeakPolarHBondContact O-CB 3.46Å; T84-S87 PolarHBondContact O-N 3.27Å; S87-I90 PolarHBondContact O-N 3.3Å; S87-Q91 PolarHBondContact O-N 3.43Å
88M93.1Very high91.8Very high111 Ų11173 Ų7355%0.54741%0.405SS..Hα-helixtrans-64.6-43.2176.2-67.9-170.8-68.600111.6T84 A85 L86 I90 Q91 T92T84-M88 WeakPolarHBondContact O-CG 3.46Å; T84-M88 PolarHBondContact O-N 3.44Å; A85-M88 HydrophobicContact CB-CE 4.42Å; A85-M88 PolarHBondContact O-N 2.92Å; L86-M88 VanDerWaalsContact C-N 3.32Å; L86-M88 PolarHBondContact O-N 3.12Å; M88-I90 VanDerWaalsContact C-N 3.34Å; M88-I90 PolarHBondContact O-N 2.88Å; M88-Q91 WeakPolarHBondContact O-CB 3.38Å; M88-Q91 PolarHBondContact O-N 3.45Å; M88-Q91 VanDerWaalsContact O-N 3.17Å; M88-T92 PolarHBondContact O-N 3.16Å; M88-T92 PolarHBondContact O-OG1 2.97Å; M88-T92 VanDerWaalsContact O-OG1 3.12Å
89K90.1Very high91.4Very high104 Ų10474.2 Ų74.245%0.45241%0.409SS..Hα-helixtrans-56.6-46.7174.6-73.9178.6-179.1-1780111.1A85 L86 Q91 T92 L93 M143A85-K89 WeakPolarHBondContact O-CG 3.45Å; A85-K89 PolarHBondContact O-N 3.03Å; L86-K89 HydrophobicContact CD2-CD 4.46Å; L86-K89 WeakPolarHBondContact O-CB 3.5Å; L86-K89 PolarHBondContact O-N 3.02Å; K89-Q91 VanDerWaalsContact C-N 3.34Å; K89-Q91 PolarHBondContact O-N 3.43Å; K89-T92 WeakPolarHBondContact O-CB 3.34Å; K89-T92 PolarHBondContact O-N 3.25Å; K89-L93 VanDerWaalsContact O-CG 3.31Å; K89-L93 WeakPolarHBondContact O-CG 3.34Å; K89-L93 PolarHBondContact O-N 3.18Å; K89-M143 PolarHBondContact NZ-SD 3.33Å
90I90.7Very high91.1Very high36 Ų3671.2 Ų71.219%0.18540%0.398CS..Hα-helixtrans-63-39.5177.2-68.3-178.7000112L15 I22 L86 S87 M88 T92 L93 K94L15-I90 HydrophobicContact CD1-CG2 3.67Å; L15-I90 HydrophobicContact CG-CG2 3.8Å; I22-I90 HydrophobicContact CD1-CD1 3.43Å; I22-I90 VanDerWaalsContact CD1-CD1 3.43Å; L86-I90 WeakPolarHBondContact O-CG1 3.47Å; L86-I90 PolarHBondContact O-N 3.1Å; S87-I90 PolarHBondContact O-N 3.3Å; M88-I90 VanDerWaalsContact C-N 3.34Å; M88-I90 PolarHBondContact O-N 2.88Å; I90-T92 VanDerWaalsContact C-N 3.33Å; I90-L93 WeakPolarHBondContact O-CB 3.45Å; I90-L93 PolarHBondContact O-N 3.23Å; I90-K94 PolarHBondContact O-N 3.04Å
91Q90.8Very high90.8Very high141 Ų14171.7 Ų71.766%0.65941%0.408SS*.Hα-helixtrans-62.5-42174.7-179.4172.1-22.200111.7S87 M88 K89 K94 S95S87-Q91 PolarHBondContact O-N 3.43Å; M88-Q91 WeakPolarHBondContact O-CB 3.38Å; M88-Q91 PolarHBondContact O-N 3.45Å; M88-Q91 VanDerWaalsContact O-N 3.17Å; K89-Q91 VanDerWaalsContact C-N 3.34Å; K89-Q91 PolarHBondContact O-N 3.43Å; Q91-K94 WeakPolarHBondContact O-CB 3.32Å; Q91-K94 PolarHBondContact O-N 2.88Å; Q91-S95 PolarHBondContact O-N 2.99Å
92T91.3Very high90.5Very high87 Ų8770.9 Ų70.953%0.53441%0.405SS..Hα-helixtrans-62.8-45.6173.5-58.10000111M88 K89 I90 K94 S95 T96M88-T92 PolarHBondContact O-N 3.16Å; M88-T92 PolarHBondContact O-OG1 2.97Å; M88-T92 VanDerWaalsContact O-OG1 3.12Å; K89-T92 WeakPolarHBondContact O-CB 3.34Å; K89-T92 PolarHBondContact O-N 3.25Å; I90-T92 VanDerWaalsContact C-N 3.33Å; T92-K94 VanDerWaalsContact C-N 3.31Å; T92-K94 PolarHBondContact O-N 3.33Å; T92-S95 WeakPolarHBondContact O-CB 3.46Å; T92-S95 PolarHBondContact O-N 2.91Å; T92-S95 VanDerWaalsContact O-N 3.07Å; T92-T96 PolarHBondContact O-N 3.43Å; T92-T96 PolarHBondContact O-OG1 2.82Å; T92-T96 VanDerWaalsContact O-OG1 3.08Å
93L87.6Confident90.2Very high65 Ų6571.2 Ų71.234%0.3441%0.405SS..Hα-helixtrans-56.3-44.3175.3-69.9176.9000112K89 I90 S95 T96 A97 M136K89-L93 VanDerWaalsContact O-CG 3.31Å; K89-L93 WeakPolarHBondContact O-CG 3.34Å; K89-L93 PolarHBondContact O-N 3.18Å; I90-L93 WeakPolarHBondContact O-CB 3.45Å; I90-L93 PolarHBondContact O-N 3.23Å; L93-S95 PolarHBondContact O-N 2.85Å; L93-T96 PolarHBondContact O-N 2.9Å; L93-A97 WeakPolarHBondContact O-CB 3.27Å; L93-A97 PolarHBondContact O-N 3.01Å; L93-M136 HydrophobicContact CD2-CE 3.07Å
94K88.6Confident89.9Confident120 Ų12076 Ų7652%0.52243%0.425SS..Hα-helixtrans-58.8-48.2174.6-170.1-171.6179.8179.10111.1L15 I90 Q91 T92 A97 T98L15-K94 HydrophobicContact CD1-CB 3.78Å; L15-K94 HydrophobicContact CD1-CG 4.31Å; L15-K94 HydrophobicContact CD2-CB 4.08Å; L15-K94 HydrophobicContact CD2-CD 3.71Å; L15-K94 HydrophobicContact CD2-CG 3.9Å; I90-K94 PolarHBondContact O-N 3.04Å; Q91-K94 WeakPolarHBondContact O-CB 3.32Å; Q91-K94 PolarHBondContact O-N 2.88Å; T92-K94 VanDerWaalsContact C-N 3.31Å; T92-K94 PolarHBondContact O-N 3.33Å; K94-A97 PolarHBondContact O-N 2.88Å; K94-T98 WeakPolarHBondContact O-CG2 3.46Å; K94-T98 PolarHBondContact O-N 3.06Å; K94-T98 PolarHBondContact O-OG1 2.88Å
95S90.2Very high89.7Confident67 Ų6779.1 Ų79.147%0.46944%0.436SS..Hα-helixtrans-62.5-45.3-179.6-172.70000111.5Q91 T92 L93 A97 T98 M99Q91-S95 PolarHBondContact O-N 2.99Å; T92-S95 WeakPolarHBondContact O-CB 3.46Å; T92-S95 PolarHBondContact O-N 2.91Å; T92-S95 VanDerWaalsContact O-N 3.07Å; L93-S95 PolarHBondContact O-N 2.85Å; S95-A97 PolarHBondContact O-N 2.67Å; S95-T98 WeakPolarHBondContact CA-OG1 3.48Å; S95-T98 PolarHBondContact O-N 2.89Å; S95-T98 PolarHBondContact O-OG1 3.35Å; S95-M99 WeakPolarHBondContact O-CB 3.49Å; S95-M99 PolarHBondContact O-N 3.28Å
96T89Confident89.4Confident62 Ų6281.1 Ų81.138%0.3845%0.445SS..Hα-helixtrans-60.1-43.6175.2-57.40000111.6T92 L93 T98 M99 A100T92-T96 PolarHBondContact O-N 3.43Å; T92-T96 PolarHBondContact O-OG1 2.82Å; T92-T96 VanDerWaalsContact O-OG1 3.08Å; L93-T96 PolarHBondContact O-N 2.9Å; T96-T98 PolarHBondContact O-N 3.34Å; T96-M99 PolarHBondContact O-N 3.04Å; T96-A100 WeakPolarHBondContact O-CB 3.48Å; T96-A100 PolarHBondContact O-N 2.87Å
97A87.8Confident89.1Confident61 Ų6177.8 Ų77.850%0.50443%0.428SS..Hα-helixtrans-62.8-41.8175.800000112L93 K94 S95 A100 S101L93-A97 WeakPolarHBondContact O-CB 3.27Å; L93-A97 PolarHBondContact O-N 3.01Å; K94-A97 PolarHBondContact O-N 2.88Å; S95-A97 PolarHBondContact O-N 2.67Å; A97-A100 PolarHBondContact O-N 3.04Å; A97-S101 PolarHBondContact O-N 3.45Å
98T89.6Confident88.7Confident74 Ų7478.7 Ų78.745%0.45443%0.429SS..Hα-helixtrans-65-39.5175.256.90000112.1K94 S95 T96 S101 A102K94-T98 WeakPolarHBondContact O-CG2 3.46Å; K94-T98 PolarHBondContact O-N 3.06Å; K94-T98 PolarHBondContact O-OG1 2.88Å; S95-T98 WeakPolarHBondContact CA-OG1 3.48Å; S95-T98 PolarHBondContact O-N 2.89Å; S95-T98 PolarHBondContact O-OG1 3.35Å; T96-T98 PolarHBondContact O-N 3.34Å; T98-S101 PolarHBondContact O-N 3.32Å; T98-S101 PolarHBondContact O-OG 3.01Å; T98-A102 WeakPolarHBondContact O-CB 3.45Å; T98-A102 PolarHBondContact O-N 3.03Å
99M86.7Confident88.3Confident107 Ų10777.3 Ų77.353%0.52743%0.427SS..Hα-helixtrans-64.8-44.8176.1-174.7177.4-68.500111.2S95 T96 S101 A102 M103S95-M99 WeakPolarHBondContact O-CB 3.49Å; S95-M99 PolarHBondContact O-N 3.28Å; T96-M99 PolarHBondContact O-N 3.04Å; M99-S101 VanDerWaalsContact C-N 3.31Å; M99-S101 PolarHBondContact O-N 3.28Å; M99-A102 PolarHBondContact O-N 3.15Å; M99-M103 HydrophobicContact CG-CE 3.88Å; M99-M103 HydrophobicContact CG-SD 4.3Å; M99-M103 WeakPolarHBondContact O-CB 3.32Å; M99-M103 WeakPolarHBondContact O-CG 3.4Å; M99-M103 PolarHBondContact O-N 3.38Å; M99-M103 HydrophobicContact SD-CE 3.96Å
100A87.6Confident87.7Confident23 Ų2377.5 Ų77.519%0.1943%0.431CS..Hα-helixtrans-58.3-43173.800000111.7T96 A97 M103 K104 F129T96-A100 WeakPolarHBondContact O-CB 3.48Å; T96-A100 PolarHBondContact O-N 2.87Å; A97-A100 PolarHBondContact O-N 3.04Å; A100-M103 PolarHBondContact O-N 2.98Å; A100-K104 WeakPolarHBondContact O-CB 3.31Å; A100-K104 PolarHBondContact O-N 3.29Å; A100-F129 HydrophobicContact CB-CE1 4.43Å; A100-F129 HydrophobicContact CB-CE2 3.72Å; A100-F129 HydrophobicContact CB-CZ 3.41Å; A100-F129 VanDerWaalsContact CB-CZ 3.41Å
101S88.3Confident87.1Confident65 Ų6583.1 Ų83.146%0.45545%0.45SS..Hα-helixtrans-63.9-41.5176.280.50000112.2A97 T98 M99 K104 Q105A97-S101 PolarHBondContact O-N 3.45Å; T98-S101 PolarHBondContact O-N 3.32Å; T98-S101 PolarHBondContact O-OG 3.01Å; M99-S101 VanDerWaalsContact C-N 3.31Å; M99-S101 PolarHBondContact O-N 3.28Å; S101-K104 WeakPolarHBondContact O-CB 3.37Å; S101-K104 PolarHBondContact O-N 3.29Å; S101-Q105 WeakPolarHBondContact O-CG 3.49Å; S101-Q105 PolarHBondContact O-N 2.87Å
102A89.3Confident86.4Confident52 Ų5285 Ų8543%0.4346%0.456SS..Hα-helixtrans-66.3-45.9177.600000111.2T98 M99 K104 Q105 V106T98-A102 WeakPolarHBondContact O-CB 3.45Å; T98-A102 PolarHBondContact O-N 3.03Å; M99-A102 PolarHBondContact O-N 3.15Å; A102-K104 VanDerWaalsContact C-N 3.29Å; A102-K104 PolarHBondContact O-N 2.84Å; A102-Q105 PolarHBondContact O-N 3.22Å; A102-Q105 VanDerWaalsContact O-N 3.08Å; A102-V106 WeakPolarHBondContact O-CG2 3.35Å; A102-V106 PolarHBondContact O-N 3.22Å
103M86.7Confident85.7Confident94 Ų9487.4 Ų87.446%0.46346%0.463SS..Hα-helixtrans-58.3-41.3173.6-73.2-179.4173.500111.6M99 A100 Q105 V106 A107M99-M103 HydrophobicContact CG-CE 3.88Å; M99-M103 HydrophobicContact CG-SD 4.3Å; M99-M103 WeakPolarHBondContact O-CB 3.32Å; M99-M103 WeakPolarHBondContact O-CG 3.4Å; M99-M103 PolarHBondContact O-N 3.38Å; M99-M103 HydrophobicContact SD-CE 3.96Å; A100-M103 PolarHBondContact O-N 2.98Å; M103-Q105 PolarHBondContact O-N 3.07Å; M103-V106 PolarHBondContact O-N 3.5Å; M103-A107 VanDerWaalsContact O-CB 3.31Å; M103-A107 WeakPolarHBondContact O-CB 3.39Å; M103-A107 PolarHBondContact O-N 2.83Å
104K88.8Confident84.5Confident127 Ų12789.7 Ų89.755%0.55248%0.475SS*.Hα-helixtrans-62.4-39.9173.8-176.3177180175.60112.1A100 S101 A102 A107 L108A100-K104 WeakPolarHBondContact O-CB 3.31Å; A100-K104 PolarHBondContact O-N 3.29Å; S101-K104 WeakPolarHBondContact O-CB 3.37Å; S101-K104 PolarHBondContact O-N 3.29Å; A102-K104 VanDerWaalsContact C-N 3.29Å; A102-K104 PolarHBondContact O-N 2.84Å; K104-A107 VanDerWaalsContact O-CB 3.28Å; K104-A107 WeakPolarHBondContact O-CB 3.26Å; K104-A107 PolarHBondContact O-N 3.25Å; K104-L108 HydrophobicContact CG-CD1 4.38Å; K104-L108 VanDerWaalsContact O-CG 3.27Å; K104-L108 WeakPolarHBondContact O-CG 3.41Å; K104-L108 PolarHBondContact O-N 3.03Å
105Q89.1Confident83.2Confident118 Ų11888.1 Ų88.155%0.55148%0.484SS*.Hα-helixtrans-68.4-40.7175.9-67.4-60.7-14.800112.5S101 A102 M103 A107 L108 T109S101-Q105 WeakPolarHBondContact O-CG 3.49Å; S101-Q105 PolarHBondContact O-N 2.87Å; A102-Q105 PolarHBondContact O-N 3.22Å; A102-Q105 VanDerWaalsContact O-N 3.08Å; M103-Q105 PolarHBondContact O-N 3.07Å; Q105-A107 VanDerWaalsContact C-N 3.32Å; Q105-A107 PolarHBondContact O-N 3.02Å; Q105-L108 PolarHBondContact O-N 3.36Å; Q105-T109 WeakPolarHBondContact O-CB 3.46Å; Q105-T109 PolarHBondContact O-N 3.32Å; Q105-T109 PolarHBondContact O-OG1 3.43Å
106V88.7Confident81.7Confident78 Ų7890.6 Ų90.647%0.47350%0.497SS..Hα-helixtrans-59.9-44.5171.9173.90000110.2A102 M103 L108 T109 M110A102-V106 WeakPolarHBondContact O-CG2 3.35Å; A102-V106 PolarHBondContact O-N 3.22Å; M103-V106 PolarHBondContact O-N 3.5Å; V106-L108 PolarHBondContact O-N 3.39Å; V106-T109 PolarHBondContact O-N 3.06Å; V106-M110 HydrophobicContact CG1-CE 4.22Å; V106-M110 HydrophobicContact CG1-CG 4.44Å; V106-M110 HydrophobicContact CG1-SD 4.4Å; V106-M110 WeakPolarHBondContact O-CB 3.31Å; V106-M110 PolarHBondContact O-N 3.04Å
107A83.9Confident80.2Confident4 Ų496 Ų963%0.03352%0.52CS..Hα-helixtrans-56.2-48.6175.800000112.8M103 K104 Q105 T109 M110 R111 F122 M126M103-A107 VanDerWaalsContact O-CB 3.31Å; M103-A107 WeakPolarHBondContact O-CB 3.39Å; M103-A107 PolarHBondContact O-N 2.83Å; K104-A107 VanDerWaalsContact O-CB 3.28Å; K104-A107 WeakPolarHBondContact O-CB 3.26Å; K104-A107 PolarHBondContact O-N 3.25Å; Q105-A107 VanDerWaalsContact C-N 3.32Å; Q105-A107 PolarHBondContact O-N 3.02Å; A107-T109 VanDerWaalsContact C-N 3.31Å; A107-M110 PolarHBondContact O-N 2.9Å; A107-R111 VanDerWaalsContact O-CB 3.32Å; A107-R111 WeakPolarHBondContact O-CB 3.31Å; A107-R111 PolarHBondContact O-N 3.05Å; A107-F122 HydrophobicContact CB-CE1 3.52Å; A107-F122 HydrophobicContact CB-CE2 3.88Å; A107-F122 HydrophobicContact CB-CZ 3.05Å; A107-M126 HydrophobicContact CB-CE 4.15Å
108L85.2Confident79.2Confident57 Ų5799.2 Ų99.230%0.29853%0.525SS..Hα-helixtrans-66.1-37.1178.7-70.7172.3000111.1K104 Q105 V106 R111 K112K104-L108 HydrophobicContact CG-CD1 4.38Å; K104-L108 VanDerWaalsContact O-CG 3.27Å; K104-L108 WeakPolarHBondContact O-CG 3.41Å; K104-L108 PolarHBondContact O-N 3.03Å; Q105-L108 PolarHBondContact O-N 3.36Å; V106-L108 PolarHBondContact O-N 3.39Å; L108-R111 PolarHBondContact O-N 3.49Å; L108-K112 WeakPolarHBondContact O-CB 3.49Å; L108-K112 VanDerWaalsContact O-CG 3.22Å; L108-K112 WeakPolarHBondContact O-CG 3.44Å; L108-K112 PolarHBondContact O-N 2.84Å
109T84.2Confident78.1Confident81 Ų81100.4 Ų100.450%0.49753%0.528SS..Hα-helixtrans-68.7-44.1177-54.90000111Q105 V106 A107 K112 M113Q105-T109 WeakPolarHBondContact O-CB 3.46Å; Q105-T109 PolarHBondContact O-N 3.32Å; Q105-T109 PolarHBondContact O-OG1 3.43Å; V106-T109 PolarHBondContact O-N 3.06Å; A107-T109 VanDerWaalsContact C-N 3.31Å; T109-K112 PolarHBondContact O-N 3.06Å; T109-M113 WeakPolarHBondContact O-CB 3.5Å; T109-M113 PolarHBondContact O-N 3.4Å
110M77.4Confident77.7Confident108 Ų108100 Ų10053%0.53253%0.533SS..Hα-helixtrans-61.6-44.4172.2-77.4-172.7171.500111.9V106 A107 K112 M113 N114 F122V106-M110 HydrophobicContact CG1-CE 4.22Å; V106-M110 HydrophobicContact CG1-CG 4.44Å; V106-M110 HydrophobicContact CG1-SD 4.4Å; V106-M110 WeakPolarHBondContact O-CB 3.31Å; V106-M110 PolarHBondContact O-N 3.04Å; A107-M110 PolarHBondContact O-N 2.9Å; M110-K112 VanDerWaalsContact C-N 3.33Å; M110-K112 PolarHBondContact O-N 3.24Å; M110-M113 CarbonylContact O-C 3.56Å; M110-M113 WeakPolarHBondContact O-CA 3.5Å; M110-M113 WeakPolarHBondContact O-CB 3.42Å; M110-M113 PolarHBondContact O-N 2.89Å; M110-M113 VanDerWaalsContact O-N 3.1Å; M110-N114 PolarHBondContact O-N 3.3Å; M110-F122 HydrophobicContact SD-CD2 4.28Å
111R77.8Confident77.1Confident154 Ų154105.1 Ų105.158%0.58155%0.553SS**Hα-helixtrans-63-39.2175.6-174.3-176.8-72.1149.1-4111.7A107 L108 M113 N114A107-R111 VanDerWaalsContact O-CB 3.32Å; A107-R111 WeakPolarHBondContact O-CB 3.31Å; A107-R111 PolarHBondContact O-N 3.05Å; L108-R111 PolarHBondContact O-N 3.49Å; R111-M113 VanDerWaalsContact C-N 3.28Å; R111-N114 VanDerWaalsContact O-CA 3.31Å; R111-N114 WeakPolarHBondContact O-CA 3.43Å; R111-N114 WeakPolarHBondContact O-CB 3.45Å; R111-N114 PolarHBondContact O-N 2.89Å; R111-N114 VanDerWaalsContact O-N 3.11Å
112K77.6Confident76.3Confident182 Ų182104.5 Ų104.579%0.79154%0.542SS*.Hα-helixtrans-66.3-31.4173.2-76.2173.4-178.9-177.70112.1L108 T109 M110 N114L108-K112 WeakPolarHBondContact O-CB 3.49Å; L108-K112 VanDerWaalsContact O-CG 3.22Å; L108-K112 WeakPolarHBondContact O-CG 3.44Å; L108-K112 PolarHBondContact O-N 2.84Å; T109-K112 PolarHBondContact O-N 3.06Å; M110-K112 VanDerWaalsContact C-N 3.33Å; M110-K112 PolarHBondContact O-N 3.24Å; K112-N114 VanDerWaalsContact C-N 3.25Å; K112-N114 PolarHBondContact O-N 3.18Å
113M75.9Confident75.7Confident137 Ų137107.5 Ų107.568%0.67555%0.547SS*.Hα-helixtrans-70.3-21.9171.6-160.8177.3-61.400112.6T109 M110 R111 A115T109-M113 WeakPolarHBondContact O-CB 3.5Å; T109-M113 PolarHBondContact O-N 3.4Å; M110-M113 CarbonylContact O-C 3.56Å; M110-M113 WeakPolarHBondContact O-CA 3.5Å; M110-M113 WeakPolarHBondContact O-CB 3.42Å; M110-M113 PolarHBondContact O-N 2.89Å; M110-M113 VanDerWaalsContact O-N 3.1Å; R111-M113 VanDerWaalsContact C-N 3.28Å; M113-A115 VanDerWaalsContact C-N 3.28Å; M113-A115 PolarHBondContact O-N 3.17Å
114N62.1Low75.6Confident112 Ų112109 Ų10960%0.59955%0.551SS**  trans37.6-27.1169.2-147.919.5000122.5M110 R111 K112M110-N114 PolarHBondContact O-N 3.3Å; R111-N114 VanDerWaalsContact O-CA 3.31Å; R111-N114 WeakPolarHBondContact O-CA 3.43Å; R111-N114 WeakPolarHBondContact O-CB 3.45Å; R111-N114 PolarHBondContact O-N 2.89Å; R111-N114 VanDerWaalsContact O-N 3.11Å; K112-N114 VanDerWaalsContact C-N 3.25Å; K112-N114 PolarHBondContact O-N 3.18Å
115A61.6Low75.2Confident87 Ų87106.4 Ų106.472%0.71955%0.546SS*.SBendtrans-116.4-12.8-153.500000116.7M113M113-A115 VanDerWaalsContact C-N 3.28Å; M113-A115 PolarHBondContact O-N 3.17Å
116T58.8Low74.7Confident120 Ų120103.7 Ų103.774%0.73653%0.534SS*.SBendtrans-143.2102.5-17839.10000112
117M56.9Low74.6Confident176 Ų176105.4 Ų105.487%0.86754%0.538SS*.SBendtrans83.6120.2160.2-51-172.8-178.100117.8
118Q65.9Low74.7Confident128 Ų128109.6 Ų109.660%0.59856%0.557SS**  trans94.133.8158.9-45.8-171.531.100120.7
119L68.1Low74.5Confident99 Ų99110.6 Ų110.652%0.51856%0.559SS.*Hα-helixtrans-57.3-40.7169.2-81.4163000116.2F122 Q123L119-F122 PolarHBondContact O-N 3.4Å; L119-Q123 WeakPolarHBondContact O-CG 3.19Å; L119-Q123 PolarHBondContact O-N 3.24Å; L119-Q123 VanDerWaalsContact O-N 3.12Å
120P76.8Confident74.4Confident97 Ų97112.6 Ų112.663%0.6356%0.563SS**Hα-helixtrans-68.5-41.7-171.9-23.634.5000114.6F122 Q123 K124P120-F122 VanDerWaalsContact C-N 3.31Å; P120-F122 PolarHBondContact O-N 3.02Å; P120-Q123 PolarHBondContact O-N 2.94Å; P120-K124 PolarHBondContact O-N 3.02Å
121Q75.6Confident74.9Confident132 Ų132114.3 Ų114.362%0.61757%0.568SS**Hα-helixtrans-65.4-39.3-179.9-65.3179.420.600110.7K124 V125Q121-K124 WeakPolarHBondContact O-CB 3.39Å; Q121-K124 PolarHBondContact O-N 3.28Å; Q121-V125 WeakPolarHBondContact O-CG2 3.48Å; Q121-V125 PolarHBondContact O-N 3.04Å; Q121-V125 VanDerWaalsContact O-N 3.09Å
122F72Confident75.1Confident51 Ų51113.2 Ų113.222%0.22457%0.569CS.*Hα-helixtrans-68.8-42.6179.2-175.6-93.1000113A107 M110 L119 P120 K124 V125 M126A107-F122 HydrophobicContact CB-CE1 3.52Å; A107-F122 HydrophobicContact CB-CE2 3.88Å; A107-F122 HydrophobicContact CB-CZ 3.05Å; M110-F122 HydrophobicContact SD-CD2 4.28Å; L119-F122 PolarHBondContact O-N 3.4Å; P120-F122 VanDerWaalsContact C-N 3.31Å; P120-F122 PolarHBondContact O-N 3.02Å; F122-K124 PolarHBondContact O-N 3Å; F122-V125 PolarHBondContact O-N 2.88Å; F122-V125 VanDerWaalsContact O-N 3.15Å; F122-M126 HydrophobicContact CE1-CG 3.76Å; F122-M126 HydrophobicContact CZ-CE 4.44Å; F122-M126 HydrophobicContact CZ-CG 3.84Å; F122-M126 PolarHBondContact O-N 3.26Å
123Q77.3Confident75.1Confident115 Ų115106.7 Ų106.754%0.53755%0.549SS..Hα-helixtrans-57.3-39.7173.3-76.2176.9-200111.6L119 P120 M126 M127L119-Q123 WeakPolarHBondContact O-CG 3.19Å; L119-Q123 PolarHBondContact O-N 3.24Å; L119-Q123 VanDerWaalsContact O-N 3.12Å; P120-Q123 PolarHBondContact O-N 2.94Å; Q123-M126 PolarHBondContact O-N 3.2Å; Q123-M127 WeakPolarHBondContact O-CG 3.45Å; Q123-M127 PolarHBondContact O-N 2.91Å
124K84.5Confident75.5Confident125 Ų125105.9 Ų105.954%0.54354%0.543SS..Hα-helixtrans-61.9-44.9175.3-168179.4-179.6-171.60112.1P120 Q121 F122 M126 M127 E128P120-K124 PolarHBondContact O-N 3.02Å; Q121-K124 WeakPolarHBondContact O-CB 3.39Å; Q121-K124 PolarHBondContact O-N 3.28Å; F122-K124 PolarHBondContact O-N 3Å; K124-M126 VanDerWaalsContact C-N 3.32Å; K124-M126 PolarHBondContact O-N 3.37Å; K124-M127 PolarHBondContact O-N 3.31Å; K124-E128 WeakPolarHBondContact CE-OE1 3.36Å; K124-E128 HydrophobicContact CG-CG 4.48Å; K124-E128 WeakPolarHBondContact O-CB 3.37Å; K124-E128 WeakPolarHBondContact O-CG 3.45Å; K124-E128 PolarHBondContact O-N 3Å
125V80.6Confident76.5Confident74 Ų74102.9 Ų102.945%0.44853%0.53SS..Hα-helixtrans-61.3-39.3176.2174.20000111.7Q121 F122 F129Q121-V125 WeakPolarHBondContact O-CG2 3.48Å; Q121-V125 PolarHBondContact O-N 3.04Å; Q121-V125 VanDerWaalsContact O-N 3.09Å; F122-V125 PolarHBondContact O-N 2.88Å; F122-V125 VanDerWaalsContact O-N 3.15Å; V125-F129 VanDerWaalsContact O-CB 3.26Å; V125-F129 WeakPolarHBondContact O-CB 3.5Å; V125-F129 PolarHBondContact O-N 3.39Å
126M78.5Confident77.5Confident60 Ų60102.8 Ų102.830%0.29652%0.515SS..Hα-helixtrans-64.2-46.7174.4-99.7-89.8-177.200112.3A107 F122 Q123 K124 E128 F129 E130A107-M126 HydrophobicContact CB-CE 4.15Å; F122-M126 HydrophobicContact CE1-CG 3.76Å; F122-M126 HydrophobicContact CZ-CE 4.44Å; F122-M126 HydrophobicContact CZ-CG 3.84Å; F122-M126 PolarHBondContact O-N 3.26Å; Q123-M126 PolarHBondContact O-N 3.2Å; K124-M126 VanDerWaalsContact C-N 3.32Å; K124-M126 PolarHBondContact O-N 3.37Å; M126-E128 VanDerWaalsContact C-N 3.35Å; M126-E128 PolarHBondContact O-N 3.41Å; M126-F129 WeakPolarHBondContact O-CB 3.5Å; M126-F129 PolarHBondContact O-N 2.91Å; M126-E130 WeakPolarHBondContact O-CG 3.48Å; M126-E130 PolarHBondContact O-N 3.19Å
127M85.6Confident78.6Confident115 Ų115103.2 Ų103.257%0.56751%0.509SS*.Hα-helixtrans-63.6-40.7177-71.9-175.2-69.100112Q123 K124 F129 E130 K131Q123-M127 WeakPolarHBondContact O-CG 3.45Å; Q123-M127 PolarHBondContact O-N 2.91Å; K124-M127 PolarHBondContact O-N 3.31Å; M127-F129 VanDerWaalsContact C-N 3.33Å; M127-E130 PolarHBondContact O-N 3.43Å; M127-K131 WeakPolarHBondContact O-CB 3.29Å; M127-K131 PolarHBondContact O-N 3.17Å
128E85.6Confident79.8Confident91 Ų9199.4 Ų99.443%0.42549%0.49SS..Hα-helixtrans-64.5-38.5174.7-74.9175.7-177.100111.5K124 M126 K131 Q132K124-E128 WeakPolarHBondContact CE-OE1 3.36Å; K124-E128 HydrophobicContact CG-CG 4.48Å; K124-E128 WeakPolarHBondContact O-CB 3.37Å; K124-E128 WeakPolarHBondContact O-CG 3.45Å; K124-E128 PolarHBondContact O-N 3Å; M126-E128 VanDerWaalsContact C-N 3.35Å; M126-E128 PolarHBondContact O-N 3.41Å; E128-K131 PolarHBondContact O-N 2.83Å; E128-Q132 WeakPolarHBondContact O-CB 3.27Å; E128-Q132 VanDerWaalsContact O-CG 3.26Å; E128-Q132 WeakPolarHBondContact O-CG 3.38Å; E128-Q132 PolarHBondContact O-N 3.12Å
129F81.7Confident80.5Confident79 Ų7999.6 Ų99.635%0.34649%0.489SS..Hα-helixtrans-64.8-46.6175.3177.6-93000112.1A100 V125 M126 M127 K131 Q132 A133A100-F129 HydrophobicContact CB-CE1 4.43Å; A100-F129 HydrophobicContact CB-CE2 3.72Å; A100-F129 HydrophobicContact CB-CZ 3.41Å; A100-F129 VanDerWaalsContact CB-CZ 3.41Å; V125-F129 VanDerWaalsContact O-CB 3.26Å; V125-F129 WeakPolarHBondContact O-CB 3.5Å; V125-F129 PolarHBondContact O-N 3.39Å; M126-F129 WeakPolarHBondContact O-CB 3.5Å; M126-F129 PolarHBondContact O-N 2.91Å; M127-F129 VanDerWaalsContact C-N 3.33Å; F129-K131 VanDerWaalsContact C-N 3.33Å; F129-K131 PolarHBondContact O-N 3.21Å; F129-Q132 PolarHBondContact O-N 2.9Å; F129-A133 WeakPolarHBondContact O-CB 3.39Å; F129-A133 PolarHBondContact O-N 3.02Å
130E81.9Confident81Confident122 Ų122100.5 Ų100.557%0.5749%0.49SS*.Hα-helixtrans-58.6-45.8175.8-74.2175.1178.800111.1M126 M127 Q132 A133 E134M126-E130 WeakPolarHBondContact O-CG 3.48Å; M126-E130 PolarHBondContact O-N 3.19Å; M127-E130 PolarHBondContact O-N 3.43Å; E130-Q132 VanDerWaalsContact C-N 3.35Å; E130-Q132 PolarHBondContact O-N 3.42Å; E130-A133 PolarHBondContact O-N 3.16Å; E130-E134 PolarHBondContact O-N 3.23Å
131K88.7Confident81.1Confident145 Ų145100.4 Ų100.463%0.6349%0.485SS*.Hα-helixtrans-61.7-40.9175.3-175.8177.7-179.6176.40112.6M127 E128 F129 T135M127-K131 WeakPolarHBondContact O-CB 3.29Å; M127-K131 PolarHBondContact O-N 3.17Å; E128-K131 PolarHBondContact O-N 2.83Å; F129-K131 VanDerWaalsContact C-N 3.33Å; F129-K131 PolarHBondContact O-N 3.21Å; K131-T135 WeakPolarHBondContact O-CB 3.41Å; K131-T135 PolarHBondContact O-N 2.95Å; K131-T135 PolarHBondContact O-OG1 3.41Å
132Q81.1Confident81.3Confident131 Ų13199.3 Ų99.361%0.61248%0.481SS*.Hα-helixtrans-67.5-37.4177.2-78.8172.8-4.600112E128 F129 E130 T135 M136E128-Q132 WeakPolarHBondContact O-CB 3.27Å; E128-Q132 VanDerWaalsContact O-CG 3.26Å; E128-Q132 WeakPolarHBondContact O-CG 3.38Å; E128-Q132 PolarHBondContact O-N 3.12Å; F129-Q132 PolarHBondContact O-N 2.9Å; E130-Q132 VanDerWaalsContact C-N 3.35Å; E130-Q132 PolarHBondContact O-N 3.42Å; Q132-T135 PolarHBondContact O-N 2.97Å; Q132-M136 VanDerWaalsContact O-CB 3.27Å; Q132-M136 WeakPolarHBondContact O-CB 3.26Å; Q132-M136 PolarHBondContact O-N 3.09Å
133A78.4Confident81.4Confident45 Ų45100.2 Ų100.237%0.37249%0.487SS..Hα-helixtrans-64.7-45.2175.500000111.7F129 E130 M136 E137F129-A133 WeakPolarHBondContact O-CB 3.39Å; F129-A133 PolarHBondContact O-N 3.02Å; E130-A133 PolarHBondContact O-N 3.16Å; A133-M136 WeakPolarHBondContact O-CB 3.36Å; A133-M136 PolarHBondContact O-N 2.73Å; A133-E137 PolarHBondContact O-N 2.95Å
134E84Confident81.3Confident119 Ų11997.7 Ų97.756%0.55648%0.482SS*.Hα-helixtrans-63.5-43174.8-176.1-178.4-166.300111.8E130 M136 E137 M138E130-E134 PolarHBondContact O-N 3.23Å; E134-M136 PolarHBondContact O-N 2.94Å; E134-E137 PolarHBondContact O-N 3.46Å; E134-M138 HydrophobicContact CG-CE 4.5Å; E134-M138 PolarHBondContact O-N 2.85Å
135T84.1Confident81.3Confident50 Ų5096.4 Ų96.431%0.30748%0.481SS..Hα-helixtrans-62.4-32.5175.6-54.80000111.7K131 Q132 K139K131-T135 WeakPolarHBondContact O-CB 3.41Å; K131-T135 PolarHBondContact O-N 2.95Å; K131-T135 PolarHBondContact O-OG1 3.41Å; Q132-T135 PolarHBondContact O-N 2.97Å; T135-K139 HydrophobicContact CG2-CD 4.45Å; T135-K139 WeakPolarHBondContact O-CB 3.39Å; T135-K139 VanDerWaalsContact O-CG 3.26Å; T135-K139 WeakPolarHBondContact O-CG 3.4Å; T135-K139 PolarHBondContact O-N 3.18Å
136M81.3Confident81.1Confident85 Ų8597.4 Ų97.442%0.41949%0.487SS..Hα-helixtrans-72.4-37177.4-174.9169.5-176.600112.2L93 Q132 A133 E134 K139 Q140L93-M136 HydrophobicContact CD2-CE 3.07Å; Q132-M136 VanDerWaalsContact O-CB 3.27Å; Q132-M136 WeakPolarHBondContact O-CB 3.26Å; Q132-M136 PolarHBondContact O-N 3.09Å; A133-M136 WeakPolarHBondContact O-CB 3.36Å; A133-M136 PolarHBondContact O-N 2.73Å; E134-M136 PolarHBondContact O-N 2.94Å; M136-K139 PolarHBondContact O-N 3.35Å; M136-Q140 PolarHBondContact O-N 3.37Å
137E81.5Confident80.6Confident129 Ų12998.1 Ų98.160%0.60349%0.491SS*.Hα-helixtrans-62.7-49.9172.3-170.8168.3-160.800110.8A133 E134 K139 Q140 D141A133-E137 PolarHBondContact O-N 2.95Å; E134-E137 PolarHBondContact O-N 3.46Å; E137-K139 VanDerWaalsContact C-N 3.27Å; E137-K139 PolarHBondContact O-N 3.01Å; E137-Q140 WeakPolarHBondContact O-CA 3.14Å; E137-Q140 VanDerWaalsContact O-CB 3.31Å; E137-Q140 WeakPolarHBondContact O-CB 3.47Å; E137-Q140 PolarHBondContact O-N 3.25Å; E137-D141 PolarHBondContact O-N 3.42Å; E137-D141 VanDerWaalsContact O-N 3.07Å
138M81.9Confident79.9Confident96 Ų9697.7 Ų97.747%0.47349%0.491SS..Hα-helixtrans-58.1-38174.4-69.9-171.6-71.700113E134 Q140 D141 M142E134-M138 HydrophobicContact CG-CE 4.5Å; E134-M138 PolarHBondContact O-N 2.85Å; M138-Q140 VanDerWaalsContact C-N 3.29Å; M138-Q140 PolarHBondContact O-N 2.93Å; M138-D141 PolarHBondContact O-N 3.49Å; M138-M142 WeakPolarHBondContact O-CG 3.45Å; M138-M142 PolarHBondContact O-N 3.08Å
139K80.7Confident79.3Confident131 Ų13199.3 Ų99.357%0.5750%0.502SS*.Hα-helixtrans-68.3-29.6175.5-78.9177.1178.9-174.20112.7T135 M136 E137 M142 M143T135-K139 HydrophobicContact CG2-CD 4.45Å; T135-K139 WeakPolarHBondContact O-CB 3.39Å; T135-K139 VanDerWaalsContact O-CG 3.26Å; T135-K139 WeakPolarHBondContact O-CG 3.4Å; T135-K139 PolarHBondContact O-N 3.18Å; M136-K139 PolarHBondContact O-N 3.35Å; E137-K139 VanDerWaalsContact C-N 3.27Å; E137-K139 PolarHBondContact O-N 3.01Å; K139-M142 HydrophobicContact CB-CE 4.43Å; K139-M142 HydrophobicContact CG-CE 3.89Å; K139-M143 VanDerWaalsContact O-CB 3.27Å; K139-M143 WeakPolarHBondContact O-CB 3.47Å; K139-M143 PolarHBondContact O-N 3.07Å
140Q79Confident78.4Confident118 Ų11898.9 Ų98.955%0.55151%0.514SS*.Hα-helixtrans-70.4-39.5175.3-166.4169.8-82.900110.6M136 E137 M138 M143 S144M136-Q140 PolarHBondContact O-N 3.37Å; E137-Q140 WeakPolarHBondContact O-CA 3.14Å; E137-Q140 VanDerWaalsContact O-CB 3.31Å; E137-Q140 WeakPolarHBondContact O-CB 3.47Å; E137-Q140 PolarHBondContact O-N 3.25Å; M138-Q140 VanDerWaalsContact C-N 3.29Å; M138-Q140 PolarHBondContact O-N 2.93Å; Q140-M143 PolarHBondContact O-N 3.03Å; Q140-S144 PolarHBondContact O-N 2.93Å
141D80.2Confident77.2Confident96 Ų9699.3 Ų99.351%0.51352%0.519SS..Hα-helixtrans-64.4-50.2175.6-63.7-17000111.1E137 M138 M143 S144 D145E137-D141 PolarHBondContact O-N 3.42Å; E137-D141 VanDerWaalsContact O-N 3.07Å; M138-D141 PolarHBondContact O-N 3.49Å; D141-M143 PolarHBondContact O-N 2.88Å; D141-S144 WeakPolarHBondContact O-CA 3.4Å; D141-S144 WeakPolarHBondContact O-CB 3.46Å; D141-S144 PolarHBondContact O-N 3.47Å; D141-D145 PolarHBondContact O-N 3.02Å; D141-D145 VanDerWaalsContact O-N 3.16Å
142M78.2Confident75.4Confident108 Ų10895.2 Ų95.253%0.53252%0.517SS..Hα-helixtrans-61.3-32.8175.3-68.8-175.2-64.800112.9M138 K139 S144 D145 V146M138-M142 WeakPolarHBondContact O-CG 3.45Å; M138-M142 PolarHBondContact O-N 3.08Å; K139-M142 HydrophobicContact CB-CE 4.43Å; K139-M142 HydrophobicContact CG-CE 3.89Å; M142-S144 VanDerWaalsContact C-N 3.31Å; M142-D145 PolarHBondContact O-N 2.83Å; M142-V146 WeakPolarHBondContact O-CG2 3.26Å; M142-V146 PolarHBondContact O-N 3.2Å; M142-V146 VanDerWaalsContact O-N 3.12Å
143M74.2Confident74.1Confident71 Ų7196.4 Ų96.435%0.3553%0.528SS..Hα-helixtrans-70.4-30.2175.4-165.5174.688.800111.5K89 K139 Q140 D141 I147K89-M143 PolarHBondContact NZ-SD 3.33Å; K139-M143 VanDerWaalsContact O-CB 3.27Å; K139-M143 WeakPolarHBondContact O-CB 3.47Å; K139-M143 PolarHBondContact O-N 3.07Å; Q140-M143 PolarHBondContact O-N 3.03Å; D141-M143 PolarHBondContact O-N 2.88Å; M143-I147 HydrophobicContact CE-CD1 4.11Å; M143-I147 HydrophobicContact CG-CD1 4.03Å; M143-I147 HydrophobicContact CG-CG1 4.49Å; M143-I147 WeakPolarHBondContact O-CB 3.38Å; M143-I147 WeakPolarHBondContact O-CD1 3.34Å; M143-I147 WeakPolarHBondContact O-CG1 3.49Å; M143-I147 PolarHBondContact O-N 3.45Å; M143-I147 VanDerWaalsContact O-N 3.1Å
144S76.4Confident72.9Confident62 Ų62100.5 Ų100.543%0.43454%0.539SS..Hα-helixtrans-62-49.1171.4-161.20000110.4Q140 D141 M142 V146 I147 D148Q140-S144 PolarHBondContact O-N 2.93Å; D141-S144 WeakPolarHBondContact O-CA 3.4Å; D141-S144 WeakPolarHBondContact O-CB 3.46Å; D141-S144 PolarHBondContact O-N 3.47Å; M142-S144 VanDerWaalsContact C-N 3.31Å; S144-V146 PolarHBondContact O-N 3.49Å; S144-I147 PolarHBondContact O-N 2.9Å; S144-D148 PolarHBondContact O-N 3.41Å
145D82.9Confident71.3Confident97 Ų97100.7 Ų100.752%0.51954%0.544SS..Hα-helixtrans-60-44.3-179.7-59.2-22.2000111.9D141 M142 I147 D148 D149D141-D145 PolarHBondContact O-N 3.02Å; D141-D145 VanDerWaalsContact O-N 3.16Å; M142-D145 PolarHBondContact O-N 2.83Å; D145-I147 VanDerWaalsContact C-N 3.35Å; D145-I147 PolarHBondContact O-N 3.43Å; D145-D148 PolarHBondContact O-N 2.88Å; D145-D149 PolarHBondContact O-N 3.33Å
146V76.6Confident69.7Low95 Ų95106 Ų10658%0.57657%0.571SS**Hα-helixtrans-67.8-33.6178.9173.70000112.5M142 S144 A150M142-V146 WeakPolarHBondContact O-CG2 3.26Å; M142-V146 PolarHBondContact O-N 3.2Å; M142-V146 VanDerWaalsContact O-N 3.12Å; S144-V146 PolarHBondContact O-N 3.49Å; V146-A150 VanDerWaalsContact O-CB 3.26Å; V146-A150 WeakPolarHBondContact O-CB 3.41Å; V146-A150 PolarHBondContact O-N 3.27Å
147I67.7Low68.4Low75 Ų75109.2 Ų109.239%0.38559%0.588SS.*Hα-helixtrans-68.7-39.7175.6-72.7168000110.1M143 S144 D145 A150 I151M143-I147 HydrophobicContact CE-CD1 4.11Å; M143-I147 HydrophobicContact CG-CD1 4.03Å; M143-I147 HydrophobicContact CG-CG1 4.49Å; M143-I147 WeakPolarHBondContact O-CB 3.38Å; M143-I147 WeakPolarHBondContact O-CD1 3.34Å; M143-I147 WeakPolarHBondContact O-CG1 3.49Å; M143-I147 PolarHBondContact O-N 3.45Å; M143-I147 VanDerWaalsContact O-N 3.1Å; S144-I147 PolarHBondContact O-N 2.9Å; D145-I147 VanDerWaalsContact C-N 3.35Å; D145-I147 PolarHBondContact O-N 3.43Å; I147-A150 PolarHBondContact O-N 2.86Å; I147-I151 HydrophobicContact CG2-CD1 3.84Å; I147-I151 WeakPolarHBondContact O-CD1 3.45Å; I147-I151 VanDerWaalsContact O-CG1 3.32Å; I147-I151 WeakPolarHBondContact O-CG1 3.34Å; I147-I151 PolarHBondContact O-N 2.84Å
148D71.7Confident67.4Low106 Ų106106.3 Ų106.357%0.56758%0.575SS**Hα-helixtrans-64.5-41.8177.7-71.6-20000111.4S144 D145S144-D148 PolarHBondContact O-N 3.41Å; D145-D148 PolarHBondContact O-N 2.88Å
149D74.2Confident66.4Low125 Ų125105.9 Ų105.967%0.66857%0.574SS**Hα-helixtrans-67-42175.8-73.3-16.1000112.6D145 I151 G152D145-D149 PolarHBondContact O-N 3.33Å; D149-I151 VanDerWaalsContact C-N 3.29Å; D149-I151 PolarHBondContact O-N 3.45Å; D149-G152 PolarHBondContact O-N 3.48Å
150A61Low66.1Low71 Ų71102.3 Ų102.359%0.58757%0.565SS**Hα-helixtrans-71-20.2-174.300000114.3V146 I147V146-A150 VanDerWaalsContact O-CB 3.26Å; V146-A150 WeakPolarHBondContact O-CB 3.41Å; V146-A150 PolarHBondContact O-N 3.27Å; I147-A150 PolarHBondContact O-N 2.86Å
151I57.1Low66.3Low131 Ų131102.8 Ų102.867%0.67257%0.568SS**Hα-helixtrans-80.8-19.2178.7-69169000111.6I147 D149I147-I151 HydrophobicContact CG2-CD1 3.84Å; I147-I151 WeakPolarHBondContact O-CD1 3.45Å; I147-I151 VanDerWaalsContact O-CG1 3.32Å; I147-I151 WeakPolarHBondContact O-CG1 3.34Å; I147-I151 PolarHBondContact O-N 2.84Å; D149-I151 VanDerWaalsContact C-N 3.29Å; D149-I151 PolarHBondContact O-N 3.45Å
152G52.1Low66.6Low58 Ų58101.6 Ų101.660%0.59857%0.571SS**SBendtrans-74.3-28-170.600000117.1D149D149-G152 PolarHBondContact O-N 3.48Å
153D52.8Low66.8Low157 Ų15799 Ų9984%0.8456%0.561SS**SBendtrans-117.615.7-154.5-77.3-11000116.6
154Q52.3Low67.4Low130 Ų13095.8 Ų95.861%0.60755%0.546SS*.  trans-99.56-166.7-157.4157.527.500117.4
155D50.3Low67.9Low123 Ų12396.6 Ų96.666%0.65855%0.545SS*.SBendtrans-98.2-5.4-164.2-76.1-26.3000118.2K75K75-D155 IonicContact NZ-OD1 3.41Å; K75-D155 PolarHBondContact NZ-OD1 2.68Å
156D51Low68.2Low162 Ų16297.7 Ų97.787%0.86655%0.545SS*.SBendtrans-106.13.3-161.1-82.3-16.3000119.5
157I54.5Low68.7Low152 Ų15293.8 Ų93.878%0.77952%0.522SS*.SBendtrans-110.6-14.4-169.7-57179.9000115.6D159I157-D159 PolarHBondContact O-N 3.19Å
158E60Low69.6Low69 Ų6990.4 Ų90.432%0.32251%0.505SS..THydrogen-bonded Turntrans-80-9.4-167.2-85.2172.4143.300116.8V67 S71 S160V67-E158 HydrophobicContact CG1-CB 4.46Å; V67-E158 WeakPolarHBondContact CG1-O 3.48Å; S71-E158 WeakPolarHBondContact CB-OE1 3.5Å; S71-E158 WeakPolarHBondContact CB-OE2 3.25Å; S71-E158 PolarHBondContact OG-OE1 3.4Å; S71-E158 PolarHBondContact OG-OE2 2.7Å; E158-S160 PolarHBondContact O-N 3.15Å
159D62Low70.5Confident87 Ų8792.2 Ų92.247%0.46551%0.51SS..THydrogen-bonded Turntrans-92.710-171.1-88.85.6000115.3R68 I157R68-D159 IonicContact CZ-OD1 3.48Å; R68-D159 IonicContact CZ-OD2 3.34Å; R68-D159 IonicContact NE-OD1 2.67Å; R68-D159 PolarHBondContact NE-OD1 2.94Å; R68-D159 IonicContact NE-OD2 3.61Å; R68-D159 PolarHBondContact NE-OD2 3.36Å; R68-D159 VanDerWaalsContact NH2-CG 3.34Å; R68-D159 IonicContact NH2-OD1 2.84Å; R68-D159 PolarHBondContact NH2-OD1 3.29Å; R68-D159 IonicContact NH2-OD2 3Å; R68-D159 PolarHBondContact NH2-OD2 3.07Å; I157-D159 PolarHBondContact O-N 3.19Å
160S74.4Confident71.2Confident55 Ų5592.4 Ų92.439%0.38551%0.506SS..  trans-67.6143-17875.50000113.6E158 A162 V163 V164E158-S160 PolarHBondContact O-N 3.15Å; S160-A162 PolarHBondContact O-N 2.85Å; S160-V163 PolarHBondContact O-N 3.1Å; S160-V163 VanDerWaalsContact O-N 3.09Å; S160-V163 WeakPolarHBondContact OG-CG2 3.42Å; S160-V164 PolarHBondContact O-N 2.97Å
161E82.5Confident72.4Confident128 Ų12890.9 Ų90.960%0.59849%0.488SS*.Hα-helixtrans-60.5-28.2177.7-64.4-169.6156.900113.2V163 V164 N165E161-V163 VanDerWaalsContact C-N 3.32Å; E161-V163 PolarHBondContact O-N 3.27Å; E161-V164 WeakPolarHBondContact O-CB 3.44Å; E161-V164 PolarHBondContact O-N 2.88Å; E161-N165 PolarHBondContact O-N 3.22Å
162A85.8Confident73.8Confident71 Ų7187.9 Ų87.959%0.58749%0.489SS*.Hα-helixtrans-61.8-39.5175.400000112.1S160 V164 N165 K166S160-A162 PolarHBondContact O-N 2.85Å; A162-V164 VanDerWaalsContact C-N 3.35Å; A162-N165 PolarHBondContact O-N 3.49Å; A162-K166 PolarHBondContact O-N 3.42Å; A162-K166 VanDerWaalsContact O-N 3.08Å
163V84Confident75.1Confident53 Ų5385.8 Ų85.832%0.32146%0.464SS..Hα-helixtrans-67.7-39.8176.9177.40000110.3V67 S160 E161 K166 V167V67-V163 HydrophobicContact CB-CG1 4.45Å; V67-V163 HydrophobicContact CG1-CG1 3.7Å; V67-V163 HydrophobicContact CG2-CG1 3.79Å; S160-V163 PolarHBondContact O-N 3.1Å; S160-V163 VanDerWaalsContact O-N 3.09Å; S160-V163 WeakPolarHBondContact OG-CG2 3.42Å; E161-V163 VanDerWaalsContact C-N 3.32Å; E161-V163 PolarHBondContact O-N 3.27Å; V163-K166 PolarHBondContact O-N 3.33Å; V163-V167 WeakPolarHBondContact O-CG2 3.49Å; V163-V167 PolarHBondContact O-N 3.01Å
164V85.8Confident76.1Confident4 Ų482.7 Ų82.72%0.02445%0.448CS..Hα-helixtrans-61.7-46.3176.11800000111.3R60 A63 K64 S160 E161 A162 K166 V167 L168R60-V164 HydrophobicContact CG-CG1 4.32Å; A63-V164 HydrophobicContact CB-CG1 3.66Å; K64-V164 HydrophobicContact CG-CG2 3.54Å; S160-V164 PolarHBondContact O-N 2.97Å; E161-V164 WeakPolarHBondContact O-CB 3.44Å; E161-V164 PolarHBondContact O-N 2.88Å; A162-V164 VanDerWaalsContact C-N 3.35Å; V164-K166 VanDerWaalsContact C-N 3.33Å; V164-K166 PolarHBondContact O-N 3.38Å; V164-V167 PolarHBondContact O-N 3.19Å; V164-L168 HydrophobicContact CG1-CD1 4.12Å; V164-L168 WeakPolarHBondContact O-CG 3.39Å; V164-L168 PolarHBondContact O-N 3.08Å
165N87.8Confident76.5Confident79 Ų7977.9 Ų77.942%0.42243%0.426SS..Hα-helixtrans-61.9-42.2178.2-69.8-18.5000111.6E161 A162 V167 L168 E169E161-N165 PolarHBondContact O-N 3.22Å; A162-N165 PolarHBondContact O-N 3.49Å; N165-V167 VanDerWaalsContact C-N 3.33Å; N165-V167 PolarHBondContact O-N 3.41Å; N165-L168 WeakPolarHBondContact O-CB 3.39Å; N165-L168 PolarHBondContact O-N 2.92Å; N165-L168 VanDerWaalsContact O-N 3.12Å; N165-E169 WeakPolarHBondContact O-CG 3.45Å; N165-E169 PolarHBondContact O-N 2.9Å
166K88.5Confident77.1Confident120 Ų12077.5 Ų77.552%0.52242%0.424SS..Hα-helixtrans-59.4-42.1174.6-171.7-174.7178.6-165.20112.4A162 V163 V164 L168 E169 E170A162-K166 PolarHBondContact O-N 3.42Å; A162-K166 VanDerWaalsContact O-N 3.08Å; V163-K166 PolarHBondContact O-N 3.33Å; V164-K166 VanDerWaalsContact C-N 3.33Å; V164-K166 PolarHBondContact O-N 3.38Å; K166-L168 VanDerWaalsContact C-N 3.3Å; K166-L168 PolarHBondContact O-N 3.38Å; K166-E169 WeakPolarHBondContact O-CB 3.32Å; K166-E169 PolarHBondContact O-N 3.47Å; K166-E170 VanDerWaalsContact CE-OE1 3.23Å; K166-E170 WeakPolarHBondContact CE-OE1 3.28Å; K166-E170 IonicContact NZ-OE1 3.68Å; K166-E170 WeakPolarHBondContact O-CG 3.31Å; K166-E170 PolarHBondContact O-N 2.83Å
167V86.6Confident77.5Confident14 Ų1471.8 Ų71.89%0.08540%0.399CS..Hα-helixtrans-63.1-38.6176.1168.50000111.4L66 V67 V163 V164 N165 E170 L171L66-V167 HydrophobicContact CD2-CG1 3.58Å; L66-V167 HydrophobicContact CG-CG1 4.27Å; V67-V167 HydrophobicContact CG2-CG2 3.73Å; V163-V167 WeakPolarHBondContact O-CG2 3.49Å; V163-V167 PolarHBondContact O-N 3.01Å; V164-V167 PolarHBondContact O-N 3.19Å; N165-V167 VanDerWaalsContact C-N 3.33Å; N165-V167 PolarHBondContact O-N 3.41Å; V167-E170 PolarHBondContact O-N 3.18Å; V167-L171 HydrophobicContact CG1-CD1 4.27Å; V167-L171 VanDerWaalsContact O-CG 3.28Å; V167-L171 WeakPolarHBondContact O-CG 3.27Å; V167-L171 PolarHBondContact O-N 2.98Å
168L88.3Confident77.5Confident4 Ų467.8 Ų67.82%0.02138%0.377CS..Hα-helixtrans-66.6-40.4177-64.9166.9000111.7I47 V59 A63 V164 N165 K166 L171 G172 I173 L175I47-L168 HydrophobicContact CG2-CD2 4.35Å; V59-L168 HydrophobicContact CG1-CD2 3.43Å; V59-L168 VanDerWaalsContact CG1-CD2 3.43Å; A63-L168 HydrophobicContact CB-CD2 3.97Å; A63-L168 HydrophobicContact CB-CG 4.25Å; V164-L168 HydrophobicContact CG1-CD1 4.12Å; V164-L168 WeakPolarHBondContact O-CG 3.39Å; V164-L168 PolarHBondContact O-N 3.08Å; N165-L168 WeakPolarHBondContact O-CB 3.39Å; N165-L168 PolarHBondContact O-N 2.92Å; N165-L168 VanDerWaalsContact O-N 3.12Å; K166-L168 VanDerWaalsContact C-N 3.3Å; K166-L168 PolarHBondContact O-N 3.38Å; L168-L171 PolarHBondContact O-N 3.41Å; L168-G172 PolarHBondContact O-N 3.13Å; L168-I173 PolarHBondContact O-N 3.15Å; L168-L175 HydrophobicContact CB-CD1 4.12Å; L168-L175 HydrophobicContact CD1-CD1 3.69Å; L168-L175 HydrophobicContact CD1-CD2 4.4Å; L168-L175 HydrophobicContact CD2-CD1 4.37Å; L168-L175 HydrophobicContact CG-CD1 4.26Å
169E90.5Very high77.3Confident144 Ų14469 Ų6967%0.67339%0.386SS*.Hα-helixtrans-60.9-46.4171.7-69.7169.9-165.900112N165 K166 L171 G172N165-E169 WeakPolarHBondContact O-CG 3.45Å; N165-E169 PolarHBondContact O-N 2.9Å; K166-E169 WeakPolarHBondContact O-CB 3.32Å; K166-E169 PolarHBondContact O-N 3.47Å; E169-L171 PolarHBondContact O-N 3.1Å; E169-G172 WeakPolarHBondContact O-CA 3.34Å; E169-G172 PolarHBondContact O-N 2.81Å
170E88.4Confident77Confident128 Ų12869.7 Ų69.760%0.59840%0.397SS*.Hα-helixtrans-61.3-31.4177.1-75.4177.7-169.800112.5K166 V167 G172K166-E170 VanDerWaalsContact CE-OE1 3.23Å; K166-E170 WeakPolarHBondContact CE-OE1 3.28Å; K166-E170 IonicContact NZ-OE1 3.68Å; K166-E170 WeakPolarHBondContact O-CG 3.31Å; K166-E170 PolarHBondContact O-N 2.83Å; V167-E170 PolarHBondContact O-N 3.18Å; E170-G172 VanDerWaalsContact C-N 3.25Å; E170-G172 PolarHBondContact O-N 3.33Å
171L86.7Confident76Confident40 Ų4073.6 Ų73.621%0.20941%0.414CS..THydrogen-bonded Turntrans-80.4-4174.3-66.7179.7000113.6T44 I47 L66 V167 L168 E169 I173T44-L171 HydrophobicContact CG2-CD1 4.39Å; T44-L171 HydrophobicContact CG2-CD2 3.52Å; I47-L171 HydrophobicContact CB-CD1 4.41Å; I47-L171 HydrophobicContact CD1-CD1 4.2Å; I47-L171 HydrophobicContact CG2-CD1 3.75Å; L66-L171 HydrophobicContact CD2-CD1 4.04Å; V167-L171 HydrophobicContact CG1-CD1 4.27Å; V167-L171 VanDerWaalsContact O-CG 3.28Å; V167-L171 WeakPolarHBondContact O-CG 3.27Å; V167-L171 PolarHBondContact O-N 2.98Å; L168-L171 PolarHBondContact O-N 3.41Å; E169-L171 PolarHBondContact O-N 3.1Å; L171-I173 VanDerWaalsContact C-N 3.25Å; L171-I173 HydrophobicContact CB-CD1 3.98Å; L171-I173 HydrophobicContact CB-CG1 4.06Å; L171-I173 HydrophobicContact CD1-CD1 4.31Å; L171-I173 PolarHBondContact O-N 3.33Å
172G85.5Confident74.4Confident67 Ų6772 Ų7269%0.69141%0.409SS*.THydrogen-bonded Turntrans69.123.8-174.900000113.1L168 E169 E170 D174L168-G172 PolarHBondContact O-N 3.13Å; E169-G172 WeakPolarHBondContact O-CA 3.34Å; E169-G172 PolarHBondContact O-N 2.81Å; E170-G172 VanDerWaalsContact C-N 3.25Å; E170-G172 PolarHBondContact O-N 3.33Å; G172-D174 PolarHBondContact O-N 3.09Å
173I80.2Confident72.6Confident15 Ų1573.9 Ų73.98%0.07742%0.415CS..  trans-9884.2177-56.1171.9000107I47 R48 A51 L168 L171 L175I47-I173 HydrophobicContact CG2-CD1 3.38Å; R48-I173 HydrophobicContact CG-CD1 4.48Å; A51-I173 HydrophobicContact CB-CD1 3.93Å; A51-I173 HydrophobicContact CB-CG1 4.3Å; A51-I173 HydrophobicContact CB-CG2 3.62Å; L168-I173 PolarHBondContact O-N 3.15Å; L171-I173 VanDerWaalsContact C-N 3.25Å; L171-I173 HydrophobicContact CB-CD1 3.98Å; L171-I173 HydrophobicContact CB-CG1 4.06Å; L171-I173 HydrophobicContact CD1-CD1 4.31Å; L171-I173 PolarHBondContact O-N 3.33Å; I173-L175 HydrophobicContact CG2-CD1 3.98Å; I173-L175 WeakPolarHBondContact O-CD1 3.49Å; I173-L175 PolarHBondContact O-N 3.32Å
174D72.2Confident70.9Confident92 Ų9275.8 Ų75.849%0.49243%0.427SS..  trans-77.7102.2172.2-169.3-10.4000109.1G172 N176 A177 Q178G172-D174 PolarHBondContact O-N 3.09Å; D174-N176 PolarHBondContact O-N 2.82Å; D174-N176 WeakPolarHBondContact OD1-CB 3.12Å; D174-N176 PolarHBondContact OD1-N 3.46Å; D174-A177 HydrophobicContact CB-CB 3.86Å; D174-A177 PolarHBondContact O-N 3.35Å; D174-A177 PolarHBondContact OD1-N 3.48Å; D174-Q178 PolarHBondContact O-N 3.29Å
175L62Low69.4Low28 Ų2879.4 Ų79.415%0.14746%0.457CS..Hα-helixtrans-59.1-33.2177.7-86.471.2000110.7I56 L168 I173 Q178 L179I56-L175 HydrophobicContact CD1-CG 4.32Å; I56-L175 HydrophobicContact CG2-CD2 3.5Å; I56-L175 HydrophobicContact CG2-CG 4.31Å; L168-L175 HydrophobicContact CB-CD1 4.12Å; L168-L175 HydrophobicContact CD1-CD1 3.69Å; L168-L175 HydrophobicContact CD1-CD2 4.4Å; L168-L175 HydrophobicContact CD2-CD1 4.37Å; L168-L175 HydrophobicContact CG-CD1 4.26Å; I173-L175 HydrophobicContact CG2-CD1 3.98Å; I173-L175 WeakPolarHBondContact O-CD1 3.49Å; I173-L175 PolarHBondContact O-N 3.32Å; L175-Q178 PolarHBondContact O-N 3.15Å; L175-L179 VanDerWaalsContact O-CG 3.24Å; L175-L179 WeakPolarHBondContact O-CG 3.35Å; L175-L179 PolarHBondContact O-N 3.12Å
176N62.4Low67.6Low115 Ų11584.1 Ų84.162%0.61547%0.474SS*.Hα-helixtrans-73.5-36.1-178.7-77.8-1.4000112.1D174 Q178 L179 S180D174-N176 PolarHBondContact O-N 2.82Å; D174-N176 WeakPolarHBondContact OD1-CB 3.12Å; D174-N176 PolarHBondContact OD1-N 3.46Å; N176-Q178 VanDerWaalsContact C-N 3.34Å; N176-L179 PolarHBondContact O-N 2.82Å; N176-S180 PolarHBondContact O-N 3.49Å; N176-S180 PolarHBondContact O-OG 3.38Å
177A59.5Low65.8Low43 Ų4384.9 Ų84.936%0.35548%0.484SS..Hα-helixtrans-69-32.7175.800000112.3D174 N181D174-A177 HydrophobicContact CB-CB 3.86Å; D174-A177 PolarHBondContact O-N 3.35Å; D174-A177 PolarHBondContact OD1-N 3.48Å; A177-N181 PolarHBondContact O-ND2 3.44Å
178Q54.9Low63.9Low68 Ų6890 Ų9032%0.31852%0.515SS..Hα-helixtrans-76.2-36.2175-72-172.8-29.100112.6A51 D174 L175 N176 S180 N181 L182A51-Q178 PolarHBondContact O-NE2 2.67Å; A51-Q178 PolarHBondContact O-OE1 3.41Å; D174-Q178 PolarHBondContact O-N 3.29Å; L175-Q178 PolarHBondContact O-N 3.15Å; N176-Q178 VanDerWaalsContact C-N 3.34Å; Q178-S180 PolarHBondContact O-N 3.17Å; Q178-N181 PolarHBondContact O-N 2.9Å; Q178-N181 VanDerWaalsContact O-N 3.12Å; Q178-L182 PolarHBondContact O-N 3.36Å
179L54.4Low61.9Low94 Ų9497.2 Ų97.249%0.49255%0.552SS.*Hα-helixtrans-62.1-31.3172.9-72.7171.8000112.5L175 N176 N181 L182L175-L179 VanDerWaalsContact O-CG 3.24Å; L175-L179 WeakPolarHBondContact O-CG 3.35Å; L175-L179 PolarHBondContact O-N 3.12Å; N176-L179 PolarHBondContact O-N 2.82Å; L179-N181 VanDerWaalsContact C-N 3.33Å; L179-L182 HydrophobicContact CD2-CD1 3.75Å
180S56.1Low59.6Low101 Ų10193.7 Ų93.771%0.70655%0.554SS**Hα-helixtrans-74.1-21.1176.1-57.20000113.7N176 Q178N176-S180 PolarHBondContact O-N 3.49Å; N176-S180 PolarHBondContact O-OG 3.38Å; Q178-S180 PolarHBondContact O-N 3.17Å
181N53.1Low57.2Low137 Ų13793.2 Ų93.273%0.73357%0.565SS**THydrogen-bonded Turntrans-98.10.2177.9-75.2-63.9000113.5A177 Q178 L179A177-N181 PolarHBondContact O-ND2 3.44Å; Q178-N181 PolarHBondContact O-N 2.9Å; Q178-N181 VanDerWaalsContact O-N 3.12Å; L179-N181 VanDerWaalsContact C-N 3.33Å
182L49.3Very low54.7Low95 Ų9597.1 Ų97.150%0.49759%0.591SS.*SBendtrans-72127.8167.6-70.7166.1000107.4Q178 L179 T184Q178-L182 PolarHBondContact O-N 3.36Å; L179-L182 HydrophobicContact CD2-CD1 3.75Å; L182-T184 VanDerWaalsContact C-N 3.34Å; L182-T184 PolarHBondContact O-N 2.98Å
183P49.5Very low52.3Low111 Ų111100.3 Ų100.372%0.72160%0.597SS**  trans-56.9104.8169.3-15.827.4000106.6A185P183-A185 PolarHBondContact O-N 2.87Å
184T48.4Very low50.4Low93 Ų93105.5 Ų105.557%0.57163%0.631SS**  trans-55.8129167.245.30000105.4L182 K186 D187L182-T184 VanDerWaalsContact C-N 3.34Å; L182-T184 PolarHBondContact O-N 2.98Å; T184-K186 PolarHBondContact O-N 2.78Å; T184-D187 PolarHBondContact O-N 3.21Å; T184-D187 VanDerWaalsContact O-N 3.12Å
185A52.6Low48.5Very low80 Ų80106.8 Ų106.866%0.66165%0.648SS**THydrogen-bonded Turntrans-58.613.7179.100000114.5P183P183-A185 PolarHBondContact O-N 2.87Å
186K51Low47.4Very low178 Ų178109.6 Ų109.677%0.77468%0.675SS**THydrogen-bonded Turntrans-79.3-22.6166.8-73.6-174.3172.6-179.20113.5T184T184-K186 PolarHBondContact O-N 2.78Å
187D49.5Very low46.1Very low136 Ų136110.1 Ų110.173%0.72768%0.682SS**THydrogen-bonded Turntrans-91.9-2.8-178.9-77.8-14.6000114.7T184T184-D187 PolarHBondContact O-N 3.21Å; T184-D187 VanDerWaalsContact O-N 3.12Å
188T47.7Very low44.8Very low121 Ų121119.1 Ų119.174%0.74271%0.707SS**THydrogen-bonded Turntrans-94.81.8174.753.30000114.1
189I47Very low44.1Very low155 Ų155120.3 Ų120.380%0.79572%0.72SS**SBendtrans-103.174.6169.6-47.1178000108.7
190G41.1Very low43.3Very low70 Ų70124.5 Ų124.572%0.72274%0.737SS**SBendtrans127.675.716300000114.9
191S38.1Very low42.2Very low118 Ų118123.8 Ų123.883%0.82574%0.737SS**  -156.1124.2123.4-158.30000109.8
192T35.5Very low41Very low122 Ų122124 Ų12475%0.74874%0.743SS**  trans-59.8131.2-178.247.60000112P194T192-P194 WeakPolarHBondContact O-CD 3.47Å
193V33.8Very low40.2Very low135 Ų135123.6 Ų123.682%0.81875%0.754SS**  trans-50.8130.4163-92.40000112.4
194P39.8Very low39.5Very low123 Ų123125 Ų12580%0.79976%0.76SS**  trans-106.6102.6144.910.510.3000108.3T192 A196T192-P194 WeakPolarHBondContact O-CD 3.47Å; P194-A196 PolarHBondContact O-N 3.08Å
195S33.2Very low38.5Very low120 Ų120127 Ų12784%0.83977%0.768SS**  trans-57.8120.3158.7-77.80000110
196A38.8Very low38.1Very low86 Ų86128.8 Ų128.871%0.71177%0.772SS**  trans-154.7109.6156.600000112.1P194P194-A196 PolarHBondContact O-N 3.08Å
197V35.5Very low37.1Very low127 Ų127126.2 Ų126.277%0.7777%0.772SS**  trans64.499.8137.7-167.30000116.6
198R31.1Very low36.6Very low232 Ų232124.5 Ų124.588%0.87577%0.768SS**  57.5159.993.4-65.7-175.1179.7-149.11.4114.8
199P41.5Very low35.5Very low92 Ų92125.6 Ų125.660%0.59777%0.768SS**  cis-138.1-170.2-48.838-19.4000112.4
200H36.1Very low34.5Very low182 Ų182124.2 Ų124.284%0.84377%0.767SS**  trans76.8137.9160.2-60.6-37.5000117.3
201A34.4Very low33.8Very low87 Ų87124.2 Ų124.272%0.71977%0.767SS**  cis-158.9121.7-3.600000104.7
202V28Very low33.7Very low141 Ų141125 Ų12586%0.85577%0.769SS**  30.3118.899.6-178.90000116.3
203A31.7Very low33.3Very low87 Ų87122.5 Ų122.572%0.71977%0.768SS**  trans75.4108146.600000119.2
204T34.6Very low33.7Very low139 Ų139121.3 Ų121.385%0.85376%0.763SS**  -161.7144.3129.944.90000105.8
205D28.4Very low33.1Very low136 Ų136122.2 Ų122.273%0.72776%0.761SS**  cis-167.2141.8-23.9-140.5-6.7000102.7
206P43Very low33Very low117 Ų117121 Ų12176%0.7675%0.752SS**  trans-87.9125.1-178.232.3-25.1000109.5
207T31.2Very low32.7Very low124 Ų124124 Ų12476%0.76176%0.757SS**  trans-145.1152.1171.736.30000110.5
208P37.6Very low32.7Very low101 Ų101122.1 Ų122.166%0.65675%0.749SS**  -117.6-146.8-113.818.25.4000109.1
209I26.3Very low33Very low144 Ų144119 Ų11974%0.73875%0.748SS**  trans70.7133.115470.2168.7000113.6
210T25.4Very low32.9Very low126 Ų126121.3 Ų121.377%0.77376%0.756SS**  cis177.2132.633.32.30000103.7
211G26.3Very low33.3Very low70 Ų70118.1 Ų118.172%0.72275%0.751SS**  90.3-174.8115.600000112.5
212P35.2Very low34.2Very low133 Ų133121.7 Ų121.786%0.86476%0.756SS**  -133.4160.3-92.533.9-19.1000114.1
213G28.4Very low35.1Very low71 Ų71120 Ų12073%0.73274%0.742SS**  trans74.4-166.7142.500000117.5
214P41.9Very low36.2Very low110 Ų110123.1 Ų123.171%0.71474%0.742SS**  -131.5-166.9-91.235-18.1000112.1
215N27.8Very low37.2Very low141 Ų141122 Ų12275%0.75473%0.731SS**  trans92.3111.2160.4-62.7-6.2000115.2
216S29.3Very low38.8Very low94 Ų94120.7 Ų120.766%0.65772%0.724SS**  71107.675.184.20000112
217D33.7Very low39.7Very low150 Ų150120.3 Ų120.380%0.80272%0.715SS**  trans-168105.3150.7-101.6-30.3000108
218S34.5Very low41.3Very low88 Ų88121.4 Ų121.462%0.61571%0.712SS**  73.187.496.858.80000112.1
219I37.5Very low43Very low165 Ų165119.2 Ų119.285%0.84670%0.702SS**  trans-103.593.9163-62.4173.4000105.4
220D39.1Very low45Very low142 Ų142120.8 Ų120.876%0.75970%0.698SS**  trans-63.3126174.9-75.9-40.4000110.2
221P45.8Very low47.1Very low115 Ų115120.1 Ų120.175%0.74769%0.689SS**  trans-75.5135.9177.428.1-30.5000111.1D223P221-D223 PolarHBondContact O-N 3.49Å; P221-D223 VanDerWaalsContact O-N 3.1Å
222I52Low49.5Very low162 Ų162124 Ų12483%0.83169%0.688SS**  trans-55.3110.2-179.2-61.3166.3000109.6E224I222-E224 PolarHBondContact O-N 3.26Å; I222-E224 VanDerWaalsContact O-N 3.15Å
223D47Very low51.4Low105 Ų105127.7 Ų127.756%0.56169%0.685SS**  trans-61.9109.3180-174.2-4.5000111.2P221 N225 N226P221-D223 PolarHBondContact O-N 3.49Å; P221-D223 VanDerWaalsContact O-N 3.1Å; D223-N225 PolarHBondContact O-N 3.46Å; D223-N225 VanDerWaalsContact O-N 3.07Å; D223-N225 VanDerWaalsContact OD1-CB 3.25Å; D223-N225 WeakPolarHBondContact OD1-CB 3.22Å; D223-N225 PolarHBondContact OD1-N 3.5Å; D223-N225 VanDerWaalsContact OD1-N 3.1Å; D223-N225 PolarHBondContact OD1-ND2 3Å; D223-N226 PolarHBondContact O-N 3.48Å
224E54.2Low53.3Low153 Ų153131.1 Ų131.172%0.71569%0.686SS**THydrogen-bonded Turntrans-56.6-18.7180-68.4-179.2155.400113.1I222 N226 L227I222-E224 PolarHBondContact O-N 3.26Å; I222-E224 VanDerWaalsContact O-N 3.15Å; E224-N226 PolarHBondContact O-N 3.1Å; E224-N226 VanDerWaalsContact O-N 3.15Å; E224-L227 PolarHBondContact O-N 3.45Å; E224-L227 VanDerWaalsContact O-N 3.13Å
225N55.6Low54.6Low116 Ų116134.1 Ų134.162%0.6269%0.688SS**Hα-helixtrans-62.9-21.1180-68-40.1000113.9D223D223-N225 PolarHBondContact O-N 3.46Å; D223-N225 VanDerWaalsContact O-N 3.07Å; D223-N225 VanDerWaalsContact OD1-CB 3.25Å; D223-N225 WeakPolarHBondContact OD1-CB 3.22Å; D223-N225 PolarHBondContact OD1-N 3.5Å; D223-N225 VanDerWaalsContact OD1-N 3.1Å; D223-N225 PolarHBondContact OD1-ND2 3Å
226N62.8Low56.4Low108 Ų108138.6 Ų138.658%0.57869%0.694SS**Hα-helixtrans-77.1-23.8178-159.1-68.2000112.8D223 E224 R230D223-N226 PolarHBondContact O-N 3.48Å; E224-N226 PolarHBondContact O-N 3.1Å; E224-N226 VanDerWaalsContact O-N 3.15Å; N226-R230 WeakPolarHBondContact O-CG 3.31Å
227L62.3Low57.6Low108 Ų108146.3 Ų146.357%0.56572%0.716SS**Hα-helixtrans-73.9-34.1-173.8-67.5172.1000112.4E224 R230 L231E224-L227 PolarHBondContact O-N 3.45Å; E224-L227 VanDerWaalsContact O-N 3.13Å; L227-R230 PolarHBondContact O-N 3.5Å; L227-L231 PolarHBondContact O-N 3.27Å
228E65.3Low58.8Low148 Ų148146.2 Ų146.269%0.69271%0.712SS**Hα-helixtrans-68.1-41.7179.8-64.6-170.2153.900112R230 L231 E232E228-R230 VanDerWaalsContact C-N 3.25Å; E228-R230 PolarHBondContact O-N 3.49Å; E228-L231 PolarHBondContact O-N 3.11Å; E228-L231 VanDerWaalsContact O-N 3.08Å; E228-E232 PolarHBondContact O-N 3.29Å
229A72.9Confident60.1Low54 Ų54149.2 Ų149.245%0.44672%0.717SS.*Hα-helixtrans-63.5-29.5178.500000113.2
230R68.6Low61.3Low178 Ų178148.3 Ų148.367%0.67271%0.71SS**Hα-helixtrans-75.1-30.7176.4-64.9-179.988.5-179.36.6111.8N226 L227 E228N226-R230 WeakPolarHBondContact O-CG 3.31Å; L227-R230 PolarHBondContact O-N 3.5Å; E228-R230 VanDerWaalsContact C-N 3.25Å; E228-R230 PolarHBondContact O-N 3.49Å
231L68.9Low62.6Low111 Ų111148.7 Ų148.758%0.58171%0.707SS**Hα-helixtrans-77.3-34.9-177.7-136.8137000112.1L227 E228 L234 K235L227-L231 PolarHBondContact O-N 3.27Å; E228-L231 PolarHBondContact O-N 3.11Å; E228-L231 VanDerWaalsContact O-N 3.08Å; L231-L234 PolarHBondContact O-N 2.86Å; L231-K235 PolarHBondContact O-N 2.71Å
232E77.7Confident63.7Low151 Ų151150.8 Ų150.871%0.70670%0.704SS**Hα-helixtrans-67-37.5174.5-73.6-164.8148.900113.2E228 L234 K235E228-E232 PolarHBondContact O-N 3.29Å; E232-L234 PolarHBondContact O-N 2.8Å; E232-K235 PolarHBondContact O-N 3.5Å
233R74.5Confident64.4Low211 Ų211150.1 Ų150.180%0.79670%0.696SS**Hα-helixtrans-64.1-28.6177.9-74.7-174.2-179.9-149.91.2113.1
234L67.9Low65.7Low144 Ų144153.3 Ų153.375%0.75471%0.705SS**Hα-helixtrans-79.5-28.2179.9-15678.6000112.5L231 E232 R236L231-L234 PolarHBondContact O-N 2.86Å; E232-L234 PolarHBondContact O-N 2.8Å; L234-R236 VanDerWaalsContact C-N 3.32Å; L234-R236 PolarHBondContact O-N 2.88Å
235K69.4Low66.6Low173 Ų173153.3 Ų153.375%0.75271%0.705SS**Hα-helixtrans-78.3-11.6178.5-79-175.2175.3177.90114.4L231 E232L231-K235 PolarHBondContact O-N 2.71Å; E232-K235 PolarHBondContact O-N 3.5Å
236R65.1Low67.5Low235 Ų235156.4 Ų156.489%0.88771%0.712SS**THydrogen-bonded Turntrans-99.23.3-177.7-153.8-177.2171.5-174.5-1.9114L234L234-R236 VanDerWaalsContact C-N 3.32Å; L234-R236 PolarHBondContact O-N 2.88Å
237K54.6Low67.9Low256 Ų256160.8 Ų160.8100%1.11372%0.724SS**  trans-100.90166.9-96.2-173.6172.7-174.70109.5

Retrieved 237 of 237 residues in 141.1 ms (Link to these results)

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