A0A087YMH9_POEFO Loading...

Ammonium transporter Rh type A

Functions as an ammonia transporter. May play a role in the elimination of ammonia in the gill.

AlphaFold DB , UniProt , Accession A0A087YMH9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 436 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
1M44.3Very low77.1Confident233 Ų233104.6 Ų104.6100%1.14853%0.531SS*.  0140.20-65.2-169.5-138.700107.5A3M1-A3 PolarHBondContact O-N 3.2Å
2P46.4Very low78.8Confident107 Ų107100.8 Ų100.870%0.69551%0.509SS*.  trans-59.9135177.425.7-30.8000108.6Y4P2-Y4 PolarHBondContact O-N 3.26Å
3A55.1Low80.3Confident59 Ų5997 Ų9749%0.48850%0.495SS..THydrogen-bonded Turntrans-61.8-3.9-173.300000114.6M1M1-A3 PolarHBondContact O-N 3.2Å
4Y60.9Low81.5Confident136 Ų13696.9 Ų96.953%0.53349%0.494SS..THydrogen-bonded Turntrans-134.456.6-176.5-59.1-76.5000111.5P2 T6 P400P2-Y4 PolarHBondContact O-N 3.26Å; Y4-T6 PolarHBondContact O-N 3.43Å; Y4-P400 HydrophobicContact CD1-CB 3.91Å; Y4-P400 HydrophobicContact CE1-CB 4.19Å; Y4-P400 HydrophobicContact CG-CB 4.1Å
5S81.4Confident82.6Confident53 Ų5393 Ų9337%0.37148%0.475SS..  trans-8198.3166.1-177.90000109.4N7 K11 G397S5-N7 VanDerWaalsContact C-N 3.26Å; S5-K11 PolarHBondContact O-NZ 2.85Å; S5-G397 WeakPolarHBondContact O-CA 3.43Å
6T88.9Confident83.6Confident33 Ų3388.8 Ų88.820%0.20246%0.458CS..  trans-84.21.2176.855.20000112.8Y4 M8 L409Y4-T6 PolarHBondContact O-N 3.43Å; T6-M8 WeakPolarHBondContact O-CG 3.33Å; T6-M8 PolarHBondContact O-N 2.87Å; T6-M8 VanDerWaalsContact O-N 3.13Å; T6-L409 HydrophobicContact CG2-CD1 3.99Å; T6-L409 HydrophobicContact CG2-CD2 3.96Å; T6-L409 HydrophobicContact CG2-CG 4.22Å
7N92.1Very high84.5Confident102 Ų10290.1 Ų90.155%0.54547%0.465SS..  trans-64.9114.7175.7-173.4-35.5000110.4S5 R9S5-N7 VanDerWaalsContact C-N 3.26Å; N7-R9 WeakPolarHBondContact OD1-CB 3.34Å; N7-R9 PolarHBondContact OD1-N 3.45Å
8M94.8Very high85.2Confident26 Ų2689.7 Ų89.713%0.12846%0.463CS..  trans-93.8-2.2-176.3-69.4-56.3164.800114.4T6 L10 K11 F12 P13 S144 V146 G397 Y410T6-M8 WeakPolarHBondContact O-CG 3.33Å; T6-M8 PolarHBondContact O-N 2.87Å; T6-M8 VanDerWaalsContact O-N 3.13Å; M8-L10 PolarHBondContact O-N 2.66Å; M8-K11 PolarHBondContact O-N 3.2Å; M8-K11 HydrophobicContact SD-CB 4.37Å; M8-F12 HydrophobicContact CB-CB 3.91Å; M8-F12 HydrophobicContact CG-CB 4.43Å; M8-F12 PolarHBondContact O-N 2.96Å; M8-F12 VanDerWaalsContact O-N 3.15Å; M8-F12 HydrophobicContact SD-CB 4.31Å; M8-P13 WeakPolarHBondContact O-CD 3.34Å; M8-S144 VanDerWaalsContact CE-CB 3.48Å; M8-V146 HydrophobicContact SD-CG2 3.9Å; M8-G397 WeakPolarHBondContact CE-O 3.25Å; M8-Y410 HydrophobicContact CE-CD1 4.2Å; M8-Y410 HydrophobicContact CE-CE1 3.46Å; M8-Y410 VanDerWaalsContact CE-CE1 3.46Å; M8-Y410 HydrophobicContact CG-CD1 3.92Å; M8-Y410 HydrophobicContact CG-CE1 4.1Å
9R95.3Very high85.9Confident211 Ų21185.8 Ų85.880%0.79644%0.444SS*.THydrogen-bonded Turntrans-52.5-31.9-170.5-174.4175.8-179.9179.91.8114.5N7N7-R9 WeakPolarHBondContact OD1-CB 3.34Å; N7-R9 PolarHBondContact OD1-N 3.45Å
10L94.8Very high86.6Confident121 Ų12185.1 Ų85.163%0.63444%0.438SS*.THydrogen-bonded Turntrans-109.4-46.8175.4-64.1178.9000112.5M8 F12 I14M8-L10 PolarHBondContact O-N 2.66Å; L10-F12 PolarHBondContact O-N 3.38Å; L10-I14 HydrophobicContact CB-CD1 4.09Å; L10-I14 VanDerWaalsContact O-CB 3.25Å; L10-I14 WeakPolarHBondContact O-CB 3.22Å; L10-I14 WeakPolarHBondContact O-CD1 3.37Å; L10-I14 WeakPolarHBondContact O-CG1 3.25Å; L10-I14 PolarHBondContact O-N 2.97Å; L10-I14 VanDerWaalsContact O-N 3.1Å
11K94.8Very high87.2Confident70 Ų7085.7 Ų85.730%0.30444%0.441SS..Hα-helixtrans-57.3-48.1-172.7-61.6178.6-176-179.70112.5S5 M8 L15 V146 F395S5-K11 PolarHBondContact O-NZ 2.85Å; M8-K11 PolarHBondContact O-N 3.2Å; M8-K11 HydrophobicContact SD-CB 4.37Å; K11-L15 WeakPolarHBondContact O-CB 3.44Å; K11-L15 PolarHBondContact O-N 3.27Å; K11-V146 HydrophobicContact CB-CG2 4.28Å; K11-F395 WeakPolarHBondContact CD-O 3.36Å; K11-F395 WeakPolarHBondContact CE-O 3.46Å; K11-F395 PolarHBondContact NZ-O 3.41Å
12F97Very high89.7Confident59 Ų5978.3 Ų78.326%0.25941%0.405SS..Hα-helixtrans-73-53.8-175.1171.5-105.4000112.4M8 L10 I14 L15 A16 L92 P145 V146 L149M8-F12 HydrophobicContact CB-CB 3.91Å; M8-F12 HydrophobicContact CG-CB 4.43Å; M8-F12 PolarHBondContact O-N 2.96Å; M8-F12 VanDerWaalsContact O-N 3.15Å; M8-F12 HydrophobicContact SD-CB 4.31Å; L10-F12 PolarHBondContact O-N 3.38Å; F12-I14 VanDerWaalsContact C-N 3.32Å; F12-I14 PolarHBondContact O-N 2.7Å; F12-L15 PolarHBondContact O-N 3.36Å; F12-A16 HydrophobicContact CE2-CB 4.43Å; F12-A16 HydrophobicContact CZ-CB 4.46Å; F12-A16 WeakPolarHBondContact O-CB 3.47Å; F12-A16 PolarHBondContact O-N 3.03Å; F12-L92 HydrophobicContact CE2-CD1 4.49Å; F12-L92 HydrophobicContact CE2-CD2 3.58Å; F12-L92 HydrophobicContact CZ-CD1 4.19Å; F12-L92 HydrophobicContact CZ-CD2 3.79Å; F12-P145 HydrophobicContact CD2-CB 3.85Å; F12-P145 HydrophobicContact CE2-CB 3.86Å; F12-V146 HydrophobicContact CB-CG2 3.94Å; F12-V146 HydrophobicContact CD2-CG2 4.32Å; F12-L149 HydrophobicContact CD2-CD1 4.31Å; F12-L149 HydrophobicContact CE2-CD1 3.91Å
13P98.1Very high92.2Very high51 Ų5173.2 Ų73.233%0.33137%0.372SS..Hα-helixtrans-60.3-39.6179.6-25.935.7000113.2M8 L17M8-P13 WeakPolarHBondContact O-CD 3.34Å; P13-L17 VanDerWaalsContact O-CB 3.26Å; P13-L17 WeakPolarHBondContact O-CB 3.46Å; P13-L17 WeakPolarHBondContact O-CG 3.47Å; P13-L17 PolarHBondContact O-N 3.25Å
14I97.6Very high94.3Very high95 Ų9574.9 Ų74.949%0.48737%0.372SS..Hα-helixtrans-61.5-50178.6-69.1170.4000110.2L10 F12 I18L10-I14 HydrophobicContact CB-CD1 4.09Å; L10-I14 VanDerWaalsContact O-CB 3.25Å; L10-I14 WeakPolarHBondContact O-CB 3.22Å; L10-I14 WeakPolarHBondContact O-CD1 3.37Å; L10-I14 WeakPolarHBondContact O-CG1 3.25Å; L10-I14 PolarHBondContact O-N 2.97Å; L10-I14 VanDerWaalsContact O-N 3.1Å; F12-I14 VanDerWaalsContact C-N 3.32Å; F12-I14 PolarHBondContact O-N 2.7Å; I14-I18 HydrophobicContact CG2-CD1 3.6Å; I14-I18 HydrophobicContact CG2-CG1 4.45Å; I14-I18 WeakPolarHBondContact O-CB 3.39Å; I14-I18 WeakPolarHBondContact O-CD1 3.41Å; I14-I18 WeakPolarHBondContact O-CG1 3.42Å; I14-I18 PolarHBondContact O-N 3.32Å
15L97.8Very high96.1Very high39 Ų3972.7 Ų72.720%0.20437%0.369CS..Hα-helixtrans-62.7-49.7179.4178.563000111.3K11 F12 L17 I18 L19 V146 L149 I150K11-L15 WeakPolarHBondContact O-CB 3.44Å; K11-L15 PolarHBondContact O-N 3.27Å; F12-L15 PolarHBondContact O-N 3.36Å; L15-L17 PolarHBondContact O-N 3.35Å; L15-I18 PolarHBondContact O-N 3.38Å; L15-L19 HydrophobicContact CD1-CD1 3.9Å; L15-L19 HydrophobicContact CD1-CG 3.98Å; L15-L19 HydrophobicContact CD2-CD1 4.48Å; L15-L19 HydrophobicContact CG-CD1 3.83Å; L15-L19 HydrophobicContact CG-CG 4.32Å; L15-L19 WeakPolarHBondContact O-CB 3.27Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.42Å; L15-L19 PolarHBondContact O-N 3.45Å; L15-V146 HydrophobicContact CD2-CB 4.38Å; L15-V146 HydrophobicContact CD2-CG1 3.79Å; L15-L149 HydrophobicContact CD2-CB 4.11Å; L15-L149 HydrophobicContact CD2-CD1 4.34Å; L15-L149 HydrophobicContact CG-CD1 4.49Å; L15-I150 HydrophobicContact CD2-CG1 4.16Å
16A98.3Very high96.9Very high25 Ų2572.2 Ų72.221%0.20736%0.362CS..Hα-helixtrans-59.5-46.4-177.700000111.9F12 L19 E20 L149F12-A16 HydrophobicContact CE2-CB 4.43Å; F12-A16 HydrophobicContact CZ-CB 4.46Å; F12-A16 WeakPolarHBondContact O-CB 3.47Å; F12-A16 PolarHBondContact O-N 3.03Å; A16-L19 PolarHBondContact O-N 3.1Å; A16-E20 WeakPolarHBondContact O-CB 3.21Å; A16-E20 PolarHBondContact O-N 3.3Å; A16-L149 HydrophobicContact CB-CD1 4.25Å
17L98.6Very high97.4Very high111 Ų11172.8 Ų72.858%0.58136%0.361SS*.Hα-helixtrans-68.6-37.4178.9-68173.3000112.4P13 L15 E20 I21P13-L17 VanDerWaalsContact O-CB 3.26Å; P13-L17 WeakPolarHBondContact O-CB 3.46Å; P13-L17 WeakPolarHBondContact O-CG 3.47Å; P13-L17 PolarHBondContact O-N 3.25Å; L15-L17 PolarHBondContact O-N 3.35Å; L17-E20 PolarHBondContact O-N 2.76Å; L17-I21 WeakPolarHBondContact O-CB 3.09Å; L17-I21 WeakPolarHBondContact O-CD1 3.23Å; L17-I21 WeakPolarHBondContact O-CG1 3.22Å; L17-I21 PolarHBondContact O-N 3.35Å
18I98.5Very high97.7Very high83 Ų8371.7 Ų71.743%0.42637%0.366SS..Hα-helixtrans-63-46.7174.7-73.7171000110.4I14 L15 E20 I21 I22I14-I18 HydrophobicContact CG2-CD1 3.6Å; I14-I18 HydrophobicContact CG2-CG1 4.45Å; I14-I18 WeakPolarHBondContact O-CB 3.39Å; I14-I18 WeakPolarHBondContact O-CD1 3.41Å; I14-I18 WeakPolarHBondContact O-CG1 3.42Å; I14-I18 PolarHBondContact O-N 3.32Å; L15-I18 PolarHBondContact O-N 3.38Å; I18-E20 VanDerWaalsContact C-N 3.34Å; I18-E20 PolarHBondContact O-N 2.84Å; I18-I21 PolarHBondContact O-N 2.79Å; I18-I22 HydrophobicContact CG2-CD1 3.64Å; I18-I22 HydrophobicContact CG2-CG1 4.39Å; I18-I22 WeakPolarHBondContact O-CB 3.47Å; I18-I22 VanDerWaalsContact O-CG1 3.24Å; I18-I22 WeakPolarHBondContact O-CG1 3.43Å; I18-I22 PolarHBondContact O-N 3.31Å
19L98.4Very high97.8Very high17 Ų1775 Ų759%0.08939%0.385CS..Hα-helixtrans-61-43.4178.2-71.4173.2000111.6L15 A16 I22 T23 F96 L149 I153L15-L19 HydrophobicContact CD1-CD1 3.9Å; L15-L19 HydrophobicContact CD1-CG 3.98Å; L15-L19 HydrophobicContact CD2-CD1 4.48Å; L15-L19 HydrophobicContact CG-CD1 3.83Å; L15-L19 HydrophobicContact CG-CG 4.32Å; L15-L19 WeakPolarHBondContact O-CB 3.27Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.42Å; L15-L19 PolarHBondContact O-N 3.45Å; A16-L19 PolarHBondContact O-N 3.1Å; L19-I22 PolarHBondContact O-N 3.4Å; L19-T23 WeakPolarHBondContact O-CB 3.39Å; L19-T23 PolarHBondContact O-N 2.87Å; L19-T23 PolarHBondContact O-OG1 3.39Å; L19-F96 HydrophobicContact CB-CE2 4.02Å; L19-F96 HydrophobicContact CB-CZ 4.32Å; L19-F96 HydrophobicContact CD1-CE1 4.28Å; L19-F96 HydrophobicContact CD1-CZ 4.19Å; L19-F96 HydrophobicContact CD2-CZ 4.08Å; L19-F96 HydrophobicContact CG-CZ 4.43Å; L19-L149 HydrophobicContact CD1-CB 4.03Å; L19-L149 HydrophobicContact CD1-CD1 4.29Å; L19-L149 HydrophobicContact CD1-CD2 4.5Å; L19-I153 HydrophobicContact CD2-CD1 3.87Å
20E98.7Very high97.9Very high70 Ų7068.4 Ų68.433%0.32736%0.361SS..Hα-helixtrans-65.3-45.7177.6-174.461.3-161.500111.7A16 L17 I18 I22 T23 I24 Q99A16-E20 WeakPolarHBondContact O-CB 3.21Å; A16-E20 PolarHBondContact O-N 3.3Å; L17-E20 PolarHBondContact O-N 2.76Å; I18-E20 VanDerWaalsContact C-N 3.34Å; I18-E20 PolarHBondContact O-N 2.84Å; E20-I22 VanDerWaalsContact C-N 3.34Å; E20-I22 PolarHBondContact O-N 2.97Å; E20-T23 PolarHBondContact O-N 3.18Å; E20-I24 HydrophobicContact CG-CD1 4.04Å; E20-I24 WeakPolarHBondContact O-CG1 3.25Å; E20-I24 PolarHBondContact O-N 3.25Å; E20-Q99 PolarHBondContact OE2-NE2 2.8Å; E20-Q99 VanDerWaalsContact OE2-NE2 3.07Å
21I98.8Very high98.1Very high99 Ų9963.6 Ų63.651%0.50834%0.337SS..Hα-helixtrans-60.6-44.3177.1-71164.7000111.1L17 I18 T23 I24 I25L17-I21 WeakPolarHBondContact O-CB 3.09Å; L17-I21 WeakPolarHBondContact O-CD1 3.23Å; L17-I21 WeakPolarHBondContact O-CG1 3.22Å; L17-I21 PolarHBondContact O-N 3.35Å; I18-I21 PolarHBondContact O-N 2.79Å; I21-T23 VanDerWaalsContact C-N 3.34Å; I21-I24 PolarHBondContact O-N 2.89Å; I21-I25 HydrophobicContact CG2-CD1 3.89Å; I21-I25 VanDerWaalsContact O-CG1 3.29Å; I21-I25 WeakPolarHBondContact O-CG1 3.49Å; I21-I25 PolarHBondContact O-N 2.88Å
22I98.6Very high98.2Very high77 Ų7762.8 Ų62.840%0.39534%0.338SS..Hα-helixtrans-61.1-46.9176.7-71.7169000110I18 L19 E20 I24 I25 L26I18-I22 HydrophobicContact CG2-CD1 3.64Å; I18-I22 HydrophobicContact CG2-CG1 4.39Å; I18-I22 WeakPolarHBondContact O-CB 3.47Å; I18-I22 VanDerWaalsContact O-CG1 3.24Å; I18-I22 WeakPolarHBondContact O-CG1 3.43Å; I18-I22 PolarHBondContact O-N 3.31Å; L19-I22 PolarHBondContact O-N 3.4Å; E20-I22 VanDerWaalsContact C-N 3.34Å; E20-I22 PolarHBondContact O-N 2.97Å; I22-I24 PolarHBondContact O-N 3.07Å; I22-I25 PolarHBondContact O-N 3.08Å; I22-L26 HydrophobicContact CG2-CD1 3.85Å; I22-L26 HydrophobicContact CG2-CG 4.34Å; I22-L26 VanDerWaalsContact O-CG 3.31Å; I22-L26 WeakPolarHBondContact O-CG 3.43Å; I22-L26 PolarHBondContact O-N 2.82Å
23T98.6Very high98.1Very high1 Ų169.6 Ų69.61%0.00636%0.363CS..Hα-helixtrans-58.9-47.6178.4-58.80000111.2L19 E20 I21 I25 L26 F27 Q99 L103L19-T23 WeakPolarHBondContact O-CB 3.39Å; L19-T23 PolarHBondContact O-N 2.87Å; L19-T23 PolarHBondContact O-OG1 3.39Å; E20-T23 PolarHBondContact O-N 3.18Å; I21-T23 VanDerWaalsContact C-N 3.34Å; T23-I25 VanDerWaalsContact C-N 3.33Å; T23-I25 PolarHBondContact O-N 3.2Å; T23-L26 PolarHBondContact O-N 3.42Å; T23-L26 VanDerWaalsContact O-N 3.14Å; T23-F27 HydrophobicContact CG2-CD2 3.74Å; T23-F27 HydrophobicContact CG2-CE2 3.7Å; T23-F27 WeakPolarHBondContact O-CD2 3.08Å; T23-F27 PolarHBondContact O-N 3.1Å; T23-Q99 HydrophobicContact CG2-CB 3.6Å; T23-Q99 HydrophobicContact CG2-CG 4.41Å; T23-L103 HydrophobicContact CG2-CD1 4.1Å
24I98.8Very high97.6Very high93 Ų9369.5 Ų69.548%0.47736%0.36SS..Hα-helixtrans-58.2-44.6176.5-70.2167.3000111.4E20 I21 I22 L26 F27 A28E20-I24 HydrophobicContact CG-CD1 4.04Å; E20-I24 WeakPolarHBondContact O-CG1 3.25Å; E20-I24 PolarHBondContact O-N 3.25Å; I21-I24 PolarHBondContact O-N 2.89Å; I22-I24 PolarHBondContact O-N 3.07Å; I24-L26 VanDerWaalsContact C-N 3.34Å; I24-L26 PolarHBondContact O-N 3.44Å; I24-F27 PolarHBondContact O-N 2.99Å; I24-A28 WeakPolarHBondContact O-CB 3.29Å; I24-A28 PolarHBondContact O-N 3.22Å
25I98.8Very high96.8Very high91 Ų9168.9 Ų68.947%0.46736%0.358SS..Hα-helixtrans-61.2-45.6177.3-69.6166.2000110.1I21 I22 T23 A28 L29I21-I25 HydrophobicContact CG2-CD1 3.89Å; I21-I25 VanDerWaalsContact O-CG1 3.29Å; I21-I25 WeakPolarHBondContact O-CG1 3.49Å; I21-I25 PolarHBondContact O-N 2.88Å; I22-I25 PolarHBondContact O-N 3.08Å; T23-I25 VanDerWaalsContact C-N 3.33Å; T23-I25 PolarHBondContact O-N 3.2Å; I25-A28 PolarHBondContact O-N 3.11Å; I25-L29 HydrophobicContact CG2-CD1 3.9Å; I25-L29 HydrophobicContact CG2-CG 4.45Å; I25-L29 WeakPolarHBondContact O-CB 3.46Å; I25-L29 VanDerWaalsContact O-CG 3.25Å; I25-L29 WeakPolarHBondContact O-CG 3.44Å; I25-L29 PolarHBondContact O-N 2.73Å
26L98.4Very high95.7Very high42 Ų4270 Ų7022%0.2238%0.378CS..Hα-helixtrans-65.6-40.2178.7-67.2173.9000112.1I22 T23 I24 L29 F30 W100 L103I22-L26 HydrophobicContact CG2-CD1 3.85Å; I22-L26 HydrophobicContact CG2-CG 4.34Å; I22-L26 VanDerWaalsContact O-CG 3.31Å; I22-L26 WeakPolarHBondContact O-CG 3.43Å; I22-L26 PolarHBondContact O-N 2.82Å; T23-L26 PolarHBondContact O-N 3.42Å; T23-L26 VanDerWaalsContact O-N 3.14Å; I24-L26 VanDerWaalsContact C-N 3.34Å; I24-L26 PolarHBondContact O-N 3.44Å; L26-L29 PolarHBondContact O-N 2.94Å; L26-F30 HydrophobicContact CD2-CD2 4.15Å; L26-F30 HydrophobicContact CD2-CE2 3.9Å; L26-F30 WeakPolarHBondContact O-CB 3.32Å; L26-F30 WeakPolarHBondContact O-CD2 3.47Å; L26-F30 PolarHBondContact O-N 2.99Å; L26-W100 HydrophobicContact CD1-CH2 4.38Å; L26-W100 HydrophobicContact CD1-CZ3 3.77Å; L26-L103 HydrophobicContact CB-CD1 3.8Å; L26-L103 HydrophobicContact CB-CD2 4.04Å; L26-L103 HydrophobicContact CD1-CD1 4.06Å
27F98.4Very high94.1Very high45 Ų4576.2 Ų76.220%0.19740%0.401CS..Hα-helixtrans-60.8-46.5172.9-92.8-110.6000111.2T23 I24 L29 F30 V31 Q99 L102 L103T23-F27 HydrophobicContact CG2-CD2 3.74Å; T23-F27 HydrophobicContact CG2-CE2 3.7Å; T23-F27 WeakPolarHBondContact O-CD2 3.08Å; T23-F27 PolarHBondContact O-N 3.1Å; I24-F27 PolarHBondContact O-N 2.99Å; F27-L29 PolarHBondContact O-N 3.37Å; F27-F30 PolarHBondContact O-N 3.38Å; F27-V31 HydrophobicContact CB-CB 4.36Å; F27-V31 HydrophobicContact CB-CG2 4.34Å; F27-V31 HydrophobicContact CD1-CB 3.78Å; F27-V31 HydrophobicContact CD1-CG1 3.89Å; F27-V31 HydrophobicContact CD1-CG2 3.76Å; F27-V31 HydrophobicContact CD2-CG2 4.29Å; F27-V31 HydrophobicContact CE1-CB 4.35Å; F27-V31 HydrophobicContact CE1-CG1 4.09Å; F27-V31 HydrophobicContact CE1-CG2 4.09Å; F27-V31 HydrophobicContact CG-CB 4.17Å; F27-V31 HydrophobicContact CG-CG2 3.87Å; F27-V31 HydrophobicContact CZ-CG2 4.49Å; F27-V31 WeakPolarHBondContact O-CA 3.37Å; F27-V31 WeakPolarHBondContact O-CB 3.38Å; F27-V31 PolarHBondContact O-N 3.46Å; F27-Q99 HydrophobicContact CE2-CB 3.98Å; F27-Q99 WeakPolarHBondContact CE2-O 3.49Å; F27-Q99 HydrophobicContact CZ-CB 4.13Å; F27-L102 HydrophobicContact CE1-CD2 4.03Å; F27-L102 HydrophobicContact CZ-CB 4.32Å; F27-L102 HydrophobicContact CZ-CD2 3.89Å; F27-L102 HydrophobicContact CZ-CG 4.47Å; F27-L103 HydrophobicContact CD2-CD1 3.75Å; F27-L103 HydrophobicContact CD2-CD2 3.81Å; F27-L103 HydrophobicContact CD2-CG 3.78Å; F27-L103 HydrophobicContact CE2-CD1 3.65Å; F27-L103 HydrophobicContact CE2-CD2 3.94Å; F27-L103 HydrophobicContact CE2-CG 3.48Å; F27-L103 VanDerWaalsContact CE2-CG 3.48Å; F27-L103 HydrophobicContact CZ-CG 4.38Å
28A98.3Very high91.9Very high79 Ų7975.6 Ų75.665%0.65340%0.398SS*.Hα-helixtrans-61.3-33.3177.500000112.7I24 I25I24-A28 WeakPolarHBondContact O-CB 3.29Å; I24-A28 PolarHBondContact O-N 3.22Å; I25-A28 PolarHBondContact O-N 3.11Å
29L97.6Very high89.6Confident97 Ų9778.9 Ų78.951%0.50841%0.411SS..Hα-helixtrans-81.9-38.2179.8-69.8175.6000113.3I25 L26 F27 K114I25-L29 HydrophobicContact CG2-CD1 3.9Å; I25-L29 HydrophobicContact CG2-CG 4.45Å; I25-L29 WeakPolarHBondContact O-CB 3.46Å; I25-L29 VanDerWaalsContact O-CG 3.25Å; I25-L29 WeakPolarHBondContact O-CG 3.44Å; I25-L29 PolarHBondContact O-N 2.73Å; L26-L29 PolarHBondContact O-N 2.94Å; F27-L29 PolarHBondContact O-N 3.37Å; L29-K114 PolarHBondContact O-NZ 3.13Å
30F97.8Very high86.9Confident71 Ų7186.7 Ų86.731%0.31145%0.447SS..Hα-helixtrans-117.6-26.1-167.4-64.2-71.8000114.4L26 F27 K114 I115L26-F30 HydrophobicContact CD2-CD2 4.15Å; L26-F30 HydrophobicContact CD2-CE2 3.9Å; L26-F30 WeakPolarHBondContact O-CB 3.32Å; L26-F30 WeakPolarHBondContact O-CD2 3.47Å; L26-F30 PolarHBondContact O-N 2.99Å; F27-F30 PolarHBondContact O-N 3.38Å; F30-K114 CarbonylContact O-C 3.46Å; F30-K114 VanDerWaalsContact O-CA 3.28Å; F30-K114 WeakPolarHBondContact O-CA 3.44Å; F30-I115 HydrophobicContact CB-CD1 4.25Å; F30-I115 PolarHBondContact O-N 3.1Å
31V97.9Very high84.1Confident20 Ų2091.6 Ų91.612%0.12148%0.475CS..EExtended strand (participates in β ladder)trans-102.1134-171-174.30000111F27 L102 L103 I115 M117F27-V31 HydrophobicContact CB-CB 4.36Å; F27-V31 HydrophobicContact CB-CG2 4.34Å; F27-V31 HydrophobicContact CD1-CB 3.78Å; F27-V31 HydrophobicContact CD1-CG1 3.89Å; F27-V31 HydrophobicContact CD1-CG2 3.76Å; F27-V31 HydrophobicContact CD2-CG2 4.29Å; F27-V31 HydrophobicContact CE1-CB 4.35Å; F27-V31 HydrophobicContact CE1-CG1 4.09Å; F27-V31 HydrophobicContact CE1-CG2 4.09Å; F27-V31 HydrophobicContact CG-CB 4.17Å; F27-V31 HydrophobicContact CG-CG2 3.87Å; F27-V31 HydrophobicContact CZ-CG2 4.49Å; F27-V31 WeakPolarHBondContact O-CA 3.37Å; F27-V31 WeakPolarHBondContact O-CB 3.38Å; F27-V31 PolarHBondContact O-N 3.46Å; V31-L102 HydrophobicContact CG1-CD2 4.07Å; V31-L102 HydrophobicContact CG2-CD2 3.87Å; V31-L103 HydrophobicContact CG2-CD2 3.74Å; V31-I115 HydrophobicContact CG2-CB 4.19Å; V31-I115 HydrophobicContact CG2-CD1 4.11Å; V31-M117 HydrophobicContact CG1-CB 3.94Å; V31-M117 HydrophobicContact CG1-SD 4.35Å
32V96.9Very high81.2Confident53 Ų5389.8 Ų89.832%0.32148%0.481SS..EExtended strand (participates in β ladder)trans-136.8160.1174.4-60.20000109.7K114 I115 K116 M117V32-K114 HydrophobicContact CG1-CD 4.07Å; V32-K114 HydrophobicContact CG1-CG 4.33Å; V32-K114 HydrophobicContact CG2-CB 4Å; V32-I115 PolarHBondContact N-O 3.22Å; V32-I115 VanDerWaalsContact O-O 3.12Å; V32-K116 HydrophobicContact CG2-CD 3.7Å; V32-M117 PolarHBondContact O-N 3.37Å
33Y94.5Very high78.2Confident203 Ų20395.6 Ų95.680%0.79651%0.507SS*.EExtended strand (participates in β ladder)trans-62.7141.7170.3-65.5-62.5000110.6D35Y33-D35 PolarHBondContact O-N 3.04Å
34D88.3Confident75.5Confident49 Ų49104.5 Ų104.526%0.26255%0.548SS..  trans-62.1123.1165.8-164.6-20.2000109.4G36 K116 M117 N118D34-G36 PolarHBondContact OD1-N 2.75Å; D34-K116 HydrophobicContact CB-CB 4.25Å; D34-M117 WeakPolarHBondContact CB-O 3.31Å; D34-M117 PolarHBondContact N-O 3.01Å; D34-M117 VanDerWaalsContact N-O 3.16Å; D34-N118 HydrophobicContact CB-CB 4.02Å; D34-N118 PolarHBondContact OD2-ND2 3.08Å
35D82Confident72.5Confident82 Ų82107.6 Ų107.644%0.43957%0.565SS.*  trans-941.7-179.454.3-9.4000112.8Y33 K37 K116Y33-D35 PolarHBondContact O-N 3.04Å; D35-K37 PolarHBondContact O-N 3.16Å; D35-K116 VanDerWaalsContact CG-NZ 3.28Å; D35-K116 IonicContact OD1-NZ 3.99Å; D35-K116 PolarHBondContact OD1-NZ 3.04Å; D35-K116 IonicContact OD2-NZ 3.75Å; D35-K116 PolarHBondContact OD2-NZ 3.49Å
36G73.1Confident69.8Low61 Ų61107.9 Ų107.963%0.62958%0.581SS**SBendtrans69.416.2175.600000114.1D34D34-G36 PolarHBondContact OD1-N 2.75Å
37K64.4Low67Low156 Ų156112.5 Ų112.568%0.67861%0.606SS**  trans-98.8-7.6-171-71.7-178-176.3175.90115.3D35D35-K37 PolarHBondContact O-N 3.16Å
38D52.3Low64.3Low98 Ų98117 Ų11752%0.52464%0.637SS.*  trans-130.456.2-168.5-68.8-50.6000114.4
39H51.7Low61.7Low153 Ų153119.5 Ų119.571%0.70864%0.644SS**  trans-117.946.4165-70.2-48.1000112.2
40H41.5Very low59.2Low180 Ų180124.3 Ų124.383%0.83366%0.661SS**  trans-129.270.4175.1-76.7-54.1000112.2
41D40.6Very low56.9Low173 Ų173130 Ų13093%0.92569%0.689SS**  trans-96.494.6154.1-80.1-34.6000109.2
42G37.5Very low55Low62 Ų62134.4 Ų134.464%0.63971%0.708SS**SBendtrans5690.4147.600000119.3
43H34.5Very low53.7Low199 Ų199135 Ų13592%0.92171%0.714SS**  -176.9120.6114.3-98.1-74.2000108.8D45H43-D45 PolarHBondContact O-N 3.35Å
44H42.1Very low52.5Low188 Ų188131 Ų13187%0.8771%0.713SS**  trans-63.9116.2170.1-81.2-79000109.8
45D35.1Very low52.2Low157 Ų157133 Ų13384%0.8473%0.727SS**  trans-135.4115.4141.5-92.9-38.5000108.8H43 N47H43-D45 PolarHBondContact O-N 3.35Å; D45-N47 VanDerWaalsContact C-N 3.3Å; D45-N47 PolarHBondContact O-N 3.07Å
46A43.5Very low52.5Low97 Ų97133.1 Ų133.180%0.80273%0.725SS**  trans-7287.1172.800000108.6
47N38.4Very low53.3Low140 Ų140132.2 Ų132.275%0.74971%0.706SS**SBendtrans-163.5103.6156.3-96.9-24.5000111D45 T49D45-N47 VanDerWaalsContact C-N 3.3Å; D45-N47 PolarHBondContact O-N 3.07Å; N47-T49 PolarHBondContact O-N 3.12Å
48T43.3Very low54.8Low139 Ų139130 Ų13085%0.85369%0.694SS**  trans5058.8154.555.70000117.3K50T48-K50 PolarHBondContact O-N 3.36Å
49T42.3Very low56.9Low131 Ų131128.7 Ų128.780%0.80469%0.691SS**  trans-81.4106.2156.747.40000107.9N47 E51N47-T49 PolarHBondContact O-N 3.12Å; T49-E51 PolarHBondContact O-N 3.36Å; T49-E51 VanDerWaalsContact O-N 3.08Å
50K44.9Very low59Low198 Ų198123 Ų12386%0.86167%0.665SS**  trans-52.9116.8159.6-86.6176.8171.5177.80106T48 E52T48-K50 PolarHBondContact O-N 3.36Å; K50-E52 PolarHBondContact O-N 2.92Å
51E50.6Low61.7Low190 Ų190115.3 Ų115.389%0.88863%0.629SS**  trans-53.2111.2164.2-78.5178163.500106.7T49 S53T49-E51 PolarHBondContact O-N 3.36Å; T49-E51 VanDerWaalsContact O-N 3.08Å; E51-S53 PolarHBondContact O-N 2.92Å
52E58Low64.5Low114 Ų114111.2 Ų111.253%0.53360%0.604SS.*  trans-60.4133.7175.6-74-162.8148.500108.2K50 Q56 T239K50-E52 PolarHBondContact O-N 2.92Å; E52-Q56 PolarHBondContact OE1-NE2 2.91Å; E52-T239 WeakPolarHBondContact OE1-CG2 3.41Å
53S69.9Low67.4Low64 Ų64110 Ų11045%0.44858%0.583SS.*  trans-64.9134.7-175-174.30000109.4E51 V55 Q56E51-S53 PolarHBondContact O-N 2.92Å; S53-V55 PolarHBondContact O-N 3.46Å; S53-V55 VanDerWaalsContact OG-CG2 3.27Å; S53-V55 WeakPolarHBondContact OG-CG2 3.43Å; S53-Q56 WeakPolarHBondContact O-CB 3.28Å; S53-Q56 PolarHBondContact O-N 3.41Å
54P68.3Low70.4Confident119 Ų119100.5 Ų100.577%0.77354%0.539SS*.THydrogen-bonded Turntrans-55.4-14177-26.933.9000114.6I119P54-I119 WeakPolarHBondContact O-CD1 3.23Å
55V82.6Confident73.1Confident91 Ų9194.4 Ų94.455%0.55251%0.511SS*.THydrogen-bonded Turntrans-1056.2179.6-61.80000114.3S53 L57 Y58S53-V55 PolarHBondContact O-N 3.46Å; S53-V55 VanDerWaalsContact OG-CG2 3.27Å; S53-V55 WeakPolarHBondContact OG-CG2 3.43Å; V55-L57 VanDerWaalsContact C-N 3.28Å; V55-L57 PolarHBondContact O-N 2.86Å; V55-Y58 WeakPolarHBondContact O-CB 3.31Å; V55-Y58 PolarHBondContact O-N 3.26Å
56Q86.9Confident76.2Confident86 Ų8688.8 Ų88.840%0.40248%0.482SS..THydrogen-bonded Turntrans-61.7-34.4-178.1-178.2170.7-2200113E52 S53 Y58 P59E52-Q56 PolarHBondContact OE1-NE2 2.91Å; S53-Q56 WeakPolarHBondContact O-CB 3.28Å; S53-Q56 PolarHBondContact O-N 3.41Å; Q56-Y58 VanDerWaalsContact C-N 3.31Å; Q56-P59 WeakPolarHBondContact O-CD 3.38Å
57L91.4Very high78.8Confident42 Ų4284.3 Ų84.322%0.2245%0.445CS..THydrogen-bonded Turntrans-80.8-7.9176.8-68.2175.6000113.6V55 M60 F61 I119 F120 I123V55-L57 VanDerWaalsContact C-N 3.28Å; V55-L57 PolarHBondContact O-N 2.86Å; L57-M60 PolarHBondContact O-N 3.4Å; L57-F61 PolarHBondContact O-N 3.43Å; L57-I119 HydrophobicContact CB-CB 4.41Å; L57-I119 HydrophobicContact CB-CG2 3.79Å; L57-F120 HydrophobicContact CD1-CB 3.98Å; L57-F120 HydrophobicContact CD1-CD2 4.11Å; L57-I123 HydrophobicContact CB-CD1 4.09Å
58Y95.3Very high81.7Confident108 Ų10877.6 Ų77.642%0.42441%0.409SS..Hα-helixtrans-57.2-42.7-174.8-173.1-109.2000113.6V55 Q56 M60 F61 Q62 I119V55-Y58 WeakPolarHBondContact O-CB 3.31Å; V55-Y58 PolarHBondContact O-N 3.26Å; Q56-Y58 VanDerWaalsContact C-N 3.31Å; Y58-M60 PolarHBondContact O-N 3.07Å; Y58-F61 AromaticContact CD2-CD1 3.83Å; Y58-F61 HydrophobicContact CD2-CD1 3.83Å; Y58-F61 HydrophobicContact CD2-CE1 4.43Å; Y58-F61 AromaticContact CE2-CD1 3.86Å; Y58-F61 HydrophobicContact CE2-CD1 3.86Å; Y58-F61 HydrophobicContact CE2-CE1 4.03Å; Y58-F61 WeakPolarHBondContact O-CB 3.34Å; Y58-F61 PolarHBondContact O-N 2.89Å; Y58-Q62 HydrophobicContact CD1-CG 4.19Å; Y58-Q62 HydrophobicContact CE1-CG 3.81Å; Y58-Q62 VanDerWaalsContact CE1-OE1 3.25Å; Y58-Q62 HydrophobicContact CE2-CG 4.24Å; Y58-Q62 WeakPolarHBondContact O-CG 3.41Å; Y58-Q62 PolarHBondContact O-N 3.2Å; Y58-I119 HydrophobicContact CD2-CD1 4.1Å; Y58-I119 HydrophobicContact CG-CD1 4.45Å
59P96.8Very high84.3Confident71 Ų7173.1 Ų73.146%0.46138%0.378SS..Hα-helixtrans-62.2-44.2177.2-23.735.9000113.1Q56 F61 Q62 D63Q56-P59 WeakPolarHBondContact O-CD 3.38Å; P59-F61 VanDerWaalsContact C-N 3.32Å; P59-F61 PolarHBondContact O-N 2.83Å; P59-Q62 WeakPolarHBondContact O-CB 3.37Å; P59-Q62 PolarHBondContact O-N 2.64Å; P59-Q62 VanDerWaalsContact O-N 3.16Å; P59-D63 PolarHBondContact O-N 2.8Å
60M96.3Very high87Confident35 Ų3569.5 Ų69.517%0.17235%0.353CS..Hα-helixtrans-66.6-36.6177.2-71-177.6177.900111.8L57 Y58 D63 V64 S234 A235 Q243L57-M60 PolarHBondContact O-N 3.4Å; Y58-M60 PolarHBondContact O-N 3.07Å; M60-D63 PolarHBondContact O-N 2.76Å; M60-V64 WeakPolarHBondContact O-CG2 3.43Å; M60-V64 PolarHBondContact O-N 2.92Å; M60-S234 WeakPolarHBondContact CE-OG 3.39Å; M60-A235 HydrophobicContact CB-CB 4.26Å; M60-Q243 HydrophobicContact CE-CG 3.98Å; M60-Q243 PolarHBondContact SD-NE2 3.4Å; M60-Q243 VanDerWaalsContact SD-NE2 3.42Å
61F97.5Very high89.6Confident17 Ų1760.1 Ų60.18%0.07531%0.312CS..Hα-helixtrans-57.2-48.9169.6160.7-103.1000111.3L57 Y58 P59 D63 V64 H65 I119 M122 I123 D126L57-F61 PolarHBondContact O-N 3.43Å; Y58-F61 AromaticContact CD2-CD1 3.83Å; Y58-F61 HydrophobicContact CD2-CD1 3.83Å; Y58-F61 HydrophobicContact CD2-CE1 4.43Å; Y58-F61 AromaticContact CE2-CD1 3.86Å; Y58-F61 HydrophobicContact CE2-CD1 3.86Å; Y58-F61 HydrophobicContact CE2-CE1 4.03Å; Y58-F61 WeakPolarHBondContact O-CB 3.34Å; Y58-F61 PolarHBondContact O-N 2.89Å; P59-F61 VanDerWaalsContact C-N 3.32Å; P59-F61 PolarHBondContact O-N 2.83Å; F61-D63 VanDerWaalsContact C-N 3.31Å; F61-D63 PolarHBondContact O-N 3.01Å; F61-V64 PolarHBondContact O-N 2.9Å; F61-H65 HydrophobicContact CE2-CB 4.16Å; F61-H65 AromaticContact CE2-ND1 3.77Å; F61-H65 HydrophobicContact CZ-CB 4.2Å; F61-H65 AromaticContact CZ-CG 3.94Å; F61-H65 AromaticContact CZ-ND1 3.86Å; F61-H65 VanDerWaalsContact O-CB 3.24Å; F61-H65 WeakPolarHBondContact O-CB 3.33Å; F61-H65 PolarHBondContact O-N 2.75Å; F61-I119 HydrophobicContact CB-CG2 3.66Å; F61-I119 HydrophobicContact CG-CG2 4.17Å; F61-M122 HydrophobicContact CD2-CB 4.11Å; F61-M122 HydrophobicContact CD2-CE 4.41Å; F61-M122 HydrophobicContact CE1-CE 3.97Å; F61-M122 HydrophobicContact CE2-CB 4.01Å; F61-M122 HydrophobicContact CE2-CE 3.74Å; F61-M122 HydrophobicContact CZ-CE 3.49Å; F61-M122 VanDerWaalsContact CZ-CE 3.49Å; F61-I123 HydrophobicContact CB-CD1 3.98Å; F61-I123 HydrophobicContact CB-CG1 3.7Å; F61-I123 HydrophobicContact CD2-CG1 4.13Å; F61-I123 HydrophobicContact CG-CG1 4.42Å; F61-D126 WeakPolarHBondContact CE2-OD2 3.4Å
62Q98.6Very high91.8Very high87 Ų8751.5 Ų51.541%0.40727%0.272SS..Hα-helixtrans-59.4-43.1179.4-69.7-177.8-72.600111.8Y58 P59 H65 V66Y58-Q62 HydrophobicContact CD1-CG 4.19Å; Y58-Q62 HydrophobicContact CE1-CG 3.81Å; Y58-Q62 VanDerWaalsContact CE1-OE1 3.25Å; Y58-Q62 HydrophobicContact CE2-CG 4.24Å; Y58-Q62 WeakPolarHBondContact O-CG 3.41Å; Y58-Q62 PolarHBondContact O-N 3.2Å; P59-Q62 WeakPolarHBondContact O-CB 3.37Å; P59-Q62 PolarHBondContact O-N 2.64Å; P59-Q62 VanDerWaalsContact O-N 3.16Å; Q62-H65 PolarHBondContact O-N 3.39Å; Q62-V66 VanDerWaalsContact O-CG2 3.28Å; Q62-V66 WeakPolarHBondContact O-CG2 3.3Å; Q62-V66 PolarHBondContact O-N 2.77Å
63D98.8Very high93.7Very high37 Ų3746 Ų4620%0.19825%0.246CC..Hα-helixtrans-60.6-49.8177.9-67.6-14.3000111.4P59 M60 F61 H65 V66 M67 F228 S231P59-D63 PolarHBondContact O-N 2.8Å; M60-D63 PolarHBondContact O-N 2.76Å; F61-D63 VanDerWaalsContact C-N 3.31Å; F61-D63 PolarHBondContact O-N 3.01Å; D63-H65 PolarHBondContact O-N 3.36Å; D63-V66 PolarHBondContact O-N 2.79Å; D63-M67 WeakPolarHBondContact O-CG 3.43Å; D63-M67 PolarHBondContact O-N 3.45Å; D63-F228 HydrophobicContact CB-CB 4Å; D63-F228 HydrophobicContact CB-CD1 4.09Å; D63-F228 HydrophobicContact CB-CD2 4.33Å; D63-F228 HydrophobicContact CB-CG 3.91Å; D63-S231 WeakPolarHBondContact OD2-CB 3.44Å; D63-S231 PolarHBondContact OD2-OG 3.02Å
64V98.7Very high95.1Very high0 Ų045.7 Ų45.70%024%0.237CC..Hα-helixtrans-61.3-44.5176.9173.70000110.7M60 F61 V66 M67 I68 D126 F127 F232 A235M60-V64 WeakPolarHBondContact O-CG2 3.43Å; M60-V64 PolarHBondContact O-N 2.92Å; F61-V64 PolarHBondContact O-N 2.9Å; V64-V66 VanDerWaalsContact C-N 3.31Å; V64-V66 PolarHBondContact O-N 3.08Å; V64-M67 WeakPolarHBondContact O-CA 3.41Å; V64-M67 VanDerWaalsContact O-CB 3.27Å; V64-M67 WeakPolarHBondContact O-CB 3.35Å; V64-M67 PolarHBondContact O-N 3.13Å; V64-I68 WeakPolarHBondContact O-CG1 3.44Å; V64-I68 PolarHBondContact O-N 3.41Å; V64-I68 VanDerWaalsContact O-N 3.08Å; V64-D126 HydrophobicContact CG1-CB 3.59Å; V64-F127 HydrophobicContact CG1-CD1 4.13Å; V64-F127 HydrophobicContact CG1-CE1 3.92Å; V64-F127 HydrophobicContact CG2-CE1 4.13Å; V64-F232 HydrophobicContact CG1-CD2 4.12Å; V64-F232 HydrophobicContact CG1-CE2 4.43Å; V64-F232 HydrophobicContact CG2-CB 4.28Å; V64-F232 HydrophobicContact CG2-CD2 4.18Å; V64-A235 HydrophobicContact CG2-CB 4.41Å
65H98.8Very high96.6Very high60 Ų6040.5 Ų40.528%0.27820%0.203SC..Hα-helixtrans-62.2-38.9178.9-155.871.4000111.7F61 Q62 D63 M67 I68 F69 D126F61-H65 HydrophobicContact CE2-CB 4.16Å; F61-H65 AromaticContact CE2-ND1 3.77Å; F61-H65 HydrophobicContact CZ-CB 4.2Å; F61-H65 AromaticContact CZ-CG 3.94Å; F61-H65 AromaticContact CZ-ND1 3.86Å; F61-H65 VanDerWaalsContact O-CB 3.24Å; F61-H65 WeakPolarHBondContact O-CB 3.33Å; F61-H65 PolarHBondContact O-N 2.75Å; Q62-H65 PolarHBondContact O-N 3.39Å; D63-H65 PolarHBondContact O-N 3.36Å; H65-M67 VanDerWaalsContact C-N 3.31Å; H65-M67 PolarHBondContact O-N 2.82Å; H65-I68 WeakPolarHBondContact O-CB 3.45Å; H65-I68 PolarHBondContact O-N 3Å; H65-F69 AromaticContact CD2-CD2 3.87Å; H65-F69 AromaticContact CD2-CE2 3.91Å; H65-F69 AromaticContact CE1-CE2 3.3Å; H65-F69 WeakPolarHBondContact CE1-CE2 3.43Å; H65-F69 AromaticContact ND1-CE2 3.71Å; H65-F69 AromaticContact NE2-CD2 3.82Å; H65-F69 AromaticContact NE2-CE2 3.41Å; H65-F69 WeakPolarHBondContact NE2-CE2 3.28Å; H65-F69 WeakPolarHBondContact O-CD2 3.2Å; H65-F69 PolarHBondContact O-N 3.44Å; H65-F69 VanDerWaalsContact O-N 3.1Å; H65-D126 IonicContact CE1-OD1 3.21Å; H65-D126 IonicContact CG-OD1 3.94Å; H65-D126 IonicContact ND1-OD1 3.81Å; H65-D126 PolarHBondContact ND1-OD1 2.92Å; H65-D126 IonicContact ND1-OD2 3.73Å
66V98.9Very high97.3Very high39 Ų3936.4 Ų36.424%0.23618%0.178CC..Hα-helixtrans-63.8-37.7173.3172.70000111.3Q62 D63 V64 I68 F69 I70 G71 F224 F228Q62-V66 VanDerWaalsContact O-CG2 3.28Å; Q62-V66 WeakPolarHBondContact O-CG2 3.3Å; Q62-V66 PolarHBondContact O-N 2.77Å; D63-V66 PolarHBondContact O-N 2.79Å; V64-V66 VanDerWaalsContact C-N 3.31Å; V64-V66 PolarHBondContact O-N 3.08Å; V66-I68 VanDerWaalsContact C-N 3.3Å; V66-I68 PolarHBondContact O-N 2.9Å; V66-F69 PolarHBondContact O-N 3.32Å; V66-I70 HydrophobicContact CG1-CB 4.01Å; V66-I70 HydrophobicContact CG1-CD1 4.01Å; V66-I70 HydrophobicContact CG1-CG1 4.25Å; V66-I70 WeakPolarHBondContact O-CA 3.41Å; V66-I70 WeakPolarHBondContact O-CB 3.41Å; V66-I70 PolarHBondContact O-N 2.94Å; V66-G71 PolarHBondContact O-N 3.42Å; V66-F224 HydrophobicContact CG1-CB 4.4Å; V66-F224 HydrophobicContact CG1-CD1 3.46Å; V66-F224 VanDerWaalsContact CG1-CD1 3.46Å; V66-F224 HydrophobicContact CG1-CE1 3.99Å; V66-F224 HydrophobicContact CG1-CG 4.16Å; V66-F228 HydrophobicContact CB-CD2 3.88Å; V66-F228 HydrophobicContact CB-CE2 3.76Å; V66-F228 HydrophobicContact CG1-CD2 3.81Å; V66-F228 HydrophobicContact CG1-CE2 3.55Å; V66-F228 HydrophobicContact CG2-CE2 4.23Å
67M98.8Very high97.9Very high2 Ų232.9 Ų32.91%0.0116%0.162CC..Iπ-helixtrans-60.1-39.5173.3-66.5175.366.500112.1D63 V64 H65 G71 F72 L225 F228 W229 F232D63-M67 WeakPolarHBondContact O-CG 3.43Å; D63-M67 PolarHBondContact O-N 3.45Å; V64-M67 WeakPolarHBondContact O-CA 3.41Å; V64-M67 VanDerWaalsContact O-CB 3.27Å; V64-M67 WeakPolarHBondContact O-CB 3.35Å; V64-M67 PolarHBondContact O-N 3.13Å; H65-M67 VanDerWaalsContact C-N 3.31Å; H65-M67 PolarHBondContact O-N 2.82Å; M67-G71 CarbonylContact O-C 3.57Å; M67-G71 WeakPolarHBondContact O-CA 3.42Å; M67-G71 PolarHBondContact O-N 3.37Å; M67-F72 WeakPolarHBondContact O-CD2 3.46Å; M67-F72 PolarHBondContact O-N 3.22Å; M67-L225 HydrophobicContact CB-CD2 3.82Å; M67-L225 HydrophobicContact CE-CD2 3.84Å; M67-L225 HydrophobicContact CG-CD2 4.12Å; M67-F228 HydrophobicContact CG-CB 3.69Å; M67-F228 HydrophobicContact SD-CB 3.74Å; M67-W229 HydrophobicContact CE-CB 4.44Å; M67-W229 HydrophobicContact CE-CD2 3.98Å; M67-W229 HydrophobicContact CE-CE3 4.11Å; M67-W229 HydrophobicContact CE-CG 4.16Å; M67-F232 HydrophobicContact CE-CB 3.9Å; M67-F232 HydrophobicContact CE-CD2 3.82Å; M67-F232 HydrophobicContact CE-CG 4Å; M67-F232 HydrophobicContact SD-CB 3.71Å; M67-F232 HydrophobicContact SD-CD2 3.97Å; M67-F232 HydrophobicContact SD-CG 4.23Å
68I98.8Very high98.2Very high0 Ų031.9 Ų31.90%016%0.156CC..Iπ-helixtrans-65-51177.8-60.6-48.7000111.9V64 H65 V66 N90 A94 D126 T129 A130 L133V64-I68 WeakPolarHBondContact O-CG1 3.44Å; V64-I68 PolarHBondContact O-N 3.41Å; V64-I68 VanDerWaalsContact O-N 3.08Å; H65-I68 WeakPolarHBondContact O-CB 3.45Å; H65-I68 PolarHBondContact O-N 3Å; V66-I68 VanDerWaalsContact C-N 3.3Å; V66-I68 PolarHBondContact O-N 2.9Å; I68-N90 PolarHBondContact O-ND2 2.96Å; I68-A94 HydrophobicContact CG2-CB 3.57Å; I68-D126 HydrophobicContact CD1-CB 4.46Å; I68-D126 WeakPolarHBondContact CD1-O 3.33Å; I68-D126 HydrophobicContact CG1-CB 3.92Å; I68-D126 WeakPolarHBondContact CG1-OD1 3.38Å; I68-T129 HydrophobicContact CG2-CG2 3.88Å; I68-A130 HydrophobicContact CD1-CB 3.64Å; I68-L133 HydrophobicContact CG2-CD1 3.77Å
69F98.8Very high98.3Very high45 Ų4526.9 Ų26.920%0.19714%0.136CC..Iπ-helixtrans-88.6-44.1-171.3-70.9-81.4000113.8H65 V66 L91 A94 L98H65-F69 AromaticContact CD2-CD2 3.87Å; H65-F69 AromaticContact CD2-CE2 3.91Å; H65-F69 AromaticContact CE1-CE2 3.3Å; H65-F69 WeakPolarHBondContact CE1-CE2 3.43Å; H65-F69 AromaticContact ND1-CE2 3.71Å; H65-F69 AromaticContact NE2-CD2 3.82Å; H65-F69 AromaticContact NE2-CE2 3.41Å; H65-F69 WeakPolarHBondContact NE2-CE2 3.28Å; H65-F69 WeakPolarHBondContact O-CD2 3.2Å; H65-F69 PolarHBondContact O-N 3.44Å; H65-F69 VanDerWaalsContact O-N 3.1Å; V66-F69 PolarHBondContact O-N 3.32Å; F69-L91 HydrophobicContact CD1-CD1 3.63Å; F69-L91 HydrophobicContact CE1-CD1 3.56Å; F69-A94 HydrophobicContact CD1-CB 4.11Å; F69-A94 HydrophobicContact CE1-CB 3.41Å; F69-A94 VanDerWaalsContact CE1-CB 3.41Å; F69-A94 HydrophobicContact CE2-CB 4.28Å; F69-A94 HydrophobicContact CZ-CB 3.52Å; F69-L98 HydrophobicContact CE2-CD1 3.93Å; F69-L98 HydrophobicContact CZ-CD1 3.75Å
70I98.6Very high98.3Very high55 Ų5527 Ų2728%0.28213%0.129SC..Iπ-helixtrans-92.2-47.5-179.1-59-176.5000110V66 F74 I220 F224V66-I70 HydrophobicContact CG1-CB 4.01Å; V66-I70 HydrophobicContact CG1-CD1 4.01Å; V66-I70 HydrophobicContact CG1-CG1 4.25Å; V66-I70 WeakPolarHBondContact O-CA 3.41Å; V66-I70 WeakPolarHBondContact O-CB 3.41Å; V66-I70 PolarHBondContact O-N 2.94Å; I70-F74 HydrophobicContact CG2-CD2 3.98Å; I70-F74 VanDerWaalsContact O-CB 3.31Å; I70-F74 WeakPolarHBondContact O-CB 3.43Å; I70-F74 PolarHBondContact O-N 3.01Å; I70-I220 HydrophobicContact CG2-CG2 4.06Å; I70-F224 HydrophobicContact CG2-CB 4.28Å; I70-F224 HydrophobicContact CG2-CD2 3.65Å; I70-F224 HydrophobicContact CG2-CE2 4.11Å; I70-F224 HydrophobicContact CG2-CG 3.93Å
71G98.8Very high98.4Very high0 Ų030.4 Ų30.40%014%0.143CC..Iπ-helixtrans-55.8-72.5-176.800000113V66 M67 L75 G221V66-G71 PolarHBondContact O-N 3.42Å; M67-G71 CarbonylContact O-C 3.57Å; M67-G71 WeakPolarHBondContact O-CA 3.42Å; M67-G71 PolarHBondContact O-N 3.37Å; G71-L75 WeakPolarHBondContact O-CB 3.34Å; G71-L75 PolarHBondContact O-N 3.05Å; G71-G221 WeakPolarHBondContact O-CA 3.44Å
72F98.3Very high98.4Very high9 Ų929.7 Ų29.74%0.03914%0.14CC..Iπ-helixtrans-61-46.1176.7-79.6-80.2000112M67 F74 L75 M76 A130 L133 I134 L225 H341M67-F72 WeakPolarHBondContact O-CD2 3.46Å; M67-F72 PolarHBondContact O-N 3.22Å; F72-F74 PolarHBondContact O-N 3Å; F72-L75 PolarHBondContact O-N 3.04Å; F72-M76 HydrophobicContact CB-CE 4.2Å; F72-M76 VanDerWaalsContact O-CE 3.23Å; F72-M76 WeakPolarHBondContact O-CE 3.49Å; F72-M76 PolarHBondContact O-N 2.95Å; F72-A130 HydrophobicContact CE2-CB 4.26Å; F72-L133 HydrophobicContact CB-CB 4.18Å; F72-L133 HydrophobicContact CB-CD1 3.87Å; F72-L133 HydrophobicContact CD1-CB 3.91Å; F72-L133 HydrophobicContact CD2-CB 4.34Å; F72-L133 HydrophobicContact CD2-CD1 4.14Å; F72-L133 HydrophobicContact CE1-CB 4.38Å; F72-L133 HydrophobicContact CG-CB 3.89Å; F72-L133 HydrophobicContact CG-CD1 4.08Å; F72-I134 HydrophobicContact CE1-CG1 3.72Å; F72-I134 HydrophobicContact CZ-CD1 4.39Å; F72-I134 HydrophobicContact CZ-CG1 3.8Å; F72-L225 HydrophobicContact CD2-CD2 4.18Å; F72-L225 HydrophobicContact CE2-CD2 4.21Å; F72-H341 AromaticContact CE1-NE2 3.9Å
73G98Very high98.4Very high0 Ų026.6 Ų26.60%013%0.132CC..Hα-helixtrans-55.3-49.9-176.300000113.1T77 N90G73-T77 WeakPolarHBondContact O-CG2 3.23Å; G73-N90 VanDerWaalsContact CA-CG 3.48Å
74F98.7Very high98.4Very high57 Ų5729.2 Ų29.225%0.2514%0.141CC..Hα-helixtrans-79.2-34.5177.9-81.3-92.7000113I70 F72 M76 T77 V87 F217 A218 I220I70-F74 HydrophobicContact CG2-CD2 3.98Å; I70-F74 VanDerWaalsContact O-CB 3.31Å; I70-F74 WeakPolarHBondContact O-CB 3.43Å; I70-F74 PolarHBondContact O-N 3.01Å; F72-F74 PolarHBondContact O-N 3Å; F74-M76 PolarHBondContact O-N 3.44Å; F74-M76 VanDerWaalsContact O-N 3.14Å; F74-T77 HydrophobicContact CD1-CG2 4.46Å; F74-T77 WeakPolarHBondContact O-CB 3.46Å; F74-T77 PolarHBondContact O-N 2.8Å; F74-T77 PolarHBondContact O-OG1 3.47Å; F74-V87 HydrophobicContact CD2-CG2 4.32Å; F74-V87 HydrophobicContact CE2-CG2 4.09Å; F74-F217 HydrophobicContact CD1-CB 4.33Å; F74-F217 HydrophobicContact CD1-CD1 4.02Å; F74-F217 AromaticContact CE1-CD1 3.8Å; F74-F217 HydrophobicContact CE1-CD1 3.8Å; F74-F217 HydrophobicContact CE1-CE1 4.35Å; F74-A218 VanDerWaalsContact O-CA 3.28Å; F74-A218 WeakPolarHBondContact O-CA 3.37Å; F74-I220 HydrophobicContact CB-CB 4.3Å; F74-I220 HydrophobicContact CD1-CB 4.46Å; F74-I220 HydrophobicContact CD1-CD1 4.42Å; F74-I220 HydrophobicContact CG-CB 4.44Å; F74-I220 HydrophobicContact CG-CG2 4.38Å
75L98.6Very high98.4Very high10 Ų1029.2 Ų29.25%0.05214%0.141CC..Hα-helixtrans-53.7-39.1178.217764000111.5G71 F72 T77 A218 T222 L225 Q280 L284G71-L75 WeakPolarHBondContact O-CB 3.34Å; G71-L75 PolarHBondContact O-N 3.05Å; F72-L75 PolarHBondContact O-N 3.04Å; L75-T77 VanDerWaalsContact C-N 3.26Å; L75-T77 PolarHBondContact O-N 3.42Å; L75-A218 WeakPolarHBondContact O-CB 3.45Å; L75-T222 WeakPolarHBondContact CD1-OG1 3.28Å; L75-L225 HydrophobicContact CB-CD1 4.3Å; L75-L225 HydrophobicContact CD2-CD1 3.72Å; L75-Q280 HydrophobicContact CD1-CB 4.02Å; L75-L284 HydrophobicContact CD2-CD1 4.29Å
76M98.5Very high98.3Very high5 Ų526.4 Ų26.43%0.02513%0.128CC..G310 helixtrans-76.2-6179.2-68.5-174.9-74.200114.4F72 F74 F78 S86 N90 F136 L140F72-M76 HydrophobicContact CB-CE 4.2Å; F72-M76 VanDerWaalsContact O-CE 3.23Å; F72-M76 WeakPolarHBondContact O-CE 3.49Å; F72-M76 PolarHBondContact O-N 2.95Å; F74-M76 PolarHBondContact O-N 3.44Å; F74-M76 VanDerWaalsContact O-N 3.14Å; M76-F78 PolarHBondContact O-N 3.25Å; M76-S86 VanDerWaalsContact O-CB 3.32Å; M76-S86 WeakPolarHBondContact O-CB 3.29Å; M76-S86 PolarHBondContact O-OG 3.18Å; M76-N90 HydrophobicContact CE-CB 4.14Å; M76-N90 VanDerWaalsContact CE-OD1 3.29Å; M76-N90 WeakPolarHBondContact CE-OD1 3.19Å; M76-F136 HydrophobicContact CE-CD1 3.6Å; M76-F136 HydrophobicContact CE-CE1 3.74Å; M76-F136 HydrophobicContact SD-CD1 3.66Å; M76-F136 HydrophobicContact SD-CE1 3.89Å; M76-F136 HydrophobicContact SD-CG 4.31Å; M76-L140 HydrophobicContact CB-CD2 3.79Å; M76-L140 HydrophobicContact CG-CD2 4.07Å; M76-L140 HydrophobicContact SD-CD1 4.27Å; M76-L140 HydrophobicContact SD-CD2 4.33Å
77T98.4Very high98.3Very high11 Ų1126.8 Ų26.87%0.06713%0.131CC..G310 helixtrans-77.63.7179.764.30000113.9G73 F74 L75 L79 V87 S214 F217G73-T77 WeakPolarHBondContact O-CG2 3.23Å; F74-T77 HydrophobicContact CD1-CG2 4.46Å; F74-T77 WeakPolarHBondContact O-CB 3.46Å; F74-T77 PolarHBondContact O-N 2.8Å; F74-T77 PolarHBondContact O-OG1 3.47Å; L75-T77 VanDerWaalsContact C-N 3.26Å; L75-T77 PolarHBondContact O-N 3.42Å; T77-L79 PolarHBondContact O-N 3.32Å; T77-V87 HydrophobicContact CG2-CB 4.19Å; T77-S214 WeakPolarHBondContact O-CB 3.3Å; T77-F217 WeakPolarHBondContact OG1-CB 3.39Å
78F98.4Very high98.3Very high22 Ų2227.7 Ų27.710%0.09614%0.141CC..G310 helixtrans-59-29.8176.780-85.9000112.4M76 K80 L140 S210 S214 A218 T334M76-F78 PolarHBondContact O-N 3.25Å; F78-K80 PolarHBondContact O-N 2.97Å; F78-L140 HydrophobicContact CE1-CD2 4.37Å; F78-S210 WeakPolarHBondContact O-CA 3.33Å; F78-S210 WeakPolarHBondContact O-CB 3.47Å; F78-S214 WeakPolarHBondContact O-CB 3.25Å; F78-S214 PolarHBondContact O-OG 2.99Å; F78-A218 HydrophobicContact CB-CB 3.79Å; F78-T334 HydrophobicContact CZ-CG2 4.26Å
79L98.1Very high98.3Very high2 Ų227.9 Ų27.91%0.0114%0.142CC..SBendtrans-65113.5177.1-73.3174.1000111.6T77 K81 Y82 L140 T334 F405T77-L79 PolarHBondContact O-N 3.32Å; L79-K81 PolarHBondContact O-N 2.7Å; L79-Y82 HydrophobicContact CD1-CD1 4.03Å; L79-Y82 HydrophobicContact CD1-CG 4.21Å; L79-Y82 PolarHBondContact O-N 2.95Å; L79-L140 HydrophobicContact CD1-CD2 3.63Å; L79-L140 HydrophobicContact CD1-CG 3.85Å; L79-L140 HydrophobicContact CG-CD2 4.48Å; L79-T334 HydrophobicContact CD1-CG2 4.03Å; L79-T334 HydrophobicContact CD2-CG2 4.47Å; L79-F405 HydrophobicContact CD1-CD1 3.88Å; L79-F405 HydrophobicContact CD2-CD1 4.12Å
80K96.8Very high98.3Very high73 Ų7325.8 Ų25.832%0.31713%0.132SC..THydrogen-bonded Turntrans-58.1-22.8-170.466.4-174.5174.7-175.20116.2F78 E206 G209 V211F78-K80 PolarHBondContact O-N 2.97Å; K80-E206 WeakPolarHBondContact CE-O 3.36Å; K80-E206 PolarHBondContact NZ-O 3.42Å; K80-G209 WeakPolarHBondContact CG-O 3.1Å; K80-G209 PolarHBondContact N-O 3.41Å; K80-V211 HydrophobicContact CB-CB 4.3Å; K80-V211 HydrophobicContact CB-CG1 3.84Å; K80-V211 HydrophobicContact CB-CG2 3.73Å; K80-V211 HydrophobicContact CD-CG1 3.9Å
81K97.3Very high98.3Very high107 Ų10727.8 Ų27.847%0.46514%0.143SC..THydrogen-bonded Turntrans-124.516.5179.3-74.5-163.7-178.7176.70113.6L79 F405 D406 D407L79-K81 PolarHBondContact O-N 2.7Å; K81-F405 CarbonylContact C-O 3.48Å; K81-F405 WeakPolarHBondContact CB-O 3.18Å; K81-D406 CarbonylContact O-C 3.49Å; K81-D406 WeakPolarHBondContact O-CA 3.4Å; K81-D407 PolarHBondContact O-N 2.75Å
82Y98.4Very high98.3Very high3 Ų330.1 Ų30.11%0.01216%0.155CC..  trans-129.818.3-177.4-150.9-109.5000112.9L79 F84 S85 S86 L140 G141 F405 D407L79-Y82 HydrophobicContact CD1-CD1 4.03Å; L79-Y82 HydrophobicContact CD1-CG 4.21Å; L79-Y82 PolarHBondContact O-N 2.95Å; Y82-F84 PolarHBondContact O-N 3.44Å; Y82-S85 WeakPolarHBondContact CE2-OG 3.48Å; Y82-S85 PolarHBondContact O-N 2.88Å; Y82-S86 WeakPolarHBondContact O-CB 3.46Å; Y82-S86 PolarHBondContact O-N 3.01Å; Y82-S86 PolarHBondContact O-OG 3.21Å; Y82-L140 HydrophobicContact CD1-CD1 3.88Å; Y82-L140 HydrophobicContact CD1-CG 4.14Å; Y82-L140 HydrophobicContact CE1-CD1 3.69Å; Y82-L140 HydrophobicContact CE1-CG 4.2Å; Y82-G141 VanDerWaalsContact CE1-N 3.34Å; Y82-G141 VanDerWaalsContact CZ-CA 3.48Å; Y82-F405 VanDerWaalsContact CD2-C 3.49Å; Y82-D407 WeakPolarHBondContact CA-OD1 3.48Å; Y82-D407 VanDerWaalsContact CA-OD2 3.27Å; Y82-D407 WeakPolarHBondContact CA-OD2 3.47Å
83G97.9Very high98.3Very high22 Ų2229.7 Ų29.723%0.22715%0.154CC..Hα-helixtrans-62.7-39.9-175.700000113.6S86 V87 D407G83-S86 PolarHBondContact O-N 3.48Å; G83-V87 WeakPolarHBondContact O-CG1 3.43Å; G83-V87 PolarHBondContact O-N 2.85Å; G83-D407 PolarHBondContact N-OD2 3.24Å
84F98.4Very high98.4Very high92 Ų9229.7 Ų29.740%0.40415%0.154SC..Hα-helixtrans-67.6-44.9179.2-68.62.2000110.6Y82 G88 D407 W411 P414Y82-F84 PolarHBondContact O-N 3.44Å; F84-G88 VanDerWaalsContact O-CA 3.23Å; F84-G88 WeakPolarHBondContact O-CA 3.29Å; F84-G88 PolarHBondContact O-N 3.42Å; F84-D407 HydrophobicContact CB-CB 4.35Å; F84-D407 PolarHBondContact N-OD2 3.3Å; F84-W411 HydrophobicContact CB-CD2 3.9Å; F84-W411 HydrophobicContact CB-CE3 4.46Å; F84-W411 HydrophobicContact CB-CG 3.98Å; F84-W411 HydrophobicContact CB-CZ2 4.46Å; F84-W411 HydrophobicContact CD2-CB 4.01Å; F84-W411 HydrophobicContact CD2-CD2 4.32Å; F84-W411 HydrophobicContact CD2-CE3 4.49Å; F84-W411 HydrophobicContact CD2-CG 4.11Å; F84-W411 WeakPolarHBondContact O-CZ2 3.27Å; F84-P414 HydrophobicContact CZ-CG 4.41Å
85S98.6Very high98.4Very high0 Ų029.2 Ų29.20%016%0.16CC..Hα-helixtrans-66.2-40177.3-62.20000111.6Y82 I89 D407 W411Y82-S85 WeakPolarHBondContact CE2-OG 3.48Å; Y82-S85 PolarHBondContact O-N 2.88Å; S85-I89 WeakPolarHBondContact O-CA 3.4Å; S85-I89 WeakPolarHBondContact O-CB 3.41Å; S85-I89 VanDerWaalsContact O-CG1 3.3Å; S85-I89 WeakPolarHBondContact O-CG1 3.45Å; S85-I89 PolarHBondContact O-N 3.3Å; S85-D407 WeakPolarHBondContact CB-OD1 3.46Å; S85-D407 PolarHBondContact N-OD1 2.81Å; S85-D407 PolarHBondContact OG-OD1 2.84Å; S85-W411 PolarHBondContact OG-NE1 2.95Å
86S98.1Very high98.4Very high0 Ų029.3 Ų29.30%016%0.16CC..Hα-helixtrans-56.7-59.9176.4-69.90000111.7M76 Y82 G83 N90M76-S86 VanDerWaalsContact O-CB 3.32Å; M76-S86 WeakPolarHBondContact O-CB 3.29Å; M76-S86 PolarHBondContact O-OG 3.18Å; Y82-S86 WeakPolarHBondContact O-CB 3.46Å; Y82-S86 PolarHBondContact O-N 3.01Å; Y82-S86 PolarHBondContact O-OG 3.21Å; G83-S86 PolarHBondContact O-N 3.48Å; S86-N90 WeakPolarHBondContact O-CB 3.36Å; S86-N90 PolarHBondContact O-N 3.39Å
87V98.4Very high98.4Very high48 Ų4829 Ų2929%0.29116%0.159SC..Hα-helixtrans-78.5-38.2-176.172.40000112.9F74 T77 G83 L91F74-V87 HydrophobicContact CD2-CG2 4.32Å; F74-V87 HydrophobicContact CE2-CG2 4.09Å; T77-V87 HydrophobicContact CG2-CB 4.19Å; G83-V87 WeakPolarHBondContact O-CG1 3.43Å; G83-V87 PolarHBondContact O-N 2.85Å; V87-L91 PolarHBondContact O-N 2.85Å
88G98.6Very high98.4Very high21 Ų2130 Ų3022%0.21616%0.163CC..Hα-helixtrans-74.1-39.6-17600000113.2F84 L92F84-G88 VanDerWaalsContact O-CA 3.23Å; F84-G88 WeakPolarHBondContact O-CA 3.29Å; F84-G88 PolarHBondContact O-N 3.42Å; G88-L92 PolarHBondContact O-N 3.06Å
89I98.6Very high98.5Very high4 Ų431.3 Ų31.32%0.02117%0.169CC..Hα-helixtrans-76.1-33.5173.4-56172.3000110.3S85 L91 L92 L93 F136 P145 L148 W411S85-I89 WeakPolarHBondContact O-CA 3.4Å; S85-I89 WeakPolarHBondContact O-CB 3.41Å; S85-I89 VanDerWaalsContact O-CG1 3.3Å; S85-I89 WeakPolarHBondContact O-CG1 3.45Å; S85-I89 PolarHBondContact O-N 3.3Å; I89-L91 VanDerWaalsContact C-N 3.31Å; I89-L91 PolarHBondContact O-N 3.32Å; I89-L92 WeakPolarHBondContact O-CB 3.45Å; I89-L92 PolarHBondContact O-N 2.99Å; I89-L92 VanDerWaalsContact O-N 3.16Å; I89-L93 HydrophobicContact CG2-CD1 4.08Å; I89-L93 HydrophobicContact CG2-CD2 4.49Å; I89-L93 HydrophobicContact CG2-CG 3.95Å; I89-L93 WeakPolarHBondContact O-CG 3.25Å; I89-L93 PolarHBondContact O-N 3.4Å; I89-F136 HydrophobicContact CB-CZ 4.21Å; I89-F136 HydrophobicContact CG2-CZ 4.26Å; I89-P145 HydrophobicContact CD1-CG 3.91Å; I89-P145 HydrophobicContact CG1-CG 4.39Å; I89-L148 HydrophobicContact CD1-CD1 4.43Å; I89-L148 HydrophobicContact CG2-CD1 3.6Å; I89-W411 HydrophobicContact CG1-CZ2 4.48Å
90N98.8Very high98.5Very high1 Ų132.4 Ų32.41%0.00517%0.173CC..Hα-helixtrans-54.7-48.2170.1-177.593.3000111.4I68 G73 M76 S86 L92 L93 A94 L133 F136I68-N90 PolarHBondContact O-ND2 2.96Å; G73-N90 VanDerWaalsContact CA-CG 3.48Å; M76-N90 HydrophobicContact CE-CB 4.14Å; M76-N90 VanDerWaalsContact CE-OD1 3.29Å; M76-N90 WeakPolarHBondContact CE-OD1 3.19Å; S86-N90 WeakPolarHBondContact O-CB 3.36Å; S86-N90 PolarHBondContact O-N 3.39Å; N90-L92 VanDerWaalsContact C-N 3.34Å; N90-L92 PolarHBondContact O-N 3.19Å; N90-L93 PolarHBondContact O-N 3.39Å; N90-A94 VanDerWaalsContact O-CB 3.24Å; N90-A94 WeakPolarHBondContact O-CB 3.3Å; N90-A94 PolarHBondContact O-N 3.46Å; N90-L133 WeakPolarHBondContact OD1-CD1 3.44Å; N90-L133 VanDerWaalsContact OD1-CD2 3.26Å; N90-L133 WeakPolarHBondContact OD1-CD2 3.34Å; N90-F136 HydrophobicContact CB-CE1 4.42Å
91L98.8Very high98.6Very high97 Ų9728.9 Ų28.951%0.50816%0.158SC..Hα-helixtrans-56.6-46.2175.217462.2000112F69 V87 I89 A95F69-L91 HydrophobicContact CD1-CD1 3.63Å; F69-L91 HydrophobicContact CE1-CD1 3.56Å; V87-L91 PolarHBondContact O-N 2.85Å; I89-L91 VanDerWaalsContact C-N 3.31Å; I89-L91 PolarHBondContact O-N 3.32Å; L91-A95 VanDerWaalsContact O-CB 3.27Å; L91-A95 WeakPolarHBondContact O-CB 3.2Å; L91-A95 PolarHBondContact O-N 3.34Å
92L98.8Very high98.6Very high49 Ų4924.2 Ų24.226%0.25714%0.138SC..Hα-helixtrans-60-50.9177.1171.871.1000112F12 G88 I89 N90 A94 A95 F96 P145 L149F12-L92 HydrophobicContact CE2-CD1 4.49Å; F12-L92 HydrophobicContact CE2-CD2 3.58Å; F12-L92 HydrophobicContact CZ-CD1 4.19Å; F12-L92 HydrophobicContact CZ-CD2 3.79Å; G88-L92 PolarHBondContact O-N 3.06Å; I89-L92 WeakPolarHBondContact O-CB 3.45Å; I89-L92 PolarHBondContact O-N 2.99Å; I89-L92 VanDerWaalsContact O-N 3.16Å; N90-L92 VanDerWaalsContact C-N 3.34Å; N90-L92 PolarHBondContact O-N 3.19Å; L92-A94 VanDerWaalsContact C-N 3.33Å; L92-A95 PolarHBondContact O-N 3.37Å; L92-F96 PolarHBondContact O-N 3.16Å; L92-F96 VanDerWaalsContact O-N 3.13Å; L92-P145 HydrophobicContact CD2-CB 4.34Å; L92-L149 HydrophobicContact CD1-CD2 4.44Å; L92-L149 HydrophobicContact CD2-CD1 4.46Å; L92-L149 HydrophobicContact CD2-CD2 4.37Å; L92-L149 HydrophobicContact CD2-CG 4.34Å; L92-L149 HydrophobicContact CG-CD2 4.21Å
93L98.9Very high98.6Very high0 Ų024.3 Ų24.30%014%0.139CC..Hα-helixtrans-66.1-39.3-177.4-64179.1000111.3I89 N90 G97 L133 F136 L148 L149 T152I89-L93 HydrophobicContact CG2-CD1 4.08Å; I89-L93 HydrophobicContact CG2-CD2 4.49Å; I89-L93 HydrophobicContact CG2-CG 3.95Å; I89-L93 WeakPolarHBondContact O-CG 3.25Å; I89-L93 PolarHBondContact O-N 3.4Å; N90-L93 PolarHBondContact O-N 3.39Å; L93-G97 WeakPolarHBondContact O-CA 3.39Å; L93-G97 PolarHBondContact O-N 3.25Å; L93-L133 HydrophobicContact CB-CD2 4.21Å; L93-F136 HydrophobicContact CD1-CB 4.27Å; L93-F136 HydrophobicContact CD1-CD1 4.02Å; L93-F136 HydrophobicContact CD1-CD2 4.42Å; L93-F136 HydrophobicContact CD1-CE1 4.49Å; L93-F136 HydrophobicContact CD1-CG 3.99Å; L93-L148 HydrophobicContact CD1-CB 3.98Å; L93-L148 HydrophobicContact CD1-CD1 4.45Å; L93-L148 HydrophobicContact CD1-CD2 4.37Å; L93-L148 HydrophobicContact CD1-CG 4.49Å; L93-L148 HydrophobicContact CD2-CB 3.63Å; L93-L148 HydrophobicContact CG-CB 4.32Å; L93-L149 HydrophobicContact CD2-CD2 4.27Å; L93-T152 VanDerWaalsContact CD2-OG1 3.24Å; L93-T152 WeakPolarHBondContact CD2-OG1 3.36Å
94A98.8Very high98.7Very high0 Ų024.4 Ų24.40%013%0.134CC..Hα-helixtrans-66.3-46.7176.300000111.7I68 F69 N90 L92 F96 G97 L98 T129I68-A94 HydrophobicContact CG2-CB 3.57Å; F69-A94 HydrophobicContact CD1-CB 4.11Å; F69-A94 HydrophobicContact CE1-CB 3.41Å; F69-A94 VanDerWaalsContact CE1-CB 3.41Å; F69-A94 HydrophobicContact CE2-CB 4.28Å; F69-A94 HydrophobicContact CZ-CB 3.52Å; N90-A94 VanDerWaalsContact O-CB 3.24Å; N90-A94 WeakPolarHBondContact O-CB 3.3Å; N90-A94 PolarHBondContact O-N 3.46Å; L92-A94 VanDerWaalsContact C-N 3.33Å; A94-F96 VanDerWaalsContact C-N 3.29Å; A94-F96 PolarHBondContact O-N 3.36Å; A94-G97 PolarHBondContact O-N 2.96Å; A94-G97 VanDerWaalsContact O-N 3.16Å; A94-L98 WeakPolarHBondContact O-CG 3.48Å; A94-L98 PolarHBondContact O-N 3.02Å; A94-T129 HydrophobicContact CB-CG2 3.87Å
95A98.9Very high98.6Very high46 Ų4620.5 Ų20.538%0.3812%0.117SC..Hα-helixtrans-58.1-40.2178.500000113L91 L92 Q99L91-A95 VanDerWaalsContact O-CB 3.27Å; L91-A95 WeakPolarHBondContact O-CB 3.2Å; L91-A95 PolarHBondContact O-N 3.34Å; L92-A95 PolarHBondContact O-N 3.37Å; A95-Q99 PolarHBondContact O-NE2 3.36Å
96F98.9Very high98.5Very high12 Ų1220.7 Ų20.75%0.05312%0.119CC..Hα-helixtrans-75-43174.1176-122.1000112.2L19 L92 A94 L98 Q99 W100 L149 T152 I153L19-F96 HydrophobicContact CB-CE2 4.02Å; L19-F96 HydrophobicContact CB-CZ 4.32Å; L19-F96 HydrophobicContact CD1-CE1 4.28Å; L19-F96 HydrophobicContact CD1-CZ 4.19Å; L19-F96 HydrophobicContact CD2-CZ 4.08Å; L19-F96 HydrophobicContact CG-CZ 4.43Å; L92-F96 PolarHBondContact O-N 3.16Å; L92-F96 VanDerWaalsContact O-N 3.13Å; A94-F96 VanDerWaalsContact C-N 3.29Å; A94-F96 PolarHBondContact O-N 3.36Å; F96-L98 VanDerWaalsContact C-N 3.33Å; F96-L98 PolarHBondContact O-N 2.79Å; F96-Q99 PolarHBondContact O-N 3.48Å; F96-W100 HydrophobicContact CE1-CB 4.49Å; F96-W100 HydrophobicContact CE2-CB 4.15Å; F96-W100 HydrophobicContact CZ-CB 4.07Å; F96-W100 HydrophobicContact CZ-CD2 4.42Å; F96-W100 HydrophobicContact CZ-CG 4.15Å; F96-W100 PolarHBondContact O-N 2.85Å; F96-L149 HydrophobicContact CB-CD2 4.21Å; F96-L149 HydrophobicContact CD1-CD2 3.89Å; F96-L149 HydrophobicContact CG-CD2 4.23Å; F96-T152 HydrophobicContact CD1-CG2 3.6Å; F96-T152 HydrophobicContact CE1-CG2 3.98Å; F96-I153 HydrophobicContact CE1-CB 4.06Å; F96-I153 HydrophobicContact CZ-CB 4.23Å
97G98.9Very high98.4Very high0 Ų024.2 Ų24.20%014%0.137CC..Hα-helixtrans-58.4-41-178.400000113.1L93 A94 Q99 W100 G101 T129L93-G97 WeakPolarHBondContact O-CA 3.39Å; L93-G97 PolarHBondContact O-N 3.25Å; A94-G97 PolarHBondContact O-N 2.96Å; A94-G97 VanDerWaalsContact O-N 3.16Å; G97-Q99 VanDerWaalsContact C-N 3.34Å; G97-Q99 PolarHBondContact O-N 3.49Å; G97-W100 PolarHBondContact O-N 2.98Å; G97-G101 WeakPolarHBondContact O-CA 3.08Å; G97-G101 PolarHBondContact O-N 2.78Å; G97-T129 PolarHBondContact O-OG1 3.1Å
98L98.8Very high98.2Very high31 Ų3127.3 Ų27.316%0.16214%0.144CC..Hα-helixtrans-60.6-43.6177.3-67170.3000112.1F69 A94 F96 L102 A125 D126 T129F69-L98 HydrophobicContact CE2-CD1 3.93Å; F69-L98 HydrophobicContact CZ-CD1 3.75Å; A94-L98 WeakPolarHBondContact O-CG 3.48Å; A94-L98 PolarHBondContact O-N 3.02Å; F96-L98 VanDerWaalsContact C-N 3.33Å; F96-L98 PolarHBondContact O-N 2.79Å; L98-L102 WeakPolarHBondContact O-CB 3.32Å; L98-L102 PolarHBondContact O-N 3.09Å; L98-A125 HydrophobicContact CD2-CB 4.44Å; L98-A125 WeakPolarHBondContact O-CB 3.31Å; L98-D126 HydrophobicContact CD2-CB 4.15Å; L98-D126 VanDerWaalsContact CD2-CG 3.48Å; L98-D126 VanDerWaalsContact CD2-OD1 3.32Å; L98-D126 WeakPolarHBondContact CD2-OD1 3.49Å; L98-T129 PolarHBondContact N-OG1 2.97Å; L98-T129 VanDerWaalsContact N-OG1 3.17Å
99Q98.8Very high97.9Very high49 Ų4930.7 Ų30.723%0.22915%0.153CC..Hα-helixtrans-70.5-46.1-179.9-58.1-17871.100111E20 T23 F27 A95 F96 G97 L102 L103E20-Q99 PolarHBondContact OE2-NE2 2.8Å; E20-Q99 VanDerWaalsContact OE2-NE2 3.07Å; T23-Q99 HydrophobicContact CG2-CB 3.6Å; T23-Q99 HydrophobicContact CG2-CG 4.41Å; F27-Q99 HydrophobicContact CE2-CB 3.98Å; F27-Q99 WeakPolarHBondContact CE2-O 3.49Å; F27-Q99 HydrophobicContact CZ-CB 4.13Å; A95-Q99 PolarHBondContact O-NE2 3.36Å; F96-Q99 PolarHBondContact O-N 3.48Å; G97-Q99 VanDerWaalsContact C-N 3.34Å; G97-Q99 PolarHBondContact O-N 3.49Å; Q99-L102 PolarHBondContact O-N 3.15Å; Q99-L103 PolarHBondContact O-N 2.96Å
100W98.8Very high97.6Very high25 Ų2533.9 Ų33.910%0.09517%0.17CC..Hα-helixtrans-69.7-38.1-177.9-170.5-112.5000112.5L26 F96 G97 L103 M104 I153 I156 T157L26-W100 HydrophobicContact CD1-CH2 4.38Å; L26-W100 HydrophobicContact CD1-CZ3 3.77Å; F96-W100 HydrophobicContact CE1-CB 4.49Å; F96-W100 HydrophobicContact CE2-CB 4.15Å; F96-W100 HydrophobicContact CZ-CB 4.07Å; F96-W100 HydrophobicContact CZ-CD2 4.42Å; F96-W100 HydrophobicContact CZ-CG 4.15Å; F96-W100 PolarHBondContact O-N 2.85Å; G97-W100 PolarHBondContact O-N 2.98Å; W100-L103 HydrophobicContact CE3-CD1 4.03Å; W100-L103 HydrophobicContact CZ3-CD1 4.25Å; W100-L103 PolarHBondContact O-N 2.89Å; W100-M104 HydrophobicContact CD2-CE 4.3Å; W100-M104 HydrophobicContact CD2-CG 4.13Å; W100-M104 HydrophobicContact CE3-CE 4.29Å; W100-M104 HydrophobicContact CG-CG 4.32Å; W100-M104 HydrophobicContact CH2-CE 3.49Å; W100-M104 VanDerWaalsContact CH2-CE 3.49Å; W100-M104 HydrophobicContact CH2-SD 4.17Å; W100-M104 HydrophobicContact CZ2-CE 3.47Å; W100-M104 VanDerWaalsContact CZ2-CE 3.47Å; W100-M104 HydrophobicContact CZ2-CG 3.95Å; W100-M104 HydrophobicContact CZ2-SD 3.52Å; W100-M104 VanDerWaalsContact CZ2-SD 3.52Å; W100-M104 HydrophobicContact CZ3-CE 3.92Å; W100-M104 WeakPolarHBondContact O-CB 3.44Å; W100-M104 WeakPolarHBondContact O-CG 3.33Å; W100-M104 PolarHBondContact O-N 3.49Å; W100-I153 HydrophobicContact CD2-CG1 4.31Å; W100-I153 HydrophobicContact CH2-CD1 4.33Å; W100-I153 HydrophobicContact CH2-CG1 4.48Å; W100-I153 HydrophobicContact CZ2-CD1 4.06Å; W100-I153 HydrophobicContact CZ2-CG1 3.74Å; W100-I153 PolarHBondContact NE1-O 2.85Å; W100-I156 HydrophobicContact CG-CG2 4.43Å; W100-T157 PolarHBondContact NE1-OG1 2.83Å
101G98.5Very high97.2Very high0 Ų036 Ų360%018%0.182CC..Hα-helixtrans-60.2-48.2173.800000111.9G97 L103 M104 Q105 S128G97-G101 WeakPolarHBondContact O-CA 3.08Å; G97-G101 PolarHBondContact O-N 2.78Å; G101-L103 VanDerWaalsContact C-N 3.28Å; G101-L103 PolarHBondContact O-N 2.84Å; G101-M104 PolarHBondContact O-N 3.45Å; G101-Q105 WeakPolarHBondContact O-CB 3.33Å; G101-Q105 WeakPolarHBondContact O-CG 3.44Å; G101-Q105 PolarHBondContact O-N 3.03Å; G101-Q105 PolarHBondContact O-OE1 2.86Å; G101-S128 WeakPolarHBondContact CA-OG 3.11Å
102L98.5Very high96.8Very high9 Ų938.5 Ų38.55%0.04720%0.195CC..Hα-helixtrans-56.7-42.8176.1-170.9152.6000112F27 V31 L98 Q99 G106 I115 M117 A125F27-L102 HydrophobicContact CE1-CD2 4.03Å; F27-L102 HydrophobicContact CZ-CB 4.32Å; F27-L102 HydrophobicContact CZ-CD2 3.89Å; F27-L102 HydrophobicContact CZ-CG 4.47Å; V31-L102 HydrophobicContact CG1-CD2 4.07Å; V31-L102 HydrophobicContact CG2-CD2 3.87Å; L98-L102 WeakPolarHBondContact O-CB 3.32Å; L98-L102 PolarHBondContact O-N 3.09Å; Q99-L102 PolarHBondContact O-N 3.15Å; L102-G106 WeakPolarHBondContact O-CA 3.31Å; L102-G106 PolarHBondContact O-N 2.94Å; L102-I115 HydrophobicContact CD2-CG2 4.09Å; L102-M117 HydrophobicContact CD1-CE 3.65Å; L102-M117 HydrophobicContact CD1-CG 3.9Å; L102-M117 HydrophobicContact CD1-SD 3.7Å; L102-A125 HydrophobicContact CB-CB 4.14Å
103L98.6Very high96.5Very high4 Ų438.1 Ų38.12%0.02120%0.203CC..Hα-helixtrans-64.3-57.6174.6-72.7169.9000111.3T23 L26 F27 V31 Q99 W100 G101 Q105 G106 L107 I115T23-L103 HydrophobicContact CG2-CD1 4.1Å; L26-L103 HydrophobicContact CB-CD1 3.8Å; L26-L103 HydrophobicContact CB-CD2 4.04Å; L26-L103 HydrophobicContact CD1-CD1 4.06Å; F27-L103 HydrophobicContact CD2-CD1 3.75Å; F27-L103 HydrophobicContact CD2-CD2 3.81Å; F27-L103 HydrophobicContact CD2-CG 3.78Å; F27-L103 HydrophobicContact CE2-CD1 3.65Å; F27-L103 HydrophobicContact CE2-CD2 3.94Å; F27-L103 HydrophobicContact CE2-CG 3.48Å; F27-L103 VanDerWaalsContact CE2-CG 3.48Å; F27-L103 HydrophobicContact CZ-CG 4.38Å; V31-L103 HydrophobicContact CG2-CD2 3.74Å; Q99-L103 PolarHBondContact O-N 2.96Å; W100-L103 HydrophobicContact CE3-CD1 4.03Å; W100-L103 HydrophobicContact CZ3-CD1 4.25Å; W100-L103 PolarHBondContact O-N 2.89Å; G101-L103 VanDerWaalsContact C-N 3.28Å; G101-L103 PolarHBondContact O-N 2.84Å; L103-Q105 PolarHBondContact O-N 2.8Å; L103-G106 PolarHBondContact O-N 3.38Å; L103-L107 VanDerWaalsContact O-CG 3.31Å; L103-L107 WeakPolarHBondContact O-CG 3.45Å; L103-L107 PolarHBondContact O-N 3.26Å; L103-I115 HydrophobicContact CD2-CD1 4.28Å
104M98.5Very high96.4Very high24 Ų2441.6 Ų41.612%0.11822%0.218CC..Hα-helixtrans-64.3-38-171.6-69-55.999.400112.7W100 G101 L107 I156 T157 S160W100-M104 HydrophobicContact CD2-CE 4.3Å; W100-M104 HydrophobicContact CD2-CG 4.13Å; W100-M104 HydrophobicContact CE3-CE 4.29Å; W100-M104 HydrophobicContact CG-CG 4.32Å; W100-M104 HydrophobicContact CH2-CE 3.49Å; W100-M104 VanDerWaalsContact CH2-CE 3.49Å; W100-M104 HydrophobicContact CH2-SD 4.17Å; W100-M104 HydrophobicContact CZ2-CE 3.47Å; W100-M104 VanDerWaalsContact CZ2-CE 3.47Å; W100-M104 HydrophobicContact CZ2-CG 3.95Å; W100-M104 HydrophobicContact CZ2-SD 3.52Å; W100-M104 VanDerWaalsContact CZ2-SD 3.52Å; W100-M104 HydrophobicContact CZ3-CE 3.92Å; W100-M104 WeakPolarHBondContact O-CB 3.44Å; W100-M104 WeakPolarHBondContact O-CG 3.33Å; W100-M104 PolarHBondContact O-N 3.49Å; G101-M104 PolarHBondContact O-N 3.45Å; M104-L107 HydrophobicContact CE-CD1 3.7Å; M104-L107 HydrophobicContact SD-CD1 4.3Å; M104-I156 HydrophobicContact CB-CG2 4.11Å; M104-I156 HydrophobicContact CG-CG2 4.15Å; M104-T157 HydrophobicContact SD-CG2 4.29Å; M104-S160 VanDerWaalsContact C-OG 3.27Å; M104-S160 PolarHBondContact O-OG 3.39Å
105Q97.2Very high96.3Very high11 Ų1141.6 Ų41.65%0.05122%0.218CC..Hα-helixtrans-76.6-36.6176-62.3173.5-8700110.9G101 L103 L107 W108 H109 N124 S128 E163G101-Q105 WeakPolarHBondContact O-CB 3.33Å; G101-Q105 WeakPolarHBondContact O-CG 3.44Å; G101-Q105 PolarHBondContact O-N 3.03Å; G101-Q105 PolarHBondContact O-OE1 2.86Å; L103-Q105 PolarHBondContact O-N 2.8Å; Q105-L107 VanDerWaalsContact C-N 3.33Å; Q105-L107 PolarHBondContact O-N 3.33Å; Q105-W108 PolarHBondContact O-N 2.96Å; Q105-H109 PolarHBondContact O-ND1 3.14Å; Q105-N124 PolarHBondContact NE2-O 3.38Å; Q105-N124 VanDerWaalsContact OE1-C 3.32Å; Q105-N124 PolarHBondContact OE1-O 3.1Å; Q105-S128 PolarHBondContact OE1-OG 3.32Å; Q105-E163 WeakPolarHBondContact CG-OE2 3.46Å; Q105-E163 VanDerWaalsContact NE2-CD 3.32Å; Q105-E163 PolarHBondContact NE2-OE1 3.37Å; Q105-E163 PolarHBondContact NE2-OE2 3.14Å
106G95.9Very high96.2Very high4 Ų441 Ų414%0.04121%0.207CC..Hα-helixtrans-67.3-27.9178.800000114.2L102 L103 W108 H109 L110L102-G106 WeakPolarHBondContact O-CA 3.31Å; L102-G106 PolarHBondContact O-N 2.94Å; L103-G106 PolarHBondContact O-N 3.38Å; G106-W108 PolarHBondContact O-N 3.25Å; G106-H109 CarbonylContact O-C 3.41Å; G106-H109 VanDerWaalsContact O-C 3.29Å; G106-H109 PolarHBondContact O-N 2.91Å; G106-L110 PolarHBondContact O-N 2.9Å
107L95.9Very high95.9Very high73 Ų7343.1 Ų43.138%0.38222%0.218SC..G310 helixtrans-59.8-27.7176.7-76.6174.4000113.5L103 M104 Q105 H109 L110L103-L107 VanDerWaalsContact O-CG 3.31Å; L103-L107 WeakPolarHBondContact O-CG 3.45Å; L103-L107 PolarHBondContact O-N 3.26Å; M104-L107 HydrophobicContact CE-CD1 3.7Å; M104-L107 HydrophobicContact SD-CD1 4.3Å; Q105-L107 VanDerWaalsContact C-N 3.33Å; Q105-L107 PolarHBondContact O-N 3.33Å; L107-H109 VanDerWaalsContact C-N 3.3Å; L107-L110 HydrophobicContact CD2-CD1 4.44Å
108W94.9Very high95.7Very high114 Ų11445.2 Ų45.243%0.43223%0.229SC..G310 helixtrans-81.3-11.2175.3-57.2107.8000113.6Q105 G106 S160 I161 H164Q105-W108 PolarHBondContact O-N 2.96Å; G106-W108 PolarHBondContact O-N 3.25Å; W108-S160 VanDerWaalsContact CD1-OG 3.23Å; W108-S160 PolarHBondContact NE1-OG 3.34Å; W108-I161 HydrophobicContact CZ2-CG1 4.12Å; W108-H164 HydrophobicContact CD2-CB 4.03Å; W108-H164 AromaticContact CD2-CD2 3.99Å; W108-H164 AromaticContact CD2-CG 3.74Å; W108-H164 AromaticContact CE3-CD2 3.6Å; W108-H164 AromaticContact CE3-CE1 3.97Å; W108-H164 AromaticContact CE3-CG 3.8Å; W108-H164 AromaticContact CE3-NE2 3.72Å; W108-H164 HydrophobicContact CG-CB 4.13Å; W108-H164 AromaticContact CZ3-CD2 3.75Å
109H92.6Very high95.5Very high91 Ų9145 Ų4542%0.42123%0.228SC..G310 helixtrans-129.139.9-172.4-55.296.7000110.7Q105 G106 L107Q105-H109 PolarHBondContact O-ND1 3.14Å; G106-H109 CarbonylContact O-C 3.41Å; G106-H109 VanDerWaalsContact O-C 3.29Å; G106-H109 PolarHBondContact O-N 2.91Å; L107-H109 VanDerWaalsContact C-N 3.3Å
110L92.8Very high95.3Very high71 Ų7147 Ų4737%0.37224%0.236SC..  trans-70.6127.8176.9-69.3172.4000110.4G106 L107 K114 I115G106-L110 PolarHBondContact O-N 2.9Å; L107-L110 HydrophobicContact CD2-CD1 4.44Å; L110-K114 WeakPolarHBondContact CA-O 3.46Å; L110-I115 HydrophobicContact CD2-CD1 4.37Å; L110-I115 HydrophobicContact CD2-CG1 3.51Å
111D89.3Confident95.1Very high46 Ų4647.8 Ų47.825%0.24624%0.24CC..BIsolated β-bridgetrans-106.7118168.4167.431.4000108.5G113 K114 K116D111-G113 PolarHBondContact O-N 3.04Å; D111-G113 VanDerWaalsContact O-N 3.1Å; D111-K114 PolarHBondContact N-O 3.31Å; D111-K114 WeakPolarHBondContact O-CA 3.35Å; D111-K114 WeakPolarHBondContact O-CB 3.2Å; D111-K114 PolarHBondContact O-N 3.38Å; D111-K116 HydrophobicContact CB-CG 4.4Å; D111-K116 WeakPolarHBondContact OD2-CE 3.28Å; D111-K116 IonicContact OD2-NZ 2.8Å
112N90.3Very high95.1Very high149 Ų14950.4 Ų50.480%0.79725%0.253SS*.THydrogen-bonded Turntrans50.137.5-175.9-66.6-60.2000113.3K114N112-K114 VanDerWaalsContact C-N 3.3Å; N112-K114 PolarHBondContact O-N 3.01Å
113G93.8Very high95.1Very high41 Ų4150 Ų5042%0.42325%0.251SS..THydrogen-bonded Turntrans75.712.7-177.800000114.8D111D111-G113 PolarHBondContact O-N 3.04Å; D111-G113 VanDerWaalsContact O-N 3.1Å
114K96.7Very high95Very high73 Ų7350.9 Ų50.932%0.31726%0.256SS..BIsolated β-bridgetrans-124.5149.9179.9-61.2-62.9-172.9171.70112.7L29 F30 V32 L110 D111 N112L29-K114 PolarHBondContact O-NZ 3.13Å; F30-K114 CarbonylContact O-C 3.46Å; F30-K114 VanDerWaalsContact O-CA 3.28Å; F30-K114 WeakPolarHBondContact O-CA 3.44Å; V32-K114 HydrophobicContact CG1-CD 4.07Å; V32-K114 HydrophobicContact CG1-CG 4.33Å; V32-K114 HydrophobicContact CG2-CB 4Å; L110-K114 WeakPolarHBondContact CA-O 3.46Å; D111-K114 PolarHBondContact N-O 3.31Å; D111-K114 WeakPolarHBondContact O-CA 3.35Å; D111-K114 WeakPolarHBondContact O-CB 3.2Å; D111-K114 PolarHBondContact O-N 3.38Å; N112-K114 VanDerWaalsContact C-N 3.3Å; N112-K114 PolarHBondContact O-N 3.01Å
115I96.8Very high95Very high0 Ų049.8 Ų49.80%025%0.251CS..EExtended strand (participates in β ladder)trans-95.9106.5171.4-54.8171.6000107.1F30 V31 V32 L102 L103 L110 M117 K121F30-I115 HydrophobicContact CB-CD1 4.25Å; F30-I115 PolarHBondContact O-N 3.1Å; V31-I115 HydrophobicContact CG2-CB 4.19Å; V31-I115 HydrophobicContact CG2-CD1 4.11Å; V32-I115 PolarHBondContact N-O 3.22Å; V32-I115 VanDerWaalsContact O-O 3.12Å; L102-I115 HydrophobicContact CD2-CG2 4.09Å; L103-I115 HydrophobicContact CD2-CD1 4.28Å; L110-I115 HydrophobicContact CD2-CD1 4.37Å; L110-I115 HydrophobicContact CD2-CG1 3.51Å; I115-M117 PolarHBondContact O-N 2.77Å; I115-K121 HydrophobicContact CG2-CD 4.05Å
116K95.2Very high95.1Very high33 Ų3349.3 Ų49.314%0.14325%0.249CC..EExtended strand (participates in β ladder)trans-73.4103.4172.7-57.7-68.8-170.5146.70110.3V32 D34 D35 D111 K121V32-K116 HydrophobicContact CG2-CD 3.7Å; D34-K116 HydrophobicContact CB-CB 4.25Å; D35-K116 VanDerWaalsContact CG-NZ 3.28Å; D35-K116 IonicContact OD1-NZ 3.99Å; D35-K116 PolarHBondContact OD1-NZ 3.04Å; D35-K116 IonicContact OD2-NZ 3.75Å; D35-K116 PolarHBondContact OD2-NZ 3.49Å; D111-K116 HydrophobicContact CB-CG 4.4Å; D111-K116 WeakPolarHBondContact OD2-CE 3.28Å; D111-K116 IonicContact OD2-NZ 2.8Å; K116-K121 WeakPolarHBondContact O-CD 3.21Å; K116-K121 WeakPolarHBondContact O-CE 3.44Å; K116-K121 PolarHBondContact O-NZ 3.43Å
117M93.9Very high95.2Very high57 Ų5749.3 Ų49.328%0.28125%0.248SC..EExtended strand (participates in β ladder)trans-78.6126.4-176.6178.6170.6-17700111.4V31 V32 D34 L102 I115 M122V31-M117 HydrophobicContact CG1-CB 3.94Å; V31-M117 HydrophobicContact CG1-SD 4.35Å; V32-M117 PolarHBondContact O-N 3.37Å; D34-M117 WeakPolarHBondContact CB-O 3.31Å; D34-M117 PolarHBondContact N-O 3.01Å; D34-M117 VanDerWaalsContact N-O 3.16Å; L102-M117 HydrophobicContact CD1-CE 3.65Å; L102-M117 HydrophobicContact CD1-CG 3.9Å; L102-M117 HydrophobicContact CD1-SD 3.7Å; I115-M117 PolarHBondContact O-N 2.77Å; M117-M122 HydrophobicContact CE-CG 3.73Å; M117-M122 HydrophobicContact CE-SD 3.95Å
118N93.4Very high95.4Very high44 Ų4445.9 Ų45.924%0.23523%0.229CC..  trans-145.417617561.433.8000110.7D34 F120 K121 M122D34-N118 HydrophobicContact CB-CB 4.02Å; D34-N118 PolarHBondContact OD2-ND2 3.08Å; N118-F120 VanDerWaalsContact C-N 3.27Å; N118-F120 PolarHBondContact O-N 3.31Å; N118-F120 WeakPolarHBondContact OD1-CB 3.32Å; N118-F120 PolarHBondContact OD1-N 2.85Å; N118-K121 PolarHBondContact O-N 3.47Å; N118-K121 VanDerWaalsContact O-N 3.13Å; N118-K121 PolarHBondContact OD1-N 2.9Å; N118-M122 WeakPolarHBondContact O-CG 3.32Å; N118-M122 PolarHBondContact O-N 2.79Å; N118-M122 VanDerWaalsContact O-N 3.08Å
119I95.1Very high95.5Very high27 Ų2740.5 Ų40.514%0.13821%0.209CC..Hα-helixtrans-60.6-36.3-176.1-60.2-179.5000111.9P54 L57 Y58 F61 K121 M122 I123P54-I119 WeakPolarHBondContact O-CD1 3.23Å; L57-I119 HydrophobicContact CB-CB 4.41Å; L57-I119 HydrophobicContact CB-CG2 3.79Å; Y58-I119 HydrophobicContact CD2-CD1 4.1Å; Y58-I119 HydrophobicContact CG-CD1 4.45Å; F61-I119 HydrophobicContact CB-CG2 3.66Å; F61-I119 HydrophobicContact CG-CG2 4.17Å; I119-K121 VanDerWaalsContact C-N 3.35Å; I119-K121 PolarHBondContact O-N 3.29Å; I119-M122 WeakPolarHBondContact O-CB 3.49Å; I119-M122 PolarHBondContact O-N 3.24Å; I119-M122 VanDerWaalsContact O-N 3.13Å; I119-I123 HydrophobicContact CG2-CD1 4.12Å; I119-I123 HydrophobicContact CG2-CG1 4.46Å; I119-I123 WeakPolarHBondContact O-CG1 3.4Å; I119-I123 PolarHBondContact O-N 3.38Å
120F94.1Very high95.8Very high92 Ų9236.1 Ų36.140%0.40419%0.189SC..Hα-helixtrans-60.2-44.9176.6-179.1-94.3000111.5L57 N118 M122 I123 N124 I236L57-F120 HydrophobicContact CD1-CB 3.98Å; L57-F120 HydrophobicContact CD1-CD2 4.11Å; N118-F120 VanDerWaalsContact C-N 3.27Å; N118-F120 PolarHBondContact O-N 3.31Å; N118-F120 WeakPolarHBondContact OD1-CB 3.32Å; N118-F120 PolarHBondContact OD1-N 2.85Å; F120-M122 VanDerWaalsContact C-N 3.29Å; F120-M122 PolarHBondContact O-N 3Å; F120-I123 PolarHBondContact O-N 3.41Å; F120-N124 WeakPolarHBondContact CD1-ND2 3.5Å; F120-N124 WeakPolarHBondContact CE1-ND2 3.47Å; F120-N124 WeakPolarHBondContact CZ-ND2 3.37Å; F120-N124 PolarHBondContact O-N 3.16Å; F120-N124 PolarHBondContact O-ND2 3.48Å; F120-I236 HydrophobicContact CD2-CG2 4.3Å; F120-I236 HydrophobicContact CE2-CB 3.96Å; F120-I236 HydrophobicContact CE2-CG2 3.6Å; F120-I236 HydrophobicContact CZ-CB 4.43Å; F120-I236 HydrophobicContact CZ-CG2 4.1Å
121K95.9Very high96.1Very high41 Ų4132.8 Ų32.818%0.17817%0.171CC..Hα-helixtrans-67.5-29.5175.4-66.7-172-171.61690112.9I115 K116 N118 I119 A125I115-K121 HydrophobicContact CG2-CD 4.05Å; K116-K121 WeakPolarHBondContact O-CD 3.21Å; K116-K121 WeakPolarHBondContact O-CE 3.44Å; K116-K121 PolarHBondContact O-NZ 3.43Å; N118-K121 PolarHBondContact O-N 3.47Å; N118-K121 VanDerWaalsContact O-N 3.13Å; N118-K121 PolarHBondContact OD1-N 2.9Å; I119-K121 VanDerWaalsContact C-N 3.35Å; I119-K121 PolarHBondContact O-N 3.29Å; K121-A125 WeakPolarHBondContact O-CB 3.45Å; K121-A125 PolarHBondContact O-N 3.1Å
122M97.6Very high96.6Very high54 Ų5430.6 Ų30.627%0.26616%0.16SC..Hα-helixtrans-65.2-46.1172.2-64.9168.459.300111.1F61 M117 N118 I119 F120 N124 A125 D126F61-M122 HydrophobicContact CD2-CB 4.11Å; F61-M122 HydrophobicContact CD2-CE 4.41Å; F61-M122 HydrophobicContact CE1-CE 3.97Å; F61-M122 HydrophobicContact CE2-CB 4.01Å; F61-M122 HydrophobicContact CE2-CE 3.74Å; F61-M122 HydrophobicContact CZ-CE 3.49Å; F61-M122 VanDerWaalsContact CZ-CE 3.49Å; M117-M122 HydrophobicContact CE-CG 3.73Å; M117-M122 HydrophobicContact CE-SD 3.95Å; N118-M122 WeakPolarHBondContact O-CG 3.32Å; N118-M122 PolarHBondContact O-N 2.79Å; N118-M122 VanDerWaalsContact O-N 3.08Å; I119-M122 WeakPolarHBondContact O-CB 3.49Å; I119-M122 PolarHBondContact O-N 3.24Å; I119-M122 VanDerWaalsContact O-N 3.13Å; F120-M122 VanDerWaalsContact C-N 3.29Å; F120-M122 PolarHBondContact O-N 3Å; M122-N124 VanDerWaalsContact C-N 3.33Å; M122-N124 PolarHBondContact O-N 2.96Å; M122-A125 WeakPolarHBondContact O-CA 3.49Å; M122-A125 WeakPolarHBondContact O-CB 3.32Å; M122-A125 PolarHBondContact O-N 3.02Å; M122-A125 VanDerWaalsContact O-N 3.08Å; M122-D126 PolarHBondContact O-N 2.81Å; M122-D126 VanDerWaalsContact O-OD2 3.07Å
123I97.9Very high97Very high0 Ų023.6 Ų23.60%012%0.122CC..Hα-helixtrans-58-45.2175.2-68165.3000111.2L57 F61 I119 F120 A125 D126 F127 A235 I236L57-I123 HydrophobicContact CB-CD1 4.09Å; F61-I123 HydrophobicContact CB-CD1 3.98Å; F61-I123 HydrophobicContact CB-CG1 3.7Å; F61-I123 HydrophobicContact CD2-CG1 4.13Å; F61-I123 HydrophobicContact CG-CG1 4.42Å; I119-I123 HydrophobicContact CG2-CD1 4.12Å; I119-I123 HydrophobicContact CG2-CG1 4.46Å; I119-I123 WeakPolarHBondContact O-CG1 3.4Å; I119-I123 PolarHBondContact O-N 3.38Å; F120-I123 PolarHBondContact O-N 3.41Å; I123-A125 VanDerWaalsContact C-N 3.27Å; I123-A125 PolarHBondContact O-N 3.41Å; I123-D126 WeakPolarHBondContact O-CB 3.38Å; I123-D126 PolarHBondContact O-N 2.84Å; I123-D126 VanDerWaalsContact O-N 3.13Å; I123-F127 HydrophobicContact CG2-CD2 4.33Å; I123-F127 HydrophobicContact CG2-CE1 4.23Å; I123-F127 HydrophobicContact CG2-CE2 3.86Å; I123-F127 HydrophobicContact CG2-CZ 3.8Å; I123-F127 PolarHBondContact O-N 2.6Å; I123-A235 HydrophobicContact CD1-CB 4.4Å; I123-A235 HydrophobicContact CG2-CB 3.84Å; I123-I236 HydrophobicContact CG2-CG2 4.23Å
124N98Very high97.3Very high23 Ų2321.7 Ų21.712%0.12310%0.102CC..Hα-helixtrans-63.6-34.6177.5-77.2-82.2000112.2Q105 F120 M122 F127 S128Q105-N124 PolarHBondContact NE2-O 3.38Å; Q105-N124 VanDerWaalsContact OE1-C 3.32Å; Q105-N124 PolarHBondContact OE1-O 3.1Å; F120-N124 WeakPolarHBondContact CD1-ND2 3.5Å; F120-N124 WeakPolarHBondContact CE1-ND2 3.47Å; F120-N124 WeakPolarHBondContact CZ-ND2 3.37Å; F120-N124 PolarHBondContact O-N 3.16Å; F120-N124 PolarHBondContact O-ND2 3.48Å; M122-N124 VanDerWaalsContact C-N 3.33Å; M122-N124 PolarHBondContact O-N 2.96Å; N124-F127 WeakPolarHBondContact O-CB 3.06Å; N124-F127 PolarHBondContact O-N 2.92Å; N124-S128 PolarHBondContact O-N 2.87Å; N124-S128 PolarHBondContact O-OG 3.47Å
125A98.6Very high97.4Very high2 Ų218.2 Ų18.22%0.0179%0.087CC..Hα-helixtrans-67.8-35.7172.900000112.7L98 L102 K121 M122 I123 F127 S128 T129L98-A125 HydrophobicContact CD2-CB 4.44Å; L98-A125 WeakPolarHBondContact O-CB 3.31Å; L102-A125 HydrophobicContact CB-CB 4.14Å; K121-A125 WeakPolarHBondContact O-CB 3.45Å; K121-A125 PolarHBondContact O-N 3.1Å; M122-A125 WeakPolarHBondContact O-CA 3.49Å; M122-A125 WeakPolarHBondContact O-CB 3.32Å; M122-A125 PolarHBondContact O-N 3.02Å; M122-A125 VanDerWaalsContact O-N 3.08Å; I123-A125 VanDerWaalsContact C-N 3.27Å; I123-A125 PolarHBondContact O-N 3.41Å; A125-F127 VanDerWaalsContact C-N 3.32Å; A125-S128 PolarHBondContact O-OG 3.26Å; A125-S128 VanDerWaalsContact O-OG 3.08Å; A125-T129 VanDerWaalsContact O-CB 3.3Å; A125-T129 WeakPolarHBondContact O-CB 3.48Å; A125-T129 PolarHBondContact O-N 3.48Å; A125-T129 PolarHBondContact O-OG1 3.49Å
126D98.8Very high97.5Very high1 Ų118.2 Ų18.21%0.0059%0.087CC..Hα-helixtrans-62.7-39169.6-75.6-81.4000111.2F61 V64 H65 I68 L98 M122 I123 T129 A130F61-D126 WeakPolarHBondContact CE2-OD2 3.4Å; V64-D126 HydrophobicContact CG1-CB 3.59Å; H65-D126 IonicContact CE1-OD1 3.21Å; H65-D126 IonicContact CG-OD1 3.94Å; H65-D126 IonicContact ND1-OD1 3.81Å; H65-D126 PolarHBondContact ND1-OD1 2.92Å; H65-D126 IonicContact ND1-OD2 3.73Å; I68-D126 HydrophobicContact CD1-CB 4.46Å; I68-D126 WeakPolarHBondContact CD1-O 3.33Å; I68-D126 HydrophobicContact CG1-CB 3.92Å; I68-D126 WeakPolarHBondContact CG1-OD1 3.38Å; L98-D126 HydrophobicContact CD2-CB 4.15Å; L98-D126 VanDerWaalsContact CD2-CG 3.48Å; L98-D126 VanDerWaalsContact CD2-OD1 3.32Å; L98-D126 WeakPolarHBondContact CD2-OD1 3.49Å; M122-D126 PolarHBondContact O-N 2.81Å; M122-D126 VanDerWaalsContact O-OD2 3.07Å; I123-D126 WeakPolarHBondContact O-CB 3.38Å; I123-D126 PolarHBondContact O-N 2.84Å; I123-D126 VanDerWaalsContact O-N 3.13Å; D126-T129 CarbonylContact O-C 3.29Å; D126-T129 WeakPolarHBondContact O-CB 3.38Å; D126-T129 PolarHBondContact O-N 3.31Å; D126-A130 PolarHBondContact O-N 2.98Å
127F98.5Very high97.6Very high4 Ų416.7 Ų16.72%0.0188%0.081CC..Hα-helixtrans-64.7-46.4177-73.7-13.1000114V64 I123 N124 A125 T129 A130 T131 I181 F232 A235 I236V64-F127 HydrophobicContact CG1-CD1 4.13Å; V64-F127 HydrophobicContact CG1-CE1 3.92Å; V64-F127 HydrophobicContact CG2-CE1 4.13Å; I123-F127 HydrophobicContact CG2-CD2 4.33Å; I123-F127 HydrophobicContact CG2-CE1 4.23Å; I123-F127 HydrophobicContact CG2-CE2 3.86Å; I123-F127 HydrophobicContact CG2-CZ 3.8Å; I123-F127 PolarHBondContact O-N 2.6Å; N124-F127 WeakPolarHBondContact O-CB 3.06Å; N124-F127 PolarHBondContact O-N 2.92Å; A125-F127 VanDerWaalsContact C-N 3.32Å; F127-T129 VanDerWaalsContact C-N 3.25Å; F127-T129 PolarHBondContact O-N 3.46Å; F127-A130 WeakPolarHBondContact O-CB 3.31Å; F127-A130 PolarHBondContact O-N 2.81Å; F127-T131 PolarHBondContact O-N 3.07Å; F127-T131 PolarHBondContact O-OG1 3.01Å; F127-I181 HydrophobicContact CB-CD1 3.47Å; F127-I181 VanDerWaalsContact CB-CD1 3.47Å; F127-I181 HydrophobicContact CB-CG1 4.42Å; F127-I181 HydrophobicContact CD1-CD1 4.05Å; F127-I181 HydrophobicContact CD2-CD1 4.38Å; F127-I181 HydrophobicContact CG-CD1 3.73Å; F127-F232 HydrophobicContact CD1-CD2 4.05Å; F127-F232 HydrophobicContact CD1-CE1 4.3Å; F127-F232 AromaticContact CD1-CE2 3.45Å; F127-F232 HydrophobicContact CD1-CE2 3.45Å; F127-F232 VanDerWaalsContact CD1-CE2 3.45Å; F127-F232 AromaticContact CD1-CZ 3.59Å; F127-F232 HydrophobicContact CD1-CZ 3.59Å; F127-F232 HydrophobicContact CE1-CD1 4.12Å; F127-F232 AromaticContact CE1-CD2 3.57Å; F127-F232 HydrophobicContact CE1-CD2 3.57Å; F127-F232 HydrophobicContact CE1-CE1 4.02Å; F127-F232 AromaticContact CE1-CE2 3.45Å; F127-F232 HydrophobicContact CE1-CE2 3.45Å; F127-F232 VanDerWaalsContact CE1-CE2 3.45Å; F127-F232 AromaticContact CE1-CG 3.9Å; F127-F232 HydrophobicContact CE1-CG 3.9Å; F127-F232 AromaticContact CE1-CZ 3.68Å; F127-F232 HydrophobicContact CE1-CZ 3.68Å; F127-F232 WeakPolarHBondContact CZ-O 3.49Å; F127-A235 HydrophobicContact CZ-CB 4.14Å; F127-I236 HydrophobicContact CE2-CD1 4.05Å; F127-I236 HydrophobicContact CE2-CG1 4.1Å; F127-I236 HydrophobicContact CE2-CG2 3.72Å
128S98.4Very high97.9Very high0 Ų014 Ų140%07%0.068CC..Hα-helixtrans-64-34.9173.6580000111.5G101 Q105 N124 A125 T131 F159G101-S128 WeakPolarHBondContact CA-OG 3.11Å; Q105-S128 PolarHBondContact OE1-OG 3.32Å; N124-S128 PolarHBondContact O-N 2.87Å; N124-S128 PolarHBondContact O-OG 3.47Å; A125-S128 PolarHBondContact O-OG 3.26Å; A125-S128 VanDerWaalsContact O-OG 3.08Å; S128-T131 VanDerWaalsContact O-CB 3.3Å; S128-T131 WeakPolarHBondContact O-CB 3.2Å; S128-T131 PolarHBondContact O-N 3.01Å; S128-F159 VanDerWaalsContact CB-CE1 3.44Å
129T98.9Very high98.1Very high1 Ų112 Ų121%0.0066%0.057CC..Hα-helixtrans-65-42.5172.7-61.60000112.3I68 A94 G97 L98 A125 D126 F127 T131 V132 L133I68-T129 HydrophobicContact CG2-CG2 3.88Å; A94-T129 HydrophobicContact CB-CG2 3.87Å; G97-T129 PolarHBondContact O-OG1 3.1Å; L98-T129 PolarHBondContact N-OG1 2.97Å; L98-T129 VanDerWaalsContact N-OG1 3.17Å; A125-T129 VanDerWaalsContact O-CB 3.3Å; A125-T129 WeakPolarHBondContact O-CB 3.48Å; A125-T129 PolarHBondContact O-N 3.48Å; A125-T129 PolarHBondContact O-OG1 3.49Å; D126-T129 CarbonylContact O-C 3.29Å; D126-T129 WeakPolarHBondContact O-CB 3.38Å; D126-T129 PolarHBondContact O-N 3.31Å; F127-T129 VanDerWaalsContact C-N 3.25Å; F127-T129 PolarHBondContact O-N 3.46Å; T129-T131 PolarHBondContact O-N 3.2Å; T129-V132 WeakPolarHBondContact O-CB 3.39Å; T129-V132 PolarHBondContact O-N 3.49Å; T129-L133 HydrophobicContact CG2-CD1 4.34Å; T129-L133 HydrophobicContact CG2-CG 4.42Å; T129-L133 WeakPolarHBondContact O-CG 3.11Å; T129-L133 PolarHBondContact O-N 3.01Å; T129-L133 VanDerWaalsContact O-N 3.08Å
130A98.9Very high98.3Very high0 Ų010.7 Ų10.70%05%0.051CC..Hα-helixtrans-55-40.317700000111.4I68 F72 D126 F127 V132 L133 I134 I181 F232I68-A130 HydrophobicContact CD1-CB 3.64Å; F72-A130 HydrophobicContact CE2-CB 4.26Å; D126-A130 PolarHBondContact O-N 2.98Å; F127-A130 WeakPolarHBondContact O-CB 3.31Å; F127-A130 PolarHBondContact O-N 2.81Å; A130-V132 VanDerWaalsContact C-N 3.33Å; A130-V132 PolarHBondContact O-N 3.4Å; A130-L133 PolarHBondContact O-N 3.48Å; A130-L133 VanDerWaalsContact O-N 3.11Å; A130-I134 WeakPolarHBondContact O-CG1 2.99Å; A130-I134 PolarHBondContact O-N 3.48Å; A130-I181 HydrophobicContact CB-CG2 4.21Å; A130-F232 HydrophobicContact CB-CE2 4.39Å
131T98.8Very high98.5Very high0 Ų06.4 Ų6.40%03%0.032CC..Hα-helixtrans-55.8-46.5176.1-55.90000111.9F127 S128 T129 L133 I134 S135 F159 F184F127-T131 PolarHBondContact O-N 3.07Å; F127-T131 PolarHBondContact O-OG1 3.01Å; S128-T131 VanDerWaalsContact O-CB 3.3Å; S128-T131 WeakPolarHBondContact O-CB 3.2Å; S128-T131 PolarHBondContact O-N 3.01Å; T129-T131 PolarHBondContact O-N 3.2Å; T131-L133 VanDerWaalsContact C-N 3.33Å; T131-L133 PolarHBondContact O-N 3.21Å; T131-I134 WeakPolarHBondContact O-CB 3.14Å; T131-I134 PolarHBondContact O-N 2.78Å; T131-S135 PolarHBondContact O-N 3.31Å; T131-F159 HydrophobicContact CG2-CD2 3.87Å; T131-F159 HydrophobicContact CG2-CE2 4.44Å; T131-F159 WeakPolarHBondContact OG1-CD2 3.23Å; T131-F159 VanDerWaalsContact OG1-CE2 3.29Å; T131-F159 WeakPolarHBondContact OG1-CE2 3.35Å; T131-F184 HydrophobicContact CG2-CD1 3.32Å; T131-F184 HydrophobicContact CG2-CE1 3.75Å; T131-F184 HydrophobicContact CG2-CG 4.44Å
132V98.9Very high98.6Very high1 Ų15 Ų51%0.0063%0.026CC..Hα-helixtrans-64-38.5176.6176.40000111.8T129 A130 I134 S135 F136 M151 T152 E155 I156T129-V132 WeakPolarHBondContact O-CB 3.39Å; T129-V132 PolarHBondContact O-N 3.49Å; A130-V132 VanDerWaalsContact C-N 3.33Å; A130-V132 PolarHBondContact O-N 3.4Å; V132-I134 VanDerWaalsContact C-N 3.31Å; V132-S135 PolarHBondContact O-N 3.12Å; V132-F136 WeakPolarHBondContact O-CB 3.39Å; V132-F136 PolarHBondContact O-N 3.47Å; V132-M151 HydrophobicContact CG1-CE 4.28Å; V132-T152 HydrophobicContact CG1-CG2 4.13Å; V132-T152 WeakPolarHBondContact CG1-OG1 3.48Å; V132-T152 HydrophobicContact CG2-CG2 4.25Å; V132-E155 WeakPolarHBondContact CA-OE2 3.22Å; V132-E155 HydrophobicContact CG2-CB 4.18Å; V132-E155 HydrophobicContact CG2-CG 4.13Å; V132-I156 HydrophobicContact CG2-CD1 3.97Å; V132-I156 HydrophobicContact CG2-CG1 3.56Å
133L98.9Very high98.7Very high1 Ų12.5 Ų2.51%0.0051%0.014CC..Hα-helixtrans-69.6-31.1179-60.6-177.6000112.1I68 F72 N90 L93 T129 A130 T131 F136 G137I68-L133 HydrophobicContact CG2-CD1 3.77Å; F72-L133 HydrophobicContact CB-CB 4.18Å; F72-L133 HydrophobicContact CB-CD1 3.87Å; F72-L133 HydrophobicContact CD1-CB 3.91Å; F72-L133 HydrophobicContact CD2-CB 4.34Å; F72-L133 HydrophobicContact CD2-CD1 4.14Å; F72-L133 HydrophobicContact CE1-CB 4.38Å; F72-L133 HydrophobicContact CG-CB 3.89Å; F72-L133 HydrophobicContact CG-CD1 4.08Å; N90-L133 WeakPolarHBondContact OD1-CD1 3.44Å; N90-L133 VanDerWaalsContact OD1-CD2 3.26Å; N90-L133 WeakPolarHBondContact OD1-CD2 3.34Å; L93-L133 HydrophobicContact CB-CD2 4.21Å; T129-L133 HydrophobicContact CG2-CD1 4.34Å; T129-L133 HydrophobicContact CG2-CG 4.42Å; T129-L133 WeakPolarHBondContact O-CG 3.11Å; T129-L133 PolarHBondContact O-N 3.01Å; T129-L133 VanDerWaalsContact O-N 3.08Å; A130-L133 PolarHBondContact O-N 3.48Å; A130-L133 VanDerWaalsContact O-N 3.11Å; T131-L133 VanDerWaalsContact C-N 3.33Å; T131-L133 PolarHBondContact O-N 3.21Å; L133-F136 PolarHBondContact O-N 2.9Å; L133-G137 PolarHBondContact O-N 2.88Å; L133-G137 VanDerWaalsContact O-N 3.15Å
134I98.9Very high98.7Very high1 Ų12.5 Ų2.51%0.0051%0.014CC..Hα-helixtrans-64.1-49.7168.3-64.5167.2000109.8F72 A130 T131 V132 F136 G137 I181 H182 A186 V337 H341F72-I134 HydrophobicContact CE1-CG1 3.72Å; F72-I134 HydrophobicContact CZ-CD1 4.39Å; F72-I134 HydrophobicContact CZ-CG1 3.8Å; A130-I134 WeakPolarHBondContact O-CG1 2.99Å; A130-I134 PolarHBondContact O-N 3.48Å; T131-I134 WeakPolarHBondContact O-CB 3.14Å; T131-I134 PolarHBondContact O-N 2.78Å; V132-I134 VanDerWaalsContact C-N 3.31Å; I134-F136 VanDerWaalsContact C-N 3.27Å; I134-F136 PolarHBondContact O-N 3.1Å; I134-G137 PolarHBondContact O-N 3.09Å; I134-G137 VanDerWaalsContact O-N 3.12Å; I134-I181 HydrophobicContact CD1-CG2 3.76Å; I134-H182 VanDerWaalsContact CD1-ND1 3.33Å; I134-H182 WeakPolarHBondContact CD1-ND1 3.38Å; I134-A186 HydrophobicContact CG2-CB 4.21Å; I134-V337 HydrophobicContact CG2-CB 4.23Å; I134-V337 WeakPolarHBondContact O-CG1 3.37Å; I134-H341 HydrophobicContact CD1-CB 4.4Å; I134-H341 HydrophobicContact CG2-CB 3.76Å
135S98.9Very high98.7Very high0 Ų02 Ų20%01%0.012CC..Hα-helixtrans-60.5-37.7176.5-78.80000113T131 V132 G137 A138 V139 E155 G185 F188 G189T131-S135 PolarHBondContact O-N 3.31Å; V132-S135 PolarHBondContact O-N 3.12Å; S135-G137 VanDerWaalsContact C-N 3.29Å; S135-G137 PolarHBondContact O-N 2.86Å; S135-A138 WeakPolarHBondContact O-CB 3.46Å; S135-A138 PolarHBondContact O-N 2.69Å; S135-A138 VanDerWaalsContact O-N 3.1Å; S135-V139 PolarHBondContact O-N 3Å; S135-E155 VanDerWaalsContact CB-OE1 3.22Å; S135-E155 WeakPolarHBondContact CB-OE1 3.48Å; S135-E155 WeakPolarHBondContact CB-OE2 3.45Å; S135-E155 VanDerWaalsContact OG-CD 3.24Å; S135-E155 PolarHBondContact OG-OE1 3.17Å; S135-E155 PolarHBondContact OG-OE2 2.82Å; S135-G185 PolarHBondContact OG-O 3.17Å; S135-F188 WeakPolarHBondContact OG-CD1 3.31Å; S135-G189 WeakPolarHBondContact OG-CA 3.47Å; S135-G189 PolarHBondContact OG-N 2.86Å; S135-G189 VanDerWaalsContact OG-N 3.1Å
136F98.9Very high98.7Very high0 Ų02.1 Ų2.10%01%0.012CC..Hα-helixtrans-58.6-41.8175.3176.6-146.4000111M76 I89 N90 L93 V132 L133 I134 A138 V139 L140 L148 M151M76-F136 HydrophobicContact CE-CD1 3.6Å; M76-F136 HydrophobicContact CE-CE1 3.74Å; M76-F136 HydrophobicContact SD-CD1 3.66Å; M76-F136 HydrophobicContact SD-CE1 3.89Å; M76-F136 HydrophobicContact SD-CG 4.31Å; I89-F136 HydrophobicContact CB-CZ 4.21Å; I89-F136 HydrophobicContact CG2-CZ 4.26Å; N90-F136 HydrophobicContact CB-CE1 4.42Å; L93-F136 HydrophobicContact CD1-CB 4.27Å; L93-F136 HydrophobicContact CD1-CD1 4.02Å; L93-F136 HydrophobicContact CD1-CD2 4.42Å; L93-F136 HydrophobicContact CD1-CE1 4.49Å; L93-F136 HydrophobicContact CD1-CG 3.99Å; V132-F136 WeakPolarHBondContact O-CB 3.39Å; V132-F136 PolarHBondContact O-N 3.47Å; L133-F136 PolarHBondContact O-N 2.9Å; I134-F136 VanDerWaalsContact C-N 3.27Å; I134-F136 PolarHBondContact O-N 3.1Å; F136-A138 PolarHBondContact O-N 2.9Å; F136-V139 HydrophobicContact CD2-CG2 4.48Å; F136-V139 CarbonylContact O-C 3.53Å; F136-V139 PolarHBondContact O-N 3.14Å; F136-L140 HydrophobicContact CD2-CD1 4.21Å; F136-L140 HydrophobicContact CE1-CD1 3.88Å; F136-L140 HydrophobicContact CE2-CB 4.46Å; F136-L140 HydrophobicContact CE2-CD1 3.43Å; F136-L140 VanDerWaalsContact CE2-CD1 3.43Å; F136-L140 HydrophobicContact CZ-CD1 3.24Å; F136-L140 WeakPolarHBondContact O-CA 3.38Å; F136-L140 WeakPolarHBondContact O-CB 3.5Å; F136-L140 PolarHBondContact O-N 3.26Å; F136-L148 HydrophobicContact CD2-CD1 3.85Å; F136-L148 HydrophobicContact CD2-CD2 3.57Å; F136-L148 HydrophobicContact CD2-CG 4.38Å; F136-L148 HydrophobicContact CE2-CD1 3.47Å; F136-L148 VanDerWaalsContact CE2-CD1 3.47Å; F136-L148 HydrophobicContact CE2-CD2 4.09Å; F136-L148 HydrophobicContact CE2-CG 4.45Å; F136-L148 HydrophobicContact CG-CD2 4.39Å; F136-L148 HydrophobicContact CZ-CD1 4.22Å; F136-M151 HydrophobicContact CB-CE 4.31Å
137G98.9Very high98.7Very high2 Ų22.2 Ų2.22%0.0211%0.013CC..Hα-helixtrans-56.9-3317500000114.3L133 I134 S135 T334 C335L133-G137 PolarHBondContact O-N 2.88Å; L133-G137 VanDerWaalsContact O-N 3.15Å; I134-G137 PolarHBondContact O-N 3.09Å; I134-G137 VanDerWaalsContact O-N 3.12Å; S135-G137 VanDerWaalsContact C-N 3.29Å; S135-G137 PolarHBondContact O-N 2.86Å; G137-T334 WeakPolarHBondContact O-CB 3.24Å; G137-C335 VanDerWaalsContact CA-SG 3.55Å; G137-C335 PolarHBondContact O-N 2.82Å; G137-C335 PolarHBondContact O-SG 2.73Å; G137-C335 VanDerWaalsContact O-SG 3.41Å
138A98.9Very high98.7Very high0 Ų02 Ų20%01%0.012CC..Hα-helixtrans-68-36.4175.900000112.5S135 F136 K142 G189 L190 A193 T334 V337S135-A138 WeakPolarHBondContact O-CB 3.46Å; S135-A138 PolarHBondContact O-N 2.69Å; S135-A138 VanDerWaalsContact O-N 3.1Å; F136-A138 PolarHBondContact O-N 2.9Å; A138-K142 PolarHBondContact O-NZ 3.27Å; A138-G189 VanDerWaalsContact CB-C 3.45Å; A138-G189 WeakPolarHBondContact CB-O 3.41Å; A138-L190 HydrophobicContact CB-CD1 4.43Å; A138-A193 HydrophobicContact CB-CB 4.36Å; A138-T334 PolarHBondContact O-N 3.2Å; A138-V337 HydrophobicContact CB-CG2 3.79Å
139V98.8Very high98.7Very high2 Ų22.1 Ų2.11%0.0121%0.012CC..Hα-helixtrans-104.7-0.7-174-60.90000114.3S135 F136 G141 K142 T143 L148 M151 V192 A193S135-V139 PolarHBondContact O-N 3Å; F136-V139 HydrophobicContact CD2-CG2 4.48Å; F136-V139 CarbonylContact O-C 3.53Å; F136-V139 PolarHBondContact O-N 3.14Å; V139-G141 PolarHBondContact O-N 3.35Å; V139-K142 WeakPolarHBondContact O-CB 3.4Å; V139-K142 WeakPolarHBondContact O-CE 3.5Å; V139-K142 PolarHBondContact O-N 3.37Å; V139-K142 VanDerWaalsContact O-N 3.08Å; V139-T143 HydrophobicContact CB-CG2 3.91Å; V139-T143 HydrophobicContact CG2-CG2 4.14Å; V139-L148 HydrophobicContact CG2-CD2 3.89Å; V139-M151 HydrophobicContact CG2-CE 4.44Å; V139-M151 HydrophobicContact CG2-SD 4.18Å; V139-V192 HydrophobicContact CG1-CB 4.26Å; V139-V192 HydrophobicContact CG1-CG1 3.77Å; V139-A193 HydrophobicContact CG1-CB 4.06Å
140L98.7Very high98.7Very high0 Ų03 Ų30%02%0.017CC..THydrogen-bonded Turntrans-47.9135-178-176.171.7000111.5M76 F78 L79 Y82 F136 K142 T334 C335 F405M76-L140 HydrophobicContact CB-CD2 3.79Å; M76-L140 HydrophobicContact CG-CD2 4.07Å; M76-L140 HydrophobicContact SD-CD1 4.27Å; M76-L140 HydrophobicContact SD-CD2 4.33Å; F78-L140 HydrophobicContact CE1-CD2 4.37Å; L79-L140 HydrophobicContact CD1-CD2 3.63Å; L79-L140 HydrophobicContact CD1-CG 3.85Å; L79-L140 HydrophobicContact CG-CD2 4.48Å; Y82-L140 HydrophobicContact CD1-CD1 3.88Å; Y82-L140 HydrophobicContact CD1-CG 4.14Å; Y82-L140 HydrophobicContact CE1-CD1 3.69Å; Y82-L140 HydrophobicContact CE1-CG 4.2Å; F136-L140 HydrophobicContact CD2-CD1 4.21Å; F136-L140 HydrophobicContact CE1-CD1 3.88Å; F136-L140 HydrophobicContact CE2-CB 4.46Å; F136-L140 HydrophobicContact CE2-CD1 3.43Å; F136-L140 VanDerWaalsContact CE2-CD1 3.43Å; F136-L140 HydrophobicContact CZ-CD1 3.24Å; F136-L140 WeakPolarHBondContact O-CA 3.38Å; F136-L140 WeakPolarHBondContact O-CB 3.5Å; F136-L140 PolarHBondContact O-N 3.26Å; L140-K142 PolarHBondContact O-N 3.01Å; L140-T334 HydrophobicContact CB-CG2 3.99Å; L140-T334 HydrophobicContact CD2-CG2 4.24Å; L140-T334 HydrophobicContact CG-CG2 4.37Å; L140-T334 PolarHBondContact O-OG1 2.93Å; L140-C335 WeakPolarHBondContact CD2-SG 3.24Å; L140-F405 WeakPolarHBondContact O-CE1 3.45Å
141G98.3Very high98.7Very high1 Ų13 Ų31%0.012%0.017CC..THydrogen-bonded Turntrans81.2-10179.700000115.6Y82 V139 C404 F405Y82-G141 VanDerWaalsContact CE1-N 3.34Å; Y82-G141 VanDerWaalsContact CZ-CA 3.48Å; V139-G141 PolarHBondContact O-N 3.35Å; G141-C404 CarbonylContact O-C 3.45Å; G141-C404 WeakPolarHBondContact O-CA 3.4Å; G141-C404 WeakPolarHBondContact O-CB 3.19Å; G141-F405 PolarHBondContact O-N 3.48Å
142K98.4Very high98.7Very high13 Ų133 Ų36%0.0572%0.017CC..SBendtrans-116.6-6.3-171.4-60.8165.8-58.9-149.30113.7A138 V139 L140 R198 L201 Q332 T334 P399 F405A138-K142 PolarHBondContact O-NZ 3.27Å; V139-K142 WeakPolarHBondContact O-CB 3.4Å; V139-K142 WeakPolarHBondContact O-CE 3.5Å; V139-K142 PolarHBondContact O-N 3.37Å; V139-K142 VanDerWaalsContact O-N 3.08Å; L140-K142 PolarHBondContact O-N 3.01Å; K142-R198 PolarHBondContact O-NE 3.22Å; K142-R198 PolarHBondContact O-NH2 3.14Å; K142-L201 HydrophobicContact CD-CD1 3.95Å; K142-L201 HydrophobicContact CG-CD1 3.95Å; K142-Q332 PolarHBondContact NZ-O 2.97Å; K142-T334 WeakPolarHBondContact CE-OG1 3.28Å; K142-T334 PolarHBondContact NZ-OG1 2.87Å; K142-P399 WeakPolarHBondContact O-CD 3.42Å; K142-P399 WeakPolarHBondContact O-CG 3.5Å; K142-F405 HydrophobicContact CD-CE1 4.48Å; K142-F405 HydrophobicContact CD-CZ 4.1Å; K142-F405 HydrophobicContact CG-CE1 4.13Å; K142-F405 HydrophobicContact CG-CZ 3.87Å
143T98.2Very high98.7Very high1 Ų15 Ų51%0.0063%0.027CC..SBendtrans-122.4157.7-174.9510000111.9V139 L148 L196 M391V139-T143 HydrophobicContact CB-CG2 3.91Å; V139-T143 HydrophobicContact CG2-CG2 4.14Å; T143-L148 WeakPolarHBondContact OG1-CD2 3.3Å; T143-L148 WeakPolarHBondContact OG1-CG 3.23Å; T143-L196 HydrophobicContact CG2-CD1 3.94Å; T143-M391 HydrophobicContact CG2-CE 3.87Å
144S98.4Very high98.7Very high0 Ų07.3 Ų7.30%04%0.039CC..  trans-85.4160.517271.70000112.1M8 V146 Q147 L148 W396 Y410M8-S144 VanDerWaalsContact CE-CB 3.48Å; S144-V146 PolarHBondContact O-N 3.43Å; S144-V146 PolarHBondContact OG-N 3.46Å; S144-Q147 PolarHBondContact O-N 3.11Å; S144-Q147 VanDerWaalsContact O-N 3.14Å; S144-Q147 WeakPolarHBondContact OG-CG 3.15Å; S144-Q147 PolarHBondContact OG-N 3.2Å; S144-L148 WeakPolarHBondContact O-CG 3.29Å; S144-L148 PolarHBondContact O-N 2.88Å; S144-L148 VanDerWaalsContact O-N 3.07Å; S144-W396 PolarHBondContact OG-O 2.82Å; S144-Y410 WeakPolarHBondContact CB-OH 3.08Å
145P98.3Very high98.7Very high13 Ų137.2 Ų7.28%0.0844%0.039CC..Hα-helixtrans-55.6-33171.3-25.133.1000113.3F12 I89 L92 L148 L149 Y410F12-P145 HydrophobicContact CD2-CB 3.85Å; F12-P145 HydrophobicContact CE2-CB 3.86Å; I89-P145 HydrophobicContact CD1-CG 3.91Å; I89-P145 HydrophobicContact CG1-CG 4.39Å; L92-P145 HydrophobicContact CD2-CB 4.34Å; P145-L148 PolarHBondContact O-N 2.79Å; P145-L149 PolarHBondContact O-N 2.88Å; P145-Y410 HydrophobicContact CG-CG 4.5Å
146V98.4Very high98.7Very high4 Ų47.2 Ų7.22%0.0244%0.039CC..Hα-helixtrans-65.2-47.4176.21700000111.3M8 K11 F12 L15 S144 L148 L149 I150 W396M8-V146 HydrophobicContact SD-CG2 3.9Å; K11-V146 HydrophobicContact CB-CG2 4.28Å; F12-V146 HydrophobicContact CB-CG2 3.94Å; F12-V146 HydrophobicContact CD2-CG2 4.32Å; L15-V146 HydrophobicContact CD2-CB 4.38Å; L15-V146 HydrophobicContact CD2-CG1 3.79Å; S144-V146 PolarHBondContact O-N 3.43Å; S144-V146 PolarHBondContact OG-N 3.46Å; V146-L148 PolarHBondContact O-N 3.07Å; V146-L149 PolarHBondContact O-N 3Å; V146-I150 HydrophobicContact CG1-CD1 4.12Å; V146-I150 WeakPolarHBondContact O-CG1 3.19Å; V146-I150 PolarHBondContact O-N 3.43Å; V146-I150 VanDerWaalsContact O-N 3.17Å; V146-W396 HydrophobicContact CG1-CB 4.24Å; V146-W396 HydrophobicContact CG1-CD2 4.45Å; V146-W396 HydrophobicContact CG1-CE3 3.68Å; V146-W396 HydrophobicContact CG1-CZ3 4.43Å
147Q98.7Very high98.7Very high2 Ų29.5 Ų9.51%0.0095%0.052CC..Hα-helixtrans-61.2-37.6176.3-70.8175.2-6300111.3S144 I150 M151 M391 W396S144-Q147 PolarHBondContact O-N 3.11Å; S144-Q147 VanDerWaalsContact O-N 3.14Å; S144-Q147 WeakPolarHBondContact OG-CG 3.15Å; S144-Q147 PolarHBondContact OG-N 3.2Å; Q147-I150 WeakPolarHBondContact O-CB 3.3Å; Q147-I150 PolarHBondContact O-N 3.37Å; Q147-M151 PolarHBondContact O-N 3.37Å; Q147-M391 HydrophobicContact CB-CE 3.72Å; Q147-M391 HydrophobicContact CB-CG 4.31Å; Q147-M391 PolarHBondContact NE2-O 3.49Å; Q147-W396 HydrophobicContact CG-CB 3.42Å; Q147-W396 VanDerWaalsContact CG-CB 3.42Å; Q147-W396 HydrophobicContact CG-CG 3.96Å
148L98.8Very high98.7Very high0 Ų011 Ų110%06%0.06CC..Hα-helixtrans-69.7-41.3-179-69.6169000112I89 L93 F136 V139 T143 S144 P145 V146 I150 M151 T152I89-L148 HydrophobicContact CD1-CD1 4.43Å; I89-L148 HydrophobicContact CG2-CD1 3.6Å; L93-L148 HydrophobicContact CD1-CB 3.98Å; L93-L148 HydrophobicContact CD1-CD1 4.45Å; L93-L148 HydrophobicContact CD1-CD2 4.37Å; L93-L148 HydrophobicContact CD1-CG 4.49Å; L93-L148 HydrophobicContact CD2-CB 3.63Å; L93-L148 HydrophobicContact CG-CB 4.32Å; F136-L148 HydrophobicContact CD2-CD1 3.85Å; F136-L148 HydrophobicContact CD2-CD2 3.57Å; F136-L148 HydrophobicContact CD2-CG 4.38Å; F136-L148 HydrophobicContact CE2-CD1 3.47Å; F136-L148 VanDerWaalsContact CE2-CD1 3.47Å; F136-L148 HydrophobicContact CE2-CD2 4.09Å; F136-L148 HydrophobicContact CE2-CG 4.45Å; F136-L148 HydrophobicContact CG-CD2 4.39Å; F136-L148 HydrophobicContact CZ-CD1 4.22Å; V139-L148 HydrophobicContact CG2-CD2 3.89Å; T143-L148 WeakPolarHBondContact OG1-CD2 3.3Å; T143-L148 WeakPolarHBondContact OG1-CG 3.23Å; S144-L148 WeakPolarHBondContact O-CG 3.29Å; S144-L148 PolarHBondContact O-N 2.88Å; S144-L148 VanDerWaalsContact O-N 3.07Å; P145-L148 PolarHBondContact O-N 2.79Å; V146-L148 PolarHBondContact O-N 3.07Å; L148-I150 VanDerWaalsContact C-N 3.29Å; L148-I150 PolarHBondContact O-N 2.8Å; L148-M151 HydrophobicContact CD2-CE 3.93Å; L148-M151 HydrophobicContact CD2-SD 4.5Å; L148-M151 WeakPolarHBondContact O-CB 3.44Å; L148-M151 PolarHBondContact O-N 2.99Å; L148-M151 VanDerWaalsContact O-N 3.14Å; L148-T152 PolarHBondContact O-N 3.31Å; L148-T152 PolarHBondContact O-OG1 2.92Å
149L98.8Very high98.7Very high3 Ų311 Ų112%0.0166%0.06CC..Hα-helixtrans-60.8-37.4171.7-74173.9000112.5F12 L15 A16 L19 L92 L93 F96 P145 V146 T152 I153F12-L149 HydrophobicContact CD2-CD1 4.31Å; F12-L149 HydrophobicContact CE2-CD1 3.91Å; L15-L149 HydrophobicContact CD2-CB 4.11Å; L15-L149 HydrophobicContact CD2-CD1 4.34Å; L15-L149 HydrophobicContact CG-CD1 4.49Å; A16-L149 HydrophobicContact CB-CD1 4.25Å; L19-L149 HydrophobicContact CD1-CB 4.03Å; L19-L149 HydrophobicContact CD1-CD1 4.29Å; L19-L149 HydrophobicContact CD1-CD2 4.5Å; L92-L149 HydrophobicContact CD1-CD2 4.44Å; L92-L149 HydrophobicContact CD2-CD1 4.46Å; L92-L149 HydrophobicContact CD2-CD2 4.37Å; L92-L149 HydrophobicContact CD2-CG 4.34Å; L92-L149 HydrophobicContact CG-CD2 4.21Å; L93-L149 HydrophobicContact CD2-CD2 4.27Å; F96-L149 HydrophobicContact CB-CD2 4.21Å; F96-L149 HydrophobicContact CD1-CD2 3.89Å; F96-L149 HydrophobicContact CG-CD2 4.23Å; P145-L149 PolarHBondContact O-N 2.88Å; V146-L149 PolarHBondContact O-N 3Å; L149-T152 PolarHBondContact O-N 3.31Å; L149-I153 PolarHBondContact O-N 3.49Å; L149-I153 VanDerWaalsContact O-N 3.14Å
150I98.6Very high98.6Very high19 Ų1911 Ų1110%0.0976%0.06CC..Hα-helixtrans-66-40.8174.3-67.1164.5000111L15 V146 Q147 L148 I153 L154 I390 W396L15-I150 HydrophobicContact CD2-CG1 4.16Å; V146-I150 HydrophobicContact CG1-CD1 4.12Å; V146-I150 WeakPolarHBondContact O-CG1 3.19Å; V146-I150 PolarHBondContact O-N 3.43Å; V146-I150 VanDerWaalsContact O-N 3.17Å; Q147-I150 WeakPolarHBondContact O-CB 3.3Å; Q147-I150 PolarHBondContact O-N 3.37Å; L148-I150 VanDerWaalsContact C-N 3.29Å; L148-I150 PolarHBondContact O-N 2.8Å; I150-I153 WeakPolarHBondContact O-CG2 3.23Å; I150-L154 HydrophobicContact CG2-CD1 3.89Å; I150-L154 WeakPolarHBondContact O-CG 3.37Å; I150-L154 PolarHBondContact O-N 3.08Å; I150-I390 HydrophobicContact CG2-CG2 4Å; I150-W396 HydrophobicContact CD1-CD2 3.74Å; I150-W396 HydrophobicContact CD1-CE3 3.48Å; I150-W396 VanDerWaalsContact CD1-CE3 3.48Å; I150-W396 HydrophobicContact CD1-CH2 3.66Å; I150-W396 HydrophobicContact CD1-CZ2 3.94Å; I150-W396 HydrophobicContact CD1-CZ3 3.41Å; I150-W396 VanDerWaalsContact CD1-CZ3 3.41Å
151M98.9Very high98.6Very high0 Ų014.3 Ų14.30%08%0.077CC..Hα-helixtrans-61.3-48.4174.6-166.1179.177.600110.4V132 F136 V139 Q147 L148 I153 L154 E155 F188 V192 T387 M391V132-M151 HydrophobicContact CG1-CE 4.28Å; F136-M151 HydrophobicContact CB-CE 4.31Å; V139-M151 HydrophobicContact CG2-CE 4.44Å; V139-M151 HydrophobicContact CG2-SD 4.18Å; Q147-M151 PolarHBondContact O-N 3.37Å; L148-M151 HydrophobicContact CD2-CE 3.93Å; L148-M151 HydrophobicContact CD2-SD 4.5Å; L148-M151 WeakPolarHBondContact O-CB 3.44Å; L148-M151 PolarHBondContact O-N 2.99Å; L148-M151 VanDerWaalsContact O-N 3.14Å; M151-I153 PolarHBondContact O-N 3.04Å; M151-L154 PolarHBondContact O-N 3.38Å; M151-E155 WeakPolarHBondContact O-CB 3.43Å; M151-E155 PolarHBondContact O-N 2.82Å; M151-F188 HydrophobicContact CG-CE1 3.98Å; M151-V192 HydrophobicContact SD-CG1 4.45Å; M151-T387 HydrophobicContact CB-CG2 4.27Å; M151-T387 HydrophobicContact CG-CG2 3.96Å; M151-M391 HydrophobicContact CB-CE 4.14Å; M151-M391 HydrophobicContact CB-SD 3.85Å; M151-M391 HydrophobicContact CG-CE 4.49Å; M151-M391 HydrophobicContact CG-SD 4.06Å; M151-M391 HydrophobicContact SD-CE 4.14Å; M151-M391 HydrophobicContact SD-SD 4.28Å
152T98.9Very high98.7Very high0 Ų014.3 Ų14.30%08%0.077CC..Hα-helixtrans-55.9-48.6179.9-54.10000112.7L93 F96 V132 L148 L149 I156L93-T152 VanDerWaalsContact CD2-OG1 3.24Å; L93-T152 WeakPolarHBondContact CD2-OG1 3.36Å; F96-T152 HydrophobicContact CD1-CG2 3.6Å; F96-T152 HydrophobicContact CE1-CG2 3.98Å; V132-T152 HydrophobicContact CG1-CG2 4.13Å; V132-T152 WeakPolarHBondContact CG1-OG1 3.48Å; V132-T152 HydrophobicContact CG2-CG2 4.25Å; L148-T152 PolarHBondContact O-N 3.31Å; L148-T152 PolarHBondContact O-OG1 2.92Å; L149-T152 PolarHBondContact O-N 3.31Å; T152-I156 HydrophobicContact CG2-CD1 3.79Å; T152-I156 WeakPolarHBondContact O-CB 3.27Å; T152-I156 WeakPolarHBondContact O-CG1 3.35Å; T152-I156 PolarHBondContact O-N 2.87Å; T152-I156 VanDerWaalsContact O-N 3.1Å
153I98.6Very high98.7Very high43 Ų4314.6 Ų14.622%0.2218%0.078CC..Hα-helixtrans-64.6-42.8-179.2-172.5168.6000111.9L19 F96 W100 L149 I150 M151 T157L19-I153 HydrophobicContact CD2-CD1 3.87Å; F96-I153 HydrophobicContact CE1-CB 4.06Å; F96-I153 HydrophobicContact CZ-CB 4.23Å; W100-I153 HydrophobicContact CD2-CG1 4.31Å; W100-I153 HydrophobicContact CH2-CD1 4.33Å; W100-I153 HydrophobicContact CH2-CG1 4.48Å; W100-I153 HydrophobicContact CZ2-CD1 4.06Å; W100-I153 HydrophobicContact CZ2-CG1 3.74Å; W100-I153 PolarHBondContact NE1-O 2.85Å; L149-I153 PolarHBondContact O-N 3.49Å; L149-I153 VanDerWaalsContact O-N 3.14Å; I150-I153 WeakPolarHBondContact O-CG2 3.23Å; M151-I153 PolarHBondContact O-N 3.04Å; I153-T157 WeakPolarHBondContact O-CB 3.18Å; I153-T157 PolarHBondContact O-N 2.74Å; I153-T157 PolarHBondContact O-OG1 3.33Å
154L98.9Very high98.7Very high49 Ų4917 Ų1726%0.2579%0.089SC..Hα-helixtrans-72.1-45.9-178.5-67.6174.5000111.6I150 M151 T157 I158 T387 I390I150-L154 HydrophobicContact CG2-CD1 3.89Å; I150-L154 WeakPolarHBondContact O-CG 3.37Å; I150-L154 PolarHBondContact O-N 3.08Å; M151-L154 PolarHBondContact O-N 3.38Å; L154-T157 PolarHBondContact O-N 2.81Å; L154-I158 WeakPolarHBondContact O-CD1 3.32Å; L154-I158 VanDerWaalsContact O-CG1 3.27Å; L154-I158 WeakPolarHBondContact O-CG1 3.48Å; L154-I158 PolarHBondContact O-N 3Å; L154-T387 HydrophobicContact CB-CG2 4.32Å; L154-T387 HydrophobicContact CD1-CG2 3.95Å; L154-I390 HydrophobicContact CD1-CD1 3.69Å
155E98.9Very high98.7Very high0 Ų019.4 Ų19.40%010%0.102CC..Hα-helixtrans-63.2-49.7-177.3-174.8169.6-172.800111.8V132 S135 M151 T157 I158 F159 F184 F188V132-E155 WeakPolarHBondContact CA-OE2 3.22Å; V132-E155 HydrophobicContact CG2-CB 4.18Å; V132-E155 HydrophobicContact CG2-CG 4.13Å; S135-E155 VanDerWaalsContact CB-OE1 3.22Å; S135-E155 WeakPolarHBondContact CB-OE1 3.48Å; S135-E155 WeakPolarHBondContact CB-OE2 3.45Å; S135-E155 VanDerWaalsContact OG-CD 3.24Å; S135-E155 PolarHBondContact OG-OE1 3.17Å; S135-E155 PolarHBondContact OG-OE2 2.82Å; M151-E155 WeakPolarHBondContact O-CB 3.43Å; M151-E155 PolarHBondContact O-N 2.82Å; E155-T157 VanDerWaalsContact C-N 3.29Å; E155-T157 PolarHBondContact O-N 2.81Å; E155-I158 PolarHBondContact O-N 3.28Å; E155-F159 VanDerWaalsContact O-CB 3.23Å; E155-F159 WeakPolarHBondContact O-CB 3.27Å; E155-F159 PolarHBondContact O-N 3.5Å; E155-F184 HydrophobicContact CG-CE1 4.09Å; E155-F188 HydrophobicContact CB-CD1 4.34Å; E155-F188 HydrophobicContact CB-CE1 3.7Å; E155-F188 HydrophobicContact CB-CE2 4.09Å; E155-F188 HydrophobicContact CB-CZ 3.55Å; E155-F188 VanDerWaalsContact CD-CD1 3.49Å; E155-F188 HydrophobicContact CG-CD1 3.87Å; E155-F188 HydrophobicContact CG-CD2 4.15Å; E155-F188 HydrophobicContact CG-CE1 3.75Å; E155-F188 HydrophobicContact CG-CE2 4.02Å; E155-F188 HydrophobicContact CG-CG 4.08Å; E155-F188 HydrophobicContact CG-CZ 3.82Å
156I98.9Very high98.7Very high0 Ų018.8 Ų18.80%010%0.098CC..Hα-helixtrans-63.1-36.5178.7-71.2176.5000111.5W100 M104 V132 T152 F159 S160W100-I156 HydrophobicContact CG-CG2 4.43Å; M104-I156 HydrophobicContact CB-CG2 4.11Å; M104-I156 HydrophobicContact CG-CG2 4.15Å; V132-I156 HydrophobicContact CG2-CD1 3.97Å; V132-I156 HydrophobicContact CG2-CG1 3.56Å; T152-I156 HydrophobicContact CG2-CD1 3.79Å; T152-I156 WeakPolarHBondContact O-CB 3.27Å; T152-I156 WeakPolarHBondContact O-CG1 3.35Å; T152-I156 PolarHBondContact O-N 2.87Å; T152-I156 VanDerWaalsContact O-N 3.1Å; I156-F159 PolarHBondContact O-N 3.3Å; I156-S160 WeakPolarHBondContact O-CB 3.42Å; I156-S160 PolarHBondContact O-N 3.06Å
157T98.8Very high98.5Very high47 Ų4721.8 Ų21.829%0.28812%0.116SC..Hα-helixtrans-63.6-45.1177-55.70000110.9W100 M104 I153 L154 E155 S160 I161W100-T157 PolarHBondContact NE1-OG1 2.83Å; M104-T157 HydrophobicContact SD-CG2 4.29Å; I153-T157 WeakPolarHBondContact O-CB 3.18Å; I153-T157 PolarHBondContact O-N 2.74Å; I153-T157 PolarHBondContact O-OG1 3.33Å; L154-T157 PolarHBondContact O-N 2.81Å; E155-T157 VanDerWaalsContact C-N 3.29Å; E155-T157 PolarHBondContact O-N 2.81Å; T157-S160 PolarHBondContact O-N 2.8Å; T157-I161 WeakPolarHBondContact O-CG1 3.38Å; T157-I161 PolarHBondContact O-N 3.31Å
158I98.8Very high98.4Very high33 Ų3324.9 Ų24.917%0.16913%0.133CC..Hα-helixtrans-71.1-40.2179.2-64.1165000110.9L154 E155 S160 I161 N162 F184 F188 F379L154-I158 WeakPolarHBondContact O-CD1 3.32Å; L154-I158 VanDerWaalsContact O-CG1 3.27Å; L154-I158 WeakPolarHBondContact O-CG1 3.48Å; L154-I158 PolarHBondContact O-N 3Å; E155-I158 PolarHBondContact O-N 3.28Å; I158-S160 VanDerWaalsContact C-N 3.33Å; I158-S160 PolarHBondContact O-N 3Å; I158-I161 PolarHBondContact O-N 3.46Å; I158-N162 PolarHBondContact O-N 3.34Å; I158-F184 HydrophobicContact CB-CZ 4.42Å; I158-F184 HydrophobicContact CG2-CE2 4.2Å; I158-F184 HydrophobicContact CG2-CZ 3.97Å; I158-F188 HydrophobicContact CD1-CE2 4.15Å; I158-F379 HydrophobicContact CG2-CB 4.21Å; I158-F379 HydrophobicContact CG2-CD1 4Å
159F98.8Very high98.3Very high1 Ų129.2 Ų29.20%0.00416%0.159CC..Hα-helixtrans-55.1-49.3173168.9-86.4000110.4S128 T131 E155 I156 I161 N162 E163 I180 I181 F184S128-F159 VanDerWaalsContact CB-CE1 3.44Å; T131-F159 HydrophobicContact CG2-CD2 3.87Å; T131-F159 HydrophobicContact CG2-CE2 4.44Å; T131-F159 WeakPolarHBondContact OG1-CD2 3.23Å; T131-F159 VanDerWaalsContact OG1-CE2 3.29Å; T131-F159 WeakPolarHBondContact OG1-CE2 3.35Å; E155-F159 VanDerWaalsContact O-CB 3.23Å; E155-F159 WeakPolarHBondContact O-CB 3.27Å; E155-F159 PolarHBondContact O-N 3.5Å; I156-F159 PolarHBondContact O-N 3.3Å; F159-I161 VanDerWaalsContact C-N 3.29Å; F159-I161 PolarHBondContact O-N 3.02Å; F159-N162 CarbonylContact O-C 3.42Å; F159-N162 PolarHBondContact O-N 2.53Å; F159-E163 HydrophobicContact CE1-CB 4.13Å; F159-E163 HydrophobicContact CE1-CG 4.46Å; F159-E163 WeakPolarHBondContact CE1-OE1 3.27Å; F159-E163 HydrophobicContact CZ-CB 4.42Å; F159-E163 WeakPolarHBondContact O-CB 3.47Å; F159-E163 PolarHBondContact O-N 2.82Å; F159-I180 WeakPolarHBondContact CD2-O 3.19Å; F159-I180 WeakPolarHBondContact CE2-O 3.24Å; F159-I181 HydrophobicContact CE2-CG1 3.91Å; F159-I181 HydrophobicContact CZ-CG1 4.2Å; F159-F184 HydrophobicContact CB-CE1 3.89Å; F159-F184 HydrophobicContact CB-CZ 3.95Å; F159-F184 HydrophobicContact CD2-CD1 4.21Å; F159-F184 HydrophobicContact CD2-CE1 4.32Å
160S98.6Very high98.2Very high3 Ų330.6 Ų30.62%0.02117%0.166CC..Hα-helixtrans-60.3-37.5-179.8169.70000112.4M104 W108 I156 T157 I158 H164M104-S160 VanDerWaalsContact C-OG 3.27Å; M104-S160 PolarHBondContact O-OG 3.39Å; W108-S160 VanDerWaalsContact CD1-OG 3.23Å; W108-S160 PolarHBondContact NE1-OG 3.34Å; I156-S160 WeakPolarHBondContact O-CB 3.42Å; I156-S160 PolarHBondContact O-N 3.06Å; T157-S160 PolarHBondContact O-N 2.8Å; I158-S160 VanDerWaalsContact C-N 3.33Å; I158-S160 PolarHBondContact O-N 3Å; S160-H164 WeakPolarHBondContact O-CB 3.36Å; S160-H164 PolarHBondContact O-N 3.18Å
161I98.6Very high98.1Very high69 Ų6936.4 Ų36.435%0.35419%0.193SC..Hα-helixtrans-65.1-45.6173.8-63.2163.5000110.9W108 T157 I158 F159 L165 F379W108-I161 HydrophobicContact CZ2-CG1 4.12Å; T157-I161 WeakPolarHBondContact O-CG1 3.38Å; T157-I161 PolarHBondContact O-N 3.31Å; I158-I161 PolarHBondContact O-N 3.46Å; F159-I161 VanDerWaalsContact C-N 3.29Å; F159-I161 PolarHBondContact O-N 3.02Å; I161-L165 PolarHBondContact O-N 3.49Å; I161-F379 HydrophobicContact CG2-CE1 3.83Å; I161-F379 HydrophobicContact CG2-CZ 4Å
162N98.8Very high98Very high0 Ų037 Ų370%020%0.198CC..Hα-helixtrans-65.4-43.2178.1-179.967000111.8I158 F159 L165 V166 F184 S375 S376 F379I158-N162 PolarHBondContact O-N 3.34Å; F159-N162 CarbonylContact O-C 3.42Å; F159-N162 PolarHBondContact O-N 2.53Å; N162-L165 PolarHBondContact O-N 3.13Å; N162-V166 WeakPolarHBondContact O-CB 3.29Å; N162-V166 VanDerWaalsContact O-CG2 3.28Å; N162-V166 WeakPolarHBondContact O-CG2 3.12Å; N162-V166 PolarHBondContact O-N 3.44Å; N162-F184 HydrophobicContact CB-CD2 4.35Å; N162-F184 HydrophobicContact CB-CE2 4.11Å; N162-S375 PolarHBondContact OD1-OG 3.49Å; N162-S376 PolarHBondContact ND2-OG 3.23Å; N162-S376 WeakPolarHBondContact OD1-CA 3.22Å; N162-S376 PolarHBondContact OD1-N 3.23Å; N162-F379 HydrophobicContact CB-CB 4.12Å; N162-F379 HydrophobicContact CB-CD2 4.07Å; N162-F379 HydrophobicContact CB-CG 4.07Å
163E98.4Very high97.9Very high19 Ų1938 Ų389%0.08920%0.203CC..Hα-helixtrans-58.6-49176.6-178.8-178.5-112.800110.5Q105 F159 L165 V166 V167 I180Q105-E163 WeakPolarHBondContact CG-OE2 3.46Å; Q105-E163 VanDerWaalsContact NE2-CD 3.32Å; Q105-E163 PolarHBondContact NE2-OE1 3.37Å; Q105-E163 PolarHBondContact NE2-OE2 3.14Å; F159-E163 HydrophobicContact CE1-CB 4.13Å; F159-E163 HydrophobicContact CE1-CG 4.46Å; F159-E163 WeakPolarHBondContact CE1-OE1 3.27Å; F159-E163 HydrophobicContact CZ-CB 4.42Å; F159-E163 WeakPolarHBondContact O-CB 3.47Å; F159-E163 PolarHBondContact O-N 2.82Å; E163-L165 VanDerWaalsContact C-N 3.33Å; E163-L165 PolarHBondContact O-N 2.94Å; E163-V166 PolarHBondContact O-N 3.35Å; E163-V167 HydrophobicContact CG-CG2 4.13Å; E163-V167 WeakPolarHBondContact O-CB 3.45Å; E163-V167 WeakPolarHBondContact O-CG2 3.48Å; E163-V167 PolarHBondContact O-N 3.07Å; E163-I180 HydrophobicContact CG-CD1 4.42Å
164H98.1Very high97.8Very high51 Ų5136.5 Ų36.524%0.23620%0.196CC..Hα-helixtrans-59-44176.6-179.363000112.3W108 S160 N168 V169W108-H164 HydrophobicContact CD2-CB 4.03Å; W108-H164 AromaticContact CD2-CD2 3.99Å; W108-H164 AromaticContact CD2-CG 3.74Å; W108-H164 AromaticContact CE3-CD2 3.6Å; W108-H164 AromaticContact CE3-CE1 3.97Å; W108-H164 AromaticContact CE3-CG 3.8Å; W108-H164 AromaticContact CE3-NE2 3.72Å; W108-H164 HydrophobicContact CG-CB 4.13Å; W108-H164 AromaticContact CZ3-CD2 3.75Å; S160-H164 WeakPolarHBondContact O-CB 3.36Å; S160-H164 PolarHBondContact O-N 3.18Å; H164-N168 PolarHBondContact ND1-OD1 3.02Å; H164-N168 WeakPolarHBondContact O-CA 3.4Å; H164-N168 VanDerWaalsContact O-CB 3.32Å; H164-N168 WeakPolarHBondContact O-CB 3.35Å; H164-N168 PolarHBondContact O-N 3.21Å; H164-V169 PolarHBondContact O-N 2.94Å
165L98.4Very high97.7Very high51 Ų5134.7 Ų34.727%0.26719%0.186SC..Iπ-helixtrans-60.9-47.6175.6176.165.4000111.4I161 N162 E163 V169 L170 F379I161-L165 PolarHBondContact O-N 3.49Å; N162-L165 PolarHBondContact O-N 3.13Å; E163-L165 VanDerWaalsContact C-N 3.33Å; E163-L165 PolarHBondContact O-N 2.94Å; L165-V169 HydrophobicContact CD1-CB 4.03Å; L165-V169 HydrophobicContact CD1-CG1 4.06Å; L165-V169 HydrophobicContact CD1-CG2 4.5Å; L165-V169 WeakPolarHBondContact O-CB 3.35Å; L165-V169 PolarHBondContact O-N 3.32Å; L165-L170 HydrophobicContact CD1-CG 4.37Å; L165-L170 HydrophobicContact CG-CD1 4.29Å; L165-L170 HydrophobicContact CG-CG 4.39Å; L165-L170 WeakPolarHBondContact O-CG 3.29Å; L165-L170 PolarHBondContact O-N 2.93Å; L165-F379 HydrophobicContact CD2-CE2 3.66Å; L165-F379 HydrophobicContact CD2-CZ 4.41Å
166V98.1Very high97.6Very high0 Ų034.7 Ų34.70%019%0.186CC..Iπ-helixtrans-69.1-49.1-175.9168.90000111.6N162 E163 Q171 A172 I180 A372 S375N162-V166 WeakPolarHBondContact O-CB 3.29Å; N162-V166 VanDerWaalsContact O-CG2 3.28Å; N162-V166 WeakPolarHBondContact O-CG2 3.12Å; N162-V166 PolarHBondContact O-N 3.44Å; E163-V166 PolarHBondContact O-N 3.35Å; V166-Q171 PolarHBondContact O-N 3.39Å; V166-Q171 VanDerWaalsContact O-N 3.16Å; V166-A172 HydrophobicContact CG1-CB 3.96Å; V166-A172 PolarHBondContact O-N 3.31Å; V166-A172 VanDerWaalsContact O-N 3.16Å; V166-I180 HydrophobicContact CB-CG2 3.88Å; V166-I180 HydrophobicContact CG1-CG2 3.56Å; V166-I180 HydrophobicContact CG2-CG2 4.04Å; V166-A372 HydrophobicContact CB-CB 4.35Å; V166-A372 HydrophobicContact CG1-CB 3.71Å; V166-A372 HydrophobicContact CG2-CB 3.94Å; V166-S375 VanDerWaalsContact CG2-OG 3.32Å; V166-S375 WeakPolarHBondContact CG2-OG 3.49Å
167V95.8Very high97.6Very high68 Ų6834.8 Ų34.841%0.41219%0.187SC..Iπ-helixtrans-81.7-49.2-171.8178.40000111.4E163 Q171E163-V167 HydrophobicContact CG-CG2 4.13Å; E163-V167 WeakPolarHBondContact O-CB 3.45Å; E163-V167 WeakPolarHBondContact O-CG2 3.48Å; E163-V167 PolarHBondContact O-N 3.07Å; V167-Q171 WeakPolarHBondContact O-CA 3.26Å
168N95.1Very high97.6Very high67 Ų6732.5 Ų32.536%0.35817%0.173SC..Iπ-helixtrans-90.4-35.9-172.1-56.4100.8000113.2H164H164-N168 PolarHBondContact ND1-OD1 3.02Å; H164-N168 WeakPolarHBondContact O-CA 3.4Å; H164-N168 VanDerWaalsContact O-CB 3.32Å; H164-N168 WeakPolarHBondContact O-CB 3.35Å; H164-N168 PolarHBondContact O-N 3.21Å
169V97Very high97.6Very high91 Ų9131 Ų3155%0.55217%0.165SC*.Iπ-helixtrans-93.9-50.9-174.5-179.70000111.8H164 L165H164-V169 PolarHBondContact O-N 2.94Å; L165-V169 HydrophobicContact CD1-CB 4.03Å; L165-V169 HydrophobicContact CD1-CG1 4.06Å; L165-V169 HydrophobicContact CD1-CG2 4.5Å; L165-V169 WeakPolarHBondContact O-CB 3.35Å; L165-V169 PolarHBondContact O-N 3.32Å
170L97.2Very high97.6Very high31 Ų3131.3 Ų31.316%0.16217%0.167CC..SBendtrans-80.6-19.4179.1-62.2178000112.5L165 A172 M368 A371 A372L165-L170 HydrophobicContact CD1-CG 4.37Å; L165-L170 HydrophobicContact CG-CD1 4.29Å; L165-L170 HydrophobicContact CG-CG 4.39Å; L165-L170 WeakPolarHBondContact O-CG 3.29Å; L165-L170 PolarHBondContact O-N 2.93Å; L170-A172 PolarHBondContact O-N 3.39Å; L170-M368 HydrophobicContact CD2-SD 3.88Å; L170-M368 WeakPolarHBondContact O-CB 3.42Å; L170-A371 HydrophobicContact CD1-CB 4.05Å; L170-A371 HydrophobicContact CD2-CB 4.26Å; L170-A372 HydrophobicContact CD1-CB 4.13Å
171Q96.3Very high97.6Very high142 Ų14231.2 Ų31.266%0.66417%0.166SC*.  trans52.736.1-178.4-55.8-170.7-41.400112.7V166 V167V166-Q171 PolarHBondContact O-N 3.39Å; V166-Q171 VanDerWaalsContact O-N 3.16Å; V167-Q171 WeakPolarHBondContact O-CA 3.26Å
172A97.1Very high97.6Very high12 Ų1228 Ų2810%0.09915%0.15CC..  trans-73.8147.1176.100000110.6V166 L170 A372V166-A172 HydrophobicContact CG1-CB 3.96Å; V166-A172 PolarHBondContact O-N 3.31Å; V166-A172 VanDerWaalsContact O-N 3.16Å; L170-A172 PolarHBondContact O-N 3.39Å; A172-A372 HydrophobicContact CB-CB 3.43Å; A172-A372 VanDerWaalsContact CB-CB 3.43Å
173N96.3Very high97.6Very high20 Ų2028 Ų2811%0.10715%0.15CC..  trans-92.1122.9175-53-81.8000108.5T292 M296 K363 Q369N173-T292 WeakPolarHBondContact O-CG2 3.15Å; N173-M296 HydrophobicContact CB-CE 3.54Å; N173-K363 PolarHBondContact ND2-O 2.75Å; N173-Q369 VanDerWaalsContact N-OE1 3.09Å; N173-Q369 PolarHBondContact O-NE2 3.31Å; N173-Q369 PolarHBondContact O-OE1 3.01Å
174D97.6Very high97.6Very high13 Ų1327.1 Ų27.17%0.0715%0.146CC..  trans-148.256.6176.4-163.223.1000110.8G176 A177 S178 M179 I180 T292D174-G176 VanDerWaalsContact C-N 3.33Å; D174-G176 PolarHBondContact O-N 2.97Å; D174-A177 VanDerWaalsContact CG-CA 3.46Å; D174-A177 WeakPolarHBondContact O-CA 3.47Å; D174-A177 PolarHBondContact O-N 3.27Å; D174-A177 WeakPolarHBondContact OD1-CA 3.34Å; D174-A177 WeakPolarHBondContact OD2-CA 3.5Å; D174-S178 PolarHBondContact OD1-N 3.09Å; D174-M179 HydrophobicContact CB-CE 3.69Å; D174-M179 PolarHBondContact OD1-N 2.92Å; D174-M179 WeakPolarHBondContact OD2-CA 3.45Å; D174-M179 VanDerWaalsContact OD2-CB 3.23Å; D174-M179 WeakPolarHBondContact OD2-CB 3.11Å; D174-M179 PolarHBondContact OD2-N 3.02Å; D174-I180 PolarHBondContact OD2-N 3.44Å; D174-T292 HydrophobicContact CB-CG2 4.49Å; D174-T292 VanDerWaalsContact OD1-CA 3.26Å; D174-T292 WeakPolarHBondContact OD1-CA 3.48Å; D174-T292 VanDerWaalsContact OD1-CB 3.3Å; D174-T292 WeakPolarHBondContact OD1-CB 3.34Å; D174-T292 PolarHBondContact OD1-OG1 3.06Å
175V97.1Very high97.7Very high10 Ų1024.7 Ų24.76%0.06113%0.134CC..THydrogen-bonded Turntrans-58.5-39.3-165.671.70000114.2I236 A237 G291 A294 D295V175-I236 HydrophobicContact CG2-CG1 4.23Å; V175-I236 WeakPolarHBondContact O-CG1 3.5Å; V175-A237 HydrophobicContact CG2-CB 3.61Å; V175-G291 VanDerWaalsContact CG1-O 3.27Å; V175-G291 WeakPolarHBondContact CG1-O 3.38Å; V175-A294 HydrophobicContact CG1-CB 3.96Å; V175-D295 HydrophobicContact CB-CB 4.34Å; V175-D295 HydrophobicContact CG1-CB 3.8Å; V175-D295 VanDerWaalsContact CG1-CG 3.44Å; V175-D295 WeakPolarHBondContact CG1-OD1 3.21Å; V175-D295 HydrophobicContact CG2-CB 4.36Å
176G96.8Very high97.7Very high0 Ų022.2 Ų22.20%012%0.122CC..THydrogen-bonded Turntrans-99.213.3173.700000113.5D174 S178 N233 G291D174-G176 VanDerWaalsContact C-N 3.33Å; D174-G176 PolarHBondContact O-N 2.97Å; G176-S178 PolarHBondContact O-N 3.49Å; G176-N233 WeakPolarHBondContact CA-OD1 3.36Å; G176-G291 WeakPolarHBondContact CA-O 3.26Å; G176-G291 PolarHBondContact N-O 3.21Å
177A97.7Very high97.7Very high2 Ų223.9 Ų23.92%0.01713%0.128CC..  trans57.340.2167.400000116.2D174 M179 I180 I181 H182D174-A177 VanDerWaalsContact CG-CA 3.46Å; D174-A177 WeakPolarHBondContact O-CA 3.47Å; D174-A177 PolarHBondContact O-N 3.27Å; D174-A177 WeakPolarHBondContact OD1-CA 3.34Å; D174-A177 WeakPolarHBondContact OD2-CA 3.5Å; A177-M179 PolarHBondContact O-N 2.81Å; A177-I180 HydrophobicContact CB-CD1 4.03Å; A177-I180 HydrophobicContact CB-CG1 3.5Å; A177-I180 VanDerWaalsContact CB-CG1 3.5Å; A177-I181 HydrophobicContact CB-CB 3.75Å; A177-I181 HydrophobicContact CB-CD1 3.3Å; A177-I181 HydrophobicContact CB-CG1 3.51Å; A177-I181 WeakPolarHBondContact O-CB 3.46Å; A177-I181 PolarHBondContact O-N 3.35Å; A177-I181 VanDerWaalsContact O-N 3.1Å; A177-H182 PolarHBondContact O-N 2.77Å; A177-H182 VanDerWaalsContact O-N 3.1Å
178S98.9Very high97.9Very high0 Ų020.6 Ų20.60%011%0.108CC..Iπ-helixtrans-61.7-32.3175.3-46.10000111.6D174 G176 A183 V288 G291 T292 G345D174-S178 PolarHBondContact OD1-N 3.09Å; G176-S178 PolarHBondContact O-N 3.49Å; S178-A183 WeakPolarHBondContact O-CB 3.42Å; S178-A183 PolarHBondContact O-N 3.4Å; S178-V288 WeakPolarHBondContact CB-O 3.5Å; S178-V288 PolarHBondContact OG-O 2.94Å; S178-G291 VanDerWaalsContact OG-CA 3.22Å; S178-G291 WeakPolarHBondContact OG-CA 3.49Å; S178-G291 PolarHBondContact OG-N 3.32Å; S178-T292 WeakPolarHBondContact CB-OG1 3.31Å; S178-T292 PolarHBondContact OG-N 3.39Å; S178-T292 PolarHBondContact OG-OG1 2.95Å; S178-G345 VanDerWaalsContact O-CA 3.31Å; S178-G345 WeakPolarHBondContact O-CA 3.11Å
179M98.8Very high98.1Very high0 Ų017.4 Ų17.40%09%0.091CC..Iπ-helixtrans-88.9-54.9179.3-48.7-175-73.500111.3D174 A177 F184 T292 A372 L373 S376D174-M179 HydrophobicContact CB-CE 3.69Å; D174-M179 PolarHBondContact OD1-N 2.92Å; D174-M179 WeakPolarHBondContact OD2-CA 3.45Å; D174-M179 VanDerWaalsContact OD2-CB 3.23Å; D174-M179 WeakPolarHBondContact OD2-CB 3.11Å; D174-M179 PolarHBondContact OD2-N 3.02Å; A177-M179 PolarHBondContact O-N 2.81Å; M179-F184 PolarHBondContact O-N 3.12Å; M179-F184 VanDerWaalsContact O-N 3.09Å; M179-T292 HydrophobicContact CE-CG2 3.99Å; M179-A372 HydrophobicContact CE-CB 3.88Å; M179-A372 HydrophobicContact SD-CB 4.32Å; M179-L373 HydrophobicContact CB-CD1 4.35Å; M179-L373 HydrophobicContact CG-CB 4.41Å; M179-L373 HydrophobicContact CG-CD1 4.04Å; M179-L373 HydrophobicContact SD-CB 3.67Å; M179-L373 HydrophobicContact SD-CD1 4.4Å; M179-S376 WeakPolarHBondContact O-CB 3.28Å
180I98.4Very high98.2Very high9 Ų913.5 Ų13.55%0.0467%0.067CC..Iπ-helixtrans-75.7-30.3-169.466177.8000113.8F159 E163 V166 D174 A177 F184F159-I180 WeakPolarHBondContact CD2-O 3.19Å; F159-I180 WeakPolarHBondContact CE2-O 3.24Å; E163-I180 HydrophobicContact CG-CD1 4.42Å; V166-I180 HydrophobicContact CB-CG2 3.88Å; V166-I180 HydrophobicContact CG1-CG2 3.56Å; V166-I180 HydrophobicContact CG2-CG2 4.04Å; D174-I180 PolarHBondContact OD2-N 3.44Å; A177-I180 HydrophobicContact CB-CD1 4.03Å; A177-I180 HydrophobicContact CB-CG1 3.5Å; A177-I180 VanDerWaalsContact CB-CG1 3.5Å; I180-F184 WeakPolarHBondContact O-CB 3.47Å
181I98.8Very high98.2Very high0 Ų012.6 Ų12.60%06%0.064CC..Iπ-helixtrans-101.5-60.4176.7-68.6170000110.2F127 A130 I134 F159 A177 G185 F232F127-I181 HydrophobicContact CB-CD1 3.47Å; F127-I181 VanDerWaalsContact CB-CD1 3.47Å; F127-I181 HydrophobicContact CB-CG1 4.42Å; F127-I181 HydrophobicContact CD1-CD1 4.05Å; F127-I181 HydrophobicContact CD2-CD1 4.38Å; F127-I181 HydrophobicContact CG-CD1 3.73Å; A130-I181 HydrophobicContact CB-CG2 4.21Å; I134-I181 HydrophobicContact CD1-CG2 3.76Å; F159-I181 HydrophobicContact CE2-CG1 3.91Å; F159-I181 HydrophobicContact CZ-CG1 4.2Å; A177-I181 HydrophobicContact CB-CB 3.75Å; A177-I181 HydrophobicContact CB-CD1 3.3Å; A177-I181 HydrophobicContact CB-CG1 3.51Å; A177-I181 WeakPolarHBondContact O-CB 3.46Å; A177-I181 PolarHBondContact O-N 3.35Å; A177-I181 VanDerWaalsContact O-N 3.1Å; I181-G185 WeakPolarHBondContact O-CA 3.13Å; I181-G185 PolarHBondContact O-N 3.48Å; I181-F232 HydrophobicContact CD1-CE1 4.23Å; I181-F232 HydrophobicContact CD1-CZ 3.76Å
182H98.9Very high98.4Very high2 Ų25.9 Ų5.91%0.0093%0.033CC..Iπ-helixtrans-75.9-53.6-164.6-66.9-60.4000113.2I134 A177 A186 W229 F232 V288 H341I134-H182 VanDerWaalsContact CD1-ND1 3.33Å; I134-H182 WeakPolarHBondContact CD1-ND1 3.38Å; A177-H182 PolarHBondContact O-N 2.77Å; A177-H182 VanDerWaalsContact O-N 3.1Å; H182-A186 WeakPolarHBondContact O-CB 3.29Å; H182-A186 PolarHBondContact O-N 3.48Å; H182-W229 AromaticContact CE1-CZ2 3.82Å; H182-W229 AromaticContact NE2-CZ2 3.93Å; H182-F232 AromaticContact NE2-CE1 3.93Å; H182-V288 HydrophobicContact CB-CG1 3.59Å; H182-H341 HydrophobicContact CB-CB 4.22Å; H182-H341 AromaticContact CE1-ND1 3.76Å; H182-H341 AromaticContact ND1-CE1 3.85Å; H182-H341 AromaticContact ND1-ND1 3.07Å; H182-H341 PolarHBondContact ND1-ND1 3.48Å
183A98.9Very high98.4Very high0 Ų05.5 Ų5.50%03%0.03CC..Iπ-helixtrans-62.5-48.3174.600000110.2S178 G185 A186 Y187 L377S178-A183 WeakPolarHBondContact O-CB 3.42Å; S178-A183 PolarHBondContact O-N 3.4Å; A183-G185 PolarHBondContact O-N 3.24Å; A183-A186 PolarHBondContact O-N 3.04Å; A183-Y187 HydrophobicContact CB-CD2 4.46Å; A183-Y187 WeakPolarHBondContact O-CD2 3.26Å; A183-Y187 PolarHBondContact O-N 2.81Å; A183-L377 HydrophobicContact CB-CD2 4.29Å
184F98.9Very high98.5Very high0 Ų010.2 Ų10.20%05%0.046CC..Hα-helixtrans-54.5-57.2178180-79.7000112.2T131 E155 I158 F159 N162 M179 I180 A186 Y187 F188 S376 F379 A380T131-F184 HydrophobicContact CG2-CD1 3.32Å; T131-F184 HydrophobicContact CG2-CE1 3.75Å; T131-F184 HydrophobicContact CG2-CG 4.44Å; E155-F184 HydrophobicContact CG-CE1 4.09Å; I158-F184 HydrophobicContact CB-CZ 4.42Å; I158-F184 HydrophobicContact CG2-CE2 4.2Å; I158-F184 HydrophobicContact CG2-CZ 3.97Å; F159-F184 HydrophobicContact CB-CE1 3.89Å; F159-F184 HydrophobicContact CB-CZ 3.95Å; F159-F184 HydrophobicContact CD2-CD1 4.21Å; F159-F184 HydrophobicContact CD2-CE1 4.32Å; N162-F184 HydrophobicContact CB-CD2 4.35Å; N162-F184 HydrophobicContact CB-CE2 4.11Å; M179-F184 PolarHBondContact O-N 3.12Å; M179-F184 VanDerWaalsContact O-N 3.09Å; I180-F184 WeakPolarHBondContact O-CB 3.47Å; F184-A186 VanDerWaalsContact C-N 3.34Å; F184-A186 PolarHBondContact O-N 3.02Å; F184-Y187 PolarHBondContact O-N 2.96Å; F184-F188 HydrophobicContact CD1-CB 4.5Å; F184-F188 HydrophobicContact CE1-CB 4.35Å; F184-F188 HydrophobicContact CE1-CD2 4.1Å; F184-F188 HydrophobicContact CE1-CG 4.45Å; F184-F188 HydrophobicContact CZ-CD2 4.12Å; F184-F188 VanDerWaalsContact O-CB 3.24Å; F184-F188 WeakPolarHBondContact O-CB 3.39Å; F184-F188 PolarHBondContact O-N 2.82Å; F184-S376 WeakPolarHBondContact CD2-O 3.33Å; F184-F379 HydrophobicContact CD2-CB 4.44Å; F184-F379 HydrophobicContact CE2-CB 3.87Å; F184-A380 HydrophobicContact CB-CB 4.44Å; F184-A380 HydrophobicContact CD2-CB 3.88Å; F184-A380 HydrophobicContact CE2-CB 4.31Å; F184-A380 HydrophobicContact CG-CB 4.07Å; F184-A380 WeakPolarHBondContact O-CB 3.24Å
185G98.9Very high98.6Very high0 Ų010.9 Ų10.90%05%0.05CC..Hα-helixtrans-63.4-40.2-175.800000111.9S135 I181 A183 F188 G189S135-G185 PolarHBondContact OG-O 3.17Å; I181-G185 WeakPolarHBondContact O-CA 3.13Å; I181-G185 PolarHBondContact O-N 3.48Å; A183-G185 PolarHBondContact O-N 3.24Å; G185-F188 PolarHBondContact O-N 3.22Å; G185-G189 PolarHBondContact O-N 2.85Å
186A98.9Very high98.7Very high0 Ų011.6 Ų11.60%05%0.054CC..Hα-helixtrans-60.7-53176.400000111.2I134 H182 A183 F184 F188 G189 L190 V337 H341 G342I134-A186 HydrophobicContact CG2-CB 4.21Å; H182-A186 WeakPolarHBondContact O-CB 3.29Å; H182-A186 PolarHBondContact O-N 3.48Å; A183-A186 PolarHBondContact O-N 3.04Å; F184-A186 VanDerWaalsContact C-N 3.34Å; F184-A186 PolarHBondContact O-N 3.02Å; A186-F188 VanDerWaalsContact C-N 3.33Å; A186-F188 PolarHBondContact O-N 2.83Å; A186-G189 PolarHBondContact O-N 3.07Å; A186-L190 WeakPolarHBondContact O-CB 3.43Å; A186-L190 WeakPolarHBondContact O-CD1 3.47Å; A186-L190 PolarHBondContact O-N 3.15Å; A186-V337 HydrophobicContact CB-CG2 4.44Å; A186-H341 HydrophobicContact CB-CB 3.91Å; A186-G342 VanDerWaalsContact CB-CA 3.42Å; A186-G342 VanDerWaalsContact CB-N 3.34Å
187Y98.9Very high98.7Very high34 Ų3414.5 Ų14.513%0.1337%0.065CC..Hα-helixtrans-73.9-24.9-175.9-69.9-70.8000113.3A183 F184 L190 A191 H338 I346 L377A183-Y187 HydrophobicContact CB-CD2 4.46Å; A183-Y187 WeakPolarHBondContact O-CD2 3.26Å; A183-Y187 PolarHBondContact O-N 2.81Å; F184-Y187 PolarHBondContact O-N 2.96Å; Y187-L190 HydrophobicContact CD1-CD2 4.4Å; Y187-A191 WeakPolarHBondContact O-CB 3.45Å; Y187-A191 PolarHBondContact O-N 3.48Å; Y187-H338 AromaticContact CE1-CE1 3.84Å; Y187-H338 AromaticContact CE1-ND1 3.74Å; Y187-H338 AromaticContact CZ-CE1 3.87Å; Y187-H338 AromaticContact CZ-ND1 3.86Å; Y187-H338 PolarHBondContact OH-CE1 2.87Å; Y187-I346 HydrophobicContact CE2-CD1 3.61Å; Y187-I346 HydrophobicContact CE2-CG1 3.96Å; Y187-I346 WeakPolarHBondContact OH-CD1 3.42Å; Y187-L377 HydrophobicContact CD2-CD2 3.18Å; Y187-L377 HydrophobicContact CE2-CD2 3.54Å; Y187-L377 HydrophobicContact CG-CD2 3.92Å
188F98.9Very high98.6Very high0 Ų015.6 Ų15.60%07%0.069CC..Hα-helixtrans-65.1-54.8169.3-172.5-76.9000110S135 M151 E155 I158 F184 G185 A186 L190 A191 V192 A380 G384 T387S135-F188 WeakPolarHBondContact OG-CD1 3.31Å; M151-F188 HydrophobicContact CG-CE1 3.98Å; E155-F188 HydrophobicContact CB-CD1 4.34Å; E155-F188 HydrophobicContact CB-CE1 3.7Å; E155-F188 HydrophobicContact CB-CE2 4.09Å; E155-F188 HydrophobicContact CB-CZ 3.55Å; E155-F188 VanDerWaalsContact CD-CD1 3.49Å; E155-F188 HydrophobicContact CG-CD1 3.87Å; E155-F188 HydrophobicContact CG-CD2 4.15Å; E155-F188 HydrophobicContact CG-CE1 3.75Å; E155-F188 HydrophobicContact CG-CE2 4.02Å; E155-F188 HydrophobicContact CG-CG 4.08Å; E155-F188 HydrophobicContact CG-CZ 3.82Å; I158-F188 HydrophobicContact CD1-CE2 4.15Å; F184-F188 HydrophobicContact CD1-CB 4.5Å; F184-F188 HydrophobicContact CE1-CB 4.35Å; F184-F188 HydrophobicContact CE1-CD2 4.1Å; F184-F188 HydrophobicContact CE1-CG 4.45Å; F184-F188 HydrophobicContact CZ-CD2 4.12Å; F184-F188 VanDerWaalsContact O-CB 3.24Å; F184-F188 WeakPolarHBondContact O-CB 3.39Å; F184-F188 PolarHBondContact O-N 2.82Å; G185-F188 PolarHBondContact O-N 3.22Å; A186-F188 VanDerWaalsContact C-N 3.33Å; A186-F188 PolarHBondContact O-N 2.83Å; F188-L190 VanDerWaalsContact C-N 3.33Å; F188-L190 PolarHBondContact O-N 2.85Å; F188-A191 PolarHBondContact O-N 2.95Å; F188-A191 VanDerWaalsContact O-N 3.14Å; F188-V192 HydrophobicContact CD1-CG2 3.94Å; F188-V192 HydrophobicContact CE1-CG2 3.76Å; F188-V192 WeakPolarHBondContact O-CG2 3.37Å; F188-V192 PolarHBondContact O-N 2.6Å; F188-A380 WeakPolarHBondContact CA-O 3.28Å; F188-A380 HydrophobicContact CB-CB 4.15Å; F188-G384 VanDerWaalsContact CD2-N 3.33Å; F188-G384 VanDerWaalsContact CE2-N 3.3Å; F188-T387 HydrophobicContact CE1-CG2 4.02Å; F188-T387 HydrophobicContact CZ-CG2 3.92Å; F188-T387 VanDerWaalsContact CZ-OG1 3.29Å; F188-T387 WeakPolarHBondContact CZ-OG1 3.46Å
189G98.9Very high98.5Very high0 Ų019.9 Ų19.90%010%0.097CC..Hα-helixtrans-58.3-41.5176.900000113.2S135 A138 G185 A186 V192 A193S135-G189 WeakPolarHBondContact OG-CA 3.47Å; S135-G189 PolarHBondContact OG-N 2.86Å; S135-G189 VanDerWaalsContact OG-N 3.1Å; A138-G189 VanDerWaalsContact CB-C 3.45Å; A138-G189 WeakPolarHBondContact CB-O 3.41Å; G185-G189 PolarHBondContact O-N 2.85Å; A186-G189 PolarHBondContact O-N 3.07Å; G189-V192 PolarHBondContact O-N 2.8Å; G189-A193 VanDerWaalsContact O-CB 3.3Å; G189-A193 WeakPolarHBondContact O-CB 3.44Å; G189-A193 PolarHBondContact O-N 3.43Å
190L98.9Very high98.3Very high9 Ų922.4 Ų22.45%0.04712%0.122CC..Hα-helixtrans-63.5-41.3175.5-94.272.3000112.1A138 A186 Y187 F188 A193 R194 I331 V337 H338A138-L190 HydrophobicContact CB-CD1 4.43Å; A186-L190 WeakPolarHBondContact O-CB 3.43Å; A186-L190 WeakPolarHBondContact O-CD1 3.47Å; A186-L190 PolarHBondContact O-N 3.15Å; Y187-L190 HydrophobicContact CD1-CD2 4.4Å; F188-L190 VanDerWaalsContact C-N 3.33Å; F188-L190 PolarHBondContact O-N 2.85Å; L190-A193 PolarHBondContact O-N 3.47Å; L190-R194 WeakPolarHBondContact O-CB 3.47Å; L190-R194 PolarHBondContact O-N 2.92Å; L190-I331 HydrophobicContact CB-CG2 4.33Å; L190-I331 HydrophobicContact CD2-CG2 4.26Å; L190-I331 HydrophobicContact CG-CG2 3.91Å; L190-V337 HydrophobicContact CD1-CG2 3.52Å; L190-H338 HydrophobicContact CD1-CB 4.1Å; L190-H338 HydrophobicContact CD2-CB 3.86Å
191A98.9Very high98.2Very high12 Ų1222.7 Ų22.710%0.09912%0.124CC..Hα-helixtrans-64.6-42.417600000111.3Y187 F188 R194 V195 L381Y187-A191 WeakPolarHBondContact O-CB 3.45Å; Y187-A191 PolarHBondContact O-N 3.48Å; F188-A191 PolarHBondContact O-N 2.95Å; F188-A191 VanDerWaalsContact O-N 3.14Å; A191-R194 PolarHBondContact O-N 2.91Å; A191-V195 WeakPolarHBondContact O-CG2 3.44Å; A191-V195 PolarHBondContact O-N 3.21Å; A191-L381 HydrophobicContact CB-CD2 4.41Å
192V98.9Very high97.9Very high0 Ų030.7 Ų30.70%015%0.154CC..Hα-helixtrans-59.4-52.3172.4177.10000110.3V139 M151 F188 G189 R194 V195 L196 G384 T387 M391V139-V192 HydrophobicContact CG1-CB 4.26Å; V139-V192 HydrophobicContact CG1-CG1 3.77Å; M151-V192 HydrophobicContact SD-CG1 4.45Å; F188-V192 HydrophobicContact CD1-CG2 3.94Å; F188-V192 HydrophobicContact CE1-CG2 3.76Å; F188-V192 WeakPolarHBondContact O-CG2 3.37Å; F188-V192 PolarHBondContact O-N 2.6Å; G189-V192 PolarHBondContact O-N 2.8Å; V192-R194 PolarHBondContact O-N 3.17Å; V192-V195 PolarHBondContact O-N 2.75Å; V192-V195 VanDerWaalsContact O-N 3.12Å; V192-L196 HydrophobicContact CG1-CD1 3.72Å; V192-L196 HydrophobicContact CG1-CG 4.24Å; V192-L196 WeakPolarHBondContact O-CB 3.39Å; V192-L196 WeakPolarHBondContact O-CG 3.34Å; V192-L196 PolarHBondContact O-N 3.49Å; V192-G384 WeakPolarHBondContact CG2-O 3.41Å; V192-T387 HydrophobicContact CG2-CG2 4.22Å; V192-M391 HydrophobicContact CG1-CE 4.01Å; V192-M391 HydrophobicContact CG1-SD 3.66Å
193A98.8Very high97.5Very high4 Ų437.4 Ų37.43%0.03319%0.19CC..Hα-helixtrans-57.7-37.6-18000000112A138 V139 G189 L190 L196 Y197A138-A193 HydrophobicContact CB-CB 4.36Å; V139-A193 HydrophobicContact CG1-CB 4.06Å; G189-A193 VanDerWaalsContact O-CB 3.3Å; G189-A193 WeakPolarHBondContact O-CB 3.44Å; G189-A193 PolarHBondContact O-N 3.43Å; L190-A193 PolarHBondContact O-N 3.47Å; A193-L196 CarbonylContact O-C 3.57Å; A193-L196 PolarHBondContact O-N 3.36Å; A193-Y197 PolarHBondContact O-N 2.99Å
194R98.6Very high97.1Very high120 Ų12039.5 Ų39.545%0.45321%0.212SC..Hα-helixtrans-67.5-42.3176.6-178.451.8-173.983.1-2.1112.8L190 A191 V192 L196 Y197 L329 G330 I331L190-R194 WeakPolarHBondContact O-CB 3.47Å; L190-R194 PolarHBondContact O-N 2.92Å; A191-R194 PolarHBondContact O-N 2.91Å; V192-R194 PolarHBondContact O-N 3.17Å; R194-L196 VanDerWaalsContact C-N 3.3Å; R194-Y197 WeakPolarHBondContact O-CB 3.26Å; R194-Y197 PolarHBondContact O-N 2.87Å; R194-L329 VanDerWaalsContact CD-O 3.22Å; R194-L329 WeakPolarHBondContact CD-O 3.24Å; R194-L329 PolarHBondContact NE-O 3.41Å; R194-G330 WeakPolarHBondContact CD-O 3.42Å; R194-I331 HydrophobicContact CB-CG1 4.09Å; R194-I331 HydrophobicContact CG-CG1 4.23Å
195V98.7Very high97Very high26 Ų2641.2 Ų41.216%0.15822%0.22CC..Hα-helixtrans-67.4-37.5177.5173.40000110.8A191 V192 Y197 A385 L389 K392A191-V195 WeakPolarHBondContact O-CG2 3.44Å; A191-V195 PolarHBondContact O-N 3.21Å; V192-V195 PolarHBondContact O-N 2.75Å; V192-V195 VanDerWaalsContact O-N 3.12Å; V195-Y197 VanDerWaalsContact C-N 3.26Å; V195-Y197 PolarHBondContact O-N 3.38Å; V195-A385 HydrophobicContact CG2-CB 4.45Å; V195-L389 HydrophobicContact CG1-CD2 3.91Å; V195-L389 HydrophobicContact CG1-CG 4.1Å; V195-K392 HydrophobicContact CG1-CD 4.11Å; V195-K392 PolarHBondContact O-NZ 3.22Å
196L98.2Very high96.9Very high25 Ų2548.9 Ų48.913%0.13126%0.256CS..THydrogen-bonded Turntrans-83.912.7177.1-62.2-175.2000114.1T143 V192 A193 R194 R198 M391 K392T143-L196 HydrophobicContact CG2-CD1 3.94Å; V192-L196 HydrophobicContact CG1-CD1 3.72Å; V192-L196 HydrophobicContact CG1-CG 4.24Å; V192-L196 WeakPolarHBondContact O-CB 3.39Å; V192-L196 WeakPolarHBondContact O-CG 3.34Å; V192-L196 PolarHBondContact O-N 3.49Å; A193-L196 CarbonylContact O-C 3.57Å; A193-L196 PolarHBondContact O-N 3.36Å; R194-L196 VanDerWaalsContact C-N 3.3Å; L196-R198 WeakPolarHBondContact O-CG 3.27Å; L196-R198 PolarHBondContact O-N 3.11Å; L196-M391 HydrophobicContact CD1-CB 4.12Å; L196-M391 HydrophobicContact CD1-CE 3.98Å; L196-M391 HydrophobicContact CD2-CB 4.16Å; L196-K392 HydrophobicContact CD2-CB 3.81Å; L196-K392 HydrophobicContact CD2-CG 4.28Å
197Y97.9Very high96.8Very high62 Ų6249.4 Ų49.424%0.24326%0.259CS..  trans-45.2129.7-179.7174.1-104.8000112.6A193 R194 V195 P199 G330 Q332A193-Y197 PolarHBondContact O-N 2.99Å; R194-Y197 WeakPolarHBondContact O-CB 3.26Å; R194-Y197 PolarHBondContact O-N 2.87Å; V195-Y197 VanDerWaalsContact C-N 3.26Å; V195-Y197 PolarHBondContact O-N 3.38Å; Y197-P199 HydrophobicContact CD1-CG 4.3Å; Y197-P199 HydrophobicContact CE1-CB 4.34Å; Y197-P199 HydrophobicContact CE1-CG 4.03Å; Y197-G330 WeakPolarHBondContact CD2-O 3.19Å; Y197-Q332 HydrophobicContact CD2-CG 4.22Å; Y197-Q332 HydrophobicContact CE2-CG 4.3Å
198R96.4Very high96.6Very high25 Ų2551.2 Ų51.29%0.09427%0.27CS..  trans-110106.8-177-69.6-179.3173.7-90.58.9111K142 L196 G200 L201 Q332 P399 D401K142-R198 PolarHBondContact O-NE 3.22Å; K142-R198 PolarHBondContact O-NH2 3.14Å; L196-R198 WeakPolarHBondContact O-CG 3.27Å; L196-R198 PolarHBondContact O-N 3.11Å; R198-G200 VanDerWaalsContact C-N 3.25Å; R198-G200 PolarHBondContact O-N 2.68Å; R198-L201 HydrophobicContact CB-CB 4.29Å; R198-L201 HydrophobicContact CB-CD1 3.8Å; R198-L201 HydrophobicContact CB-CG 3.8Å; R198-L201 HydrophobicContact CG-CD1 4.3Å; R198-L201 PolarHBondContact O-N 3.34Å; R198-L201 VanDerWaalsContact O-N 3.1Å; R198-Q332 PolarHBondContact O-NE2 2.87Å; R198-P399 VanDerWaalsContact CZ-O 3.26Å; R198-P399 PolarHBondContact NH1-O 3.28Å; R198-P399 PolarHBondContact NH2-O 3.25Å; R198-D401 WeakPolarHBondContact CD-OD1 3.48Å; R198-D401 WeakPolarHBondContact CG-OD1 3.28Å; R198-D401 IonicContact CZ-OD1 3.54Å; R198-D401 IonicContact NE-OD1 2.84Å; R198-D401 IonicContact NH1-OD1 3.58Å; R198-D401 PolarHBondContact NH1-OD1 2.95Å
199P95.2Very high96.5Very high90 Ų9052.3 Ų52.358%0.58428%0.282SS*.G310 helixtrans-59.9-32.4-178.1-24.434.2000113.9Y197 L201 R202Y197-P199 HydrophobicContact CD1-CG 4.3Å; Y197-P199 HydrophobicContact CE1-CB 4.34Å; Y197-P199 HydrophobicContact CE1-CG 4.03Å; P199-L201 PolarHBondContact O-N 2.98Å; P199-R202 WeakPolarHBondContact O-CB 2.95Å; P199-R202 PolarHBondContact O-N 2.96Å
200G95.3Very high96.4Very high52 Ų5254.5 Ų54.554%0.53630%0.297SS..G310 helixtrans-66.9-18.8178.800000113.8R198 D401R198-G200 VanDerWaalsContact C-N 3.25Å; R198-G200 PolarHBondContact O-N 2.68Å; G200-D401 VanDerWaalsContact CA-OD2 3.23Å; G200-D401 WeakPolarHBondContact CA-OD2 3.46Å; G200-D401 PolarHBondContact N-OD2 3.46Å
201L95.4Very high96.3Very high15 Ų1556.6 Ų56.68%0.07931%0.31CS..G310 helixtrans-95.84.1178-51.2-176.7000113K142 R198 P199 N203 G204 H205 D401 C404 F405K142-L201 HydrophobicContact CD-CD1 3.95Å; K142-L201 HydrophobicContact CG-CD1 3.95Å; R198-L201 HydrophobicContact CB-CB 4.29Å; R198-L201 HydrophobicContact CB-CD1 3.8Å; R198-L201 HydrophobicContact CB-CG 3.8Å; R198-L201 HydrophobicContact CG-CD1 4.3Å; R198-L201 PolarHBondContact O-N 3.34Å; R198-L201 VanDerWaalsContact O-N 3.1Å; P199-L201 PolarHBondContact O-N 2.98Å; L201-N203 PolarHBondContact O-N 3.24Å; L201-G204 PolarHBondContact O-N 2.88Å; L201-G204 VanDerWaalsContact O-N 3.08Å; L201-H205 HydrophobicContact CD2-CB 3.99Å; L201-D401 HydrophobicContact CD2-CB 4.34Å; L201-D401 WeakPolarHBondContact CD2-O 3.4Å; L201-C404 HydrophobicContact CD1-CB 4.3Å; L201-C404 HydrophobicContact CD2-CB 4.31Å; L201-F405 HydrophobicContact CD1-CE2 4.04Å; L201-F405 HydrophobicContact CD1-CZ 4.25Å; L201-F405 HydrophobicContact CD2-CE2 4.36Å
202R92.8Very high96.3Very high169 Ų16964.8 Ų64.864%0.63834%0.34SS*.THydrogen-bonded Turntrans-57.6-34-176-174-178.773.3176.4-0.6113.1P199P199-R202 WeakPolarHBondContact O-CB 2.95Å; P199-R202 PolarHBondContact O-N 2.96Å
203N90.4Very high96.2Very high142 Ų14270.2 Ų70.276%0.75937%0.365SS*.THydrogen-bonded Turntrans-99.920.4-177.4-58.3-21.9000112.1L201L201-N203 PolarHBondContact O-N 3.24Å
204G91.8Very high96.2Very high45 Ų4570.4 Ų70.446%0.46437%0.366SS..  trans83.1176.3-171.900000113L201L201-G204 PolarHBondContact O-N 2.88Å; L201-G204 VanDerWaalsContact O-N 3.08Å
205H96.2Very high96.2Very high35 Ų3565.6 Ų65.616%0.16235%0.349CS..  trans-138.1142.8177.6-172.1-86.4000109.4L201 N207 D208 C404 F405L201-H205 HydrophobicContact CD2-CB 3.99Å; H205-N207 PolarHBondContact ND1-N 2.94Å; H205-N207 VanDerWaalsContact ND1-N 3.11Å; H205-N207 PolarHBondContact O-N 3.19Å; H205-D208 HydrophobicContact CB-CB 3.95Å; H205-D208 WeakPolarHBondContact O-CB 3.23Å; H205-D208 PolarHBondContact O-N 3.32Å; H205-C404 PolarHBondContact CE1-O 2.82Å; H205-F405 HydrophobicContact CB-CD2 4.01Å; H205-F405 HydrophobicContact CB-CE2 3.82Å; H205-F405 AromaticContact CG-CD2 3.82Å; H205-F405 AromaticContact ND1-CD2 3.62Å
206E95.9Very high96.1Very high162 Ų16268.7 Ų68.776%0.75736%0.364SS*.THydrogen-bonded Turntrans-59.5-36.5-175.6-174.8-176.4168.200112.8K80K80-E206 WeakPolarHBondContact CE-O 3.36Å; K80-E206 PolarHBondContact NZ-O 3.42Å
207N96.8Very high96.1Very high11 Ų1172.4 Ų72.46%0.05938%0.38CS..THydrogen-bonded Turntrans-82.9-8177.8-63.4-17.2000114.3H205 G209 F405H205-N207 PolarHBondContact ND1-N 2.94Å; H205-N207 VanDerWaalsContact ND1-N 3.11Å; H205-N207 PolarHBondContact O-N 3.19Å; N207-G209 VanDerWaalsContact C-N 3.31Å; N207-G209 PolarHBondContact O-N 2.97Å; N207-F405 HydrophobicContact CB-CB 3.8Å; N207-F405 WeakPolarHBondContact CB-O 3.43Å
208D96.3Very high96.2Very high71 Ų7169.5 Ų69.538%0.3837%0.368SS..SBendtrans-83.478176.8-171.212.4000109.6H205 F405H205-D208 HydrophobicContact CB-CB 3.95Å; H205-D208 WeakPolarHBondContact O-CB 3.23Å; H205-D208 PolarHBondContact O-N 3.32Å; D208-F405 HydrophobicContact CB-CD1 4.5Å; D208-F405 HydrophobicContact CB-CD2 3.98Å; D208-F405 HydrophobicContact CB-CE1 4.37Å; D208-F405 HydrophobicContact CB-CE2 3.83Å; D208-F405 HydrophobicContact CB-CG 4.32Å; D208-F405 HydrophobicContact CB-CZ 4.03Å
209G95.3Very high96.3Very high23 Ų2370.3 Ų70.324%0.23737%0.374CS..SBendtrans174.3173.8-17900000112.6K80 N207K80-G209 WeakPolarHBondContact CG-O 3.1Å; K80-G209 PolarHBondContact N-O 3.41Å; N207-G209 VanDerWaalsContact C-N 3.31Å; N207-G209 PolarHBondContact O-N 2.97Å
210S97.4Very high96.4Very high46 Ų4669.1 Ų69.132%0.32236%0.361SS..  trans-105.3170.4-176.568.30000113.8F78 D215F78-S210 WeakPolarHBondContact O-CA 3.33Å; F78-S210 WeakPolarHBondContact O-CB 3.47Å; S210-D215 VanDerWaalsContact CB-CG 3.49Å; S210-D215 VanDerWaalsContact CB-OD1 3.25Å; S210-D215 WeakPolarHBondContact CB-OD1 3.09Å; S210-D215 VanDerWaalsContact CB-OD2 3.3Å; S210-D215 WeakPolarHBondContact CB-OD2 3.46Å; S210-D215 VanDerWaalsContact OG-CG 3.32Å; S210-D215 PolarHBondContact OG-OD1 3.34Å; S210-D215 PolarHBondContact OG-OD2 3.04Å
211V97.7Very high96.6Very high53 Ų5366.6 Ų66.632%0.32134%0.336SS..  trans-133.4164.1165-69.50000108K80 H213 S214 D215K80-V211 HydrophobicContact CB-CB 4.3Å; K80-V211 HydrophobicContact CB-CG1 3.84Å; K80-V211 HydrophobicContact CB-CG2 3.73Å; K80-V211 HydrophobicContact CD-CG1 3.9Å; V211-H213 VanDerWaalsContact C-N 3.31Å; V211-H213 WeakPolarHBondContact CG2-CE1 3.37Å; V211-H213 WeakPolarHBondContact CG2-NE2 3.4Å; V211-H213 PolarHBondContact O-N 3.39Å; V211-H213 VanDerWaalsContact O-N 3.11Å; V211-S214 PolarHBondContact N-OG 3.44Å; V211-S214 PolarHBondContact O-N 3.48Å; V211-S214 PolarHBondContact O-OG 3.44Å; V211-D215 PolarHBondContact O-N 3.37Å
212Y97.9Very high96.8Very high185 Ų18566.1 Ų66.173%0.72533%0.333SS*.Hα-helixtrans-49.8-46.5-171-175.8-99.7000114.6L216Y212-L216 HydrophobicContact CD1-CD1 3.97Å; Y212-L216 HydrophobicContact CE1-CD1 3.47Å; Y212-L216 VanDerWaalsContact CE1-CD1 3.47Å; Y212-L216 HydrophobicContact CE1-CG 4.22Å; Y212-L216 WeakPolarHBondContact O-CG 3.41Å; Y212-L216 PolarHBondContact O-N 3.23Å
213H97.2Very high97.1Very high114 Ų11461.1 Ų61.153%0.52832%0.321SS..Hα-helixtrans-74.6-31.9-178.559.4-93.5000113V211 D215 L216 F217V211-H213 VanDerWaalsContact C-N 3.31Å; V211-H213 WeakPolarHBondContact CG2-CE1 3.37Å; V211-H213 WeakPolarHBondContact CG2-NE2 3.4Å; V211-H213 PolarHBondContact O-N 3.39Å; V211-H213 VanDerWaalsContact O-N 3.11Å; H213-D215 VanDerWaalsContact C-N 3.3Å; H213-L216 PolarHBondContact O-N 3.42Å; H213-F217 WeakPolarHBondContact O-CD2 3.49Å; H213-F217 PolarHBondContact O-N 3.27Å
214S98.1Very high97.5Very high7 Ų757.3 Ų57.35%0.04930%0.298CS..Hα-helixtrans-68-35.4176.571.70000110.7T77 F78 V211 F217 A218T77-S214 WeakPolarHBondContact O-CB 3.3Å; F78-S214 WeakPolarHBondContact O-CB 3.25Å; F78-S214 PolarHBondContact O-OG 2.99Å; V211-S214 PolarHBondContact N-OG 3.44Å; V211-S214 PolarHBondContact O-N 3.48Å; V211-S214 PolarHBondContact O-OG 3.44Å; S214-F217 PolarHBondContact O-N 3.02Å; S214-A218 PolarHBondContact O-N 2.65Å
215D98.6Very high97.8Very high19 Ų1955.3 Ų55.310%0.10228%0.277CS..Hα-helixtrans-67.4-35.7172.7-78.9-35.1000113.4S210 V211 H213 A218 M219 M276 Q280S210-D215 VanDerWaalsContact CB-CG 3.49Å; S210-D215 VanDerWaalsContact CB-OD1 3.25Å; S210-D215 WeakPolarHBondContact CB-OD1 3.09Å; S210-D215 VanDerWaalsContact CB-OD2 3.3Å; S210-D215 WeakPolarHBondContact CB-OD2 3.46Å; S210-D215 VanDerWaalsContact OG-CG 3.32Å; S210-D215 PolarHBondContact OG-OD1 3.34Å; S210-D215 PolarHBondContact OG-OD2 3.04Å; V211-D215 PolarHBondContact O-N 3.37Å; H213-D215 VanDerWaalsContact C-N 3.3Å; D215-A218 PolarHBondContact O-N 3.01Å; D215-M219 WeakPolarHBondContact O-CG 3.32Å; D215-M219 PolarHBondContact O-N 3.05Å; D215-M276 HydrophobicContact CB-CB 4.4Å; D215-M276 HydrophobicContact CB-CE 4.47Å; D215-M276 HydrophobicContact CB-CG 4.4Å; D215-Q280 VanDerWaalsContact CA-NE2 3.32Å; D215-Q280 PolarHBondContact O-NE2 2.98Å; D215-Q280 VanDerWaalsContact O-NE2 3.1Å; D215-Q280 PolarHBondContact OD1-NE2 3.47Å
216L98.3Very high97.9Very high92 Ų9256.9 Ų56.948%0.48228%0.282SS..Hα-helixtrans-65.3-40.4172.6-70.6179000111.7Y212 H213 M219 I220Y212-L216 HydrophobicContact CD1-CD1 3.97Å; Y212-L216 HydrophobicContact CE1-CD1 3.47Å; Y212-L216 VanDerWaalsContact CE1-CD1 3.47Å; Y212-L216 HydrophobicContact CE1-CG 4.22Å; Y212-L216 WeakPolarHBondContact O-CG 3.41Å; Y212-L216 PolarHBondContact O-N 3.23Å; H213-L216 PolarHBondContact O-N 3.42Å; L216-M219 PolarHBondContact O-N 3.41Å; L216-I220 PolarHBondContact O-N 2.86Å
217F97.9Very high98.1Very high103 Ų10353.4 Ų53.445%0.45227%0.266SS..Hα-helixtrans-64.6-42.1173.3-81.4-65.7000111.8F74 T77 H213 S214 M219 I220F74-F217 HydrophobicContact CD1-CB 4.33Å; F74-F217 HydrophobicContact CD1-CD1 4.02Å; F74-F217 AromaticContact CE1-CD1 3.8Å; F74-F217 HydrophobicContact CE1-CD1 3.8Å; F74-F217 HydrophobicContact CE1-CE1 4.35Å; T77-F217 WeakPolarHBondContact OG1-CB 3.39Å; H213-F217 WeakPolarHBondContact O-CD2 3.49Å; H213-F217 PolarHBondContact O-N 3.27Å; S214-F217 PolarHBondContact O-N 3.02Å; F217-M219 VanDerWaalsContact C-N 3.25Å; F217-M219 PolarHBondContact O-N 3.13Å; F217-I220 HydrophobicContact CD1-CD1 3.87Å; F217-I220 HydrophobicContact CE1-CD1 4.41Å; F217-I220 VanDerWaalsContact O-CB 3.25Å; F217-I220 WeakPolarHBondContact O-CB 3.18Å; F217-I220 PolarHBondContact O-N 3.01Å
218A98.7Very high98.2Very high0 Ų055 Ų550%027%0.273CS..Hα-helixtrans-61.4-32.8175.400000113.6F74 L75 F78 S214 D215 I220 G221 T222 Q280F74-A218 VanDerWaalsContact O-CA 3.28Å; F74-A218 WeakPolarHBondContact O-CA 3.37Å; L75-A218 WeakPolarHBondContact O-CB 3.45Å; F78-A218 HydrophobicContact CB-CB 3.79Å; S214-A218 PolarHBondContact O-N 2.65Å; D215-A218 PolarHBondContact O-N 3.01Å; A218-I220 VanDerWaalsContact C-N 3.26Å; A218-I220 PolarHBondContact O-N 3.08Å; A218-G221 PolarHBondContact O-N 3.21Å; A218-T222 PolarHBondContact O-N 3.37Å; A218-T222 PolarHBondContact O-OG1 3.23Å; A218-T222 VanDerWaalsContact O-OG1 3.08Å; A218-Q280 HydrophobicContact CB-CG 4.27Å
219M98.7Very high98.3Very high43 Ų4351.8 Ų51.821%0.21226%0.255CS..Hα-helixtrans-65.2-26.4172.8-78.1-57.6-55.300113.7D215 L216 F217 T222 V223 M276 I279 Q280D215-M219 WeakPolarHBondContact O-CG 3.32Å; D215-M219 PolarHBondContact O-N 3.05Å; L216-M219 PolarHBondContact O-N 3.41Å; F217-M219 VanDerWaalsContact C-N 3.25Å; F217-M219 PolarHBondContact O-N 3.13Å; M219-T222 HydrophobicContact CE-CG2 4.04Å; M219-T222 WeakPolarHBondContact O-CB 3.46Å; M219-T222 PolarHBondContact O-N 3.31Å; M219-T222 HydrophobicContact SD-CG2 4.26Å; M219-V223 HydrophobicContact CE-CG2 4.15Å; M219-V223 WeakPolarHBondContact O-CG2 3.25Å; M219-V223 PolarHBondContact O-N 3.19Å; M219-M276 HydrophobicContact CG-CE 3.29Å; M219-M276 HydrophobicContact SD-CE 3.59Å; M219-M276 VanDerWaalsContact SD-CE 3.59Å; M219-I279 HydrophobicContact CE-CG2 4.28Å; M219-I279 HydrophobicContact SD-CG2 4.11Å; M219-Q280 HydrophobicContact CG-CG 4.07Å; M219-Q280 HydrophobicContact SD-CB 4.34Å; M219-Q280 HydrophobicContact SD-CG 3.48Å; M219-Q280 WeakPolarHBondContact SD-CG 3.28Å
220I98.7Very high98.5Very high64 Ų6451.4 Ų51.433%0.32825%0.249SC..Hα-helixtrans-59.8-51.4171.8-60.4176.7000108.9I70 F74 L216 F217 A218 T222 V223 F224I70-I220 HydrophobicContact CG2-CG2 4.06Å; F74-I220 HydrophobicContact CB-CB 4.3Å; F74-I220 HydrophobicContact CD1-CB 4.46Å; F74-I220 HydrophobicContact CD1-CD1 4.42Å; F74-I220 HydrophobicContact CG-CB 4.44Å; F74-I220 HydrophobicContact CG-CG2 4.38Å; L216-I220 PolarHBondContact O-N 2.86Å; F217-I220 HydrophobicContact CD1-CD1 3.87Å; F217-I220 HydrophobicContact CE1-CD1 4.41Å; F217-I220 VanDerWaalsContact O-CB 3.25Å; F217-I220 WeakPolarHBondContact O-CB 3.18Å; F217-I220 PolarHBondContact O-N 3.01Å; A218-I220 VanDerWaalsContact C-N 3.26Å; A218-I220 PolarHBondContact O-N 3.08Å; I220-T222 VanDerWaalsContact C-N 3.32Å; I220-T222 PolarHBondContact O-N 2.6Å; I220-V223 PolarHBondContact O-N 2.91Å; I220-F224 HydrophobicContact CG2-CD2 3.81Å; I220-F224 HydrophobicContact CG2-CE2 3.92Å; I220-F224 WeakPolarHBondContact O-CD2 3.44Å; I220-F224 PolarHBondContact O-N 3.46Å; I220-F224 VanDerWaalsContact O-N 3.09Å
221G98.8Very high98.5Very high0 Ų050 Ų500%024%0.239CC..Hα-helixtrans-57.4-46.5177.100000112.3G71 A218 V223 F224 L225G71-G221 WeakPolarHBondContact O-CA 3.44Å; A218-G221 PolarHBondContact O-N 3.21Å; G221-V223 PolarHBondContact O-N 3Å; G221-F224 PolarHBondContact O-N 3.3Å; G221-L225 WeakPolarHBondContact O-CB 3.35Å; G221-L225 VanDerWaalsContact O-CG 3.26Å; G221-L225 WeakPolarHBondContact O-CG 3.31Å; G221-L225 PolarHBondContact O-N 3.08Å
222T98.9Very high98.6Very high4 Ų447.6 Ų47.63%0.02522%0.224CC..Hα-helixtrans-54.3-51.5176.8-55.40000112.2L75 A218 M219 I220 L225 W226 Q280 L284L75-T222 WeakPolarHBondContact CD1-OG1 3.28Å; A218-T222 PolarHBondContact O-N 3.37Å; A218-T222 PolarHBondContact O-OG1 3.23Å; A218-T222 VanDerWaalsContact O-OG1 3.08Å; M219-T222 HydrophobicContact CE-CG2 4.04Å; M219-T222 WeakPolarHBondContact O-CB 3.46Å; M219-T222 PolarHBondContact O-N 3.31Å; M219-T222 HydrophobicContact SD-CG2 4.26Å; I220-T222 VanDerWaalsContact C-N 3.32Å; I220-T222 PolarHBondContact O-N 2.6Å; T222-L225 PolarHBondContact O-N 3.31Å; T222-W226 WeakPolarHBondContact O-CB 3.44Å; T222-W226 PolarHBondContact O-N 3.02Å; T222-Q280 WeakPolarHBondContact CG2-O 3.3Å; T222-Q280 VanDerWaalsContact OG1-CA 3.23Å; T222-Q280 WeakPolarHBondContact OG1-CA 3.34Å; T222-Q280 WeakPolarHBondContact OG1-CB 3.44Å; T222-Q280 PolarHBondContact OG1-O 3.36Å; T222-L284 HydrophobicContact CG2-CD1 4.45Å; T222-L284 HydrophobicContact CG2-CD2 4.21Å; T222-L284 HydrophobicContact CG2-CG 4.36Å
223V98.8Very high98.6Very high64 Ų6438.8 Ų38.839%0.38819%0.19SC..Hα-helixtrans-67.8-40.4-174.8170.10000111.3M219 I220 G221 W226 M227M219-V223 HydrophobicContact CE-CG2 4.15Å; M219-V223 WeakPolarHBondContact O-CG2 3.25Å; M219-V223 PolarHBondContact O-N 3.19Å; I220-V223 PolarHBondContact O-N 2.91Å; G221-V223 PolarHBondContact O-N 3Å; V223-W226 PolarHBondContact O-N 3.47Å; V223-M227 HydrophobicContact CG1-CE 3.71Å; V223-M227 HydrophobicContact CG1-CG 4.31Å; V223-M227 HydrophobicContact CG1-SD 3.93Å; V223-M227 WeakPolarHBondContact O-CB 3.36Å; V223-M227 VanDerWaalsContact O-CG 3.29Å; V223-M227 WeakPolarHBondContact O-CG 3.44Å; V223-M227 PolarHBondContact O-N 3.29Å
224F98.8Very high98.7Very high63 Ų6333.4 Ų33.428%0.27617%0.165SC..Hα-helixtrans-66-41.1175.9-86.1-80.4000112.4V66 I70 I220 G221 M227 F228V66-F224 HydrophobicContact CG1-CB 4.4Å; V66-F224 HydrophobicContact CG1-CD1 3.46Å; V66-F224 VanDerWaalsContact CG1-CD1 3.46Å; V66-F224 HydrophobicContact CG1-CE1 3.99Å; V66-F224 HydrophobicContact CG1-CG 4.16Å; I70-F224 HydrophobicContact CG2-CB 4.28Å; I70-F224 HydrophobicContact CG2-CD2 3.65Å; I70-F224 HydrophobicContact CG2-CE2 4.11Å; I70-F224 HydrophobicContact CG2-CG 3.93Å; I220-F224 HydrophobicContact CG2-CD2 3.81Å; I220-F224 HydrophobicContact CG2-CE2 3.92Å; I220-F224 WeakPolarHBondContact O-CD2 3.44Å; I220-F224 PolarHBondContact O-N 3.46Å; I220-F224 VanDerWaalsContact O-N 3.09Å; G221-F224 PolarHBondContact O-N 3.3Å; F224-M227 HydrophobicContact CD1-CE 4.34Å; F224-F228 HydrophobicContact CD1-CD2 4.14Å; F224-F228 AromaticContact CD1-CE2 3.64Å; F224-F228 HydrophobicContact CD1-CE2 3.64Å; F224-F228 HydrophobicContact CD1-CZ 4.36Å; F224-F228 HydrophobicContact CE1-CE2 4.08Å; F224-F228 HydrophobicContact CE1-CZ 4.49Å; F224-F228 WeakPolarHBondContact O-CB 3.39Å; F224-F228 PolarHBondContact O-N 3.02Å
225L98.9Very high98.6Very high2 Ų233.1 Ų33.11%0.0116%0.163CC..Hα-helixtrans-59.6-49.8172.4-71.3168.3000110.9M67 F72 L75 G221 T222 M227 F228 W229 L284M67-L225 HydrophobicContact CB-CD2 3.82Å; M67-L225 HydrophobicContact CE-CD2 3.84Å; M67-L225 HydrophobicContact CG-CD2 4.12Å; F72-L225 HydrophobicContact CD2-CD2 4.18Å; F72-L225 HydrophobicContact CE2-CD2 4.21Å; L75-L225 HydrophobicContact CB-CD1 4.3Å; L75-L225 HydrophobicContact CD2-CD1 3.72Å; G221-L225 WeakPolarHBondContact O-CB 3.35Å; G221-L225 VanDerWaalsContact O-CG 3.26Å; G221-L225 WeakPolarHBondContact O-CG 3.31Å; G221-L225 PolarHBondContact O-N 3.08Å; T222-L225 PolarHBondContact O-N 3.31Å; L225-M227 PolarHBondContact O-N 3.41Å; L225-F228 PolarHBondContact O-N 3.02Å; L225-W229 HydrophobicContact CB-CE3 4.06Å; L225-W229 HydrophobicContact CB-CZ3 3.87Å; L225-W229 WeakPolarHBondContact O-CB 3.43Å; L225-W229 PolarHBondContact O-N 3.35Å; L225-L284 HydrophobicContact CB-CD1 4.12Å; L225-L284 HydrophobicContact CB-CD2 4.01Å; L225-L284 HydrophobicContact CD1-CD1 3.77Å
226W98.9Very high98.3Very high69 Ų6934.7 Ų34.726%0.26117%0.171SC..Hα-helixtrans-61-45.3-177.3-168.696.4000112.5T222 V223 L254 V258 L284T222-W226 WeakPolarHBondContact O-CB 3.44Å; T222-W226 PolarHBondContact O-N 3.02Å; V223-W226 PolarHBondContact O-N 3.47Å; W226-L254 HydrophobicContact CG-CD1 4.47Å; W226-L254 HydrophobicContact CZ2-CB 4.06Å; W226-L254 WeakPolarHBondContact O-CD1 3.42Å; W226-V258 HydrophobicContact CZ2-CG2 4.46Å; W226-V258 VanDerWaalsContact NE1-CG2 3.27Å; W226-L284 HydrophobicContact CB-CD2 3.7Å; W226-L284 HydrophobicContact CG-CD2 4.34Å
227M98.8Very high98.2Very high89 Ų8930.8 Ų30.844%0.43815%0.152SC..Hα-helixtrans-70.3-34.3-177.3-70.2-174.8-50.300113.2V223 F224 L225 P230V223-M227 HydrophobicContact CG1-CE 3.71Å; V223-M227 HydrophobicContact CG1-CG 4.31Å; V223-M227 HydrophobicContact CG1-SD 3.93Å; V223-M227 WeakPolarHBondContact O-CB 3.36Å; V223-M227 VanDerWaalsContact O-CG 3.29Å; V223-M227 WeakPolarHBondContact O-CG 3.44Å; V223-M227 PolarHBondContact O-N 3.29Å; F224-M227 HydrophobicContact CD1-CE 4.34Å; L225-M227 PolarHBondContact O-N 3.41Å; M227-P230 WeakPolarHBondContact O-CD 3.3Å
228F98.9Very high97.9Very high45 Ų4532.4 Ų32.420%0.19716%0.161CC..Hα-helixtrans-98.5-6.5-174.6-67.2-24.6000114.5D63 V66 M67 F224 L225 P230 S231 F232D63-F228 HydrophobicContact CB-CB 4Å; D63-F228 HydrophobicContact CB-CD1 4.09Å; D63-F228 HydrophobicContact CB-CD2 4.33Å; D63-F228 HydrophobicContact CB-CG 3.91Å; V66-F228 HydrophobicContact CB-CD2 3.88Å; V66-F228 HydrophobicContact CB-CE2 3.76Å; V66-F228 HydrophobicContact CG1-CD2 3.81Å; V66-F228 HydrophobicContact CG1-CE2 3.55Å; V66-F228 HydrophobicContact CG2-CE2 4.23Å; M67-F228 HydrophobicContact CG-CB 3.69Å; M67-F228 HydrophobicContact SD-CB 3.74Å; F224-F228 HydrophobicContact CD1-CD2 4.14Å; F224-F228 AromaticContact CD1-CE2 3.64Å; F224-F228 HydrophobicContact CD1-CE2 3.64Å; F224-F228 HydrophobicContact CD1-CZ 4.36Å; F224-F228 HydrophobicContact CE1-CE2 4.08Å; F224-F228 HydrophobicContact CE1-CZ 4.49Å; F224-F228 WeakPolarHBondContact O-CB 3.39Å; F224-F228 PolarHBondContact O-N 3.02Å; L225-F228 PolarHBondContact O-N 3.02Å; F228-P230 VanDerWaalsContact C-CD 3.41Å; F228-P230 VanDerWaalsContact C-N 3.32Å; F228-S231 WeakPolarHBondContact O-CB 3.21Å; F228-S231 PolarHBondContact O-N 2.95Å; F228-F232 PolarHBondContact O-N 2.75Å; F228-F232 VanDerWaalsContact O-N 3.09Å
229W98.9Very high97.5Very high2 Ų235.4 Ų35.41%0.00818%0.179CC..Hα-helixtrans-54.1-38174.3-135.2-59.2000115M67 H182 L225 S231 F232 N233 T250 L254 L284 G287 V288M67-W229 HydrophobicContact CE-CB 4.44Å; M67-W229 HydrophobicContact CE-CD2 3.98Å; M67-W229 HydrophobicContact CE-CE3 4.11Å; M67-W229 HydrophobicContact CE-CG 4.16Å; H182-W229 AromaticContact CE1-CZ2 3.82Å; H182-W229 AromaticContact NE2-CZ2 3.93Å; L225-W229 HydrophobicContact CB-CE3 4.06Å; L225-W229 HydrophobicContact CB-CZ3 3.87Å; L225-W229 WeakPolarHBondContact O-CB 3.43Å; L225-W229 PolarHBondContact O-N 3.35Å; W229-S231 VanDerWaalsContact C-N 3.25Å; W229-S231 PolarHBondContact O-N 3.27Å; W229-F232 WeakPolarHBondContact O-CB 3.45Å; W229-F232 PolarHBondContact O-N 3.06Å; W229-F232 VanDerWaalsContact O-N 3.11Å; W229-N233 PolarHBondContact O-N 3.25Å; W229-T250 HydrophobicContact CB-CG2 4.09Å; W229-T250 HydrophobicContact CG-CG2 4.36Å; W229-L254 HydrophobicContact CB-CD1 3.59Å; W229-L254 HydrophobicContact CG-CD1 4.25Å; W229-L284 HydrophobicContact CE3-CB 4.35Å; W229-L284 HydrophobicContact CE3-CD2 4.12Å; W229-L284 HydrophobicContact CH2-CB 4.02Å; W229-L284 HydrophobicContact CZ3-CB 3.56Å; W229-L284 HydrophobicContact CZ3-CD1 4.07Å; W229-L284 HydrophobicContact CZ3-CD2 3.85Å; W229-L284 HydrophobicContact CZ3-CG 4.01Å; W229-G287 VanDerWaalsContact NE1-C 3.31Å; W229-G287 PolarHBondContact NE1-O 3.06Å; W229-V288 HydrophobicContact CH2-CG2 3.87Å; W229-V288 HydrophobicContact CZ2-CB 4.48Å; W229-V288 HydrophobicContact CZ2-CG2 3.42Å; W229-V288 VanDerWaalsContact CZ2-CG2 3.42Å
230P98.9Very high97.1Very high15 Ų1535.4 Ų35.410%0.09719%0.19CC..Hα-helixtrans-57-39.6174.9-26.536.1000112.7M227 F228 S234 V247 T250M227-P230 WeakPolarHBondContact O-CD 3.3Å; F228-P230 VanDerWaalsContact C-CD 3.41Å; F228-P230 VanDerWaalsContact C-N 3.32Å; P230-S234 VanDerWaalsContact O-CB 3.28Å; P230-S234 WeakPolarHBondContact O-CB 3.25Å; P230-S234 PolarHBondContact O-N 3.35Å; P230-S234 PolarHBondContact O-OG 3.27Å; P230-V247 HydrophobicContact CB-CB 4.47Å; P230-V247 HydrophobicContact CB-CG1 3.98Å; P230-T250 HydrophobicContact CB-CG2 4.42Å; P230-T250 HydrophobicContact CG-CG2 4.2Å
231S98.8Very high96.9Very high18 Ų1837.7 Ų37.713%0.12621%0.207CC..Hα-helixtrans-66.6-42.6173.2-59.70000111.4D63 F228 W229 N233 S234 A235D63-S231 WeakPolarHBondContact OD2-CB 3.44Å; D63-S231 PolarHBondContact OD2-OG 3.02Å; F228-S231 WeakPolarHBondContact O-CB 3.21Å; F228-S231 PolarHBondContact O-N 2.95Å; W229-S231 VanDerWaalsContact C-N 3.25Å; W229-S231 PolarHBondContact O-N 3.27Å; S231-N233 PolarHBondContact O-N 3.48Å; S231-S234 PolarHBondContact O-N 2.79Å; S231-S234 VanDerWaalsContact O-N 3.16Å; S231-S234 PolarHBondContact O-OG 3.25Å; S231-A235 WeakPolarHBondContact O-CA 3.35Å; S231-A235 VanDerWaalsContact O-CB 3.28Å; S231-A235 WeakPolarHBondContact O-CB 3.44Å; S231-A235 PolarHBondContact O-N 3.4Å
232F98.7Very high96.8Very high2 Ų239.2 Ų39.21%0.00922%0.216CC..Hα-helixtrans-55.3-50.5175.8-171.2-81.9000112.4V64 M67 F127 A130 I181 H182 F228 W229 S234V64-F232 HydrophobicContact CG1-CD2 4.12Å; V64-F232 HydrophobicContact CG1-CE2 4.43Å; V64-F232 HydrophobicContact CG2-CB 4.28Å; V64-F232 HydrophobicContact CG2-CD2 4.18Å; M67-F232 HydrophobicContact CE-CB 3.9Å; M67-F232 HydrophobicContact CE-CD2 3.82Å; M67-F232 HydrophobicContact CE-CG 4Å; M67-F232 HydrophobicContact SD-CB 3.71Å; M67-F232 HydrophobicContact SD-CD2 3.97Å; M67-F232 HydrophobicContact SD-CG 4.23Å; F127-F232 HydrophobicContact CD1-CD2 4.05Å; F127-F232 HydrophobicContact CD1-CE1 4.3Å; F127-F232 AromaticContact CD1-CE2 3.45Å; F127-F232 HydrophobicContact CD1-CE2 3.45Å; F127-F232 VanDerWaalsContact CD1-CE2 3.45Å; F127-F232 AromaticContact CD1-CZ 3.59Å; F127-F232 HydrophobicContact CD1-CZ 3.59Å; F127-F232 HydrophobicContact CE1-CD1 4.12Å; F127-F232 AromaticContact CE1-CD2 3.57Å; F127-F232 HydrophobicContact CE1-CD2 3.57Å; F127-F232 HydrophobicContact CE1-CE1 4.02Å; F127-F232 AromaticContact CE1-CE2 3.45Å; F127-F232 HydrophobicContact CE1-CE2 3.45Å; F127-F232 VanDerWaalsContact CE1-CE2 3.45Å; F127-F232 AromaticContact CE1-CG 3.9Å; F127-F232 HydrophobicContact CE1-CG 3.9Å; F127-F232 AromaticContact CE1-CZ 3.68Å; F127-F232 HydrophobicContact CE1-CZ 3.68Å; F127-F232 WeakPolarHBondContact CZ-O 3.49Å; A130-F232 HydrophobicContact CB-CE2 4.39Å; I181-F232 HydrophobicContact CD1-CE1 4.23Å; I181-F232 HydrophobicContact CD1-CZ 3.76Å; H182-F232 AromaticContact NE2-CE1 3.93Å; F228-F232 PolarHBondContact O-N 2.75Å; F228-F232 VanDerWaalsContact O-N 3.09Å; W229-F232 WeakPolarHBondContact O-CB 3.45Å; W229-F232 PolarHBondContact O-N 3.06Å; W229-F232 VanDerWaalsContact O-N 3.11Å; F232-S234 PolarHBondContact O-N 3.49Å
233N98.8Very high96.7Very high0 Ų040.3 Ų40.30%022%0.221CC..Hα-helixtrans-73.8-12-178.7-76.7-1000113.7G176 W229 S231 T250 G287 A294G176-N233 WeakPolarHBondContact CA-OD1 3.36Å; W229-N233 PolarHBondContact O-N 3.25Å; S231-N233 PolarHBondContact O-N 3.48Å; N233-T250 HydrophobicContact CB-CG2 4.25Å; N233-T250 VanDerWaalsContact CB-OG1 3.24Å; N233-T250 WeakPolarHBondContact CB-OG1 3.02Å; N233-T250 WeakPolarHBondContact ND2-CG2 3.28Å; N233-T250 PolarHBondContact ND2-OG1 3.21Å; N233-G287 PolarHBondContact ND2-O 3.05Å; N233-A294 HydrophobicContact CB-CB 4.12Å
234S98.2Very high96.6Very high0 Ų041.9 Ų41.90%023%0.226CC..Hα-helixtrans-112.6-10.4-177.178.30000114.3M60 P230 S231 F232 I236 A237 Q243 V247M60-S234 WeakPolarHBondContact CE-OG 3.39Å; P230-S234 VanDerWaalsContact O-CB 3.28Å; P230-S234 WeakPolarHBondContact O-CB 3.25Å; P230-S234 PolarHBondContact O-N 3.35Å; P230-S234 PolarHBondContact O-OG 3.27Å; S231-S234 PolarHBondContact O-N 2.79Å; S231-S234 VanDerWaalsContact O-N 3.16Å; S231-S234 PolarHBondContact O-OG 3.25Å; F232-S234 PolarHBondContact O-N 3.49Å; S234-I236 PolarHBondContact O-N 3.14Å; S234-A237 WeakPolarHBondContact O-CB 3.2Å; S234-A237 PolarHBondContact O-N 3.14Å; S234-A237 VanDerWaalsContact O-N 3.11Å; S234-Q243 WeakPolarHBondContact O-CG 3.35Å; S234-Q243 PolarHBondContact O-NE2 3.36Å; S234-Q243 VanDerWaalsContact O-NE2 3.14Å; S234-V247 WeakPolarHBondContact OG-CG2 3.18Å
235A96.2Very high96.6Very high2 Ų240.6 Ų40.62%0.01722%0.224CC..THydrogen-bonded Turntrans-62-30-168.800000113.8M60 V64 I123 F127 S231M60-A235 HydrophobicContact CB-CB 4.26Å; V64-A235 HydrophobicContact CG2-CB 4.41Å; I123-A235 HydrophobicContact CD1-CB 4.4Å; I123-A235 HydrophobicContact CG2-CB 3.84Å; F127-A235 HydrophobicContact CZ-CB 4.14Å; S231-A235 WeakPolarHBondContact O-CA 3.35Å; S231-A235 VanDerWaalsContact O-CB 3.28Å; S231-A235 WeakPolarHBondContact O-CB 3.44Å; S231-A235 PolarHBondContact O-N 3.4Å
236I93.6Very high96.6Very high52 Ų5240.5 Ų40.527%0.26722%0.223SC..THydrogen-bonded Turntrans-112.27.5178.365166.6000113F120 I123 F127 V175 S234F120-I236 HydrophobicContact CD2-CG2 4.3Å; F120-I236 HydrophobicContact CE2-CB 3.96Å; F120-I236 HydrophobicContact CE2-CG2 3.6Å; F120-I236 HydrophobicContact CZ-CB 4.43Å; F120-I236 HydrophobicContact CZ-CG2 4.1Å; I123-I236 HydrophobicContact CG2-CG2 4.23Å; F127-I236 HydrophobicContact CE2-CD1 4.05Å; F127-I236 HydrophobicContact CE2-CG1 4.1Å; F127-I236 HydrophobicContact CE2-CG2 3.72Å; V175-I236 HydrophobicContact CG2-CG1 4.23Å; V175-I236 WeakPolarHBondContact O-CG1 3.5Å; S234-I236 PolarHBondContact O-N 3.14Å
237A94.8Very high96.6Very high9 Ų939.4 Ų39.47%0.07422%0.224CC..SBendtrans-70153.1173.400000110.5V175 S234 T239 Q243 A246V175-A237 HydrophobicContact CG2-CB 3.61Å; S234-A237 WeakPolarHBondContact O-CB 3.2Å; S234-A237 PolarHBondContact O-N 3.14Å; S234-A237 VanDerWaalsContact O-N 3.11Å; A237-T239 PolarHBondContact O-N 2.88Å; A237-Q243 HydrophobicContact CB-CB 4.05Å; A237-Q243 HydrophobicContact CB-CG 4.4Å; A237-A246 HydrophobicContact CB-CB 4.4Å
238E92.1Very high96.6Very high138 Ų13838.6 Ų38.665%0.64522%0.221SC*.PPolyproline II helixtrans-58.5128.5174.3-174177.2175.400111.1T242 Q243E238-T242 HydrophobicContact CB-CG2 4.14Å; E238-T242 WeakPolarHBondContact O-CB 3.37Å; E238-Q243 VanDerWaalsContact O-CB 3.3Å; E238-Q243 WeakPolarHBondContact O-CB 3.21Å; E238-Q243 PolarHBondContact O-N 3.35Å
239T89.7Confident96.6Very high63 Ų6336.7 Ų36.739%0.38721%0.213SC..THydrogen-bonded Turntrans-57.2139.5-175.9-53.30000111.5E52 A237E52-T239 WeakPolarHBondContact OE1-CG2 3.41Å; A237-T239 PolarHBondContact O-N 2.88Å
240G91.8Very high96.6Very high42 Ų4236.6 Ų36.643%0.43321%0.212SC..THydrogen-bonded Turntrans107.5-129.2178.100000112.6L244G240-L244 WeakPolarHBondContact O-CB 3.32Å; G240-L244 PolarHBondContact O-N 3.43Å
241V94.8Very high96.6Very high112 Ų11242.3 Ų42.368%0.67923%0.233SC*.Hα-helixtrans-68.9-36.2-172.1178.70000111.9L244 T245V241-L244 PolarHBondContact O-N 3.17Å; V241-T245 WeakPolarHBondContact O-CB 3.46Å; V241-T245 PolarHBondContact O-N 3.34Å; V241-T245 PolarHBondContact O-OG1 3.37Å
242T95.8Very high96.6Very high32 Ų3242.8 Ų42.820%0.19624%0.235CC..Hα-helixtrans-64.4-49.5178.7-55.50000111.1E238 L244 T245 A246 D295E238-T242 HydrophobicContact CB-CG2 4.14Å; E238-T242 WeakPolarHBondContact O-CB 3.37Å; T242-L244 PolarHBondContact O-N 3.42Å; T242-T245 WeakPolarHBondContact O-CB 3.32Å; T242-T245 PolarHBondContact O-N 3.38Å; T242-T245 VanDerWaalsContact O-N 3.15Å; T242-A246 PolarHBondContact O-N 2.98Å; T242-D295 HydrophobicContact CG2-CB 3.69Å
243Q96.9Very high96.6Very high28 Ų2842.7 Ų42.713%0.13124%0.235CC..Hα-helixtrans-59-44.3172.1-175.717471.200112.9M60 S234 A237 E238 T245 A246 V247M60-Q243 HydrophobicContact CE-CG 3.98Å; M60-Q243 PolarHBondContact SD-NE2 3.4Å; M60-Q243 VanDerWaalsContact SD-NE2 3.42Å; S234-Q243 WeakPolarHBondContact O-CG 3.35Å; S234-Q243 PolarHBondContact O-NE2 3.36Å; S234-Q243 VanDerWaalsContact O-NE2 3.14Å; A237-Q243 HydrophobicContact CB-CB 4.05Å; A237-Q243 HydrophobicContact CB-CG 4.4Å; E238-Q243 VanDerWaalsContact O-CB 3.3Å; E238-Q243 WeakPolarHBondContact O-CB 3.21Å; E238-Q243 PolarHBondContact O-N 3.35Å; Q243-T245 VanDerWaalsContact C-N 3.28Å; Q243-T245 PolarHBondContact O-N 3.15Å; Q243-A246 WeakPolarHBondContact O-CB 3.09Å; Q243-A246 PolarHBondContact O-N 3.18Å; Q243-V247 WeakPolarHBondContact O-CG2 3.27Å; Q243-V247 PolarHBondContact O-N 3.27Å; Q243-V247 VanDerWaalsContact O-N 3.07Å
244L97.6Very high96.6Very high96 Ų9642.7 Ų42.750%0.50324%0.235SC..Hα-helixtrans-62.1-37.4175.5178.961000112.1G240 V241 T242 V247 I248G240-L244 WeakPolarHBondContact O-CB 3.32Å; G240-L244 PolarHBondContact O-N 3.43Å; V241-L244 PolarHBondContact O-N 3.17Å; T242-L244 PolarHBondContact O-N 3.42Å; L244-V247 PolarHBondContact O-N 3.1Å; L244-I248 HydrophobicContact CD1-CD1 3.93Å; L244-I248 HydrophobicContact CD1-CG1 4.17Å; L244-I248 HydrophobicContact CD2-CD1 4.43Å; L244-I248 HydrophobicContact CG-CD1 3.82Å; L244-I248 HydrophobicContact CG-CG1 4.45Å; L244-I248 WeakPolarHBondContact O-CG1 3.23Å; L244-I248 PolarHBondContact O-N 3.02Å
245T98.3Very high96.7Very high36 Ų3644.3 Ų44.322%0.22125%0.248CC..Hα-helixtrans-62.5-43.9176.2-60.90000110.6V241 T242 Q243 V247 I248 N249 A294V241-T245 WeakPolarHBondContact O-CB 3.46Å; V241-T245 PolarHBondContact O-N 3.34Å; V241-T245 PolarHBondContact O-OG1 3.37Å; T242-T245 WeakPolarHBondContact O-CB 3.32Å; T242-T245 PolarHBondContact O-N 3.38Å; T242-T245 VanDerWaalsContact O-N 3.15Å; Q243-T245 VanDerWaalsContact C-N 3.28Å; Q243-T245 PolarHBondContact O-N 3.15Å; T245-V247 PolarHBondContact O-N 2.97Å; T245-I248 PolarHBondContact O-N 2.54Å; T245-N249 WeakPolarHBondContact CG2-ND2 3.19Å; T245-N249 WeakPolarHBondContact O-CB 3.14Å; T245-N249 PolarHBondContact O-N 2.99Å; T245-A294 CarbonylContact C-O 3.57Å
246A98.7Very high96.8Very high0 Ų044.9 Ų44.90%025%0.252CS..Hα-helixtrans-59-43.6174.100000113A237 T242 Q243 T250 A294 D295A237-A246 HydrophobicContact CB-CB 4.4Å; T242-A246 PolarHBondContact O-N 2.98Å; Q243-A246 WeakPolarHBondContact O-CB 3.09Å; Q243-A246 PolarHBondContact O-N 3.18Å; A246-T250 VanDerWaalsContact O-CB 3.24Å; A246-T250 WeakPolarHBondContact O-CB 3.34Å; A246-T250 PolarHBondContact O-N 2.87Å; A246-T250 PolarHBondContact O-OG1 3.22Å; A246-A294 WeakPolarHBondContact CA-O 3.43Å; A246-A294 HydrophobicContact CB-CB 4.07Å; A246-A294 PolarHBondContact N-O 3.31Å; A246-D295 HydrophobicContact CB-CB 4.2Å
247V98.8Very high97.1Very high46 Ų4642.4 Ų42.428%0.27924%0.24SC..Hα-helixtrans-60.5-51.2175.21730000110.9P230 S234 Q243 L244 T245 T250 Y251P230-V247 HydrophobicContact CB-CB 4.47Å; P230-V247 HydrophobicContact CB-CG1 3.98Å; S234-V247 WeakPolarHBondContact OG-CG2 3.18Å; Q243-V247 WeakPolarHBondContact O-CG2 3.27Å; Q243-V247 PolarHBondContact O-N 3.27Å; Q243-V247 VanDerWaalsContact O-N 3.07Å; L244-V247 PolarHBondContact O-N 3.1Å; T245-V247 PolarHBondContact O-N 2.97Å; V247-T250 PolarHBondContact O-N 3.27Å; V247-Y251 WeakPolarHBondContact O-CB 3.49Å; V247-Y251 PolarHBondContact O-N 2.93Å
248I98.8Very high97.3Very high72 Ų7243.5 Ų43.537%0.36925%0.246SC..Hα-helixtrans-65.7-48.4-175.5-68.9169.8000111.3L244 T245 T250 Y251 V252L244-I248 HydrophobicContact CD1-CD1 3.93Å; L244-I248 HydrophobicContact CD1-CG1 4.17Å; L244-I248 HydrophobicContact CD2-CD1 4.43Å; L244-I248 HydrophobicContact CG-CD1 3.82Å; L244-I248 HydrophobicContact CG-CG1 4.45Å; L244-I248 WeakPolarHBondContact O-CG1 3.23Å; L244-I248 PolarHBondContact O-N 3.02Å; T245-I248 PolarHBondContact O-N 2.54Å; I248-T250 VanDerWaalsContact C-N 3.29Å; I248-T250 PolarHBondContact O-N 3.1Å; I248-Y251 PolarHBondContact O-N 2.94Å; I248-V252 WeakPolarHBondContact O-CG2 3.47Å; I248-V252 PolarHBondContact O-N 2.87Å
249N98.9Very high97.6Very high5 Ų542.8 Ų42.83%0.02725%0.245CC..Hα-helixtrans-61.4-41179.8-77.6-21.5000110.9T245 S253 V290 A294 M296 A303T245-N249 WeakPolarHBondContact CG2-ND2 3.19Å; T245-N249 WeakPolarHBondContact O-CB 3.14Å; T245-N249 PolarHBondContact O-N 2.99Å; N249-S253 WeakPolarHBondContact O-CB 3.44Å; N249-S253 PolarHBondContact O-N 3.34Å; N249-V290 HydrophobicContact CB-CG2 4.26Å; N249-A294 WeakPolarHBondContact CB-O 3.37Å; N249-A294 PolarHBondContact ND2-O 3.48Å; N249-M296 PolarHBondContact ND2-O 2.89Å; N249-A303 HydrophobicContact CB-CB 3.85Å; N249-A303 WeakPolarHBondContact O-CB 3.34Å
250T98.9Very high98Very high0 Ų040 Ų400%023%0.229CC..Hα-helixtrans-64.1-46.1176.7-57.10000111.9W229 P230 N233 A246 V247 I248 V252 S253 L254 V290W229-T250 HydrophobicContact CB-CG2 4.09Å; W229-T250 HydrophobicContact CG-CG2 4.36Å; P230-T250 HydrophobicContact CB-CG2 4.42Å; P230-T250 HydrophobicContact CG-CG2 4.2Å; N233-T250 HydrophobicContact CB-CG2 4.25Å; N233-T250 VanDerWaalsContact CB-OG1 3.24Å; N233-T250 WeakPolarHBondContact CB-OG1 3.02Å; N233-T250 WeakPolarHBondContact ND2-CG2 3.28Å; N233-T250 PolarHBondContact ND2-OG1 3.21Å; A246-T250 VanDerWaalsContact O-CB 3.24Å; A246-T250 WeakPolarHBondContact O-CB 3.34Å; A246-T250 PolarHBondContact O-N 2.87Å; A246-T250 PolarHBondContact O-OG1 3.22Å; V247-T250 PolarHBondContact O-N 3.27Å; I248-T250 VanDerWaalsContact C-N 3.29Å; I248-T250 PolarHBondContact O-N 3.1Å; T250-V252 PolarHBondContact O-N 2.96Å; T250-S253 PolarHBondContact O-N 3.17Å; T250-L254 HydrophobicContact CG2-CD1 4.13Å; T250-L254 WeakPolarHBondContact O-CB 3.25Å; T250-L254 PolarHBondContact O-N 2.93Å; T250-V290 HydrophobicContact CG2-CG1 4.43Å
251Y98.9Very high98.3Very high135 Ų13538 Ų3853%0.52921%0.208SC..Hα-helixtrans-57.4-50.8178.2175.4-93.3000112.5V247 I248 L254 A255V247-Y251 WeakPolarHBondContact O-CB 3.49Å; V247-Y251 PolarHBondContact O-N 2.93Å; I248-Y251 PolarHBondContact O-N 2.94Å; Y251-L254 PolarHBondContact O-N 3.47Å; Y251-A255 PolarHBondContact O-N 3.3Å
252V98.9Very high98.5Very high28 Ų2837.1 Ų37.117%0.1719%0.193CC..Hα-helixtrans-73.6-30.5-177.2-57.80000112.7I248 T250 A256 A303 M304I248-V252 WeakPolarHBondContact O-CG2 3.47Å; I248-V252 PolarHBondContact O-N 2.87Å; T250-V252 PolarHBondContact O-N 2.96Å; V252-A256 PolarHBondContact O-N 2.98Å; V252-A256 VanDerWaalsContact O-N 3.08Å; V252-A303 HydrophobicContact CG2-CB 3.65Å; V252-M304 HydrophobicContact CB-CG 3.89Å; V252-M304 HydrophobicContact CG2-CG 4Å
253S98.9Very high98.7Very high0 Ų038.4 Ų38.40%021%0.207CC..Hα-helixtrans-63.1-49.5172.4179.50000111N249 T250 A255 A256 C257 G286 A303 G307N249-S253 WeakPolarHBondContact O-CB 3.44Å; N249-S253 PolarHBondContact O-N 3.34Å; T250-S253 PolarHBondContact O-N 3.17Å; S253-A255 VanDerWaalsContact C-N 3.34Å; S253-A255 PolarHBondContact O-N 2.81Å; S253-A256 PolarHBondContact O-N 2.62Å; S253-C257 VanDerWaalsContact O-CB 3.31Å; S253-C257 WeakPolarHBondContact O-CB 3.43Å; S253-C257 PolarHBondContact O-N 3.31Å; S253-G286 VanDerWaalsContact OG-C 3.31Å; S253-G286 WeakPolarHBondContact OG-CA 3.05Å; S253-G286 PolarHBondContact OG-O 3.41Å; S253-A303 WeakPolarHBondContact CA-O 3.43Å; S253-A303 WeakPolarHBondContact CB-O 3.45Å; S253-A303 PolarHBondContact OG-O 2.99Å; S253-G307 WeakPolarHBondContact O-CA 3.33Å; S253-G307 VanDerWaalsContact OG-CA 3.25Å; S253-G307 WeakPolarHBondContact OG-CA 3.34Å; S253-G307 PolarHBondContact OG-N 3.25Å
254L98.9Very high98.8Very high1 Ų138.4 Ų38.41%0.00521%0.208CC..Hα-helixtrans-60.2-42.5177.2-83.7175.5000112.6W226 W229 T250 Y251 C257 V258 G287W226-L254 HydrophobicContact CG-CD1 4.47Å; W226-L254 HydrophobicContact CZ2-CB 4.06Å; W226-L254 WeakPolarHBondContact O-CD1 3.42Å; W229-L254 HydrophobicContact CB-CD1 3.59Å; W229-L254 HydrophobicContact CG-CD1 4.25Å; T250-L254 HydrophobicContact CG2-CD1 4.13Å; T250-L254 WeakPolarHBondContact O-CB 3.25Å; T250-L254 PolarHBondContact O-N 2.93Å; Y251-L254 PolarHBondContact O-N 3.47Å; L254-C257 WeakPolarHBondContact O-CB 3.38Å; L254-C257 PolarHBondContact O-N 3.25Å; L254-V258 WeakPolarHBondContact O-CG2 3.48Å; L254-V258 PolarHBondContact O-N 3.39Å; L254-G287 VanDerWaalsContact CD2-N 3.32Å
255A98.9Very high98.8Very high33 Ų3333.8 Ų33.827%0.27318%0.184SC..Hα-helixtrans-60.3-47.6176.100000111.8Y251 S253 C257 V258 L259Y251-A255 PolarHBondContact O-N 3.3Å; S253-A255 VanDerWaalsContact C-N 3.34Å; S253-A255 PolarHBondContact O-N 2.81Å; A255-C257 VanDerWaalsContact C-N 3.33Å; A255-C257 PolarHBondContact O-N 3.27Å; A255-V258 PolarHBondContact O-N 2.91Å; A255-L259 WeakPolarHBondContact O-CD2 3.11Å; A255-L259 PolarHBondContact O-N 3.24Å
256A98.9Very high98.8Very high14 Ų1434.1 Ų34.112%0.11619%0.188CC..Hα-helixtrans-63.6-39176.600000112.4V252 S253 V258 L259 S260 M304V252-A256 PolarHBondContact O-N 2.98Å; V252-A256 VanDerWaalsContact O-N 3.08Å; S253-A256 PolarHBondContact O-N 2.62Å; A256-V258 PolarHBondContact O-N 3.1Å; A256-L259 PolarHBondContact O-N 3.1Å; A256-S260 PolarHBondContact O-N 2.93Å; A256-S260 VanDerWaalsContact O-N 3.14Å; A256-S260 PolarHBondContact O-OG 3.4Å; A256-M304 HydrophobicContact CB-CB 4.11Å; A256-M304 HydrophobicContact CB-CG 4.45Å; A256-M304 VanDerWaalsContact CB-O 3.28Å; A256-M304 WeakPolarHBondContact CB-O 3.34Å
257C98.9Very high98.8Very high0 Ų040.5 Ų40.50%022%0.221CC..Hα-helixtrans-59.1-45.9177.3-169.60000111.8S253 L254 A255 L259 S260 A261 A282 G286 G307 G311S253-C257 VanDerWaalsContact O-CB 3.31Å; S253-C257 WeakPolarHBondContact O-CB 3.43Å; S253-C257 PolarHBondContact O-N 3.31Å; L254-C257 WeakPolarHBondContact O-CB 3.38Å; L254-C257 PolarHBondContact O-N 3.25Å; A255-C257 VanDerWaalsContact C-N 3.33Å; A255-C257 PolarHBondContact O-N 3.27Å; C257-L259 PolarHBondContact O-N 3.26Å; C257-S260 PolarHBondContact O-N 3.45Å; C257-S260 PolarHBondContact O-OG 3.04Å; C257-A261 WeakPolarHBondContact O-CB 3.22Å; C257-A261 PolarHBondContact O-N 2.86Å; C257-A282 PolarHBondContact SG-O 2.9Å; C257-G286 PolarHBondContact SG-N 3.38Å; C257-G307 VanDerWaalsContact CA-O 3.23Å; C257-G307 WeakPolarHBondContact CA-O 3.43Å; C257-G307 WeakPolarHBondContact CB-O 3.48Å; C257-G311 WeakPolarHBondContact SG-CA 3.34Å; C257-G311 PolarHBondContact SG-N 3.04Å
258V98.9Very high98.8Very high33 Ų3340.1 Ų40.120%0.222%0.219CC..Hα-helixtrans-55.5-51.8177.3170.50000111.3W226 L254 A255 A256 S260 A261 Y262 T283W226-V258 HydrophobicContact CZ2-CG2 4.46Å; W226-V258 VanDerWaalsContact NE1-CG2 3.27Å; L254-V258 WeakPolarHBondContact O-CG2 3.48Å; L254-V258 PolarHBondContact O-N 3.39Å; A255-V258 PolarHBondContact O-N 2.91Å; A256-V258 PolarHBondContact O-N 3.1Å; V258-S260 VanDerWaalsContact C-N 3.3Å; V258-S260 PolarHBondContact O-N 3.11Å; V258-A261 PolarHBondContact O-N 3.16Å; V258-Y262 HydrophobicContact CG1-CD2 3.9Å; V258-Y262 HydrophobicContact CG1-CE2 3.93Å; V258-Y262 VanDerWaalsContact O-CD2 3.29Å; V258-Y262 WeakPolarHBondContact O-CD2 3.48Å; V258-Y262 PolarHBondContact O-N 3.41Å; V258-T283 HydrophobicContact CG2-CG2 4.19Å
259L98.8Very high98.7Very high122 Ų12238.4 Ų38.464%0.63921%0.209SC*.Hα-helixtrans-61.4-41.6-178.1-82.2-50.4000111.7A255 A256 C257 A263A255-L259 WeakPolarHBondContact O-CD2 3.11Å; A255-L259 PolarHBondContact O-N 3.24Å; A256-L259 PolarHBondContact O-N 3.1Å; C257-L259 PolarHBondContact O-N 3.26Å; L259-A263 VanDerWaalsContact O-CB 3.31Å; L259-A263 WeakPolarHBondContact O-CB 3.24Å; L259-A263 PolarHBondContact O-N 3.33Å
260S98.8Very high98.5Very high6 Ų645.6 Ų45.64%0.04224%0.242CC..Hα-helixtrans-66.4-42.7177.971.40000112.7A256 C257 V258 Y262 A263 I264 L308 G311A256-S260 PolarHBondContact O-N 2.93Å; A256-S260 VanDerWaalsContact O-N 3.14Å; A256-S260 PolarHBondContact O-OG 3.4Å; C257-S260 PolarHBondContact O-N 3.45Å; C257-S260 PolarHBondContact O-OG 3.04Å; V258-S260 VanDerWaalsContact C-N 3.3Å; V258-S260 PolarHBondContact O-N 3.11Å; S260-Y262 PolarHBondContact O-N 3.08Å; S260-A263 PolarHBondContact O-N 3.3Å; S260-I264 WeakPolarHBondContact O-CB 3.11Å; S260-I264 VanDerWaalsContact O-CG1 3.32Å; S260-I264 WeakPolarHBondContact O-CG1 3.33Å; S260-I264 PolarHBondContact O-N 2.91Å; S260-L308 WeakPolarHBondContact CB-O 3.42Å; S260-L308 PolarHBondContact OG-O 3.23Å; S260-G311 VanDerWaalsContact OG-CA 3.27Å; S260-G311 WeakPolarHBondContact OG-CA 3.21Å
261A98.8Very high98.3Very high0 Ų055.1 Ų55.10%028%0.283CS..Hα-helixtrans-63.2-43.1178.700000111.5C257 V258 S265 A282 T283 T315C257-A261 WeakPolarHBondContact O-CB 3.22Å; C257-A261 PolarHBondContact O-N 2.86Å; V258-A261 PolarHBondContact O-N 3.16Å; A261-S265 WeakPolarHBondContact O-CB 3.41Å; A261-S265 PolarHBondContact O-N 3.24Å; A261-A282 HydrophobicContact CB-CB 4.04Å; A261-T283 HydrophobicContact CB-CG2 4.04Å; A261-T315 WeakPolarHBondContact CA-OG1 3.26Å
262Y98.8Very high98.2Very high92 Ų9250.5 Ų50.536%0.36128%0.277SS..Hα-helixtrans-64.1-44.7174.9-88.8-105.3000112.2V258 S260 S265 S266 L274 I279 T283V258-Y262 HydrophobicContact CG1-CD2 3.9Å; V258-Y262 HydrophobicContact CG1-CE2 3.93Å; V258-Y262 VanDerWaalsContact O-CD2 3.29Å; V258-Y262 WeakPolarHBondContact O-CD2 3.48Å; V258-Y262 PolarHBondContact O-N 3.41Å; S260-Y262 PolarHBondContact O-N 3.08Å; Y262-S265 PolarHBondContact O-N 2.92Å; Y262-S266 WeakPolarHBondContact O-CB 3.39Å; Y262-S266 PolarHBondContact O-N 3.26Å; Y262-L274 HydrophobicContact CD1-CD1 3.59Å; Y262-L274 HydrophobicContact CD1-CD2 4.07Å; Y262-L274 HydrophobicContact CD1-CG 4.49Å; Y262-L274 HydrophobicContact CE1-CD1 3.64Å; Y262-L274 WeakPolarHBondContact O-CD2 3.39Å; Y262-I279 HydrophobicContact CD1-CD1 3.95Å; Y262-I279 HydrophobicContact CD2-CD1 3.58Å; Y262-I279 HydrophobicContact CE1-CD1 3.91Å; Y262-I279 HydrophobicContact CE1-CG1 4.26Å; Y262-I279 HydrophobicContact CE2-CD1 3.56Å; Y262-I279 HydrophobicContact CE2-CG1 4.18Å; Y262-I279 HydrophobicContact CE2-CG2 3.81Å; Y262-I279 HydrophobicContact CG-CD1 3.8Å; Y262-I279 WeakPolarHBondContact OH-CG2 3.47Å; Y262-T283 HydrophobicContact CD2-CG2 4.25Å; Y262-T283 HydrophobicContact CE2-CG2 4.02Å
263A98.8Very high98.1Very high59 Ų5956 Ų5649%0.48830%0.298SS..Hα-helixtrans-62.8-47.3179.500000111.7L259 S260 L267L259-A263 VanDerWaalsContact O-CB 3.31Å; L259-A263 WeakPolarHBondContact O-CB 3.24Å; L259-A263 PolarHBondContact O-N 3.33Å; S260-A263 PolarHBondContact O-N 3.3Å; A263-L267 WeakPolarHBondContact O-CB 3.13Å; A263-L267 PolarHBondContact O-N 2.6Å
264I98.8Very high98.1Very high28 Ų2860.1 Ų60.114%0.14432%0.32CS..Hα-helixtrans-69.7-38.2178.7-61.2-53.6000111.1S260 S266 L267 V268 I312 T315 L316S260-I264 WeakPolarHBondContact O-CB 3.11Å; S260-I264 VanDerWaalsContact O-CG1 3.32Å; S260-I264 WeakPolarHBondContact O-CG1 3.33Å; S260-I264 PolarHBondContact O-N 2.91Å; I264-S266 PolarHBondContact O-N 3.06Å; I264-L267 HydrophobicContact CD1-CD2 4.19Å; I264-L267 WeakPolarHBondContact O-CB 3.18Å; I264-L267 PolarHBondContact O-N 3.35Å; I264-L267 VanDerWaalsContact O-N 3.13Å; I264-V268 HydrophobicContact CG2-CG1 4.06Å; I264-V268 WeakPolarHBondContact O-CG1 3.23Å; I264-V268 WeakPolarHBondContact O-CG2 3.37Å; I264-V268 PolarHBondContact O-N 3.19Å; I264-I312 HydrophobicContact CD1-CG1 4.26Å; I264-I312 HydrophobicContact CG1-CB 4.28Å; I264-I312 HydrophobicContact CG1-CG1 3.81Å; I264-I312 HydrophobicContact CG1-CG2 4.31Å; I264-T315 HydrophobicContact CB-CG2 4.01Å; I264-T315 HydrophobicContact CG2-CG2 3.65Å; I264-L316 HydrophobicContact CG2-CD2 3.88Å; I264-L316 HydrophobicContact CG2-CG 4.04Å
265S98.7Very high98.1Very high0 Ų062.7 Ų62.70%033%0.334CS..Hα-helixtrans-57.2-50.4175.6-176.40000110.6A261 Y262 L267 V268 E269 D275 H278A261-S265 WeakPolarHBondContact O-CB 3.41Å; A261-S265 PolarHBondContact O-N 3.24Å; Y262-S265 PolarHBondContact O-N 2.92Å; S265-L267 VanDerWaalsContact C-N 3.32Å; S265-L267 PolarHBondContact O-N 3.29Å; S265-V268 PolarHBondContact O-N 2.77Å; S265-E269 VanDerWaalsContact O-CB 3.31Å; S265-E269 WeakPolarHBondContact O-CB 3.33Å; S265-E269 WeakPolarHBondContact O-CG 3.26Å; S265-E269 PolarHBondContact O-N 3Å; S265-D275 PolarHBondContact OG-N 3.24Å; S265-H278 WeakPolarHBondContact CB-ND1 3.32Å; S265-H278 PolarHBondContact OG-ND1 3.12Å
266S98.6Very high98.1Very high43 Ų4364.2 Ų64.230%0.30134%0.336SS..Hα-helixtrans-60.4-39.9174.9-172.90000112.6Y262 I264 G272 K273Y262-S266 WeakPolarHBondContact O-CB 3.39Å; Y262-S266 PolarHBondContact O-N 3.26Å; I264-S266 PolarHBondContact O-N 3.06Å; S266-G272 VanDerWaalsContact O-CA 3.31Å; S266-G272 WeakPolarHBondContact O-CA 3.48Å; S266-G272 WeakPolarHBondContact OG-CA 3.47Å; S266-G272 PolarHBondContact OG-O 3.23Å; S266-K273 WeakPolarHBondContact CA-O 3.46Å
267L98.4Very high98Very high134 Ų13465.6 Ų65.670%0.70234%0.343SS*.Hα-helixtrans-65.7-39.5-179.3-177.864.5000113.1A263 I264 S265A263-L267 WeakPolarHBondContact O-CB 3.13Å; A263-L267 PolarHBondContact O-N 2.6Å; I264-L267 HydrophobicContact CD1-CD2 4.19Å; I264-L267 WeakPolarHBondContact O-CB 3.18Å; I264-L267 PolarHBondContact O-N 3.35Å; I264-L267 VanDerWaalsContact O-N 3.13Å; S265-L267 VanDerWaalsContact C-N 3.32Å; S265-L267 PolarHBondContact O-N 3.29Å
268V97.8Very high98Very high38 Ų3865.8 Ų65.823%0.2334%0.344CS..Hα-helixtrans-93-15.1-174-55.70000113.7I264 S265 L316 K319I264-V268 HydrophobicContact CG2-CG1 4.06Å; I264-V268 WeakPolarHBondContact O-CG1 3.23Å; I264-V268 WeakPolarHBondContact O-CG2 3.37Å; I264-V268 PolarHBondContact O-N 3.19Å; S265-V268 PolarHBondContact O-N 2.77Å; V268-L316 HydrophobicContact CG1-CD2 3.95Å; V268-K319 HydrophobicContact CB-CG 4.12Å; V268-K319 HydrophobicContact CG2-CB 4.14Å; V268-K319 HydrophobicContact CG2-CD 4.36Å; V268-K319 HydrophobicContact CG2-CG 3.87Å
269E97.3Very high98Very high35 Ų3564.5 Ų64.516%0.16434%0.336CS..SBendtrans-92.1151.6176.9-72.8-49.913400113.8S265 K271 G272 K273 D275 H278 K319S265-E269 VanDerWaalsContact O-CB 3.31Å; S265-E269 WeakPolarHBondContact O-CB 3.33Å; S265-E269 WeakPolarHBondContact O-CG 3.26Å; S265-E269 PolarHBondContact O-N 3Å; E269-K271 PolarHBondContact O-N 2.82Å; E269-G272 PolarHBondContact O-N 3.36Å; E269-K273 VanDerWaalsContact CB-O 3.28Å; E269-K273 WeakPolarHBondContact CB-O 3.3Å; E269-D275 HydrophobicContact CG-CB 4.04Å; E269-H278 IonicContact OE1-CE1 2.76Å; E269-K319 WeakPolarHBondContact OE1-CD 3.39Å; E269-K319 WeakPolarHBondContact OE1-CE 3.39Å; E269-K319 IonicContact OE1-NZ 2.7Å; E269-K319 PolarHBondContact OE1-NZ 3.11Å; E269-K319 IonicContact OE2-NZ 3.25Å; E269-K319 PolarHBondContact OE2-NZ 3.34Å
270H93.9Very high98Very high156 Ų15658.7 Ų58.772%0.72231%0.306SS*.G310 helixtrans-63.1132.8-177.2-71.7-68.1000112G272 K273H270-G272 PolarHBondContact O-N 2.95Å; H270-K273 PolarHBondContact O-N 3.14Å
271K95.9Very high98Very high200 Ų20058.9 Ų58.987%0.8731%0.306SS*.G310 helixtrans62.922.8178.8-51.8-179.5177.3-178.50114.3E269 K273E269-K271 PolarHBondContact O-N 2.82Å; K271-K273 VanDerWaalsContact C-N 3.25Å; K271-K273 PolarHBondContact O-N 2.87Å
272G96Very high98Very high38 Ų3858.9 Ų58.939%0.39231%0.306SS..G310 helixtrans74.914.1178.600000114.1S266 E269 H270S266-G272 VanDerWaalsContact O-CA 3.31Å; S266-G272 WeakPolarHBondContact O-CA 3.48Å; S266-G272 WeakPolarHBondContact OG-CA 3.47Å; S266-G272 PolarHBondContact OG-O 3.23Å; E269-G272 PolarHBondContact O-N 3.36Å; H270-G272 PolarHBondContact O-N 2.95Å
273K98Very high98Very high143 Ų14354.8 Ų54.862%0.62229%0.291SS*.PPolyproline II helixtrans-71.6165179-68.7-171.1179.7-167.80111.4S266 E269 H270 K271S266-K273 WeakPolarHBondContact CA-O 3.46Å; E269-K273 VanDerWaalsContact CB-O 3.28Å; E269-K273 WeakPolarHBondContact CB-O 3.3Å; H270-K273 PolarHBondContact O-N 3.14Å; K271-K273 VanDerWaalsContact C-N 3.25Å; K271-K273 PolarHBondContact O-N 2.87Å
274L98.4Very high98Very high88 Ų8852 Ų5246%0.46127%0.268SS..PPolyproline II helixtrans-103.7141.1174.8-59.4172.7000110Y262Y262-L274 HydrophobicContact CD1-CD1 3.59Å; Y262-L274 HydrophobicContact CD1-CD2 4.07Å; Y262-L274 HydrophobicContact CD1-CG 4.49Å; Y262-L274 HydrophobicContact CE1-CD1 3.64Å; Y262-L274 WeakPolarHBondContact O-CD2 3.39Å
275D98.4Very high98Very high54 Ų5450.7 Ų50.729%0.28926%0.261SS..PPolyproline II helixtrans-97.6130169.9-167.3-50.4000110.5S265 E269 V277 H278 I279S265-D275 PolarHBondContact OG-N 3.24Å; E269-D275 HydrophobicContact CG-CB 4.04Å; D275-V277 VanDerWaalsContact C-N 3.31Å; D275-V277 PolarHBondContact O-N 3.01Å; D275-V277 WeakPolarHBondContact OD1-CB 3.3Å; D275-V277 PolarHBondContact OD1-N 3.29Å; D275-H278 HydrophobicContact CB-CB 4.48Å; D275-H278 WeakPolarHBondContact O-CB 3.42Å; D275-H278 PolarHBondContact O-N 3.38Å; D275-I279 WeakPolarHBondContact O-CG1 3.38Å; D275-I279 PolarHBondContact O-N 3.02Å
276M98.4Very high98Very high65 Ų6550.7 Ų50.732%0.3226%0.261SS..Hα-helixtrans-66.2-29.5-179.1-77.9-57.4-61.600113.3D215 M219 H278 I279 Q280D215-M276 HydrophobicContact CB-CB 4.4Å; D215-M276 HydrophobicContact CB-CE 4.47Å; D215-M276 HydrophobicContact CB-CG 4.4Å; M219-M276 HydrophobicContact CG-CE 3.29Å; M219-M276 HydrophobicContact SD-CE 3.59Å; M219-M276 VanDerWaalsContact SD-CE 3.59Å; M276-H278 VanDerWaalsContact C-N 3.3Å; M276-H278 PolarHBondContact O-N 2.91Å; M276-I279 PolarHBondContact O-N 3.45Å; M276-Q280 HydrophobicContact CE-CG 4.12Å; M276-Q280 VanDerWaalsContact O-CB 3.32Å; M276-Q280 WeakPolarHBondContact O-CB 3.08Å; M276-Q280 VanDerWaalsContact O-CD 3.3Å; M276-Q280 WeakPolarHBondContact O-CG 3.47Å; M276-Q280 PolarHBondContact O-N 3.37Å; M276-Q280 PolarHBondContact O-OE1 2.89Å
277V97.9Very high98Very high43 Ų4348.6 Ų48.626%0.26125%0.246SC..Hα-helixtrans-63.1-41.4175.4177.70000110.2D275 N281 F318D275-V277 VanDerWaalsContact C-N 3.31Å; D275-V277 PolarHBondContact O-N 3.01Å; D275-V277 WeakPolarHBondContact OD1-CB 3.3Å; D275-V277 PolarHBondContact OD1-N 3.29Å; V277-N281 WeakPolarHBondContact O-CB 3.38Å; V277-N281 PolarHBondContact O-N 3.41Å; V277-N281 VanDerWaalsContact O-N 3.17Å; V277-N281 PolarHBondContact O-ND2 3Å; V277-F318 HydrophobicContact CG1-CD1 3.62Å; V277-F318 HydrophobicContact CG1-CE1 3.76Å; V277-F318 HydrophobicContact CG1-CG 4.3Å
278H98.7Very high98.1Very high5 Ų542.2 Ų42.22%0.02321%0.213CC..Hα-helixtrans-63-44174.5-58.5160.8000111.1S265 E269 D275 M276 A282 T315S265-H278 WeakPolarHBondContact CB-ND1 3.32Å; S265-H278 PolarHBondContact OG-ND1 3.12Å; E269-H278 IonicContact OE1-CE1 2.76Å; D275-H278 HydrophobicContact CB-CB 4.48Å; D275-H278 WeakPolarHBondContact O-CB 3.42Å; D275-H278 PolarHBondContact O-N 3.38Å; M276-H278 VanDerWaalsContact C-N 3.3Å; M276-H278 PolarHBondContact O-N 2.91Å; H278-A282 WeakPolarHBondContact O-CA 3.22Å; H278-A282 WeakPolarHBondContact O-CB 3.35Å; H278-A282 PolarHBondContact O-N 3.48Å; H278-T315 HydrophobicContact CB-CG2 4.15Å
279I98.7Very high98.1Very high5 Ų540.4 Ų40.43%0.02620%0.202CC..Hα-helixtrans-70.5-41.7-176.2-59.6-36.2000111.9M219 Y262 D275 M276 N281 T283M219-I279 HydrophobicContact CE-CG2 4.28Å; M219-I279 HydrophobicContact SD-CG2 4.11Å; Y262-I279 HydrophobicContact CD1-CD1 3.95Å; Y262-I279 HydrophobicContact CD2-CD1 3.58Å; Y262-I279 HydrophobicContact CE1-CD1 3.91Å; Y262-I279 HydrophobicContact CE1-CG1 4.26Å; Y262-I279 HydrophobicContact CE2-CD1 3.56Å; Y262-I279 HydrophobicContact CE2-CG1 4.18Å; Y262-I279 HydrophobicContact CE2-CG2 3.81Å; Y262-I279 HydrophobicContact CG-CD1 3.8Å; Y262-I279 WeakPolarHBondContact OH-CG2 3.47Å; D275-I279 WeakPolarHBondContact O-CG1 3.38Å; D275-I279 PolarHBondContact O-N 3.02Å; M276-I279 PolarHBondContact O-N 3.45Å; I279-N281 VanDerWaalsContact C-N 3.34Å; I279-T283 HydrophobicContact CG2-CG2 4.46Å; I279-T283 WeakPolarHBondContact O-CB 3.33Å; I279-T283 WeakPolarHBondContact O-CG2 3.36Å; I279-T283 PolarHBondContact O-OG1 3.45Å
280Q98.7Very high98.2Very high1 Ų138.8 Ų38.81%0.00519%0.194CC..Hα-helixtrans-66.6-36.8179.8-71.6158.4-0.700112.1L75 D215 A218 M219 T222 M276 L284L75-Q280 HydrophobicContact CD1-CB 4.02Å; D215-Q280 VanDerWaalsContact CA-NE2 3.32Å; D215-Q280 PolarHBondContact O-NE2 2.98Å; D215-Q280 VanDerWaalsContact O-NE2 3.1Å; D215-Q280 PolarHBondContact OD1-NE2 3.47Å; A218-Q280 HydrophobicContact CB-CG 4.27Å; M219-Q280 HydrophobicContact CG-CG 4.07Å; M219-Q280 HydrophobicContact SD-CB 4.34Å; M219-Q280 HydrophobicContact SD-CG 3.48Å; M219-Q280 WeakPolarHBondContact SD-CG 3.28Å; T222-Q280 WeakPolarHBondContact CG2-O 3.3Å; T222-Q280 VanDerWaalsContact OG1-CA 3.23Å; T222-Q280 WeakPolarHBondContact OG1-CA 3.34Å; T222-Q280 WeakPolarHBondContact OG1-CB 3.44Å; T222-Q280 PolarHBondContact OG1-O 3.36Å; M276-Q280 HydrophobicContact CE-CG 4.12Å; M276-Q280 VanDerWaalsContact O-CB 3.32Å; M276-Q280 WeakPolarHBondContact O-CB 3.08Å; M276-Q280 VanDerWaalsContact O-CD 3.3Å; M276-Q280 WeakPolarHBondContact O-CG 3.47Å; M276-Q280 PolarHBondContact O-N 3.37Å; M276-Q280 PolarHBondContact O-OE1 2.89Å; Q280-L284 WeakPolarHBondContact O-CD1 3.26Å
281N98.7Very high98.4Very high10 Ų1031.3 Ų31.35%0.05316%0.16CC..Hα-helixtrans-108.5-55.8-170.5-61.6-82.2000112.7V277 I279 T283 L284 F318 L340V277-N281 WeakPolarHBondContact O-CB 3.38Å; V277-N281 PolarHBondContact O-N 3.41Å; V277-N281 VanDerWaalsContact O-N 3.17Å; V277-N281 PolarHBondContact O-ND2 3Å; I279-N281 VanDerWaalsContact C-N 3.34Å; N281-T283 PolarHBondContact O-N 2.98Å; N281-T283 VanDerWaalsContact O-N 3.12Å; N281-L284 VanDerWaalsContact O-CB 3.3Å; N281-L284 WeakPolarHBondContact O-CB 3.42Å; N281-L284 PolarHBondContact O-N 3.46Å; N281-F318 HydrophobicContact CB-CE1 4.36Å; N281-F318 HydrophobicContact CB-CE2 3.55Å; N281-F318 HydrophobicContact CB-CZ 3.38Å; N281-L340 HydrophobicContact CB-CD2 4.3Å; N281-L340 WeakPolarHBondContact O-CD1 3.17Å
282A98.8Very high98.5Very high0 Ų021.8 Ų21.80%012%0.118CC..G310 helixtrans-67.1-20.3-170.400000113.9C257 A261 H278 L284 A285 S314 T315 F318C257-A282 PolarHBondContact SG-O 2.9Å; A261-A282 HydrophobicContact CB-CB 4.04Å; H278-A282 WeakPolarHBondContact O-CA 3.22Å; H278-A282 WeakPolarHBondContact O-CB 3.35Å; H278-A282 PolarHBondContact O-N 3.48Å; A282-L284 PolarHBondContact O-N 3.37Å; A282-A285 WeakPolarHBondContact O-CB 3.29Å; A282-A285 PolarHBondContact O-N 3.4Å; A282-S314 VanDerWaalsContact CA-OG 3.3Å; A282-S314 WeakPolarHBondContact CA-OG 3.29Å; A282-S314 VanDerWaalsContact CB-OG 3.3Å; A282-S314 WeakPolarHBondContact CB-OG 3.47Å; A282-T315 VanDerWaalsContact CB-OG1 3.29Å; A282-T315 WeakPolarHBondContact CB-OG1 3.44Å; A282-F318 HydrophobicContact CB-CD2 4.47Å
283T98.9Very high98.6Very high6 Ų620 Ų204%0.03710%0.1CC..G310 helixtrans-67.8-18.3174.358.40000113.3V258 A261 Y262 I279 N281V258-T283 HydrophobicContact CG2-CG2 4.19Å; A261-T283 HydrophobicContact CB-CG2 4.04Å; Y262-T283 HydrophobicContact CD2-CG2 4.25Å; Y262-T283 HydrophobicContact CE2-CG2 4.02Å; I279-T283 HydrophobicContact CG2-CG2 4.46Å; I279-T283 WeakPolarHBondContact O-CB 3.33Å; I279-T283 WeakPolarHBondContact O-CG2 3.36Å; I279-T283 PolarHBondContact O-OG1 3.45Å; N281-T283 PolarHBondContact O-N 2.98Å; N281-T283 VanDerWaalsContact O-N 3.12Å
284L98.9Very high98.6Very high0 Ų013.2 Ų13.20%07%0.07CC..G310 helixtrans-90.4-16.1-179.8-58.4176.9000112.8L75 T222 L225 W226 W229 Q280 N281 A282 G286 G287 L340L75-L284 HydrophobicContact CD2-CD1 4.29Å; T222-L284 HydrophobicContact CG2-CD1 4.45Å; T222-L284 HydrophobicContact CG2-CD2 4.21Å; T222-L284 HydrophobicContact CG2-CG 4.36Å; L225-L284 HydrophobicContact CB-CD1 4.12Å; L225-L284 HydrophobicContact CB-CD2 4.01Å; L225-L284 HydrophobicContact CD1-CD1 3.77Å; W226-L284 HydrophobicContact CB-CD2 3.7Å; W226-L284 HydrophobicContact CG-CD2 4.34Å; W229-L284 HydrophobicContact CE3-CB 4.35Å; W229-L284 HydrophobicContact CE3-CD2 4.12Å; W229-L284 HydrophobicContact CH2-CB 4.02Å; W229-L284 HydrophobicContact CZ3-CB 3.56Å; W229-L284 HydrophobicContact CZ3-CD1 4.07Å; W229-L284 HydrophobicContact CZ3-CD2 3.85Å; W229-L284 HydrophobicContact CZ3-CG 4.01Å; Q280-L284 WeakPolarHBondContact O-CD1 3.26Å; N281-L284 VanDerWaalsContact O-CB 3.3Å; N281-L284 WeakPolarHBondContact O-CB 3.42Å; N281-L284 PolarHBondContact O-N 3.46Å; A282-L284 PolarHBondContact O-N 3.37Å; L284-G286 PolarHBondContact O-N 3.38Å; L284-G286 VanDerWaalsContact O-N 3.11Å; L284-G287 PolarHBondContact O-N 2.95Å; L284-L340 HydrophobicContact CB-CD1 3.58Å; L284-L340 HydrophobicContact CB-CD2 4.33Å; L284-L340 HydrophobicContact CD1-CD2 4.17Å
285A98.9Very high98.6Very high0 Ų010.7 Ų10.70%06%0.057CC..Hα-helixtrans-59.6-27.9-173.500000113.7A282 G287 V288 A289 A310 L340 P344A282-A285 WeakPolarHBondContact O-CB 3.29Å; A282-A285 PolarHBondContact O-N 3.4Å; A285-G287 VanDerWaalsContact C-N 3.33Å; A285-G287 PolarHBondContact O-N 3.09Å; A285-V288 PolarHBondContact O-N 3.39Å; A285-A289 VanDerWaalsContact O-CB 3.3Å; A285-A289 WeakPolarHBondContact O-CB 3.23Å; A285-A289 PolarHBondContact O-N 3.18Å; A285-A310 HydrophobicContact CB-CB 4Å; A285-L340 HydrophobicContact CB-CD1 4.18Å; A285-P344 HydrophobicContact CB-CB 4.15Å; A285-P344 HydrophobicContact CB-CG 3.77Å
286G98.9Very high98.6Very high0 Ų08.3 Ų8.30%05%0.045CC..Hα-helixtrans-66.9-32.2176.100000113.5S253 C257 L284 V290S253-G286 VanDerWaalsContact OG-C 3.31Å; S253-G286 WeakPolarHBondContact OG-CA 3.05Å; S253-G286 PolarHBondContact OG-O 3.41Å; C257-G286 PolarHBondContact SG-N 3.38Å; L284-G286 PolarHBondContact O-N 3.38Å; L284-G286 VanDerWaalsContact O-N 3.11Å; G286-V290 VanDerWaalsContact O-CG1 3.25Å; G286-V290 WeakPolarHBondContact O-CG1 3.23Å; G286-V290 PolarHBondContact O-N 3.28Å
287G98.9Very high98.5Very high0 Ų010.3 Ų10.30%06%0.056CC..Hα-helixtrans-68-43.2174.600000111.2W229 N233 L254 L284 A285W229-G287 VanDerWaalsContact NE1-C 3.31Å; W229-G287 PolarHBondContact NE1-O 3.06Å; N233-G287 PolarHBondContact ND2-O 3.05Å; L254-G287 VanDerWaalsContact CD2-N 3.32Å; L284-G287 PolarHBondContact O-N 2.95Å; A285-G287 VanDerWaalsContact C-N 3.33Å; A285-G287 PolarHBondContact O-N 3.09Å
288V98.9Very high98.5Very high0 Ų09.2 Ų9.20%05%0.049CC..Hα-helixtrans-61.6-51.5172.8176.80000111.1S178 H182 W229 A285 V290 G291 L340 P344S178-V288 WeakPolarHBondContact CB-O 3.5Å; S178-V288 PolarHBondContact OG-O 2.94Å; H182-V288 HydrophobicContact CB-CG1 3.59Å; W229-V288 HydrophobicContact CH2-CG2 3.87Å; W229-V288 HydrophobicContact CZ2-CB 4.48Å; W229-V288 HydrophobicContact CZ2-CG2 3.42Å; W229-V288 VanDerWaalsContact CZ2-CG2 3.42Å; A285-V288 PolarHBondContact O-N 3.39Å; V288-V290 VanDerWaalsContact C-N 3.33Å; V288-V290 PolarHBondContact O-N 3.16Å; V288-G291 PolarHBondContact O-N 3.33Å; V288-L340 HydrophobicContact CG2-CD1 4.16Å; V288-P344 HydrophobicContact CB-CB 4.02Å; V288-P344 HydrophobicContact CG1-CB 3.82Å
289A98.9Very high98.4Very high0 Ų013.8 Ų13.80%07%0.07CC..Hα-helixtrans-71.3-23.2-169.400000114.3A285 I306 A310 P344 L347 G348A285-A289 VanDerWaalsContact O-CB 3.3Å; A285-A289 WeakPolarHBondContact O-CB 3.23Å; A285-A289 PolarHBondContact O-N 3.18Å; A289-I306 HydrophobicContact CB-CG2 3.61Å; A289-I306 WeakPolarHBondContact O-CG2 3.46Å; A289-A310 HydrophobicContact CB-CB 3.59Å; A289-P344 WeakPolarHBondContact CA-O 3.36Å; A289-P344 HydrophobicContact CB-CB 4.15Å; A289-L347 HydrophobicContact CB-CD2 3.93Å; A289-L347 HydrophobicContact CB-CG 4.25Å; A289-G348 WeakPolarHBondContact O-CA 3.35Å
290V98.9Very high98.4Very high0 Ų017 Ų170%09%0.092CC..Hα-helixtrans-89.5-14177.274.60000112.6N249 T250 G286 V288 T292 C293 A294 I298 A303 I306N249-V290 HydrophobicContact CB-CG2 4.26Å; T250-V290 HydrophobicContact CG2-CG1 4.43Å; G286-V290 VanDerWaalsContact O-CG1 3.25Å; G286-V290 WeakPolarHBondContact O-CG1 3.23Å; G286-V290 PolarHBondContact O-N 3.28Å; V288-V290 VanDerWaalsContact C-N 3.33Å; V288-V290 PolarHBondContact O-N 3.16Å; V290-T292 PolarHBondContact O-N 3.26Å; V290-C293 CarbonylContact O-C 3.57Å; V290-C293 PolarHBondContact O-N 2.81Å; V290-A294 WeakPolarHBondContact O-CA 3.36Å; V290-A294 WeakPolarHBondContact O-CB 3.41Å; V290-A294 PolarHBondContact O-N 2.83Å; V290-I298 HydrophobicContact CG2-CD1 4.2Å; V290-A303 HydrophobicContact CG2-CB 4.24Å; V290-I306 HydrophobicContact CB-CG2 4.27Å; V290-I306 HydrophobicContact CG2-CD1 4.46Å
291G98.7Very high98.3Very high0 Ų023.3 Ų23.30%012%0.119CC..G310 helixtrans-48.9-51.1-16900000114.8V175 G176 S178 V288 C293 A294V175-G291 VanDerWaalsContact CG1-O 3.27Å; V175-G291 WeakPolarHBondContact CG1-O 3.38Å; G176-G291 WeakPolarHBondContact CA-O 3.26Å; G176-G291 PolarHBondContact N-O 3.21Å; S178-G291 VanDerWaalsContact OG-CA 3.22Å; S178-G291 WeakPolarHBondContact OG-CA 3.49Å; S178-G291 PolarHBondContact OG-N 3.32Å; V288-G291 PolarHBondContact O-N 3.33Å; G291-C293 VanDerWaalsContact C-N 3.27Å; G291-C293 PolarHBondContact O-N 2.98Å; G291-A294 PolarHBondContact O-N 2.85Å
292T98.6Very high98.3Very high0 Ų023.4 Ų23.40%012%0.123CC..G310 helixtrans-59.2-35.5-178.4-56.50000113.7N173 D174 S178 M179 V290 M296 G348N173-T292 WeakPolarHBondContact O-CG2 3.15Å; D174-T292 HydrophobicContact CB-CG2 4.49Å; D174-T292 VanDerWaalsContact OD1-CA 3.26Å; D174-T292 WeakPolarHBondContact OD1-CA 3.48Å; D174-T292 VanDerWaalsContact OD1-CB 3.3Å; D174-T292 WeakPolarHBondContact OD1-CB 3.34Å; D174-T292 PolarHBondContact OD1-OG1 3.06Å; S178-T292 WeakPolarHBondContact CB-OG1 3.31Å; S178-T292 PolarHBondContact OG-N 3.39Å; S178-T292 PolarHBondContact OG-OG1 2.95Å; M179-T292 HydrophobicContact CE-CG2 3.99Å; V290-T292 PolarHBondContact O-N 3.26Å; T292-M296 WeakPolarHBondContact O-CE 3.12Å; T292-G348 WeakPolarHBondContact CB-O 3.33Å
293C97.9Very high98.4Very high0 Ų023.4 Ų23.40%012%0.123CC..G310 helixtrans-113.918.3-176.661.80000113.1V290 G291 D295 M296 I298 A355V290-C293 CarbonylContact O-C 3.57Å; V290-C293 PolarHBondContact O-N 2.81Å; G291-C293 VanDerWaalsContact C-N 3.27Å; G291-C293 PolarHBondContact O-N 2.98Å; C293-D295 VanDerWaalsContact C-N 3.27Å; C293-D295 PolarHBondContact O-N 2.75Å; C293-M296 HydrophobicContact CB-CB 4.26Å; C293-M296 HydrophobicContact CB-CE 4.39Å; C293-M296 HydrophobicContact CB-CG 4.2Å; C293-M296 HydrophobicContact CB-SD 3.6Å; C293-M296 VanDerWaalsContact CB-SD 3.6Å; C293-M296 WeakPolarHBondContact O-CB 3.42Å; C293-M296 PolarHBondContact O-N 3.31Å; C293-M296 VanDerWaalsContact O-N 3.14Å; C293-I298 HydrophobicContact CB-CG2 4.32Å; C293-A355 HydrophobicContact CB-CB 4.05Å
294A98.6Very high98.4Very high0 Ų027.8 Ų27.80%014%0.144CC..THydrogen-bonded Turntrans-62.4-39.7-173.900000110.8V175 N233 T245 A246 N249 V290 G291 M296V175-A294 HydrophobicContact CG1-CB 3.96Å; N233-A294 HydrophobicContact CB-CB 4.12Å; T245-A294 CarbonylContact C-O 3.57Å; A246-A294 WeakPolarHBondContact CA-O 3.43Å; A246-A294 HydrophobicContact CB-CB 4.07Å; A246-A294 PolarHBondContact N-O 3.31Å; N249-A294 WeakPolarHBondContact CB-O 3.37Å; N249-A294 PolarHBondContact ND2-O 3.48Å; V290-A294 WeakPolarHBondContact O-CA 3.36Å; V290-A294 WeakPolarHBondContact O-CB 3.41Å; V290-A294 PolarHBondContact O-N 2.83Å; G291-A294 PolarHBondContact O-N 2.85Å; A294-M296 VanDerWaalsContact C-N 3.32Å
295D97.8Very high98.4Very high35 Ų3532.5 Ų32.519%0.18717%0.169CC..THydrogen-bonded Turntrans-83.3-2.4179.165-18.1000114.5V175 T242 A246 C293V175-D295 HydrophobicContact CB-CB 4.34Å; V175-D295 HydrophobicContact CG1-CB 3.8Å; V175-D295 VanDerWaalsContact CG1-CG 3.44Å; V175-D295 WeakPolarHBondContact CG1-OD1 3.21Å; V175-D295 HydrophobicContact CG2-CB 4.36Å; T242-D295 HydrophobicContact CG2-CB 3.69Å; A246-D295 HydrophobicContact CB-CB 4.2Å; C293-D295 VanDerWaalsContact C-N 3.27Å; C293-D295 PolarHBondContact O-N 2.75Å
296M97.8Very high98.3Very high5 Ų533.7 Ų33.73%0.02518%0.175CC..SBendtrans-88.6152.7-178.9-60.4178-168.700111.8N173 N249 T292 C293 A294 I298 A355 V356 K360 A361N173-M296 HydrophobicContact CB-CE 3.54Å; N249-M296 PolarHBondContact ND2-O 2.89Å; T292-M296 WeakPolarHBondContact O-CE 3.12Å; C293-M296 HydrophobicContact CB-CB 4.26Å; C293-M296 HydrophobicContact CB-CE 4.39Å; C293-M296 HydrophobicContact CB-CG 4.2Å; C293-M296 HydrophobicContact CB-SD 3.6Å; C293-M296 VanDerWaalsContact CB-SD 3.6Å; C293-M296 WeakPolarHBondContact O-CB 3.42Å; C293-M296 PolarHBondContact O-N 3.31Å; C293-M296 VanDerWaalsContact O-N 3.14Å; A294-M296 VanDerWaalsContact C-N 3.32Å; M296-I298 HydrophobicContact CB-CG2 4.07Å; M296-I298 PolarHBondContact O-N 3.27Å; M296-A355 HydrophobicContact SD-CB 3.54Å; M296-A355 VanDerWaalsContact SD-CB 3.54Å; M296-V356 HydrophobicContact CE-CG2 3.81Å; M296-V356 HydrophobicContact SD-CG2 4.14Å; M296-K360 HydrophobicContact CB-CB 4.32Å; M296-K360 WeakPolarHBondContact CB-O 3.28Å; M296-A361 HydrophobicContact CE-CB 3.95Å; M296-A361 HydrophobicContact CG-CB 3.94Å; M296-A361 HydrophobicContact SD-CB 3.88Å
297N96.3Very high98.4Very high106 Ų10633.7 Ų33.757%0.56718%0.175SC*.  trans-79.163.6178.2-170.73.8000112.4Q299 K360N297-Q299 PolarHBondContact O-N 2.65Å; N297-K360 PolarHBondContact N-O 2.84Å; N297-K360 WeakPolarHBondContact O-CD 3.5Å
298I97.8Very high98.4Very high21 Ų2137.4 Ų37.411%0.10819%0.194CC..  trans-80.90.3177.261.9174000113.4V290 C293 M296 A303 I306 A355 K360V290-I298 HydrophobicContact CG2-CD1 4.2Å; C293-I298 HydrophobicContact CB-CG2 4.32Å; M296-I298 HydrophobicContact CB-CG2 4.07Å; M296-I298 PolarHBondContact O-N 3.27Å; I298-A303 HydrophobicContact CD1-CB 3.97Å; I298-I306 HydrophobicContact CD1-CD1 3.93Å; I298-A355 HydrophobicContact CG2-CB 3.84Å; I298-K360 HydrophobicContact CG2-CB 4.44Å
299Q97.3Very high98.4Very high100 Ų10039.9 Ų39.947%0.46721%0.209SC..Hα-helixtrans59.4151.7-167.7-53.5-173.515.300113.4N297 F301 G302 A303N297-Q299 PolarHBondContact O-N 2.65Å; Q299-F301 HydrophobicContact CB-CD1 3.68Å; Q299-F301 HydrophobicContact CB-CE1 3.7Å; Q299-F301 HydrophobicContact CG-CE1 4.22Å; Q299-F301 PolarHBondContact O-N 3.36Å; Q299-F301 VanDerWaalsContact O-N 3.12Å; Q299-F301 VanDerWaalsContact OE1-CE1 3.22Å; Q299-G302 PolarHBondContact O-N 3.29Å; Q299-A303 PolarHBondContact O-N 3.2Å
300P97.9Very high98.4Very high73 Ų7339.9 Ų39.947%0.47421%0.209SC..Hα-helixtrans-56.9-34.3-177-28.736.1000114.4G302 A303 M304P300-G302 VanDerWaalsContact C-N 3.29Å; P300-G302 PolarHBondContact O-N 3.44Å; P300-A303 PolarHBondContact O-N 3.26Å; P300-M304 WeakPolarHBondContact O-CG 3.34Å; P300-M304 PolarHBondContact O-N 2.91Å
301F98.2Very high98.4Very high133 Ų13339.9 Ų39.958%0.58321%0.209SC*.Hα-helixtrans-66.9-31.2177.685.8-91.3000112.6Q299 M304 L305Q299-F301 HydrophobicContact CB-CD1 3.68Å; Q299-F301 HydrophobicContact CB-CE1 3.7Å; Q299-F301 HydrophobicContact CG-CE1 4.22Å; Q299-F301 PolarHBondContact O-N 3.36Å; Q299-F301 VanDerWaalsContact O-N 3.12Å; Q299-F301 VanDerWaalsContact OE1-CE1 3.22Å; F301-M304 PolarHBondContact O-N 2.92Å; F301-L305 PolarHBondContact O-N 2.92Å
302G98.6Very high98.4Very high13 Ų1342.6 Ų42.613%0.13422%0.223CC..Hα-helixtrans-65.7-45.3175.900000110.9Q299 P300 M304 L305 I306Q299-G302 PolarHBondContact O-N 3.29Å; P300-G302 VanDerWaalsContact C-N 3.29Å; P300-G302 PolarHBondContact O-N 3.44Å; G302-M304 PolarHBondContact O-N 3.16Å; G302-L305 PolarHBondContact O-N 2.88Å; G302-I306 WeakPolarHBondContact O-CG1 3.29Å; G302-I306 PolarHBondContact O-N 3.16Å
303A98.9Very high98.4Very high0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-61.1-42.3173.400000112.4N249 V252 S253 V290 I298 Q299 P300 L305 I306 G307N249-A303 HydrophobicContact CB-CB 3.85Å; N249-A303 WeakPolarHBondContact O-CB 3.34Å; V252-A303 HydrophobicContact CG2-CB 3.65Å; S253-A303 WeakPolarHBondContact CA-O 3.43Å; S253-A303 WeakPolarHBondContact CB-O 3.45Å; S253-A303 PolarHBondContact OG-O 2.99Å; V290-A303 HydrophobicContact CG2-CB 4.24Å; I298-A303 HydrophobicContact CD1-CB 3.97Å; Q299-A303 PolarHBondContact O-N 3.2Å; P300-A303 PolarHBondContact O-N 3.26Å; A303-L305 VanDerWaalsContact C-N 3.34Å; A303-L305 PolarHBondContact O-N 3.47Å; A303-I306 PolarHBondContact O-N 2.76Å; A303-G307 PolarHBondContact O-N 3.33Å
304M98.9Very high98.4Very high97 Ų9745 Ų4548%0.47824%0.236SC..Hα-helixtrans-61.7-39.7174.6-69.317771.600112.7V252 A256 P300 F301 G302 G307 L308V252-M304 HydrophobicContact CB-CG 3.89Å; V252-M304 HydrophobicContact CG2-CG 4Å; A256-M304 HydrophobicContact CB-CB 4.11Å; A256-M304 HydrophobicContact CB-CG 4.45Å; A256-M304 VanDerWaalsContact CB-O 3.28Å; A256-M304 WeakPolarHBondContact CB-O 3.34Å; P300-M304 WeakPolarHBondContact O-CG 3.34Å; P300-M304 PolarHBondContact O-N 2.91Å; F301-M304 PolarHBondContact O-N 2.92Å; G302-M304 PolarHBondContact O-N 3.16Å; M304-G307 PolarHBondContact O-N 3.04Å; M304-L308 WeakPolarHBondContact O-CB 3.35Å; M304-L308 PolarHBondContact O-N 3.03Å
305L98.9Very high98.4Very high100 Ų10045 Ų4552%0.52424%0.236SC..Hα-helixtrans-65.4-42.4177.5-178.964.9000111.4F301 G302 A303 L308 V309F301-L305 PolarHBondContact O-N 2.92Å; G302-L305 PolarHBondContact O-N 2.88Å; A303-L305 VanDerWaalsContact C-N 3.34Å; A303-L305 PolarHBondContact O-N 3.47Å; L305-L308 HydrophobicContact CD1-CD2 4.37Å; L305-L308 PolarHBondContact O-N 3.08Å; L305-V309 HydrophobicContact CD1-CG2 4.42Å; L305-V309 WeakPolarHBondContact O-CG2 3.32Å; L305-V309 PolarHBondContact O-N 3.41Å
306I98.9Very high98.5Very high24 Ų2446.2 Ų46.212%0.12324%0.242CC..Hα-helixtrans-58.6-49.4174.3-68167.3000109.9A289 V290 I298 G302 A303 L308 V309 A310 A351A289-I306 HydrophobicContact CB-CG2 3.61Å; A289-I306 WeakPolarHBondContact O-CG2 3.46Å; V290-I306 HydrophobicContact CB-CG2 4.27Å; V290-I306 HydrophobicContact CG2-CD1 4.46Å; I298-I306 HydrophobicContact CD1-CD1 3.93Å; G302-I306 WeakPolarHBondContact O-CG1 3.29Å; G302-I306 PolarHBondContact O-N 3.16Å; A303-I306 PolarHBondContact O-N 2.76Å; I306-L308 PolarHBondContact O-N 2.79Å; I306-V309 PolarHBondContact O-N 2.86Å; I306-A310 VanDerWaalsContact O-CB 3.29Å; I306-A310 WeakPolarHBondContact O-CB 3.49Å; I306-A310 PolarHBondContact O-N 2.75Å; I306-A351 HydrophobicContact CD1-CB 3.86Å; I306-A351 HydrophobicContact CG1-CB 4.31Å
307G98.9Very high98.5Very high0 Ų046 Ų460%024%0.241CC..Hα-helixtrans-59.6-45177.700000113.7S253 C257 A303 M304 V309 A310 G311S253-G307 WeakPolarHBondContact O-CA 3.33Å; S253-G307 VanDerWaalsContact OG-CA 3.25Å; S253-G307 WeakPolarHBondContact OG-CA 3.34Å; S253-G307 PolarHBondContact OG-N 3.25Å; C257-G307 VanDerWaalsContact CA-O 3.23Å; C257-G307 WeakPolarHBondContact CA-O 3.43Å; C257-G307 WeakPolarHBondContact CB-O 3.48Å; A303-G307 PolarHBondContact O-N 3.33Å; M304-G307 PolarHBondContact O-N 3.04Å; G307-V309 PolarHBondContact O-N 3.24Å; G307-A310 PolarHBondContact O-N 3.17Å; G307-G311 PolarHBondContact O-N 2.85Å
308L98.9Very high98.6Very high78 Ų7842 Ų4241%0.40822%0.219SC..Hα-helixtrans-57.2-49.6175.6-178.982.5000111.4S260 M304 L305 I306 I312S260-L308 WeakPolarHBondContact CB-O 3.42Å; S260-L308 PolarHBondContact OG-O 3.23Å; M304-L308 WeakPolarHBondContact O-CB 3.35Å; M304-L308 PolarHBondContact O-N 3.03Å; L305-L308 HydrophobicContact CD1-CD2 4.37Å; L305-L308 PolarHBondContact O-N 3.08Å; I306-L308 PolarHBondContact O-N 2.79Å; L308-I312 HydrophobicContact CG-CD1 4.25Å; L308-I312 VanDerWaalsContact O-CG1 3.29Å; L308-I312 WeakPolarHBondContact O-CG1 3.4Å; L308-I312 PolarHBondContact O-N 3.32Å
309V98.9Very high98.6Very high53 Ų5344.4 Ų44.432%0.32123%0.228SC..Hα-helixtrans-65.5-42.4179.9174.40000110.4L305 I306 G307 G311 I312 I313 L347L305-V309 HydrophobicContact CD1-CG2 4.42Å; L305-V309 WeakPolarHBondContact O-CG2 3.32Å; L305-V309 PolarHBondContact O-N 3.41Å; I306-V309 PolarHBondContact O-N 2.86Å; G307-V309 PolarHBondContact O-N 3.24Å; V309-G311 PolarHBondContact O-N 2.98Å; V309-I312 PolarHBondContact O-N 2.78Å; V309-I313 HydrophobicContact CG1-CG2 4.22Å; V309-I313 WeakPolarHBondContact O-CG1 3.39Å; V309-I313 WeakPolarHBondContact O-CG2 3.28Å; V309-I313 PolarHBondContact O-N 3.13Å; V309-L347 HydrophobicContact CB-CD2 4.29Å; V309-L347 HydrophobicContact CG1-CD1 4.4Å; V309-L347 HydrophobicContact CG1-CD2 3.89Å
310A98.9Very high98.5Very high0 Ų044.1 Ų44.10%023%0.229CC..Hα-helixtrans-58.7-46.6179.400000112.4A285 A289 I306 G307 I312 I313 S314 L347A285-A310 HydrophobicContact CB-CB 4Å; A289-A310 HydrophobicContact CB-CB 3.59Å; I306-A310 VanDerWaalsContact O-CB 3.29Å; I306-A310 WeakPolarHBondContact O-CB 3.49Å; I306-A310 PolarHBondContact O-N 2.75Å; G307-A310 PolarHBondContact O-N 3.17Å; A310-I312 PolarHBondContact O-N 3.3Å; A310-I313 WeakPolarHBondContact O-CG1 3.41Å; A310-I313 PolarHBondContact O-N 3.43Å; A310-S314 WeakPolarHBondContact O-CB 3.35Å; A310-S314 PolarHBondContact O-N 3.18Å; A310-L347 HydrophobicContact CB-CD2 4.06Å
311G98.9Very high98.5Very high0 Ų043.9 Ų43.90%022%0.223CC..Hα-helixtrans-66.3-37.6178.200000112.6C257 S260 G307 V309 T315C257-G311 WeakPolarHBondContact SG-CA 3.34Å; C257-G311 PolarHBondContact SG-N 3.04Å; S260-G311 VanDerWaalsContact OG-CA 3.27Å; S260-G311 WeakPolarHBondContact OG-CA 3.21Å; G307-G311 PolarHBondContact O-N 2.85Å; V309-G311 PolarHBondContact O-N 2.98Å; G311-T315 WeakPolarHBondContact O-CB 3.2Å; G311-T315 PolarHBondContact O-N 2.89Å; G311-T315 PolarHBondContact O-OG1 3.29Å
312I98.9Very high98.4Very high56 Ų5638.8 Ų38.829%0.28720%0.204SC..Hα-helixtrans-61.4-54.2173.7-65166.7000111I264 L308 V309 A310 S314 T315 L316I264-I312 HydrophobicContact CD1-CG1 4.26Å; I264-I312 HydrophobicContact CG1-CB 4.28Å; I264-I312 HydrophobicContact CG1-CG1 3.81Å; I264-I312 HydrophobicContact CG1-CG2 4.31Å; L308-I312 HydrophobicContact CG-CD1 4.25Å; L308-I312 VanDerWaalsContact O-CG1 3.29Å; L308-I312 WeakPolarHBondContact O-CG1 3.4Å; L308-I312 PolarHBondContact O-N 3.32Å; V309-I312 PolarHBondContact O-N 2.78Å; A310-I312 PolarHBondContact O-N 3.3Å; I312-S314 VanDerWaalsContact C-N 3.33Å; I312-S314 PolarHBondContact O-N 3.42Å; I312-T315 PolarHBondContact O-N 3.33Å; I312-L316 HydrophobicContact CG2-CD1 3.82Å; I312-L316 HydrophobicContact CG2-CG 4.45Å; I312-L316 WeakPolarHBondContact O-CB 3.47Å; I312-L316 VanDerWaalsContact O-CG 3.29Å; I312-L316 WeakPolarHBondContact O-CG 3.45Å; I312-L316 PolarHBondContact O-N 2.97Å
313I98.6Very high98.2Very high51 Ų5141.4 Ų41.426%0.26222%0.219SC..Hα-helixtrans-67.5-35.4-175.568.1174.9000111.7V309 A310 G317 M343 L347V309-I313 HydrophobicContact CG1-CG2 4.22Å; V309-I313 WeakPolarHBondContact O-CG1 3.39Å; V309-I313 WeakPolarHBondContact O-CG2 3.28Å; V309-I313 PolarHBondContact O-N 3.13Å; A310-I313 WeakPolarHBondContact O-CG1 3.41Å; A310-I313 PolarHBondContact O-N 3.43Å; I313-G317 WeakPolarHBondContact O-CA 3.39Å; I313-G317 PolarHBondContact O-N 2.82Å; I313-M343 HydrophobicContact CD1-CB 4.27Å; I313-L347 HydrophobicContact CD1-CB 4.31Å; I313-L347 HydrophobicContact CD1-CD2 3.88Å
314S98.9Very high98Very high0 Ų045.4 Ų45.40%024%0.24CC..Hα-helixtrans-66.9-48.6178.3-178.90000110.5A282 A310 I312 G317 F318 N339A282-S314 VanDerWaalsContact CA-OG 3.3Å; A282-S314 WeakPolarHBondContact CA-OG 3.29Å; A282-S314 VanDerWaalsContact CB-OG 3.3Å; A282-S314 WeakPolarHBondContact CB-OG 3.47Å; A310-S314 WeakPolarHBondContact O-CB 3.35Å; A310-S314 PolarHBondContact O-N 3.18Å; I312-S314 VanDerWaalsContact C-N 3.33Å; I312-S314 PolarHBondContact O-N 3.42Å; S314-G317 WeakPolarHBondContact O-CA 3.38Å; S314-G317 PolarHBondContact O-N 3.34Å; S314-G317 VanDerWaalsContact O-N 3.13Å; S314-F318 VanDerWaalsContact O-CD2 3.23Å; S314-F318 WeakPolarHBondContact O-CD2 3.44Å; S314-F318 PolarHBondContact O-N 3.07Å; S314-N339 WeakPolarHBondContact CA-O 3.38Å; S314-N339 VanDerWaalsContact CB-O 3.23Å; S314-N339 WeakPolarHBondContact CB-O 3.46Å; S314-N339 PolarHBondContact OG-O 3.32Å
315T98.9Very high97.8Very high0 Ų041.8 Ų41.80%022%0.222CC..Hα-helixtrans-64-43.2179.3-58.30000112A261 I264 H278 A282 G311 I312 G317 F318 K319A261-T315 WeakPolarHBondContact CA-OG1 3.26Å; I264-T315 HydrophobicContact CB-CG2 4.01Å; I264-T315 HydrophobicContact CG2-CG2 3.65Å; H278-T315 HydrophobicContact CB-CG2 4.15Å; A282-T315 VanDerWaalsContact CB-OG1 3.29Å; A282-T315 WeakPolarHBondContact CB-OG1 3.44Å; G311-T315 WeakPolarHBondContact O-CB 3.2Å; G311-T315 PolarHBondContact O-N 2.89Å; G311-T315 PolarHBondContact O-OG1 3.29Å; I312-T315 PolarHBondContact O-N 3.33Å; T315-G317 VanDerWaalsContact C-N 3.26Å; T315-G317 PolarHBondContact O-N 2.72Å; T315-F318 PolarHBondContact O-N 3.06Å; T315-K319 PolarHBondContact O-N 2.94Å; T315-K319 VanDerWaalsContact O-N 3.1Å
316L98.6Very high97.5Very high61 Ų6138.7 Ų38.732%0.31921%0.211SC..Hα-helixtrans-63.8-34.3173.4-67.9177.3000111.9I264 V268 I312 K319 L320I264-L316 HydrophobicContact CG2-CD2 3.88Å; I264-L316 HydrophobicContact CG2-CG 4.04Å; V268-L316 HydrophobicContact CG1-CD2 3.95Å; I312-L316 HydrophobicContact CG2-CD1 3.82Å; I312-L316 HydrophobicContact CG2-CG 4.45Å; I312-L316 WeakPolarHBondContact O-CB 3.47Å; I312-L316 VanDerWaalsContact O-CG 3.29Å; I312-L316 WeakPolarHBondContact O-CG 3.45Å; I312-L316 PolarHBondContact O-N 2.97Å; L316-K319 PolarHBondContact O-N 3.42Å; L316-L320 HydrophobicContact CD2-CD1 4.09Å; L316-L320 WeakPolarHBondContact O-CA 3.29Å; L316-L320 VanDerWaalsContact O-CB 3.25Å; L316-L320 WeakPolarHBondContact O-CB 3.3Å; L316-L320 PolarHBondContact O-N 3.17Å
317G98.5Very high97.1Very high0 Ų041.3 Ų41.30%023%0.231CC..Iπ-helixtrans-58.2-52.1173.900000112.3I313 S314 T315 K319 L321 S322 N339I313-G317 WeakPolarHBondContact O-CA 3.39Å; I313-G317 PolarHBondContact O-N 2.82Å; S314-G317 WeakPolarHBondContact O-CA 3.38Å; S314-G317 PolarHBondContact O-N 3.34Å; S314-G317 VanDerWaalsContact O-N 3.13Å; T315-G317 VanDerWaalsContact C-N 3.26Å; T315-G317 PolarHBondContact O-N 2.72Å; G317-K319 PolarHBondContact O-N 3.45Å; G317-L321 CarbonylContact O-C 3.54Å; G317-L321 WeakPolarHBondContact O-CA 3.35Å; G317-L321 WeakPolarHBondContact O-CB 3.46Å; G317-L321 PolarHBondContact O-N 3.2Å; G317-S322 PolarHBondContact O-N 3Å; G317-N339 WeakPolarHBondContact CA-OD1 3.43Å; G317-N339 PolarHBondContact O-OD1 3.46Å
318F98.3Very high96.8Very high23 Ų2347.2 Ų47.210%0.10126%0.263CS..Iπ-helixtrans-58.4-47.2176.2-81.6-74.8000112.1V277 N281 A282 S314 T315 C335 N339V277-F318 HydrophobicContact CG1-CD1 3.62Å; V277-F318 HydrophobicContact CG1-CE1 3.76Å; V277-F318 HydrophobicContact CG1-CG 4.3Å; N281-F318 HydrophobicContact CB-CE1 4.36Å; N281-F318 HydrophobicContact CB-CE2 3.55Å; N281-F318 HydrophobicContact CB-CZ 3.38Å; A282-F318 HydrophobicContact CB-CD2 4.47Å; S314-F318 VanDerWaalsContact O-CD2 3.23Å; S314-F318 WeakPolarHBondContact O-CD2 3.44Å; S314-F318 PolarHBondContact O-N 3.07Å; T315-F318 PolarHBondContact O-N 3.06Å; F318-C335 WeakPolarHBondContact CE1-O 3.4Å; F318-N339 WeakPolarHBondContact CA-ND2 3.38Å; F318-N339 HydrophobicContact CD1-CB 4.48Å; F318-N339 WeakPolarHBondContact CD1-ND2 3.45Å; F318-N339 HydrophobicContact CD2-CB 3.61Å; F318-N339 HydrophobicContact CE1-CB 4.41Å; F318-N339 HydrophobicContact CE2-CB 3.5Å; F318-N339 VanDerWaalsContact CE2-CB 3.5Å; F318-N339 HydrophobicContact CG-CB 4.09Å; F318-N339 HydrophobicContact CZ-CB 3.92Å; F318-N339 PolarHBondContact N-ND2 2.75Å
319K97.5Very high96.7Very high70 Ų7048.1 Ų48.130%0.30427%0.268SS..Iπ-helixtrans-71.6-39.9-175.7-175.259.5169.5-165.60113.7V268 E269 T315 L316 G317V268-K319 HydrophobicContact CB-CG 4.12Å; V268-K319 HydrophobicContact CG2-CB 4.14Å; V268-K319 HydrophobicContact CG2-CD 4.36Å; V268-K319 HydrophobicContact CG2-CG 3.87Å; E269-K319 WeakPolarHBondContact OE1-CD 3.39Å; E269-K319 WeakPolarHBondContact OE1-CE 3.39Å; E269-K319 IonicContact OE1-NZ 2.7Å; E269-K319 PolarHBondContact OE1-NZ 3.11Å; E269-K319 IonicContact OE2-NZ 3.25Å; E269-K319 PolarHBondContact OE2-NZ 3.34Å; T315-K319 PolarHBondContact O-N 2.94Å; T315-K319 VanDerWaalsContact O-N 3.1Å; L316-K319 PolarHBondContact O-N 3.42Å; G317-K319 PolarHBondContact O-N 3.45Å
320L96.5Very high96.5Very high95 Ų9546 Ų4650%0.49726%0.257SS..Iπ-helixtrans-114.8-43.7-166.2-54.1177.4000112.9L316 I324L316-L320 HydrophobicContact CD2-CD1 4.09Å; L316-L320 WeakPolarHBondContact O-CA 3.29Å; L316-L320 VanDerWaalsContact O-CB 3.25Å; L316-L320 WeakPolarHBondContact O-CB 3.3Å; L316-L320 PolarHBondContact O-N 3.17Å; L320-I324 VanDerWaalsContact O-CD1 3.22Å; L320-I324 WeakPolarHBondContact O-CD1 3.37Å; L320-I324 VanDerWaalsContact O-CG1 3.25Å; L320-I324 WeakPolarHBondContact O-CG1 3.27Å
321L96.2Very high96.5Very high67 Ų6747.2 Ų47.235%0.35126%0.263SS..Iπ-helixtrans-83.8-43.3-172.5-62.1179.3000112.8G317 P323 I324 L325 M343G317-L321 CarbonylContact O-C 3.54Å; G317-L321 WeakPolarHBondContact O-CA 3.35Å; G317-L321 WeakPolarHBondContact O-CB 3.46Å; G317-L321 PolarHBondContact O-N 3.2Å; L321-P323 VanDerWaalsContact C-N 3.35Å; L321-I324 CarbonylContact O-C 3.5Å; L321-I324 WeakPolarHBondContact O-CA 3.39Å; L321-I324 WeakPolarHBondContact O-CB 3.42Å; L321-I324 PolarHBondContact O-N 3.18Å; L321-L325 WeakPolarHBondContact O-CG 3.44Å; L321-L325 PolarHBondContact O-N 2.86Å; L321-M343 HydrophobicContact CD1-CE 3.77Å; L321-M343 HydrophobicContact CD1-SD 3.47Å; L321-M343 WeakPolarHBondContact CD1-SD 3.49Å
322S96.1Very high96.5Very high26 Ų2648.2 Ų48.218%0.18227%0.268CS..Hα-helixtrans-51.1-47.8177.3-80.90000112.8G317 I324 L325 A326 N339G317-S322 PolarHBondContact O-N 3Å; S322-I324 VanDerWaalsContact C-N 3.33Å; S322-I324 PolarHBondContact O-N 3.08Å; S322-L325 PolarHBondContact O-N 3.49Å; S322-A326 PolarHBondContact O-N 3.1Å; S322-A326 VanDerWaalsContact O-N 3.07Å; S322-N339 PolarHBondContact OG-ND2 3.42Å
323P94.4Very high96.4Very high69 Ų6946.6 Ų46.645%0.44826%0.26SS..Hα-helixtrans-60.3-38.8175-24.934.9000113.6L321 S327L321-P323 VanDerWaalsContact C-N 3.35Å; P323-S327 WeakPolarHBondContact O-CB 3.39Å; P323-S327 PolarHBondContact O-N 2.87Å; P323-S327 PolarHBondContact O-OG 3.04Å
324I95.1Very high96.4Very high84 Ų8445 Ų4543%0.43125%0.252SS..Hα-helixtrans-68.6-43.4179.1-65.2169.2000110.7L320 L321 S322 A326 S327 N328L320-I324 VanDerWaalsContact O-CD1 3.22Å; L320-I324 WeakPolarHBondContact O-CD1 3.37Å; L320-I324 VanDerWaalsContact O-CG1 3.25Å; L320-I324 WeakPolarHBondContact O-CG1 3.27Å; L321-I324 CarbonylContact O-C 3.5Å; L321-I324 WeakPolarHBondContact O-CA 3.39Å; L321-I324 WeakPolarHBondContact O-CB 3.42Å; L321-I324 PolarHBondContact O-N 3.18Å; S322-I324 VanDerWaalsContact C-N 3.33Å; S322-I324 PolarHBondContact O-N 3.08Å; I324-A326 VanDerWaalsContact C-N 3.32Å; I324-A326 PolarHBondContact O-N 3.45Å; I324-S327 PolarHBondContact O-N 3.03Å; I324-N328 HydrophobicContact CG2-CB 4.39Å; I324-N328 WeakPolarHBondContact O-CB 3.38Å; I324-N328 PolarHBondContact O-N 3.07Å
325L94.2Very high96.4Very high21 Ų2145.7 Ų45.711%0.1126%0.257CS..Iπ-helixtrans-58.8-45176.6-68.6-176.3000111.1L321 S322 L329 G330 I331 H338L321-L325 WeakPolarHBondContact O-CG 3.44Å; L321-L325 PolarHBondContact O-N 2.86Å; S322-L325 PolarHBondContact O-N 3.49Å; L325-L329 HydrophobicContact CD2-CD1 3.71Å; L325-L329 CarbonylContact O-C 3.59Å; L325-L329 WeakPolarHBondContact O-CA 3.45Å; L325-L329 WeakPolarHBondContact O-CB 3.49Å; L325-L329 PolarHBondContact O-N 3.28Å; L325-G330 PolarHBondContact O-N 3.45Å; L325-I331 CarbonylContact C-O 3.59Å; L325-I331 HydrophobicContact CB-CB 4.27Å; L325-I331 PolarHBondContact O-N 3.29Å; L325-H338 HydrophobicContact CD1-CB 4.22Å
326A93.2Very high96.4Very high35 Ų3545.8 Ų45.829%0.28926%0.258SS..Iπ-helixtrans-67.8-46.5179.400000112.7S322 I324 I331S322-A326 PolarHBondContact O-N 3.1Å; S322-A326 VanDerWaalsContact O-N 3.07Å; I324-A326 VanDerWaalsContact C-N 3.32Å; I324-A326 PolarHBondContact O-N 3.45Å; A326-I331 VanDerWaalsContact CA-O 3.27Å; A326-I331 WeakPolarHBondContact CA-O 3.48Å; A326-I331 PolarHBondContact N-O 2.97Å
327S91.4Very high96.4Very high78 Ų7843.1 Ų43.155%0.54524%0.244SC..Iπ-helixtrans-81.3-39.4-172.956.40000114.1P323 I324P323-S327 WeakPolarHBondContact O-CB 3.39Å; P323-S327 PolarHBondContact O-N 2.87Å; P323-S327 PolarHBondContact O-OG 3.04Å; I324-S327 PolarHBondContact O-N 3.03Å
328N92.9Very high96.4Very high125 Ų12544.2 Ų44.267%0.66825%0.249SC*.Iπ-helixtrans-99.2-35-173.7-67.845.7000113I324I324-N328 HydrophobicContact CG2-CB 4.39Å; I324-N328 WeakPolarHBondContact O-CB 3.38Å; I324-N328 PolarHBondContact O-N 3.07Å
329L94.8Very high96.4Very high96 Ų9643.1 Ų43.150%0.50324%0.244SC..Iπ-helixtrans-104.4-10.6-176.1-58.1-175000113.3R194 L325 I331R194-L329 VanDerWaalsContact CD-O 3.22Å; R194-L329 WeakPolarHBondContact CD-O 3.24Å; R194-L329 PolarHBondContact NE-O 3.41Å; L325-L329 HydrophobicContact CD2-CD1 3.71Å; L325-L329 CarbonylContact O-C 3.59Å; L325-L329 WeakPolarHBondContact O-CA 3.45Å; L325-L329 WeakPolarHBondContact O-CB 3.49Å; L325-L329 PolarHBondContact O-N 3.28Å; L329-I331 VanDerWaalsContact C-N 3.32Å; L329-I331 HydrophobicContact CB-CD1 4.14Å; L329-I331 HydrophobicContact CB-CG1 4.09Å; L329-I331 HydrophobicContact CD1-CD1 4.49Å
330G96.6Very high96.5Very high9 Ų939.9 Ų39.99%0.09323%0.23CC..  trans6831.1-177.800000112.9R194 Y197 L325R194-G330 WeakPolarHBondContact CD-O 3.42Å; Y197-G330 WeakPolarHBondContact CD2-O 3.19Å; L325-G330 PolarHBondContact O-N 3.45Å
331I98.1Very high96.6Very high26 Ų2635.7 Ų35.713%0.13321%0.208CC..  trans-103.5101176.6-55.3177.9000107.7L190 R194 L325 A326 L329 D333L190-I331 HydrophobicContact CB-CG2 4.33Å; L190-I331 HydrophobicContact CD2-CG2 4.26Å; L190-I331 HydrophobicContact CG-CG2 3.91Å; R194-I331 HydrophobicContact CB-CG1 4.09Å; R194-I331 HydrophobicContact CG-CG1 4.23Å; L325-I331 CarbonylContact C-O 3.59Å; L325-I331 HydrophobicContact CB-CB 4.27Å; L325-I331 PolarHBondContact O-N 3.29Å; A326-I331 VanDerWaalsContact CA-O 3.27Å; A326-I331 WeakPolarHBondContact CA-O 3.48Å; A326-I331 PolarHBondContact N-O 2.97Å; L329-I331 VanDerWaalsContact C-N 3.32Å; L329-I331 HydrophobicContact CB-CD1 4.14Å; L329-I331 HydrophobicContact CB-CG1 4.09Å; L329-I331 HydrophobicContact CD1-CD1 4.49Å; I331-D333 PolarHBondContact O-N 3.44Å
332Q97.8Very high96.7Very high21 Ų2132.5 Ų32.510%0.09819%0.192CC..  trans-89.594177.8-69.3163-25.800108.3K142 Y197 R198K142-Q332 PolarHBondContact NZ-O 2.97Å; Y197-Q332 HydrophobicContact CD2-CG 4.22Å; Y197-Q332 HydrophobicContact CE2-CG 4.3Å; R198-Q332 PolarHBondContact O-NE2 2.87Å
333D98.4Very high96.9Very high22 Ų2232.9 Ų32.912%0.11819%0.191CC..  trans-99.5102.8-178.2179.91.6000110.1I331 G336 V337 H338I331-D333 PolarHBondContact O-N 3.44Å; D333-G336 VanDerWaalsContact CG-CA 3.43Å; D333-G336 PolarHBondContact O-N 3.02Å; D333-G336 WeakPolarHBondContact OD1-CA 3.36Å; D333-G336 PolarHBondContact OD1-N 3.43Å; D333-G336 VanDerWaalsContact OD1-N 3.1Å; D333-G336 VanDerWaalsContact OD2-CA 3.28Å; D333-G336 WeakPolarHBondContact OD2-CA 3.43Å; D333-V337 VanDerWaalsContact CG-N 3.29Å; D333-V337 PolarHBondContact OD1-N 2.99Å; D333-V337 PolarHBondContact OD2-N 3.19Å; D333-H338 WeakPolarHBondContact OD2-CB 3.44Å; D333-H338 PolarHBondContact OD2-N 2.95Å
334T98.5Very high97.1Very high18 Ų1829.6 Ų29.611%0.1117%0.17CC..SBendtrans-65.8-50-168.7-550000112.4F78 L79 G137 A138 L140 K142 G336 F405F78-T334 HydrophobicContact CZ-CG2 4.26Å; L79-T334 HydrophobicContact CD1-CG2 4.03Å; L79-T334 HydrophobicContact CD2-CG2 4.47Å; G137-T334 WeakPolarHBondContact O-CB 3.24Å; A138-T334 PolarHBondContact O-N 3.2Å; L140-T334 HydrophobicContact CB-CG2 3.99Å; L140-T334 HydrophobicContact CD2-CG2 4.24Å; L140-T334 HydrophobicContact CG-CG2 4.37Å; L140-T334 PolarHBondContact O-OG1 2.93Å; K142-T334 WeakPolarHBondContact CE-OG1 3.28Å; K142-T334 PolarHBondContact NZ-OG1 2.87Å; T334-G336 VanDerWaalsContact C-N 3.31Å; T334-F405 HydrophobicContact CG2-CD1 4.38Å; T334-F405 HydrophobicContact CG2-CE1 3.84Å
335C98.4Very high97.2Very high14 Ų1425.6 Ų25.610%0.09515%0.149CC..SBendtrans-87.4-0.6179.4-61.50000113.1G137 L140 F318 V337G137-C335 VanDerWaalsContact CA-SG 3.55Å; G137-C335 PolarHBondContact O-N 2.82Å; G137-C335 PolarHBondContact O-SG 2.73Å; G137-C335 VanDerWaalsContact O-SG 3.41Å; L140-C335 WeakPolarHBondContact CD2-SG 3.24Å; F318-C335 WeakPolarHBondContact CE1-O 3.4Å; C335-V337 VanDerWaalsContact C-N 3.3Å; C335-V337 HydrophobicContact CB-CG1 3.79Å; C335-V337 PolarHBondContact O-N 3.39Å
336G98.5Very high97.5Very high2 Ų226.8 Ų26.82%0.02116%0.155CC..  trans60.241.8-171.200000111.9D333 T334 H338 N339 L340D333-G336 VanDerWaalsContact CG-CA 3.43Å; D333-G336 PolarHBondContact O-N 3.02Å; D333-G336 WeakPolarHBondContact OD1-CA 3.36Å; D333-G336 PolarHBondContact OD1-N 3.43Å; D333-G336 VanDerWaalsContact OD1-N 3.1Å; D333-G336 VanDerWaalsContact OD2-CA 3.28Å; D333-G336 WeakPolarHBondContact OD2-CA 3.43Å; T334-G336 VanDerWaalsContact C-N 3.31Å; G336-H338 PolarHBondContact O-N 3.38Å; G336-H338 VanDerWaalsContact O-N 3.16Å; G336-N339 WeakPolarHBondContact O-CB 3.27Å; G336-N339 PolarHBondContact O-N 2.87Å; G336-L340 PolarHBondContact O-N 2.93Å
337V98.8Very high97.7Very high5 Ų527 Ų273%0.0315%0.151CC..Hα-helixtrans-62.4-22.8-178.1-52.20000112I134 A138 A186 L190 D333 C335 N339 H341 G342I134-V337 HydrophobicContact CG2-CB 4.23Å; I134-V337 WeakPolarHBondContact O-CG1 3.37Å; A138-V337 HydrophobicContact CB-CG2 3.79Å; A186-V337 HydrophobicContact CB-CG2 4.44Å; L190-V337 HydrophobicContact CD1-CG2 3.52Å; D333-V337 VanDerWaalsContact CG-N 3.29Å; D333-V337 PolarHBondContact OD1-N 2.99Å; D333-V337 PolarHBondContact OD2-N 3.19Å; C335-V337 VanDerWaalsContact C-N 3.3Å; C335-V337 HydrophobicContact CB-CG1 3.79Å; C335-V337 PolarHBondContact O-N 3.39Å; V337-N339 VanDerWaalsContact C-N 3.26Å; V337-N339 PolarHBondContact O-N 3.25Å; V337-H341 WeakPolarHBondContact O-CA 3.45Å; V337-H341 WeakPolarHBondContact O-CB 3.44Å; V337-H341 PolarHBondContact O-N 3.42Å; V337-G342 PolarHBondContact O-N 3.47Å
338H98.8Very high98.1Very high22 Ų2223.2 Ų23.210%0.10213%0.125CC..Iπ-helixtrans-58.1-39.5168-173.960.1000112.6Y187 L190 L325 D333 G336 G342 M343Y187-H338 AromaticContact CE1-CE1 3.84Å; Y187-H338 AromaticContact CE1-ND1 3.74Å; Y187-H338 AromaticContact CZ-CE1 3.87Å; Y187-H338 AromaticContact CZ-ND1 3.86Å; Y187-H338 PolarHBondContact OH-CE1 2.87Å; L190-H338 HydrophobicContact CD1-CB 4.1Å; L190-H338 HydrophobicContact CD2-CB 3.86Å; L325-H338 HydrophobicContact CD1-CB 4.22Å; D333-H338 WeakPolarHBondContact OD2-CB 3.44Å; D333-H338 PolarHBondContact OD2-N 2.95Å; G336-H338 PolarHBondContact O-N 3.38Å; G336-H338 VanDerWaalsContact O-N 3.16Å; H338-G342 CarbonylContact O-C 3.4Å; H338-G342 WeakPolarHBondContact O-CA 3.32Å; H338-G342 PolarHBondContact O-N 2.96Å; H338-M343 WeakPolarHBondContact NE2-CG 3.33Å; H338-M343 PolarHBondContact O-N 3.39Å
339N98.8Very high98.4Very high0 Ų017.3 Ų17.30%09%0.093CC..Iπ-helixtrans-79.9-34.8-173.2-52.6-47.3000112.3S314 G317 F318 S322 G336 V337 M343 P344S314-N339 WeakPolarHBondContact CA-O 3.38Å; S314-N339 VanDerWaalsContact CB-O 3.23Å; S314-N339 WeakPolarHBondContact CB-O 3.46Å; S314-N339 PolarHBondContact OG-O 3.32Å; G317-N339 WeakPolarHBondContact CA-OD1 3.43Å; G317-N339 PolarHBondContact O-OD1 3.46Å; F318-N339 WeakPolarHBondContact CA-ND2 3.38Å; F318-N339 HydrophobicContact CD1-CB 4.48Å; F318-N339 WeakPolarHBondContact CD1-ND2 3.45Å; F318-N339 HydrophobicContact CD2-CB 3.61Å; F318-N339 HydrophobicContact CE1-CB 4.41Å; F318-N339 HydrophobicContact CE2-CB 3.5Å; F318-N339 VanDerWaalsContact CE2-CB 3.5Å; F318-N339 HydrophobicContact CG-CB 4.09Å; F318-N339 HydrophobicContact CZ-CB 3.92Å; F318-N339 PolarHBondContact N-ND2 2.75Å; S322-N339 PolarHBondContact OG-ND2 3.42Å; G336-N339 WeakPolarHBondContact O-CB 3.27Å; G336-N339 PolarHBondContact O-N 2.87Å; V337-N339 VanDerWaalsContact C-N 3.26Å; V337-N339 PolarHBondContact O-N 3.25Å; N339-M343 HydrophobicContact CB-CE 4.28Å; N339-P344 WeakPolarHBondContact O-CD 3.34Å; N339-P344 WeakPolarHBondContact O-CG 3.49Å
340L98.8Very high98.6Very high3 Ų317 Ų172%0.0169%0.091CC..Iπ-helixtrans-89-47.7178.4170.653.5000112.7N281 L284 A285 V288 G336 P344N281-L340 HydrophobicContact CB-CD2 4.3Å; N281-L340 WeakPolarHBondContact O-CD1 3.17Å; L284-L340 HydrophobicContact CB-CD1 3.58Å; L284-L340 HydrophobicContact CB-CD2 4.33Å; L284-L340 HydrophobicContact CD1-CD2 4.17Å; A285-L340 HydrophobicContact CB-CD1 4.18Å; V288-L340 HydrophobicContact CG2-CD1 4.16Å; G336-L340 PolarHBondContact O-N 2.93Å; L340-P344 WeakPolarHBondContact O-CB 3.24Å; L340-P344 WeakPolarHBondContact O-CD 3.4Å; L340-P344 WeakPolarHBondContact O-CG 3.43Å
341H98.9Very high98.7Very high7 Ų717.4 Ų17.43%0.0329%0.094CC..Iπ-helixtrans-102.5-42.7-172.5-60-69.6000112.5F72 I134 H182 A186 V337 G345F72-H341 AromaticContact CE1-NE2 3.9Å; I134-H341 HydrophobicContact CD1-CB 4.4Å; I134-H341 HydrophobicContact CG2-CB 3.76Å; H182-H341 HydrophobicContact CB-CB 4.22Å; H182-H341 AromaticContact CE1-ND1 3.76Å; H182-H341 AromaticContact ND1-CE1 3.85Å; H182-H341 AromaticContact ND1-ND1 3.07Å; H182-H341 PolarHBondContact ND1-ND1 3.48Å; A186-H341 HydrophobicContact CB-CB 3.91Å; V337-H341 WeakPolarHBondContact O-CA 3.45Å; V337-H341 WeakPolarHBondContact O-CB 3.44Å; V337-H341 PolarHBondContact O-N 3.42Å; H341-G345 VanDerWaalsContact O-CA 3.23Å; H341-G345 WeakPolarHBondContact O-CA 3.17Å; H341-G345 PolarHBondContact O-N 3.4Å
342G98.9Very high98.7Very high0 Ų016.1 Ų16.10%09%0.088CC..Iπ-helixtrans-68-65.5-173.900000114.2A186 V337 H338 G345 I346A186-G342 VanDerWaalsContact CB-CA 3.42Å; A186-G342 VanDerWaalsContact CB-N 3.34Å; V337-G342 PolarHBondContact O-N 3.47Å; H338-G342 CarbonylContact O-C 3.4Å; H338-G342 WeakPolarHBondContact O-CA 3.32Å; H338-G342 PolarHBondContact O-N 2.96Å; G342-G345 PolarHBondContact O-N 2.91Å; G342-I346 WeakPolarHBondContact O-CG1 3.36Å; G342-I346 PolarHBondContact O-N 3.3Å
343M98.7Very high98.7Very high34 Ų3416.7 Ų16.717%0.1679%0.091CC..Hα-helixtrans-65.5-45.2179.8-63.2-171.4-70.900112.2I313 L321 H338 N339 G345 I346 L347I313-M343 HydrophobicContact CD1-CB 4.27Å; L321-M343 HydrophobicContact CD1-CE 3.77Å; L321-M343 HydrophobicContact CD1-SD 3.47Å; L321-M343 WeakPolarHBondContact CD1-SD 3.49Å; H338-M343 WeakPolarHBondContact NE2-CG 3.33Å; H338-M343 PolarHBondContact O-N 3.39Å; N339-M343 HydrophobicContact CB-CE 4.28Å; M343-G345 VanDerWaalsContact C-N 3.29Å; M343-G345 PolarHBondContact O-N 2.9Å; M343-I346 PolarHBondContact O-N 2.93Å; M343-L347 PolarHBondContact O-N 2.74Å
344P98.9Very high98.7Very high0 Ų019.6 Ų19.60%011%0.109CC..Hα-helixtrans-65.6-31.8175.5-25.740.9000112.6A285 V288 A289 N339 L340 L347 G348A285-P344 HydrophobicContact CB-CB 4.15Å; A285-P344 HydrophobicContact CB-CG 3.77Å; V288-P344 HydrophobicContact CB-CB 4.02Å; V288-P344 HydrophobicContact CG1-CB 3.82Å; A289-P344 WeakPolarHBondContact CA-O 3.36Å; A289-P344 HydrophobicContact CB-CB 4.15Å; N339-P344 WeakPolarHBondContact O-CD 3.34Å; N339-P344 WeakPolarHBondContact O-CG 3.49Å; L340-P344 WeakPolarHBondContact O-CB 3.24Å; L340-P344 WeakPolarHBondContact O-CD 3.4Å; L340-P344 WeakPolarHBondContact O-CG 3.43Å; P344-L347 WeakPolarHBondContact O-CB 3.34Å; P344-L347 PolarHBondContact O-N 3.44Å; P344-G348 PolarHBondContact O-N 3.4Å
345G98.9Very high98.7Very high0 Ų019 Ų190%011%0.106CC..Hα-helixtrans-64.3-43.2173.600000112.6S178 H341 G342 M343 G348 G349S178-G345 VanDerWaalsContact O-CA 3.31Å; S178-G345 WeakPolarHBondContact O-CA 3.11Å; H341-G345 VanDerWaalsContact O-CA 3.23Å; H341-G345 WeakPolarHBondContact O-CA 3.17Å; H341-G345 PolarHBondContact O-N 3.4Å; G342-G345 PolarHBondContact O-N 2.91Å; M343-G345 VanDerWaalsContact C-N 3.29Å; M343-G345 PolarHBondContact O-N 2.9Å; G345-G348 PolarHBondContact O-N 2.83Å; G345-G349 PolarHBondContact O-N 3.41Å
346I98.9Very high98.7Very high46 Ų4619.1 Ų19.124%0.23611%0.107CC..Hα-helixtrans-62.5-44.8171-69178.7000110.9Y187 G342 M343 G348 G349 L350 L377Y187-I346 HydrophobicContact CE2-CD1 3.61Å; Y187-I346 HydrophobicContact CE2-CG1 3.96Å; Y187-I346 WeakPolarHBondContact OH-CD1 3.42Å; G342-I346 WeakPolarHBondContact O-CG1 3.36Å; G342-I346 PolarHBondContact O-N 3.3Å; M343-I346 PolarHBondContact O-N 2.93Å; I346-G348 PolarHBondContact O-N 3.24Å; I346-G349 PolarHBondContact O-N 3.49Å; I346-L350 HydrophobicContact CG2-CD1 3.97Å; I346-L350 HydrophobicContact CG2-CG 4.28Å; I346-L350 VanDerWaalsContact O-CG 3.31Å; I346-L350 WeakPolarHBondContact O-CG 3.42Å; I346-L350 PolarHBondContact O-N 3.17Å; I346-L377 HydrophobicContact CD1-CD1 4.41Å; I346-L377 HydrophobicContact CD1-CD2 4.35Å; I346-L377 HydrophobicContact CG1-CD2 4.38Å
347L98.9Very high98.6Very high38 Ų3822.3 Ų22.320%0.19913%0.133CC..Hα-helixtrans-56.6-41.4175.8175.762.9000111.1A289 V309 A310 I313 M343 P344 L350 A351A289-L347 HydrophobicContact CB-CD2 3.93Å; A289-L347 HydrophobicContact CB-CG 4.25Å; V309-L347 HydrophobicContact CB-CD2 4.29Å; V309-L347 HydrophobicContact CG1-CD1 4.4Å; V309-L347 HydrophobicContact CG1-CD2 3.89Å; A310-L347 HydrophobicContact CB-CD2 4.06Å; I313-L347 HydrophobicContact CD1-CB 4.31Å; I313-L347 HydrophobicContact CD1-CD2 3.88Å; M343-L347 PolarHBondContact O-N 2.74Å; P344-L347 WeakPolarHBondContact O-CB 3.34Å; P344-L347 PolarHBondContact O-N 3.44Å; L347-L350 PolarHBondContact O-N 3.19Å; L347-A351 WeakPolarHBondContact O-CB 3.35Å; L347-A351 PolarHBondContact O-N 3.37Å
348G98.8Very high98.5Very high0 Ų027.7 Ų27.70%016%0.161CC..Hα-helixtrans-66.1-44.2176.300000113.7A289 T292 P344 G345 I346 L350 A351 G352A289-G348 WeakPolarHBondContact O-CA 3.35Å; T292-G348 WeakPolarHBondContact CB-O 3.33Å; P344-G348 PolarHBondContact O-N 3.4Å; G345-G348 PolarHBondContact O-N 2.83Å; I346-G348 PolarHBondContact O-N 3.24Å; G348-L350 VanDerWaalsContact C-N 3.32Å; G348-L350 PolarHBondContact O-N 3.37Å; G348-A351 PolarHBondContact O-N 3.46Å; G348-G352 PolarHBondContact O-N 3.08Å
349G98.7Very high98.4Very high0 Ų029.5 Ų29.50%019%0.185CC..Hα-helixtrans-58.3-43.7172.200000112.3G345 I346 G352 I353G345-G349 PolarHBondContact O-N 3.41Å; I346-G349 PolarHBondContact O-N 3.49Å; G349-G352 PolarHBondContact O-N 2.98Å; G349-I353 VanDerWaalsContact O-CG1 3.26Å; G349-I353 WeakPolarHBondContact O-CG1 3.36Å; G349-I353 PolarHBondContact O-N 3.07Å
350L98.8Very high98.3Very high89 Ų8933.1 Ų33.147%0.46620%0.201SC..Hα-helixtrans-64.6-42.4175.5-67.3175000112.4I346 L347 G348 G352 I353 V354 L373I346-L350 HydrophobicContact CG2-CD1 3.97Å; I346-L350 HydrophobicContact CG2-CG 4.28Å; I346-L350 VanDerWaalsContact O-CG 3.31Å; I346-L350 WeakPolarHBondContact O-CG 3.42Å; I346-L350 PolarHBondContact O-N 3.17Å; L347-L350 PolarHBondContact O-N 3.19Å; G348-L350 VanDerWaalsContact C-N 3.32Å; G348-L350 PolarHBondContact O-N 3.37Å; L350-G352 VanDerWaalsContact C-N 3.31Å; L350-G352 PolarHBondContact O-N 3.07Å; L350-I353 HydrophobicContact CD2-CD1 4.26Å; L350-I353 PolarHBondContact O-N 3.13Å; L350-V354 WeakPolarHBondContact O-CG2 3.4Å; L350-V354 PolarHBondContact O-N 2.92Å; L350-L373 HydrophobicContact CD2-CD2 4.43Å
351A98.6Very high97.9Very high18 Ų1834 Ų3415%0.14921%0.209CC..Hα-helixtrans-61.9-40.6174.900000111.3I306 L347 G348 V354 A355I306-A351 HydrophobicContact CD1-CB 3.86Å; I306-A351 HydrophobicContact CG1-CB 4.31Å; L347-A351 WeakPolarHBondContact O-CB 3.35Å; L347-A351 PolarHBondContact O-N 3.37Å; G348-A351 PolarHBondContact O-N 3.46Å; A351-V354 PolarHBondContact O-N 3.28Å; A351-A355 VanDerWaalsContact O-CB 3.27Å; A351-A355 WeakPolarHBondContact O-CB 3.37Å; A351-A355 PolarHBondContact O-N 3.38Å
352G98.4Very high97.2Very high0 Ų041.1 Ų41.10%025%0.247CC..Hα-helixtrans-61.6-45.1173.100000113.4G348 G349 L350 V354 A355 V356G348-G352 PolarHBondContact O-N 3.08Å; G349-G352 PolarHBondContact O-N 2.98Å; L350-G352 VanDerWaalsContact C-N 3.31Å; L350-G352 PolarHBondContact O-N 3.07Å; G352-V354 VanDerWaalsContact C-N 3.33Å; G352-V354 PolarHBondContact O-N 2.91Å; G352-A355 PolarHBondContact O-N 3.03Å; G352-V356 WeakPolarHBondContact O-CB 3.48Å; G352-V356 WeakPolarHBondContact O-CG2 3.32Å; G352-V356 PolarHBondContact O-N 3.4Å
353I98.6Very high96.6Very high32 Ų3248.4 Ų48.416%0.16428%0.279CS..Hα-helixtrans-57.2-47.9174.4-68.4161.4000110.3G349 L350 A357 A366 Q369 A370 L373G349-I353 VanDerWaalsContact O-CG1 3.26Å; G349-I353 WeakPolarHBondContact O-CG1 3.36Å; G349-I353 PolarHBondContact O-N 3.07Å; L350-I353 HydrophobicContact CD2-CD1 4.26Å; L350-I353 PolarHBondContact O-N 3.13Å; I353-A357 VanDerWaalsContact O-CB 3.29Å; I353-A357 WeakPolarHBondContact O-CB 3.21Å; I353-A357 PolarHBondContact O-N 2.95Å; I353-A366 HydrophobicContact CG2-CB 4.14Å; I353-Q369 HydrophobicContact CB-CB 4.39Å; I353-Q369 HydrophobicContact CG1-CB 3.52Å; I353-A370 HydrophobicContact CD1-CB 3.88Å; I353-A370 HydrophobicContact CG1-CB 4.38Å; I353-L373 HydrophobicContact CD1-CD2 4.47Å
354V98.3Very high96.1Very high84 Ų8449 Ų4951%0.50929%0.293SS..Hα-helixtrans-65.8-44.3179.4172.50000111.3L350 A351 G352 V356 A357 L358L350-V354 WeakPolarHBondContact O-CG2 3.4Å; L350-V354 PolarHBondContact O-N 2.92Å; A351-V354 PolarHBondContact O-N 3.28Å; G352-V354 VanDerWaalsContact C-N 3.33Å; G352-V354 PolarHBondContact O-N 2.91Å; V354-V356 PolarHBondContact O-N 3.11Å; V354-A357 PolarHBondContact O-N 2.97Å; V354-L358 HydrophobicContact CG1-CD1 3.8Å; V354-L358 HydrophobicContact CG1-CG 4.33Å; V354-L358 WeakPolarHBondContact O-CB 3.49Å; V354-L358 VanDerWaalsContact O-CG 3.26Å; V354-L358 WeakPolarHBondContact O-CG 3.27Å; V354-L358 PolarHBondContact O-N 3.19Å
355A98.1Very high95.9Very high6 Ų651 Ų515%0.0531%0.307CS..Hα-helixtrans-61.1-45.2179.400000111.6C293 M296 I298 A351 G352 L358 G359 K360C293-A355 HydrophobicContact CB-CB 4.05Å; M296-A355 HydrophobicContact SD-CB 3.54Å; M296-A355 VanDerWaalsContact SD-CB 3.54Å; I298-A355 HydrophobicContact CG2-CB 3.84Å; A351-A355 VanDerWaalsContact O-CB 3.27Å; A351-A355 WeakPolarHBondContact O-CB 3.37Å; A351-A355 PolarHBondContact O-N 3.38Å; G352-A355 PolarHBondContact O-N 3.03Å; A355-L358 PolarHBondContact O-N 3.15Å; A355-G359 PolarHBondContact O-N 3.46Å; A355-K360 HydrophobicContact CB-CB 4.22Å; A355-K360 VanDerWaalsContact O-CB 3.28Å; A355-K360 WeakPolarHBondContact O-CB 3.37Å; A355-K360 WeakPolarHBondContact O-CG 3.37Å; A355-K360 PolarHBondContact O-N 2.84Å
356V97.8Very high95.9Very high16 Ų1652.3 Ų52.310%0.09732%0.318CS..Hα-helixtrans-64-44.7174.7173.20000111.1M296 G352 V354 L358 G359 A361 Q369M296-V356 HydrophobicContact CE-CG2 3.81Å; M296-V356 HydrophobicContact SD-CG2 4.14Å; G352-V356 WeakPolarHBondContact O-CB 3.48Å; G352-V356 WeakPolarHBondContact O-CG2 3.32Å; G352-V356 PolarHBondContact O-N 3.4Å; V354-V356 PolarHBondContact O-N 3.11Å; V356-L358 PolarHBondContact O-N 3.03Å; V356-G359 PolarHBondContact O-N 3.23Å; V356-A361 HydrophobicContact CG2-CB 3.86Å; V356-Q369 HydrophobicContact CB-CG 4.29Å; V356-Q369 HydrophobicContact CG2-CG 3.89Å
357A97.7Very high95.8Very high69 Ų6954.8 Ų54.857%0.5733%0.332SS*.Hα-helixtrans-60.5-29.8177.400000113.3I353 V354 G359 A366I353-A357 VanDerWaalsContact O-CB 3.29Å; I353-A357 WeakPolarHBondContact O-CB 3.21Å; I353-A357 PolarHBondContact O-N 2.95Å; V354-A357 PolarHBondContact O-N 2.97Å; A357-G359 VanDerWaalsContact C-N 3.3Å; A357-A366 HydrophobicContact CB-CB 3.89Å
358L97.2Very high95.8Very high118 Ų11855.9 Ų55.962%0.61834%0.337SS*.THydrogen-bonded Turntrans-887.4176.2-65.9176.4000113.6V354 A355 V356 K360V354-L358 HydrophobicContact CG1-CD1 3.8Å; V354-L358 HydrophobicContact CG1-CG 4.33Å; V354-L358 WeakPolarHBondContact O-CB 3.49Å; V354-L358 VanDerWaalsContact O-CG 3.26Å; V354-L358 WeakPolarHBondContact O-CG 3.27Å; V354-L358 PolarHBondContact O-N 3.19Å; A355-L358 PolarHBondContact O-N 3.15Å; V356-L358 PolarHBondContact O-N 3.03Å; L358-K360 HydrophobicContact CB-CG 4.17Å
359G96.3Very high95.8Very high60 Ų6056 Ų5662%0.61934%0.337SS*.THydrogen-bonded Turntrans66.435.5179.300000113.4A355 V356 A357A355-G359 PolarHBondContact O-N 3.46Å; V356-G359 PolarHBondContact O-N 3.23Å; A357-G359 VanDerWaalsContact C-N 3.3Å
360K95.9Very high95.8Very high76 Ų7658 Ų5833%0.3335%0.353SS..  trans-91.6-9.7178.1-55.9-47.5-168.3-179.80114.2M296 N297 I298 A355 L358M296-K360 HydrophobicContact CB-CB 4.32Å; M296-K360 WeakPolarHBondContact CB-O 3.28Å; N297-K360 PolarHBondContact N-O 2.84Å; N297-K360 WeakPolarHBondContact O-CD 3.5Å; I298-K360 HydrophobicContact CG2-CB 4.44Å; A355-K360 HydrophobicContact CB-CB 4.22Å; A355-K360 VanDerWaalsContact O-CB 3.28Å; A355-K360 WeakPolarHBondContact O-CB 3.37Å; A355-K360 WeakPolarHBondContact O-CG 3.37Å; A355-K360 PolarHBondContact O-N 2.84Å; L358-K360 HydrophobicContact CB-CG 4.17Å
361A91.3Very high95.7Very high21 Ų2155.4 Ų55.417%0.17435%0.345CS..SBendtrans-107.5148.3172.600000109.8M296 V356 K363M296-A361 HydrophobicContact CE-CB 3.95Å; M296-A361 HydrophobicContact CG-CB 3.94Å; M296-A361 HydrophobicContact SD-CB 3.88Å; V356-A361 HydrophobicContact CG2-CB 3.86Å; A361-K363 VanDerWaalsContact C-N 3.28Å; A361-K363 PolarHBondContact O-N 3.38Å
362D83.6Confident95.7Very high156 Ų15654.6 Ų54.683%0.83434%0.338SS*.SBendtrans-71.8-25.4179.4-64.1-33.5000112.7
363K85.5Confident95.8Very high154 Ų15455.2 Ų55.267%0.6734%0.342SS*.SBendtrans-144.7166.4-178.166.6-172.4179.1-171.40112N173 A361N173-K363 PolarHBondContact ND2-O 2.75Å; A361-K363 VanDerWaalsContact C-N 3.28Å; A361-K363 PolarHBondContact O-N 3.38Å
364G88.4Confident95.8Very high45 Ų4556.7 Ų56.746%0.46436%0.358SS..  trans95.4169.4177.500000113.4
365S95.8Very high95.8Very high43 Ų4353.6 Ų53.630%0.30134%0.34SS..  trans-133.3148.7-178.267.70000111.1D367 M368 Q369S365-D367 VanDerWaalsContact C-N 3.26Å; S365-D367 WeakPolarHBondContact CB-OD1 3.3Å; S365-D367 PolarHBondContact O-N 3.4Å; S365-D367 PolarHBondContact OG-OD1 3.14Å; S365-M368 PolarHBondContact O-N 3.16Å; S365-M368 WeakPolarHBondContact OG-CB 3.33Å; S365-M368 WeakPolarHBondContact OG-CG 3.37Å; S365-Q369 WeakPolarHBondContact O-CG 3.33Å; S365-Q369 PolarHBondContact O-N 3.23Å
366A97.5Very high95.8Very high27 Ų2753.3 Ų53.322%0.22334%0.338CS..Hα-helixtrans-64.8-31.9-173.600000112.7I353 A357 A370I353-A366 HydrophobicContact CG2-CB 4.14Å; A357-A366 HydrophobicContact CB-CB 3.89Å; A366-A370 WeakPolarHBondContact O-CB 3.37Å; A366-A370 PolarHBondContact O-N 3.07Å
367D97.9Very high95.9Very high99 Ų9954.4 Ų54.453%0.52934%0.343SS..Hα-helixtrans-68.7-39.6174.160.7-34.7000112.2S365 A370 A371S365-D367 VanDerWaalsContact C-N 3.26Å; S365-D367 WeakPolarHBondContact CB-OD1 3.3Å; S365-D367 PolarHBondContact O-N 3.4Å; S365-D367 PolarHBondContact OG-OD1 3.14Å; D367-A370 PolarHBondContact O-N 3.38Å; D367-A371 WeakPolarHBondContact O-CB 3.41Å; D367-A371 PolarHBondContact O-N 3.03Å
368M98.2Very high95.9Very high61 Ų6152.4 Ų52.430%0.333%0.33SS..Hα-helixtrans-69.7-35.7174.4-68.2-55.6105.100112L170 S365 A370 A371 A372L170-M368 HydrophobicContact CD2-SD 3.88Å; L170-M368 WeakPolarHBondContact O-CB 3.42Å; S365-M368 PolarHBondContact O-N 3.16Å; S365-M368 WeakPolarHBondContact OG-CB 3.33Å; S365-M368 WeakPolarHBondContact OG-CG 3.37Å; M368-A370 VanDerWaalsContact C-N 3.34Å; M368-A370 PolarHBondContact O-N 3.27Å; M368-A371 PolarHBondContact O-N 3.38Å; M368-A372 WeakPolarHBondContact O-CB 3.46Å; M368-A372 PolarHBondContact O-N 2.89Å
369Q98.3Very high96Very high1 Ų150.1 Ų50.11%0.00532%0.315CS..Hα-helixtrans-61.3-42.6170.5-68.2-71.748.500111.8N173 I353 V356 S365 A372 L373N173-Q369 VanDerWaalsContact N-OE1 3.09Å; N173-Q369 PolarHBondContact O-NE2 3.31Å; N173-Q369 PolarHBondContact O-OE1 3.01Å; I353-Q369 HydrophobicContact CB-CB 4.39Å; I353-Q369 HydrophobicContact CG1-CB 3.52Å; V356-Q369 HydrophobicContact CB-CG 4.29Å; V356-Q369 HydrophobicContact CG2-CG 3.89Å; S365-Q369 WeakPolarHBondContact O-CG 3.33Å; S365-Q369 PolarHBondContact O-N 3.23Å; Q369-A372 PolarHBondContact O-N 2.86Å; Q369-L373 PolarHBondContact O-N 3.09Å
370A98.7Very high96.1Very high42 Ų4247.2 Ų47.235%0.34729%0.285SS..Hα-helixtrans-64.9-40.3175.300000112.1I353 A366 D367 M368 A372 L373 A374I353-A370 HydrophobicContact CD1-CB 3.88Å; I353-A370 HydrophobicContact CG1-CB 4.38Å; A366-A370 WeakPolarHBondContact O-CB 3.37Å; A366-A370 PolarHBondContact O-N 3.07Å; D367-A370 PolarHBondContact O-N 3.38Å; M368-A370 VanDerWaalsContact C-N 3.34Å; M368-A370 PolarHBondContact O-N 3.27Å; A370-A372 VanDerWaalsContact C-N 3.33Å; A370-L373 PolarHBondContact O-N 3.47Å; A370-A374 WeakPolarHBondContact O-CB 3.39Å; A370-A374 PolarHBondContact O-N 3.38Å
371A98.6Very high96.3Very high36 Ų3647.7 Ų47.730%0.29829%0.291SS..Hα-helixtrans-62.5-39.4174.500000111.9L170 D367 M368 A374 S375L170-A371 HydrophobicContact CD1-CB 4.05Å; L170-A371 HydrophobicContact CD2-CB 4.26Å; D367-A371 WeakPolarHBondContact O-CB 3.41Å; D367-A371 PolarHBondContact O-N 3.03Å; M368-A371 PolarHBondContact O-N 3.38Å; A371-A374 PolarHBondContact O-N 3.02Å; A371-S375 WeakPolarHBondContact O-CB 3.49Å; A371-S375 PolarHBondContact O-N 2.82Å; A371-S375 PolarHBondContact O-OG 3.37Å
372A98.7Very high96.6Very high0 Ų052 Ų520%031%0.31CS..Hα-helixtrans-67.2-41.4177.500000113.3V166 L170 A172 M179 M368 Q369 A370 S375 S376V166-A372 HydrophobicContact CB-CB 4.35Å; V166-A372 HydrophobicContact CG1-CB 3.71Å; V166-A372 HydrophobicContact CG2-CB 3.94Å; L170-A372 HydrophobicContact CD1-CB 4.13Å; A172-A372 HydrophobicContact CB-CB 3.43Å; A172-A372 VanDerWaalsContact CB-CB 3.43Å; M179-A372 HydrophobicContact CE-CB 3.88Å; M179-A372 HydrophobicContact SD-CB 4.32Å; M368-A372 WeakPolarHBondContact O-CB 3.46Å; M368-A372 PolarHBondContact O-N 2.89Å; Q369-A372 PolarHBondContact O-N 2.86Å; A370-A372 VanDerWaalsContact C-N 3.33Å; A372-S375 PolarHBondContact O-OG 2.92Å; A372-S376 WeakPolarHBondContact O-CB 3.46Å; A372-S376 PolarHBondContact O-N 3.48Å; A372-S376 PolarHBondContact O-OG 3.36Å
373L98.8Very high97.4Very high14 Ų1444.8 Ų44.87%0.07327%0.272CS..Hα-helixtrans-62-46.5172.4-179.857.4000110.6M179 L350 I353 Q369 A370 S376 L377M179-L373 HydrophobicContact CB-CD1 4.35Å; M179-L373 HydrophobicContact CG-CB 4.41Å; M179-L373 HydrophobicContact CG-CD1 4.04Å; M179-L373 HydrophobicContact SD-CB 3.67Å; M179-L373 HydrophobicContact SD-CD1 4.4Å; L350-L373 HydrophobicContact CD2-CD2 4.43Å; I353-L373 HydrophobicContact CD1-CD2 4.47Å; Q369-L373 PolarHBondContact O-N 3.09Å; A370-L373 PolarHBondContact O-N 3.47Å; L373-S376 PolarHBondContact O-N 2.94Å; L373-L377 HydrophobicContact CD1-CD1 4.25Å; L373-L377 HydrophobicContact CD1-CG 4.36Å; L373-L377 HydrophobicContact CG-CD1 4.25Å; L373-L377 VanDerWaalsContact O-CG 3.32Å; L373-L377 WeakPolarHBondContact O-CG 3.34Å; L373-L377 PolarHBondContact O-N 3.31Å
374A98.8Very high98Very high62 Ų6237.4 Ų37.451%0.51224%0.24SC..Hα-helixtrans-63.9-41.2179.400000112.5A370 A371 G378A370-A374 WeakPolarHBondContact O-CB 3.39Å; A370-A374 PolarHBondContact O-N 3.38Å; A371-A374 PolarHBondContact O-N 3.02Å; A374-G378 PolarHBondContact O-N 2.6Å
375S98.6Very high98.5Very high19 Ų1936.9 Ų36.913%0.13323%0.231CC..Hα-helixtrans-63.5-46.1176.470.90000110.7N162 V166 A371 A372 L377 G378 F379N162-S375 PolarHBondContact OD1-OG 3.49Å; V166-S375 VanDerWaalsContact CG2-OG 3.32Å; V166-S375 WeakPolarHBondContact CG2-OG 3.49Å; A371-S375 WeakPolarHBondContact O-CB 3.49Å; A371-S375 PolarHBondContact O-N 2.82Å; A371-S375 PolarHBondContact O-OG 3.37Å; A372-S375 PolarHBondContact O-OG 2.92Å; S375-L377 VanDerWaalsContact C-N 3.34Å; S375-L377 PolarHBondContact O-N 3.14Å; S375-G378 PolarHBondContact O-N 3.19Å; S375-G378 VanDerWaalsContact O-N 3.08Å; S375-F379 WeakPolarHBondContact O-CD2 3.48Å; S375-F379 PolarHBondContact O-N 2.98Å
376S98.9Very high98.6Very high0 Ų039.1 Ų39.10%024%0.239CC..Hα-helixtrans-60.5-44-179.1-58.60000111.5N162 M179 F184 A372 L373 A380N162-S376 PolarHBondContact ND2-OG 3.23Å; N162-S376 WeakPolarHBondContact OD1-CA 3.22Å; N162-S376 PolarHBondContact OD1-N 3.23Å; M179-S376 WeakPolarHBondContact O-CB 3.28Å; F184-S376 WeakPolarHBondContact CD2-O 3.33Å; A372-S376 WeakPolarHBondContact O-CB 3.46Å; A372-S376 PolarHBondContact O-N 3.48Å; A372-S376 PolarHBondContact O-OG 3.36Å; L373-S376 PolarHBondContact O-N 2.94Å; S376-A380 WeakPolarHBondContact O-CB 3.38Å; S376-A380 PolarHBondContact O-N 3.22Å
377L98.9Very high98.7Very high39 Ų3937.9 Ų37.920%0.20423%0.228CC..Hα-helixtrans-64.8-41.7173.7-66.2174.3000112.4A183 Y187 I346 L373 S375 A380 L381A183-L377 HydrophobicContact CB-CD2 4.29Å; Y187-L377 HydrophobicContact CD2-CD2 3.18Å; Y187-L377 HydrophobicContact CE2-CD2 3.54Å; Y187-L377 HydrophobicContact CG-CD2 3.92Å; I346-L377 HydrophobicContact CD1-CD1 4.41Å; I346-L377 HydrophobicContact CD1-CD2 4.35Å; I346-L377 HydrophobicContact CG1-CD2 4.38Å; L373-L377 HydrophobicContact CD1-CD1 4.25Å; L373-L377 HydrophobicContact CD1-CG 4.36Å; L373-L377 HydrophobicContact CG-CD1 4.25Å; L373-L377 VanDerWaalsContact O-CG 3.32Å; L373-L377 WeakPolarHBondContact O-CG 3.34Å; L373-L377 PolarHBondContact O-N 3.31Å; S375-L377 VanDerWaalsContact C-N 3.34Å; S375-L377 PolarHBondContact O-N 3.14Å; L377-A380 PolarHBondContact O-N 2.94Å; L377-L381 WeakPolarHBondContact O-CB 3.34Å; L377-L381 VanDerWaalsContact O-CG 3.28Å; L377-L381 WeakPolarHBondContact O-CG 3.38Å; L377-L381 PolarHBondContact O-N 3.37Å
378G98.8Very high98.7Very high28 Ų2833.1 Ų33.129%0.28920%0.203SC..Hα-helixtrans-63.8-51.3-179.800000113A374 S375 A380 I382A374-G378 PolarHBondContact O-N 2.6Å; S375-G378 PolarHBondContact O-N 3.19Å; S375-G378 VanDerWaalsContact O-N 3.08Å; G378-A380 VanDerWaalsContact C-N 3.33Å; G378-A380 PolarHBondContact O-N 3.3Å; G378-I382 WeakPolarHBondContact O-CB 3.31Å; G378-I382 WeakPolarHBondContact O-CG1 3.37Å; G378-I382 PolarHBondContact O-N 3.37Å; G378-I382 VanDerWaalsContact O-N 3.1Å
379F98.8Very high98.8Very high69 Ų6935.4 Ų35.430%0.30322%0.216SC..Hα-helixtrans-62.4-40.9176.2-84.3-81.4000111.7I158 I161 N162 L165 F184 S375 G383I158-F379 HydrophobicContact CG2-CB 4.21Å; I158-F379 HydrophobicContact CG2-CD1 4Å; I161-F379 HydrophobicContact CG2-CE1 3.83Å; I161-F379 HydrophobicContact CG2-CZ 4Å; N162-F379 HydrophobicContact CB-CB 4.12Å; N162-F379 HydrophobicContact CB-CD2 4.07Å; N162-F379 HydrophobicContact CB-CG 4.07Å; L165-F379 HydrophobicContact CD2-CE2 3.66Å; L165-F379 HydrophobicContact CD2-CZ 4.41Å; F184-F379 HydrophobicContact CD2-CB 4.44Å; F184-F379 HydrophobicContact CE2-CB 3.87Å; S375-F379 WeakPolarHBondContact O-CD2 3.48Å; S375-F379 PolarHBondContact O-N 2.98Å; F379-G383 WeakPolarHBondContact O-CA 3.34Å; F379-G383 PolarHBondContact O-N 3.42Å
380A98.9Very high98.8Very high0 Ų038.1 Ų38.10%023%0.23CC..Hα-helixtrans-60.6-52.1177.500000112.5F184 F188 S376 L377 G378 G384F184-A380 HydrophobicContact CB-CB 4.44Å; F184-A380 HydrophobicContact CD2-CB 3.88Å; F184-A380 HydrophobicContact CE2-CB 4.31Å; F184-A380 HydrophobicContact CG-CB 4.07Å; F184-A380 WeakPolarHBondContact O-CB 3.24Å; F188-A380 WeakPolarHBondContact CA-O 3.28Å; F188-A380 HydrophobicContact CB-CB 4.15Å; S376-A380 WeakPolarHBondContact O-CB 3.38Å; S376-A380 PolarHBondContact O-N 3.22Å; L377-A380 PolarHBondContact O-N 2.94Å; G378-A380 VanDerWaalsContact C-N 3.33Å; G378-A380 PolarHBondContact O-N 3.3Å; A380-G384 WeakPolarHBondContact O-CA 3.33Å; A380-G384 PolarHBondContact O-N 2.86Å
381L98.9Very high98.8Very high85 Ų8536.1 Ų36.145%0.44521%0.213SC..Hα-helixtrans-66-44.7-177.1-70.4170.4000112.3A191 L377 A385A191-L381 HydrophobicContact CB-CD2 4.41Å; L377-L381 WeakPolarHBondContact O-CB 3.34Å; L377-L381 VanDerWaalsContact O-CG 3.28Å; L377-L381 WeakPolarHBondContact O-CG 3.38Å; L377-L381 PolarHBondContact O-N 3.37Å; L381-A385 VanDerWaalsContact O-CB 3.23Å; L381-A385 WeakPolarHBondContact O-CB 3.31Å; L381-A385 PolarHBondContact O-N 2.81Å
382I98.8Very high98.7Very high112 Ų11240 Ų4057%0.57422%0.223SC*.Hα-helixtrans-69.8-48.4-179.9-64.4169.1000110.1G378 A385 I386G378-I382 WeakPolarHBondContact O-CB 3.31Å; G378-I382 WeakPolarHBondContact O-CG1 3.37Å; G378-I382 PolarHBondContact O-N 3.37Å; G378-I382 VanDerWaalsContact O-N 3.1Å; I382-A385 PolarHBondContact O-N 3.37Å; I382-I386 HydrophobicContact CG2-CD1 3.87Å; I382-I386 WeakPolarHBondContact O-CG1 3.29Å; I382-I386 PolarHBondContact O-N 3.01Å
383G98.9Very high98.6Very high4 Ų443.3 Ų43.34%0.04124%0.24CC..Hα-helixtrans-61.9-44.6179.400000112.7F379 I386 T387F379-G383 WeakPolarHBondContact O-CA 3.34Å; F379-G383 PolarHBondContact O-N 3.42Å; G383-I386 PolarHBondContact O-N 3.43Å; G383-T387 VanDerWaalsContact O-CB 3.26Å; G383-T387 WeakPolarHBondContact O-CB 3.44Å; G383-T387 PolarHBondContact O-N 3.13Å; G383-T387 PolarHBondContact O-OG1 3.05Å
384G98.9Very high98.2Very high0 Ų046.7 Ų46.70%026%0.263CS..Hα-helixtrans-66.4-37.8176.900000112.2F188 V192 A380 T387 G388F188-G384 VanDerWaalsContact CD2-N 3.33Å; F188-G384 VanDerWaalsContact CE2-N 3.3Å; V192-G384 WeakPolarHBondContact CG2-O 3.41Å; A380-G384 WeakPolarHBondContact O-CA 3.33Å; A380-G384 PolarHBondContact O-N 2.86Å; G384-T387 PolarHBondContact O-N 3.21Å; G384-G388 PolarHBondContact O-N 2.8Å
385A98.9Very high97.9Very high33 Ų3349 Ų4927%0.27326%0.262SS..Hα-helixtrans-64.8-45.9174.400000112.1V195 L381 I382 G388 L389V195-A385 HydrophobicContact CG2-CB 4.45Å; L381-A385 VanDerWaalsContact O-CB 3.23Å; L381-A385 WeakPolarHBondContact O-CB 3.31Å; L381-A385 PolarHBondContact O-N 2.81Å; I382-A385 PolarHBondContact O-N 3.37Å; A385-G388 PolarHBondContact O-N 3.29Å; A385-L389 VanDerWaalsContact O-CG 3.31Å; A385-L389 WeakPolarHBondContact O-CG 3.1Å; A385-L389 PolarHBondContact O-N 2.94Å
386I98.8Very high97.8Very high90 Ų9050.2 Ų50.246%0.46226%0.264SS..Hα-helixtrans-60.9-47.5176.1-68.5167.1000110.4I382 G383 G388 L389 I390I382-I386 HydrophobicContact CG2-CD1 3.87Å; I382-I386 WeakPolarHBondContact O-CG1 3.29Å; I382-I386 PolarHBondContact O-N 3.01Å; G383-I386 PolarHBondContact O-N 3.43Å; I386-G388 PolarHBondContact O-N 3.08Å; I386-L389 WeakPolarHBondContact O-CB 3.39Å; I386-L389 PolarHBondContact O-N 3.44Å; I386-L389 VanDerWaalsContact O-N 3.16Å; I386-I390 HydrophobicContact CG2-CD1 4.14Å; I386-I390 WeakPolarHBondContact O-CG1 3.35Å; I386-I390 PolarHBondContact O-N 3.42Å
387T98.9Very high97.6Very high1 Ų150.3 Ų50.31%0.00627%0.265CS..Hα-helixtrans-61.6-44178.9-61.70000111.2M151 L154 F188 V192 G383 G384 L389 I390 M391M151-T387 HydrophobicContact CB-CG2 4.27Å; M151-T387 HydrophobicContact CG-CG2 3.96Å; L154-T387 HydrophobicContact CB-CG2 4.32Å; L154-T387 HydrophobicContact CD1-CG2 3.95Å; F188-T387 HydrophobicContact CE1-CG2 4.02Å; F188-T387 HydrophobicContact CZ-CG2 3.92Å; F188-T387 VanDerWaalsContact CZ-OG1 3.29Å; F188-T387 WeakPolarHBondContact CZ-OG1 3.46Å; V192-T387 HydrophobicContact CG2-CG2 4.22Å; G383-T387 VanDerWaalsContact O-CB 3.26Å; G383-T387 WeakPolarHBondContact O-CB 3.44Å; G383-T387 PolarHBondContact O-N 3.13Å; G383-T387 PolarHBondContact O-OG1 3.05Å; G384-T387 PolarHBondContact O-N 3.21Å; T387-L389 VanDerWaalsContact C-N 3.32Å; T387-L389 PolarHBondContact O-N 3.31Å; T387-I390 PolarHBondContact O-N 3.16Å; T387-M391 HydrophobicContact CG2-CG 4.41Å; T387-M391 HydrophobicContact CG2-SD 3.77Å; T387-M391 WeakPolarHBondContact O-CB 3.43Å; T387-M391 WeakPolarHBondContact O-CG 3.39Å; T387-M391 PolarHBondContact O-N 3.29Å
388G98.8Very high97.4Very high0 Ų049.2 Ų49.20%026%0.259CS..Hα-helixtrans-60-39.1174.100000112.9G384 A385 I386 M391 K392G384-G388 PolarHBondContact O-N 2.8Å; A385-G388 PolarHBondContact O-N 3.29Å; I386-G388 PolarHBondContact O-N 3.08Å; G388-M391 PolarHBondContact O-N 2.9Å; G388-K392 WeakPolarHBondContact O-CB 3.44Å; G388-K392 PolarHBondContact O-N 3.13Å
389L98.7Very high97.2Very high109 Ų10948 Ų4857%0.57125%0.245SC*.Hα-helixtrans-64.7-40.8176.2-72.8169.5000111.4V195 A385 I386 T387 K392V195-L389 HydrophobicContact CG1-CD2 3.91Å; V195-L389 HydrophobicContact CG1-CG 4.1Å; A385-L389 VanDerWaalsContact O-CG 3.31Å; A385-L389 WeakPolarHBondContact O-CG 3.1Å; A385-L389 PolarHBondContact O-N 2.94Å; I386-L389 WeakPolarHBondContact O-CB 3.39Å; I386-L389 PolarHBondContact O-N 3.44Å; I386-L389 VanDerWaalsContact O-N 3.16Å; T387-L389 VanDerWaalsContact C-N 3.32Å; T387-L389 PolarHBondContact O-N 3.31Å; L389-K392 PolarHBondContact O-N 3.03Å
390I98.6Very high97Very high58 Ų5845.3 Ų45.330%0.29724%0.235SC..Hα-helixtrans-64.4-47.4174.4-65166.3000110.1I150 L154 I386 T387 K392 I393 W396I150-I390 HydrophobicContact CG2-CG2 4Å; L154-I390 HydrophobicContact CD1-CD1 3.69Å; I386-I390 HydrophobicContact CG2-CD1 4.14Å; I386-I390 WeakPolarHBondContact O-CG1 3.35Å; I386-I390 PolarHBondContact O-N 3.42Å; T387-I390 PolarHBondContact O-N 3.16Å; I390-K392 PolarHBondContact O-N 2.91Å; I390-I393 WeakPolarHBondContact O-CD1 3.48Å; I390-I393 WeakPolarHBondContact O-CG1 3.3Å; I390-I393 PolarHBondContact O-N 3.48Å; I390-W396 HydrophobicContact CG2-CZ2 4.39Å; I390-W396 PolarHBondContact O-NE1 3.46Å
391M98.4Very high96.9Very high0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-66-21.1178.7-70168.575.900113.2T143 Q147 M151 V192 L196 T387 G388 I393 W396T143-M391 HydrophobicContact CG2-CE 3.87Å; Q147-M391 HydrophobicContact CB-CE 3.72Å; Q147-M391 HydrophobicContact CB-CG 4.31Å; Q147-M391 PolarHBondContact NE2-O 3.49Å; M151-M391 HydrophobicContact CB-CE 4.14Å; M151-M391 HydrophobicContact CB-SD 3.85Å; M151-M391 HydrophobicContact CG-CE 4.49Å; M151-M391 HydrophobicContact CG-SD 4.06Å; M151-M391 HydrophobicContact SD-CE 4.14Å; M151-M391 HydrophobicContact SD-SD 4.28Å; V192-M391 HydrophobicContact CG1-CE 4.01Å; V192-M391 HydrophobicContact CG1-SD 3.66Å; L196-M391 HydrophobicContact CD1-CB 4.12Å; L196-M391 HydrophobicContact CD1-CE 3.98Å; L196-M391 HydrophobicContact CD2-CB 4.16Å; T387-M391 HydrophobicContact CG2-CG 4.41Å; T387-M391 HydrophobicContact CG2-SD 3.77Å; T387-M391 WeakPolarHBondContact O-CB 3.43Å; T387-M391 WeakPolarHBondContact O-CG 3.39Å; T387-M391 PolarHBondContact O-N 3.29Å; G388-M391 PolarHBondContact O-N 2.9Å; M391-I393 PolarHBondContact O-N 2.82Å; M391-W396 VanDerWaalsContact O-CD1 3.25Å
392K97.2Very high96.7Very high117 Ų11749.3 Ų49.351%0.50925%0.253SS..THydrogen-bonded Turntrans-72.3-16.8-179.7-166.5166.9-172.5158.70113.4V195 L196 G388 L389 I390V195-K392 HydrophobicContact CG1-CD 4.11Å; V195-K392 PolarHBondContact O-NZ 3.22Å; L196-K392 HydrophobicContact CD2-CB 3.81Å; L196-K392 HydrophobicContact CD2-CG 4.28Å; G388-K392 WeakPolarHBondContact O-CB 3.44Å; G388-K392 PolarHBondContact O-N 3.13Å; L389-K392 PolarHBondContact O-N 3.03Å; I390-K392 PolarHBondContact O-N 2.91Å
393I95.9Very high96.5Very high69 Ų6946.7 Ų46.735%0.35424%0.24SC..SBendtrans-63133.9-176.2-51167.1000109.9I390 M391 F395 W396 Q398I390-I393 WeakPolarHBondContact O-CD1 3.48Å; I390-I393 WeakPolarHBondContact O-CG1 3.3Å; I390-I393 PolarHBondContact O-N 3.48Å; M391-I393 PolarHBondContact O-N 2.82Å; I393-F395 HydrophobicContact CB-CD1 4.36Å; I393-F395 HydrophobicContact CB-CE1 4.1Å; I393-F395 HydrophobicContact CG2-CD1 3.41Å; I393-F395 VanDerWaalsContact CG2-CD1 3.41Å; I393-F395 HydrophobicContact CG2-CE1 3.22Å; I393-F395 HydrophobicContact CG2-CZ 4.2Å; I393-F395 PolarHBondContact O-N 3.1Å; I393-W396 HydrophobicContact CD1-CZ2 4.42Å; I393-Q398 PolarHBondContact O-NE2 2.99Å; I393-Q398 VanDerWaalsContact O-NE2 3.09Å
394P91.8Very high96.5Very high86 Ų8646.5 Ų46.556%0.55824%0.238SC*.THydrogen-bonded Turntrans-8023.4-162.832.2-38.3000116
395F92.4Very high96.4Very high110 Ų11046.7 Ų46.748%0.48224%0.238SC..THydrogen-bonded Turntrans-116.6-3.5-179.165.3-106.5000114.7K11 I393 G397K11-F395 WeakPolarHBondContact CD-O 3.36Å; K11-F395 WeakPolarHBondContact CE-O 3.46Å; K11-F395 PolarHBondContact NZ-O 3.41Å; I393-F395 HydrophobicContact CB-CD1 4.36Å; I393-F395 HydrophobicContact CB-CE1 4.1Å; I393-F395 HydrophobicContact CG2-CD1 3.41Å; I393-F395 VanDerWaalsContact CG2-CD1 3.41Å; I393-F395 HydrophobicContact CG2-CE1 3.22Å; I393-F395 HydrophobicContact CG2-CZ 4.2Å; I393-F395 PolarHBondContact O-N 3.1Å; F395-G397 PolarHBondContact O-N 2.68Å; F395-G397 VanDerWaalsContact O-N 3.15Å
396W95.4Very high96.4Very high44 Ų4446.6 Ų46.617%0.16723%0.233CC..SBendtrans-74-1179.5-50.5122.4000114.3S144 V146 Q147 I150 I390 M391 I393 Q398S144-W396 PolarHBondContact OG-O 2.82Å; V146-W396 HydrophobicContact CG1-CB 4.24Å; V146-W396 HydrophobicContact CG1-CD2 4.45Å; V146-W396 HydrophobicContact CG1-CE3 3.68Å; V146-W396 HydrophobicContact CG1-CZ3 4.43Å; Q147-W396 HydrophobicContact CG-CB 3.42Å; Q147-W396 VanDerWaalsContact CG-CB 3.42Å; Q147-W396 HydrophobicContact CG-CG 3.96Å; I150-W396 HydrophobicContact CD1-CD2 3.74Å; I150-W396 HydrophobicContact CD1-CE3 3.48Å; I150-W396 VanDerWaalsContact CD1-CE3 3.48Å; I150-W396 HydrophobicContact CD1-CH2 3.66Å; I150-W396 HydrophobicContact CD1-CZ2 3.94Å; I150-W396 HydrophobicContact CD1-CZ3 3.41Å; I150-W396 VanDerWaalsContact CD1-CZ3 3.41Å; I390-W396 HydrophobicContact CG2-CZ2 4.39Å; I390-W396 PolarHBondContact O-NE1 3.46Å; M391-W396 VanDerWaalsContact O-CD1 3.25Å; I393-W396 HydrophobicContact CD1-CZ2 4.42Å; W396-Q398 VanDerWaalsContact C-N 3.33Å
397G94.4Very high96.3Very high2 Ų242.9 Ų42.92%0.02121%0.214CC..  trans72.527.3176.800000113.4S5 M8 F395 Y410S5-G397 WeakPolarHBondContact O-CA 3.43Å; M8-G397 WeakPolarHBondContact CE-O 3.25Å; F395-G397 PolarHBondContact O-N 2.68Å; F395-G397 VanDerWaalsContact O-N 3.15Å; G397-Y410 PolarHBondContact O-OH 2.98Å
398Q94.8Very high96.2Very high17 Ų1745.9 Ų45.98%0.07924%0.235CC..PPolyproline II helixtrans-53149.4170.959.5-9356.400112.3I393 W396I393-Q398 PolarHBondContact O-NE2 2.99Å; I393-Q398 VanDerWaalsContact O-NE2 3.09Å; W396-Q398 VanDerWaalsContact C-N 3.33Å
399P95.1Very high96Very high2 Ų247.7 Ų47.71%0.01325%0.245CC..PPolyproline II helixtrans-65.4147.2175.428.3-33.3000110.5K142 R198 L409 Y410K142-P399 WeakPolarHBondContact O-CD 3.42Å; K142-P399 WeakPolarHBondContact O-CG 3.5Å; R198-P399 VanDerWaalsContact CZ-O 3.26Å; R198-P399 PolarHBondContact NH1-O 3.28Å; R198-P399 PolarHBondContact NH2-O 3.25Å; P399-L409 HydrophobicContact CB-CD2 3.51Å; P399-Y410 WeakPolarHBondContact CD-OH 3.33Å
400P94.6Very high95.9Very high13 Ų1344.6 Ų44.68%0.08423%0.226CC..PPolyproline II helixtrans-67.3160.3157.933.7-36.5000110.2Y4 Q402 N403Y4-P400 HydrophobicContact CD1-CB 3.91Å; Y4-P400 HydrophobicContact CE1-CB 4.19Å; Y4-P400 HydrophobicContact CG-CB 4.1Å; P400-Q402 VanDerWaalsContact C-N 3.27Å; P400-Q402 VanDerWaalsContact CG-NE2 3.29Å; P400-Q402 PolarHBondContact O-N 2.71Å; P400-N403 HydrophobicContact CG-CB 3.98Å; P400-N403 WeakPolarHBondContact CG-OD1 3.48Å; P400-N403 PolarHBondContact O-N 3.32Å
401D96.2Very high95.8Very high34 Ų3446.3 Ų46.318%0.18223%0.229CC..G310 helixtrans-57.3-38.2-171.5-71.53.3000112.8R198 G200 L201 N403 C404R198-D401 WeakPolarHBondContact CD-OD1 3.48Å; R198-D401 WeakPolarHBondContact CG-OD1 3.28Å; R198-D401 IonicContact CZ-OD1 3.54Å; R198-D401 IonicContact NE-OD1 2.84Å; R198-D401 IonicContact NH1-OD1 3.58Å; R198-D401 PolarHBondContact NH1-OD1 2.95Å; G200-D401 VanDerWaalsContact CA-OD2 3.23Å; G200-D401 WeakPolarHBondContact CA-OD2 3.46Å; G200-D401 PolarHBondContact N-OD2 3.46Å; L201-D401 HydrophobicContact CD2-CB 4.34Å; L201-D401 WeakPolarHBondContact CD2-O 3.4Å; D401-N403 PolarHBondContact O-N 2.83Å; D401-C404 PolarHBondContact O-N 3.28Å
402Q95Very high95.7Very high135 Ų13555.3 Ų55.363%0.63127%0.271SS*.G310 helixtrans-73.2-7.318073.4-77.6-9.500115.3P400P400-Q402 VanDerWaalsContact C-N 3.27Å; P400-Q402 VanDerWaalsContact CG-NE2 3.29Å; P400-Q402 PolarHBondContact O-N 2.71Å
403N95.4Very high95.5Very high57 Ų5753 Ų5331%0.30527%0.266SS..G310 helixtrans-118.219.7179.1-67.492.7000111.5P400 D401P400-N403 HydrophobicContact CG-CB 3.98Å; P400-N403 WeakPolarHBondContact CG-OD1 3.48Å; P400-N403 PolarHBondContact O-N 3.32Å; D401-N403 PolarHBondContact O-N 2.83Å
404C97.9Very high95.2Very high0 Ų054.3 Ų54.30%028%0.279CS..THydrogen-bonded Turntrans-71.6155.3171.8-68.50000110.6G141 L201 H205 D401 D406G141-C404 CarbonylContact O-C 3.45Å; G141-C404 WeakPolarHBondContact O-CA 3.4Å; G141-C404 WeakPolarHBondContact O-CB 3.19Å; L201-C404 HydrophobicContact CD1-CB 4.3Å; L201-C404 HydrophobicContact CD2-CB 4.31Å; H205-C404 PolarHBondContact CE1-O 2.82Å; D401-C404 PolarHBondContact O-N 3.28Å; C404-D406 VanDerWaalsContact C-N 3.27Å; C404-D406 PolarHBondContact O-N 2.89Å
405F98.1Very high94.5Very high3 Ų357.7 Ų57.71%0.01329%0.291CS..THydrogen-bonded Turntrans58.135.3177.7-37.3-85.4000113.5L79 K81 Y82 L140 G141 K142 L201 H205 N207 D208 T334L79-F405 HydrophobicContact CD1-CD1 3.88Å; L79-F405 HydrophobicContact CD2-CD1 4.12Å; K81-F405 CarbonylContact C-O 3.48Å; K81-F405 WeakPolarHBondContact CB-O 3.18Å; Y82-F405 VanDerWaalsContact CD2-C 3.49Å; L140-F405 WeakPolarHBondContact O-CE1 3.45Å; G141-F405 PolarHBondContact O-N 3.48Å; K142-F405 HydrophobicContact CD-CE1 4.48Å; K142-F405 HydrophobicContact CD-CZ 4.1Å; K142-F405 HydrophobicContact CG-CE1 4.13Å; K142-F405 HydrophobicContact CG-CZ 3.87Å; L201-F405 HydrophobicContact CD1-CE2 4.04Å; L201-F405 HydrophobicContact CD1-CZ 4.25Å; L201-F405 HydrophobicContact CD2-CE2 4.36Å; H205-F405 HydrophobicContact CB-CD2 4.01Å; H205-F405 HydrophobicContact CB-CE2 3.82Å; H205-F405 AromaticContact CG-CD2 3.82Å; H205-F405 AromaticContact ND1-CD2 3.62Å; N207-F405 HydrophobicContact CB-CB 3.8Å; N207-F405 WeakPolarHBondContact CB-O 3.43Å; D208-F405 HydrophobicContact CB-CD1 4.5Å; D208-F405 HydrophobicContact CB-CD2 3.98Å; D208-F405 HydrophobicContact CB-CE1 4.37Å; D208-F405 HydrophobicContact CB-CE2 3.83Å; D208-F405 HydrophobicContact CB-CG 4.32Å; D208-F405 HydrophobicContact CB-CZ 4.03Å; T334-F405 HydrophobicContact CG2-CD1 4.38Å; T334-F405 HydrophobicContact CG2-CE1 3.84Å
406D97.5Very high93.3Very high31 Ų3158.3 Ų58.317%0.16630%0.304CS..  trans-131.5118.2-179-161.5-41.3000111.9K81 C404 S408K81-D406 CarbonylContact O-C 3.49Å; K81-D406 WeakPolarHBondContact O-CA 3.4Å; C404-D406 VanDerWaalsContact C-N 3.27Å; C404-D406 PolarHBondContact O-N 2.89Å; D406-S408 VanDerWaalsContact C-N 3.31Å; D406-S408 VanDerWaalsContact CG-OG 3.31Å; D406-S408 PolarHBondContact O-N 3.44Å; D406-S408 VanDerWaalsContact OD1-CB 3.28Å; D406-S408 WeakPolarHBondContact OD1-CB 3.19Å; D406-S408 PolarHBondContact OD1-N 3.31Å; D406-S408 PolarHBondContact OD1-OG 3.04Å
407D97.8Very high91Very high12 Ų1264.3 Ų64.36%0.06433%0.334CS..G310 helixtrans-65.3-30.8179-78.9-34.9000113.1K81 Y82 G83 F84 S85 L409 Y410 W411 V413K81-D407 PolarHBondContact O-N 2.75Å; Y82-D407 WeakPolarHBondContact CA-OD1 3.48Å; Y82-D407 VanDerWaalsContact CA-OD2 3.27Å; Y82-D407 WeakPolarHBondContact CA-OD2 3.47Å; G83-D407 PolarHBondContact N-OD2 3.24Å; F84-D407 HydrophobicContact CB-CB 4.35Å; F84-D407 PolarHBondContact N-OD2 3.3Å; S85-D407 WeakPolarHBondContact CB-OD1 3.46Å; S85-D407 PolarHBondContact N-OD1 2.81Å; S85-D407 PolarHBondContact OG-OD1 2.84Å; D407-L409 PolarHBondContact O-N 3.21Å; D407-Y410 PolarHBondContact O-N 2.8Å; D407-W411 WeakPolarHBondContact O-CB 3.32Å; D407-W411 VanDerWaalsContact O-CD1 3.32Å; D407-W411 PolarHBondContact O-N 3.16Å; D407-V413 HydrophobicContact CB-CG1 4.17Å
408S96.1Very high88.8Confident64 Ų6473 Ų7345%0.44837%0.374SS..G310 helixtrans-61.1-14.4-17666.90000113.6D406D406-S408 VanDerWaalsContact C-N 3.31Å; D406-S408 VanDerWaalsContact CG-OG 3.31Å; D406-S408 PolarHBondContact O-N 3.44Å; D406-S408 VanDerWaalsContact OD1-CB 3.28Å; D406-S408 WeakPolarHBondContact OD1-CB 3.19Å; D406-S408 PolarHBondContact OD1-N 3.31Å; D406-S408 PolarHBondContact OD1-OG 3.04Å
409L94.6Very high86.3Confident39 Ų3980.6 Ų80.620%0.20441%0.409CS..G310 helixtrans-73.1-31.6176.7-164.766.2000113.5T6 P399 D407T6-L409 HydrophobicContact CG2-CD1 3.99Å; T6-L409 HydrophobicContact CG2-CD2 3.96Å; T6-L409 HydrophobicContact CG2-CG 4.22Å; P399-L409 HydrophobicContact CB-CD2 3.51Å; D407-L409 PolarHBondContact O-N 3.21Å
410Y96.6Very high83.7Confident44 Ų4486.8 Ų86.817%0.17344%0.442CS..THydrogen-bonded Turntrans-125.2-7.8-174.6-56.5-51.3000114M8 S144 P145 G397 P399 D407M8-Y410 HydrophobicContact CE-CD1 4.2Å; M8-Y410 HydrophobicContact CE-CE1 3.46Å; M8-Y410 VanDerWaalsContact CE-CE1 3.46Å; M8-Y410 HydrophobicContact CG-CD1 3.92Å; M8-Y410 HydrophobicContact CG-CE1 4.1Å; S144-Y410 WeakPolarHBondContact CB-OH 3.08Å; P145-Y410 HydrophobicContact CG-CG 4.5Å; G397-Y410 PolarHBondContact O-OH 2.98Å; P399-Y410 WeakPolarHBondContact CD-OH 3.33Å; D407-Y410 PolarHBondContact O-N 2.8Å
411W97.3Very high81.2Confident93 Ų9395.6 Ų95.635%0.35248%0.482SS..SBendtrans-124.5144.4-177-60.392000111.4F84 S85 I89 D407 V413F84-W411 HydrophobicContact CB-CD2 3.9Å; F84-W411 HydrophobicContact CB-CE3 4.46Å; F84-W411 HydrophobicContact CB-CG 3.98Å; F84-W411 HydrophobicContact CB-CZ2 4.46Å; F84-W411 HydrophobicContact CD2-CB 4.01Å; F84-W411 HydrophobicContact CD2-CD2 4.32Å; F84-W411 HydrophobicContact CD2-CE3 4.49Å; F84-W411 HydrophobicContact CD2-CG 4.11Å; F84-W411 WeakPolarHBondContact O-CZ2 3.27Å; S85-W411 PolarHBondContact OG-NE1 2.95Å; I89-W411 HydrophobicContact CG1-CZ2 4.48Å; D407-W411 WeakPolarHBondContact O-CB 3.32Å; D407-W411 VanDerWaalsContact O-CD1 3.32Å; D407-W411 PolarHBondContact O-N 3.16Å; W411-V413 HydrophobicContact CB-CG1 4.39Å; W411-V413 PolarHBondContact O-N 3.34Å
412E96Very high78.7Confident190 Ų19097 Ų9789%0.88851%0.505SS*.  trans-72.3102.5161.1-63.7-64.8164.300107.7
413V93Very high76Confident67 Ų6794.6 Ų94.641%0.40650%0.503SS..PPolyproline II helixtrans-85.8140-178.7-66.80000110.6D407 W411 I415D407-V413 HydrophobicContact CB-CG1 4.17Å; W411-V413 HydrophobicContact CB-CG1 4.39Å; W411-V413 PolarHBondContact O-N 3.34Å; V413-I415 PolarHBondContact O-N 2.9Å
414P88.6Confident73.4Confident97 Ų97100.1 Ų100.163%0.6353%0.529SS*.PPolyproline II helixtrans-56.3131.3175.2-24.533.5000111.2F84 V416F84-P414 HydrophobicContact CZ-CG 4.41Å; P414-V416 PolarHBondContact O-N 3.4Å
415I77.7Confident70.7Confident157 Ų157104.1 Ų104.181%0.80556%0.562SS**PPolyproline II helixtrans-69.6116.6172.1-57.1172.6000106.7V413 E417V413-I415 PolarHBondContact O-N 2.9Å; I415-E417 PolarHBondContact O-N 2.83Å
416V67.8Low67.9Low124 Ų124107.9 Ų107.975%0.75259%0.594SS**  trans-74.7104.5164.8-174.90000105.6P414 E418P414-V416 PolarHBondContact O-N 3.4Å; V416-E418 PolarHBondContact O-N 3.31Å
417E47.2Very low65.1Low170 Ų170109.3 Ų109.379%0.79462%0.616SS**  trans-61.9105.5163.4-73.5-175170.300106.3I415 E419I415-E417 PolarHBondContact O-N 2.83Å; E417-E419 VanDerWaalsContact C-N 3.31Å; E417-E419 PolarHBondContact O-N 2.95Å
418E47.1Very low62.3Low183 Ų183117.1 Ų117.186%0.85565%0.652SS**  trans-60.799.7167.1-75.1-177.6171.400107.1V416 N420V416-E418 PolarHBondContact O-N 3.31Å; E418-N420 PolarHBondContact O-N 3.23Å
419E42.7Very low59.7Low178 Ų178121.8 Ų121.883%0.83267%0.672SS**  trans-61.390.3167.6-79-172.8155.800108.7E417 E421E417-E419 VanDerWaalsContact C-N 3.31Å; E417-E419 PolarHBondContact O-N 2.95Å; E419-E421 PolarHBondContact O-N 3.39Å
420N40.9Very low57.1Low132 Ų132125 Ų12571%0.70670%0.698SS**  trans27.158.1147.1-85.5-31.4000117.4E418 G422 S423E418-N420 PolarHBondContact O-N 3.23Å; N420-G422 PolarHBondContact O-N 3.08Å; N420-G422 VanDerWaalsContact O-N 3.16Å; N420-S423 PolarHBondContact O-N 3.41Å
421E42.6Very low54.5Low197 Ų197132 Ų13292%0.92173%0.729SS**THydrogen-bonded Turntrans-68.5-5.5163.9-74-165.3159.200112.4E419E419-E421 PolarHBondContact O-N 3.39Å
422G41.8Very low51.8Low64 Ų64135.2 Ų135.266%0.6675%0.753SS**THydrogen-bonded Turntrans-85.2-10.5175.200000116.3N420N420-G422 PolarHBondContact O-N 3.08Å; N420-G422 VanDerWaalsContact O-N 3.16Å
423S40.1Very low49.3Very low85 Ų85135.9 Ų135.959%0.59475%0.753SS**SBendtrans-94.4-10.6-170.6-171.80000115.4N420N420-S423 PolarHBondContact O-N 3.41Å
424M40.1Very low46.9Very low173 Ų173139.2 Ų139.285%0.85277%0.774SS**SBendtrans-98-12.8-179.5-68.3-158.9-116.900114.6
425A40Very low44.7Very low83 Ų83144.3 Ų144.369%0.68679%0.789SS**SBendtrans-86.1-12.7176.600000114.2
426A40.5Very low42.6Very low82 Ų82145.3 Ų145.368%0.67882%0.821SS**SBendtrans-88.7-8.4179.500000113.9
427G38.8Very low41.3Very low61 Ų61146.4 Ų146.463%0.62982%0.824SS**SBendtrans-88.1-16.5-175.600000116
428E39.7Very low41Very low177 Ų177145.2 Ų145.283%0.82783%0.826SS**SBendtrans-101.9-9.6-172.8-75.9-170.4149.300115.2
429N39.6Very low40.7Very low161 Ų161143.1 Ų143.186%0.86182%0.824SS**SBendtrans-99.99.9-177.4-90.9-20.6000116
430S41.4Very low40.5Very low107 Ų107141 Ų14175%0.74882%0.824SS**SBendtrans-113.19.1-178-169.70000115.8
431K41.4Very low40.5Very low190 Ų190141.6 Ų141.683%0.82683%0.831SS**SBendtrans-113.12.3-176.9-84-170.8177.2179.10118.1
432N40.3Very low40.4Very low162 Ų162137.9 Ų137.987%0.86683%0.825SS**SBendtrans-12548.3-179.7-81.5-7.7000114.7
433K44.7Very low40.3Very low203 Ų203143.1 Ų143.188%0.88384%0.837SS**  trans-144.272.6162.9-79.3-165.1178178.10112.3
434T41.5Very low40.3Very low137 Ų137147.6 Ų147.684%0.8486%0.856SS**  trans-164.291.2149.730.80000107.5
435E41.7Very low40.3Very low205 Ų205145.5 Ų145.596%0.95886%0.856SS**  trans-176.287.5150.7-103.9175.2-158.400108
436A34Very low40.3Very low178 Ų178151.2 Ų151.2100%1.47187%0.872SS**  trans-172.70151.700000108.6

Retrieved 436 of 436 residues in 430 ms (Link to these results)

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