A0A077Z819_TRITR Loading...

DnaJ subfamily B 2

AlphaFold DB , UniProt , Accession A0A077Z819, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 405 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
1M57.9Low81.8Confident217 Ų21796.3 Ų96.3100%1.06947%0.473SS*.  0-18.90-79.3-173.8-84.200112.9A3 N4M1-A3 PolarHBondContact O-N 3.47Å; M1-N4 PolarHBondContact O-N 3.27Å
2E65Low82.6Confident146 Ų14688.7 Ų88.768%0.68244%0.436SS*.Hα-helixtrans-64.1-30.3-170-67142.5136.800115.7N4 R5 D6E2-N4 PolarHBondContact O-N 3.03Å; E2-N4 VanDerWaalsContact O-N 3.09Å; E2-R5 WeakPolarHBondContact O-CA 3.07Å; E2-R5 WeakPolarHBondContact O-CB 3.43Å; E2-R5 PolarHBondContact O-N 3.08Å; E2-D6 PolarHBondContact O-N 2.75Å
3A69Low83.4Confident76 Ų7692.2 Ų92.263%0.62845%0.45SS*.Hα-helixtrans-53.8-34.6178.800000113.7M1 E7M1-A3 PolarHBondContact O-N 3.47Å; A3-E7 PolarHBondContact O-N 2.94Å
4N80.8Confident84.1Confident84 Ų8491.3 Ų91.345%0.44945%0.448SS..Hα-helixtrans-71.6-28174.9-7551.5000113M1 E2 S8 L37M1-N4 PolarHBondContact O-N 3.27Å; E2-N4 PolarHBondContact O-N 3.03Å; E2-N4 VanDerWaalsContact O-N 3.09Å; N4-S8 WeakPolarHBondContact O-CB 3.37Å; N4-S8 PolarHBondContact O-N 3.25Å; N4-S8 VanDerWaalsContact O-N 3.13Å; N4-S8 PolarHBondContact O-OG 3.12Å; N4-L37 WeakPolarHBondContact CB-O 3.35Å; N4-L37 PolarHBondContact ND2-O 2.87Å
5R85.7Confident84.7Confident95 Ų9585.2 Ų85.236%0.35842%0.418SS..Hα-helixtrans-68.1-43.9175.3-161-173.9-171.7174.81109.9E2 S8 L9 E42 I43E2-R5 WeakPolarHBondContact O-CA 3.07Å; E2-R5 WeakPolarHBondContact O-CB 3.43Å; E2-R5 PolarHBondContact O-N 3.08Å; R5-S8 WeakPolarHBondContact CA-OG 3.36Å; R5-S8 PolarHBondContact O-N 3.09Å; R5-S8 PolarHBondContact O-OG 3.11Å; R5-L9 HydrophobicContact CG-CD1 4.37Å; R5-L9 WeakPolarHBondContact O-CB 3.49Å; R5-L9 VanDerWaalsContact O-CG 3.25Å; R5-L9 WeakPolarHBondContact O-CG 3.48Å; R5-L9 PolarHBondContact O-N 3.16Å; R5-E42 IonicContact CZ-OE2 2.67Å; R5-E42 IonicContact NE-OE2 3.69Å; R5-E42 IonicContact NH2-OE1 3.17Å; R5-E42 PolarHBondContact NH2-OE1 3.42Å; R5-E42 IonicContact NH2-OE2 3.05Å; R5-E42 PolarHBondContact NH2-OE2 3.11Å; R5-I43 HydrophobicContact CG-CD1 4.01Å
6D86.9Confident85.2Confident98 Ų9885.9 Ų85.952%0.52442%0.418SS..Hα-helixtrans-66.4-41.7179.6-63.6-21000112.3E2 L9 R10E2-D6 PolarHBondContact O-N 2.75Å; D6-L9 PolarHBondContact O-N 3.29Å; D6-R10 WeakPolarHBondContact O-CG 3.23Å; D6-R10 PolarHBondContact O-N 3.23Å
7E89.3Confident85.7Confident90 Ų9087.5 Ų87.542%0.42142%0.422SS..Hα-helixtrans-70.6-34.5178.1-153.5-165.5160.800112.4A3 R10 C11 K33 L37A3-E7 PolarHBondContact O-N 2.94Å; E7-R10 PolarHBondContact O-N 3.01Å; E7-C11 PolarHBondContact O-N 2.96Å; E7-C11 PolarHBondContact O-SG 3.48Å; E7-K33 IonicContact OE1-NZ 3.9Å; E7-K33 PolarHBondContact OE1-NZ 2.98Å; E7-L37 HydrophobicContact CB-CD1 4.12Å; E7-L37 HydrophobicContact CG-CD1 4.05Å; E7-L37 WeakPolarHBondContact OE2-CD2 3.42Å
8S90.1Very high86.1Confident0 Ų085.4 Ų85.40%041%0.411CS..Hα-helixtrans-70.6-37.7174.147.90000112.3N4 R5 C11 I12 A34 C38 I43N4-S8 WeakPolarHBondContact O-CB 3.37Å; N4-S8 PolarHBondContact O-N 3.25Å; N4-S8 VanDerWaalsContact O-N 3.13Å; N4-S8 PolarHBondContact O-OG 3.12Å; R5-S8 WeakPolarHBondContact CA-OG 3.36Å; R5-S8 PolarHBondContact O-N 3.09Å; R5-S8 PolarHBondContact O-OG 3.11Å; S8-C11 WeakPolarHBondContact O-CB 3.34Å; S8-C11 PolarHBondContact O-N 2.8Å; S8-I12 PolarHBondContact O-N 3.21Å; S8-A34 WeakPolarHBondContact CB-O 3.2Å; S8-C38 VanDerWaalsContact OG-CB 3.31Å; S8-C38 WeakPolarHBondContact OG-CB 3.26Å; S8-I43 VanDerWaalsContact OG-CD1 3.31Å; S8-I43 WeakPolarHBondContact OG-CD1 2.86Å
9L91Very high86.3Confident71 Ų7183.9 Ų83.937%0.37241%0.405SS..Hα-helixtrans-60.7-46.1170.4-74171.9000111.7R5 D6 C11 I12 E13R5-L9 HydrophobicContact CG-CD1 4.37Å; R5-L9 WeakPolarHBondContact O-CB 3.49Å; R5-L9 VanDerWaalsContact O-CG 3.25Å; R5-L9 WeakPolarHBondContact O-CG 3.48Å; R5-L9 PolarHBondContact O-N 3.16Å; D6-L9 PolarHBondContact O-N 3.29Å; L9-C11 VanDerWaalsContact C-N 3.26Å; L9-C11 PolarHBondContact O-N 3.49Å; L9-I12 WeakPolarHBondContact O-CA 3.48Å; L9-I12 WeakPolarHBondContact O-CB 3.34Å; L9-I12 PolarHBondContact O-N 3.27Å; L9-E13 PolarHBondContact O-N 2.78Å
10R92Very high86.4Confident178 Ų17889.8 Ų89.867%0.67242%0.423SS*.Hα-helixtrans-58-36.6172.9-77.4-177.4175.1-173.21112.8D6 E7 E13 L14D6-R10 WeakPolarHBondContact O-CG 3.23Å; D6-R10 PolarHBondContact O-N 3.23Å; E7-R10 PolarHBondContact O-N 3.01Å; R10-E13 PolarHBondContact O-N 3.34Å; R10-L14 WeakPolarHBondContact O-CG 3.24Å; R10-L14 PolarHBondContact O-N 2.99Å
11C91.8Very high86.7Confident4 Ų490.1 Ų90.13%0.02742%0.424CS..Hα-helixtrans-66.1-37.1174.5-66.70000112.1E7 S8 L9 L14 A15 A34E7-C11 PolarHBondContact O-N 2.96Å; E7-C11 PolarHBondContact O-SG 3.48Å; S8-C11 WeakPolarHBondContact O-CB 3.34Å; S8-C11 PolarHBondContact O-N 2.8Å; L9-C11 VanDerWaalsContact C-N 3.26Å; L9-C11 PolarHBondContact O-N 3.49Å; C11-L14 PolarHBondContact O-N 2.89Å; C11-A15 WeakPolarHBondContact O-CB 3.5Å; C11-A15 PolarHBondContact O-N 2.87Å; C11-A34 HydrophobicContact CB-CB 3.84Å
12I91.6Very high88.1Confident5 Ų582.8 Ų82.83%0.02641%0.405CS..Hα-helixtrans-66.4-40.3173.2-70167.7000111.5S8 L9 A15 K16 L31 A34 I43 I46 V47 L50S8-I12 PolarHBondContact O-N 3.21Å; L9-I12 WeakPolarHBondContact O-CA 3.48Å; L9-I12 WeakPolarHBondContact O-CB 3.34Å; L9-I12 PolarHBondContact O-N 3.27Å; I12-A15 WeakPolarHBondContact O-CB 3.47Å; I12-A15 PolarHBondContact O-N 3.12Å; I12-K16 HydrophobicContact CG2-CD 4.24Å; I12-K16 WeakPolarHBondContact O-CG 3.33Å; I12-K16 PolarHBondContact O-N 3.29Å; I12-L31 HydrophobicContact CG1-CD2 4.4Å; I12-A34 HydrophobicContact CD1-CB 4.45Å; I12-A34 HydrophobicContact CG1-CB 3.93Å; I12-I43 HydrophobicContact CD1-CG2 3.98Å; I12-I46 HydrophobicContact CD1-CB 4.41Å; I12-I46 HydrophobicContact CD1-CG2 3.99Å; I12-I46 HydrophobicContact CG2-CG2 3.85Å; I12-V47 HydrophobicContact CD1-CG2 4.1Å; I12-V47 HydrophobicContact CG1-CG2 4.15Å; I12-L50 HydrophobicContact CG2-CD1 4.1Å
13E93.4Very high89.3Confident134 Ų13477.6 Ų77.663%0.62638%0.381SS*.Hα-helixtrans-63.5-42.6175.4-68-169.5139.400112.4L9 R10 A15 K16 K17L9-E13 PolarHBondContact O-N 2.78Å; R10-E13 PolarHBondContact O-N 3.34Å; E13-A15 VanDerWaalsContact C-N 3.34Å; E13-A15 PolarHBondContact O-N 2.58Å; E13-K16 CarbonylContact O-C 3.53Å; E13-K16 PolarHBondContact O-N 2.76Å; E13-K17 PolarHBondContact O-N 3.33Å
14L93.5Very high90.2Very high80 Ų8077 Ų7742%0.41937%0.373SS..Hα-helixtrans-63.3-38.5173.9-72.4170.5000111.8R10 C11 K17 K18 F30R10-L14 WeakPolarHBondContact O-CG 3.24Å; R10-L14 PolarHBondContact O-N 2.99Å; C11-L14 PolarHBondContact O-N 2.89Å; L14-K17 PolarHBondContact O-N 3.5Å; L14-K18 WeakPolarHBondContact O-CB 3.08Å; L14-K18 WeakPolarHBondContact O-CG 3.36Å; L14-K18 PolarHBondContact O-N 3.27Å; L14-F30 HydrophobicContact CB-CD1 4Å; L14-F30 HydrophobicContact CB-CD2 4.18Å; L14-F30 HydrophobicContact CB-CE1 4.09Å; L14-F30 HydrophobicContact CB-CE2 4.28Å; L14-F30 HydrophobicContact CB-CG 4.07Å; L14-F30 HydrophobicContact CB-CZ 4.25Å; L14-F30 HydrophobicContact CD1-CD1 4.21Å; L14-F30 HydrophobicContact CD1-CE1 3.76Å; L14-F30 HydrophobicContact CD1-CZ 4.23Å
15A92.9Very high90.6Very high0 Ų079 Ų790%038%0.38CS..Hα-helixtrans-62.9-45.4171.800000112.3C11 I12 E13 K17 K18 L19 A27 F30 L31C11-A15 WeakPolarHBondContact O-CB 3.5Å; C11-A15 PolarHBondContact O-N 2.87Å; I12-A15 WeakPolarHBondContact O-CB 3.47Å; I12-A15 PolarHBondContact O-N 3.12Å; E13-A15 VanDerWaalsContact C-N 3.34Å; E13-A15 PolarHBondContact O-N 2.58Å; A15-K17 VanDerWaalsContact C-N 3.3Å; A15-K17 PolarHBondContact O-N 3.14Å; A15-K18 PolarHBondContact O-N 2.99Å; A15-L19 PolarHBondContact O-N 3.32Å; A15-A27 HydrophobicContact CB-CB 4.36Å; A15-F30 HydrophobicContact CB-CB 3.92Å; A15-L31 HydrophobicContact CB-CD1 4.43Å; A15-L31 HydrophobicContact CB-CD2 3.63Å; A15-L31 HydrophobicContact CB-CG 3.65Å
16K92.2Very high90.8Very high97 Ų9779.2 Ų79.242%0.42238%0.383SS..Hα-helixtrans-64.6-29.8175-72.4177.1179.7179.90112.9I12 E13 R20 L50I12-K16 HydrophobicContact CG2-CD 4.24Å; I12-K16 WeakPolarHBondContact O-CG 3.33Å; I12-K16 PolarHBondContact O-N 3.29Å; E13-K16 CarbonylContact O-C 3.53Å; E13-K16 PolarHBondContact O-N 2.76Å; K16-R20 PolarHBondContact O-NE 3.41Å; K16-L50 HydrophobicContact CG-CD1 4.24Å; K16-L50 HydrophobicContact CG-CD2 4.47Å
17K94Very high91Very high112 Ų11274.6 Ų74.649%0.48736%0.358SS..Hα-helixtrans-70.2-47.5169.5-178168.8174.1172.80110.8E13 L14 A15 L19 R20 E21E13-K17 PolarHBondContact O-N 3.33Å; L14-K17 PolarHBondContact O-N 3.5Å; A15-K17 VanDerWaalsContact C-N 3.3Å; A15-K17 PolarHBondContact O-N 3.14Å; K17-L19 PolarHBondContact O-N 2.96Å; K17-R20 WeakPolarHBondContact O-CB 3.27Å; K17-R20 PolarHBondContact O-N 3.39Å; K17-R20 VanDerWaalsContact O-N 3.08Å; K17-E21 WeakPolarHBondContact CE-OE1 3.4Å; K17-E21 WeakPolarHBondContact CG-OE1 3.32Å; K17-E21 IonicContact NZ-OE1 2.63Å; K17-E21 PolarHBondContact O-N 3.08Å; K17-E21 VanDerWaalsContact O-N 3.15Å
18K92.8Very high91Very high50 Ų5071.5 Ų71.522%0.21735%0.347CS..Hα-helixtrans-64.7-34.2179.9-76.8-73.4163.7-161.60113.8L14 A15 R20 E21 G22 D23 K26 A27 F30L14-K18 WeakPolarHBondContact O-CB 3.08Å; L14-K18 WeakPolarHBondContact O-CG 3.36Å; L14-K18 PolarHBondContact O-N 3.27Å; A15-K18 PolarHBondContact O-N 2.99Å; K18-R20 PolarHBondContact O-N 3.35Å; K18-E21 WeakPolarHBondContact CD-OE2 3.35Å; K18-E21 WeakPolarHBondContact CE-OE2 3.45Å; K18-E21 IonicContact NZ-OE2 2.94Å; K18-E21 PolarHBondContact NZ-OE2 3.38Å; K18-E21 CarbonylContact O-C 3.6Å; K18-E21 PolarHBondContact O-N 2.96Å; K18-E21 VanDerWaalsContact O-N 3.14Å; K18-G22 PolarHBondContact O-N 2.65Å; K18-D23 HydrophobicContact CB-CB 4.15Å; K18-D23 HydrophobicContact CD-CB 3.54Å; K18-D23 VanDerWaalsContact CD-OD2 3.23Å; K18-D23 WeakPolarHBondContact CD-OD2 3.35Å; K18-D23 WeakPolarHBondContact CE-OD2 3.21Å; K18-D23 HydrophobicContact CG-CB 4.48Å; K18-D23 IonicContact NZ-OD2 2.76Å; K18-D23 PolarHBondContact NZ-OD2 3.37Å; K18-D23 WeakPolarHBondContact O-CB 3.48Å; K18-D23 PolarHBondContact O-N 3.44Å; K18-K26 HydrophobicContact CB-CB 4.49Å; K18-K26 HydrophobicContact CD-CB 3.9Å; K18-K26 HydrophobicContact CD-CD 4.33Å; K18-K26 HydrophobicContact CG-CB 4.17Å; K18-A27 HydrophobicContact CB-CB 3.89Å; K18-F30 HydrophobicContact CG-CD2 4.2Å; K18-F30 HydrophobicContact CG-CE2 4.05Å
19L89.3Confident91Very high58 Ų5877.5 Ų77.530%0.30437%0.373SS..Hα-helixtrans-58.8-43.5169-84.3166.8000112.6A15 K17 E21 G22 A27 L50 F54A15-L19 PolarHBondContact O-N 3.32Å; K17-L19 PolarHBondContact O-N 2.96Å; L19-E21 PolarHBondContact O-N 3.09Å; L19-G22 PolarHBondContact O-N 3.35Å; L19-G22 VanDerWaalsContact O-N 3.12Å; L19-A27 HydrophobicContact CD2-CB 4.47Å; L19-A27 HydrophobicContact CG-CB 3.91Å; L19-L50 HydrophobicContact CD1-CD2 4.07Å; L19-F54 HydrophobicContact CD1-CE2 4.26Å; L19-F54 HydrophobicContact CD1-CZ 4.08Å; L19-F54 HydrophobicContact CD2-CE1 3.77Å; L19-F54 HydrophobicContact CD2-CE2 4.14Å; L19-F54 HydrophobicContact CD2-CZ 3.57Å; L19-F54 HydrophobicContact CG-CZ 3.97Å
20R89.6Confident91.1Very high201 Ų20177.2 Ų77.276%0.75837%0.369SS*.Hα-helixtrans-69.2-17.8175.7-72.1176.4-72.5179.71.3113.7K16 K17 K18K16-R20 PolarHBondContact O-NE 3.41Å; K17-R20 WeakPolarHBondContact O-CB 3.27Å; K17-R20 PolarHBondContact O-N 3.39Å; K17-R20 VanDerWaalsContact O-N 3.08Å; K18-R20 PolarHBondContact O-N 3.35Å
21E91.4Very high91.1Very high96 Ų9668.7 Ų68.745%0.44934%0.337SS..THydrogen-bonded Turntrans-93.14.9174-66.4169.5-175.700112.4K17 K18 L19 D23K17-E21 WeakPolarHBondContact CE-OE1 3.4Å; K17-E21 WeakPolarHBondContact CG-OE1 3.32Å; K17-E21 IonicContact NZ-OE1 2.63Å; K17-E21 PolarHBondContact O-N 3.08Å; K17-E21 VanDerWaalsContact O-N 3.15Å; K18-E21 WeakPolarHBondContact CD-OE2 3.35Å; K18-E21 WeakPolarHBondContact CE-OE2 3.45Å; K18-E21 IonicContact NZ-OE2 2.94Å; K18-E21 PolarHBondContact NZ-OE2 3.38Å; K18-E21 CarbonylContact O-C 3.6Å; K18-E21 PolarHBondContact O-N 2.96Å; K18-E21 VanDerWaalsContact O-N 3.14Å; L19-E21 PolarHBondContact O-N 3.09Å; E21-D23 HydrophobicContact CB-CB 4.26Å; E21-D23 PolarHBondContact O-N 3.47Å
22G88Confident90.9Very high64 Ų6476.5 Ų76.566%0.6637%0.365SS*.THydrogen-bonded Turntrans72.93.5-175.800000114.6K18 L19 S24K18-G22 PolarHBondContact O-N 2.65Å; L19-G22 PolarHBondContact O-N 3.35Å; L19-G22 VanDerWaalsContact O-N 3.12Å; G22-S24 VanDerWaalsContact C-N 3.26Å; G22-S24 PolarHBondContact O-N 3.08Å
23D89.9Confident90.9Very high36 Ų3680.4 Ų80.419%0.19338%0.382CS..  trans-87.856.5-163.2-135.8-5.2000111.1K18 E21 E25 K26 A27K18-D23 HydrophobicContact CB-CB 4.15Å; K18-D23 HydrophobicContact CD-CB 3.54Å; K18-D23 VanDerWaalsContact CD-OD2 3.23Å; K18-D23 WeakPolarHBondContact CD-OD2 3.35Å; K18-D23 WeakPolarHBondContact CE-OD2 3.21Å; K18-D23 HydrophobicContact CG-CB 4.48Å; K18-D23 IonicContact NZ-OD2 2.76Å; K18-D23 PolarHBondContact NZ-OD2 3.37Å; K18-D23 WeakPolarHBondContact O-CB 3.48Å; K18-D23 PolarHBondContact O-N 3.44Å; E21-D23 HydrophobicContact CB-CB 4.26Å; E21-D23 PolarHBondContact O-N 3.47Å; D23-E25 PolarHBondContact O-N 3.28Å; D23-K26 HydrophobicContact CB-CB 4.38Å; D23-K26 HydrophobicContact CB-CG 4.5Å; D23-K26 WeakPolarHBondContact O-CB 3.39Å; D23-K26 PolarHBondContact O-N 2.96Å; D23-K26 IonicContact OD1-NZ 2.78Å; D23-K26 PolarHBondContact OD1-NZ 3.29Å; D23-K26 VanDerWaalsContact OD2-CD 3.26Å; D23-K26 WeakPolarHBondContact OD2-CD 3.31Å; D23-K26 IonicContact OD2-NZ 3.98Å; D23-K26 PolarHBondContact OD2-NZ 2.87Å; D23-A27 PolarHBondContact O-N 3.36Å
24S88.7Confident90.7Very high65 Ų6574 Ų7446%0.45535%0.352SS..Hα-helixtrans-56.1-45-165.263.40000114G22 K26 A27 S28 F54G22-S24 VanDerWaalsContact C-N 3.26Å; G22-S24 PolarHBondContact O-N 3.08Å; S24-K26 VanDerWaalsContact C-N 3.29Å; S24-K26 PolarHBondContact O-N 3.49Å; S24-A27 PolarHBondContact O-N 3.39Å; S24-S28 PolarHBondContact O-N 2.85Å; S24-F54 WeakPolarHBondContact O-CE1 3.38Å
25E89.1Confident90.5Very high126 Ų12672.9 Ų72.959%0.58935%0.346SS*.Hα-helixtrans-57.1-41.6173.5-78.6-162.8-158.100113.2D23 S28 K29D23-E25 PolarHBondContact O-N 3.28Å; E25-S28 PolarHBondContact O-OG 3.17Å; E25-S28 VanDerWaalsContact O-OG 3.08Å; E25-K29 WeakPolarHBondContact O-CB 3.12Å; E25-K29 WeakPolarHBondContact O-CD 3.3Å; E25-K29 VanDerWaalsContact O-CG 3.24Å; E25-K29 WeakPolarHBondContact O-CG 3.47Å; E25-K29 PolarHBondContact O-N 2.83Å; E25-K29 VanDerWaalsContact O-N 3.09Å; E25-K29 IonicContact OE2-NZ 3.14Å; E25-K29 PolarHBondContact OE2-NZ 2.81Å
26K89.8Confident90.2Very high99 Ų9983.6 Ų83.643%0.4339%0.387SS..Hα-helixtrans-72.1-38.4-177.3-55.3-156.4-170.280.70109.5K18 D23 S24 K29 F30K18-K26 HydrophobicContact CB-CB 4.49Å; K18-K26 HydrophobicContact CD-CB 3.9Å; K18-K26 HydrophobicContact CD-CD 4.33Å; K18-K26 HydrophobicContact CG-CB 4.17Å; D23-K26 HydrophobicContact CB-CB 4.38Å; D23-K26 HydrophobicContact CB-CG 4.5Å; D23-K26 WeakPolarHBondContact O-CB 3.39Å; D23-K26 PolarHBondContact O-N 2.96Å; D23-K26 IonicContact OD1-NZ 2.78Å; D23-K26 PolarHBondContact OD1-NZ 3.29Å; D23-K26 VanDerWaalsContact OD2-CD 3.26Å; D23-K26 WeakPolarHBondContact OD2-CD 3.31Å; D23-K26 IonicContact OD2-NZ 3.98Å; D23-K26 PolarHBondContact OD2-NZ 2.87Å; S24-K26 VanDerWaalsContact C-N 3.29Å; S24-K26 PolarHBondContact O-N 3.49Å; K26-K29 PolarHBondContact O-N 2.93Å; K26-F30 WeakPolarHBondContact O-CD2 3.46Å; K26-F30 PolarHBondContact O-N 2.78Å
27A90.8Very high89.9Confident0 Ų080.4 Ų80.40%038%0.375CS..Hα-helixtrans-60.9-46.4173.100000112.4A15 K18 L19 D23 S24 K29 F30 L31 F54A15-A27 HydrophobicContact CB-CB 4.36Å; K18-A27 HydrophobicContact CB-CB 3.89Å; L19-A27 HydrophobicContact CD2-CB 4.47Å; L19-A27 HydrophobicContact CG-CB 3.91Å; D23-A27 PolarHBondContact O-N 3.36Å; S24-A27 PolarHBondContact O-N 3.39Å; A27-K29 VanDerWaalsContact C-N 3.33Å; A27-K29 PolarHBondContact O-N 3.06Å; A27-F30 PolarHBondContact O-N 2.89Å; A27-F30 VanDerWaalsContact O-N 3.15Å; A27-L31 WeakPolarHBondContact O-CG 3.37Å; A27-L31 PolarHBondContact O-N 2.77Å; A27-F54 HydrophobicContact CB-CE1 4.07Å; A27-F54 HydrophobicContact CB-CZ 3.79Å
28S89.3Confident89.3Confident26 Ų2676.2 Ų76.218%0.18236%0.359CS..Hα-helixtrans-65.5-34.5178.173.50000112.7S24 E25 L31 R32S24-S28 PolarHBondContact O-N 2.85Å; E25-S28 PolarHBondContact O-OG 3.17Å; E25-S28 VanDerWaalsContact O-OG 3.08Å; S28-L31 PolarHBondContact O-N 3.12Å; S28-R32 WeakPolarHBondContact O-CG 3.32Å; S28-R32 PolarHBondContact O-N 3.23Å
29K91.1Very high88.6Confident126 Ų12681.6 Ų81.655%0.54839%0.39SS..Hα-helixtrans-61.7-42.5170.7-71.9161.7-173162.30111.8E25 K26 A27 K33E25-K29 WeakPolarHBondContact O-CB 3.12Å; E25-K29 WeakPolarHBondContact O-CD 3.3Å; E25-K29 VanDerWaalsContact O-CG 3.24Å; E25-K29 WeakPolarHBondContact O-CG 3.47Å; E25-K29 PolarHBondContact O-N 2.83Å; E25-K29 VanDerWaalsContact O-N 3.09Å; E25-K29 IonicContact OE2-NZ 3.14Å; E25-K29 PolarHBondContact OE2-NZ 2.81Å; K26-K29 PolarHBondContact O-N 2.93Å; A27-K29 VanDerWaalsContact C-N 3.33Å; A27-K29 PolarHBondContact O-N 3.06Å; K29-K33 PolarHBondContact O-N 2.63Å; K29-K33 VanDerWaalsContact O-N 3.1Å
30F92.7Very high88.3Confident64 Ų6481 Ų8128%0.28139%0.387SS..Hα-helixtrans-66.7-40.7173.9-78.8-64000113.3L14 A15 K18 K26 A27 K33 A34L14-F30 HydrophobicContact CB-CD1 4Å; L14-F30 HydrophobicContact CB-CD2 4.18Å; L14-F30 HydrophobicContact CB-CE1 4.09Å; L14-F30 HydrophobicContact CB-CE2 4.28Å; L14-F30 HydrophobicContact CB-CG 4.07Å; L14-F30 HydrophobicContact CB-CZ 4.25Å; L14-F30 HydrophobicContact CD1-CD1 4.21Å; L14-F30 HydrophobicContact CD1-CE1 3.76Å; L14-F30 HydrophobicContact CD1-CZ 4.23Å; A15-F30 HydrophobicContact CB-CB 3.92Å; K18-F30 HydrophobicContact CG-CD2 4.2Å; K18-F30 HydrophobicContact CG-CE2 4.05Å; K26-F30 WeakPolarHBondContact O-CD2 3.46Å; K26-F30 PolarHBondContact O-N 2.78Å; A27-F30 PolarHBondContact O-N 2.89Å; A27-F30 VanDerWaalsContact O-N 3.15Å; F30-K33 WeakPolarHBondContact O-CB 3.47Å; F30-K33 PolarHBondContact O-N 3.1Å; F30-K33 VanDerWaalsContact O-N 3.16Å; F30-A34 PolarHBondContact O-N 3.07Å
31L90.8Very high88Confident0 Ų079.5 Ų79.50%039%0.389CS..Hα-helixtrans-63.3-42.5176.5-68.6172.5000112I12 A15 A27 S28 K33 A34 L35 V47 L50 L51 F54I12-L31 HydrophobicContact CG1-CD2 4.4Å; A15-L31 HydrophobicContact CB-CD1 4.43Å; A15-L31 HydrophobicContact CB-CD2 3.63Å; A15-L31 HydrophobicContact CB-CG 3.65Å; A27-L31 WeakPolarHBondContact O-CG 3.37Å; A27-L31 PolarHBondContact O-N 2.77Å; S28-L31 PolarHBondContact O-N 3.12Å; L31-K33 VanDerWaalsContact C-N 3.3Å; L31-K33 PolarHBondContact O-N 2.66Å; L31-A34 WeakPolarHBondContact O-CB 3.48Å; L31-A34 PolarHBondContact O-N 2.88Å; L31-L35 PolarHBondContact O-N 3.37Å; L31-V47 HydrophobicContact CB-CG1 3.99Å; L31-V47 HydrophobicContact CD2-CG1 4.46Å; L31-V47 HydrophobicContact CD2-CG2 4.01Å; L31-L50 HydrophobicContact CD1-CB 3.93Å; L31-L50 HydrophobicContact CD2-CB 4.26Å; L31-L50 HydrophobicContact CD2-CD1 3.73Å; L31-L51 HydrophobicContact CB-CD2 4.44Å; L31-L51 HydrophobicContact CD1-CD2 3.84Å; L31-L51 HydrophobicContact CD1-CG 4.06Å; L31-F54 HydrophobicContact CD1-CE2 3.66Å; L31-F54 HydrophobicContact CD1-CZ 3.93Å
32R89Confident87.7Confident167 Ų16779.6 Ų79.663%0.6339%0.389SS*.Hα-helixtrans-63.8-32.3172.8-70.8176.7-177.7-174.11.9112.5S28 R36S28-R32 WeakPolarHBondContact O-CG 3.32Å; S28-R32 PolarHBondContact O-N 3.23Å; R32-R36 WeakPolarHBondContact O-CG 3.25Å; R32-R36 PolarHBondContact O-N 3.08Å
33K90.5Very high87.5Confident87 Ų8776.6 Ų76.638%0.37836%0.358SS..Hα-helixtrans-68.2-40.6171.4-167.7-170.9171.9-145.20111.7E7 K29 F30 L31 L35 R36 L37E7-K33 IonicContact OE1-NZ 3.9Å; E7-K33 PolarHBondContact OE1-NZ 2.98Å; K29-K33 PolarHBondContact O-N 2.63Å; K29-K33 VanDerWaalsContact O-N 3.1Å; F30-K33 WeakPolarHBondContact O-CB 3.47Å; F30-K33 PolarHBondContact O-N 3.1Å; F30-K33 VanDerWaalsContact O-N 3.16Å; L31-K33 VanDerWaalsContact C-N 3.3Å; L31-K33 PolarHBondContact O-N 2.66Å; K33-L35 PolarHBondContact O-N 2.9Å; K33-R36 PolarHBondContact O-N 2.92Å; K33-L37 HydrophobicContact CD-CD1 4.35Å; K33-L37 HydrophobicContact CG-CD1 4.11Å; K33-L37 HydrophobicContact CG-CG 4.49Å; K33-L37 WeakPolarHBondContact O-CG 3.11Å; K33-L37 PolarHBondContact O-N 3.13Å; K33-L37 VanDerWaalsContact O-N 3.12Å
34A89.8Confident87.3Confident0 Ų077.7 Ų77.70%037%0.369CS..Hα-helixtrans-58.3-45.9179.100000112.2S8 C11 I12 F30 L31 R36 L37 C38 V47S8-A34 WeakPolarHBondContact CB-O 3.2Å; C11-A34 HydrophobicContact CB-CB 3.84Å; I12-A34 HydrophobicContact CD1-CB 4.45Å; I12-A34 HydrophobicContact CG1-CB 3.93Å; F30-A34 PolarHBondContact O-N 3.07Å; L31-A34 WeakPolarHBondContact O-CB 3.48Å; L31-A34 PolarHBondContact O-N 2.88Å; A34-R36 PolarHBondContact O-N 3.48Å; A34-L37 PolarHBondContact O-N 3.2Å; A34-C38 PolarHBondContact O-N 3.2Å; A34-V47 HydrophobicContact CB-CG2 4.21Å
35L88.2Confident87.2Confident56 Ų5677.9 Ų77.929%0.29337%0.37SS..Hα-helixtrans-59.9-43.9175-67.3174.2000112.5L31 K33 L37 C38 N39 V47L31-L35 PolarHBondContact O-N 3.37Å; K33-L35 PolarHBondContact O-N 2.9Å; L35-L37 PolarHBondContact O-N 3.03Å; L35-C38 PolarHBondContact O-N 3.27Å; L35-N39 PolarHBondContact O-OD1 3.04Å; L35-V47 HydrophobicContact CD1-CG1 3.7Å; L35-V47 HydrophobicContact CD2-CB 3.99Å; L35-V47 HydrophobicContact CD2-CG1 4.05Å; L35-V47 HydrophobicContact CD2-CG2 4.17Å; L35-V47 HydrophobicContact CG-CB 4.21Å; L35-V47 HydrophobicContact CG-CG1 3.79Å; L35-V47 HydrophobicContact CG-CG2 4.24Å
36R87Confident87Confident225 Ų22574.6 Ų74.685%0.84936%0.356SS*.Hα-helixtrans-65.7-22.1178.3-72.4-179.9178-168.5-2.1113.9R32 K33 A34R32-R36 WeakPolarHBondContact O-CG 3.25Å; R32-R36 PolarHBondContact O-N 3.08Å; K33-R36 PolarHBondContact O-N 2.92Å; A34-R36 PolarHBondContact O-N 3.48Å
37L85.8Confident86.8Confident31 Ų3170 Ų7016%0.16234%0.336CS..Hα-helixtrans-83.9-38.4179-79.1166000112.3N4 E7 K33 A34 L35N4-L37 WeakPolarHBondContact CB-O 3.35Å; N4-L37 PolarHBondContact ND2-O 2.87Å; E7-L37 HydrophobicContact CB-CD1 4.12Å; E7-L37 HydrophobicContact CG-CD1 4.05Å; E7-L37 WeakPolarHBondContact OE2-CD2 3.42Å; K33-L37 HydrophobicContact CD-CD1 4.35Å; K33-L37 HydrophobicContact CG-CD1 4.11Å; K33-L37 HydrophobicContact CG-CG 4.49Å; K33-L37 WeakPolarHBondContact O-CG 3.11Å; K33-L37 PolarHBondContact O-N 3.13Å; K33-L37 VanDerWaalsContact O-N 3.12Å; A34-L37 PolarHBondContact O-N 3.2Å; L35-L37 PolarHBondContact O-N 3.03Å
38C81.1Confident86.6Confident24 Ų2472.5 Ų72.516%0.16236%0.357CS..  trans-147.8111.3-174.9-166.10000112.8S8 A34 L35 N40 I43S8-C38 VanDerWaalsContact OG-CB 3.31Å; S8-C38 WeakPolarHBondContact OG-CB 3.26Å; A34-C38 PolarHBondContact O-N 3.2Å; L35-C38 PolarHBondContact O-N 3.27Å; C38-N40 VanDerWaalsContact C-N 3.29Å; C38-N40 PolarHBondContact O-N 3.07Å; C38-I43 HydrophobicContact CB-CD1 4.07Å
39N79.3Confident86.4Confident163 Ų16374.9 Ų74.987%0.87237%0.374SS*.  trans-76.677.7167.7-70.5-7.6000109.9L35L35-N39 PolarHBondContact O-OD1 3.04Å
40N82Confident86Confident45 Ų4570.2 Ų70.224%0.24135%0.354CS..  trans-123.1136.6173.9176.64.9000109.4C38 E42 I43 S44C38-N40 VanDerWaalsContact C-N 3.29Å; C38-N40 PolarHBondContact O-N 3.07Å; N40-E42 PolarHBondContact ND2-OE2 3.34Å; N40-E42 PolarHBondContact O-N 2.9Å; N40-E42 PolarHBondContact OD1-N 3.41Å; N40-I43 HydrophobicContact CB-CB 4.27Å; N40-I43 HydrophobicContact CB-CD1 4.24Å; N40-I43 HydrophobicContact CB-CG1 4.2Å; N40-I43 PolarHBondContact O-N 3.3Å; N40-I43 VanDerWaalsContact O-N 3.16Å; N40-S44 WeakPolarHBondContact O-CB 3.38Å; N40-S44 PolarHBondContact O-N 3.22Å
41E84.5Confident85.5Confident170 Ų17070.1 Ų70.179%0.79436%0.356SS*.Hα-helixtrans-60.5-40.9-177-171.6170-163.500112.8I43 S44 S45E41-I43 VanDerWaalsContact C-N 3.34Å; E41-I43 PolarHBondContact O-N 3.08Å; E41-S44 PolarHBondContact O-N 3.15Å; E41-S45 PolarHBondContact O-N 3.08Å; E41-S45 PolarHBondContact O-OG 3.41Å
42E83.8Confident85Confident97 Ų9773.5 Ų73.545%0.45338%0.384SS..Hα-helixtrans-55-50.4172.3-64.7171.8169.500111.2R5 N40 S45 I46R5-E42 IonicContact CZ-OE2 2.67Å; R5-E42 IonicContact NE-OE2 3.69Å; R5-E42 IonicContact NH2-OE1 3.17Å; R5-E42 PolarHBondContact NH2-OE1 3.42Å; R5-E42 IonicContact NH2-OE2 3.05Å; R5-E42 PolarHBondContact NH2-OE2 3.11Å; N40-E42 PolarHBondContact ND2-OE2 3.34Å; N40-E42 PolarHBondContact O-N 2.9Å; N40-E42 PolarHBondContact OD1-N 3.41Å; E42-S45 PolarHBondContact O-N 2.65Å; E42-S45 PolarHBondContact O-OG 2.85Å; E42-I46 WeakPolarHBondContact O-CG1 3.33Å; E42-I46 PolarHBondContact O-N 3.18Å
43I84.1Confident84.2Confident1 Ų169.6 Ų69.61%0.00538%0.383CS..Hα-helixtrans-68.7-39.4-175.8-65.8-174000109.9R5 S8 I12 C38 N40 E41 I46 V47R5-I43 HydrophobicContact CG-CD1 4.01Å; S8-I43 VanDerWaalsContact OG-CD1 3.31Å; S8-I43 WeakPolarHBondContact OG-CD1 2.86Å; I12-I43 HydrophobicContact CD1-CG2 3.98Å; C38-I43 HydrophobicContact CB-CD1 4.07Å; N40-I43 HydrophobicContact CB-CB 4.27Å; N40-I43 HydrophobicContact CB-CD1 4.24Å; N40-I43 HydrophobicContact CB-CG1 4.2Å; N40-I43 PolarHBondContact O-N 3.3Å; N40-I43 VanDerWaalsContact O-N 3.16Å; E41-I43 VanDerWaalsContact C-N 3.34Å; E41-I43 PolarHBondContact O-N 3.08Å; I43-I46 PolarHBondContact O-N 2.87Å; I43-V47 WeakPolarHBondContact O-CB 3.43Å; I43-V47 VanDerWaalsContact O-CG2 3.3Å; I43-V47 WeakPolarHBondContact O-CG2 3.48Å; I43-V47 PolarHBondContact O-N 3.4Å
44S85.8Confident83.1Confident60 Ų6067.7 Ų67.742%0.4238%0.375SS..Hα-helixtrans-60-47173.2-167.40000111.6N40 E41 I46 V47 A48N40-S44 WeakPolarHBondContact O-CB 3.38Å; N40-S44 PolarHBondContact O-N 3.22Å; E41-S44 PolarHBondContact O-N 3.15Å; S44-I46 PolarHBondContact O-N 2.97Å; S44-V47 PolarHBondContact O-N 3.33Å; S44-A48 VanDerWaalsContact O-CB 3.25Å; S44-A48 WeakPolarHBondContact O-CB 3.12Å; S44-A48 PolarHBondContact O-N 3.03Å
45S86.9Confident81.6Confident69 Ų6976.3 Ų76.348%0.48342%0.415SS..Hα-helixtrans-66.1-37.4178.770.30000113.2E41 E42 S49E41-S45 PolarHBondContact O-N 3.08Å; E41-S45 PolarHBondContact O-OG 3.41Å; E42-S45 PolarHBondContact O-N 2.65Å; E42-S45 PolarHBondContact O-OG 2.85Å; S45-S49 WeakPolarHBondContact O-CB 3.45Å; S45-S49 PolarHBondContact O-N 3.15Å; S45-S49 PolarHBondContact O-OG 3.1Å
46I85.7Confident79.8Confident57 Ų5779.1 Ų79.129%0.29244%0.437SS..Hα-helixtrans-67.3-40.5174-65.7163.3000110.9I12 E42 I43 S44 S49 L50I12-I46 HydrophobicContact CD1-CB 4.41Å; I12-I46 HydrophobicContact CD1-CG2 3.99Å; I12-I46 HydrophobicContact CG2-CG2 3.85Å; E42-I46 WeakPolarHBondContact O-CG1 3.33Å; E42-I46 PolarHBondContact O-N 3.18Å; I43-I46 PolarHBondContact O-N 2.87Å; S44-I46 PolarHBondContact O-N 2.97Å; I46-S49 PolarHBondContact O-OG 2.84Å; I46-L50 HydrophobicContact CG2-CD1 4.05Å; I46-L50 WeakPolarHBondContact O-CB 3.44Å; I46-L50 WeakPolarHBondContact O-CD1 3.37Å; I46-L50 VanDerWaalsContact O-CG 3.22Å; I46-L50 WeakPolarHBondContact O-CG 3.23Å; I46-L50 PolarHBondContact O-N 2.89Å; I46-L50 VanDerWaalsContact O-N 3.1Å
47V85.3Confident77.8Confident1 Ų172.7 Ų72.71%0.00643%0.431CS..Hα-helixtrans-69.3-41.7175.9169.80000111.3I12 L31 A34 L35 I43 S44 L50 L51I12-V47 HydrophobicContact CD1-CG2 4.1Å; I12-V47 HydrophobicContact CG1-CG2 4.15Å; L31-V47 HydrophobicContact CB-CG1 3.99Å; L31-V47 HydrophobicContact CD2-CG1 4.46Å; L31-V47 HydrophobicContact CD2-CG2 4.01Å; A34-V47 HydrophobicContact CB-CG2 4.21Å; L35-V47 HydrophobicContact CD1-CG1 3.7Å; L35-V47 HydrophobicContact CD2-CB 3.99Å; L35-V47 HydrophobicContact CD2-CG1 4.05Å; L35-V47 HydrophobicContact CD2-CG2 4.17Å; L35-V47 HydrophobicContact CG-CB 4.21Å; L35-V47 HydrophobicContact CG-CG1 3.79Å; L35-V47 HydrophobicContact CG-CG2 4.24Å; I43-V47 WeakPolarHBondContact O-CB 3.43Å; I43-V47 VanDerWaalsContact O-CG2 3.3Å; I43-V47 WeakPolarHBondContact O-CG2 3.48Å; I43-V47 PolarHBondContact O-N 3.4Å; S44-V47 PolarHBondContact O-N 3.33Å; V47-L50 PolarHBondContact O-N 2.92Å; V47-L51 HydrophobicContact CG1-CD1 3.68Å; V47-L51 HydrophobicContact CG1-CG 4.13Å; V47-L51 VanDerWaalsContact O-CB 3.32Å; V47-L51 WeakPolarHBondContact O-CB 3.49Å; V47-L51 VanDerWaalsContact O-CG 3.27Å; V47-L51 WeakPolarHBondContact O-CG 3.49Å; V47-L51 PolarHBondContact O-N 2.96Å
48A85.9Confident75.4Confident54 Ų5481 Ų8145%0.44647%0.466SS..Hα-helixtrans-65.7-45.5179.600000112.1S44 L51 A52S44-A48 VanDerWaalsContact O-CB 3.25Å; S44-A48 WeakPolarHBondContact O-CB 3.12Å; S44-A48 PolarHBondContact O-N 3.03Å; A48-L51 PolarHBondContact O-N 3.18Å; A48-A52 WeakPolarHBondContact O-CB 3.45Å; A48-A52 PolarHBondContact O-N 3.24Å
49S85.1Confident73.5Confident76 Ų7688.4 Ų88.453%0.53150%0.498SS..Hα-helixtrans-64.5-38.8175.652.80000112.4S45 I46 S53S45-S49 WeakPolarHBondContact O-CB 3.45Å; S45-S49 PolarHBondContact O-N 3.15Å; S45-S49 PolarHBondContact O-OG 3.1Å; I46-S49 PolarHBondContact O-OG 2.84Å; S49-S53 PolarHBondContact O-N 3.39Å
50L83.1Confident71.5Confident27 Ų2788.9 Ų88.914%0.14150%0.501CS..Hα-helixtrans-63.3-49.9170.8-73.7170.8000110.9I12 K16 L19 L31 I46 V47 A52 S53 F54I12-L50 HydrophobicContact CG2-CD1 4.1Å; K16-L50 HydrophobicContact CG-CD1 4.24Å; K16-L50 HydrophobicContact CG-CD2 4.47Å; L19-L50 HydrophobicContact CD1-CD2 4.07Å; L31-L50 HydrophobicContact CD1-CB 3.93Å; L31-L50 HydrophobicContact CD2-CB 4.26Å; L31-L50 HydrophobicContact CD2-CD1 3.73Å; I46-L50 HydrophobicContact CG2-CD1 4.05Å; I46-L50 WeakPolarHBondContact O-CB 3.44Å; I46-L50 WeakPolarHBondContact O-CD1 3.37Å; I46-L50 VanDerWaalsContact O-CG 3.22Å; I46-L50 WeakPolarHBondContact O-CG 3.23Å; I46-L50 PolarHBondContact O-N 2.89Å; I46-L50 VanDerWaalsContact O-N 3.1Å; V47-L50 PolarHBondContact O-N 2.92Å; L50-A52 VanDerWaalsContact C-N 3.32Å; L50-A52 PolarHBondContact O-N 3.42Å; L50-S53 PolarHBondContact O-N 3.16Å; L50-S53 VanDerWaalsContact O-N 3.08Å; L50-S53 PolarHBondContact O-OG 2.98Å; L50-F54 WeakPolarHBondContact O-CD2 3.47Å; L50-F54 WeakPolarHBondContact O-CE2 3.22Å
51L82.2Confident69.3Low62 Ų6290.3 Ų90.333%0.32553%0.526SS..Hα-helixtrans-60.6-36.4179.9-75.7175.4000113.2L31 V47 A48 S53 F54L31-L51 HydrophobicContact CB-CD2 4.44Å; L31-L51 HydrophobicContact CD1-CD2 3.84Å; L31-L51 HydrophobicContact CD1-CG 4.06Å; V47-L51 HydrophobicContact CG1-CD1 3.68Å; V47-L51 HydrophobicContact CG1-CG 4.13Å; V47-L51 VanDerWaalsContact O-CB 3.32Å; V47-L51 WeakPolarHBondContact O-CB 3.49Å; V47-L51 VanDerWaalsContact O-CG 3.27Å; V47-L51 WeakPolarHBondContact O-CG 3.49Å; V47-L51 PolarHBondContact O-N 2.96Å; A48-L51 PolarHBondContact O-N 3.18Å; L51-S53 VanDerWaalsContact C-N 3.25Å; L51-S53 PolarHBondContact O-N 3.38Å; L51-F54 HydrophobicContact CD2-CD2 4.35Å; L51-F54 HydrophobicContact CD2-CE2 4.34Å; L51-F54 WeakPolarHBondContact O-CB 3.47Å; L51-F54 PolarHBondContact O-N 3.1Å; L51-F54 VanDerWaalsContact O-N 3.09Å
52A79.3Confident66.8Low71 Ų7189.6 Ų89.659%0.58753%0.534SS*.Hα-helixtrans-61.9-32.117500000112.6A48 L50 F54A48-A52 WeakPolarHBondContact O-CB 3.45Å; A48-A52 PolarHBondContact O-N 3.24Å; L50-A52 VanDerWaalsContact C-N 3.32Å; L50-A52 PolarHBondContact O-N 3.42Å; A52-F54 PolarHBondContact O-N 3.43Å
53S73.3Confident64.5Low86 Ų8689.7 Ų89.760%0.60155%0.551SS**THydrogen-bonded Turntrans-75.22.5174.869.70000115.3S49 L50 L51S49-S53 PolarHBondContact O-N 3.39Å; L50-S53 PolarHBondContact O-N 3.16Å; L50-S53 VanDerWaalsContact O-N 3.08Å; L50-S53 PolarHBondContact O-OG 2.98Å; L51-S53 VanDerWaalsContact C-N 3.25Å; L51-S53 PolarHBondContact O-N 3.38Å
54F67.1Low61.9Low47 Ų4793.7 Ų93.721%0.20659%0.592CS.*THydrogen-bonded Turntrans-91.1-14.5176.8-75.6-104000114.6L19 S24 A27 L31 L50 L51 A52 P56L19-F54 HydrophobicContact CD1-CE2 4.26Å; L19-F54 HydrophobicContact CD1-CZ 4.08Å; L19-F54 HydrophobicContact CD2-CE1 3.77Å; L19-F54 HydrophobicContact CD2-CE2 4.14Å; L19-F54 HydrophobicContact CD2-CZ 3.57Å; L19-F54 HydrophobicContact CG-CZ 3.97Å; S24-F54 WeakPolarHBondContact O-CE1 3.38Å; A27-F54 HydrophobicContact CB-CE1 4.07Å; A27-F54 HydrophobicContact CB-CZ 3.79Å; L31-F54 HydrophobicContact CD1-CE2 3.66Å; L31-F54 HydrophobicContact CD1-CZ 3.93Å; L50-F54 WeakPolarHBondContact O-CD2 3.47Å; L50-F54 WeakPolarHBondContact O-CE2 3.22Å; L51-F54 HydrophobicContact CD2-CD2 4.35Å; L51-F54 HydrophobicContact CD2-CE2 4.34Å; L51-F54 WeakPolarHBondContact O-CB 3.47Å; L51-F54 PolarHBondContact O-N 3.1Å; L51-F54 VanDerWaalsContact O-N 3.09Å; A52-F54 PolarHBondContact O-N 3.43Å; F54-P56 WeakPolarHBondContact O-CD 3.35Å
55E58.3Low59.3Low181 Ų181100.4 Ų100.485%0.84661%0.614SS**  trans-54.5106.9-170.1-73.4-150.4140.500111.7A57E55-A57 PolarHBondContact O-N 2.9Å
56P49.9Very low56.7Low115 Ų115100.5 Ų100.575%0.74762%0.619SS**  trans-85120.8-173.331.7-27.8000108.3F54 K58F54-P56 WeakPolarHBondContact O-CD 3.35Å; P56-K58 PolarHBondContact O-N 3.16Å; P56-K58 VanDerWaalsContact O-N 3.12Å
57A44.5Very low54Low89 Ų89103 Ų10374%0.73664%0.641SS**  trans-53.5121.3175.300000110E55 Q59E55-A57 PolarHBondContact O-N 2.9Å; A57-Q59 PolarHBondContact O-N 3.27Å
58K35.8Very low51.6Low206 Ų206109 Ų10990%0.89668%0.678SS**  trans-55.6112-177.9-72177.6178.4175.80110.6P56P56-K58 PolarHBondContact O-N 3.16Å; P56-K58 VanDerWaalsContact O-N 3.12Å
59Q42.4Very low49.1Very low180 Ų180115.2 Ų115.284%0.84170%0.695SS**  trans-129.2133.6164-65.6-165.35.300109.4A57 G61A57-Q59 PolarHBondContact O-N 3.27Å; Q59-G61 PolarHBondContact O-N 3.3Å
60N35.8Very low46.4Very low173 Ų173120 Ų12093%0.92571%0.71SS**  trans-78.8120.2-176.3-60.3-31.5000109.2
61G36.3Very low44.1Very low74 Ų74122.8 Ų122.876%0.76374%0.736SS**  trans-152.493.7-178.800000112Q59 A63Q59-G61 PolarHBondContact O-N 3.3Å; G61-A63 PolarHBondContact O-N 2.73Å
62T32.5Very low41.6Very low156 Ų156128.6 Ų128.696%0.95776%0.762SS**  trans-78.7100.917748.60000111.1
63A35.5Very low39.6Very low99 Ų99136.7 Ų136.782%0.81878%0.777SS**  trans-142.8135167.400000109.5G61G61-A63 PolarHBondContact O-N 2.73Å
64G28.8Very low38.1Very low84 Ų84139.7 Ų139.787%0.86679%0.786SS**  trans-81.9147.5-161.700000115.9
65F30.9Very low36.4Very low202 Ų202143 Ų14389%0.88681%0.814SS**  trans-126.1123.4135.1-168.7-97.1000107.9
66A32.5Very low35.1Very low71 Ų71141.9 Ų141.959%0.58781%0.807SS**  trans-98144.3-16900000112.7
67S30.4Very low34.3Very low108 Ų108145.3 Ų145.376%0.75581%0.812SS**  trans8.1126.315458.80000119.1
68T33.7Very low33.8Very low127 Ų127145.6 Ų145.678%0.77981%0.807SS**  trans-137.2107.5142.9160000110.2
69F32.8Very low33.8Very low185 Ų185140.8 Ų140.881%0.81180%0.799SS**  trans60.783.7165-74.8-92.8000118.5
70E29.7Very low33.6Very low177 Ų177141.3 Ų141.383%0.82780%0.801SS**  -52.2136.5122.6-64.6155.1132.100109.2
71A33.7Very low33.6Very low85 Ų85138.7 Ų138.770%0.70280%0.796SS**  trans-142.443176.700000111.1R73A71-R73 PolarHBondContact O-N 2.93Å; A71-R73 VanDerWaalsContact O-N 3.08Å
72E31.4Very low33.5Very low185 Ų185143.3 Ų143.386%0.86480%0.798SS**  trans-62.9106.3164.4-68.8-172.4110.100109.4
73R37.4Very low33.7Very low241 Ų241142.2 Ų142.291%0.90979%0.794SS**  trans-151.7127.5160.4-110.6161.5-153.3-156.73.3110.8A71A71-R73 PolarHBondContact O-N 2.93Å; A71-R73 VanDerWaalsContact O-N 3.08Å
74N39.8Very low33.5Very low148 Ų148141.8 Ų141.879%0.79179%0.785SS**  trans-64.9141.9-175.8-60-39.1000111.7F76N74-F76 HydrophobicContact CB-CB 4.18Å; N74-F76 PolarHBondContact O-N 2.78Å
75C31.7Very low33.9Very low116 Ų116148.4 Ų148.478%0.78479%0.79SS**  trans-66.685.1159.2-56.90000108.9
76F31.8Very low34.2Very low159 Ų159147.1 Ų147.170%0.69779%0.787SS**  trans-140107.7-179-164.2-84.9000111.6N74 P78N74-F76 HydrophobicContact CB-CB 4.18Å; N74-F76 PolarHBondContact O-N 2.78Å; F76-P78 HydrophobicContact CE1-CB 4.43Å; F76-P78 HydrophobicContact CE1-CG 4.08Å
77H32.6Very low34.1Very low187 Ų187149.2 Ų149.287%0.86680%0.797SS**  trans-143.8126.9156.6-127.9-87.3000109.2
78P34.2Very low34.7Very low95 Ų95149.7 Ų149.762%0.61780%0.801SS**  trans-98.4130.4-170.534.9-32.9000113.6F76F76-P78 HydrophobicContact CE1-CB 4.43Å; F76-P78 HydrophobicContact CE1-CG 4.08Å
79S37Very low34.8Very low104 Ų104152.6 Ų152.673%0.72781%0.805SS**  trans-154.2113.9156.657.70000111.3
80Q37Very low35.1Very low192 Ų192152.8 Ų152.890%0.89781%0.809SS**  trans26.5127.7141.6-50.9175.830.200117.8
81S36.3Very low35.4Very low117 Ų117149.6 Ų149.682%0.81880%0.803SS**  cis-158.2162.616.652.50000112.6
82Q33.1Very low35.7Very low172 Ų172151 Ų15180%0.80481%0.808SS**  trans-101.4165.4163.6-71.4-172.1-24.300109.9
83P37.5Very low36.2Very low133 Ų133148.9 Ų148.986%0.86481%0.808SS**  -130.3151.998.536.4-29.2000114.5
84S32.1Very low36.3Very low89 Ų89142.4 Ų142.462%0.62281%0.806SS**  trans-76.3153.2176.753.10000113.4
85F36.3Very low36.4Very low224 Ų224139.1 Ų139.198%0.98281%0.807SS**  trans-131.2150.5148.5-113.6-87.9000110.8
86Q37.9Very low37Very low175 Ų175139.6 Ų139.682%0.81880%0.802SS**  trans-118.9144.9-152.9-162168.14.200111.7
87S30.8Very low37.6Very low114 Ų114139.6 Ų139.680%0.79780%0.801SS**  trans-85.4131.6176.858.30000111.8
88S41.6Very low38.2Very low119 Ų119138.8 Ų138.883%0.83280%0.798SS**  trans-125.1139.2164.6-640000110.3
89Q36.1Very low38.5Very low188 Ų188139.7 Ų139.788%0.87981%0.807SS**  trans-85.8160.3167.3-61.5165-52.200109.3
90E38.2Very low38.8Very low189 Ų189138.3 Ų138.388%0.88381%0.809SS**  -179.6150.6129.4-82.1-125.4102.500109.9
91P37.7Very low39.1Very low110 Ų110140.5 Ų140.571%0.71481%0.809SS**  trans-117.3-174.9-178.442.3-33.3000115
92S39.4Very low39.4Very low115 Ų115143.8 Ų143.880%0.80481%0.813SS**  trans79.4160179.183.20000115.2
93T41.7Very low39.8Very low139 Ų139138.6 Ų138.685%0.85381%0.807SS**  cis-128.4-175.27.442.90000113.1
94A39.8Very low40.2Very low106 Ų106140.4 Ų140.488%0.87680%0.803SS**  trans-103.8168.2-172.700000115.8
95G42.5Very low40.7Very low79 Ų79145.4 Ų145.481%0.81481%0.809SS**  trans-154.6155.3171.200000111.2
96D43.1Very low41Very low125 Ų125141 Ų14167%0.66880%0.796SS**  trans-153.5161.9-154.8-177.227.8000114.5
97K45.4Very low41.1Very low159 Ų159135.9 Ų135.969%0.69179%0.789SS**  trans69159.3169.9-68.7154.7179.4117.50117.5
98Q44.5Very low41.6Very low171 Ų171140.8 Ų140.880%0.79979%0.79SS**  cis-172.4173.7-15.1-106.3-179.4100108.7
99S41.6Very low41.6Very low114 Ų114144.7 Ų144.780%0.79779%0.787SS**  cis-169.1163.2-18.1-170.10000110.8
100G42Very low42.1Very low75 Ų75141.9 Ų141.977%0.77378%0.778SS**  trans91.3163.1164.100000117.2
101R42.9Very low42.2Very low237 Ų237141.3 Ų141.389%0.89478%0.775SS**  cis-165.5106.9-3.2-174.8178.7-168.3-173.14.6108.6
102M43.8Very low42.4Very low186 Ų186139.5 Ų139.592%0.91678%0.777SS**  80.9120.591-164.6-177.7-171.300117.7
103G41.5Very low42.3Very low64 Ų64142.7 Ų142.766%0.6678%0.784SS**  trans157.7105.3169.300000111.8
104Q46Very low42.4Very low170 Ų170147.5 Ų147.579%0.79479%0.786SS**  62.3133.594.8-67.9-165.723.200115.2
105R42.3Very low42.5Very low195 Ų195150.5 Ų150.574%0.73678%0.782SS**  cis-161.1151.113.3-131.4-175.7142.3155.7-2.9115.2
106D43.1Very low42.1Very low132 Ų132159 Ų15971%0.70679%0.79SS**  trans31.1131.8151.9-49-18.9000123.7
107G40.1Very low42.3Very low66 Ų66157.7 Ų157.768%0.6879%0.79SS**  trans173.668.1166.700000121.5
108W41.1Very low42.2Very low218 Ų218155 Ų15583%0.82680%0.797SS**  trans62.696.1152.8-58.591.6000123.7
109R41.1Very low42.5Very low200 Ų200152.4 Ų152.476%0.75580%0.798SS**  trans61.4121.1131.8-61-174-173.9-120.5-0.6123.3
110N46.6Very low43.2Very low130 Ų130157.9 Ų157.970%0.69580%0.801SS**  trans50.8139.2132-63.536.7000121
111E40.9Very low43.5Very low177 Ų177160.7 Ų160.783%0.82781%0.806SS**  cis-159.11662.8-126.1165.7124.300112
112G40.5Very low43.5Very low72 Ų72160.1 Ų160.174%0.74280%0.804SS**  trans107.7-9.9153.400000120.2R114G112-R114 PolarHBondContact O-N 3.48Å
113L37.7Very low44Very low182 Ų182154.9 Ų154.995%0.95379%0.79SS**  trans-78.882.7-179.9-88.4158.7000113.2Q115L113-Q115 PolarHBondContact O-N 2.95Å; L113-Q115 VanDerWaalsContact O-N 3.1Å
114R44.8Very low44.4Very low240 Ų240158.1 Ų158.191%0.90680%0.799SS**  trans-68.2103.1173.9-86.2-174.3169-179.1-2.7112.4G112G112-R114 PolarHBondContact O-N 3.48Å
115Q40.2Very low44.4Very low169 Ų169154.2 Ų154.279%0.7979%0.791SS**  trans22.4101.8146.5-67.8172.3-18.300116.9L113 S117L113-Q115 PolarHBondContact O-N 2.95Å; L113-Q115 VanDerWaalsContact O-N 3.1Å; Q115-S117 VanDerWaalsContact C-N 3.28Å; Q115-S117 PolarHBondContact O-N 3.41Å
116R36Very low45Very low258 Ų258151.6 Ų151.697%0.97479%0.792SS**  trans-69.982.5160.5-84-177.2163.5-173.3-4.5110.4A118R116-A118 PolarHBondContact O-N 3.33Å
117S46.1Very low45.2Very low97 Ų97150 Ų15068%0.67879%0.789SS**  trans-63.3122.6167-64.10000109.8Q115 S119Q115-S117 VanDerWaalsContact C-N 3.28Å; Q115-S117 PolarHBondContact O-N 3.41Å; S117-S119 PolarHBondContact O-N 3.49Å
118A44.6Very low45.5Very low102 Ų102156.1 Ų156.184%0.84380%0.799SS**  trans-7095.2-179.900000110.8R116 R120R116-A118 PolarHBondContact O-N 3.33Å; A118-R120 PolarHBondContact O-N 3.27Å
119S50.6Low45.8Very low116 Ų116151.3 Ų151.381%0.81179%0.789SS**  trans-66.4119173.129.40000110.2S117S117-S119 PolarHBondContact O-N 3.49Å
120R55Low46.1Very low229 Ų229150 Ų15086%0.86479%0.791SS**  trans-53.1150.6171.6-70.1177170.9-178.9-4.9110.5A118 R122A118-R120 PolarHBondContact O-N 3.27Å; R120-R122 PolarHBondContact O-N 3.48Å
121P49.3Very low46.7Very low134 Ų134145.8 Ų145.887%0.8777%0.77SS**  trans-54.5115171-21.932.6000109.7A123P121-A123 PolarHBondContact O-N 3.18Å
122R42.1Very low47.7Very low225 Ų225143.8 Ų143.885%0.84977%0.765SS**  trans-74.6110.2176.5-161.3-179.9-161.9-156.34.3106.8R120R120-R122 PolarHBondContact O-N 3.48Å
123A54.1Low49Very low77 Ų77144.2 Ų144.264%0.63675%0.745SS**  trans-51.4144.8173.600000109.9P121 S125P121-A123 PolarHBondContact O-N 3.18Å; A123-S125 PolarHBondContact O-N 3.13Å
124P50.2Low50.9Low131 Ų131137.7 Ų137.785%0.85172%0.715SS**  trans-64.198.9-177.126.2-34000109.7N126P124-N126 PolarHBondContact O-N 2.93Å
125S46.3Very low52.6Low88 Ų88133.7 Ų133.762%0.61571%0.706SS**  trans-71.383.5175.156.70000108.6A123 P127A123-S125 PolarHBondContact O-N 3.13Å; S125-P127 WeakPolarHBondContact O-CD 3.3Å; S125-P127 VanDerWaalsContact O-N 3.14Å
126N55.1Low54.6Low141 Ų141132.8 Ų132.875%0.75470%0.702SS**  trans-56.6114.9177-169.722.6000108.4P124 Q128P124-N126 PolarHBondContact O-N 2.93Å; N126-Q128 PolarHBondContact O-N 2.83Å
127P47.2Very low56.8Low99 Ų99123.2 Ų123.264%0.64367%0.67SS**  trans-68.8110.6-17527-32.9000108.9S125 L129S125-P127 WeakPolarHBondContact O-CD 3.3Å; S125-P127 VanDerWaalsContact O-N 3.14Å; P127-L129 PolarHBondContact O-N 3.38Å
128Q45.5Very low58.6Low194 Ų194121.2 Ų121.291%0.90765%0.651SS**  trans-68.681.2170.3-74.2-179.2-58.300109.3N126 H130N126-Q128 PolarHBondContact O-N 2.83Å; Q128-H130 PolarHBondContact O-N 3.39Å; Q128-H130 VanDerWaalsContact O-N 3.15Å
129L47.8Very low60.6Low116 Ų116121.7 Ų121.761%0.60764%0.636SS**  trans-60112.1158.9-123.990000106.5P127 V131P127-L129 PolarHBondContact O-N 3.38Å; L129-V131 HydrophobicContact CB-CG2 4.26Å; L129-V131 HydrophobicContact CD2-CG2 3.99Å; L129-V131 PolarHBondContact O-N 3.49Å
130H48Very low62.3Low173 Ų173116.9 Ų116.980%0.80160%0.604SS**  trans-7382.6173.2-156.6-71.3000108.2Q128 D132Q128-H130 PolarHBondContact O-N 3.39Å; Q128-H130 VanDerWaalsContact O-N 3.15Å; H130-D132 IonicContact CE1-OD1 2.76Å; H130-D132 PolarHBondContact CE1-OD1 3.02Å; H130-D132 VanDerWaalsContact CE1-OD1 3.3Å; H130-D132 IonicContact ND1-OD1 2.67Å; H130-D132 PolarHBondContact ND1-OD1 2.97Å
131V58.5Low63.8Low42 Ų42106 Ų10626%0.25556%0.563SS.*  trans-95.2124168178.50000106.2L129 Y133 R182L129-V131 HydrophobicContact CB-CG2 4.26Å; L129-V131 HydrophobicContact CD2-CG2 3.99Å; L129-V131 PolarHBondContact O-N 3.49Å; V131-Y133 HydrophobicContact CB-CD1 4.41Å; V131-Y133 HydrophobicContact CB-CE1 3.69Å; V131-Y133 HydrophobicContact CG1-CD1 4.12Å; V131-Y133 HydrophobicContact CG1-CE1 3.7Å; V131-Y133 WeakPolarHBondContact O-CD2 3.43Å; V131-Y133 WeakPolarHBondContact O-CE2 3.25Å; V131-Y133 PolarHBondContact O-N 3.14Å; V131-R182 HydrophobicContact CG1-CB 4.4Å
132D61.6Low65.6Low134 Ų134103.5 Ų103.572%0.71754%0.539SS*.  trans-75.296-175.7-50.4-43.6000109.2H130H130-D132 IonicContact CE1-OD1 2.76Å; H130-D132 PolarHBondContact CE1-OD1 3.02Å; H130-D132 VanDerWaalsContact CE1-OD1 3.3Å; H130-D132 IonicContact ND1-OD1 2.67Å; H130-D132 PolarHBondContact ND1-OD1 2.97Å
133Y68.1Low67.8Low82 Ų8299.1 Ų99.132%0.32252%0.523SS..  trans-78.1142.9178-53-56.2000110.8V131 L138 R182 V183V131-Y133 HydrophobicContact CB-CD1 4.41Å; V131-Y133 HydrophobicContact CB-CE1 3.69Å; V131-Y133 HydrophobicContact CG1-CD1 4.12Å; V131-Y133 HydrophobicContact CG1-CE1 3.7Å; V131-Y133 WeakPolarHBondContact O-CD2 3.43Å; V131-Y133 WeakPolarHBondContact O-CE2 3.25Å; V131-Y133 PolarHBondContact O-N 3.14Å; Y133-L138 HydrophobicContact CD2-CD1 4.46Å; Y133-R182 HydrophobicContact CE1-CB 3.94Å; Y133-R182 WeakPolarHBondContact CE1-O 3.35Å; Y133-R182 PolarHBondContact OH-O 3.42Å; Y133-V183 HydrophobicContact CD1-CB 4.28Å; Y133-V183 HydrophobicContact CD1-CG2 3.47Å; Y133-V183 VanDerWaalsContact CD1-CG2 3.47Å; Y133-V183 HydrophobicContact CE1-CG2 4.22Å; Y133-V183 HydrophobicContact CG-CG2 3.72Å
134S78.5Confident69.4Low45 Ų4596 Ų9632%0.31550%0.496SS..  trans-68.3138.5164-166.50000109.5E136 D137 L138S134-E136 PolarHBondContact O-N 2.94Å; S134-E136 PolarHBondContact OG-N 3.02Å; S134-D137 VanDerWaalsContact CB-OD2 3.23Å; S134-D137 WeakPolarHBondContact CB-OD2 3.39Å; S134-D137 PolarHBondContact O-N 3.46Å; S134-D137 VanDerWaalsContact O-N 3.11Å; S134-L138 PolarHBondContact O-N 2.76Å; S134-L138 VanDerWaalsContact O-N 3.08Å
135E80.3Confident71.1Confident155 Ų15595.6 Ų95.672%0.72448%0.477SS*.Hα-helixtrans-59.3-37.6170.8-171162.6-148.900110.5D137 L138 E139E135-D137 VanDerWaalsContact C-N 3.31Å; E135-D137 PolarHBondContact O-N 2.81Å; E135-L138 WeakPolarHBondContact O-CB 3.33Å; E135-L138 PolarHBondContact O-N 2.82Å; E135-E139 PolarHBondContact O-N 3.45Å
136E82.4Confident73Confident150 Ų150100.2 Ų100.270%0.70148%0.481SS*.Hα-helixtrans-56.7-40.2173-56.3176.4167.400112.7S134 A140S134-E136 PolarHBondContact O-N 2.94Å; S134-E136 PolarHBondContact OG-N 3.02Å; E136-A140 VanDerWaalsContact O-CB 3.25Å; E136-A140 WeakPolarHBondContact O-CB 3.47Å; E136-A140 PolarHBondContact O-N 3.2Å
137D81.9Confident74.3Confident58 Ų5894.7 Ų94.731%0.3145%0.453SS..Hα-helixtrans-74.3-38.9179.4-70.5-47.2000111.2S134 E135 A140 V141 V183S134-D137 VanDerWaalsContact CB-OD2 3.23Å; S134-D137 WeakPolarHBondContact CB-OD2 3.39Å; S134-D137 PolarHBondContact O-N 3.46Å; S134-D137 VanDerWaalsContact O-N 3.11Å; E135-D137 VanDerWaalsContact C-N 3.31Å; E135-D137 PolarHBondContact O-N 2.81Å; D137-A140 PolarHBondContact O-N 3Å; D137-V141 WeakPolarHBondContact O-CG2 3.39Å; D137-V141 PolarHBondContact O-N 3.32Å; D137-V183 HydrophobicContact CB-CG2 4.06Å
138L84.5Confident76Confident54 Ų5496 Ų9628%0.28345%0.448SS..Hα-helixtrans-61.6-46.6173.9-89.7159.3000111.6Y133 S134 E135 A140 Q142 V183 P184Y133-L138 HydrophobicContact CD2-CD1 4.46Å; S134-L138 PolarHBondContact O-N 2.76Å; S134-L138 VanDerWaalsContact O-N 3.08Å; E135-L138 WeakPolarHBondContact O-CB 3.33Å; E135-L138 PolarHBondContact O-N 2.82Å; L138-A140 VanDerWaalsContact C-N 3.35Å; L138-Q142 WeakPolarHBondContact O-CB 3.31Å; L138-Q142 WeakPolarHBondContact O-CG 3.41Å; L138-Q142 PolarHBondContact O-N 2.95Å; L138-V183 HydrophobicContact CD2-CG1 3.66Å; L138-V183 HydrophobicContact CG-CG1 4.02Å; L138-V183 HydrophobicContact CG-CG2 4.32Å; L138-P184 HydrophobicContact CD2-CG 4.32Å
139E86.6Confident78.1Confident112 Ų11290.2 Ų90.252%0.52342%0.424SS..Hα-helixtrans-62.1-41.8172.9-73-161.4155.700112E135 Q142 R143E135-E139 PolarHBondContact O-N 3.45Å; E139-Q142 PolarHBondContact O-N 3.18Å; E139-R143 WeakPolarHBondContact O-CB 3.3Å; E139-R143 PolarHBondContact O-N 3.03Å; E139-R143 IonicContact OE2-NH2 2.75Å
140A85.9Confident80.2Confident16 Ų1686.6 Ų86.613%0.13240%0.402CS..Hα-helixtrans-68.1-38.3-178.300000112.6E136 D137 L138 R143 I144 F176E136-A140 VanDerWaalsContact O-CB 3.25Å; E136-A140 WeakPolarHBondContact O-CB 3.47Å; E136-A140 PolarHBondContact O-N 3.2Å; D137-A140 PolarHBondContact O-N 3Å; L138-A140 VanDerWaalsContact C-N 3.35Å; A140-R143 PolarHBondContact O-N 3.34Å; A140-I144 PolarHBondContact O-N 3.01Å; A140-F176 HydrophobicContact CB-CE1 4.24Å; A140-F176 HydrophobicContact CB-CZ 3.75Å
141V86.4Confident82.4Confident1 Ų178.9 Ų78.91%0.00637%0.366CS..Hα-helixtrans-60.4-46.2168.7167.90000110.6D137 R143 R145 F176 V183 G185 A186 A189D137-V141 WeakPolarHBondContact O-CG2 3.39Å; D137-V141 PolarHBondContact O-N 3.32Å; V141-R143 PolarHBondContact O-N 2.9Å; V141-R145 WeakPolarHBondContact O-CB 3.33Å; V141-R145 VanDerWaalsContact O-CG 3.32Å; V141-R145 WeakPolarHBondContact O-CG 3.36Å; V141-R145 PolarHBondContact O-N 3.49Å; V141-R145 VanDerWaalsContact O-N 3.07Å; V141-F176 HydrophobicContact CB-CE1 4.37Å; V141-F176 HydrophobicContact CG2-CD1 3.77Å; V141-F176 HydrophobicContact CG2-CE1 3.55Å; V141-V183 HydrophobicContact CB-CG1 3.96Å; V141-V183 HydrophobicContact CG1-CG1 4.2Å; V141-V183 HydrophobicContact CG2-CB 4.09Å; V141-V183 HydrophobicContact CG2-CG1 3.63Å; V141-G185 VanDerWaalsContact CG1-C 3.46Å; V141-A186 HydrophobicContact CG2-CB 4.07Å; V141-A189 HydrophobicContact CG1-CB 4.38Å
142Q87Confident83.9Confident81 Ų8182 Ų8238%0.37938%0.378SS..Hα-helixtrans-66-37.1-179.6-75.1-173.861.600113L138 E139 R145 R146L138-Q142 WeakPolarHBondContact O-CB 3.31Å; L138-Q142 WeakPolarHBondContact O-CG 3.41Å; L138-Q142 PolarHBondContact O-N 2.95Å; E139-Q142 PolarHBondContact O-N 3.18Å; Q142-R145 PolarHBondContact O-N 2.79Å; Q142-R146 WeakPolarHBondContact O-CG 3.39Å; Q142-R146 PolarHBondContact O-N 3.32Å; Q142-R146 VanDerWaalsContact O-N 3.13Å
143R88.5Confident85.3Confident133 Ų13376 Ų7650%0.50235%0.346SS..Hα-helixtrans-61.3-52176.9-165.8-175.5-51.5108.28.2110.8E139 A140 V141 R145 R146 C147E139-R143 WeakPolarHBondContact O-CB 3.3Å; E139-R143 PolarHBondContact O-N 3.03Å; E139-R143 IonicContact OE2-NH2 2.75Å; A140-R143 PolarHBondContact O-N 3.34Å; V141-R143 PolarHBondContact O-N 2.9Å; R143-R145 VanDerWaalsContact C-N 3.28Å; R143-R145 PolarHBondContact O-N 3.42Å; R143-R146 PolarHBondContact O-N 3.49Å; R143-C147 PolarHBondContact O-N 3.47Å
144I87.7Confident86.4Confident12 Ų1272.2 Ų72.26%0.06233%0.331CS..Hα-helixtrans-65.1-31.1179.8-66.1-178.6000112.1A140 R146 I153 L172 F176 A189 A192 I193A140-I144 PolarHBondContact O-N 3.01Å; I144-R146 VanDerWaalsContact C-N 3.31Å; I144-I153 HydrophobicContact CG2-CG2 4.17Å; I144-L172 HydrophobicContact CD1-CD2 4.38Å; I144-F176 HydrophobicContact CD1-CD2 4.13Å; I144-F176 HydrophobicContact CD1-CE1 4.41Å; I144-F176 HydrophobicContact CD1-CE2 3.46Å; I144-F176 VanDerWaalsContact CD1-CE2 3.46Å; I144-F176 HydrophobicContact CD1-CZ 3.62Å; I144-A189 HydrophobicContact CB-CB 4.13Å; I144-A189 HydrophobicContact CG2-CB 3.86Å; I144-A192 HydrophobicContact CG2-CB 4.01Å; I144-I193 HydrophobicContact CD1-CD1 3.8Å; I144-I193 HydrophobicContact CD1-CG1 4.07Å; I144-I193 HydrophobicContact CG2-CG1 4.22Å
145R84.7Confident87Confident122 Ų12272.7 Ų72.746%0.4634%0.344SS..THydrogen-bonded Turntrans-77.7-9.8173.5-69174.974.6-130.44.8114.3V141 Q142 R143 E188 A189V141-R145 WeakPolarHBondContact O-CB 3.33Å; V141-R145 VanDerWaalsContact O-CG 3.32Å; V141-R145 WeakPolarHBondContact O-CG 3.36Å; V141-R145 PolarHBondContact O-N 3.49Å; V141-R145 VanDerWaalsContact O-N 3.07Å; Q142-R145 PolarHBondContact O-N 2.79Å; R143-R145 VanDerWaalsContact C-N 3.28Å; R143-R145 PolarHBondContact O-N 3.42Å; R145-E188 HydrophobicContact CG-CB 4.33Å; R145-E188 IonicContact CZ-OE2 2.71Å; R145-E188 IonicContact NE-OE2 3.53Å; R145-E188 PolarHBondContact NE-OE2 2.88Å; R145-E188 IonicContact NH2-OE1 3.63Å; R145-E188 PolarHBondContact NH2-OE1 3.3Å; R145-E188 IonicContact NH2-OE2 2.66Å; R145-E188 PolarHBondContact NH2-OE2 3.15Å; R145-A189 HydrophobicContact CG-CB 4.44Å
146R86.2Confident87.5Confident184 Ų18466.3 Ų66.369%0.69431%0.314SS*.THydrogen-bonded Turntrans-102-36.6176.5-71171.4-164.1-168.59112.4Q142 R143 I144 K148Q142-R146 WeakPolarHBondContact O-CG 3.39Å; Q142-R146 PolarHBondContact O-N 3.32Å; Q142-R146 VanDerWaalsContact O-N 3.13Å; R143-R146 PolarHBondContact O-N 3.49Å; I144-R146 VanDerWaalsContact C-N 3.31Å; R146-K148 PolarHBondContact O-N 2.88Å
147C83.8Confident87.9Confident25 Ų2562.7 Ų62.717%0.16931%0.305CS..  trans-64.2129.5172.3-70.90000110.4R143 E152 I153R143-C147 PolarHBondContact O-N 3.47Å; C147-E152 HydrophobicContact CB-CB 4.09Å; C147-E152 PolarHBondContact SG-OE2 3.43Å; C147-I153 HydrophobicContact CB-CG1 3.96Å
148K81.5Confident88.2Confident126 Ų12666.1 Ų66.155%0.54832%0.318SS..  trans-91.4-32.4169.5-71.3-160.1171-150.10112.3R146 Q214 E216R146-K148 PolarHBondContact O-N 2.88Å; K148-Q214 PolarHBondContact O-NE2 3Å; K148-E216 IonicContact NZ-OE1 2.58Å
149D90.2Very high88.4Confident74 Ų7470.7 Ų70.740%0.39634%0.342SS..  trans-75.9129.3-172.2-78-7.3000112.9Y151 E152 I153 Y209D149-Y151 PolarHBondContact O-N 3.17Å; D149-E152 HydrophobicContact CB-CB 4.35Å; D149-E152 HydrophobicContact CB-CG 4.09Å; D149-E152 PolarHBondContact O-N 2.91Å; D149-I153 WeakPolarHBondContact O-CG1 3.29Å; D149-I153 PolarHBondContact O-N 3.22Å; D149-Y209 VanDerWaalsContact CA-OH 3.3Å; D149-Y209 WeakPolarHBondContact CA-OH 3.31Å; D149-Y209 PolarHBondContact OD1-OH 3.36Å
150Y92.7Very high88.6Confident39 Ų3966.5 Ų66.515%0.15332%0.322CS..Hα-helixtrans-62.7-29.5-178-61.1-37.7000112.8I153 L154 A196 V199 Y209 Q214Y150-I153 HydrophobicContact CD1-CD1 4.08Å; Y150-L154 PolarHBondContact O-N 2.94Å; Y150-A196 VanDerWaalsContact CD1-CA 3.49Å; Y150-A196 HydrophobicContact CD1-CB 3.6Å; Y150-A196 HydrophobicContact CG-CB 3.94Å; Y150-V199 HydrophobicContact CD2-CB 3.92Å; Y150-V199 HydrophobicContact CD2-CG1 3.78Å; Y150-V199 HydrophobicContact CD2-CG2 4.32Å; Y150-V199 HydrophobicContact CE2-CB 3.86Å; Y150-V199 HydrophobicContact CE2-CG1 3.79Å; Y150-V199 HydrophobicContact CE2-CG2 3.75Å; Y150-Y209 AromaticContact CD2-CD1 3.77Å; Y150-Y209 HydrophobicContact CD2-CD1 3.77Å; Y150-Y209 AromaticContact CD2-CD2 3.6Å; Y150-Y209 HydrophobicContact CD2-CD2 3.6Å; Y150-Y209 AromaticContact CD2-CE1 3.61Å; Y150-Y209 HydrophobicContact CD2-CE1 3.61Å; Y150-Y209 AromaticContact CD2-CE2 3.48Å; Y150-Y209 HydrophobicContact CD2-CE2 3.48Å; Y150-Y209 VanDerWaalsContact CD2-CE2 3.48Å; Y150-Y209 AromaticContact CD2-CG 3.77Å; Y150-Y209 HydrophobicContact CD2-CG 3.77Å; Y150-Y209 AromaticContact CD2-CZ 3.5Å; Y150-Y209 VanDerWaalsContact CD2-CZ 3.5Å; Y150-Y209 HydrophobicContact CE2-CD1 4.49Å; Y150-Y209 AromaticContact CE2-CD2 3.56Å; Y150-Y209 HydrophobicContact CE2-CD2 3.56Å; Y150-Y209 AromaticContact CE2-CE2 3.66Å; Y150-Y209 HydrophobicContact CE2-CE2 3.66Å; Y150-Y209 HydrophobicContact CE2-CG 4.03Å; Y150-Y209 HydrophobicContact CG-CE1 4.17Å; Y150-Y209 HydrophobicContact CG-CE2 4.28Å; Y150-Y209 AromaticContact CG-CZ 3.98Å; Y150-Y209 PolarHBondContact N-OH 3.32Å; Y150-Y209 VanDerWaalsContact N-OH 3.08Å; Y150-Q214 PolarHBondContact OH-NE2 3.42Å
151Y93.1Very high88.9Confident11 Ų1169.3 Ų69.34%0.04334%0.338CS..Hα-helixtrans-64.5-45.6172.2-67-77.5000112.1D149 G155 L156 K158 F160 L200 R206 Y209 D210D149-Y151 PolarHBondContact O-N 3.17Å; Y151-G155 PolarHBondContact O-N 3.23Å; Y151-L156 PolarHBondContact O-N 3.14Å; Y151-K158 HydrophobicContact CD1-CG 4.15Å; Y151-K158 HydrophobicContact CD2-CG 4.32Å; Y151-K158 HydrophobicContact CE1-CB 4.23Å; Y151-K158 HydrophobicContact CE1-CG 4.03Å; Y151-K158 HydrophobicContact CE2-CD 4.47Å; Y151-K158 HydrophobicContact CE2-CG 4.19Å; Y151-K158 HydrophobicContact CG-CG 4.29Å; Y151-F160 HydrophobicContact CD1-CD1 4.19Å; Y151-F160 HydrophobicContact CD1-CE1 4.17Å; Y151-F160 AromaticContact CE1-CD1 3.9Å; Y151-F160 HydrophobicContact CE1-CD1 3.9Å; Y151-F160 AromaticContact CE1-CE1 3.62Å; Y151-F160 HydrophobicContact CE1-CE1 3.62Å; Y151-L200 HydrophobicContact CD1-CD1 4.32Å; Y151-L200 HydrophobicContact CE1-CD2 4.03Å; Y151-L200 HydrophobicContact CE2-CD2 4.19Å; Y151-R206 PolarHBondContact OH-NE 3.13Å; Y151-R206 PolarHBondContact OH-NH2 2.67Å; Y151-Y209 AromaticContact CD2-CE1 3.87Å; Y151-Y209 HydrophobicContact CD2-CE1 3.87Å; Y151-Y209 HydrophobicContact CE2-CD1 4.21Å; Y151-Y209 AromaticContact CE2-CE1 3.67Å; Y151-Y209 HydrophobicContact CE2-CE1 3.67Å; Y151-D210 WeakPolarHBondContact CE2-OD1 3.08Å; Y151-D210 PolarHBondContact OH-OD1 3.41Å; Y151-D210 PolarHBondContact OH-OD2 3.39Å
152E91Very high89.1Confident108 Ų10875.3 Ų75.351%0.50537%0.366SS..Hα-helixtrans-69.8-43.1178.3-64.4-166.2156.500111.8C147 D149 L154 G155C147-E152 HydrophobicContact CB-CB 4.09Å; C147-E152 PolarHBondContact SG-OE2 3.43Å; D149-E152 HydrophobicContact CB-CB 4.35Å; D149-E152 HydrophobicContact CB-CG 4.09Å; D149-E152 PolarHBondContact O-N 2.91Å; E152-L154 PolarHBondContact O-N 3.47Å; E152-G155 PolarHBondContact O-N 3.45Å
153I90.8Very high89.2Confident8 Ų875 Ų754%0.04138%0.377CS..Hα-helixtrans-54.4-36.5177.1-74163000111.8I144 C147 D149 Y150 A192 I193 A196I144-I153 HydrophobicContact CG2-CG2 4.17Å; C147-I153 HydrophobicContact CB-CG1 3.96Å; D149-I153 WeakPolarHBondContact O-CG1 3.29Å; D149-I153 PolarHBondContact O-N 3.22Å; Y150-I153 HydrophobicContact CD1-CD1 4.08Å; I153-A192 HydrophobicContact CD1-CB 4.45Å; I153-A192 HydrophobicContact CG2-CB 4.47Å; I153-I193 HydrophobicContact CG2-CG1 4.18Å; I153-A196 HydrophobicContact CB-CB 4.18Å; I153-A196 HydrophobicContact CG2-CB 3.67Å
154L91.2Very high89.4Confident2 Ų272.9 Ų72.91%0.0137%0.373CS..Hα-helixtrans-95.1-5.2177.5-61.6-174.5000114.5Y150 E152 L156 L165 Q168 L172 I193 A196 L200Y150-L154 PolarHBondContact O-N 2.94Å; E152-L154 PolarHBondContact O-N 3.47Å; L154-L156 HydrophobicContact CB-CD1 3.7Å; L154-L156 HydrophobicContact CB-CG 3.99Å; L154-L156 HydrophobicContact CD1-CD1 3.99Å; L154-L165 HydrophobicContact CD1-CD1 3.48Å; L154-L165 VanDerWaalsContact CD1-CD1 3.48Å; L154-Q168 WeakPolarHBondContact O-CB 3.49Å; L154-L172 HydrophobicContact CB-CD1 4.42Å; L154-L172 HydrophobicContact CD2-CD1 3.92Å; L154-I193 HydrophobicContact CD2-CB 4.46Å; L154-I193 HydrophobicContact CD2-CG2 3.89Å; L154-A196 HydrophobicContact CD1-CB 4.13Å; L154-A196 HydrophobicContact CD2-CB 4.17Å; L154-A196 HydrophobicContact CG-CB 3.86Å; L154-L200 HydrophobicContact CD1-CD1 4.09Å
155G90.6Very high89.7Confident56 Ų5672.4 Ų72.458%0.57737%0.371SS*.THydrogen-bonded Turntrans62.741.3-175.100000113.2Y151 E152Y151-G155 PolarHBondContact O-N 3.23Å; E152-G155 PolarHBondContact O-N 3.45Å
156L91.8Very high90Very high20 Ų2070.8 Ų70.811%0.10537%0.367CS..  trans-114.2142.8-177.5-68.8169.1000111.3Y151 L154 F160 E164 L165 Q168Y151-L156 PolarHBondContact O-N 3.14Å; L154-L156 HydrophobicContact CB-CD1 3.7Å; L154-L156 HydrophobicContact CB-CG 3.99Å; L154-L156 HydrophobicContact CD1-CD1 3.99Å; L156-F160 HydrophobicContact CB-CB 4.4Å; L156-F160 HydrophobicContact CB-CD1 4.19Å; L156-F160 HydrophobicContact CD1-CD1 4.15Å; L156-F160 HydrophobicContact CD1-CG 4.37Å; L156-F160 HydrophobicContact CD2-CB 4.09Å; L156-E164 HydrophobicContact CD2-CB 4.26Å; L156-L165 HydrophobicContact CD1-CB 4.21Å; L156-L165 HydrophobicContact CD1-CD1 3.49Å; L156-L165 VanDerWaalsContact CD1-CD1 3.49Å; L156-L165 HydrophobicContact CD1-CG 4.47Å; L156-Q168 HydrophobicContact CD2-CB 4.26Å; L156-Q168 HydrophobicContact CD2-CG 3.62Å; L156-Q168 HydrophobicContact CG-CB 4.49Å; L156-Q168 HydrophobicContact CG-CG 4.25Å
157S89.6Confident90.3Very high74 Ų7469.1 Ų69.152%0.51737%0.365SS..  trans-74.2161.3164.989.10000110.4N159 F160S157-N159 PolarHBondContact O-N 3.32Å; S157-N159 VanDerWaalsContact O-N 3.16Å; S157-N159 PolarHBondContact OG-N 2.88Å; S157-N159 VanDerWaalsContact OG-N 3.11Å; S157-F160 WeakPolarHBondContact O-CD1 3.48Å; S157-F160 PolarHBondContact O-N 3.21Å
158K87.7Confident90.8Very high130 Ų13070.6 Ų70.657%0.56537%0.369SS*.THydrogen-bonded Turntrans-60.3-23.4172.4-63.8-164.1175.4-162.10112.9Y151 F160 R206Y151-K158 HydrophobicContact CD1-CG 4.15Å; Y151-K158 HydrophobicContact CD2-CG 4.32Å; Y151-K158 HydrophobicContact CE1-CB 4.23Å; Y151-K158 HydrophobicContact CE1-CG 4.03Å; Y151-K158 HydrophobicContact CE2-CD 4.47Å; Y151-K158 HydrophobicContact CE2-CG 4.19Å; Y151-K158 HydrophobicContact CG-CG 4.29Å; K158-F160 PolarHBondContact O-N 2.85Å; K158-R206 PolarHBondContact O-NH2 2.96Å
159N89.1Confident91.3Very high150 Ų15066.1 Ų66.180%0.80235%0.349SS*.THydrogen-bonded Turntrans-96.148.3178.8-60.4-11.3000111.4S157S157-N159 PolarHBondContact O-N 3.32Å; S157-N159 VanDerWaalsContact O-N 3.16Å; S157-N159 PolarHBondContact OG-N 2.88Å; S157-N159 VanDerWaalsContact OG-N 3.11Å
160F90.6Very high91.4Very high24 Ų2471 Ų7111%0.10536%0.362CS..  trans-83151.717870.4-112000112.9Y151 L156 S157 K158 L165 L200Y151-F160 HydrophobicContact CD1-CD1 4.19Å; Y151-F160 HydrophobicContact CD1-CE1 4.17Å; Y151-F160 AromaticContact CE1-CD1 3.9Å; Y151-F160 HydrophobicContact CE1-CD1 3.9Å; Y151-F160 AromaticContact CE1-CE1 3.62Å; Y151-F160 HydrophobicContact CE1-CE1 3.62Å; L156-F160 HydrophobicContact CB-CB 4.4Å; L156-F160 HydrophobicContact CB-CD1 4.19Å; L156-F160 HydrophobicContact CD1-CD1 4.15Å; L156-F160 HydrophobicContact CD1-CG 4.37Å; L156-F160 HydrophobicContact CD2-CB 4.09Å; S157-F160 WeakPolarHBondContact O-CD1 3.48Å; S157-F160 PolarHBondContact O-N 3.21Å; K158-F160 PolarHBondContact O-N 2.85Å; F160-L165 HydrophobicContact CD2-CB 3.89Å; F160-L165 HydrophobicContact CE2-CB 3.82Å; F160-L165 HydrophobicContact CE2-CD2 3.79Å; F160-L165 HydrophobicContact CE2-CG 4.25Å; F160-L165 HydrophobicContact CZ-CB 4.5Å; F160-L165 HydrophobicContact CZ-CD1 4.42Å; F160-L165 HydrophobicContact CZ-CD2 4.02Å; F160-L200 HydrophobicContact CE1-CB 4.31Å; F160-L200 HydrophobicContact CE1-CD1 4.23Å; F160-L200 HydrophobicContact CE1-CD2 4.26Å; F160-L200 HydrophobicContact CZ-CB 4.04Å
161T92.2Very high91.3Very high76 Ų7674.6 Ų74.647%0.46638%0.378SS..  trans-89.6152.1163.2650000111.7A163 E164 L165T161-A163 PolarHBondContact O-N 2.69Å; T161-A163 VanDerWaalsContact O-N 3.14Å; T161-E164 WeakPolarHBondContact CB-OE2 3.16Å; T161-E164 PolarHBondContact N-OE2 3.47Å; T161-E164 WeakPolarHBondContact O-CB 3.37Å; T161-E164 PolarHBondContact O-N 2.98Å; T161-E164 VanDerWaalsContact OG1-CD 3.28Å; T161-E164 VanDerWaalsContact OG1-CG 3.31Å; T161-E164 WeakPolarHBondContact OG1-CG 3.47Å; T161-E164 PolarHBondContact OG1-N 3.36Å; T161-E164 PolarHBondContact OG1-OE2 3.07Å; T161-L165 PolarHBondContact O-N 3Å
162E90.4Very high91.2Very high127 Ų12775 Ų7559%0.59338%0.381SS*.Hα-helixtrans-53.4-35.6175.3-80.1-169.7-130.200113.4E164 L165 K166E162-E164 VanDerWaalsContact C-N 3.32Å; E162-E164 PolarHBondContact O-N 3.26Å; E162-L165 PolarHBondContact O-N 2.92Å; E162-K166 WeakPolarHBondContact O-CB 3.26Å; E162-K166 WeakPolarHBondContact O-CD 3.46Å; E162-K166 WeakPolarHBondContact O-CG 3.46Å; E162-K166 PolarHBondContact O-N 3.01Å; E162-K166 IonicContact OE2-NZ 3Å; E162-K166 PolarHBondContact OE2-NZ 2.76Å
163A90.3Very high91.2Very high73 Ų7370.6 Ų70.660%0.60336%0.363SS*.Hα-helixtrans-64.2-37.8177.900000111.5T161 K167T161-A163 PolarHBondContact O-N 2.69Å; T161-A163 VanDerWaalsContact O-N 3.14Å; A163-K167 WeakPolarHBondContact O-CB 3.26Å; A163-K167 PolarHBondContact O-N 3.5Å
164E93.2Very high91.1Very high89 Ų8975.2 Ų75.242%0.41639%0.387SS..Hα-helixtrans-71.9-41.9174.9-70.1163.3130.500112L156 T161 E162 K166 K167 Q168L156-E164 HydrophobicContact CD2-CB 4.26Å; T161-E164 WeakPolarHBondContact CB-OE2 3.16Å; T161-E164 PolarHBondContact N-OE2 3.47Å; T161-E164 WeakPolarHBondContact O-CB 3.37Å; T161-E164 PolarHBondContact O-N 2.98Å; T161-E164 VanDerWaalsContact OG1-CD 3.28Å; T161-E164 VanDerWaalsContact OG1-CG 3.31Å; T161-E164 WeakPolarHBondContact OG1-CG 3.47Å; T161-E164 PolarHBondContact OG1-N 3.36Å; T161-E164 PolarHBondContact OG1-OE2 3.07Å; E162-E164 VanDerWaalsContact C-N 3.32Å; E162-E164 PolarHBondContact O-N 3.26Å; E164-K166 PolarHBondContact O-N 3.09Å; E164-K167 PolarHBondContact O-N 3.29Å; E164-Q168 WeakPolarHBondContact O-CG 3.4Å; E164-Q168 PolarHBondContact O-N 3.16Å
165L93Very high90.9Very high2 Ų279.2 Ų79.21%0.0141%0.406CS..Hα-helixtrans-55.5-53.4173.4174.566.3000111.1L154 L156 F160 T161 E162 K167 Q168 Y169 Y197 L200L154-L165 HydrophobicContact CD1-CD1 3.48Å; L154-L165 VanDerWaalsContact CD1-CD1 3.48Å; L156-L165 HydrophobicContact CD1-CB 4.21Å; L156-L165 HydrophobicContact CD1-CD1 3.49Å; L156-L165 VanDerWaalsContact CD1-CD1 3.49Å; L156-L165 HydrophobicContact CD1-CG 4.47Å; F160-L165 HydrophobicContact CD2-CB 3.89Å; F160-L165 HydrophobicContact CE2-CB 3.82Å; F160-L165 HydrophobicContact CE2-CD2 3.79Å; F160-L165 HydrophobicContact CE2-CG 4.25Å; F160-L165 HydrophobicContact CZ-CB 4.5Å; F160-L165 HydrophobicContact CZ-CD1 4.42Å; F160-L165 HydrophobicContact CZ-CD2 4.02Å; T161-L165 PolarHBondContact O-N 3Å; E162-L165 PolarHBondContact O-N 2.92Å; L165-K167 VanDerWaalsContact C-N 3.26Å; L165-K167 PolarHBondContact O-N 2.96Å; L165-Q168 PolarHBondContact O-N 2.95Å; L165-Y169 VanDerWaalsContact O-CB 3.29Å; L165-Y169 WeakPolarHBondContact O-CB 3.29Å; L165-Y169 PolarHBondContact O-N 3.05Å; L165-Y197 HydrophobicContact CD1-CD2 3.99Å; L165-Y197 HydrophobicContact CD2-CD2 4.36Å; L165-Y197 HydrophobicContact CD2-CE2 4.28Å; L165-Y197 HydrophobicContact CG-CD2 3.91Å; L165-Y197 HydrophobicContact CG-CE2 3.97Å; L165-L200 HydrophobicContact CD1-CB 4.01Å; L165-L200 HydrophobicContact CD2-CB 4.28Å; L165-L200 WeakPolarHBondContact CD2-O 3.32Å
166K92.2Very high90.7Very high88 Ų8876.9 Ų76.938%0.38338%0.38SS..Hα-helixtrans-63.7-29.7178.8-71.3162.6179.4167.70112.2E162 E164 R170 Y197E162-K166 WeakPolarHBondContact O-CB 3.26Å; E162-K166 WeakPolarHBondContact O-CD 3.46Å; E162-K166 WeakPolarHBondContact O-CG 3.46Å; E162-K166 PolarHBondContact O-N 3.01Å; E162-K166 IonicContact OE2-NZ 3Å; E162-K166 PolarHBondContact OE2-NZ 2.76Å; E164-K166 PolarHBondContact O-N 3.09Å; K166-R170 VanDerWaalsContact O-CB 3.27Å; K166-R170 WeakPolarHBondContact O-CB 3.33Å; K166-R170 PolarHBondContact O-N 3.26Å; K166-Y197 HydrophobicContact CG-CE2 4.1Å
167K92.2Very high90.4Very high150 Ų15079.5 Ų79.565%0.65239%0.392SS*.Hα-helixtrans-76.3-47.3177178.9-177178.1-172.80112.9A163 E164 L165 R170 K171A163-K167 WeakPolarHBondContact O-CB 3.26Å; A163-K167 PolarHBondContact O-N 3.5Å; E164-K167 PolarHBondContact O-N 3.29Å; L165-K167 VanDerWaalsContact C-N 3.26Å; L165-K167 PolarHBondContact O-N 2.96Å; K167-R170 PolarHBondContact O-N 3Å; K167-K171 WeakPolarHBondContact O-CB 3.24Å; K167-K171 PolarHBondContact O-N 3.49Å
168Q93Very high90.2Very high55 Ų5579.3 Ų79.326%0.25739%0.388SS..Hα-helixtrans-69.1-42.7177.9-63-64.823.300111.1L154 L156 E164 L165 R170 K171 L172L154-Q168 WeakPolarHBondContact O-CB 3.49Å; L156-Q168 HydrophobicContact CD2-CB 4.26Å; L156-Q168 HydrophobicContact CD2-CG 3.62Å; L156-Q168 HydrophobicContact CG-CB 4.49Å; L156-Q168 HydrophobicContact CG-CG 4.25Å; E164-Q168 WeakPolarHBondContact O-CG 3.4Å; E164-Q168 PolarHBondContact O-N 3.16Å; L165-Q168 PolarHBondContact O-N 2.95Å; Q168-R170 PolarHBondContact O-N 3.02Å; Q168-K171 WeakPolarHBondContact O-CB 3.37Å; Q168-K171 PolarHBondContact O-N 3.12Å; Q168-K171 VanDerWaalsContact O-N 3.17Å; Q168-L172 WeakPolarHBondContact O-CB 3.48Å; Q168-L172 WeakPolarHBondContact O-CG 3.4Å; Q168-L172 PolarHBondContact O-N 3.21Å
169Y92.7Very high90Very high32 Ų3278.1 Ų78.113%0.12539%0.388CS..Hα-helixtrans-55.5-49.3172.6173-107000111.5L165 K171 L172 A173 I193 Y197 F233L165-Y169 VanDerWaalsContact O-CB 3.29Å; L165-Y169 WeakPolarHBondContact O-CB 3.29Å; L165-Y169 PolarHBondContact O-N 3.05Å; Y169-K171 VanDerWaalsContact C-N 3.32Å; Y169-K171 PolarHBondContact O-N 3.28Å; Y169-L172 PolarHBondContact O-N 3.48Å; Y169-A173 HydrophobicContact CE2-CB 4.32Å; Y169-A173 WeakPolarHBondContact O-CB 3.46Å; Y169-A173 PolarHBondContact O-N 2.86Å; Y169-I193 HydrophobicContact CD2-CG2 3.71Å; Y169-I193 HydrophobicContact CE2-CG2 3.91Å; Y169-Y197 VanDerWaalsContact CB-CD2 3.46Å; Y169-Y197 HydrophobicContact CD1-CD1 4.12Å; Y169-Y197 AromaticContact CD1-CD2 3.89Å; Y169-Y197 HydrophobicContact CD1-CD2 3.89Å; Y169-Y197 HydrophobicContact CD1-CE1 4.25Å; Y169-Y197 HydrophobicContact CD1-CE2 4.01Å; Y169-Y197 AromaticContact CD1-CG 3.94Å; Y169-Y197 HydrophobicContact CD1-CG 3.94Å; Y169-Y197 HydrophobicContact CD2-CD1 4.24Å; Y169-Y197 AromaticContact CD2-CD2 3.98Å; Y169-Y197 HydrophobicContact CD2-CD2 3.98Å; Y169-Y197 AromaticContact CD2-CG 3.6Å; Y169-Y197 HydrophobicContact CD2-CG 3.6Å; Y169-Y197 HydrophobicContact CE1-CD1 4.13Å; Y169-Y197 HydrophobicContact CE1-CE1 4.3Å; Y169-Y197 HydrophobicContact CE1-CG 4.34Å; Y169-Y197 HydrophobicContact CE2-CD1 4.24Å; Y169-Y197 HydrophobicContact CE2-CG 4.02Å; Y169-Y197 HydrophobicContact CG-CD1 4.17Å; Y169-Y197 AromaticContact CG-CD2 3.48Å; Y169-Y197 HydrophobicContact CG-CD2 3.48Å; Y169-Y197 VanDerWaalsContact CG-CD2 3.48Å; Y169-Y197 HydrophobicContact CG-CE2 4.04Å; Y169-Y197 AromaticContact CG-CG 3.55Å; Y169-Y197 HydrophobicContact CG-CG 3.55Å; Y169-F233 HydrophobicContact CE1-CE2 4.18Å; Y169-F233 HydrophobicContact CE1-CZ 4.48Å
170R91.6Very high89.6Confident178 Ų17877.5 Ų77.567%0.67238%0.378SS*.Hα-helixtrans-61.1-38.4177.6-171.8-179.5-60.6-162.3-0.6112.8K166 K167 Q168 L174K166-R170 VanDerWaalsContact O-CB 3.27Å; K166-R170 WeakPolarHBondContact O-CB 3.33Å; K166-R170 PolarHBondContact O-N 3.26Å; K167-R170 PolarHBondContact O-N 3Å; Q168-R170 PolarHBondContact O-N 3.02Å; R170-L174 HydrophobicContact CG-CD1 4.33Å; R170-L174 WeakPolarHBondContact O-CB 3.15Å; R170-L174 WeakPolarHBondContact O-CD1 3.22Å; R170-L174 VanDerWaalsContact O-CG 3.29Å; R170-L174 WeakPolarHBondContact O-CG 3.19Å; R170-L174 PolarHBondContact O-N 2.95Å
171K91.6Very high89Confident113 Ų11377 Ų7749%0.49138%0.377SS..Hα-helixtrans-63.2-53175.8-179.8-168.2169.4-164.70110.9K167 Q168 Y169 L174 Q175K167-K171 WeakPolarHBondContact O-CB 3.24Å; K167-K171 PolarHBondContact O-N 3.49Å; Q168-K171 WeakPolarHBondContact O-CB 3.37Å; Q168-K171 PolarHBondContact O-N 3.12Å; Q168-K171 VanDerWaalsContact O-N 3.17Å; Y169-K171 VanDerWaalsContact C-N 3.32Å; Y169-K171 PolarHBondContact O-N 3.28Å; K171-L174 PolarHBondContact O-N 3.21Å; K171-Q175 WeakPolarHBondContact O-CG 3.4Å; K171-Q175 PolarHBondContact O-N 3.44Å; K171-Q175 VanDerWaalsContact O-N 3.14Å
172L90.8Very high88.4Confident21 Ų2180.4 Ų80.411%0.1138%0.381CS..Hα-helixtrans-67.1-44.2-177.7-67.1168000111.7I144 L154 Q168 Y169 L174 Q175 F176 I193I144-L172 HydrophobicContact CD1-CD2 4.38Å; L154-L172 HydrophobicContact CB-CD1 4.42Å; L154-L172 HydrophobicContact CD2-CD1 3.92Å; Q168-L172 WeakPolarHBondContact O-CB 3.48Å; Q168-L172 WeakPolarHBondContact O-CG 3.4Å; Q168-L172 PolarHBondContact O-N 3.21Å; Y169-L172 PolarHBondContact O-N 3.48Å; L172-L174 PolarHBondContact O-N 3.44Å; L172-Q175 PolarHBondContact O-N 3.43Å; L172-F176 HydrophobicContact CB-CD2 4.41Å; L172-F176 HydrophobicContact CD2-CD2 4.38Å; L172-F176 HydrophobicContact CD2-CE2 3.86Å; L172-F176 VanDerWaalsContact O-CD2 3.29Å; L172-F176 WeakPolarHBondContact O-CD2 3.43Å; L172-F176 PolarHBondContact O-N 3.26Å; L172-I193 HydrophobicContact CB-CD1 3.97Å; L172-I193 HydrophobicContact CB-CG1 4.31Å; L172-I193 HydrophobicContact CB-CG2 4.01Å
173A90.7Very high88Confident15 Ų1574.6 Ų74.612%0.12435%0.354CS..Hα-helixtrans-57-35.4175.700000112.3Y169 H177 F190Y169-A173 HydrophobicContact CE2-CB 4.32Å; Y169-A173 WeakPolarHBondContact O-CB 3.46Å; Y169-A173 PolarHBondContact O-N 2.86Å; A173-H177 WeakPolarHBondContact O-CB 3.36Å; A173-H177 PolarHBondContact O-N 3Å; A173-H177 VanDerWaalsContact O-N 3.12Å; A173-F190 HydrophobicContact CB-CE2 4.06Å
174L88.7Confident87.7Confident104 Ų10475.2 Ų75.255%0.54535%0.352SS..Hα-helixtrans-75.1-29173.7-72.7170.4000113.8R170 K171 L172R170-L174 HydrophobicContact CG-CD1 4.33Å; R170-L174 WeakPolarHBondContact O-CB 3.15Å; R170-L174 WeakPolarHBondContact O-CD1 3.22Å; R170-L174 VanDerWaalsContact O-CG 3.29Å; R170-L174 WeakPolarHBondContact O-CG 3.19Å; R170-L174 PolarHBondContact O-N 2.95Å; K171-L174 PolarHBondContact O-N 3.21Å; L172-L174 PolarHBondContact O-N 3.44Å
175Q86.1Confident87.3Confident87 Ų8771.8 Ų71.841%0.40734%0.341SS..Hα-helixtrans-79.6-30.2177.4-70.7-178.6-73.600113.3K171 L172 N181K171-Q175 WeakPolarHBondContact O-CG 3.4Å; K171-Q175 PolarHBondContact O-N 3.44Å; K171-Q175 VanDerWaalsContact O-N 3.14Å; L172-Q175 PolarHBondContact O-N 3.43Å; Q175-N181 VanDerWaalsContact O-CB 3.22Å; Q175-N181 WeakPolarHBondContact O-CB 3.48Å; Q175-N181 PolarHBondContact O-ND2 3.44Å
176F86.9Confident87Confident6 Ų671.8 Ų71.83%0.02634%0.341CS..SBendtrans-109.57.7-177.5-63.7-77.8000113.8A140 V141 I144 L172 A189 F190 I193A140-F176 HydrophobicContact CB-CE1 4.24Å; A140-F176 HydrophobicContact CB-CZ 3.75Å; V141-F176 HydrophobicContact CB-CE1 4.37Å; V141-F176 HydrophobicContact CG2-CD1 3.77Å; V141-F176 HydrophobicContact CG2-CE1 3.55Å; I144-F176 HydrophobicContact CD1-CD2 4.13Å; I144-F176 HydrophobicContact CD1-CE1 4.41Å; I144-F176 HydrophobicContact CD1-CE2 3.46Å; I144-F176 VanDerWaalsContact CD1-CE2 3.46Å; I144-F176 HydrophobicContact CD1-CZ 3.62Å; L172-F176 HydrophobicContact CB-CD2 4.41Å; L172-F176 HydrophobicContact CD2-CD2 4.38Å; L172-F176 HydrophobicContact CD2-CE2 3.86Å; L172-F176 VanDerWaalsContact O-CD2 3.29Å; L172-F176 WeakPolarHBondContact O-CD2 3.43Å; L172-F176 PolarHBondContact O-N 3.26Å; F176-A189 HydrophobicContact CD1-CB 4.05Å; F176-A189 HydrophobicContact CE1-CB 4.42Å; F176-F190 HydrophobicContact CB-CB 4.27Å; F176-F190 HydrophobicContact CB-CD2 4.27Å; F176-I193 HydrophobicContact CB-CD1 3.92Å; F176-I193 HydrophobicContact CD2-CD1 3.32Å; F176-I193 HydrophobicContact CE2-CD1 4.04Å; F176-I193 HydrophobicContact CG-CD1 3.76Å
177H85.2Confident86.7Confident76 Ų7670.6 Ų70.635%0.35234%0.344SS..  trans-59127.3176.7-165.8-102000110.8A173 D179 K180 N181A173-H177 WeakPolarHBondContact O-CB 3.36Å; A173-H177 PolarHBondContact O-N 3Å; A173-H177 VanDerWaalsContact O-N 3.12Å; H177-D179 PolarHBondContact O-N 2.94Å; H177-D179 VanDerWaalsContact O-N 3.1Å; H177-K180 HydrophobicContact CB-CB 4.36Å; H177-K180 HydrophobicContact CB-CD 4.47Å; H177-K180 HydrophobicContact CB-CG 4.31Å; H177-K180 PolarHBondContact O-N 3.15Å; H177-N181 PolarHBondContact O-N 3.03Å
178P85.1Confident86.5Confident69 Ų6968.4 Ų68.445%0.44834%0.336SS..THydrogen-bonded Turntrans-64.8-21.2-169.223.8-34.9000115
179D83.8Confident86.2Confident105 Ų10565.8 Ų65.856%0.56132%0.323SS*.THydrogen-bonded Turntrans-72.4-36.2171.117363.5000112.6H177H177-D179 PolarHBondContact O-N 2.94Å; H177-D179 VanDerWaalsContact O-N 3.1Å
180K81.4Confident86.1Confident137 Ų13767 Ų6760%0.59633%0.33SS*.THydrogen-bonded Turntrans-88.5-40.5-175.7-62.5-170.6-179.5-53.70112.5H177H177-K180 HydrophobicContact CB-CB 4.36Å; H177-K180 HydrophobicContact CB-CD 4.47Å; H177-K180 HydrophobicContact CB-CG 4.31Å; H177-K180 PolarHBondContact O-N 3.15Å
181N78.2Confident86Confident13 Ų1363.9 Ų63.97%0.0732%0.321CS..  trans-116.9108.7-176.6-172.1-19000109.4Q175 H177 V183 A186Q175-N181 VanDerWaalsContact O-CB 3.22Å; Q175-N181 WeakPolarHBondContact O-CB 3.48Å; Q175-N181 PolarHBondContact O-ND2 3.44Å; H177-N181 PolarHBondContact O-N 3.03Å; N181-V183 WeakPolarHBondContact OD1-CB 3.43Å; N181-V183 WeakPolarHBondContact OD1-CG2 3.49Å; N181-V183 PolarHBondContact OD1-N 2.8Å; N181-V183 VanDerWaalsContact OD1-N 3.07Å; N181-A186 HydrophobicContact CB-CB 4.46Å
182R79.2Confident85.9Confident148 Ų14859.7 Ų59.756%0.55831%0.307SS*.  trans-94.75.8-176.4-63.6179.6-177.6-172.4-1.4113.1V131 Y133V131-R182 HydrophobicContact CG1-CB 4.4Å; Y133-R182 HydrophobicContact CE1-CB 3.94Å; Y133-R182 WeakPolarHBondContact CE1-O 3.35Å; Y133-R182 PolarHBondContact OH-O 3.42Å
183V82.1Confident85.9Confident5 Ų558.7 Ų58.73%0.0330%0.302CS..  trans-55136.9-178.61660000111Y133 D137 L138 V141 N181 G185 A186Y133-V183 HydrophobicContact CD1-CB 4.28Å; Y133-V183 HydrophobicContact CD1-CG2 3.47Å; Y133-V183 VanDerWaalsContact CD1-CG2 3.47Å; Y133-V183 HydrophobicContact CE1-CG2 4.22Å; Y133-V183 HydrophobicContact CG-CG2 3.72Å; D137-V183 HydrophobicContact CB-CG2 4.06Å; L138-V183 HydrophobicContact CD2-CG1 3.66Å; L138-V183 HydrophobicContact CG-CG1 4.02Å; L138-V183 HydrophobicContact CG-CG2 4.32Å; V141-V183 HydrophobicContact CB-CG1 3.96Å; V141-V183 HydrophobicContact CG1-CG1 4.2Å; V141-V183 HydrophobicContact CG2-CB 4.09Å; V141-V183 HydrophobicContact CG2-CG1 3.63Å; N181-V183 WeakPolarHBondContact OD1-CB 3.43Å; N181-V183 WeakPolarHBondContact OD1-CG2 3.49Å; N181-V183 PolarHBondContact OD1-N 2.8Å; N181-V183 VanDerWaalsContact OD1-N 3.07Å; V183-G185 PolarHBondContact O-N 3.31Å; V183-G185 VanDerWaalsContact O-N 3.09Å; V183-A186 HydrophobicContact CB-CB 4.32Å; V183-A186 VanDerWaalsContact O-CB 3.24Å; V183-A186 WeakPolarHBondContact O-CB 3.39Å; V183-A186 PolarHBondContact O-N 2.85Å
184P84.1Confident85.9Confident87 Ų8759 Ų5957%0.56531%0.307SS*.THydrogen-bonded Turntrans-56.8117173.623-34.4000111.2L138L138-P184 HydrophobicContact CD2-CG 4.32Å
185G84.7Confident86Confident17 Ų1756.9 Ų56.918%0.17530%0.296CS..THydrogen-bonded Turntrans96.8-4.4-175.500000115.3V141 V183 S187 E188 A189V141-G185 VanDerWaalsContact CG1-C 3.46Å; V183-G185 PolarHBondContact O-N 3.31Å; V183-G185 VanDerWaalsContact O-N 3.09Å; G185-S187 VanDerWaalsContact C-N 3.25Å; G185-S187 PolarHBondContact O-N 2.88Å; G185-E188 WeakPolarHBondContact O-CB 3.32Å; G185-E188 PolarHBondContact O-N 3.34Å; G185-A189 PolarHBondContact O-N 3.01Å
186A85.7Confident86.2Confident2 Ų252.8 Ų52.82%0.01728%0.277CS..Hα-helixtrans-57.2-37.4177.500000112.8V141 N181 V183 E188 A189 F190V141-A186 HydrophobicContact CG2-CB 4.07Å; N181-A186 HydrophobicContact CB-CB 4.46Å; V183-A186 HydrophobicContact CB-CB 4.32Å; V183-A186 VanDerWaalsContact O-CB 3.24Å; V183-A186 WeakPolarHBondContact O-CB 3.39Å; V183-A186 PolarHBondContact O-N 2.85Å; A186-E188 VanDerWaalsContact C-N 3.33Å; A186-E188 PolarHBondContact O-N 3.42Å; A186-A189 PolarHBondContact O-N 2.77Å; A186-F190 WeakPolarHBondContact O-CB 3.45Å; A186-F190 PolarHBondContact O-N 3.02Å
187S86.2Confident86.5Confident62 Ų6254.7 Ų54.743%0.43428%0.284SS..Hα-helixtrans-63.8-33.7174-176.90000113.2G185 K191G185-S187 VanDerWaalsContact C-N 3.25Å; G185-S187 PolarHBondContact O-N 2.88Å; S187-K191 VanDerWaalsContact O-CG 3.31Å; S187-K191 WeakPolarHBondContact O-CG 3.44Å; S187-K191 PolarHBondContact O-N 2.63Å; S187-K191 VanDerWaalsContact O-N 3.08Å
188E87.7Confident86.8Confident104 Ų10453.4 Ų53.449%0.48629%0.286SS..Hα-helixtrans-73.8-42.7175-66.8174.2-141.900111.3R145 G185 A186 F190 K191 A192R145-E188 HydrophobicContact CG-CB 4.33Å; R145-E188 IonicContact CZ-OE2 2.71Å; R145-E188 IonicContact NE-OE2 3.53Å; R145-E188 PolarHBondContact NE-OE2 2.88Å; R145-E188 IonicContact NH2-OE1 3.63Å; R145-E188 PolarHBondContact NH2-OE1 3.3Å; R145-E188 IonicContact NH2-OE2 2.66Å; R145-E188 PolarHBondContact NH2-OE2 3.15Å; G185-E188 WeakPolarHBondContact O-CB 3.32Å; G185-E188 PolarHBondContact O-N 3.34Å; A186-E188 VanDerWaalsContact C-N 3.33Å; A186-E188 PolarHBondContact O-N 3.42Å; E188-F190 VanDerWaalsContact C-N 3.32Å; E188-F190 PolarHBondContact O-N 3.16Å; E188-K191 PolarHBondContact O-N 3.44Å; E188-A192 PolarHBondContact O-N 2.86Å
189A88.1Confident87Confident0 Ų051.4 Ų51.40%027%0.273CS..Hα-helixtrans-59.9-42.6173.200000111.4V141 I144 R145 F176 G185 A186 K191 A192 I193V141-A189 HydrophobicContact CG1-CB 4.38Å; I144-A189 HydrophobicContact CB-CB 4.13Å; I144-A189 HydrophobicContact CG2-CB 3.86Å; R145-A189 HydrophobicContact CG-CB 4.44Å; F176-A189 HydrophobicContact CD1-CB 4.05Å; F176-A189 HydrophobicContact CE1-CB 4.42Å; G185-A189 PolarHBondContact O-N 3.01Å; A186-A189 PolarHBondContact O-N 2.77Å; A189-K191 PolarHBondContact O-N 3.31Å; A189-A192 WeakPolarHBondContact O-CB 3.21Å; A189-A192 PolarHBondContact O-N 3.01Å; A189-I193 WeakPolarHBondContact O-CD1 3.27Å; A189-I193 VanDerWaalsContact O-CG1 3.26Å; A189-I193 WeakPolarHBondContact O-CG1 3.39Å; A189-I193 PolarHBondContact O-N 3.28Å
190F90.3Very high87.4Confident58 Ų5846.6 Ų46.625%0.25425%0.247SC..Hα-helixtrans-61.4-40.6175.1-172.8-93000112.6A173 F176 A186 E188 I193 G194A173-F190 HydrophobicContact CB-CE2 4.06Å; F176-F190 HydrophobicContact CB-CB 4.27Å; F176-F190 HydrophobicContact CB-CD2 4.27Å; A186-F190 WeakPolarHBondContact O-CB 3.45Å; A186-F190 PolarHBondContact O-N 3.02Å; E188-F190 VanDerWaalsContact C-N 3.32Å; E188-F190 PolarHBondContact O-N 3.16Å; F190-I193 PolarHBondContact O-N 3.25Å; F190-G194 PolarHBondContact O-N 3.05Å
191K89.9Confident87.8Confident112 Ų11242.9 Ų42.949%0.48724%0.238SC..Hα-helixtrans-63.7-42.7172.7-74.1172.1-178.6-174.80112.1S187 E188 A189 G194 N195S187-K191 VanDerWaalsContact O-CG 3.31Å; S187-K191 WeakPolarHBondContact O-CG 3.44Å; S187-K191 PolarHBondContact O-N 2.63Å; S187-K191 VanDerWaalsContact O-N 3.08Å; E188-K191 PolarHBondContact O-N 3.44Å; A189-K191 PolarHBondContact O-N 3.31Å; K191-G194 PolarHBondContact O-N 3.43Å; K191-N195 WeakPolarHBondContact O-CB 3.5Å; K191-N195 VanDerWaalsContact O-CG 3.32Å; K191-N195 PolarHBondContact O-N 3.2Å; K191-N195 PolarHBondContact O-OD1 2.9Å
192A89.4Confident88.4Confident25 Ų2544.9 Ų44.921%0.20725%0.249CC..Hα-helixtrans-61.2-44.4175.400000111.9I144 I153 E188 A189 G194 N195 A196I144-A192 HydrophobicContact CG2-CB 4.01Å; I153-A192 HydrophobicContact CD1-CB 4.45Å; I153-A192 HydrophobicContact CG2-CB 4.47Å; E188-A192 PolarHBondContact O-N 2.86Å; A189-A192 WeakPolarHBondContact O-CB 3.21Å; A189-A192 PolarHBondContact O-N 3.01Å; A192-G194 PolarHBondContact O-N 2.81Å; A192-N195 PolarHBondContact O-N 2.92Å; A192-A196 VanDerWaalsContact O-CB 3.26Å; A192-A196 WeakPolarHBondContact O-CB 3.29Å; A192-A196 PolarHBondContact O-N 3.26Å
193I90.3Very high88.8Confident0 Ų042.5 Ų42.50%026%0.255CS..Hα-helixtrans-60.1-43.2174-68155.8000111.4I144 I153 L154 Y169 L172 F176 A189 F190 Y197I144-I193 HydrophobicContact CD1-CD1 3.8Å; I144-I193 HydrophobicContact CD1-CG1 4.07Å; I144-I193 HydrophobicContact CG2-CG1 4.22Å; I153-I193 HydrophobicContact CG2-CG1 4.18Å; L154-I193 HydrophobicContact CD2-CB 4.46Å; L154-I193 HydrophobicContact CD2-CG2 3.89Å; Y169-I193 HydrophobicContact CD2-CG2 3.71Å; Y169-I193 HydrophobicContact CE2-CG2 3.91Å; L172-I193 HydrophobicContact CB-CD1 3.97Å; L172-I193 HydrophobicContact CB-CG1 4.31Å; L172-I193 HydrophobicContact CB-CG2 4.01Å; F176-I193 HydrophobicContact CB-CD1 3.92Å; F176-I193 HydrophobicContact CD2-CD1 3.32Å; F176-I193 HydrophobicContact CE2-CD1 4.04Å; F176-I193 HydrophobicContact CG-CD1 3.76Å; A189-I193 WeakPolarHBondContact O-CD1 3.27Å; A189-I193 VanDerWaalsContact O-CG1 3.26Å; A189-I193 WeakPolarHBondContact O-CG1 3.39Å; A189-I193 PolarHBondContact O-N 3.28Å; F190-I193 PolarHBondContact O-N 3.25Å; I193-Y197 WeakPolarHBondContact O-CB 3.5Å; I193-Y197 PolarHBondContact O-N 3.26Å
194G90.7Very high89.1Confident22 Ų2244.6 Ų44.623%0.22727%0.273CS..Hα-helixtrans-62-49.2176.700000112.7F190 K191 A192 Y197 A198F190-G194 PolarHBondContact O-N 3.05Å; K191-G194 PolarHBondContact O-N 3.43Å; A192-G194 PolarHBondContact O-N 2.81Å; G194-Y197 PolarHBondContact O-N 2.92Å; G194-A198 WeakPolarHBondContact O-CB 3.5Å; G194-A198 PolarHBondContact O-N 3.12Å
195N90.2Very high89.4Confident60 Ų6044.8 Ų44.832%0.32127%0.265SS..Hα-helixtrans-63.6-43.6178.2-69.22.4000111.5K191 A192 Y197 A198 V199 Y229K191-N195 WeakPolarHBondContact O-CB 3.5Å; K191-N195 VanDerWaalsContact O-CG 3.32Å; K191-N195 PolarHBondContact O-N 3.2Å; K191-N195 PolarHBondContact O-OD1 2.9Å; A192-N195 PolarHBondContact O-N 2.92Å; N195-Y197 VanDerWaalsContact C-N 3.34Å; N195-Y197 PolarHBondContact O-N 3.4Å; N195-A198 PolarHBondContact O-N 3.44Å; N195-V199 WeakPolarHBondContact O-CG2 3.46Å; N195-V199 PolarHBondContact O-N 2.87Å; N195-Y229 WeakPolarHBondContact OD1-CE1 3.5Å
196A91.2Very high89.7Confident0 Ų046.6 Ų46.60%027%0.266CS..Hα-helixtrans-59.1-43.9176.400000112.1Y150 I153 L154 A192 L200Y150-A196 VanDerWaalsContact CD1-CA 3.49Å; Y150-A196 HydrophobicContact CD1-CB 3.6Å; Y150-A196 HydrophobicContact CG-CB 3.94Å; I153-A196 HydrophobicContact CB-CB 4.18Å; I153-A196 HydrophobicContact CG2-CB 3.67Å; L154-A196 HydrophobicContact CD1-CB 4.13Å; L154-A196 HydrophobicContact CD2-CB 4.17Å; L154-A196 HydrophobicContact CG-CB 3.86Å; A192-A196 VanDerWaalsContact O-CB 3.26Å; A192-A196 WeakPolarHBondContact O-CB 3.29Å; A192-A196 PolarHBondContact O-N 3.26Å; A196-L200 VanDerWaalsContact O-CB 3.3Å; A196-L200 WeakPolarHBondContact O-CB 3.31Å; A196-L200 VanDerWaalsContact O-CG 3.31Å; A196-L200 WeakPolarHBondContact O-CG 3.33Å; A196-L200 PolarHBondContact O-N 3.37Å
197Y92.8Very high89.8Confident47 Ų4752.4 Ų52.418%0.18429%0.293CS..Hα-helixtrans-65.9-46.8175.2178-99.9000111.8L165 K166 Y169 I193 G194 N195 V199 L200 S201L165-Y197 HydrophobicContact CD1-CD2 3.99Å; L165-Y197 HydrophobicContact CD2-CD2 4.36Å; L165-Y197 HydrophobicContact CD2-CE2 4.28Å; L165-Y197 HydrophobicContact CG-CD2 3.91Å; L165-Y197 HydrophobicContact CG-CE2 3.97Å; K166-Y197 HydrophobicContact CG-CE2 4.1Å; Y169-Y197 VanDerWaalsContact CB-CD2 3.46Å; Y169-Y197 HydrophobicContact CD1-CD1 4.12Å; Y169-Y197 AromaticContact CD1-CD2 3.89Å; Y169-Y197 HydrophobicContact CD1-CD2 3.89Å; Y169-Y197 HydrophobicContact CD1-CE1 4.25Å; Y169-Y197 HydrophobicContact CD1-CE2 4.01Å; Y169-Y197 AromaticContact CD1-CG 3.94Å; Y169-Y197 HydrophobicContact CD1-CG 3.94Å; Y169-Y197 HydrophobicContact CD2-CD1 4.24Å; Y169-Y197 AromaticContact CD2-CD2 3.98Å; Y169-Y197 HydrophobicContact CD2-CD2 3.98Å; Y169-Y197 AromaticContact CD2-CG 3.6Å; Y169-Y197 HydrophobicContact CD2-CG 3.6Å; Y169-Y197 HydrophobicContact CE1-CD1 4.13Å; Y169-Y197 HydrophobicContact CE1-CE1 4.3Å; Y169-Y197 HydrophobicContact CE1-CG 4.34Å; Y169-Y197 HydrophobicContact CE2-CD1 4.24Å; Y169-Y197 HydrophobicContact CE2-CG 4.02Å; Y169-Y197 HydrophobicContact CG-CD1 4.17Å; Y169-Y197 AromaticContact CG-CD2 3.48Å; Y169-Y197 HydrophobicContact CG-CD2 3.48Å; Y169-Y197 VanDerWaalsContact CG-CD2 3.48Å; Y169-Y197 HydrophobicContact CG-CE2 4.04Å; Y169-Y197 AromaticContact CG-CG 3.55Å; Y169-Y197 HydrophobicContact CG-CG 3.55Å; I193-Y197 WeakPolarHBondContact O-CB 3.5Å; I193-Y197 PolarHBondContact O-N 3.26Å; G194-Y197 PolarHBondContact O-N 2.92Å; N195-Y197 VanDerWaalsContact C-N 3.34Å; N195-Y197 PolarHBondContact O-N 3.4Å; Y197-V199 PolarHBondContact O-N 3.08Å; Y197-L200 PolarHBondContact O-N 2.71Å; Y197-S201 WeakPolarHBondContact O-CB 3.49Å; Y197-S201 PolarHBondContact O-N 3.3Å; Y197-S201 PolarHBondContact O-OG 3.3Å
198A91Very high89.9Confident48 Ų4856.5 Ų56.540%0.39730%0.299SS..Hα-helixtrans-63.5-26.5-177.600000114.2G194 N195G194-A198 WeakPolarHBondContact O-CB 3.5Å; G194-A198 PolarHBondContact O-N 3.12Å; N195-A198 PolarHBondContact O-N 3.44Å
199V90.9Very high89.9Confident27 Ų2752.5 Ų52.516%0.16428%0.28CS..Hα-helixtrans-82.1-47171173.80000111.4Y150 N195 Y197 S201 K205 R206 Y209Y150-V199 HydrophobicContact CD2-CB 3.92Å; Y150-V199 HydrophobicContact CD2-CG1 3.78Å; Y150-V199 HydrophobicContact CD2-CG2 4.32Å; Y150-V199 HydrophobicContact CE2-CB 3.86Å; Y150-V199 HydrophobicContact CE2-CG1 3.79Å; Y150-V199 HydrophobicContact CE2-CG2 3.75Å; N195-V199 WeakPolarHBondContact O-CG2 3.46Å; N195-V199 PolarHBondContact O-N 2.87Å; Y197-V199 PolarHBondContact O-N 3.08Å; V199-S201 PolarHBondContact O-N 2.89Å; V199-K205 HydrophobicContact CG1-CB 4.26Å; V199-R206 PolarHBondContact O-N 3.1Å; V199-Y209 HydrophobicContact CG1-CD1 4.36Å; V199-Y209 HydrophobicContact CG1-CG 4Å
200L91.6Very high90Very high5 Ų555.9 Ų55.93%0.02630%0.298CS..Hα-helixtrans-77.2-17.4-174.9-67.5178.7000114.5Y151 L154 F160 L165 A196 Y197 R206 Y209Y151-L200 HydrophobicContact CD1-CD1 4.32Å; Y151-L200 HydrophobicContact CE1-CD2 4.03Å; Y151-L200 HydrophobicContact CE2-CD2 4.19Å; L154-L200 HydrophobicContact CD1-CD1 4.09Å; F160-L200 HydrophobicContact CE1-CB 4.31Å; F160-L200 HydrophobicContact CE1-CD1 4.23Å; F160-L200 HydrophobicContact CE1-CD2 4.26Å; F160-L200 HydrophobicContact CZ-CB 4.04Å; L165-L200 HydrophobicContact CD1-CB 4.01Å; L165-L200 HydrophobicContact CD2-CB 4.28Å; L165-L200 WeakPolarHBondContact CD2-O 3.32Å; A196-L200 VanDerWaalsContact O-CB 3.3Å; A196-L200 WeakPolarHBondContact O-CB 3.31Å; A196-L200 VanDerWaalsContact O-CG 3.31Å; A196-L200 WeakPolarHBondContact O-CG 3.33Å; A196-L200 PolarHBondContact O-N 3.37Å; Y197-L200 PolarHBondContact O-N 2.71Å; L200-R206 HydrophobicContact CD2-CG 4.02Å; L200-Y209 HydrophobicContact CD2-CD1 4.18Å; L200-Y209 HydrophobicContact CD2-CE1 4.42Å
201S90.5Very high89.7Confident58 Ų5859.4 Ų59.441%0.40632%0.317SS..THydrogen-bonded Turntrans-83.1-17.5177.468.10000114.2Y197 V199Y197-S201 WeakPolarHBondContact O-CB 3.49Å; Y197-S201 PolarHBondContact O-N 3.3Å; Y197-S201 PolarHBondContact O-OG 3.3Å; V199-S201 PolarHBondContact O-N 2.89Å
202D89.2Confident89.4Confident56 Ų5660 Ų6030%0.29932%0.32SS..SBendtrans-108.1113.6179.4174.4-18.7000108.4A204 K205 R206D202-A204 PolarHBondContact O-N 2.99Å; D202-A204 VanDerWaalsContact O-N 3.15Å; D202-A204 PolarHBondContact OD1-N 3.49Å; D202-K205 HydrophobicContact CB-CB 4.07Å; D202-K205 HydrophobicContact CB-CD 4.12Å; D202-K205 HydrophobicContact CB-CG 4.06Å; D202-K205 PolarHBondContact O-N 3.47Å; D202-K205 PolarHBondContact OD1-N 2.89Å; D202-K205 WeakPolarHBondContact OD2-CE 3.44Å; D202-K205 WeakPolarHBondContact OD2-CG 3.39Å; D202-K205 IonicContact OD2-NZ 2.75Å; D202-K205 PolarHBondContact OD2-NZ 3.19Å; D202-R206 WeakPolarHBondContact O-CB 3.35Å; D202-R206 PolarHBondContact O-N 3.41Å
203S89.1Confident88.8Confident97 Ų9760.5 Ų60.568%0.67833%0.327SS*.Hα-helixtrans-55.2-36-176.7-164.30000112.9E207S203-E207 WeakPolarHBondContact O-CB 3.4Å; S203-E207 PolarHBondContact O-N 3.06Å
204A88.1Confident87.7Confident49 Ų4963.6 Ų63.641%0.40534%0.341SS..Hα-helixtrans-82.3-15.8-178.100000113.1D202 R208D202-A204 PolarHBondContact O-N 2.99Å; D202-A204 VanDerWaalsContact O-N 3.15Å; D202-A204 PolarHBondContact OD1-N 3.49Å; A204-R208 PolarHBondContact O-NE 2.95Å; A204-R208 PolarHBondContact O-NH2 3.19Å
205K89.8Confident86Confident91 Ų9169.6 Ų69.640%0.39636%0.364SS..Hα-helixtrans-87.2-41.6166.8-67.2-176.1-169.395.30110.8V199 D202 R208 Y209V199-K205 HydrophobicContact CG1-CB 4.26Å; D202-K205 HydrophobicContact CB-CB 4.07Å; D202-K205 HydrophobicContact CB-CD 4.12Å; D202-K205 HydrophobicContact CB-CG 4.06Å; D202-K205 PolarHBondContact O-N 3.47Å; D202-K205 PolarHBondContact OD1-N 2.89Å; D202-K205 WeakPolarHBondContact OD2-CE 3.44Å; D202-K205 WeakPolarHBondContact OD2-CG 3.39Å; D202-K205 IonicContact OD2-NZ 2.75Å; D202-K205 PolarHBondContact OD2-NZ 3.19Å; K205-R208 PolarHBondContact O-N 2.84Å; K205-Y209 PolarHBondContact O-N 2.66Å
206R91Very high84.1Confident55 Ų5572.9 Ų72.921%0.20838%0.377CS..Hα-helixtrans-56.3-49.6175.1178.2177.8173.9176.74.4111.7Y151 K158 V199 L200 D202 R208 Y209 D210Y151-R206 PolarHBondContact OH-NE 3.13Å; Y151-R206 PolarHBondContact OH-NH2 2.67Å; K158-R206 PolarHBondContact O-NH2 2.96Å; V199-R206 PolarHBondContact O-N 3.1Å; L200-R206 HydrophobicContact CD2-CG 4.02Å; D202-R206 WeakPolarHBondContact O-CB 3.35Å; D202-R206 PolarHBondContact O-N 3.41Å; R206-R208 VanDerWaalsContact C-N 3.34Å; R206-R208 PolarHBondContact O-N 2.83Å; R206-Y209 CarbonylContact O-C 3.54Å; R206-Y209 PolarHBondContact O-N 2.67Å; R206-Y209 VanDerWaalsContact O-N 3.13Å; R206-D210 WeakPolarHBondContact CG-OD2 3.31Å; R206-D210 IonicContact NE-OD2 3.47Å; R206-D210 PolarHBondContact NE-OD2 3.09Å; R206-D210 VanDerWaalsContact NE-OD2 3.17Å; R206-D210 IonicContact NH2-OD2 2.69Å; R206-D210 WeakPolarHBondContact O-CB 3.37Å; R206-D210 PolarHBondContact O-N 3.2Å
207E88.4Confident81.7Confident124 Ų12481.8 Ų81.858%0.57942%0.419SS*.Hα-helixtrans-59.2-43.9179.5-177.5174.2-155.800111.9S203 Y209 D210 M211S203-E207 WeakPolarHBondContact O-CB 3.4Å; S203-E207 PolarHBondContact O-N 3.06Å; E207-Y209 PolarHBondContact O-N 2.78Å; E207-D210 PolarHBondContact O-N 3.04Å; E207-M211 HydrophobicContact CG-SD 4.44Å; E207-M211 WeakPolarHBondContact O-CB 3.42Å; E207-M211 WeakPolarHBondContact O-CG 3.47Å; E207-M211 PolarHBondContact O-N 2.95Å
208R87.6Confident79Confident149 Ų14985.6 Ų85.656%0.56245%0.446SS*.Hα-helixtrans-62-42.6173.4-81.8178.4-76.3169.3-4.8112.4A204 K205 R206 M211 F212A204-R208 PolarHBondContact O-NE 2.95Å; A204-R208 PolarHBondContact O-NH2 3.19Å; K205-R208 PolarHBondContact O-N 2.84Å; R206-R208 VanDerWaalsContact C-N 3.34Å; R206-R208 PolarHBondContact O-N 2.83Å; R208-M211 PolarHBondContact O-N 3.19Å; R208-F212 WeakPolarHBondContact O-CD2 3.16Å; R208-F212 PolarHBondContact O-N 2.79Å
209Y88.6Confident76.4Confident20 Ų2088.6 Ų88.68%0.07846%0.46CS..Hα-helixtrans-65.9-36.6175.2172.5-108.9000112.8D149 Y150 Y151 V199 L200 K205 R206 E207 M211 G213 Q214D149-Y209 VanDerWaalsContact CA-OH 3.3Å; D149-Y209 WeakPolarHBondContact CA-OH 3.31Å; D149-Y209 PolarHBondContact OD1-OH 3.36Å; Y150-Y209 AromaticContact CD2-CD1 3.77Å; Y150-Y209 HydrophobicContact CD2-CD1 3.77Å; Y150-Y209 AromaticContact CD2-CD2 3.6Å; Y150-Y209 HydrophobicContact CD2-CD2 3.6Å; Y150-Y209 AromaticContact CD2-CE1 3.61Å; Y150-Y209 HydrophobicContact CD2-CE1 3.61Å; Y150-Y209 AromaticContact CD2-CE2 3.48Å; Y150-Y209 HydrophobicContact CD2-CE2 3.48Å; Y150-Y209 VanDerWaalsContact CD2-CE2 3.48Å; Y150-Y209 AromaticContact CD2-CG 3.77Å; Y150-Y209 HydrophobicContact CD2-CG 3.77Å; Y150-Y209 AromaticContact CD2-CZ 3.5Å; Y150-Y209 VanDerWaalsContact CD2-CZ 3.5Å; Y150-Y209 HydrophobicContact CE2-CD1 4.49Å; Y150-Y209 AromaticContact CE2-CD2 3.56Å; Y150-Y209 HydrophobicContact CE2-CD2 3.56Å; Y150-Y209 AromaticContact CE2-CE2 3.66Å; Y150-Y209 HydrophobicContact CE2-CE2 3.66Å; Y150-Y209 HydrophobicContact CE2-CG 4.03Å; Y150-Y209 HydrophobicContact CG-CE1 4.17Å; Y150-Y209 HydrophobicContact CG-CE2 4.28Å; Y150-Y209 AromaticContact CG-CZ 3.98Å; Y150-Y209 PolarHBondContact N-OH 3.32Å; Y150-Y209 VanDerWaalsContact N-OH 3.08Å; Y151-Y209 AromaticContact CD2-CE1 3.87Å; Y151-Y209 HydrophobicContact CD2-CE1 3.87Å; Y151-Y209 HydrophobicContact CE2-CD1 4.21Å; Y151-Y209 AromaticContact CE2-CE1 3.67Å; Y151-Y209 HydrophobicContact CE2-CE1 3.67Å; V199-Y209 HydrophobicContact CG1-CD1 4.36Å; V199-Y209 HydrophobicContact CG1-CG 4Å; L200-Y209 HydrophobicContact CD2-CD1 4.18Å; L200-Y209 HydrophobicContact CD2-CE1 4.42Å; K205-Y209 PolarHBondContact O-N 2.66Å; R206-Y209 CarbonylContact O-C 3.54Å; R206-Y209 PolarHBondContact O-N 2.67Å; R206-Y209 VanDerWaalsContact O-N 3.13Å; E207-Y209 PolarHBondContact O-N 2.78Å; Y209-M211 VanDerWaalsContact C-N 3.31Å; Y209-M211 PolarHBondContact O-N 3.01Å; Y209-G213 WeakPolarHBondContact CD2-O 3.4Å; Y209-G213 WeakPolarHBondContact O-CA 3.25Å; Y209-G213 PolarHBondContact O-N 3.14Å; Y209-Q214 HydrophobicContact CE2-CB 4.1Å
210D89.2Confident73.8Confident70 Ų7091.9 Ų91.937%0.37448%0.484SS..Hα-helixtrans-71.6-23.9175.7-76.7-36.6000112.4Y151 R206 E207Y151-D210 WeakPolarHBondContact CE2-OD1 3.08Å; Y151-D210 PolarHBondContact OH-OD1 3.41Å; Y151-D210 PolarHBondContact OH-OD2 3.39Å; R206-D210 WeakPolarHBondContact CG-OD2 3.31Å; R206-D210 IonicContact NE-OD2 3.47Å; R206-D210 PolarHBondContact NE-OD2 3.09Å; R206-D210 VanDerWaalsContact NE-OD2 3.17Å; R206-D210 IonicContact NH2-OD2 2.69Å; R206-D210 WeakPolarHBondContact O-CB 3.37Å; R206-D210 PolarHBondContact O-N 3.2Å; E207-D210 PolarHBondContact O-N 3.04Å
211M84.9Confident71Confident132 Ų132103.9 Ų103.965%0.6553%0.529SS*.Hα-helixtrans-87.4-48.5175.6-74.4-176.768.600114.4E207 R208 Y209E207-M211 HydrophobicContact CG-SD 4.44Å; E207-M211 WeakPolarHBondContact O-CB 3.42Å; E207-M211 WeakPolarHBondContact O-CG 3.47Å; E207-M211 PolarHBondContact O-N 2.95Å; R208-M211 PolarHBondContact O-N 3.19Å; Y209-M211 VanDerWaalsContact C-N 3.31Å; Y209-M211 PolarHBondContact O-N 3.01Å
212F82.1Confident68.5Low126 Ų126110.2 Ų110.255%0.55355%0.552SS**Hα-helixtrans-104.5-12.4-171.8-61.1-81.4000113R208R208-F212 WeakPolarHBondContact O-CD2 3.16Å; R208-F212 PolarHBondContact O-N 2.79Å
213G78.1Confident65.9Low35 Ų35112.1 Ų112.136%0.36158%0.576SS.*  trans75-158.8-175.500000112.8Y209 E215Y209-G213 WeakPolarHBondContact CD2-O 3.4Å; Y209-G213 WeakPolarHBondContact O-CA 3.25Å; Y209-G213 PolarHBondContact O-N 3.14Å; G213-E215 VanDerWaalsContact C-N 3.25Å; G213-E215 PolarHBondContact O-N 3.3Å; G213-E215 VanDerWaalsContact O-N 3.12Å
214Q65.8Low63.2Low64 Ų64117 Ų11730%0.29959%0.588SS.*SBendtrans-84.168.8171.7-169.4168.791.200110.1K148 Y150 Y209 E216K148-Q214 PolarHBondContact O-NE2 3Å; Y150-Q214 PolarHBondContact OH-NE2 3.42Å; Y209-Q214 HydrophobicContact CE2-CB 4.1Å; Q214-E216 PolarHBondContact O-N 3.31Å; Q214-E216 VanDerWaalsContact O-N 3.1Å
215E55.4Low60.7Low149 Ų149117.9 Ų117.970%0.69660%0.595SS**  trans-64.7108.2159.5-73.1-168143.700107.8G213 E217G213-E215 VanDerWaalsContact C-N 3.25Å; G213-E215 PolarHBondContact O-N 3.3Å; G213-E215 VanDerWaalsContact O-N 3.12Å; E215-E217 PolarHBondContact O-N 2.75Å
216E50.9Low58Low129 Ų129122.7 Ų122.760%0.60362%0.619SS**  trans-57.5130.4163.5-70175.7-178.700107.3K148 Q214 V218K148-E216 IonicContact NZ-OE1 2.58Å; Q214-E216 PolarHBondContact O-N 3.31Å; Q214-E216 VanDerWaalsContact O-N 3.1Å; E216-V218 HydrophobicContact CB-CG2 3.92Å; E216-V218 WeakPolarHBondContact O-CG2 3.36Å; E216-V218 PolarHBondContact O-N 2.75Å
217E40.5Very low55.6Low187 Ų187127.2 Ų127.287%0.87464%0.642SS**  trans-77.664-171.2-163.6170.7-14900111.2E215 T219E215-E217 PolarHBondContact O-N 2.75Å; E217-T219 PolarHBondContact O-N 3.27Å
218V37.2Very low53Low126 Ų126125 Ų12576%0.76464%0.635SS**  trans-78.244.9-173.8-160.90000112E216E216-V218 HydrophobicContact CB-CG2 3.92Å; E216-V218 WeakPolarHBondContact O-CG2 3.36Å; E216-V218 PolarHBondContact O-N 2.75Å
219T35.8Very low50.9Low112 Ų112125.5 Ų125.569%0.68764%0.638SS**  trans-127.9109.8-178.2-45.60000113E217E217-T219 PolarHBondContact O-N 3.27Å
220S36.4Very low49Very low96 Ų96130.7 Ų130.767%0.67167%0.671SS**  trans48.693156.564.50000120.4Q222S220-Q222 PolarHBondContact O-N 2.92Å; S220-Q222 VanDerWaalsContact O-N 3.14Å
221R33.4Very low46.8Very low256 Ų256137.6 Ų137.697%0.96669%0.692SS**  35.771115-60178.3178.2164.8-0.4117.4
222Q36.2Very low44.5Very low192 Ų192134.4 Ų134.490%0.89769%0.693SS**  trans-124.1154.8153.2-96.3176.2-18.900111.3S220 Q224S220-Q222 PolarHBondContact O-N 2.92Å; S220-Q222 VanDerWaalsContact O-N 3.14Å; Q222-Q224 PolarHBondContact O-N 2.81Å
223A35.7Very low42.3Very low95 Ų95134.4 Ų134.479%0.78569%0.693SS**  trans-71.9124.3-150.500000114.8A225A223-A225 PolarHBondContact O-N 2.99Å
224Q31.3Very low40.3Very low199 Ų199141.1 Ų141.193%0.9372%0.715SS**  trans2161.4151.2-66.1175-100.300117.3Q222Q222-Q224 PolarHBondContact O-N 2.81Å
225A35.9Very low39.1Very low68 Ų68140.6 Ų140.656%0.56272%0.721SS**  trans-83.1103.6151.400000107.4A223 H227A223-A225 PolarHBondContact O-N 2.99Å; A225-H227 VanDerWaalsContact C-N 3.35Å; A225-H227 PolarHBondContact O-N 2.99Å
226E33.6Very low38.7Very low192 Ų192139.1 Ų139.190%0.89772%0.718SS**  trans-69.395.2172.5-169.5172.9148.600108.1D228E226-D228 VanDerWaalsContact C-N 3.29Å; E226-D228 PolarHBondContact O-N 3.45Å
227H41.3Very low38.9Very low151 Ų151138 Ų13870%0.69971%0.714SS**  trans-68.187.6-178.7-78.8-69000110.6A225 Y229A225-H227 VanDerWaalsContact C-N 3.35Å; A225-H227 PolarHBondContact O-N 2.99Å; H227-Y229 HydrophobicContact CB-CE2 4.31Å; H227-Y229 WeakPolarHBondContact O-CD2 3.39Å; H227-Y229 PolarHBondContact O-N 2.94Å
228D33.9Very low40.1Very low78 Ų78132.8 Ų132.842%0.41770%0.695SS.*  trans-65.693.6169.1178.814.3000109.9E226 T230 R231E226-D228 VanDerWaalsContact C-N 3.29Å; E226-D228 PolarHBondContact O-N 3.45Å; D228-T230 PolarHBondContact O-N 2.6Å; D228-T230 WeakPolarHBondContact OD1-CB 3.07Å; D228-T230 PolarHBondContact OD1-N 2.96Å; D228-T230 VanDerWaalsContact OD1-N 3.07Å; D228-T230 PolarHBondContact OD1-OG1 3.34Å; D228-R231 HydrophobicContact CB-CB 4.36Å; D228-R231 WeakPolarHBondContact O-CB 3.08Å; D228-R231 PolarHBondContact O-N 3.07Å
229Y43.4Very low41.2Very low159 Ų159130.9 Ų130.962%0.62469%0.693SS**THydrogen-bonded Turntrans-58.7-10.6176.5-75.4-95.2000113.5N195 H227 R231N195-Y229 WeakPolarHBondContact OD1-CE1 3.5Å; H227-Y229 HydrophobicContact CB-CE2 4.31Å; H227-Y229 WeakPolarHBondContact O-CD2 3.39Å; H227-Y229 PolarHBondContact O-N 2.94Å; Y229-R231 PolarHBondContact O-N 2.89Å
230T47.2Very low42.5Very low128 Ų128132.6 Ų132.679%0.78569%0.693SS**THydrogen-bonded Turntrans-72.6-15.1171.4-30.80000112.6D228D228-T230 PolarHBondContact O-N 2.6Å; D228-T230 WeakPolarHBondContact OD1-CB 3.07Å; D228-T230 PolarHBondContact OD1-N 2.96Å; D228-T230 VanDerWaalsContact OD1-N 3.07Å; D228-T230 PolarHBondContact OD1-OG1 3.34Å
231R43.9Very low43.4Very low216 Ų216132.2 Ų132.282%0.81568%0.68SS**SBendtrans-116.6-0.3-163.8-150.4173.3-171.8154.40.8115.3D228 Y229D228-R231 HydrophobicContact CB-CB 4.36Å; D228-R231 WeakPolarHBondContact O-CB 3.08Å; D228-R231 PolarHBondContact O-N 3.07Å; Y229-R231 PolarHBondContact O-N 2.89Å
232G37.3Very low45Very low64 Ų64124.3 Ų124.366%0.6666%0.656SS**  trans-107.713.5179.800000114.7E234G232-E234 PolarHBondContact O-N 2.82Å
233F35.5Very low46.3Very low127 Ų127121.2 Ų121.256%0.55764%0.64SS**  trans-88.685.7175.6-160.3-96000109.4Y169 A235Y169-F233 HydrophobicContact CE1-CE2 4.18Å; Y169-F233 HydrophobicContact CE1-CZ 4.48Å; F233-A235 HydrophobicContact CD1-CB 3.69Å; F233-A235 HydrophobicContact CE1-CB 3.61Å; F233-A235 PolarHBondContact O-N 3.18Å
234E36.4Very low47.9Very low175 Ų175121.5 Ų121.582%0.81863%0.628SS**  trans-67.565.2173.7-68.3-179.5161.600111.3G232G232-E234 PolarHBondContact O-N 2.82Å
235A40.3Very low49.5Very low53 Ų53118 Ų11844%0.43861%0.614SS.*  trans-105.470.1152.500000106.5F233 M237F233-A235 HydrophobicContact CD1-CB 3.69Å; F233-A235 HydrophobicContact CE1-CB 3.61Å; F233-A235 PolarHBondContact O-N 3.18Å; A235-M237 CarbonylContact O-C 3.56Å; A235-M237 PolarHBondContact O-N 3.05Å
236D46.8Very low50.8Low119 Ų119122.3 Ų122.364%0.63662%0.62SS**  trans-69.737.2-173.9-73.16.2000113.7
237M54.8Low52.5Low105 Ų105118.9 Ų118.952%0.51760%0.602SS.*  trans-14290.6158.7-50.8-176-177.300107.1A235 I242 M245A235-M237 CarbonylContact O-C 3.56Å; A235-M237 PolarHBondContact O-N 3.05Å; M237-I242 HydrophobicContact CB-CD1 4.12Å; M237-I242 HydrophobicContact CB-CG1 3.45Å; M237-I242 VanDerWaalsContact CB-CG1 3.45Å; M237-I242 HydrophobicContact CG-CG1 4.46Å; M237-I242 HydrophobicContact SD-CG1 4.34Å; M237-M245 HydrophobicContact CE-CE 4Å; M237-M245 HydrophobicContact CE-SD 4.24Å; M237-M245 HydrophobicContact CG-CE 4.11Å; M237-M245 HydrophobicContact SD-CE 4.03Å; M237-M245 HydrophobicContact SD-SD 4.31Å
238T66.5Low53Low78 Ų78113.1 Ų113.148%0.47958%0.584SS.*  trans-56.9158.9166.165.30000110.1E240 E241 I242T238-E240 PolarHBondContact O-N 3.1Å; T238-E240 VanDerWaalsContact O-N 3.17Å; T238-E241 PolarHBondContact N-OE2 3.17Å; T238-E241 CarbonylContact O-C 3.55Å; T238-E241 WeakPolarHBondContact O-CA 3.28Å; T238-E241 WeakPolarHBondContact O-CB 3.35Å; T238-E241 PolarHBondContact O-N 3.09Å; T238-E241 WeakPolarHBondContact OG1-CB 3.42Å; T238-E241 PolarHBondContact OG1-N 2.9Å; T238-E241 VanDerWaalsContact OG1-N 3.09Å; T238-I242 WeakPolarHBondContact O-CG1 3.38Å; T238-I242 PolarHBondContact O-N 3.26Å
239A60.2Low53.8Low85 Ų85113.4 Ų113.470%0.70261%0.605SS**Hα-helixtrans-57.7-34.5178.400000112.3F243A239-F243 VanDerWaalsContact O-CB 3.28Å; A239-F243 WeakPolarHBondContact O-CB 3.49Å; A239-F243 PolarHBondContact O-N 2.94Å
240E62.6Low54.1Low148 Ų148110 Ų11069%0.69260%0.601SS**Hα-helixtrans-68.5-34.5173-63.8177.6-172.800112.1T238 F243 N244T238-E240 PolarHBondContact O-N 3.1Å; T238-E240 VanDerWaalsContact O-N 3.17Å; E240-F243 CarbonylContact O-C 3.58Å; E240-F243 PolarHBondContact O-N 3.29Å; E240-N244 WeakPolarHBondContact O-CB 3.31Å; E240-N244 PolarHBondContact O-N 3.05Å; E240-N244 PolarHBondContact O-ND2 2.96Å
241E56.1Low54Low88 Ų88112.5 Ų112.541%0.41160%0.601SS.*Hα-helixtrans-79-35.7179-174163.3-135.900113T238 F243 N244 M245T238-E241 PolarHBondContact N-OE2 3.17Å; T238-E241 CarbonylContact O-C 3.55Å; T238-E241 WeakPolarHBondContact O-CA 3.28Å; T238-E241 WeakPolarHBondContact O-CB 3.35Å; T238-E241 PolarHBondContact O-N 3.09Å; T238-E241 WeakPolarHBondContact OG1-CB 3.42Å; T238-E241 PolarHBondContact OG1-N 2.9Å; T238-E241 VanDerWaalsContact OG1-N 3.09Å; E241-F243 VanDerWaalsContact C-N 3.31Å; E241-N244 PolarHBondContact O-N 3.05Å; E241-M245 WeakPolarHBondContact O-CB 3.11Å; E241-M245 PolarHBondContact O-N 3.46Å
242I65.6Low54.1Low90 Ų90108.2 Ų108.246%0.46260%0.604SS.*Hα-helixtrans-58.6-47.4164-60.5175.5000109.1M237 T238 N244 M245 F246M237-I242 HydrophobicContact CB-CD1 4.12Å; M237-I242 HydrophobicContact CB-CG1 3.45Å; M237-I242 VanDerWaalsContact CB-CG1 3.45Å; M237-I242 HydrophobicContact CG-CG1 4.46Å; M237-I242 HydrophobicContact SD-CG1 4.34Å; T238-I242 WeakPolarHBondContact O-CG1 3.38Å; T238-I242 PolarHBondContact O-N 3.26Å; I242-N244 PolarHBondContact O-N 2.91Å; I242-M245 PolarHBondContact O-N 3.17Å; I242-F246 VanDerWaalsContact O-CB 3.31Å; I242-F246 WeakPolarHBondContact O-CB 3.47Å; I242-F246 PolarHBondContact O-N 3.38Å
243F64.1Low54.3Low128 Ų128116 Ų11656%0.56161%0.614SS**Hα-helixtrans-65.9-37.4-179.7-162.9-91.8000112A239 E240 E241 F247 G248A239-F243 VanDerWaalsContact O-CB 3.28Å; A239-F243 WeakPolarHBondContact O-CB 3.49Å; A239-F243 PolarHBondContact O-N 2.94Å; E240-F243 CarbonylContact O-C 3.58Å; E240-F243 PolarHBondContact O-N 3.29Å; E241-F243 VanDerWaalsContact C-N 3.31Å; F243-F247 HydrophobicContact CD1-CB 4.39Å; F243-F247 HydrophobicContact CD1-CD2 4.41Å; F243-F247 AromaticContact CD2-CD2 3.64Å; F243-F247 HydrophobicContact CD2-CD2 3.64Å; F243-F247 HydrophobicContact CD2-CE2 4.04Å; F243-F247 HydrophobicContact CE1-CB 4.18Å; F243-F247 HydrophobicContact CE1-CD2 4.41Å; F243-F247 AromaticContact CE2-CD2 3.64Å; F243-F247 HydrophobicContact CE2-CD2 3.64Å; F243-F247 AromaticContact CE2-CE2 3.97Å; F243-F247 HydrophobicContact CE2-CE2 3.97Å; F243-F247 HydrophobicContact CE2-CG 4.4Å; F243-F247 HydrophobicContact CG-CD2 4.04Å; F243-F247 HydrophobicContact CZ-CB 4.39Å; F243-F247 HydrophobicContact CZ-CD2 4.04Å; F243-F247 HydrophobicContact CZ-CG 4.38Å; F243-F247 WeakPolarHBondContact O-CA 3.43Å; F243-F247 WeakPolarHBondContact O-CB 3.44Å; F243-F247 PolarHBondContact O-N 3.4Å; F243-G248 PolarHBondContact O-N 3.24Å
244N68.2Low54.5Low100 Ų100116.1 Ų116.154%0.53562%0.62SS.*Hα-helixtrans-74.7-33.2176.9-72.7-32.3000112.6E240 E241 I242 G248E240-N244 WeakPolarHBondContact O-CB 3.31Å; E240-N244 PolarHBondContact O-N 3.05Å; E240-N244 PolarHBondContact O-ND2 2.96Å; E241-N244 PolarHBondContact O-N 3.05Å; I242-N244 PolarHBondContact O-N 2.91Å; N244-G248 WeakPolarHBondContact O-CA 3.08Å; N244-G248 PolarHBondContact O-N 3.4Å
245M66.2Low54.9Low126 Ų126115.7 Ų115.762%0.62162%0.618SS**Hα-helixtrans-68.8-33.4173.3-174.1-175.4-55.900112.2M237 E241 I242M237-M245 HydrophobicContact CE-CE 4Å; M237-M245 HydrophobicContact CE-SD 4.24Å; M237-M245 HydrophobicContact CG-CE 4.11Å; M237-M245 HydrophobicContact SD-CE 4.03Å; M237-M245 HydrophobicContact SD-SD 4.31Å; E241-M245 WeakPolarHBondContact O-CB 3.11Å; E241-M245 PolarHBondContact O-N 3.46Å; I242-M245 PolarHBondContact O-N 3.17Å
246F62.9Low55.1Low158 Ų158120.6 Ų120.669%0.69364%0.636SS**Hα-helixtrans-97.5-27.6-176.9-152-82000114I242I242-F246 VanDerWaalsContact O-CB 3.31Å; I242-F246 WeakPolarHBondContact O-CB 3.47Å; I242-F246 PolarHBondContact O-N 3.38Å
247F69Low54.8Low121 Ų121125.7 Ų125.753%0.53165%0.648SS.*Hα-helixtrans-134.7-12.8-175.4-55.3-77.2000114.9F243 G249F243-F247 HydrophobicContact CD1-CB 4.39Å; F243-F247 HydrophobicContact CD1-CD2 4.41Å; F243-F247 AromaticContact CD2-CD2 3.64Å; F243-F247 HydrophobicContact CD2-CD2 3.64Å; F243-F247 HydrophobicContact CD2-CE2 4.04Å; F243-F247 HydrophobicContact CE1-CB 4.18Å; F243-F247 HydrophobicContact CE1-CD2 4.41Å; F243-F247 AromaticContact CE2-CD2 3.64Å; F243-F247 HydrophobicContact CE2-CD2 3.64Å; F243-F247 AromaticContact CE2-CE2 3.97Å; F243-F247 HydrophobicContact CE2-CE2 3.97Å; F243-F247 HydrophobicContact CE2-CG 4.4Å; F243-F247 HydrophobicContact CG-CD2 4.04Å; F243-F247 HydrophobicContact CZ-CB 4.39Å; F243-F247 HydrophobicContact CZ-CD2 4.04Å; F243-F247 HydrophobicContact CZ-CG 4.38Å; F243-F247 WeakPolarHBondContact O-CA 3.43Å; F243-F247 WeakPolarHBondContact O-CB 3.44Å; F243-F247 PolarHBondContact O-N 3.4Å; F247-G249 VanDerWaalsContact C-N 3.33Å; F247-G249 PolarHBondContact O-N 3.4Å
248G53.1Low54.3Low30 Ų30131.9 Ų131.931%0.30967%0.665SS.*  trans-76.7-8.2-168.400000116.5F243 N244 V250F243-G248 PolarHBondContact O-N 3.24Å; N244-G248 WeakPolarHBondContact O-CA 3.08Å; N244-G248 PolarHBondContact O-N 3.4Å; G248-V250 PolarHBondContact O-N 3.03Å
249G50.2Low53.1Low84 Ų84139.6 Ų139.687%0.86669%0.685SS**THydrogen-bonded Turntrans-67.18.5-173.500000117F247F247-G249 VanDerWaalsContact C-N 3.33Å; F247-G249 PolarHBondContact O-N 3.4Å
250V49.6Very low52.1Low88 Ų88140.5 Ų140.553%0.53368%0.684SS.*THydrogen-bonded Turntrans-113.1-26.6-168.6-156.40000113.7G248G248-V250 PolarHBondContact O-N 3.03Å
251F44.6Very low51.2Low179 Ų179140.1 Ų140.179%0.78569%0.692SS**SBendtrans-141.770.5-168.5-63-69.9000115.4
252S45.6Very low50.5Low127 Ų127143.4 Ų143.489%0.88871%0.707SS**  trans-179.9118.6132.9-81.60000110.7
253R41.1Very low49.4Very low227 Ų227146.9 Ų146.986%0.85772%0.719SS**  trans-89.6154.7159.1-69.1171.164.6141.8-0.4108.5
254D41.4Very low48.4Very low130 Ų130151 Ų15170%0.69573%0.732SS**SBendtrans79.5130.4163.8-64.6-70.1000119.7
255Q44.7Very low46.9Very low166 Ų166155.7 Ų155.778%0.77674%0.743SS**  trans7078.9150.9-62.916949.800120.7
256I43.1Very low45.8Very low156 Ų156155.1 Ų155.180%0.874%0.739SS**  trans-129.2116.1133.8-61.5-176.4000109.7R258I256-R258 PolarHBondContact O-N 2.77Å
257Y40.7Very low44.7Very low226 Ų226156.4 Ų156.489%0.88675%0.747SS**  trans-69.2122.9167.7-82.4-107.5000110
258R44.4Very low43.1Very low235 Ų235161.2 Ų161.289%0.88776%0.761SS**  trans-119.9132.5156-81.8-170.1173.3176.41.5110.4I256I256-R258 PolarHBondContact O-N 2.77Å
259R42.5Very low42.5Very low239 Ų239164.5 Ų164.590%0.90279%0.786SS**  trans-92.3129.2-167.8-166-179-168.9178.93109.1
260P38.7Very low42.1Very low105 Ų105166.7 Ų166.768%0.68278%0.777SS**  trans-81.5143.4-176.531.8-34.6000112.3
261T43.4Very low41.8Very low140 Ų140172 Ų17286%0.85980%0.796SS**  trans-136.2122.3166.945.80000108.5
262H42.2Very low41.5Very low156 Ų156174.2 Ų174.272%0.72280%0.799SS**  trans-99.5177.3-172.7-93.7-88.2000113
263F41.2Very low41.2Very low164 Ų164171.3 Ų171.372%0.71979%0.789SS**  trans80.3132.3168.5-45.9-73.1000114.4
264Y43.5Very low41.4Very low213 Ų213167.6 Ų167.684%0.83579%0.786SS**  cis-126.9170.45.8-53.6-99000109.5
265R37.5Very low41.5Very low199 Ų199166.7 Ų166.775%0.75180%0.797SS**  cis76.9135.521.4-133.2-169.7165.8149.6-6.2114.1
266H41.4Very low42Very low115 Ų115165.8 Ų165.853%0.53280%0.797SS.*  cis-97.3-166.5-12.2-113.4-84000108.9
267E40.5Very low42.6Very low185 Ų185164 Ų16486%0.86479%0.789SS**  cis-153.7-170.232.3-150.7144.512500113.4
268R35.4Very low43.6Very low222 Ų222157.8 Ų157.884%0.83878%0.779SS**  trans-129.3136.5-171.1-79.2-177.8166121.8-7.2113.7
269A41.9Very low44.8Very low99 Ų99150.7 Ų150.782%0.81876%0.761SS**  trans-150.4101.8143.400000106.6
270D40.3Very low46.1Very low129 Ų129140.8 Ų140.869%0.6973%0.734SS**  8779.974-158.814000112.6
271H44.5Very low47.6Very low199 Ų199138.5 Ų138.592%0.92172%0.723SS**  trans-118.4128159.6-93.5-64.4000108.6
272R37.9Very low49Very low227 Ų227137.4 Ų137.486%0.85771%0.712SS**  trans-140.5117.1-162.5-175.4176.1-179.1168.7-1.7108.8
273G40Very low50.8Low65 Ų65135.2 Ų135.267%0.6770%0.704SS**  trans105138.9-163.900000110.5
274D44.8Very low52.4Low150 Ų150135.3 Ų135.380%0.80271%0.707SS**  cis-122130.83.3-77.8-48.2000113N276D274-N276 PolarHBondContact O-N 2.95Å
275A43.9Very low54.4Low111 Ų111129.9 Ų129.992%0.91769%0.692SS**SBendtrans-80.448.1174.800000111.9
276N53.4Low56.8Low147 Ų147125.2 Ų125.279%0.78668%0.681SS**  trans-158.456.9-178.3-133.90.4000114D274D274-N276 PolarHBondContact O-N 2.95Å
277N55.6Low59Low118 Ų118123.6 Ų123.663%0.63168%0.681SS**  trans-154.456175.7-111.5-38.3000114.9V279 G280N277-V279 PolarHBondContact O-N 3.37Å; N277-G280 PolarHBondContact O-N 3.39Å
278S62.5Low61.2Low95 Ų95120.2 Ų120.266%0.66467%0.668SS**Hα-helixtrans-56.1-34171.152.70000112.8L282S278-L282 WeakPolarHBondContact O-CG 3.33Å; S278-L282 PolarHBondContact O-N 2.8Å
279V69.9Low63.7Low87 Ų87114.6 Ų114.653%0.52765%0.654SS.*Hα-helixtrans-64.2-37.2175.1-173.20000111.8N277 L282 I283N277-V279 PolarHBondContact O-N 3.37Å; V279-L282 PolarHBondContact O-N 3.48Å; V279-I283 HydrophobicContact CG1-CD1 3.93Å; V279-I283 HydrophobicContact CG1-CG1 4.39Å; V279-I283 WeakPolarHBondContact O-CG1 3.21Å; V279-I283 PolarHBondContact O-N 2.97Å
280G69.6Low66.1Low31 Ų31113 Ų11332%0.3263%0.634SS.*Hα-helixtrans-62.3-44.4178.700000112.9N277 L282 I283 Q284N277-G280 PolarHBondContact O-N 3.39Å; G280-L282 VanDerWaalsContact C-N 3.33Å; G280-L282 PolarHBondContact O-N 2.74Å; G280-I283 PolarHBondContact O-N 3.3Å; G280-Q284 PolarHBondContact O-N 3.24Å
281A70.2Confident68.5Low56 Ų56111 Ų11146%0.46363%0.627SS.*Hα-helixtrans-64.1-37175.200000112.4Q284 L285A281-Q284 PolarHBondContact O-N 3.16Å; A281-L285 WeakPolarHBondContact O-CG 3.37Å; A281-L285 PolarHBondContact O-N 3.3Å; A281-L285 VanDerWaalsContact O-N 3.16Å
282L73.5Confident70.7Confident117 Ų117105.2 Ų105.261%0.61361%0.605SS**Hα-helixtrans-67.5-38.6174.8-70.4170.9000112.4S278 V279 G280 Q284 L285 L286S278-L282 WeakPolarHBondContact O-CG 3.33Å; S278-L282 PolarHBondContact O-N 2.8Å; V279-L282 PolarHBondContact O-N 3.48Å; G280-L282 VanDerWaalsContact C-N 3.33Å; G280-L282 PolarHBondContact O-N 2.74Å; L282-Q284 VanDerWaalsContact C-N 3.34Å; L282-L285 PolarHBondContact O-N 3.42Å; L282-L286 PolarHBondContact O-N 3.01Å
283I79.9Confident73.3Confident111 Ų11197.6 Ų97.657%0.56958%0.583SS**Hα-helixtrans-63.4-40.4174.2-70.4166.7000110.7V279 G280 L285 L286 P287V279-I283 HydrophobicContact CG1-CD1 3.93Å; V279-I283 HydrophobicContact CG1-CG1 4.39Å; V279-I283 WeakPolarHBondContact O-CG1 3.21Å; V279-I283 PolarHBondContact O-N 2.97Å; G280-I283 PolarHBondContact O-N 3.3Å; I283-L285 VanDerWaalsContact C-N 3.28Å; I283-L285 PolarHBondContact O-N 3.03Å; I283-L286 WeakPolarHBondContact O-CB 3.49Å; I283-L286 PolarHBondContact O-N 2.87Å; I283-P287 WeakPolarHBondContact O-CD 3.49Å
284Q75.1Confident75.7Confident165 Ų16599.9 Ų99.977%0.77158%0.579SS**Hα-helixtrans-65.4-29.8176.4-168.7174.44.800112.9G280 A281 L282G280-Q284 PolarHBondContact O-N 3.24Å; A281-Q284 PolarHBondContact O-N 3.16Å; L282-Q284 VanDerWaalsContact C-N 3.34Å
285L85.6Confident77.9Confident100 Ų10096.2 Ų96.252%0.52456%0.563SS.*Hα-helixtrans-82.3-17.3174.1-71171.1000113.8A281 L282 I283 L288 L289A281-L285 WeakPolarHBondContact O-CG 3.37Å; A281-L285 PolarHBondContact O-N 3.3Å; A281-L285 VanDerWaalsContact O-N 3.16Å; L282-L285 PolarHBondContact O-N 3.42Å; I283-L285 VanDerWaalsContact C-N 3.28Å; I283-L285 PolarHBondContact O-N 3.03Å; L285-L288 PolarHBondContact O-N 3.14Å; L285-L288 VanDerWaalsContact O-N 3.14Å; L285-L289 PolarHBondContact O-N 2.92Å
286L86.9Confident80Confident100 Ų10094.3 Ų94.352%0.52454%0.539SS..Hα-helixtrans-59.1-42.1-172.9-170.6150000113.9L282 I283 L288 L289 V290L282-L286 PolarHBondContact O-N 3.01Å; I283-L286 WeakPolarHBondContact O-CB 3.49Å; I283-L286 PolarHBondContact O-N 2.87Å; L286-L288 VanDerWaalsContact C-N 3.33Å; L286-L288 PolarHBondContact O-N 3.31Å; L286-L289 PolarHBondContact O-N 3.29Å; L286-V290 HydrophobicContact CD2-CG2 3.91Å; L286-V290 WeakPolarHBondContact O-CB 3.42Å; L286-V290 VanDerWaalsContact O-CG2 3.32Å; L286-V290 WeakPolarHBondContact O-CG2 3.39Å; L286-V290 PolarHBondContact O-N 2.78Å
287P87.4Confident81.7Confident81 Ų8191.3 Ų91.353%0.52652%0.523SS..Hα-helixtrans-60.5-40.3175.5-24.435000113I283 V290 V291I283-P287 WeakPolarHBondContact O-CD 3.49Å; P287-V290 PolarHBondContact O-N 3.5Å; P287-V291 WeakPolarHBondContact O-CG2 3.48Å; P287-V291 PolarHBondContact O-N 2.83Å
288L87Confident83.3Confident114 Ų11487.3 Ų87.360%0.59751%0.51SS*.Hα-helixtrans-70-40.4178.3-175.4145.6000111.2L285 L286 V290 V291 V292L285-L288 PolarHBondContact O-N 3.14Å; L285-L288 VanDerWaalsContact O-N 3.14Å; L286-L288 VanDerWaalsContact C-N 3.33Å; L286-L288 PolarHBondContact O-N 3.31Å; L288-V290 VanDerWaalsContact C-N 3.34Å; L288-V290 PolarHBondContact O-N 2.94Å; L288-V291 PolarHBondContact O-N 3.31Å; L288-V292 HydrophobicContact CD2-CG2 4.3Å; L288-V292 WeakPolarHBondContact O-CG2 3.32Å; L288-V292 PolarHBondContact O-N 2.96Å
289L88Confident84.2Confident105 Ų10589.5 Ų89.555%0.5551%0.509SS..Hα-helixtrans-61.8-41.9173.3-170.8153.5000111.3L285 L286 V292 V293L285-L289 PolarHBondContact O-N 2.92Å; L286-L289 PolarHBondContact O-N 3.29Å; L289-V292 PolarHBondContact O-N 3.45Å; L289-V293 HydrophobicContact CD2-CG2 3.8Å; L289-V293 WeakPolarHBondContact O-CB 3.49Å; L289-V293 WeakPolarHBondContact O-CG2 3.33Å; L289-V293 PolarHBondContact O-N 2.84Å
290V92Very high84.8Confident64 Ų6491.7 Ų91.739%0.38852%0.517SS..Hα-helixtrans-62.4-42.4175.5167.60000111.4L286 P287 L288 V293 L294L286-V290 HydrophobicContact CD2-CG2 3.91Å; L286-V290 WeakPolarHBondContact O-CB 3.42Å; L286-V290 VanDerWaalsContact O-CG2 3.32Å; L286-V290 WeakPolarHBondContact O-CG2 3.39Å; L286-V290 PolarHBondContact O-N 2.78Å; P287-V290 PolarHBondContact O-N 3.5Å; L288-V290 VanDerWaalsContact C-N 3.34Å; L288-V290 PolarHBondContact O-N 2.94Å; V290-V293 PolarHBondContact O-N 3.39Å; V290-L294 HydrophobicContact CG1-CD1 3.73Å; V290-L294 HydrophobicContact CG1-CG 4.24Å; V290-L294 WeakPolarHBondContact O-CB 3.2Å; V290-L294 VanDerWaalsContact O-CG 3.25Å; V290-L294 WeakPolarHBondContact O-CG 3.41Å; V290-L294 PolarHBondContact O-N 3.4Å
291V90.7Very high85.3Confident89 Ų8997.3 Ų97.354%0.53954%0.54SS..Hα-helixtrans-63.4-43.1175170.90000111.7P287 L288 L294 T295P287-V291 WeakPolarHBondContact O-CG2 3.48Å; P287-V291 PolarHBondContact O-N 2.83Å; L288-V291 PolarHBondContact O-N 3.31Å; V291-L294 PolarHBondContact O-N 2.81Å; V291-T295 WeakPolarHBondContact O-CB 3.25Å; V291-T295 WeakPolarHBondContact O-CG2 3.33Å; V291-T295 PolarHBondContact O-N 3.3Å; V291-T295 PolarHBondContact O-OG1 2.91Å
292V91.1Very high85.8Confident76 Ų7699.9 Ų99.946%0.46155%0.549SS..Hα-helixtrans-63.5-43.1175.4171.70000111.7L288 L289 T295 V296L288-V292 HydrophobicContact CD2-CG2 4.3Å; L288-V292 WeakPolarHBondContact O-CG2 3.32Å; L288-V292 PolarHBondContact O-N 2.96Å; L289-V292 PolarHBondContact O-N 3.45Å; V292-T295 WeakPolarHBondContact CA-OG1 3.37Å; V292-T295 PolarHBondContact O-OG1 2.67Å; V292-V296 WeakPolarHBondContact O-CB 3.46Å; V292-V296 VanDerWaalsContact O-CG2 3.29Å; V292-V296 WeakPolarHBondContact O-CG2 3.41Å; V292-V296 PolarHBondContact O-N 3.41Å
293V91.6Very high86Confident67 Ų6798.5 Ų98.541%0.40655%0.554SS.*Hα-helixtrans-66.2-43.3176.9168.30000111.4L289 V290 V296 L297L289-V293 HydrophobicContact CD2-CG2 3.8Å; L289-V293 WeakPolarHBondContact O-CB 3.49Å; L289-V293 WeakPolarHBondContact O-CG2 3.33Å; L289-V293 PolarHBondContact O-N 2.84Å; V290-V293 PolarHBondContact O-N 3.39Å; V293-V296 PolarHBondContact O-N 2.89Å; V293-L297 HydrophobicContact CG1-CD1 3.66Å; V293-L297 HydrophobicContact CG1-CG 4.19Å; V293-L297 VanDerWaalsContact O-CB 3.27Å; V293-L297 WeakPolarHBondContact O-CB 3.42Å; V293-L297 VanDerWaalsContact O-CG 3.22Å; V293-L297 WeakPolarHBondContact O-CG 3.44Å; V293-L297 PolarHBondContact O-N 3.1Å
294L90.9Very high86Confident113 Ų11397.1 Ų97.159%0.59255%0.548SS*.Hα-helixtrans-66.8-36.7178.4-73.4173.5000112.6V290 V291 G298V290-L294 HydrophobicContact CG1-CD1 3.73Å; V290-L294 HydrophobicContact CG1-CG 4.24Å; V290-L294 WeakPolarHBondContact O-CB 3.2Å; V290-L294 VanDerWaalsContact O-CG 3.25Å; V290-L294 WeakPolarHBondContact O-CG 3.41Å; V290-L294 PolarHBondContact O-N 3.4Å; V291-L294 PolarHBondContact O-N 2.81Å; L294-G298 PolarHBondContact O-N 3.23Å
295T90Very high86.7Confident74 Ų7492.6 Ų92.645%0.45453%0.533SS..Hα-helixtrans-70.4-41.2175.646.10000112.3V291 V292 G298 Q299V291-T295 WeakPolarHBondContact O-CB 3.25Å; V291-T295 WeakPolarHBondContact O-CG2 3.33Å; V291-T295 PolarHBondContact O-N 3.3Å; V291-T295 PolarHBondContact O-OG1 2.91Å; V292-T295 WeakPolarHBondContact CA-OG1 3.37Å; V292-T295 PolarHBondContact O-OG1 2.67Å; T295-G298 PolarHBondContact O-N 2.82Å; T295-Q299 WeakPolarHBondContact O-CG 3.44Å; T295-Q299 PolarHBondContact O-N 3.18Å
296V89.7Confident86.9Confident70 Ų7089.3 Ų89.342%0.42452%0.518SS..Hα-helixtrans-66.4-44.8174.1170.90000111.5V292 V293 G298 Q299 L300V292-V296 WeakPolarHBondContact O-CB 3.46Å; V292-V296 VanDerWaalsContact O-CG2 3.29Å; V292-V296 WeakPolarHBondContact O-CG2 3.41Å; V292-V296 PolarHBondContact O-N 3.41Å; V293-V296 PolarHBondContact O-N 2.89Å; V296-G298 VanDerWaalsContact C-N 3.31Å; V296-G298 PolarHBondContact O-N 3.08Å; V296-Q299 PolarHBondContact O-N 3.21Å; V296-L300 HydrophobicContact CG1-CD1 3.98Å; V296-L300 WeakPolarHBondContact O-CG 3.48Å; V296-L300 PolarHBondContact O-N 2.98Å
297L88.8Confident87.2Confident85 Ų8585.3 Ų85.345%0.44550%0.496SS..Hα-helixtrans-62.1-38.8174-72.8173.8000111.6V293 L300 L301V293-L297 HydrophobicContact CG1-CD1 3.66Å; V293-L297 HydrophobicContact CG1-CG 4.19Å; V293-L297 VanDerWaalsContact O-CB 3.27Å; V293-L297 WeakPolarHBondContact O-CB 3.42Å; V293-L297 VanDerWaalsContact O-CG 3.22Å; V293-L297 WeakPolarHBondContact O-CG 3.44Å; V293-L297 PolarHBondContact O-N 3.1Å; L297-L300 PolarHBondContact O-N 3.25Å; L297-L301 WeakPolarHBondContact O-CB 3.26Å; L297-L301 VanDerWaalsContact O-CG 3.26Å; L297-L301 WeakPolarHBondContact O-CG 3.49Å; L297-L301 PolarHBondContact O-N 3.42Å
298G87.8Confident87.5Confident34 Ų3482.5 Ų82.535%0.35148%0.479SS..Hα-helixtrans-58.1-48172.600000112.1L294 T295 V296 L300 L301 V302L294-G298 PolarHBondContact O-N 3.23Å; T295-G298 PolarHBondContact O-N 2.82Å; V296-G298 VanDerWaalsContact C-N 3.31Å; V296-G298 PolarHBondContact O-N 3.08Å; G298-L300 VanDerWaalsContact C-N 3.29Å; G298-L300 PolarHBondContact O-N 3.39Å; G298-L301 PolarHBondContact O-N 3.39Å; G298-V302 WeakPolarHBondContact O-CG2 3.45Å; G298-V302 PolarHBondContact O-N 2.9Å
299Q83.3Confident87.8Confident140 Ų14079 Ų7965%0.65446%0.46SS*.Hα-helixtrans-63.8-31.2176-71.3175.410.200113.2T295 V296T295-Q299 WeakPolarHBondContact O-CG 3.44Å; T295-Q299 PolarHBondContact O-N 3.18Å; V296-Q299 PolarHBondContact O-N 3.21Å
300L81.1Confident88.1Confident133 Ų13378.4 Ų78.470%0.69646%0.461SS*.Hα-helixtrans-78.1-20.8175.8-70.4168.9000113.8V296 L297 G298V296-L300 HydrophobicContact CG1-CD1 3.98Å; V296-L300 WeakPolarHBondContact O-CG 3.48Å; V296-L300 PolarHBondContact O-N 2.98Å; L297-L300 PolarHBondContact O-N 3.25Å; G298-L300 VanDerWaalsContact C-N 3.29Å; G298-L300 PolarHBondContact O-N 3.39Å
301L81.6Confident88.1Confident150 Ų15082 Ų8279%0.78547%0.472SS*.Hα-helixtrans-96.5-15.4179-70.2171.3000113.5L297 G298 A303L297-L301 WeakPolarHBondContact O-CB 3.26Å; L297-L301 VanDerWaalsContact O-CG 3.26Å; L297-L301 WeakPolarHBondContact O-CG 3.49Å; L297-L301 PolarHBondContact O-N 3.42Å; G298-L301 PolarHBondContact O-N 3.39Å; L301-A303 PolarHBondContact O-N 3.41Å
302V80.3Confident88.1Confident110 Ų11080.7 Ų80.767%0.66746%0.463SS*.SBendtrans-72.3118.5170.7168.50000109.3G298G298-V302 WeakPolarHBondContact O-CG2 3.45Å; G298-V302 PolarHBondContact O-N 2.9Å
303A76.6Confident88.1Confident87 Ų8780.8 Ų80.872%0.71948%0.48SS*.PPolyproline II helixtrans-67.1141.6173.100000111.3L301L301-A303 PolarHBondContact O-N 3.41Å
304D80.9Confident88Confident83 Ų8385 Ų8544%0.44449%0.489SS..PPolyproline II helixtrans-51.5132.8173.1-102.219.8000110.3R314 Q331D304-R314 VanDerWaalsContact CG-NH1 3.29Å; D304-R314 IonicContact OD1-NH1 3.82Å; D304-R314 PolarHBondContact OD1-NH1 2.87Å; D304-R314 IonicContact OD2-CZ 2.65Å; D304-R314 IonicContact OD2-NH1 4Å; D304-R314 PolarHBondContact OD2-NH1 2.98Å; D304-Q331 PolarHBondContact OD2-NE2 3.27Å
305P89.4Confident88.1Confident69 Ų6980.6 Ų80.645%0.44846%0.464SS..PPolyproline II helixtrans-65.6146.9-17926.4-34.6000111.8F307 Y315P305-F307 PolarHBondContact O-N 3.46Å; P305-F307 VanDerWaalsContact O-N 3.13Å; P305-Y315 VanDerWaalsContact O-CE1 3.27Å; P305-Y315 WeakPolarHBondContact O-CE1 3.22Å; P305-Y315 PolarHBondContact O-OH 3.19Å
306P90Very high88.2Confident32 Ų3280.9 Ų80.921%0.20846%0.463CS..SBendtrans-69.4-12.3-17523.3-30.2000114.8Y338 V347P306-Y338 HydrophobicContact CB-CE2 4.08Å; P306-V347 HydrophobicContact CB-CG1 4.41Å; P306-V347 HydrophobicContact CB-CG2 4.27Å; P306-V347 HydrophobicContact CG-CG1 4.48Å; P306-V347 HydrophobicContact CG-CG2 4.35Å
307F93.5Very high88.4Confident16 Ų1680.6 Ų80.67%0.0746%0.461CS..  trans-149.8172.917967.1-88.5000111.8P305 L309 Y328 Y329 V330 V347 Q350 V351 E354P305-F307 PolarHBondContact O-N 3.46Å; P305-F307 VanDerWaalsContact O-N 3.13Å; F307-L309 HydrophobicContact CE2-CG 4.49Å; F307-Y328 HydrophobicContact CB-CD2 3.92Å; F307-Y329 CarbonylContact C-O 3.48Å; F307-Y329 VanDerWaalsContact CA-O 3.24Å; F307-Y329 WeakPolarHBondContact CA-O 3.27Å; F307-V330 HydrophobicContact CB-CG1 4.2Å; F307-V347 HydrophobicContact CD1-CG1 3.72Å; F307-V347 HydrophobicContact CE1-CG1 4.39Å; F307-V347 HydrophobicContact CG-CG1 4.5Å; F307-Q350 HydrophobicContact CE1-CB 3.88Å; F307-Q350 HydrophobicContact CZ-CB 4.25Å; F307-V351 HydrophobicContact CB-CG2 4.28Å; F307-V351 HydrophobicContact CD1-CG2 3.72Å; F307-V351 HydrophobicContact CD2-CG2 3.59Å; F307-V351 HydrophobicContact CE1-CG2 3.87Å; F307-V351 HydrophobicContact CE2-CB 4.37Å; F307-V351 HydrophobicContact CE2-CG2 3.75Å; F307-V351 HydrophobicContact CG-CG2 3.58Å; F307-V351 HydrophobicContact CZ-CB 4.47Å; F307-V351 HydrophobicContact CZ-CG2 3.88Å; F307-E354 VanDerWaalsContact CE2-OE2 3.26Å; F307-E354 WeakPolarHBondContact CE2-OE2 3.42Å; F307-E354 VanDerWaalsContact CZ-OE2 3.29Å; F307-E354 WeakPolarHBondContact CZ-OE2 3.41Å
308S94.2Very high88.7Confident22 Ų2280.9 Ų80.915%0.15446%0.463CS..BIsolated β-bridgetrans-139.8140.8163.5171.20000109.5T310 Y329S308-T310 WeakPolarHBondContact CB-O 3.29Å; S308-T310 PolarHBondContact O-N 2.99Å; S308-T310 PolarHBondContact OG-N 2.96Å; S308-T310 PolarHBondContact OG-O 3.31Å; S308-T310 PolarHBondContact OG-OG1 2.83Å; S308-Y329 PolarHBondContact N-O 3.45Å; S308-Y329 PolarHBondContact O-N 2.88Å
309L92.9Very high89Confident41 Ų4183.2 Ų83.222%0.21546%0.461CS..SBendtrans-70.7-16.2170.4-65.8174.7000112.5F307 V326 V351 E354F307-L309 HydrophobicContact CE2-CG 4.49Å; L309-V326 HydrophobicContact CD2-CG1 4.21Å; L309-V351 HydrophobicContact CD2-CG1 3.96Å; L309-E354 HydrophobicContact CD1-CB 4.33Å; L309-E354 HydrophobicContact CD1-CG 3.96Å; L309-E354 WeakPolarHBondContact CD1-OE1 3.47Å
310T93.1Very high89.6Confident92 Ų9281.1 Ų81.156%0.56445%0.45SS*.SBendtrans-114.6144.6176.162.80000112.4S308 Y329S308-T310 WeakPolarHBondContact CB-O 3.29Å; S308-T310 PolarHBondContact O-N 2.99Å; S308-T310 PolarHBondContact OG-N 2.96Å; S308-T310 PolarHBondContact OG-O 3.31Å; S308-T310 PolarHBondContact OG-OG1 2.83Å; T310-Y329 VanDerWaalsContact C-CD2 3.46Å
311K92.5Very high90.2Very high140 Ų14075 Ų7561%0.60942%0.418SS*.  trans-70.1131.3176.8-167.5178.7-179.2-178.50110.2Y329K311-Y329 HydrophobicContact CB-CD1 3.87Å; K311-Y329 HydrophobicContact CB-CD2 4.23Å; K311-Y329 HydrophobicContact CB-CE1 3.62Å; K311-Y329 HydrophobicContact CB-CE2 4.02Å; K311-Y329 HydrophobicContact CB-CG 4.16Å; K311-Y329 HydrophobicContact CD-CD1 4.46Å; K311-Y329 HydrophobicContact CD-CE1 3.97Å; K311-Y329 HydrophobicContact CG-CD1 3.85Å; K311-Y329 HydrophobicContact CG-CE1 3.76Å; K311-Y329 HydrophobicContact CG-CG 4.49Å
312T91.3Very high90.6Very high60 Ų6071.5 Ų71.537%0.36841%0.406SS..  trans-137179.5175.766.20000110.6R314 Y315T312-R314 VanDerWaalsContact C-N 3.31Å; T312-R314 PolarHBondContact O-N 3.02Å; T312-R314 PolarHBondContact OG1-N 3.45Å; T312-Y315 PolarHBondContact N-O 3.38Å; T312-Y315 CarbonylContact O-C 3.45Å; T312-Y315 VanDerWaalsContact O-O 3.09Å; T312-Y315 VanDerWaalsContact OG1-CD2 3.3Å; T312-Y315 WeakPolarHBondContact OG1-CD2 3.43Å; T312-Y315 PolarHBondContact OG1-N 3Å
313G90.8Very high91Very high78 Ų7871.8 Ų71.880%0.80440%0.404SS*.SBendtrans-62.6-33.5174.200000113.9
314R88.6Confident91.7Very high157 Ų15769.7 Ų69.759%0.59238%0.38SS*.SBendtrans-84-43.2175.9-64.4-169.6-173.8-177.85.8112.3D304 T312 N316 Q331D304-R314 VanDerWaalsContact CG-NH1 3.29Å; D304-R314 IonicContact OD1-NH1 3.82Å; D304-R314 PolarHBondContact OD1-NH1 2.87Å; D304-R314 IonicContact OD2-CZ 2.65Å; D304-R314 IonicContact OD2-NH1 4Å; D304-R314 PolarHBondContact OD2-NH1 2.98Å; T312-R314 VanDerWaalsContact C-N 3.31Å; T312-R314 PolarHBondContact O-N 3.02Å; T312-R314 PolarHBondContact OG1-N 3.45Å; R314-N316 PolarHBondContact O-N 3.23Å; R314-Q331 WeakPolarHBondContact O-CA 3.26Å
315Y93.4Very high92.2Very high19 Ų1971.4 Ų71.48%0.07539%0.386CS..  trans-96.285.5-179.3-56-73.2000109.5P305 T312 Q331P305-Y315 VanDerWaalsContact O-CE1 3.27Å; P305-Y315 WeakPolarHBondContact O-CE1 3.22Å; P305-Y315 PolarHBondContact O-OH 3.19Å; T312-Y315 PolarHBondContact N-O 3.38Å; T312-Y315 CarbonylContact O-C 3.45Å; T312-Y315 VanDerWaalsContact O-O 3.09Å; T312-Y315 VanDerWaalsContact OG1-CD2 3.3Å; T312-Y315 WeakPolarHBondContact OG1-CD2 3.43Å; T312-Y315 PolarHBondContact OG1-N 3Å; Y315-Q331 HydrophobicContact CD1-CG 3.69Å; Y315-Q331 HydrophobicContact CE1-CG 3.42Å; Y315-Q331 VanDerWaalsContact CE1-CG 3.42Å; Y315-Q331 PolarHBondContact OH-NE2 3.07Å; Y315-Q331 VanDerWaalsContact OH-NE2 3.1Å
316N93.6Very high92.4Very high80 Ų8068.5 Ų68.543%0.42837%0.367SS..  trans-112.3-22.5-169.563.7-1.7000114.5R314 V330R314-N316 PolarHBondContact O-N 3.23Å; N316-V330 PolarHBondContact N-O 3.24Å; N316-V330 VanDerWaalsContact N-O 3.15Å
317V93.8Very high92.7Very high65 Ų6571.6 Ų71.639%0.39438%0.378SS..EExtended strand (participates in β ladder)trans-86.6119.3178.6178.80000110Y329 V330V317-Y329 CarbonylContact O-C 3.57Å; V317-Y329 VanDerWaalsContact O-CA 3.31Å; V317-Y329 WeakPolarHBondContact O-CA 3.47Å; V317-V330 HydrophobicContact CB-CG2 3.85Å; V317-V330 HydrophobicContact CG1-CG2 4.06Å; V317-V330 PolarHBondContact N-O 3.36Å; V317-V330 PolarHBondContact O-N 3.44Å
318L94.9Very high92.7Very high90 Ų9070.8 Ų70.847%0.47138%0.375SS..EExtended strand (participates in β ladder)trans-77.6137.5176.2-176.867.2000111.6H327 Y329L318-H327 HydrophobicContact CD1-CB 4.15Å; L318-Y329 HydrophobicContact CB-CD1 4.42Å; L318-Y329 HydrophobicContact CB-CE1 4.22Å; L318-Y329 HydrophobicContact CD1-CD1 4.12Å; L318-Y329 HydrophobicContact CD1-CE1 3.59Å; L318-Y329 HydrophobicContact CD1-CE2 4.29Å; L318-Y329 HydrophobicContact CG-CE1 4.48Å
319R93.8Very high92.8Very high84 Ų8472.3 Ų72.332%0.31738%0.377SS..EExtended strand (participates in β ladder)trans-134169.7170.3-69.3-176.857.5101.16.2110.8H327 Y328 V330 V344 E348R319-H327 WeakPolarHBondContact O-CA 3.42Å; R319-Y328 HydrophobicContact CB-CD1 4.06Å; R319-Y328 HydrophobicContact CB-CD2 4.16Å; R319-Y328 HydrophobicContact CB-CE1 3.67Å; R319-Y328 HydrophobicContact CB-CE2 3.77Å; R319-Y328 HydrophobicContact CB-CG 4.32Å; R319-Y328 HydrophobicContact CG-CE2 4.37Å; R319-Y328 PolarHBondContact N-O 3.1Å; R319-Y328 PolarHBondContact NE-OH 3.22Å; R319-Y328 PolarHBondContact NH2-OH 3.41Å; R319-Y328 PolarHBondContact O-N 2.85Å; R319-V330 HydrophobicContact CG-CG2 4.24Å; R319-V344 VanDerWaalsContact NH2-CG1 3.26Å; R319-E348 IonicContact CZ-OE1 2.78Å; R319-E348 IonicContact NE-OE1 2.62Å; R319-E348 IonicContact NH2-OE1 3.91Å; R319-E348 PolarHBondContact NH2-OE1 2.91Å
320K94.7Very high92.9Very high95 Ų9570.4 Ų70.441%0.41337%0.368SS..EExtended strand (participates in β ladder)trans-124149.1169-83.8-169.6166.5-169.70109.3E325 V326 H327K320-E325 HydrophobicContact CD-CB 4.24Å; K320-E325 IonicContact NZ-OE2 3.3Å; K320-E325 PolarHBondContact NZ-OE2 3.44Å; K320-V326 CarbonylContact C-O 3.56Å; K320-V326 VanDerWaalsContact CA-O 3.3Å; K320-V326 WeakPolarHBondContact CA-O 3.39Å; K320-H327 WeakPolarHBondContact CE-CE1 3.4Å; K320-H327 WeakPolarHBondContact CE-NE2 3.42Å
321T94.4Very high92.9Very high6 Ų668.2 Ų68.24%0.03735%0.351CS..  trans-82.1160.4170.468.30000111.5E325 V326 Y328 E348 V351 E352T321-E325 WeakPolarHBondContact O-CA 3.49Å; T321-V326 HydrophobicContact CG2-CB 4.02Å; T321-V326 PolarHBondContact N-O 2.97Å; T321-V326 PolarHBondContact OG1-N 3.38Å; T321-Y328 HydrophobicContact CG2-CD1 3.71Å; T321-Y328 HydrophobicContact CG2-CE1 3.65Å; T321-E348 HydrophobicContact CG2-CB 4.14Å; T321-E348 HydrophobicContact CG2-CG 4.23Å; T321-V351 HydrophobicContact CG2-CB 3.85Å; T321-V351 HydrophobicContact CG2-CG1 3.47Å; T321-V351 VanDerWaalsContact CG2-CG1 3.47Å; T321-E352 WeakPolarHBondContact CB-OE1 3.44Å; T321-E352 HydrophobicContact CG2-CG 3.86Å; T321-E352 WeakPolarHBondContact OG1-CG 3.34Å; T321-E352 PolarHBondContact OG1-OE1 3.3Å
322S90.2Very high92.9Very high76 Ų7665.3 Ų65.353%0.53135%0.348SS..SBendtrans-75.7-26.6-175.261.10000115.7
323N89.3Confident92.8Very high115 Ų11565.8 Ų65.862%0.61535%0.348SS*.SBendtrans-108-45.7-165.7-40.2-46.2000111.9E352N323-E352 WeakPolarHBondContact CB-OE1 3.48Å; N323-E352 PolarHBondContact N-OE1 3.15Å; N323-E352 VanDerWaalsContact N-OE1 3.14Å; N323-E352 PolarHBondContact ND2-OE2 3.13Å
324L90.2Very high92.9Very high44 Ų4462.4 Ų62.423%0.2331%0.311CS..SBendtrans-104.12.5-178.4-61.5-177.5000113.8V326 E352 V356 I403L324-V326 HydrophobicContact CB-CG2 3.71Å; L324-V326 PolarHBondContact O-N 3.22Å; L324-V326 VanDerWaalsContact O-N 3.14Å; L324-E352 HydrophobicContact CB-CG 4.23Å; L324-E352 HydrophobicContact CD1-CB 4.06Å; L324-E352 HydrophobicContact CD1-CG 4.08Å; L324-E352 HydrophobicContact CG-CG 4.26Å; L324-E352 PolarHBondContact N-OE1 2.98Å; L324-V356 HydrophobicContact CD1-CG2 4.02Å; L324-I403 HydrophobicContact CD1-CD1 4.42Å; L324-I403 HydrophobicContact CD1-CG2 4.33Å; L324-I403 HydrophobicContact CD2-CG1 4.22Å; L324-I403 HydrophobicContact CD2-CG2 4.26Å
325E92.5Very high92.8Very high119 Ų11965.6 Ų65.656%0.55632%0.323SS*.  trans50.827.5-172.6-67.9-159-165.300114.9K320 T321 H327K320-E325 HydrophobicContact CD-CB 4.24Å; K320-E325 IonicContact NZ-OE2 3.3Å; K320-E325 PolarHBondContact NZ-OE2 3.44Å; T321-E325 WeakPolarHBondContact O-CA 3.49Å; E325-H327 PolarHBondContact O-N 3.45Å
326V93.3Very high92.6Very high8 Ų871.1 Ų71.15%0.04835%0.35CS..  trans-65.7126.4-174.5173.50000109.9L309 K320 T321 L324 V351 Y355L309-V326 HydrophobicContact CD2-CG1 4.21Å; K320-V326 CarbonylContact C-O 3.56Å; K320-V326 VanDerWaalsContact CA-O 3.3Å; K320-V326 WeakPolarHBondContact CA-O 3.39Å; T321-V326 HydrophobicContact CG2-CB 4.02Å; T321-V326 PolarHBondContact N-O 2.97Å; T321-V326 PolarHBondContact OG1-N 3.38Å; L324-V326 HydrophobicContact CB-CG2 3.71Å; L324-V326 PolarHBondContact O-N 3.22Å; L324-V326 VanDerWaalsContact O-N 3.14Å; V326-V351 HydrophobicContact CB-CG1 4.29Å; V326-V351 HydrophobicContact CG1-CG1 3.76Å; V326-Y355 HydrophobicContact CB-CG 4.43Å; V326-Y355 HydrophobicContact CG1-CD1 4.37Å; V326-Y355 HydrophobicContact CG1-CD2 3.83Å; V326-Y355 HydrophobicContact CG1-CE2 4.45Å; V326-Y355 HydrophobicContact CG1-CG 3.79Å; V326-Y355 HydrophobicContact CG2-CD1 3.38Å; V326-Y355 HydrophobicContact CG2-CD2 4.22Å; V326-Y355 HydrophobicContact CG2-CE1 3.67Å; V326-Y355 HydrophobicContact CG2-CE2 4.46Å; V326-Y355 HydrophobicContact CG2-CG 3.68Å
327H94.9Very high92.3Very high96 Ų9672.8 Ų72.844%0.44436%0.355SS..EExtended strand (participates in β ladder)trans-73.2125.9173.6-79.4-72.2000110.9L318 R319 K320 E325L318-H327 HydrophobicContact CD1-CB 4.15Å; R319-H327 WeakPolarHBondContact O-CA 3.42Å; K320-H327 WeakPolarHBondContact CE-CE1 3.4Å; K320-H327 WeakPolarHBondContact CE-NE2 3.42Å; E325-H327 PolarHBondContact O-N 3.45Å
328Y95.4Very high92.1Very high0 Ų072.9 Ų72.90%035%0.349CS..EExtended strand (participates in β ladder)trans-137.9158.817569.1-84.9000111.5F307 R319 T321 V330 E348 V351F307-Y328 HydrophobicContact CB-CD2 3.92Å; R319-Y328 HydrophobicContact CB-CD1 4.06Å; R319-Y328 HydrophobicContact CB-CD2 4.16Å; R319-Y328 HydrophobicContact CB-CE1 3.67Å; R319-Y328 HydrophobicContact CB-CE2 3.77Å; R319-Y328 HydrophobicContact CB-CG 4.32Å; R319-Y328 HydrophobicContact CG-CE2 4.37Å; R319-Y328 PolarHBondContact N-O 3.1Å; R319-Y328 PolarHBondContact NE-OH 3.22Å; R319-Y328 PolarHBondContact NH2-OH 3.41Å; R319-Y328 PolarHBondContact O-N 2.85Å; T321-Y328 HydrophobicContact CG2-CD1 3.71Å; T321-Y328 HydrophobicContact CG2-CE1 3.65Å; Y328-V330 HydrophobicContact CD2-CG1 3.66Å; Y328-V330 HydrophobicContact CE2-CG1 3.47Å; Y328-V330 VanDerWaalsContact CE2-CG1 3.47Å; Y328-E348 HydrophobicContact CE1-CG 3.89Å; Y328-E348 WeakPolarHBondContact OH-CG 3.49Å; Y328-E348 PolarHBondContact OH-OE1 3.3Å; Y328-V351 HydrophobicContact CD1-CB 4.45Å; Y328-V351 HydrophobicContact CD1-CG1 3.83Å; Y328-V351 HydrophobicContact CD1-CG2 4.09Å; Y328-V351 HydrophobicContact CD2-CG2 3.88Å; Y328-V351 HydrophobicContact CE1-CG2 4.46Å; Y328-V351 HydrophobicContact CE2-CG2 4.27Å; Y328-V351 HydrophobicContact CG-CB 4.49Å; Y328-V351 HydrophobicContact CG-CG1 3.93Å; Y328-V351 HydrophobicContact CG-CG2 3.77Å
329Y96.2Very high91.7Very high53 Ų5377 Ų7721%0.20836%0.363CS..EExtended strand (participates in β ladder)trans-114.4137.2-177.8-60.3-89.8000110.5F307 S308 T310 K311 V317 L318F307-Y329 CarbonylContact C-O 3.48Å; F307-Y329 VanDerWaalsContact CA-O 3.24Å; F307-Y329 WeakPolarHBondContact CA-O 3.27Å; S308-Y329 PolarHBondContact N-O 3.45Å; S308-Y329 PolarHBondContact O-N 2.88Å; T310-Y329 VanDerWaalsContact C-CD2 3.46Å; K311-Y329 HydrophobicContact CB-CD1 3.87Å; K311-Y329 HydrophobicContact CB-CD2 4.23Å; K311-Y329 HydrophobicContact CB-CE1 3.62Å; K311-Y329 HydrophobicContact CB-CE2 4.02Å; K311-Y329 HydrophobicContact CB-CG 4.16Å; K311-Y329 HydrophobicContact CD-CD1 4.46Å; K311-Y329 HydrophobicContact CD-CE1 3.97Å; K311-Y329 HydrophobicContact CG-CD1 3.85Å; K311-Y329 HydrophobicContact CG-CE1 3.76Å; K311-Y329 HydrophobicContact CG-CG 4.49Å; V317-Y329 CarbonylContact O-C 3.57Å; V317-Y329 VanDerWaalsContact O-CA 3.31Å; V317-Y329 WeakPolarHBondContact O-CA 3.47Å; L318-Y329 HydrophobicContact CB-CD1 4.42Å; L318-Y329 HydrophobicContact CB-CE1 4.22Å; L318-Y329 HydrophobicContact CD1-CD1 4.12Å; L318-Y329 HydrophobicContact CD1-CE1 3.59Å; L318-Y329 HydrophobicContact CD1-CE2 4.29Å; L318-Y329 HydrophobicContact CG-CE1 4.48Å
330V94.9Very high91.5Very high2 Ų277.5 Ų77.51%0.01238%0.376CS..EExtended strand (participates in β ladder)trans-124.7163.9177.2-59.10000111.1F307 N316 V317 R319 Y328 F334F307-V330 HydrophobicContact CB-CG1 4.2Å; N316-V330 PolarHBondContact N-O 3.24Å; N316-V330 VanDerWaalsContact N-O 3.15Å; V317-V330 HydrophobicContact CB-CG2 3.85Å; V317-V330 HydrophobicContact CG1-CG2 4.06Å; V317-V330 PolarHBondContact N-O 3.36Å; V317-V330 PolarHBondContact O-N 3.44Å; R319-V330 HydrophobicContact CG-CG2 4.24Å; Y328-V330 HydrophobicContact CD2-CG1 3.66Å; Y328-V330 HydrophobicContact CE2-CG1 3.47Å; Y328-V330 VanDerWaalsContact CE2-CG1 3.47Å; V330-F334 HydrophobicContact CB-CB 3.8Å; V330-F334 HydrophobicContact CB-CD1 4.42Å; V330-F334 HydrophobicContact CB-CD2 3.82Å; V330-F334 HydrophobicContact CB-CG 3.76Å; V330-F334 HydrophobicContact CG1-CD1 4.35Å; V330-F334 HydrophobicContact CG1-CD2 3.69Å; V330-F334 HydrophobicContact CG1-CE2 3.91Å; V330-F334 HydrophobicContact CG1-CG 3.94Å; V330-F334 HydrophobicContact CG1-CZ 4.32Å; V330-F334 HydrophobicContact CG2-CB 3.67Å; V330-F334 HydrophobicContact CG2-CD1 4.1Å; V330-F334 HydrophobicContact CG2-CD2 4.36Å; V330-F334 HydrophobicContact CG2-CG 3.79Å
331Q92.8Very high91.2Very high46 Ų4679.1 Ų79.122%0.21539%0.388CS..  trans-70.2158.9170.5-49.9-168.84.800110.3D304 R314 Y315 D333 F334D304-Q331 PolarHBondContact OD2-NE2 3.27Å; R314-Q331 WeakPolarHBondContact O-CA 3.26Å; Y315-Q331 HydrophobicContact CD1-CG 3.69Å; Y315-Q331 HydrophobicContact CE1-CG 3.42Å; Y315-Q331 VanDerWaalsContact CE1-CG 3.42Å; Y315-Q331 PolarHBondContact OH-NE2 3.07Å; Y315-Q331 VanDerWaalsContact OH-NE2 3.1Å; Q331-D333 PolarHBondContact O-N 3.33Å; Q331-D333 VanDerWaalsContact O-N 3.11Å; Q331-F334 VanDerWaalsContact O-CB 3.32Å; Q331-F334 WeakPolarHBondContact O-CB 3.42Å; Q331-F334 PolarHBondContact O-N 2.88Å
332S91.2Very high91Very high79 Ų7980.6 Ų80.655%0.55241%0.405SS*.THydrogen-bonded Turntrans-50.4-37.3176.447.40000113.3F334S332-F334 VanDerWaalsContact C-N 3.29Å; S332-F334 PolarHBondContact O-N 2.9Å
333D90.8Very high91.1Very high70 Ų7078.1 Ų78.137%0.37439%0.387SS..THydrogen-bonded Turntrans-87.7-1.4-166.6-59.35.7000112.3Q331 R335 Q336 Q337Q331-D333 PolarHBondContact O-N 3.33Å; Q331-D333 VanDerWaalsContact O-N 3.11Å; D333-R335 PolarHBondContact O-N 3.05Å; D333-R335 VanDerWaalsContact O-N 3.14Å; D333-Q336 WeakPolarHBondContact O-CA 3.42Å; D333-Q336 WeakPolarHBondContact O-CB 3.38Å; D333-Q336 PolarHBondContact O-N 3.45Å; D333-Q337 PolarHBondContact O-N 2.94Å
334F91.4Very high91.2Very high6 Ų673.5 Ų73.53%0.02636%0.363CS..Hα-helixtrans-51.8-39.6-179.3-177.1-92.9000112.9V330 Q331 S332 Q336 Q337 Y338 V344 V347V330-F334 HydrophobicContact CB-CB 3.8Å; V330-F334 HydrophobicContact CB-CD1 4.42Å; V330-F334 HydrophobicContact CB-CD2 3.82Å; V330-F334 HydrophobicContact CB-CG 3.76Å; V330-F334 HydrophobicContact CG1-CD1 4.35Å; V330-F334 HydrophobicContact CG1-CD2 3.69Å; V330-F334 HydrophobicContact CG1-CE2 3.91Å; V330-F334 HydrophobicContact CG1-CG 3.94Å; V330-F334 HydrophobicContact CG1-CZ 4.32Å; V330-F334 HydrophobicContact CG2-CB 3.67Å; V330-F334 HydrophobicContact CG2-CD1 4.1Å; V330-F334 HydrophobicContact CG2-CD2 4.36Å; V330-F334 HydrophobicContact CG2-CG 3.79Å; Q331-F334 VanDerWaalsContact O-CB 3.32Å; Q331-F334 WeakPolarHBondContact O-CB 3.42Å; Q331-F334 PolarHBondContact O-N 2.88Å; S332-F334 VanDerWaalsContact C-N 3.29Å; S332-F334 PolarHBondContact O-N 2.9Å; F334-Q336 VanDerWaalsContact C-N 3.27Å; F334-Q336 PolarHBondContact O-N 3.14Å; F334-Q337 PolarHBondContact O-N 3.36Å; F334-Y338 AromaticContact CD2-CD2 3.48Å; F334-Y338 HydrophobicContact CD2-CD2 3.48Å; F334-Y338 VanDerWaalsContact CD2-CD2 3.48Å; F334-Y338 AromaticContact CD2-CE2 3.92Å; F334-Y338 HydrophobicContact CD2-CE2 3.92Å; F334-Y338 HydrophobicContact CD2-CG 4.31Å; F334-Y338 AromaticContact CE2-CD2 3.46Å; F334-Y338 HydrophobicContact CE2-CD2 3.46Å; F334-Y338 VanDerWaalsContact CE2-CD2 3.46Å; F334-Y338 AromaticContact CE2-CE2 3.9Å; F334-Y338 HydrophobicContact CE2-CE2 3.9Å; F334-Y338 AromaticContact CE2-CG 3.92Å; F334-Y338 HydrophobicContact CE2-CG 3.92Å; F334-Y338 HydrophobicContact CG-CD2 4.07Å; F334-Y338 HydrophobicContact CZ-CD2 4.04Å; F334-Y338 HydrophobicContact CZ-CG 4.07Å; F334-Y338 WeakPolarHBondContact O-CB 3.5Å; F334-Y338 PolarHBondContact O-N 3.16Å; F334-V344 HydrophobicContact CE1-CG2 4.34Å; F334-V347 HydrophobicContact CE2-CB 4.44Å; F334-V347 HydrophobicContact CE2-CG1 4.02Å; F334-V347 HydrophobicContact CE2-CG2 4.23Å; F334-V347 HydrophobicContact CZ-CB 4.3Å; F334-V347 HydrophobicContact CZ-CG1 4.14Å; F334-V347 HydrophobicContact CZ-CG2 4.37Å
335R87.9Confident91.3Very high224 Ų22476.3 Ų76.385%0.84538%0.375SS*.Hα-helixtrans-68.6-24177.4-168.9177.3-177.8-1731.1113.2D333D333-R335 PolarHBondContact O-N 3.05Å; D333-R335 VanDerWaalsContact O-N 3.14Å
336Q88.5Confident91.4Very high136 Ų13678.9 Ų78.964%0.63638%0.38SS*.Hα-helixtrans-83.4-35.2176-51.7-168.236.200111.6D333 F334 K339D333-Q336 WeakPolarHBondContact O-CA 3.42Å; D333-Q336 WeakPolarHBondContact O-CB 3.38Å; D333-Q336 PolarHBondContact O-N 3.45Å; F334-Q336 VanDerWaalsContact C-N 3.27Å; F334-Q336 PolarHBondContact O-N 3.14Å; Q336-K339 WeakPolarHBondContact O-CE 3.35Å; Q336-K339 WeakPolarHBondContact O-CG 3.13Å
337Q86.9Confident91.4Very high114 Ų11478.6 Ų78.653%0.53338%0.378SS..Hα-helixtrans-76-51.1177.6-63.7173.21.900111.6D333 F334 K339D333-Q337 PolarHBondContact O-N 2.94Å; F334-Q337 PolarHBondContact O-N 3.36Å; Q337-K339 PolarHBondContact O-N 3.32Å
338Y89.2Confident91.4Very high67 Ų6774.9 Ų74.926%0.26336%0.361SS..  trans-99.763.2-172.6-63.6-86.8000112P306 F334 T340 V344 V347P306-Y338 HydrophobicContact CB-CE2 4.08Å; F334-Y338 AromaticContact CD2-CD2 3.48Å; F334-Y338 HydrophobicContact CD2-CD2 3.48Å; F334-Y338 VanDerWaalsContact CD2-CD2 3.48Å; F334-Y338 AromaticContact CD2-CE2 3.92Å; F334-Y338 HydrophobicContact CD2-CE2 3.92Å; F334-Y338 HydrophobicContact CD2-CG 4.31Å; F334-Y338 AromaticContact CE2-CD2 3.46Å; F334-Y338 HydrophobicContact CE2-CD2 3.46Å; F334-Y338 VanDerWaalsContact CE2-CD2 3.46Å; F334-Y338 AromaticContact CE2-CE2 3.9Å; F334-Y338 HydrophobicContact CE2-CE2 3.9Å; F334-Y338 AromaticContact CE2-CG 3.92Å; F334-Y338 HydrophobicContact CE2-CG 3.92Å; F334-Y338 HydrophobicContact CG-CD2 4.07Å; F334-Y338 HydrophobicContact CZ-CD2 4.04Å; F334-Y338 HydrophobicContact CZ-CG 4.07Å; F334-Y338 WeakPolarHBondContact O-CB 3.5Å; F334-Y338 PolarHBondContact O-N 3.16Å; Y338-T340 VanDerWaalsContact C-N 3.34Å; Y338-T340 PolarHBondContact O-N 2.85Å; Y338-V344 WeakPolarHBondContact O-CG2 3.41Å; Y338-V347 HydrophobicContact CD1-CG2 3.94Å; Y338-V347 HydrophobicContact CE1-CG2 3.71Å
339K86.6Confident91.3Very high176 Ų17681.9 Ų81.977%0.76539%0.392SS*.  trans-69.1-25-175-58.1-174.9-174.3179.40114.7Q336 Q337Q336-K339 WeakPolarHBondContact O-CE 3.35Å; Q336-K339 WeakPolarHBondContact O-CG 3.13Å; Q337-K339 PolarHBondContact O-N 3.32Å
340T90.3Very high91.2Very high96 Ų9683.9 Ų83.959%0.58940%0.403SS*.SBendtrans-100.7136.9-171.9-53.90000110.9Y338 G342 S343 V344Y338-T340 VanDerWaalsContact C-N 3.34Å; Y338-T340 PolarHBondContact O-N 2.85Å; T340-G342 VanDerWaalsContact C-N 3.33Å; T340-G342 PolarHBondContact O-N 3.17Å; T340-S343 PolarHBondContact N-OG 3.33Å; T340-S343 WeakPolarHBondContact O-CA 3.29Å; T340-S343 WeakPolarHBondContact O-CB 3.48Å; T340-S343 PolarHBondContact O-N 2.97Å; T340-S343 PolarHBondContact O-OG 2.87Å; T340-V344 PolarHBondContact O-N 3.01Å
341L88.8Confident91.3Very high128 Ų12883.8 Ų83.867%0.6740%0.402SS*.Hα-helixtrans-51.7-47.9-178.8-170.272.6000112.9S343 V344 Q345L341-S343 PolarHBondContact O-N 3.49Å; L341-V344 WeakPolarHBondContact O-CB 3.46Å; L341-V344 PolarHBondContact O-N 2.98Å; L341-V344 VanDerWaalsContact O-N 3.08Å; L341-Q345 WeakPolarHBondContact O-CG 3.33Å; L341-Q345 PolarHBondContact O-N 3.26Å
342G90.7Very high91.4Very high38 Ų3882.6 Ų82.639%0.39240%0.396SS..Hα-helixtrans-65.6-17.7177.100000115.1T340 R346T340-G342 VanDerWaalsContact C-N 3.33Å; T340-G342 PolarHBondContact O-N 3.17Å; G342-R346 PolarHBondContact O-N 3.4Å
343S90.8Very high91.6Very high23 Ų2384.4 Ų84.416%0.16140%0.396CS..Hα-helixtrans-79.3-37.2171.173.90000111.5T340 L341 R346 V347T340-S343 PolarHBondContact N-OG 3.33Å; T340-S343 WeakPolarHBondContact O-CA 3.29Å; T340-S343 WeakPolarHBondContact O-CB 3.48Å; T340-S343 PolarHBondContact O-N 2.97Å; T340-S343 PolarHBondContact O-OG 2.87Å; L341-S343 PolarHBondContact O-N 3.49Å; S343-R346 PolarHBondContact O-N 3.4Å; S343-V347 PolarHBondContact O-N 3Å
344V92.1Very high91.7Very high18 Ų1885 Ų8511%0.10940%0.397CS..Hα-helixtrans-68.3-45.7173.7176.80000110.7R319 F334 Y338 T340 L341 R346 V347 E348R319-V344 VanDerWaalsContact NH2-CG1 3.26Å; F334-V344 HydrophobicContact CE1-CG2 4.34Å; Y338-V344 WeakPolarHBondContact O-CG2 3.41Å; T340-V344 PolarHBondContact O-N 3.01Å; L341-V344 WeakPolarHBondContact O-CB 3.46Å; L341-V344 PolarHBondContact O-N 2.98Å; L341-V344 VanDerWaalsContact O-N 3.08Å; V344-R346 PolarHBondContact O-N 2.99Å; V344-V347 WeakPolarHBondContact O-CB 3.49Å; V344-V347 PolarHBondContact O-N 3.28Å; V344-E348 HydrophobicContact CG1-CG 4.32Å; V344-E348 WeakPolarHBondContact CG1-OE1 3.49Å; V344-E348 PolarHBondContact O-N 2.92Å
345Q92.9Very high91.9Very high103 Ų10387.7 Ų87.748%0.48141%0.407SS..Hα-helixtrans-59-31.5176.2-72.6174.5-36.200113L341 K349L341-Q345 WeakPolarHBondContact O-CG 3.33Å; L341-Q345 PolarHBondContact O-N 3.26Å; Q345-K349 WeakPolarHBondContact O-CB 3.35Å; Q345-K349 PolarHBondContact O-N 2.97Å
346R93.3Very high92.3Very high174 Ų17477.7 Ų77.766%0.65737%0.371SS*.Hα-helixtrans-66.5-43.2173.9-170.8-175.1-60.3144.11.9111.6G342 S343 V344 Q350G342-R346 PolarHBondContact O-N 3.4Å; S343-R346 PolarHBondContact O-N 3.4Å; V344-R346 PolarHBondContact O-N 2.99Å; R346-Q350 WeakPolarHBondContact O-CG 3.39Å; R346-Q350 PolarHBondContact O-N 2.88Å
347V93.5Very high92.6Very high2 Ų274 Ų741%0.01236%0.356CS..Hα-helixtrans-65.6-44.4174.8177.20000110.5P306 F307 F334 Y338 S343 V344 K349 Q350 V351P306-V347 HydrophobicContact CB-CG1 4.41Å; P306-V347 HydrophobicContact CB-CG2 4.27Å; P306-V347 HydrophobicContact CG-CG1 4.48Å; P306-V347 HydrophobicContact CG-CG2 4.35Å; F307-V347 HydrophobicContact CD1-CG1 3.72Å; F307-V347 HydrophobicContact CE1-CG1 4.39Å; F307-V347 HydrophobicContact CG-CG1 4.5Å; F334-V347 HydrophobicContact CE2-CB 4.44Å; F334-V347 HydrophobicContact CE2-CG1 4.02Å; F334-V347 HydrophobicContact CE2-CG2 4.23Å; F334-V347 HydrophobicContact CZ-CB 4.3Å; F334-V347 HydrophobicContact CZ-CG1 4.14Å; F334-V347 HydrophobicContact CZ-CG2 4.37Å; Y338-V347 HydrophobicContact CD1-CG2 3.94Å; Y338-V347 HydrophobicContact CE1-CG2 3.71Å; S343-V347 PolarHBondContact O-N 3Å; V344-V347 WeakPolarHBondContact O-CB 3.49Å; V344-V347 PolarHBondContact O-N 3.28Å; V347-K349 VanDerWaalsContact C-N 3.31Å; V347-K349 PolarHBondContact O-N 3.48Å; V347-Q350 WeakPolarHBondContact O-CA 3.38Å; V347-Q350 WeakPolarHBondContact O-CB 3.05Å; V347-Q350 PolarHBondContact O-N 2.04Å; V347-V351 HydrophobicContact CG1-CG2 4.39Å; V347-V351 WeakPolarHBondContact O-CG2 3.24Å; V347-V351 PolarHBondContact O-N 3.3Å
348E94.9Very high93Very high17 Ų1772.1 Ų72.18%0.07935%0.349CS..Hα-helixtrans-63.9-35.6179.5-71.5176179.700112R319 T321 Y328 V344 Q350 V351 E352R319-E348 IonicContact CZ-OE1 2.78Å; R319-E348 IonicContact NE-OE1 2.62Å; R319-E348 IonicContact NH2-OE1 3.91Å; R319-E348 PolarHBondContact NH2-OE1 2.91Å; T321-E348 HydrophobicContact CG2-CB 4.14Å; T321-E348 HydrophobicContact CG2-CG 4.23Å; Y328-E348 HydrophobicContact CE1-CG 3.89Å; Y328-E348 WeakPolarHBondContact OH-CG 3.49Å; Y328-E348 PolarHBondContact OH-OE1 3.3Å; V344-E348 HydrophobicContact CG1-CG 4.32Å; V344-E348 WeakPolarHBondContact CG1-OE1 3.49Å; V344-E348 PolarHBondContact O-N 2.92Å; E348-Q350 PolarHBondContact O-N 3.02Å; E348-V351 WeakPolarHBondContact O-CB 3.26Å; E348-V351 PolarHBondContact O-N 3.35Å; E348-E352 WeakPolarHBondContact O-CG 3.37Å; E348-E352 PolarHBondContact O-N 3.3Å
349K94.3Very high93.3Very high148 Ų14869.7 Ų69.764%0.64334%0.341SS*.Hα-helixtrans-63.7-36.9169.7-175.5174.5179.8176.90113Q345 V347 Q353Q345-K349 WeakPolarHBondContact O-CB 3.35Å; Q345-K349 PolarHBondContact O-N 2.97Å; V347-K349 VanDerWaalsContact C-N 3.31Å; V347-K349 PolarHBondContact O-N 3.48Å; K349-Q353 WeakPolarHBondContact O-CB 3.47Å; K349-Q353 PolarHBondContact O-N 3.49Å
350Q94.4Very high93.8Very high95 Ų9565.2 Ų65.244%0.44432%0.321SS..Hα-helixtrans-68.7-41.4175.3-70.3173.5-55.400111.5F307 R346 V347 E348 Q353 E354F307-Q350 HydrophobicContact CE1-CB 3.88Å; F307-Q350 HydrophobicContact CZ-CB 4.25Å; R346-Q350 WeakPolarHBondContact O-CG 3.39Å; R346-Q350 PolarHBondContact O-N 2.88Å; V347-Q350 WeakPolarHBondContact O-CA 3.38Å; V347-Q350 WeakPolarHBondContact O-CB 3.05Å; V347-Q350 PolarHBondContact O-N 2.04Å; E348-Q350 PolarHBondContact O-N 3.02Å; Q350-Q353 PolarHBondContact O-N 3.43Å; Q350-E354 WeakPolarHBondContact O-CB 3.04Å; Q350-E354 PolarHBondContact O-N 3.28Å
351V95.8Very high94Very high0 Ų065.1 Ų65.10%032%0.316CS..Hα-helixtrans-57.7-48.7172.7172.40000111.1F307 L309 T321 V326 Y328 V347 E348 Q353 E354 Y355F307-V351 HydrophobicContact CB-CG2 4.28Å; F307-V351 HydrophobicContact CD1-CG2 3.72Å; F307-V351 HydrophobicContact CD2-CG2 3.59Å; F307-V351 HydrophobicContact CE1-CG2 3.87Å; F307-V351 HydrophobicContact CE2-CB 4.37Å; F307-V351 HydrophobicContact CE2-CG2 3.75Å; F307-V351 HydrophobicContact CG-CG2 3.58Å; F307-V351 HydrophobicContact CZ-CB 4.47Å; F307-V351 HydrophobicContact CZ-CG2 3.88Å; L309-V351 HydrophobicContact CD2-CG1 3.96Å; T321-V351 HydrophobicContact CG2-CB 3.85Å; T321-V351 HydrophobicContact CG2-CG1 3.47Å; T321-V351 VanDerWaalsContact CG2-CG1 3.47Å; V326-V351 HydrophobicContact CB-CG1 4.29Å; V326-V351 HydrophobicContact CG1-CG1 3.76Å; Y328-V351 HydrophobicContact CD1-CB 4.45Å; Y328-V351 HydrophobicContact CD1-CG1 3.83Å; Y328-V351 HydrophobicContact CD1-CG2 4.09Å; Y328-V351 HydrophobicContact CD2-CG2 3.88Å; Y328-V351 HydrophobicContact CE1-CG2 4.46Å; Y328-V351 HydrophobicContact CE2-CG2 4.27Å; Y328-V351 HydrophobicContact CG-CB 4.49Å; Y328-V351 HydrophobicContact CG-CG1 3.93Å; Y328-V351 HydrophobicContact CG-CG2 3.77Å; V347-V351 HydrophobicContact CG1-CG2 4.39Å; V347-V351 WeakPolarHBondContact O-CG2 3.24Å; V347-V351 PolarHBondContact O-N 3.3Å; E348-V351 WeakPolarHBondContact O-CB 3.26Å; E348-V351 PolarHBondContact O-N 3.35Å; V351-Q353 PolarHBondContact O-N 2.93Å; V351-E354 PolarHBondContact O-N 3.32Å; V351-Y355 VanDerWaalsContact O-CB 3.24Å; V351-Y355 WeakPolarHBondContact O-CB 3.3Å; V351-Y355 PolarHBondContact O-N 3.34Å
352E95.1Very high94.4Very high20 Ų2061.4 Ų61.49%0.09330%0.299CS..Hα-helixtrans-65.2-38.8-179.5-72-178.4164.500111.9T321 N323 L324 E348 V356T321-E352 WeakPolarHBondContact CB-OE1 3.44Å; T321-E352 HydrophobicContact CG2-CG 3.86Å; T321-E352 WeakPolarHBondContact OG1-CG 3.34Å; T321-E352 PolarHBondContact OG1-OE1 3.3Å; N323-E352 WeakPolarHBondContact CB-OE1 3.48Å; N323-E352 PolarHBondContact N-OE1 3.15Å; N323-E352 VanDerWaalsContact N-OE1 3.14Å; N323-E352 PolarHBondContact ND2-OE2 3.13Å; L324-E352 HydrophobicContact CB-CG 4.23Å; L324-E352 HydrophobicContact CD1-CB 4.06Å; L324-E352 HydrophobicContact CD1-CG 4.08Å; L324-E352 HydrophobicContact CG-CG 4.26Å; L324-E352 PolarHBondContact N-OE1 2.98Å; E348-E352 WeakPolarHBondContact O-CG 3.37Å; E348-E352 PolarHBondContact O-N 3.3Å; E352-V356 WeakPolarHBondContact O-CB 3.46Å; E352-V356 VanDerWaalsContact O-CG2 3.28Å; E352-V356 WeakPolarHBondContact O-CG2 3.23Å; E352-V356 PolarHBondContact O-N 3.37Å
353Q94.6Very high94.7Very high117 Ų11760.2 Ų60.255%0.54728%0.284SS..Hα-helixtrans-64.4-50.3174.3-176.5175.1-15.200111.9K349 Q350 V351 Y355 V356 D357K349-Q353 WeakPolarHBondContact O-CB 3.47Å; K349-Q353 PolarHBondContact O-N 3.49Å; Q350-Q353 PolarHBondContact O-N 3.43Å; V351-Q353 PolarHBondContact O-N 2.93Å; Q353-Y355 VanDerWaalsContact C-N 3.32Å; Q353-Y355 PolarHBondContact O-N 3.08Å; Q353-V356 PolarHBondContact O-N 2.83Å; Q353-D357 PolarHBondContact O-N 2.74Å
354E94.6Very high95Very high84 Ų8464.1 Ų64.139%0.39330%0.301SS..Hα-helixtrans-63.5-37.8-179.7-168.1-172.3131.800111.8F307 L309 Q350 V351 D357 N358F307-E354 VanDerWaalsContact CE2-OE2 3.26Å; F307-E354 WeakPolarHBondContact CE2-OE2 3.42Å; F307-E354 VanDerWaalsContact CZ-OE2 3.29Å; F307-E354 WeakPolarHBondContact CZ-OE2 3.41Å; L309-E354 HydrophobicContact CD1-CB 4.33Å; L309-E354 HydrophobicContact CD1-CG 3.96Å; L309-E354 WeakPolarHBondContact CD1-OE1 3.47Å; Q350-E354 WeakPolarHBondContact O-CB 3.04Å; Q350-E354 PolarHBondContact O-N 3.28Å; V351-E354 PolarHBondContact O-N 3.32Å; E354-D357 PolarHBondContact O-N 2.91Å; E354-N358 WeakPolarHBondContact O-CB 3.44Å; E354-N358 PolarHBondContact O-N 3.02Å; E354-N358 PolarHBondContact O-ND2 2.91Å
355Y95.3Very high95.2Very high62 Ų6271 Ų7124%0.24333%0.325CS..Hα-helixtrans-62.8-45.1173.8174.3-102.6000112.2V326 V351 Q353 N358 L359 I403V326-Y355 HydrophobicContact CB-CG 4.43Å; V326-Y355 HydrophobicContact CG1-CD1 4.37Å; V326-Y355 HydrophobicContact CG1-CD2 3.83Å; V326-Y355 HydrophobicContact CG1-CE2 4.45Å; V326-Y355 HydrophobicContact CG1-CG 3.79Å; V326-Y355 HydrophobicContact CG2-CD1 3.38Å; V326-Y355 HydrophobicContact CG2-CD2 4.22Å; V326-Y355 HydrophobicContact CG2-CE1 3.67Å; V326-Y355 HydrophobicContact CG2-CE2 4.46Å; V326-Y355 HydrophobicContact CG2-CG 3.68Å; V351-Y355 VanDerWaalsContact O-CB 3.24Å; V351-Y355 WeakPolarHBondContact O-CB 3.3Å; V351-Y355 PolarHBondContact O-N 3.34Å; Q353-Y355 VanDerWaalsContact C-N 3.32Å; Q353-Y355 PolarHBondContact O-N 3.08Å; Y355-N358 PolarHBondContact O-N 3.37Å; Y355-L359 HydrophobicContact CD1-CD1 3.98Å; Y355-L359 HydrophobicContact CE1-CD1 3.41Å; Y355-L359 VanDerWaalsContact CE1-CD1 3.41Å; Y355-L359 HydrophobicContact CE1-CG 4.26Å; Y355-L359 HydrophobicContact CE2-CD1 4.46Å; Y355-L359 WeakPolarHBondContact O-CG 3.43Å; Y355-L359 PolarHBondContact O-N 2.89Å; Y355-I403 HydrophobicContact CE1-CD1 4.12Å
356V95.5Very high95.4Very high13 Ų1367.5 Ų67.58%0.07931%0.309CS..Hα-helixtrans-68.3-36.7178.2166.30000112L324 E352 Q353 L359 K360 I403 Y404L324-V356 HydrophobicContact CD1-CG2 4.02Å; E352-V356 WeakPolarHBondContact O-CB 3.46Å; E352-V356 VanDerWaalsContact O-CG2 3.28Å; E352-V356 WeakPolarHBondContact O-CG2 3.23Å; E352-V356 PolarHBondContact O-N 3.37Å; Q353-V356 PolarHBondContact O-N 2.83Å; V356-L359 PolarHBondContact O-N 2.97Å; V356-K360 WeakPolarHBondContact O-CG 3.33Å; V356-K360 PolarHBondContact O-N 3.39Å; V356-I403 HydrophobicContact CG2-CD1 4.29Å; V356-I403 HydrophobicContact CG2-CG2 4.16Å; V356-Y404 HydrophobicContact CG1-CE2 3.76Å; V356-Y404 WeakPolarHBondContact CG1-OH 3.49Å
357D95.2Very high95.5Very high60 Ų6063.6 Ų63.632%0.32130%0.298SS..Hα-helixtrans-71.5-36176-71.3-27000112Q353 E354 K360 I361Q353-D357 PolarHBondContact O-N 2.74Å; E354-D357 PolarHBondContact O-N 2.91Å; D357-K360 PolarHBondContact O-N 3.04Å; D357-K360 IonicContact OD1-NZ 3.6Å; D357-K360 PolarHBondContact OD1-NZ 2.92Å; D357-I361 WeakPolarHBondContact O-CG1 3.45Å; D357-I361 PolarHBondContact O-N 3.38Å
358N95.5Very high95.6Very high74 Ų7467.3 Ų67.340%0.39632%0.318SS..Hα-helixtrans-61.8-43.8167.5-83.9-72.4000112E354 Y355 K360 I361 T362E354-N358 WeakPolarHBondContact O-CB 3.44Å; E354-N358 PolarHBondContact O-N 3.02Å; E354-N358 PolarHBondContact O-ND2 2.91Å; Y355-N358 PolarHBondContact O-N 3.37Å; N358-K360 VanDerWaalsContact C-N 3.3Å; N358-K360 PolarHBondContact O-N 3.37Å; N358-I361 PolarHBondContact O-N 3.39Å; N358-I361 VanDerWaalsContact O-N 3.14Å; N358-T362 PolarHBondContact O-N 2.95Å; N358-T362 PolarHBondContact O-OG1 3.19Å
359L95.4Very high95.6Very high15 Ų1571.7 Ų71.78%0.07934%0.338CS..Hα-helixtrans-60.3-35.3176.1-81.5176.7000113.1Y355 V356 T362 C363 R399 L400 I403Y355-L359 HydrophobicContact CD1-CD1 3.98Å; Y355-L359 HydrophobicContact CE1-CD1 3.41Å; Y355-L359 VanDerWaalsContact CE1-CD1 3.41Å; Y355-L359 HydrophobicContact CE1-CG 4.26Å; Y355-L359 HydrophobicContact CE2-CD1 4.46Å; Y355-L359 WeakPolarHBondContact O-CG 3.43Å; Y355-L359 PolarHBondContact O-N 2.89Å; V356-L359 PolarHBondContact O-N 2.97Å; L359-T362 PolarHBondContact O-OG1 3Å; L359-C363 WeakPolarHBondContact O-CB 3.45Å; L359-C363 PolarHBondContact O-N 3.04Å; L359-R399 HydrophobicContact CD1-CB 4.43Å; L359-R399 HydrophobicContact CD1-CG 3.94Å; L359-R399 HydrophobicContact CD2-CB 4.33Å; L359-R399 HydrophobicContact CD2-CG 4.42Å; L359-L400 HydrophobicContact CB-CD1 4.41Å; L359-I403 HydrophobicContact CD1-CD1 3.83Å
360K96Very high95.6Very high82 Ų8266.7 Ų66.736%0.35732%0.317SS..Hα-helixtrans-61.6-48.4172.8-70.5165.1-1641620110.8V356 D357 N358 C363 M364 L400 Y404V356-K360 WeakPolarHBondContact O-CG 3.33Å; V356-K360 PolarHBondContact O-N 3.39Å; D357-K360 PolarHBondContact O-N 3.04Å; D357-K360 IonicContact OD1-NZ 3.6Å; D357-K360 PolarHBondContact OD1-NZ 2.92Å; N358-K360 VanDerWaalsContact C-N 3.3Å; N358-K360 PolarHBondContact O-N 3.37Å; K360-C363 PolarHBondContact O-N 3.5Å; K360-M364 WeakPolarHBondContact O-CB 3.39Å; K360-M364 PolarHBondContact O-N 2.83Å; K360-L400 HydrophobicContact CB-CD1 4.24Å; K360-L400 HydrophobicContact CG-CD1 3.54Å; K360-Y404 PolarHBondContact NZ-OH 3.49Å
361I95.8Very high95.6Very high94 Ų9468.5 Ų68.548%0.48233%0.325SS..Hα-helixtrans-65.8-41.9-178.2-64.4166.3000111.1D357 N358 R365D357-I361 WeakPolarHBondContact O-CG1 3.45Å; D357-I361 PolarHBondContact O-N 3.38Å; N358-I361 PolarHBondContact O-N 3.39Å; N358-I361 VanDerWaalsContact O-N 3.14Å; I361-R365 WeakPolarHBondContact O-CB 3.43Å; I361-R365 PolarHBondContact O-N 3.23Å; I361-R365 VanDerWaalsContact O-N 3.1Å
362T96.4Very high95.5Very high51 Ų5172.7 Ų72.731%0.31335%0.348SS..Hα-helixtrans-71.3-40.1176.659.30000112.2N358 L359 M364 R365 E366 S396N358-T362 PolarHBondContact O-N 2.95Å; N358-T362 PolarHBondContact O-OG1 3.19Å; L359-T362 PolarHBondContact O-OG1 3Å; T362-M364 PolarHBondContact O-N 3.49Å; T362-R365 WeakPolarHBondContact O-CB 3.41Å; T362-R365 PolarHBondContact O-N 2.91Å; T362-R365 VanDerWaalsContact O-N 3.17Å; T362-E366 WeakPolarHBondContact O-CG 3.4Å; T362-E366 PolarHBondContact O-N 2.93Å; T362-S396 WeakPolarHBondContact CB-OG 2.95Å; T362-S396 WeakPolarHBondContact OG1-CB 3.46Å; T362-S396 PolarHBondContact OG1-OG 2.81Å
363C97.4Very high95.4Very high12 Ų1276.3 Ų76.38%0.08136%0.363CS..Hα-helixtrans-59.1-46.9173.4171.30000112.1L359 K360 R365 E366 Q367 C397L359-C363 WeakPolarHBondContact O-CB 3.45Å; L359-C363 PolarHBondContact O-N 3.04Å; K360-C363 PolarHBondContact O-N 3.5Å; C363-R365 VanDerWaalsContact C-N 3.27Å; C363-R365 PolarHBondContact O-N 3.43Å; C363-E366 WeakPolarHBondContact O-CB 3.26Å; C363-E366 PolarHBondContact O-N 2.79Å; C363-E366 VanDerWaalsContact O-N 3.16Å; C363-Q367 WeakPolarHBondContact O-CG 3.38Å; C363-Q367 PolarHBondContact O-N 2.94Å; C363-C397 WeakPolarHBondContact CA-SG 3.4Å; C363-C397 HydrophobicContact CB-CB 3.99Å; C363-C397 WeakPolarHBondContact CB-SG 3.29Å; C363-C397 PolarHBondContact O-SG 3.37Å; C363-C397 VanDerWaalsContact O-SG 3.4Å; C363-C397 WeakPolarHBondContact SG-CA 3.32Å; C363-C397 WeakPolarHBondContact SG-CB 3.35Å; C363-C397 CovalentContact SG-SG 2.04Å; C363-C397 PolarHBondContact SG-SG 2.78Å
364M96.8Very high95.4Very high106 Ų10672.1 Ų72.152%0.52235%0.345SS..Hα-helixtrans-59.8-38.2175.8-175.3-177.76900111.7K360 T362 N368K360-M364 WeakPolarHBondContact O-CB 3.39Å; K360-M364 PolarHBondContact O-N 2.83Å; T362-M364 PolarHBondContact O-N 3.49Å; M364-N368 WeakPolarHBondContact O-CB 3.09Å; M364-N368 PolarHBondContact O-N 3.03Å; M364-N368 PolarHBondContact O-ND2 2.76Å
365R97.1Very high95.3Very high161 Ų16176 Ų7661%0.60836%0.356SS*.Hα-helixtrans-66.7-42.4174.3-177.3178.4-73.2170.3-3.1112.3I361 T362 C363 Q369I361-R365 WeakPolarHBondContact O-CB 3.43Å; I361-R365 PolarHBondContact O-N 3.23Å; I361-R365 VanDerWaalsContact O-N 3.1Å; T362-R365 WeakPolarHBondContact O-CB 3.41Å; T362-R365 PolarHBondContact O-N 2.91Å; T362-R365 VanDerWaalsContact O-N 3.17Å; C363-R365 VanDerWaalsContact C-N 3.27Å; C363-R365 PolarHBondContact O-N 3.43Å; R365-Q369 WeakPolarHBondContact O-CB 3.46Å; R365-Q369 VanDerWaalsContact O-CG 3.29Å; R365-Q369 WeakPolarHBondContact O-CG 3.49Å; R365-Q369 PolarHBondContact O-N 2.89Å
366E96.7Very high95.2Very high31 Ų3179.3 Ų79.315%0.14537%0.368CS..Hα-helixtrans-62-44.1175.4-71171.5-175.600111.5T362 C363 Q369 K370 L394 P395 S396 C397T362-E366 WeakPolarHBondContact O-CG 3.4Å; T362-E366 PolarHBondContact O-N 2.93Å; C363-E366 WeakPolarHBondContact O-CB 3.26Å; C363-E366 PolarHBondContact O-N 2.79Å; C363-E366 VanDerWaalsContact O-N 3.16Å; E366-Q369 PolarHBondContact O-N 3.33Å; E366-K370 WeakPolarHBondContact O-CB 3.5Å; E366-K370 PolarHBondContact O-N 3.37Å; E366-L394 HydrophobicContact CB-CD2 3.68Å; E366-L394 VanDerWaalsContact OE2-CA 3.23Å; E366-L394 WeakPolarHBondContact OE2-CA 3.35Å; E366-P395 WeakPolarHBondContact OE1-CD 3.24Å; E366-P395 WeakPolarHBondContact OE1-CG 3.38Å; E366-P395 WeakPolarHBondContact OE2-CD 3.42Å; E366-S396 VanDerWaalsContact CD-CB 3.49Å; E366-S396 WeakPolarHBondContact OE1-CB 3.28Å; E366-S396 PolarHBondContact OE1-N 2.58Å; E366-S396 PolarHBondContact OE1-OG 2.84Å; E366-S396 WeakPolarHBondContact OE2-CB 3.3Å; E366-S396 PolarHBondContact OE2-N 3.38Å; E366-C397 PolarHBondContact OE2-N 3.41Å
367Q95.8Very high95.1Very high92 Ų9278.7 Ų78.743%0.4336%0.364SS..Hα-helixtrans-61-52.6175-73.5176-9.500111.5C363 Q369 K370 E371 L394C363-Q367 WeakPolarHBondContact O-CG 3.38Å; C363-Q367 PolarHBondContact O-N 2.94Å; Q367-Q369 VanDerWaalsContact C-N 3.25Å; Q367-Q369 PolarHBondContact O-N 3.4Å; Q367-K370 WeakPolarHBondContact O-CA 3.49Å; Q367-K370 WeakPolarHBondContact O-CB 3.36Å; Q367-K370 PolarHBondContact O-N 3.36Å; Q367-E371 PolarHBondContact O-N 3.3Å; Q367-L394 HydrophobicContact CG-CD1 4.42Å
368N95.6Very high95Very high79 Ų7984.3 Ų84.342%0.42238%0.381SS..Hα-helixtrans-59-36.1178.6-72.8-14.2000112.3M364 N372M364-N368 WeakPolarHBondContact O-CB 3.09Å; M364-N368 PolarHBondContact O-N 3.03Å; M364-N368 PolarHBondContact O-ND2 2.76Å; N368-N372 WeakPolarHBondContact O-CB 3.43Å; N368-N372 PolarHBondContact O-N 3.03Å; N368-N372 VanDerWaalsContact O-N 3.1Å; N368-N372 PolarHBondContact O-ND2 3.11Å
369Q93.9Very high94.9Very high109 Ų10984.7 Ų84.751%0.50939%0.386SS..Hα-helixtrans-64.6-47.2172.2-75.5175.74.100111.5R365 E366 Q367 E371 N372 F373R365-Q369 WeakPolarHBondContact O-CB 3.46Å; R365-Q369 VanDerWaalsContact O-CG 3.29Å; R365-Q369 WeakPolarHBondContact O-CG 3.49Å; R365-Q369 PolarHBondContact O-N 2.89Å; E366-Q369 PolarHBondContact O-N 3.33Å; Q367-Q369 VanDerWaalsContact C-N 3.25Å; Q367-Q369 PolarHBondContact O-N 3.4Å; Q369-E371 PolarHBondContact O-N 3.32Å; Q369-N372 PolarHBondContact O-N 3.4Å; Q369-F373 VanDerWaalsContact O-CD2 3.24Å; Q369-F373 WeakPolarHBondContact O-CD2 3.12Å; Q369-F373 PolarHBondContact O-N 3.29Å
370K95.4Very high94.7Very high44 Ų4490.5 Ų90.519%0.19141%0.413CS..Hα-helixtrans-60.9-43.2178.7-174.7165.2-173.7158.70112.5E366 Q367 F373 L374 A389 E390 L392 L394E366-K370 WeakPolarHBondContact O-CB 3.5Å; E366-K370 PolarHBondContact O-N 3.37Å; Q367-K370 WeakPolarHBondContact O-CA 3.49Å; Q367-K370 WeakPolarHBondContact O-CB 3.36Å; Q367-K370 PolarHBondContact O-N 3.36Å; K370-F373 PolarHBondContact O-N 2.82Å; K370-L374 HydrophobicContact CG-CD1 4.17Å; K370-L374 WeakPolarHBondContact O-CG 3.32Å; K370-L374 PolarHBondContact O-N 3Å; K370-A389 VanDerWaalsContact CE-O 3.23Å; K370-A389 WeakPolarHBondContact CE-O 3.45Å; K370-E390 VanDerWaalsContact CE-O 3.3Å; K370-E390 WeakPolarHBondContact CE-O 3.49Å; K370-E390 PolarHBondContact NZ-O 3.44Å; K370-L392 HydrophobicContact CB-CD1 4.25Å; K370-L392 HydrophobicContact CD-CB 4.08Å; K370-L392 HydrophobicContact CG-CB 4.21Å; K370-L392 HydrophobicContact CG-CD1 4.21Å; K370-L392 PolarHBondContact NZ-O 3.48Å; K370-L394 HydrophobicContact CB-CD2 4.21Å; K370-L394 HydrophobicContact CD-CD1 4.11Å; K370-L394 HydrophobicContact CD-CD2 3.92Å; K370-L394 HydrophobicContact CD-CG 4.17Å
371E93.8Very high94.4Very high132 Ų13289.5 Ų89.562%0.61743%0.426SS*.Hα-helixtrans-63.4-41.6175-68.3-161.8151.400112.5Q367 Q369 F373 L374 W375Q367-E371 PolarHBondContact O-N 3.3Å; Q369-E371 PolarHBondContact O-N 3.32Å; E371-F373 VanDerWaalsContact C-N 3.33Å; E371-F373 PolarHBondContact O-N 2.98Å; E371-L374 PolarHBondContact O-N 2.96Å; E371-W375 WeakPolarHBondContact O-CB 3.3Å; E371-W375 PolarHBondContact O-N 3.26Å
372N94.1Very high94.2Very high89 Ų8988.6 Ų88.648%0.47642%0.421SS..Hα-helixtrans-61.4-39.2174.4-89.2-85.9000112.4N368 Q369 R376N368-N372 WeakPolarHBondContact O-CB 3.43Å; N368-N372 PolarHBondContact O-N 3.03Å; N368-N372 VanDerWaalsContact O-N 3.1Å; N368-N372 PolarHBondContact O-ND2 3.11Å; Q369-N372 PolarHBondContact O-N 3.4Å; N372-R376 VanDerWaalsContact O-CG 3.26Å; N372-R376 WeakPolarHBondContact O-CG 3.28Å; N372-R376 PolarHBondContact O-N 3.33Å; N372-R376 VanDerWaalsContact O-N 3.08Å
373F93.1Very high94Very high96 Ų9692.7 Ų92.742%0.42144%0.437SS..Hα-helixtrans-67.7-41.6173.5-82.2-69.9000112.5Q369 K370 E371 R376 A377 A389 L392Q369-F373 VanDerWaalsContact O-CD2 3.24Å; Q369-F373 WeakPolarHBondContact O-CD2 3.12Å; Q369-F373 PolarHBondContact O-N 3.29Å; K370-F373 PolarHBondContact O-N 2.82Å; E371-F373 VanDerWaalsContact C-N 3.33Å; E371-F373 PolarHBondContact O-N 2.98Å; F373-R376 PolarHBondContact O-N 3.13Å; F373-A377 WeakPolarHBondContact O-CB 3.43Å; F373-A377 PolarHBondContact O-N 2.94Å; F373-A389 HydrophobicContact CB-CB 3.79Å; F373-L392 HydrophobicContact CB-CD1 3.88Å; F373-L392 HydrophobicContact CD2-CD1 3.57Å; F373-L392 HydrophobicContact CE2-CD1 4.39Å; F373-L392 HydrophobicContact CG-CD1 3.94Å
374L94.9Very high93.8Very high29 Ų2994.5 Ų94.515%0.15245%0.453CS..Hα-helixtrans-63.4-41175.7-73.2167.3000112.1K370 E371 A377 R378 A389 E390K370-L374 HydrophobicContact CG-CD1 4.17Å; K370-L374 WeakPolarHBondContact O-CG 3.32Å; K370-L374 PolarHBondContact O-N 3Å; E371-L374 PolarHBondContact O-N 2.96Å; L374-A377 PolarHBondContact O-N 2.98Å; L374-R378 WeakPolarHBondContact O-CB 3.47Å; L374-R378 VanDerWaalsContact O-CG 3.26Å; L374-R378 WeakPolarHBondContact O-CG 3.32Å; L374-R378 PolarHBondContact O-N 3.29Å; L374-A389 HydrophobicContact CD2-CB 3.73Å; L374-A389 HydrophobicContact CG-CB 3.95Å; L374-E390 HydrophobicContact CD2-CG 3.69Å
375W92.4Very high93.5Very high165 Ų16591.7 Ų91.763%0.62544%0.44SS*.Hα-helixtrans-62.6-47.9175.3-175.792.5000111.2E371 A377 R378 T379E371-W375 WeakPolarHBondContact O-CB 3.3Å; E371-W375 PolarHBondContact O-N 3.26Å; W375-A377 VanDerWaalsContact C-N 3.34Å; W375-A377 PolarHBondContact O-N 3.05Å; W375-R378 PolarHBondContact O-N 3.1Å; W375-T379 HydrophobicContact CD2-CG2 3.94Å; W375-T379 HydrophobicContact CE3-CG2 4.09Å; W375-T379 HydrophobicContact CH2-CG2 3.91Å; W375-T379 HydrophobicContact CZ2-CG2 3.74Å; W375-T379 HydrophobicContact CZ3-CG2 4.07Å; W375-T379 WeakPolarHBondContact O-CG2 3.28Å; W375-T379 PolarHBondContact O-N 2.96Å; W375-T379 PolarHBondContact O-OG1 3.2Å
376R92.6Very high93.4Very high132 Ų13286.4 Ų86.450%0.49842%0.423SS..Hα-helixtrans-57.8-45.7176.3-72.9172.4-174.3-167.70.8111.7N372 F373 R378 T379 Q380 L385N372-R376 VanDerWaalsContact O-CG 3.26Å; N372-R376 WeakPolarHBondContact O-CG 3.28Å; N372-R376 PolarHBondContact O-N 3.33Å; N372-R376 VanDerWaalsContact O-N 3.08Å; F373-R376 PolarHBondContact O-N 3.13Å; R376-R378 PolarHBondContact O-N 2.69Å; R376-T379 WeakPolarHBondContact CA-OG1 3.49Å; R376-T379 PolarHBondContact O-N 3.32Å; R376-T379 PolarHBondContact O-OG1 2.85Å; R376-Q380 WeakPolarHBondContact O-CB 3.23Å; R376-Q380 WeakPolarHBondContact O-CG 3.49Å; R376-Q380 PolarHBondContact O-N 3.41Å; R376-L385 HydrophobicContact CB-CD2 4.46Å
377A94.1Very high93.3Very high0 Ų093.2 Ų93.20%045%0.448CS..Hα-helixtrans-60-44.6176.400000112.6F373 L374 W375 Q380 G381 L385 L386F373-A377 WeakPolarHBondContact O-CB 3.43Å; F373-A377 PolarHBondContact O-N 2.94Å; L374-A377 PolarHBondContact O-N 2.98Å; W375-A377 VanDerWaalsContact C-N 3.34Å; W375-A377 PolarHBondContact O-N 3.05Å; A377-Q380 PolarHBondContact O-N 3.42Å; A377-G381 PolarHBondContact O-N 3.05Å; A377-L385 HydrophobicContact CB-CB 3.99Å; A377-L385 HydrophobicContact CB-CD2 4Å; A377-L385 HydrophobicContact CB-CG 4.27Å; A377-L386 HydrophobicContact CB-CB 3.89Å
378R93.1Very high93.2Very high177 Ų17795.8 Ų95.867%0.66846%0.457SS*.Hα-helixtrans-63.8-39.4176.3-71.1169.2-176.4175.72.6112.6L374 W375 R376 L386L374-R378 WeakPolarHBondContact O-CB 3.47Å; L374-R378 VanDerWaalsContact O-CG 3.26Å; L374-R378 WeakPolarHBondContact O-CG 3.32Å; L374-R378 PolarHBondContact O-N 3.29Å; W375-R378 PolarHBondContact O-N 3.1Å; R376-R378 PolarHBondContact O-N 2.69Å; R378-L386 HydrophobicContact CG-CD1 4.42Å
379T92.6Very high93.1Very high82 Ų8292.1 Ų92.150%0.50344%0.438SS..Hα-helixtrans-73.1-28.4177.955.20000114.2W375 R376W375-T379 HydrophobicContact CD2-CG2 3.94Å; W375-T379 HydrophobicContact CE3-CG2 4.09Å; W375-T379 HydrophobicContact CH2-CG2 3.91Å; W375-T379 HydrophobicContact CZ2-CG2 3.74Å; W375-T379 HydrophobicContact CZ3-CG2 4.07Å; W375-T379 WeakPolarHBondContact O-CG2 3.28Å; W375-T379 PolarHBondContact O-N 2.96Å; W375-T379 PolarHBondContact O-OG1 3.2Å; R376-T379 WeakPolarHBondContact CA-OG1 3.49Å; R376-T379 PolarHBondContact O-N 3.32Å; R376-T379 PolarHBondContact O-OG1 2.85Å
380Q90.6Very high93.1Very high138 Ų13892 Ų9265%0.64544%0.437SS*.Hα-helixtrans-89.4-16.4177.7-69.8-179.7-20.700113.2R376 A377 D382R376-Q380 WeakPolarHBondContact O-CB 3.23Å; R376-Q380 WeakPolarHBondContact O-CG 3.49Å; R376-Q380 PolarHBondContact O-N 3.41Å; A377-Q380 PolarHBondContact O-N 3.42Å; Q380-D382 PolarHBondContact O-N 2.63Å
381G90.4Very high93.1Very high61 Ų6193.6 Ų93.663%0.62946%0.459SS*.THydrogen-bonded Turntrans75.12.1-179.100000115A377 Q383A377-G381 PolarHBondContact O-N 3.05Å; G381-Q383 PolarHBondContact O-N 3.08Å
382D91.1Very high93Very high74 Ų7490 Ų9040%0.39644%0.444SS..  trans-80.6111.3-177-179.914.7000112.2Q380 A384 L385 L386Q380-D382 PolarHBondContact O-N 2.63Å; D382-A384 VanDerWaalsContact C-N 3.25Å; D382-A384 PolarHBondContact O-N 3.45Å; D382-A384 VanDerWaalsContact OD1-CB 3.32Å; D382-A384 WeakPolarHBondContact OD1-CB 3.4Å; D382-A384 PolarHBondContact OD1-N 2.9Å; D382-L385 HydrophobicContact CB-CB 4.11Å; D382-L385 PolarHBondContact O-N 3.25Å; D382-L385 PolarHBondContact OD2-N 3.22Å; D382-L386 PolarHBondContact O-N 2.86Å
383Q92.5Very high93Very high138 Ų13890.6 Ų90.665%0.64545%0.452SS*.Hα-helixtrans-63.2-28175.3-64.1-170.94.300113.3G381 L386 R387G381-Q383 PolarHBondContact O-N 3.08Å; Q383-L386 PolarHBondContact O-N 2.88Å; Q383-R387 WeakPolarHBondContact O-CG 3.23Å; Q383-R387 PolarHBondContact O-N 2.63Å
384A93.2Very high93.2Very high49 Ų4987.8 Ų87.841%0.40544%0.442SS..Hα-helixtrans-72.1-37.9177.500000111.3D382 K388D382-A384 VanDerWaalsContact C-N 3.25Å; D382-A384 PolarHBondContact O-N 3.45Å; D382-A384 VanDerWaalsContact OD1-CB 3.32Å; D382-A384 WeakPolarHBondContact OD1-CB 3.4Å; D382-A384 PolarHBondContact OD1-N 2.9Å; A384-K388 WeakPolarHBondContact O-CD 3.27Å; A384-K388 VanDerWaalsContact O-CG 3.28Å; A384-K388 WeakPolarHBondContact O-CG 3.24Å; A384-K388 PolarHBondContact O-N 3.05Å
385L91.5Very high93.2Very high48 Ų4890.2 Ų90.225%0.25146%0.459SS..Hα-helixtrans-66.8-39.7170.5-150.582.6000111.6R376 A377 D382 K388 A389R376-L385 HydrophobicContact CB-CD2 4.46Å; A377-L385 HydrophobicContact CB-CB 3.99Å; A377-L385 HydrophobicContact CB-CD2 4Å; A377-L385 HydrophobicContact CB-CG 4.27Å; D382-L385 HydrophobicContact CB-CB 4.11Å; D382-L385 PolarHBondContact O-N 3.25Å; D382-L385 PolarHBondContact OD2-N 3.22Å; L385-K388 PolarHBondContact O-N 3.21Å; L385-A389 WeakPolarHBondContact O-CB 3.34Å; L385-A389 PolarHBondContact O-N 2.87Å
386L94.6Very high93.3Very high50 Ų5083.2 Ų83.226%0.26244%0.435SS..Hα-helixtrans-61.9-50.2179.9-170.3145.5000111.7A377 R378 D382 Q383 K388 A389 E390A377-L386 HydrophobicContact CB-CB 3.89Å; R378-L386 HydrophobicContact CG-CD1 4.42Å; D382-L386 PolarHBondContact O-N 2.86Å; Q383-L386 PolarHBondContact O-N 2.88Å; L386-K388 VanDerWaalsContact C-N 3.3Å; L386-K388 PolarHBondContact O-N 3.14Å; L386-A389 WeakPolarHBondContact O-CB 3.38Å; L386-A389 PolarHBondContact O-N 2.73Å; L386-A389 VanDerWaalsContact O-N 3.11Å; L386-E390 VanDerWaalsContact CD2-CD 3.45Å; L386-E390 HydrophobicContact CD2-CG 4.23Å; L386-E390 WeakPolarHBondContact CD2-OE1 3.48Å; L386-E390 WeakPolarHBondContact CD2-OE2 3.1Å; L386-E390 WeakPolarHBondContact O-CG 3.47Å; L386-E390 PolarHBondContact O-N 3.04Å
387R94.9Very high93.5Very high174 Ų17477.7 Ų77.766%0.65742%0.417SS*.Hα-helixtrans-59.8-38.3175.8-71.2178.7-175.7176.53.9112.6Q383 A391Q383-R387 WeakPolarHBondContact O-CG 3.23Å; Q383-R387 PolarHBondContact O-N 2.63Å; R387-A391 VanDerWaalsContact O-CB 3.23Å; R387-A391 WeakPolarHBondContact O-CB 3.37Å; R387-A391 PolarHBondContact O-N 3.07Å
388K93.2Very high93.6Very high145 Ų14584 Ų8463%0.6345%0.445SS*.Hα-helixtrans-64.3-42.1174.8-74.1170.7-177.8175.40111.7A384 L385 L386 A391 L392A384-K388 WeakPolarHBondContact O-CD 3.27Å; A384-K388 VanDerWaalsContact O-CG 3.28Å; A384-K388 WeakPolarHBondContact O-CG 3.24Å; A384-K388 PolarHBondContact O-N 3.05Å; L385-K388 PolarHBondContact O-N 3.21Å; L386-K388 VanDerWaalsContact C-N 3.3Å; L386-K388 PolarHBondContact O-N 3.14Å; K388-A391 PolarHBondContact O-N 3.14Å; K388-L392 PolarHBondContact O-N 2.75Å
389A94.1Very high93.7Very high2 Ų279.8 Ų79.82%0.01743%0.429CS..Hα-helixtrans-66.4-41.9177.800000112K370 F373 L374 L385 L386 L392K370-A389 VanDerWaalsContact CE-O 3.23Å; K370-A389 WeakPolarHBondContact CE-O 3.45Å; F373-A389 HydrophobicContact CB-CB 3.79Å; L374-A389 HydrophobicContact CD2-CB 3.73Å; L374-A389 HydrophobicContact CG-CB 3.95Å; L385-A389 WeakPolarHBondContact O-CB 3.34Å; L385-A389 PolarHBondContact O-N 2.87Å; L386-A389 WeakPolarHBondContact O-CB 3.38Å; L386-A389 PolarHBondContact O-N 2.73Å; L386-A389 VanDerWaalsContact O-N 3.11Å; A389-L392 WeakPolarHBondContact O-CB 3.48Å; A389-L392 PolarHBondContact O-N 3.48Å
390E93.4Very high93.8Very high106 Ų10677.7 Ų77.750%0.49541%0.414SS..Hα-helixtrans-63.8-39.1174-70178.1154.200112.2K370 L374 L386 L392K370-E390 VanDerWaalsContact CE-O 3.3Å; K370-E390 WeakPolarHBondContact CE-O 3.49Å; K370-E390 PolarHBondContact NZ-O 3.44Å; L374-E390 HydrophobicContact CD2-CG 3.69Å; L386-E390 VanDerWaalsContact CD2-CD 3.45Å; L386-E390 HydrophobicContact CD2-CG 4.23Å; L386-E390 WeakPolarHBondContact CD2-OE1 3.48Å; L386-E390 WeakPolarHBondContact CD2-OE2 3.1Å; L386-E390 WeakPolarHBondContact O-CG 3.47Å; L386-E390 PolarHBondContact O-N 3.04Å; E390-L392 VanDerWaalsContact C-N 3.25Å; E390-L392 PolarHBondContact O-N 2.85Å
391A93.9Very high93.9Very high79 Ų7977.8 Ų77.865%0.65341%0.414SS*.THydrogen-bonded Turntrans-74.7-3.6177.700000114.8R387 K388 P393R387-A391 VanDerWaalsContact O-CB 3.23Å; R387-A391 WeakPolarHBondContact O-CB 3.37Å; R387-A391 PolarHBondContact O-N 3.07Å; K388-A391 PolarHBondContact O-N 3.14Å; A391-P393 WeakPolarHBondContact O-CD 3.14Å
392L93.2Very high94.1Very high57 Ų5780.4 Ų80.430%0.29841%0.41SS..  trans-58.2121.8178.1-78170.3000111K370 F373 K388 A389 E390K370-L392 HydrophobicContact CB-CD1 4.25Å; K370-L392 HydrophobicContact CD-CB 4.08Å; K370-L392 HydrophobicContact CG-CB 4.21Å; K370-L392 HydrophobicContact CG-CD1 4.21Å; K370-L392 PolarHBondContact NZ-O 3.48Å; F373-L392 HydrophobicContact CB-CD1 3.88Å; F373-L392 HydrophobicContact CD2-CD1 3.57Å; F373-L392 HydrophobicContact CE2-CD1 4.39Å; F373-L392 HydrophobicContact CG-CD1 3.94Å; K388-L392 PolarHBondContact O-N 2.75Å; A389-L392 WeakPolarHBondContact O-CB 3.48Å; A389-L392 PolarHBondContact O-N 3.48Å; E390-L392 VanDerWaalsContact C-N 3.25Å; E390-L392 PolarHBondContact O-N 2.85Å
393P94.3Very high94.1Very high100 Ų10078.8 Ų78.865%0.64940%0.401SS*.  trans-73.8143.3177.231.1-34.3000110.6A391 P395A391-P393 WeakPolarHBondContact O-CD 3.14Å; P393-P395 VanDerWaalsContact C-CD 3.48Å; P393-P395 VanDerWaalsContact O-CD 3.32Å; P393-P395 WeakPolarHBondContact O-CD 3.08Å
394L95.7Very high94Very high37 Ų3779.1 Ų79.119%0.19440%0.397CS..  trans-11772.8177.2-55.5174.3000108.9E366 Q367 K370 S396 C397 K398E366-L394 HydrophobicContact CB-CD2 3.68Å; E366-L394 VanDerWaalsContact OE2-CA 3.23Å; E366-L394 WeakPolarHBondContact OE2-CA 3.35Å; Q367-L394 HydrophobicContact CG-CD1 4.42Å; K370-L394 HydrophobicContact CB-CD2 4.21Å; K370-L394 HydrophobicContact CD-CD1 4.11Å; K370-L394 HydrophobicContact CD-CD2 3.92Å; K370-L394 HydrophobicContact CD-CG 4.17Å; L394-S396 PolarHBondContact O-N 3.24Å; L394-C397 HydrophobicContact CB-CB 3.81Å; L394-C397 PolarHBondContact O-N 2.65Å; L394-K398 WeakPolarHBondContact O-CG 3.46Å; L394-K398 PolarHBondContact O-N 3.36Å
395P96.1Very high93.1Very high80 Ų8082.3 Ų82.352%0.51944%0.436SS..Hα-helixtrans-64.4-38-171.425.7-33.5000112.9E366 P393 K398 R399E366-P395 WeakPolarHBondContact OE1-CD 3.24Å; E366-P395 WeakPolarHBondContact OE1-CG 3.38Å; E366-P395 WeakPolarHBondContact OE2-CD 3.42Å; P393-P395 VanDerWaalsContact C-CD 3.48Å; P393-P395 VanDerWaalsContact O-CD 3.32Å; P393-P395 WeakPolarHBondContact O-CD 3.08Å; P395-K398 PolarHBondContact O-N 2.83Å; P395-R399 PolarHBondContact O-N 3.14Å
396S95.2Very high93.2Very high18 Ų1884.1 Ų84.113%0.12645%0.445CS..Hα-helixtrans-66.7-41.2175.9-54.60000111.3T362 E366 L394 R399 L400T362-S396 WeakPolarHBondContact CB-OG 2.95Å; T362-S396 WeakPolarHBondContact OG1-CB 3.46Å; T362-S396 PolarHBondContact OG1-OG 2.81Å; E366-S396 VanDerWaalsContact CD-CB 3.49Å; E366-S396 WeakPolarHBondContact OE1-CB 3.28Å; E366-S396 PolarHBondContact OE1-N 2.58Å; E366-S396 PolarHBondContact OE1-OG 2.84Å; E366-S396 WeakPolarHBondContact OE2-CB 3.3Å; E366-S396 PolarHBondContact OE2-N 3.38Å; L394-S396 PolarHBondContact O-N 3.24Å; S396-R399 PolarHBondContact O-N 2.89Å; S396-L400 WeakPolarHBondContact O-CB 3.41Å; S396-L400 PolarHBondContact O-N 3.45Å
397C95.8Very high93.1Very high17 Ų1785.8 Ų85.812%0.11545%0.454CS..Hα-helixtrans-65.1-39.6177-610000112.7C363 E366 L394 L400 Q401C363-C397 WeakPolarHBondContact CA-SG 3.4Å; C363-C397 HydrophobicContact CB-CB 3.99Å; C363-C397 WeakPolarHBondContact CB-SG 3.29Å; C363-C397 PolarHBondContact O-SG 3.37Å; C363-C397 VanDerWaalsContact O-SG 3.4Å; C363-C397 WeakPolarHBondContact SG-CA 3.32Å; C363-C397 WeakPolarHBondContact SG-CB 3.35Å; C363-C397 CovalentContact SG-SG 2.04Å; C363-C397 PolarHBondContact SG-SG 2.78Å; E366-C397 PolarHBondContact OE2-N 3.41Å; L394-C397 HydrophobicContact CB-CB 3.81Å; L394-C397 PolarHBondContact O-N 2.65Å; C397-L400 PolarHBondContact O-N 2.79Å; C397-Q401 WeakPolarHBondContact O-CB 3.32Å; C397-Q401 PolarHBondContact O-N 3.4Å
398K96.1Very high93Very high133 Ų13380.9 Ų80.958%0.57844%0.443SS*.Hα-helixtrans-61.4-48.7173.2-76.3-174.8173.3-168.10111.3L394 P395 L400 Q401 E402L394-K398 WeakPolarHBondContact O-CG 3.46Å; L394-K398 PolarHBondContact O-N 3.36Å; P395-K398 PolarHBondContact O-N 2.83Å; K398-L400 VanDerWaalsContact C-N 3.27Å; K398-L400 PolarHBondContact O-N 3.06Å; K398-Q401 WeakPolarHBondContact O-CB 3.39Å; K398-Q401 PolarHBondContact O-N 3.45Å; K398-Q401 VanDerWaalsContact O-N 3.08Å; K398-E402 WeakPolarHBondContact O-CG 3.31Å; K398-E402 PolarHBondContact O-N 3.06Å
399R94.8Very high93Very high88 Ų8877.2 Ų77.233%0.33243%0.432SS..Hα-helixtrans-64.2-32.1179.2-173.154176.9169.35.5112.7L359 P395 S396 E402 I403L359-R399 HydrophobicContact CD1-CB 4.43Å; L359-R399 HydrophobicContact CD1-CG 3.94Å; L359-R399 HydrophobicContact CD2-CB 4.33Å; L359-R399 HydrophobicContact CD2-CG 4.42Å; P395-R399 PolarHBondContact O-N 3.14Å; S396-R399 PolarHBondContact O-N 2.89Å; R399-E402 WeakPolarHBondContact CD-OE2 3.3Å; R399-E402 IonicContact CZ-OE2 3.83Å; R399-E402 IonicContact NE-OE2 3.76Å; R399-E402 IonicContact NH1-OE2 2.73Å; R399-E402 PolarHBondContact NH1-OE2 3.15Å; R399-I403 HydrophobicContact CG-CD1 4.4Å; R399-I403 VanDerWaalsContact O-CD1 3.3Å; R399-I403 WeakPolarHBondContact O-CD1 3.22Å; R399-I403 VanDerWaalsContact O-CG1 3.28Å; R399-I403 WeakPolarHBondContact O-CG1 3.43Å
400L94.5Very high92.9Very high37 Ų3781.9 Ų81.919%0.19446%0.458CS..Hα-helixtrans-69.1-40.5172.1-173151.4000111.6L359 K360 S396 C397 K398 E402 I403 Y404L359-L400 HydrophobicContact CB-CD1 4.41Å; K360-L400 HydrophobicContact CB-CD1 4.24Å; K360-L400 HydrophobicContact CG-CD1 3.54Å; S396-L400 WeakPolarHBondContact O-CB 3.41Å; S396-L400 PolarHBondContact O-N 3.45Å; C397-L400 PolarHBondContact O-N 2.79Å; K398-L400 VanDerWaalsContact C-N 3.27Å; K398-L400 PolarHBondContact O-N 3.06Å; L400-E402 VanDerWaalsContact C-N 3.34Å; L400-E402 PolarHBondContact O-N 3.3Å; L400-I403 PolarHBondContact O-N 3.04Å; L400-I403 VanDerWaalsContact O-N 3.13Å; L400-Y404 HydrophobicContact CD2-CD2 3.83Å; L400-Y404 HydrophobicContact CD2-CE2 4.35Å; L400-Y404 HydrophobicContact CG-CD2 4Å; L400-Y404 HydrophobicContact CG-CE2 4.23Å; L400-Y404 WeakPolarHBondContact O-CD2 3.28Å; L400-Y404 PolarHBondContact O-N 3.06Å
401Q94.5Very high92.9Very high140 Ų14080.3 Ų80.365%0.65446%0.456SS*.Hα-helixtrans-62.6-39.4174.8-171.3175.9-0.100111.8C397 K398 I403 Y404 G405C397-Q401 WeakPolarHBondContact O-CB 3.32Å; C397-Q401 PolarHBondContact O-N 3.4Å; K398-Q401 WeakPolarHBondContact O-CB 3.39Å; K398-Q401 PolarHBondContact O-N 3.45Å; K398-Q401 VanDerWaalsContact O-N 3.08Å; Q401-I403 PolarHBondContact O-N 3.37Å; Q401-I403 VanDerWaalsContact O-N 3.15Å; Q401-Y404 PolarHBondContact O-N 2.62Å; Q401-G405 PolarHBondContact O-N 3.11Å
402E93.7Very high92.8Very high116 Ų11680.4 Ų80.454%0.54244%0.442SS..Hα-helixtrans-63-12173.3-69.3164.7-158.100114.7K398 R399 L400K398-E402 WeakPolarHBondContact O-CG 3.31Å; K398-E402 PolarHBondContact O-N 3.06Å; R399-E402 WeakPolarHBondContact CD-OE2 3.3Å; R399-E402 IonicContact CZ-OE2 3.83Å; R399-E402 IonicContact NE-OE2 3.76Å; R399-E402 IonicContact NH1-OE2 2.73Å; R399-E402 PolarHBondContact NH1-OE2 3.15Å; L400-E402 VanDerWaalsContact C-N 3.34Å; L400-E402 PolarHBondContact O-N 3.3Å
403I91.1Very high92.8Very high41 Ų4182.2 Ų82.221%0.2145%0.453CS..Hα-helixtrans-104.7-20-178.8-66.6166.6000111.7L324 Y355 V356 L359 R399 L400 Q401L324-I403 HydrophobicContact CD1-CD1 4.42Å; L324-I403 HydrophobicContact CD1-CG2 4.33Å; L324-I403 HydrophobicContact CD2-CG1 4.22Å; L324-I403 HydrophobicContact CD2-CG2 4.26Å; Y355-I403 HydrophobicContact CE1-CD1 4.12Å; V356-I403 HydrophobicContact CG2-CD1 4.29Å; V356-I403 HydrophobicContact CG2-CG2 4.16Å; L359-I403 HydrophobicContact CD1-CD1 3.83Å; R399-I403 HydrophobicContact CG-CD1 4.4Å; R399-I403 VanDerWaalsContact O-CD1 3.3Å; R399-I403 WeakPolarHBondContact O-CD1 3.22Å; R399-I403 VanDerWaalsContact O-CG1 3.28Å; R399-I403 WeakPolarHBondContact O-CG1 3.43Å; L400-I403 PolarHBondContact O-N 3.04Å; L400-I403 VanDerWaalsContact O-N 3.13Å; Q401-I403 PolarHBondContact O-N 3.37Å; Q401-I403 VanDerWaalsContact O-N 3.15Å
404Y89.6Confident92.7Very high144 Ų14480.7 Ų80.757%0.56544%0.436SS*.Hα-helixtrans-123-5.8-172-78.3-71.4000114.9V356 K360 L400 Q401V356-Y404 HydrophobicContact CG1-CE2 3.76Å; V356-Y404 WeakPolarHBondContact CG1-OH 3.49Å; K360-Y404 PolarHBondContact NZ-OH 3.49Å; L400-Y404 HydrophobicContact CD2-CD2 3.83Å; L400-Y404 HydrophobicContact CD2-CE2 4.35Å; L400-Y404 HydrophobicContact CG-CD2 4Å; L400-Y404 HydrophobicContact CG-CE2 4.23Å; L400-Y404 WeakPolarHBondContact O-CD2 3.28Å; L400-Y404 PolarHBondContact O-N 3.06Å; Q401-Y404 PolarHBondContact O-N 2.62Å
405G75.2Confident92.4Very high117 Ų11784.6 Ų84.6100%1.20646%0.458SS*.  trans-128.10-179.100000113.4Q401Q401-G405 PolarHBondContact O-N 3.11Å

Retrieved 405 of 405 residues in 100.7 ms (Link to these results)

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