A0A087YM30_POEFO Loading...

Cyclin-I

Essential for the control of the cell cycle at the G2/M (mitosis) transition.

AlphaFold DB , UniProt , Accession A0A087YM30, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 376 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
1M33.4Very low51.9Low195 Ų195129.5 Ų129.596%0.96162%0.621SS**  0140.50-87.9-178.8170.700107.4F3 E343M1-F3 PolarHBondContact O-N 3.09Å; M1-E343 VanDerWaalsContact N-CD 3.31Å; M1-E343 PolarHBondContact N-OE1 3.16Å; M1-E343 PolarHBondContact N-OE2 2.88Å
2K32.7Very low54.6Low200 Ų200119.8 Ų119.887%0.8758%0.575SS**  trans-57.2101.7-177.1-72.3173.2176.9173.80111.4A4K2-A4 PolarHBondContact O-N 3.06Å
3F38.2Very low57Low126 Ų126114.8 Ų114.855%0.55356%0.561SS**  trans-72.541.6170.5-79.1-72.7000112.9M1 Q5 E343M1-F3 PolarHBondContact O-N 3.09Å; F3-Q5 PolarHBondContact O-N 3.48Å; F3-E343 VanDerWaalsContact CD2-OE2 3.31Å; F3-E343 WeakPolarHBondContact CD2-OE2 3.45Å; F3-E343 HydrophobicContact CE2-CG 4.03Å; F3-E343 WeakPolarHBondContact CE2-OE1 3.41Å
4A37.5Very low59.1Low93 Ų93114.6 Ų114.677%0.76956%0.555SS**  trans-87.431.8169.700000111.5K2K2-A4 PolarHBondContact O-N 3.06Å
5Q40.7Very low61Low122 Ų122107.1 Ų107.157%0.5752%0.519SS*.SBendtrans-100.3138.6177.9-78.2-77.7-18.600110.4F3 W7 G8F3-Q5 PolarHBondContact O-N 3.48Å; Q5-W7 PolarHBondContact O-N 2.92Å; Q5-G8 PolarHBondContact O-N 3.34Å
6P49.2Very low62.7Low79 Ų79100.8 Ų100.851%0.51349%0.489SS..Hα-helixtrans-54.3-24.2-17912.1-24.4000114.5G8 R9 Q10P6-G8 VanDerWaalsContact C-N 3.3Å; P6-G8 PolarHBondContact O-N 3.16Å; P6-R9 PolarHBondContact O-N 2.91Å; P6-Q10 PolarHBondContact O-N 3.15Å
7W42.5Very low64.2Low196 Ų196102.3 Ų102.374%0.74250%0.495SS*.Hα-helixtrans-61.3-31.7176.1-61.485.6000113.7Q5 R11Q5-W7 PolarHBondContact O-N 2.92Å; W7-R11 WeakPolarHBondContact O-CB 3.39Å; W7-R11 PolarHBondContact O-N 3.24Å
8G64.5Low65.5Low28 Ų2899.4 Ų99.429%0.28948%0.479SS..Hα-helixtrans-67.2-44.3177.900000112.5Q5 P6 R11 L12Q5-G8 PolarHBondContact O-N 3.34Å; P6-G8 VanDerWaalsContact C-N 3.3Å; P6-G8 PolarHBondContact O-N 3.16Å; G8-R11 PolarHBondContact O-N 2.9Å; G8-L12 VanDerWaalsContact O-CG 3.28Å; G8-L12 WeakPolarHBondContact O-CG 3.46Å; G8-L12 PolarHBondContact O-N 3.45Å
9R71.7Confident66.5Low152 Ų15294.2 Ų94.257%0.57445%0.454SS*.Hα-helixtrans-68.1-43.1177.9-78.9-174.9-166.5-1641.4112.3P6 R11 L12 S13 A162P6-R9 PolarHBondContact O-N 2.91Å; R9-R11 VanDerWaalsContact C-N 3.32Å; R9-L12 PolarHBondContact O-N 3.31Å; R9-S13 PolarHBondContact O-N 2.99Å; R9-S13 PolarHBondContact O-OG 3.11Å; R9-A162 PolarHBondContact NH2-O 3.43Å
10Q78.2Confident67.6Low124 Ų12491.3 Ų91.358%0.57945%0.446SS*.Hα-helixtrans-64.1-39177.6-71.8175.8-18.200111.7P6 S13 F14P6-Q10 PolarHBondContact O-N 3.15Å; Q10-S13 WeakPolarHBondContact CA-OG 3.33Å; Q10-S13 PolarHBondContact O-OG 2.9Å; Q10-F14 WeakPolarHBondContact O-CB 3.14Å; Q10-F14 PolarHBondContact O-N 3.24Å
11R82.5Confident68.5Low109 Ų10989.6 Ų89.641%0.41144%0.444SS..Hα-helixtrans-63.9-47.2173.7-174.1170.7179.9170.20.4111.3W7 G8 R9 S13 F14 L15 D332W7-R11 WeakPolarHBondContact O-CB 3.39Å; W7-R11 PolarHBondContact O-N 3.24Å; G8-R11 PolarHBondContact O-N 2.9Å; R9-R11 VanDerWaalsContact C-N 3.32Å; R11-S13 PolarHBondContact O-N 3.4Å; R11-F14 WeakPolarHBondContact O-CB 3.39Å; R11-F14 PolarHBondContact O-N 3.17Å; R11-L15 HydrophobicContact CG-CG 4.48Å; R11-L15 WeakPolarHBondContact O-CG 3.45Å; R11-L15 PolarHBondContact O-N 2.78Å; R11-D332 PolarHBondContact NH2-O 3.24Å
12L84.4Confident70.9Confident13 Ų1383 Ų837%0.06841%0.409CS..Hα-helixtrans-62.4-39.1178.6-71.4170.7000112.7G8 R9 L15 L16 A158 M159 L340G8-L12 VanDerWaalsContact O-CG 3.28Å; G8-L12 WeakPolarHBondContact O-CG 3.46Å; G8-L12 PolarHBondContact O-N 3.45Å; R9-L12 PolarHBondContact O-N 3.31Å; L12-L15 PolarHBondContact O-N 3.06Å; L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 PolarHBondContact O-N 2.87Å; L12-A158 HydrophobicContact CD1-CB 4.04Å; L12-A158 HydrophobicContact CD2-CB 3.77Å; L12-M159 HydrophobicContact CB-CG 3.91Å; L12-M159 HydrophobicContact CB-SD 4.48Å; L12-M159 HydrophobicContact CD1-CG 3.87Å; L12-M159 HydrophobicContact CG-CG 4.38Å; L12-L340 HydrophobicContact CD2-CD1 4.32Å
13S85.8Confident73.6Confident56 Ų5674.2 Ų74.239%0.39237%0.37SS..Hα-helixtrans-64.9-40.8174.353.40000112.1R9 Q10 R11 L16 E17R9-S13 PolarHBondContact O-N 2.99Å; R9-S13 PolarHBondContact O-OG 3.11Å; Q10-S13 WeakPolarHBondContact CA-OG 3.33Å; Q10-S13 PolarHBondContact O-OG 2.9Å; R11-S13 PolarHBondContact O-N 3.4Å; S13-L16 PolarHBondContact O-N 2.97Å; S13-E17 PolarHBondContact O-N 3.14Å
14F86.9Confident75.7Confident111 Ų11172 Ų7249%0.48738%0.375SS..Hα-helixtrans-63.4-41.7174.8177-100.4000112Q10 R11 L16 E17 K18 M328Q10-F14 WeakPolarHBondContact O-CB 3.14Å; Q10-F14 PolarHBondContact O-N 3.24Å; R11-F14 WeakPolarHBondContact O-CB 3.39Å; R11-F14 PolarHBondContact O-N 3.17Å; F14-L16 VanDerWaalsContact C-N 3.34Å; F14-L16 PolarHBondContact O-N 2.89Å; F14-E17 PolarHBondContact O-N 3.09Å; F14-K18 WeakPolarHBondContact O-CB 3.37Å; F14-K18 PolarHBondContact O-N 2.97Å; F14-M328 HydrophobicContact CD1-CE 4.26Å; F14-M328 HydrophobicContact CE1-CE 3.83Å
15L86.9Confident77.8Confident3 Ų375 Ų752%0.01637%0.373CS..Hα-helixtrans-62.3-41.5175.1-69.7-169000112R11 L12 K18 A19 I155 M328 F333R11-L15 HydrophobicContact CG-CG 4.48Å; R11-L15 WeakPolarHBondContact O-CG 3.45Å; R11-L15 PolarHBondContact O-N 2.78Å; L12-L15 PolarHBondContact O-N 3.06Å; L15-K18 PolarHBondContact O-N 3.05Å; L15-A19 WeakPolarHBondContact O-CB 3.41Å; L15-A19 PolarHBondContact O-N 3.34Å; L15-I155 HydrophobicContact CB-CD1 4.07Å; L15-I155 HydrophobicContact CB-CG1 4.32Å; L15-M328 HydrophobicContact CD2-CE 3.73Å; L15-F333 HydrophobicContact CB-CE2 4Å; L15-F333 HydrophobicContact CD1-CD2 4.15Å; L15-F333 HydrophobicContact CD1-CE2 4Å; L15-F333 HydrophobicContact CD2-CD2 3.47Å; L15-F333 VanDerWaalsContact CD2-CD2 3.47Å; L15-F333 HydrophobicContact CD2-CE2 3.72Å; L15-F333 HydrophobicContact CG-CD2 4.26Å; L15-F333 HydrophobicContact CG-CE2 4.1Å
16L88.4Confident79.4Confident5 Ų570.7 Ų70.73%0.02636%0.355CS..Hα-helixtrans-62.5-46.3176.5-176.458.8000111.4L12 S13 F14 A19 A20 F152 I155 F156 M159 K229 A230L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 PolarHBondContact O-N 2.87Å; S13-L16 PolarHBondContact O-N 2.97Å; F14-L16 VanDerWaalsContact C-N 3.34Å; F14-L16 PolarHBondContact O-N 2.89Å; L16-A19 PolarHBondContact O-N 2.95Å; L16-A20 VanDerWaalsContact O-CB 3.31Å; L16-A20 WeakPolarHBondContact O-CB 3.46Å; L16-A20 PolarHBondContact O-N 3.18Å; L16-F152 HydrophobicContact CD1-CD1 3.82Å; L16-F152 HydrophobicContact CD1-CE1 4.04Å; L16-I155 HydrophobicContact CB-CG2 3.97Å; L16-I155 HydrophobicContact CD1-CG2 4.18Å; L16-F156 HydrophobicContact CD1-CD1 4.36Å; L16-F156 HydrophobicContact CD1-CE1 3.53Å; L16-F156 HydrophobicContact CD1-CZ 3.89Å; L16-F156 HydrophobicContact CD2-CE1 3.98Å; L16-F156 HydrophobicContact CG-CE1 4.43Å; L16-M159 HydrophobicContact CD2-CE 4.39Å; L16-M159 HydrophobicContact CD2-SD 4.24Å; L16-K229 HydrophobicContact CD2-CB 4.1Å; L16-A230 HydrophobicContact CD2-CB 4.22Å
17E88.2Confident80.5Confident127 Ų12771 Ų7159%0.59335%0.346SS*.Hα-helixtrans-64.2-41.9179-173.3175.2-171.600111.8S13 F14 A20 S21S13-E17 PolarHBondContact O-N 3.14Å; F14-E17 PolarHBondContact O-N 3.09Å; E17-A20 PolarHBondContact O-N 3.01Å; E17-S21 WeakPolarHBondContact O-CB 3.47Å; E17-S21 PolarHBondContact O-N 3.2Å; E17-S21 PolarHBondContact O-OG 3.32Å
18K86.9Confident81.5Confident50 Ų5072.4 Ų72.422%0.21735%0.351CS..Hα-helixtrans-62.6-43.7174.1-170.3-179.1-179.2-174.70111.2F14 L15 S21 R22 M328F14-K18 WeakPolarHBondContact O-CB 3.37Å; F14-K18 PolarHBondContact O-N 2.97Å; L15-K18 PolarHBondContact O-N 3.05Å; K18-S21 PolarHBondContact O-N 3.3Å; K18-R22 WeakPolarHBondContact O-CG 3.36Å; K18-R22 PolarHBondContact O-N 3.38Å; K18-R22 VanDerWaalsContact O-N 3.09Å; K18-M328 PolarHBondContact NZ-O 2.87Å; K18-M328 VanDerWaalsContact NZ-O 3.15Å
19A86.1Confident81.3Confident0 Ų072.8 Ų72.80%036%0.356CS..Hα-helixtrans-64.6-44.717700000111.9L15 L16 S21 R22 E23 A147 F152 I155L15-A19 WeakPolarHBondContact O-CB 3.41Å; L15-A19 PolarHBondContact O-N 3.34Å; L16-A19 PolarHBondContact O-N 2.95Å; A19-S21 PolarHBondContact O-N 3.13Å; A19-R22 PolarHBondContact O-N 3.13Å; A19-E23 PolarHBondContact O-N 2.85Å; A19-A147 VanDerWaalsContact O-CB 3.27Å; A19-A147 WeakPolarHBondContact O-CB 3.47Å; A19-F152 HydrophobicContact CB-CD1 4.23Å; A19-F152 HydrophobicContact CB-CE1 3.63Å; A19-F152 HydrophobicContact CB-CZ 3.8Å; A19-I155 HydrophobicContact CB-CD1 4.1Å
20A87.4Confident80.6Confident36 Ų3669 Ų6930%0.29834%0.342SS..Hα-helixtrans-62.9-40.6176.800000112.1L16 E17 R22 E23 A24 F152L16-A20 VanDerWaalsContact O-CB 3.31Å; L16-A20 WeakPolarHBondContact O-CB 3.46Å; L16-A20 PolarHBondContact O-N 3.18Å; E17-A20 PolarHBondContact O-N 3.01Å; A20-R22 PolarHBondContact O-N 3.01Å; A20-E23 PolarHBondContact O-N 3.22Å; A20-A24 WeakPolarHBondContact O-CB 3.03Å; A20-A24 PolarHBondContact O-N 3.31Å; A20-F152 HydrophobicContact CB-CE1 4.49Å
21S86.5Confident79.4Confident57 Ų5769 Ų6940%0.39935%0.35SS..Hα-helixtrans-62.7-41.8176-61.10000111.9E17 K18 A19 A24 Q25E17-S21 WeakPolarHBondContact O-CB 3.47Å; E17-S21 PolarHBondContact O-N 3.2Å; E17-S21 PolarHBondContact O-OG 3.32Å; K18-S21 PolarHBondContact O-N 3.3Å; A19-S21 PolarHBondContact O-N 3.13Å; S21-A24 PolarHBondContact O-N 3.22Å; S21-Q25 WeakPolarHBondContact O-CG 3.49Å; S21-Q25 PolarHBondContact O-N 2.94Å
22R84.9Confident77.9Confident57 Ų5766.6 Ų66.622%0.21535%0.354CS..Hα-helixtrans-65.7-45.5175-72.9-176.6-56.9-136.53.1111.7K18 A19 A20 A24 Q25 T26 A147K18-R22 WeakPolarHBondContact O-CG 3.36Å; K18-R22 PolarHBondContact O-N 3.38Å; K18-R22 VanDerWaalsContact O-N 3.09Å; A19-R22 PolarHBondContact O-N 3.13Å; A20-R22 PolarHBondContact O-N 3.01Å; R22-A24 VanDerWaalsContact C-N 3.28Å; R22-A24 PolarHBondContact O-N 3.41Å; R22-Q25 PolarHBondContact O-N 2.83Å; R22-Q25 VanDerWaalsContact O-N 3.13Å; R22-T26 PolarHBondContact O-N 3.26Å; R22-T26 PolarHBondContact O-OG1 2.81Å; R22-T26 VanDerWaalsContact O-OG1 3.13Å; R22-A147 HydrophobicContact CB-CB 3.91Å
23E87.3Confident76.5Confident14 Ų1469.7 Ų69.77%0.06537%0.366CS..Hα-helixtrans-57.5-42.7175.4-176177-11800110.9A19 A20 Q25 T26 W27 A147 F152 R199 G200 S201A19-E23 PolarHBondContact O-N 2.85Å; A20-E23 PolarHBondContact O-N 3.22Å; E23-Q25 VanDerWaalsContact C-N 3.28Å; E23-Q25 PolarHBondContact O-N 3.15Å; E23-T26 PolarHBondContact O-N 3.44Å; E23-W27 HydrophobicContact CG-CB 4.47Å; E23-W27 WeakPolarHBondContact O-CA 3.42Å; E23-W27 WeakPolarHBondContact O-CB 3.37Å; E23-W27 PolarHBondContact O-N 3.41Å; E23-A147 HydrophobicContact CB-CB 4.05Å; E23-F152 HydrophobicContact CB-CE2 4.17Å; E23-F152 HydrophobicContact CB-CZ 3.96Å; E23-F152 HydrophobicContact CG-CE2 4.46Å; E23-R199 WeakPolarHBondContact OE1-CB 3.01Å; E23-G200 WeakPolarHBondContact OE1-CA 3.49Å; E23-G200 PolarHBondContact OE1-N 3.32Å; E23-S201 PolarHBondContact OE1-N 2.8Å; E23-S201 PolarHBondContact OE1-OG 3.37Å; E23-S201 VanDerWaalsContact OE2-CB 3.29Å; E23-S201 WeakPolarHBondContact OE2-CB 3.3Å; E23-S201 PolarHBondContact OE2-OG 3.18Å
24A84Confident74.7Confident79 Ų7976.1 Ų76.165%0.65339%0.388SS*.Hα-helixtrans-63.3-31.717800000113.5A20 S21 R22A20-A24 WeakPolarHBondContact O-CB 3.03Å; A20-A24 PolarHBondContact O-N 3.31Å; S21-A24 PolarHBondContact O-N 3.22Å; R22-A24 VanDerWaalsContact C-N 3.28Å; R22-A24 PolarHBondContact O-N 3.41Å
25Q80.4Confident72.8Confident157 Ų15779.3 Ų79.373%0.73440%0.404SS*.Hα-helixtrans-77.7-39.4177.9-70.3170.412.500112.3S21 R22 E23S21-Q25 WeakPolarHBondContact O-CG 3.49Å; S21-Q25 PolarHBondContact O-N 2.94Å; R22-Q25 PolarHBondContact O-N 2.83Å; R22-Q25 VanDerWaalsContact O-N 3.13Å; E23-Q25 VanDerWaalsContact C-N 3.28Å; E23-Q25 PolarHBondContact O-N 3.15Å
26T74.4Confident70.7Confident31 Ų3183.6 Ų83.619%0.1943%0.43CS..Hα-helixtrans-92.1-20.5-175.361.20000113.5R22 E23 R28 T146R22-T26 PolarHBondContact O-N 3.26Å; R22-T26 PolarHBondContact O-OG1 2.81Å; R22-T26 VanDerWaalsContact O-OG1 3.13Å; E23-T26 PolarHBondContact O-N 3.44Å; T26-R28 PolarHBondContact O-N 2.91Å; T26-T146 PolarHBondContact OG1-OG1 3.38Å
27W72Confident68.8Low85 Ų8588.4 Ų88.432%0.32246%0.464SS..  trans-69.498.4-177.7-177.8-99.7000111.7E23 Q197 L198 R199E23-W27 HydrophobicContact CG-CB 4.47Å; E23-W27 WeakPolarHBondContact O-CA 3.42Å; E23-W27 WeakPolarHBondContact O-CB 3.37Å; E23-W27 PolarHBondContact O-N 3.41Å; W27-Q197 WeakPolarHBondContact CZ2-O 3.32Å; W27-L198 WeakPolarHBondContact CH2-O 3.45Å; W27-L198 WeakPolarHBondContact CZ3-O 3.45Å; W27-R199 HydrophobicContact CD2-CG 3.82Å; W27-R199 HydrophobicContact CE3-CG 4.14Å; W27-R199 HydrophobicContact CG-CG 4.31Å; W27-R199 HydrophobicContact CH2-CG 4.29Å; W27-R199 HydrophobicContact CZ2-CG 3.96Å; W27-R199 HydrophobicContact CZ3-CG 4.37Å
28R64.1Low66.9Low226 Ų22691.6 Ų91.685%0.85348%0.479SS*.  trans-100.2103.3159.2-58.5-172.5-161.1-98.73.6105.9T26 Y30T26-R28 PolarHBondContact O-N 2.91Å; R28-Y30 PolarHBondContact O-N 3.27Å
29G59.4Low65.4Low37 Ų3796.8 Ų96.838%0.38151%0.509SS..  trans-46.8132.6-177.300000111.1V31G29-V31 PolarHBondContact O-N 3Å
30Y56.9Low64.5Low72 Ų7299.4 Ų99.428%0.28253%0.531SS..  trans-60.7103.7-179.7179.8-96.1000109.6R28 A32 M196 Q197R28-Y30 PolarHBondContact O-N 3.27Å; Y30-A32 HydrophobicContact CE1-CB 4.08Å; Y30-A32 PolarHBondContact O-N 3.01Å; Y30-M196 HydrophobicContact CD1-CE 4.04Å; Y30-M196 HydrophobicContact CD2-CE 3.86Å; Y30-M196 HydrophobicContact CE1-CE 3.63Å; Y30-M196 HydrophobicContact CE2-CE 3.45Å; Y30-M196 VanDerWaalsContact CE2-CE 3.45Å; Y30-M196 HydrophobicContact CG-CB 4.47Å; Y30-M196 HydrophobicContact CG-CE 4.14Å; Y30-Q197 HydrophobicContact CD1-CG 4.41Å
31V53.1Low64.4Low123 Ų123100.1 Ų100.175%0.74553%0.53SS*.  trans-84.7105.2172.7-177.50000106.8G29 K33G29-V31 PolarHBondContact O-N 3Å; V31-K33 PolarHBondContact O-N 3.13Å
32A51.9Low64.4Low59 Ų5998.4 Ų98.449%0.48852%0.517SS..  trans-54.2112.4173.200000109.1Y30 K34Y30-A32 HydrophobicContact CE1-CB 4.08Å; Y30-A32 PolarHBondContact O-N 3.01Å; A32-K34 PolarHBondContact O-N 3.34Å
33K55.8Low64.5Low78 Ų7897.7 Ų97.734%0.33952%0.52SS..  trans-60.5122.3174.3-73171.6178.9156.20107.9V31 Q35 D41 L79 A80 I82V31-K33 PolarHBondContact O-N 3.13Å; K33-Q35 PolarHBondContact O-N 3.05Å; K33-D41 WeakPolarHBondContact CD-OD2 3.5Å; K33-D41 IonicContact NZ-OD2 3.59Å; K33-L79 PolarHBondContact NZ-O 3.36Å; K33-A80 WeakPolarHBondContact CE-O 3.25Å; K33-A80 PolarHBondContact NZ-O 3.06Å; K33-A80 VanDerWaalsContact NZ-O 3.09Å; K33-I82 PolarHBondContact NZ-O 3.28Å
34K47.6Very low64.6Low192 Ų19299 Ų9984%0.83553%0.53SS*.  trans-56.6122.3167.4-106.9178.1176.7177.40107.3A32 T36A32-K34 PolarHBondContact O-N 3.34Å; K34-T36 PolarHBondContact O-N 3.39Å
35Q46.8Very low64.8Low177 Ų17797.8 Ų97.883%0.82752%0.521SS*.  trans-59.2101.2177.9-71176.4-0.500109.2K33K33-Q35 PolarHBondContact O-N 3.05Å
36T42.8Very low65.3Low94 Ų9493.5 Ų93.558%0.57750%0.5SS*.  trans-98.3106.3168.951.60000107.5K34K34-T36 PolarHBondContact O-N 3.39Å
37S47.7Very low66.2Low105 Ų10592.4 Ų92.473%0.73449%0.493SS*.SBendtrans65.5136.6177.465.30000116.8D39S37-D39 PolarHBondContact O-N 3.09Å; S37-D39 VanDerWaalsContact O-N 3.09Å
38Q49.1Very low67.2Low194 Ų19488.8 Ų88.891%0.90748%0.48SS*.THydrogen-bonded Turntrans-71.84.3-151.6-95.4-174.8-30.600119.1
39D54.3Low68.6Low159 Ų15983.3 Ų83.385%0.8546%0.464SS*.THydrogen-bonded Turntrans-150.99.9-167.6-108.7-26.4000118.3S37S37-D39 PolarHBondContact O-N 3.09Å; S37-D39 VanDerWaalsContact O-N 3.09Å
40A69Low70.3Confident55 Ų5581.8 Ų81.846%0.45545%0.447SS..SBendtrans-102.9-24.4-170.400000116
41D83.8Confident72.1Confident51 Ų5178.3 Ų78.327%0.27343%0.434SS..SBendtrans-120155.8-171.3-152.85.5000111.9K33 S43 K83 V84K33-D41 WeakPolarHBondContact CD-OD2 3.5Å; K33-D41 IonicContact NZ-OD2 3.59Å; D41-S43 PolarHBondContact O-N 3.19Å; D41-K83 WeakPolarHBondContact OD1-CA 3.2Å; D41-V84 CarbonylContact C-O 3.59Å; D41-V84 VanDerWaalsContact CA-O 3.3Å; D41-V84 WeakPolarHBondContact CA-O 3.44Å; D41-V84 PolarHBondContact OD1-N 2.95Å
42V86.2Confident74.1Confident22 Ų2277.3 Ų77.313%0.13342%0.417CS..  trans-63.8125.3176.7170.50000109.5Q46 R47 V84 L89V42-Q46 HydrophobicContact CG1-CB 4.07Å; V42-R47 HydrophobicContact CG1-CB 4.18Å; V42-V84 HydrophobicContact CG2-CB 3.96Å; V42-V84 HydrophobicContact CG2-CG1 3.85Å; V42-V84 WeakPolarHBondContact CG2-O 3.4Å; V42-V84 PolarHBondContact N-O 3.13Å; V42-L89 HydrophobicContact CG1-CD1 4.21Å; V42-L89 HydrophobicContact CG1-CD2 3.75Å; V42-L89 HydrophobicContact CG2-CB 4.28Å; V42-L89 HydrophobicContact CG2-CD1 4.18Å; V42-L89 HydrophobicContact CG2-CD2 4.23Å; V42-L89 HydrophobicContact CG2-CG 4.47Å
43S89Confident76.2Confident41 Ų4175.5 Ų75.529%0.28740%0.397SS..  trans-76.8153.9174.7790000111.3D41 A45 Q46 R47D41-S43 PolarHBondContact O-N 3.19Å; S43-A45 PolarHBondContact O-N 2.75Å; S43-Q46 WeakPolarHBondContact O-CB 2.95Å; S43-Q46 PolarHBondContact O-N 3.29Å; S43-Q46 WeakPolarHBondContact OG-CG 3.42Å; S43-Q46 PolarHBondContact OG-N 2.96Å; S43-R47 PolarHBondContact O-N 3.04Å
44P88.1Confident78.1Confident42 Ų4271.8 Ų71.827%0.27338%0.381SS..Hα-helixtrans-54.9-37175.4-25.734.1000112.9R47 D48 H193P44-R47 PolarHBondContact O-N 3.49Å; P44-D48 VanDerWaalsContact O-CG 3.29Å; P44-D48 PolarHBondContact O-N 2.8Å; P44-H193 HydrophobicContact CB-CB 3.68Å; P44-H193 VanDerWaalsContact CB-CG 3.49Å
45A88.9Confident80.3Confident54 Ų5464.3 Ų64.345%0.44635%0.352SS..Hα-helixtrans-66.5-3717700000113.2S43 D48 E49S43-A45 PolarHBondContact O-N 2.75Å; A45-D48 PolarHBondContact O-N 3.35Å; A45-E49 PolarHBondContact O-N 3.44Å; A45-E49 VanDerWaalsContact O-N 3.09Å
46Q91.4Very high82.6Confident66 Ų6662 Ų6231%0.30834%0.34SS..Hα-helixtrans-68-37.2174.8-75170.1-26.600111.6V42 S43 E49 A50 L89V42-Q46 HydrophobicContact CG1-CB 4.07Å; S43-Q46 WeakPolarHBondContact O-CB 2.95Å; S43-Q46 PolarHBondContact O-N 3.29Å; S43-Q46 WeakPolarHBondContact OG-CG 3.42Å; S43-Q46 PolarHBondContact OG-N 2.96Å; Q46-E49 PolarHBondContact O-N 3.36Å; Q46-A50 PolarHBondContact O-N 3.39Å; Q46-L89 HydrophobicContact CB-CD2 4.02Å; Q46-L89 WeakPolarHBondContact O-CD2 3.44Å
47R93.3Very high85.1Confident8 Ų857.5 Ų57.53%0.0331%0.313CS..Hα-helixtrans-62.6-44.9173.1178.4-92.2177.6-153.61.2110.9V42 S43 P44 E49 A50 V51 D76 L79 L190 M196V42-R47 HydrophobicContact CG1-CB 4.18Å; S43-R47 PolarHBondContact O-N 3.04Å; P44-R47 PolarHBondContact O-N 3.49Å; R47-E49 VanDerWaalsContact C-N 3.28Å; R47-E49 PolarHBondContact O-N 2.9Å; R47-A50 WeakPolarHBondContact O-CB 3.27Å; R47-A50 PolarHBondContact O-N 3.2Å; R47-A50 VanDerWaalsContact O-N 3.15Å; R47-V51 WeakPolarHBondContact O-CG2 3.38Å; R47-V51 PolarHBondContact O-N 2.95Å; R47-D76 IonicContact CZ-OD1 3.88Å; R47-D76 IonicContact CZ-OD2 3.42Å; R47-D76 IonicContact NE-OD1 2.69Å; R47-D76 PolarHBondContact NE-OD1 3.26Å; R47-D76 IonicContact NE-OD2 3.35Å; R47-D76 VanDerWaalsContact NH2-CG 3.3Å; R47-D76 IonicContact NH2-OD1 3.45Å; R47-D76 PolarHBondContact NH2-OD1 3.29Å; R47-D76 VanDerWaalsContact NH2-OD1 3.1Å; R47-D76 IonicContact NH2-OD2 3.99Å; R47-D76 PolarHBondContact NH2-OD2 3.37Å; R47-L79 HydrophobicContact CG-CD1 4.09Å; R47-L190 PolarHBondContact NH1-O 2.92Å; R47-L190 PolarHBondContact NH2-O 2.99Å; R47-M196 VanDerWaalsContact CZ-SD 3.59Å; R47-M196 PolarHBondContact NE-SD 2.84Å; R47-M196 VanDerWaalsContact NE-SD 3.37Å
48D92.8Very high87.4Confident9 Ų953.2 Ų53.25%0.04828%0.281CS..Hα-helixtrans-60.7-37.9177-69.9-3.8000112.5P44 A45 V51 R52 A191 H193P44-D48 VanDerWaalsContact O-CG 3.29Å; P44-D48 PolarHBondContact O-N 2.8Å; A45-D48 PolarHBondContact O-N 3.35Å; D48-V51 PolarHBondContact O-N 3.36Å; D48-R52 PolarHBondContact O-N 3.05Å; D48-R52 PolarHBondContact O-NE 2.65Å; D48-A191 WeakPolarHBondContact CB-O 3.35Å; D48-A191 VanDerWaalsContact OD1-O 3.07Å; D48-H193 WeakPolarHBondContact OD1-CB 3.49Å; D48-H193 PolarHBondContact OD1-N 3.26Å; D48-H193 IonicContact OD1-ND1 3.18Å; D48-H193 IonicContact OD2-CE1 3.58Å; D48-H193 IonicContact OD2-CG 2.72Å; D48-H193 PolarHBondContact OD2-N 3.32Å; D48-H193 IonicContact OD2-ND1 3.19Å; D48-H193 PolarHBondContact OD2-ND1 3Å
49E92.9Very high89.4Confident112 Ų11245.6 Ų45.652%0.52326%0.255SS..Hα-helixtrans-65.9-42.5174.2-169.8-176.8168.500112.4A45 Q46 R47 V51 R52 W53A45-E49 PolarHBondContact O-N 3.44Å; A45-E49 VanDerWaalsContact O-N 3.09Å; Q46-E49 PolarHBondContact O-N 3.36Å; R47-E49 VanDerWaalsContact C-N 3.28Å; R47-E49 PolarHBondContact O-N 2.9Å; E49-V51 VanDerWaalsContact C-N 3.34Å; E49-V51 PolarHBondContact O-N 3.11Å; E49-R52 VanDerWaalsContact CA-NH2 3.34Å; E49-R52 PolarHBondContact O-N 2.69Å; E49-W53 WeakPolarHBondContact O-CB 3.31Å; E49-W53 PolarHBondContact O-N 3.45Å
50A94.6Very high91.3Very high4 Ų444.4 Ų44.43%0.03324%0.239CC..Hα-helixtrans-62-41.3174.700000111.8Q46 R47 W53 L54 L89Q46-A50 PolarHBondContact O-N 3.39Å; R47-A50 WeakPolarHBondContact O-CB 3.27Å; R47-A50 PolarHBondContact O-N 3.2Å; R47-A50 VanDerWaalsContact O-N 3.15Å; A50-W53 PolarHBondContact O-N 2.79Å; A50-L54 WeakPolarHBondContact O-CG 3.22Å; A50-L54 PolarHBondContact O-N 3.34Å; A50-L89 HydrophobicContact CB-CD1 4.4Å; A50-L89 HydrophobicContact CB-CD2 3.91Å; A50-L89 HydrophobicContact CB-CG 3.94Å
51V95.4Very high92.3Very high0 Ų044.1 Ų44.10%023%0.229CC..Hα-helixtrans-67.9-42.9177.8174.80000111.7R47 D48 E49 W53 L54 T55 V72 L75 A191R47-V51 WeakPolarHBondContact O-CG2 3.38Å; R47-V51 PolarHBondContact O-N 2.95Å; D48-V51 PolarHBondContact O-N 3.36Å; E49-V51 VanDerWaalsContact C-N 3.34Å; E49-V51 PolarHBondContact O-N 3.11Å; V51-W53 VanDerWaalsContact C-N 3.3Å; V51-W53 PolarHBondContact O-N 2.87Å; V51-L54 WeakPolarHBondContact O-CB 3.42Å; V51-L54 PolarHBondContact O-N 2.91Å; V51-L54 VanDerWaalsContact O-N 3.15Å; V51-T55 PolarHBondContact O-N 3.21Å; V51-T55 PolarHBondContact O-OG1 3.07Å; V51-T55 VanDerWaalsContact O-OG1 3.05Å; V51-V72 HydrophobicContact CG1-CG1 4.46Å; V51-V72 HydrophobicContact CG1-CG2 3.75Å; V51-V72 HydrophobicContact CG2-CG1 4.19Å; V51-V72 HydrophobicContact CG2-CG2 4.16Å; V51-L75 HydrophobicContact CG2-CD2 4.13Å; V51-A191 HydrophobicContact CB-CB 4.49Å; V51-A191 HydrophobicContact CG1-CB 4.01Å
52R94.6Very high92.7Very high102 Ų10249.6 Ų49.639%0.38525%0.253SS..Hα-helixtrans-57.4-45.5173.3-79.9-178.1-88.499.40.4111.8D48 E49 L54 T55 E56 A191D48-R52 PolarHBondContact O-N 3.05Å; D48-R52 PolarHBondContact O-NE 2.65Å; E49-R52 VanDerWaalsContact CA-NH2 3.34Å; E49-R52 PolarHBondContact O-N 2.69Å; R52-L54 VanDerWaalsContact C-N 3.35Å; R52-L54 PolarHBondContact O-N 3.48Å; R52-T55 WeakPolarHBondContact O-CB 3.48Å; R52-T55 PolarHBondContact O-N 3.48Å; R52-T55 VanDerWaalsContact O-N 3.16Å; R52-E56 PolarHBondContact O-N 2.89Å; R52-A191 HydrophobicContact CG-CB 3.8Å
53W95.3Very high93Very high21 Ų2149.5 Ų49.58%0.0825%0.252CS..Hα-helixtrans-62.7-38.6175.9167.568000112.9E49 A50 V51 T55 E56 L57 R90 A93 V94 S120 C122E49-W53 WeakPolarHBondContact O-CB 3.31Å; E49-W53 PolarHBondContact O-N 3.45Å; A50-W53 PolarHBondContact O-N 2.79Å; V51-W53 VanDerWaalsContact C-N 3.3Å; V51-W53 PolarHBondContact O-N 2.87Å; W53-T55 VanDerWaalsContact C-N 3.35Å; W53-E56 PolarHBondContact O-N 2.82Å; W53-L57 PolarHBondContact O-N 3.28Å; W53-R90 HydrophobicContact CH2-CB 4.03Å; W53-R90 HydrophobicContact CH2-CG 4.45Å; W53-R90 VanDerWaalsContact CZ2-NH2 3.31Å; W53-R90 HydrophobicContact CZ3-CB 4.22Å; W53-R90 HydrophobicContact CZ3-CG 4.42Å; W53-A93 HydrophobicContact CE3-CB 4.49Å; W53-A93 HydrophobicContact CZ3-CB 3.88Å; W53-V94 HydrophobicContact CH2-CG2 3.21Å; W53-V94 HydrophobicContact CZ2-CG2 3.99Å; W53-V94 HydrophobicContact CZ3-CG2 3.84Å; W53-S120 WeakPolarHBondContact CZ2-O 3.47Å; W53-S120 PolarHBondContact NE1-O 3.41Å; W53-S120 VanDerWaalsContact NE1-O 3.17Å; W53-C122 HydrophobicContact CH2-CB 3.8Å; W53-C122 HydrophobicContact CZ2-CB 3.99Å
54L96.3Very high93.2Very high0 Ų051.4 Ų51.40%025%0.253CS..Hα-helixtrans-63.6-39.5172.3-75.5-178000112A50 V51 R52 E56 L57 H58 L68 A93 F97A50-L54 WeakPolarHBondContact O-CG 3.22Å; A50-L54 PolarHBondContact O-N 3.34Å; V51-L54 WeakPolarHBondContact O-CB 3.42Å; V51-L54 PolarHBondContact O-N 2.91Å; V51-L54 VanDerWaalsContact O-N 3.15Å; R52-L54 VanDerWaalsContact C-N 3.35Å; R52-L54 PolarHBondContact O-N 3.48Å; L54-E56 VanDerWaalsContact C-N 3.33Å; L54-E56 PolarHBondContact O-N 3.28Å; L54-L57 HydrophobicContact CD2-CD2 4.48Å; L54-L57 PolarHBondContact O-N 3.09Å; L54-H58 VanDerWaalsContact O-CB 3.27Å; L54-H58 WeakPolarHBondContact O-CB 3.49Å; L54-H58 PolarHBondContact O-N 3.35Å; L54-L68 HydrophobicContact CB-CD1 4.02Å; L54-A93 HydrophobicContact CD1-CB 3.98Å; L54-A93 HydrophobicContact CD2-CB 4.24Å; L54-A93 HydrophobicContact CG-CB 4.19Å; L54-F97 HydrophobicContact CD2-CB 3.91Å; L54-F97 HydrophobicContact CD2-CD2 4.21Å; L54-F97 HydrophobicContact CD2-CG 4.19Å
55T95Very high93.4Very high35 Ų3551 Ų5122%0.21525%0.251CS..Hα-helixtrans-62.2-40.1175.5-55.70000111.7V51 R52 W53 G59 L68 Y187V51-T55 PolarHBondContact O-N 3.21Å; V51-T55 PolarHBondContact O-OG1 3.07Å; V51-T55 VanDerWaalsContact O-OG1 3.05Å; R52-T55 WeakPolarHBondContact O-CB 3.48Å; R52-T55 PolarHBondContact O-N 3.48Å; R52-T55 VanDerWaalsContact O-N 3.16Å; W53-T55 VanDerWaalsContact C-N 3.35Å; T55-G59 PolarHBondContact O-N 3.48Å; T55-L68 HydrophobicContact CG2-CD2 3.97Å; T55-Y187 HydrophobicContact CG2-CD2 4.04Å; T55-Y187 HydrophobicContact CG2-CG 4.42Å
56E94.4Very high93.5Very high127 Ų12749.9 Ų49.959%0.59324%0.237SC*.Hα-helixtrans-66.7-41.4174.2-69.3170.5-16800112.3R52 W53 L54 G59 R60R52-E56 PolarHBondContact O-N 2.89Å; W53-E56 PolarHBondContact O-N 2.82Å; L54-E56 VanDerWaalsContact C-N 3.33Å; L54-E56 PolarHBondContact O-N 3.28Å; E56-G59 PolarHBondContact O-N 3.42Å; E56-R60 WeakPolarHBondContact O-CG 3.4Å; E56-R60 PolarHBondContact O-N 2.75Å; E56-R60 VanDerWaalsContact O-N 3.09Å
57L94.9Very high93.7Very high0 Ų046.8 Ų46.80%022%0.222CC..Hα-helixtrans-63.4-45.8175.1178.760.4000111.4W53 L54 G59 R60 L61 F97 L116W53-L57 PolarHBondContact O-N 3.28Å; L54-L57 HydrophobicContact CD2-CD2 4.48Å; L54-L57 PolarHBondContact O-N 3.09Å; L57-G59 VanDerWaalsContact C-N 3.34Å; L57-G59 PolarHBondContact O-N 3.24Å; L57-R60 PolarHBondContact O-N 2.76Å; L57-R60 VanDerWaalsContact O-N 3.14Å; L57-L61 HydrophobicContact CD1-CD1 3.88Å; L57-L61 HydrophobicContact CD1-CG 4.2Å; L57-L61 HydrophobicContact CG-CD1 3.99Å; L57-L61 WeakPolarHBondContact O-CG 3.32Å; L57-L61 PolarHBondContact O-N 2.87Å; L57-F97 HydrophobicContact CD2-CD1 4.33Å; L57-F97 HydrophobicContact CD2-CE1 4.42Å; L57-F97 HydrophobicContact CG-CE1 4.47Å; L57-L116 HydrophobicContact CD2-CD1 4.16Å
58H95.3Very high93.8Very high15 Ų1546.4 Ų46.47%0.06922%0.221CC..Hα-helixtrans-54.5-48.8173.9170.8-93.2000111.5L54 R60 L61 Q62 L63 Y64 L68 F97L54-H58 VanDerWaalsContact O-CB 3.27Å; L54-H58 WeakPolarHBondContact O-CB 3.49Å; L54-H58 PolarHBondContact O-N 3.35Å; H58-R60 VanDerWaalsContact C-N 3.29Å; H58-R60 PolarHBondContact O-N 2.99Å; H58-L61 PolarHBondContact O-N 3.39Å; H58-Q62 PolarHBondContact O-N 3.42Å; H58-L63 PolarHBondContact CE1-O 2.97Å; H58-L63 PolarHBondContact NE2-O 2.61Å; H58-Y64 PolarHBondContact NE2-O 3.42Å; H58-L68 HydrophobicContact CB-CB 4.29Å; H58-L68 HydrophobicContact CB-CD1 4.12Å; H58-L68 HydrophobicContact CB-CD2 4.25Å; H58-L68 HydrophobicContact CB-CG 4.46Å; H58-F97 HydrophobicContact CB-CE2 3.94Å; H58-F97 HydrophobicContact CB-CZ 4.15Å
59G92.4Very high93.8Very high35 Ų3546.2 Ų46.236%0.36122%0.22SC..Hα-helixtrans-62.5-31.9177.300000113.8T55 E56 L57 Q62T55-G59 PolarHBondContact O-N 3.48Å; E56-G59 PolarHBondContact O-N 3.42Å; L57-G59 VanDerWaalsContact C-N 3.34Å; L57-G59 PolarHBondContact O-N 3.24Å; G59-Q62 PolarHBondContact O-NE2 2.93Å
60R93.2Very high93.9Very high133 Ų13341.5 Ų41.550%0.50220%0.198SC..Hα-helixtrans-74-33.5174.9-73.4-175.5-66.8152.44.4113E56 L57 H58 S119E56-R60 WeakPolarHBondContact O-CG 3.4Å; E56-R60 PolarHBondContact O-N 2.75Å; E56-R60 VanDerWaalsContact O-N 3.09Å; L57-R60 PolarHBondContact O-N 2.76Å; L57-R60 VanDerWaalsContact O-N 3.14Å; H58-R60 VanDerWaalsContact C-N 3.29Å; H58-R60 PolarHBondContact O-N 2.99Å; R60-S119 VanDerWaalsContact CZ-O 3.27Å; R60-S119 PolarHBondContact NH1-O 3.46Å; R60-S119 PolarHBondContact NH2-O 3Å
61L91.4Very high93.9Very high49 Ų4941.3 Ų41.326%0.25720%0.197SC..Hα-helixtrans-86.7-11.8-179.8-64.4173.9000113.2L57 H58 L63 F97 L116L57-L61 HydrophobicContact CD1-CD1 3.88Å; L57-L61 HydrophobicContact CD1-CG 4.2Å; L57-L61 HydrophobicContact CG-CD1 3.99Å; L57-L61 WeakPolarHBondContact O-CG 3.32Å; L57-L61 PolarHBondContact O-N 2.87Å; H58-L61 PolarHBondContact O-N 3.39Å; L61-L63 HydrophobicContact CB-CD1 4.3Å; L61-L63 HydrophobicContact CB-CD2 4.4Å; L61-L63 HydrophobicContact CB-CG 3.84Å; L61-L63 HydrophobicContact CD1-CD1 4.44Å; L61-L63 PolarHBondContact O-N 3.46Å; L61-F97 HydrophobicContact CD1-CE1 3.7Å; L61-F97 HydrophobicContact CD1-CZ 4.23Å; L61-L116 HydrophobicContact CD1-CD1 4.03Å
62Q91.7Very high93.9Very high166 Ų16641.4 Ų41.478%0.77620%0.197SC*.THydrogen-bonded Turntrans5439178.3-63.6-72.4-4400113H58 G59H58-Q62 PolarHBondContact O-N 3.42Å; G59-Q62 PolarHBondContact O-NE2 2.93Å
63L91.8Very high93.8Very high20 Ų2037.8 Ų37.811%0.10519%0.188CC..  trans-78.5167.2178.1-63.2-171.2000111.8H58 L61 T67 F97 A101 E105H58-L63 PolarHBondContact CE1-O 2.97Å; H58-L63 PolarHBondContact NE2-O 2.61Å; L61-L63 HydrophobicContact CB-CD1 4.3Å; L61-L63 HydrophobicContact CB-CD2 4.4Å; L61-L63 HydrophobicContact CB-CG 3.84Å; L61-L63 HydrophobicContact CD1-CD1 4.44Å; L61-L63 PolarHBondContact O-N 3.46Å; L63-T67 HydrophobicContact CB-CG2 4.4Å; L63-T67 HydrophobicContact CD1-CG2 3.9Å; L63-F97 HydrophobicContact CD1-CE1 3.77Å; L63-F97 HydrophobicContact CD1-CZ 3.64Å; L63-A101 HydrophobicContact CD1-CB 4.24Å; L63-E105 WeakPolarHBondContact CB-OE1 3.2Å; L63-E105 HydrophobicContact CD1-CG 4.5Å; L63-E105 HydrophobicContact CD2-CG 4.17Å
64Y92.6Very high93.8Very high81 Ų8136.8 Ų36.832%0.31818%0.184SC..  trans-60.4149.4176.1-71.6-58.4000112.2H58 E66 T67 E105H58-Y64 PolarHBondContact NE2-O 3.42Å; Y64-E66 WeakPolarHBondContact CB-OE2 3.37Å; Y64-E66 PolarHBondContact O-N 3.36Å; Y64-T67 WeakPolarHBondContact O-CB 3.5Å; Y64-T67 PolarHBondContact O-N 3.29Å; Y64-E105 WeakPolarHBondContact CB-OE1 3.3Å; Y64-E105 VanDerWaalsContact CD2-CD 3.5Å; Y64-E105 WeakPolarHBondContact CD2-OE2 3.46Å; Y64-E105 PolarHBondContact N-OE1 3.11Å
65P92.8Very high93.7Very high35 Ų3536.8 Ų36.823%0.22718%0.184CC..Hα-helixtrans-62.2-32.3179.224.4-32.7000113T67 L68 V69 L150 T183 Y187P65-T67 PolarHBondContact O-N 3.42Å; P65-L68 PolarHBondContact O-N 2.84Å; P65-V69 WeakPolarHBondContact O-CG2 3.48Å; P65-V69 PolarHBondContact O-N 3.37Å; P65-L150 HydrophobicContact CB-CD2 3.9Å; P65-L150 HydrophobicContact CG-CD2 4.24Å; P65-T183 HydrophobicContact CB-CG2 3.74Å; P65-Y187 WeakPolarHBondContact CA-OH 3.48Å; P65-Y187 WeakPolarHBondContact CB-OH 3.34Å
66E92.1Very high93.5Very high30 Ų3036.9 Ų36.914%0.1418%0.183CC..Hα-helixtrans-55.3-40.3175.2-68.174.2-166.700111.4Y64 L68 V69 L70 C104 L150 H154 Y334Y64-E66 WeakPolarHBondContact CB-OE2 3.37Å; Y64-E66 PolarHBondContact O-N 3.36Å; E66-L68 PolarHBondContact O-N 3.11Å; E66-V69 PolarHBondContact O-N 2.97Å; E66-L70 WeakPolarHBondContact O-CB 3.36Å; E66-L70 PolarHBondContact O-N 2.83Å; E66-C104 HydrophobicContact CB-CB 4.39Å; E66-L150 HydrophobicContact CB-CD2 4.42Å; E66-L150 HydrophobicContact CG-CD2 3.96Å; E66-H154 IonicContact OE1-CE1 3.48Å; E66-H154 PolarHBondContact OE1-CE1 2.93Å; E66-Y334 HydrophobicContact CG-CD1 4.16Å; E66-Y334 HydrophobicContact CG-CE1 3.62Å
67T94.4Very high93.3Very high0 Ų033.5 Ų33.50%017%0.165CC..Hα-helixtrans-60.1-45.6-179.2-63.40000112.2L63 Y64 P65 A71 F97 A100 A101 C104 E105L63-T67 HydrophobicContact CB-CG2 4.4Å; L63-T67 HydrophobicContact CD1-CG2 3.9Å; Y64-T67 WeakPolarHBondContact O-CB 3.5Å; Y64-T67 PolarHBondContact O-N 3.29Å; P65-T67 PolarHBondContact O-N 3.42Å; T67-A71 VanDerWaalsContact O-CB 3.24Å; T67-A71 WeakPolarHBondContact O-CB 3.36Å; T67-A71 PolarHBondContact O-N 3.19Å; T67-F97 HydrophobicContact CG2-CE2 4.22Å; T67-F97 HydrophobicContact CG2-CZ 4.36Å; T67-A100 HydrophobicContact CG2-CB 4.18Å; T67-A100 WeakPolarHBondContact O-CB 3.2Å; T67-A101 HydrophobicContact CG2-CB 4.03Å; T67-C104 WeakPolarHBondContact OG1-CB 3.44Å; T67-E105 PolarHBondContact OG1-OE1 3.08Å
68L95.4Very high93.2Very high1 Ų134 Ų341%0.00517%0.167CC..Hα-helixtrans-67.3-46.3178.4178.662.6000111.5L54 T55 H58 P65 E66 L70 A71 V72 Y187L54-L68 HydrophobicContact CB-CD1 4.02Å; T55-L68 HydrophobicContact CG2-CD2 3.97Å; H58-L68 HydrophobicContact CB-CB 4.29Å; H58-L68 HydrophobicContact CB-CD1 4.12Å; H58-L68 HydrophobicContact CB-CD2 4.25Å; H58-L68 HydrophobicContact CB-CG 4.46Å; P65-L68 PolarHBondContact O-N 2.84Å; E66-L68 PolarHBondContact O-N 3.11Å; L68-L70 VanDerWaalsContact C-N 3.35Å; L68-L70 PolarHBondContact O-N 2.72Å; L68-A71 WeakPolarHBondContact O-CB 3.31Å; L68-A71 PolarHBondContact O-N 3.36Å; L68-V72 HydrophobicContact CD1-CG2 4.35Å; L68-V72 WeakPolarHBondContact O-CG2 3.33Å; L68-V72 PolarHBondContact O-N 3.42Å; L68-Y187 HydrophobicContact CD2-CD1 3.79Å; L68-Y187 HydrophobicContact CD2-CD2 3.89Å; L68-Y187 HydrophobicContact CD2-CE1 3.82Å; L68-Y187 HydrophobicContact CD2-CE2 3.89Å; L68-Y187 HydrophobicContact CD2-CG 3.82Å
69V94.1Very high92.9Very high4 Ų434.2 Ų34.22%0.02417%0.169CC..Hα-helixtrans-67.1-39.4-176-177.20000111P65 E66 S73 T148 L150 L186 Y187 L190P65-V69 WeakPolarHBondContact O-CG2 3.48Å; P65-V69 PolarHBondContact O-N 3.37Å; E66-V69 PolarHBondContact O-N 2.97Å; V69-S73 PolarHBondContact O-N 3.13Å; V69-T148 HydrophobicContact CG1-CG2 4.01Å; V69-L150 HydrophobicContact CB-CB 4.33Å; V69-L150 HydrophobicContact CG1-CB 4.15Å; V69-L150 HydrophobicContact CG2-CB 4.11Å; V69-L150 HydrophobicContact CG2-CD2 4.13Å; V69-L186 HydrophobicContact CG2-CD2 4.41Å; V69-Y187 HydrophobicContact CG2-CD1 4.44Å; V69-Y187 HydrophobicContact CG2-CE1 4Å; V69-L190 HydrophobicContact CB-CD1 4.23Å; V69-L190 HydrophobicContact CG1-CD1 3.99Å; V69-L190 HydrophobicContact CG2-CD1 3.72Å
70L93.7Very high92.7Very high14 Ų1434.8 Ų34.87%0.07317%0.17CC..Hα-helixtrans-64.3-44.6172.9179.760.1000111.2E66 L68 V72 S73 I74 A100 T103 C104 L144 T146E66-L70 WeakPolarHBondContact O-CB 3.36Å; E66-L70 PolarHBondContact O-N 2.83Å; L68-L70 VanDerWaalsContact C-N 3.35Å; L68-L70 PolarHBondContact O-N 2.72Å; L70-V72 VanDerWaalsContact C-N 3.32Å; L70-V72 PolarHBondContact O-N 3.25Å; L70-S73 PolarHBondContact O-N 2.96Å; L70-S73 VanDerWaalsContact O-N 3.11Å; L70-I74 HydrophobicContact CD1-CD1 4.09Å; L70-I74 HydrophobicContact CD1-CG1 4.14Å; L70-I74 HydrophobicContact CG-CD1 3.87Å; L70-I74 HydrophobicContact CG-CG1 4.36Å; L70-I74 VanDerWaalsContact O-CG1 3.3Å; L70-I74 WeakPolarHBondContact O-CG1 3.45Å; L70-I74 PolarHBondContact O-N 3.09Å; L70-A100 HydrophobicContact CB-CB 4.02Å; L70-A100 HydrophobicContact CD2-CB 4.03Å; L70-A100 HydrophobicContact CG-CB 3.94Å; L70-T103 HydrophobicContact CD2-CG2 3.97Å; L70-C104 VanDerWaalsContact CD2-SG 3.55Å; L70-L144 WeakPolarHBondContact CD1-O 3.44Å; L70-T146 HydrophobicContact CD1-CG2 4.24Å
71A96Very high92.3Very high0 Ų033.1 Ų33.10%018%0.176CC..Hα-helixtrans-57-45.1177.600000112.3T67 L68 I74 L75 F97 A100T67-A71 VanDerWaalsContact O-CB 3.24Å; T67-A71 WeakPolarHBondContact O-CB 3.36Å; T67-A71 PolarHBondContact O-N 3.19Å; L68-A71 WeakPolarHBondContact O-CB 3.31Å; L68-A71 PolarHBondContact O-N 3.36Å; A71-I74 PolarHBondContact O-N 2.85Å; A71-L75 WeakPolarHBondContact O-CB 3.27Å; A71-L75 PolarHBondContact O-N 3.15Å; A71-F97 HydrophobicContact CB-CB 4.21Å; A71-F97 HydrophobicContact CB-CD2 3.91Å; A71-A100 HydrophobicContact CB-CB 3.8Å
72V94.7Very high92Very high1 Ų132.5 Ų32.51%0.00617%0.173CC..Hα-helixtrans-64.2-42.2176.3175.50000110.8V51 L68 L70 I74 L75 D76 L190V51-V72 HydrophobicContact CG1-CG1 4.46Å; V51-V72 HydrophobicContact CG1-CG2 3.75Å; V51-V72 HydrophobicContact CG2-CG1 4.19Å; V51-V72 HydrophobicContact CG2-CG2 4.16Å; L68-V72 HydrophobicContact CD1-CG2 4.35Å; L68-V72 WeakPolarHBondContact O-CG2 3.33Å; L68-V72 PolarHBondContact O-N 3.42Å; L70-V72 VanDerWaalsContact C-N 3.32Å; L70-V72 PolarHBondContact O-N 3.25Å; V72-I74 PolarHBondContact O-N 3.43Å; V72-L75 WeakPolarHBondContact O-CB 3.38Å; V72-L75 PolarHBondContact O-N 3.25Å; V72-D76 PolarHBondContact O-N 3.49Å; V72-L190 HydrophobicContact CG1-CB 4.44Å; V72-L190 HydrophobicContact CG1-CD2 4.48Å
73S92.6Very high91.8Very high27 Ų2731.5 Ų31.519%0.18917%0.166CC..Hα-helixtrans-63.9-40.5177.6-173.60000112.9V69 L70 R77 T146V69-S73 PolarHBondContact O-N 3.13Å; L70-S73 PolarHBondContact O-N 2.96Å; L70-S73 VanDerWaalsContact O-N 3.11Å; S73-R77 WeakPolarHBondContact O-CB 3.44Å; S73-R77 VanDerWaalsContact O-CG 3.27Å; S73-R77 WeakPolarHBondContact O-CG 3.23Å; S73-R77 PolarHBondContact O-N 3.07Å; S73-T146 VanDerWaalsContact OG-CG2 3.25Å; S73-T146 WeakPolarHBondContact OG-CG2 3.23Å
74I94.1Very high91.7Very high0 Ų031 Ų310%016%0.164CC..Hα-helixtrans-63.1-45.3174.8-66.2169000109.6L70 A71 V72 R77 F78 C96 L99 A100 I136 L140 L144L70-I74 HydrophobicContact CD1-CD1 4.09Å; L70-I74 HydrophobicContact CD1-CG1 4.14Å; L70-I74 HydrophobicContact CG-CD1 3.87Å; L70-I74 HydrophobicContact CG-CG1 4.36Å; L70-I74 VanDerWaalsContact O-CG1 3.3Å; L70-I74 WeakPolarHBondContact O-CG1 3.45Å; L70-I74 PolarHBondContact O-N 3.09Å; A71-I74 PolarHBondContact O-N 2.85Å; V72-I74 PolarHBondContact O-N 3.43Å; I74-R77 PolarHBondContact O-N 3.1Å; I74-F78 VanDerWaalsContact O-CB 3.32Å; I74-F78 WeakPolarHBondContact O-CB 3.29Å; I74-F78 PolarHBondContact O-N 2.7Å; I74-C96 HydrophobicContact CB-CB 4.25Å; I74-C96 HydrophobicContact CG2-CB 3.97Å; I74-L99 HydrophobicContact CD1-CB 4.29Å; I74-A100 HydrophobicContact CD1-CB 4.43Å; I74-I136 HydrophobicContact CG2-CG2 3.61Å; I74-L140 HydrophobicContact CG2-CD1 3.76Å; I74-L144 HydrophobicContact CD1-CD2 4.01Å; I74-L144 HydrophobicContact CG1-CD2 4.19Å
75L94.5Very high91.6Very high0 Ų034.6 Ų34.60%018%0.177CC..Hα-helixtrans-57.8-50.8178.317864000111.2V51 A71 V72 R77 F78 L79 L89 I92 A93 C96V51-L75 HydrophobicContact CG2-CD2 4.13Å; A71-L75 WeakPolarHBondContact O-CB 3.27Å; A71-L75 PolarHBondContact O-N 3.15Å; V72-L75 WeakPolarHBondContact O-CB 3.38Å; V72-L75 PolarHBondContact O-N 3.25Å; L75-R77 PolarHBondContact O-N 2.75Å; L75-F78 PolarHBondContact O-N 2.92Å; L75-L79 HydrophobicContact CD1-CD1 3.78Å; L75-L79 HydrophobicContact CD1-CG 4.02Å; L75-L79 HydrophobicContact CG-CD1 3.91Å; L75-L79 HydrophobicContact CG-CG 4.41Å; L75-L79 WeakPolarHBondContact O-CB 3.46Å; L75-L79 VanDerWaalsContact O-CG 3.3Å; L75-L79 WeakPolarHBondContact O-CG 3.42Å; L75-L79 PolarHBondContact O-N 3.15Å; L75-L89 HydrophobicContact CD1-CD1 4.32Å; L75-I92 HydrophobicContact CD1-CG2 3.72Å; L75-A93 HydrophobicContact CD2-CB 4.45Å; L75-C96 HydrophobicContact CB-CB 4.36Å
76D91.7Very high91.5Very high36 Ų3635 Ų3519%0.19318%0.179CC..Hα-helixtrans-65.6-41.5-177.6-67.7-25.5000112R47 V72 F78 L79 A80R47-D76 IonicContact CZ-OD1 3.88Å; R47-D76 IonicContact CZ-OD2 3.42Å; R47-D76 IonicContact NE-OD1 2.69Å; R47-D76 PolarHBondContact NE-OD1 3.26Å; R47-D76 IonicContact NE-OD2 3.35Å; R47-D76 VanDerWaalsContact NH2-CG 3.3Å; R47-D76 IonicContact NH2-OD1 3.45Å; R47-D76 PolarHBondContact NH2-OD1 3.29Å; R47-D76 VanDerWaalsContact NH2-OD1 3.1Å; R47-D76 IonicContact NH2-OD2 3.99Å; R47-D76 PolarHBondContact NH2-OD2 3.37Å; V72-D76 PolarHBondContact O-N 3.49Å; D76-F78 VanDerWaalsContact C-N 3.27Å; D76-F78 PolarHBondContact O-N 3.24Å; D76-L79 PolarHBondContact O-N 3.01Å; D76-A80 WeakPolarHBondContact O-CB 3.35Å; D76-A80 PolarHBondContact O-N 3.14Å
77R90.4Very high91.4Very high56 Ų5640.3 Ų40.321%0.21120%0.202CC..Hα-helixtrans-62.6-35174.8-75.117662.2-167.5-3.9112.2S73 I74 L75 P81 L140 D143S73-R77 WeakPolarHBondContact O-CB 3.44Å; S73-R77 VanDerWaalsContact O-CG 3.27Å; S73-R77 WeakPolarHBondContact O-CG 3.23Å; S73-R77 PolarHBondContact O-N 3.07Å; I74-R77 PolarHBondContact O-N 3.1Å; L75-R77 PolarHBondContact O-N 2.75Å; R77-P81 WeakPolarHBondContact O-CD 3.3Å; R77-L140 HydrophobicContact CB-CD2 3.77Å; R77-D143 VanDerWaalsContact CZ-O 3.24Å; R77-D143 PolarHBondContact NH1-O 3.32Å; R77-D143 PolarHBondContact NH2-O 3.11Å; R77-D143 IonicContact NH2-OD2 2.69Å
78F91.7Very high91.3Very high11 Ų1145 Ų455%0.04822%0.22CC..Hα-helixtrans-74.3-41.1177.1-177.3-97000112.4I74 L75 D76 P81 I82 V84 I92 M132 I136 K139I74-F78 VanDerWaalsContact O-CB 3.32Å; I74-F78 WeakPolarHBondContact O-CB 3.29Å; I74-F78 PolarHBondContact O-N 2.7Å; L75-F78 PolarHBondContact O-N 2.92Å; D76-F78 VanDerWaalsContact C-N 3.27Å; D76-F78 PolarHBondContact O-N 3.24Å; F78-P81 WeakPolarHBondContact O-CD 3.49Å; F78-I82 HydrophobicContact CD1-CD1 4.22Å; F78-I82 HydrophobicContact CD2-CD1 3.61Å; F78-I82 HydrophobicContact CE1-CD1 3.95Å; F78-I82 HydrophobicContact CE2-CD1 3.31Å; F78-I82 HydrophobicContact CG-CD1 4.07Å; F78-I82 HydrophobicContact CZ-CD1 3.5Å; F78-I82 VanDerWaalsContact CZ-CD1 3.5Å; F78-I82 WeakPolarHBondContact O-CB 3.38Å; F78-I82 WeakPolarHBondContact O-CD1 3.42Å; F78-I82 WeakPolarHBondContact O-CG1 3.43Å; F78-V84 HydrophobicContact CE1-CG2 4.27Å; F78-I92 HydrophobicContact CD1-CG2 3.66Å; F78-I92 HydrophobicContact CE1-CD1 3.92Å; F78-I92 HydrophobicContact CE1-CG1 4.12Å; F78-I92 HydrophobicContact CE1-CG2 3.82Å; F78-M132 HydrophobicContact CZ-SD 4.41Å; F78-I136 HydrophobicContact CD2-CB 4.14Å; F78-I136 HydrophobicContact CD2-CG1 3.72Å; F78-I136 HydrophobicContact CD2-CG2 4.28Å; F78-I136 HydrophobicContact CE2-CB 4.28Å; F78-I136 HydrophobicContact CE2-CG1 3.71Å; F78-I136 HydrophobicContact CG-CG1 4.13Å; F78-I136 HydrophobicContact CZ-CG1 4.12Å; F78-K139 HydrophobicContact CD2-CB 4.04Å; F78-K139 HydrophobicContact CE2-CB 4Å; F78-K139 HydrophobicContact CE2-CG 4Å
79L90.5Very high91.3Very high20 Ų2045.4 Ų45.411%0.10522%0.222CC..Hα-helixtrans-74.1-27.5-179.6-67179.9000113.3K33 R47 L75 D76 I82 V84 L89K33-L79 PolarHBondContact NZ-O 3.36Å; R47-L79 HydrophobicContact CG-CD1 4.09Å; L75-L79 HydrophobicContact CD1-CD1 3.78Å; L75-L79 HydrophobicContact CD1-CG 4.02Å; L75-L79 HydrophobicContact CG-CD1 3.91Å; L75-L79 HydrophobicContact CG-CG 4.41Å; L75-L79 WeakPolarHBondContact O-CB 3.46Å; L75-L79 VanDerWaalsContact O-CG 3.3Å; L75-L79 WeakPolarHBondContact O-CG 3.42Å; L75-L79 PolarHBondContact O-N 3.15Å; D76-L79 PolarHBondContact O-N 3.01Å; L79-I82 VanDerWaalsContact O-O 3.09Å; L79-V84 HydrophobicContact CD2-CB 4.01Å; L79-V84 HydrophobicContact CD2-CG1 4.34Å; L79-V84 HydrophobicContact CD2-CG2 3.71Å; L79-L89 HydrophobicContact CD1-CD1 4.04Å; L79-L89 HydrophobicContact CD2-CD1 4.4Å
80A86.8Confident91.3Very high47 Ų4749.5 Ų49.539%0.38824%0.237SC..THydrogen-bonded Turntrans-55-54.2179.800000113.3K33 D76K33-A80 WeakPolarHBondContact CE-O 3.25Å; K33-A80 PolarHBondContact NZ-O 3.06Å; K33-A80 VanDerWaalsContact NZ-O 3.09Å; D76-A80 WeakPolarHBondContact O-CB 3.35Å; D76-A80 PolarHBondContact O-N 3.14Å
81P85.2Confident91.4Very high98 Ų9849.2 Ų49.264%0.63624%0.236SC*.THydrogen-bonded Turntrans-85.5-20.1-179.728.2-29.6000114.5R77 F78R77-P81 WeakPolarHBondContact O-CD 3.3Å; F78-P81 WeakPolarHBondContact O-CD 3.49Å
82I85.8Confident91.4Very high36 Ų3649.3 Ų49.319%0.18524%0.237CC..SBendtrans-103.7137.9-167.1-57.8172.1000110.9K33 F78 L79 V84 K139K33-I82 PolarHBondContact NZ-O 3.28Å; F78-I82 HydrophobicContact CD1-CD1 4.22Å; F78-I82 HydrophobicContact CD2-CD1 3.61Å; F78-I82 HydrophobicContact CE1-CD1 3.95Å; F78-I82 HydrophobicContact CE2-CD1 3.31Å; F78-I82 HydrophobicContact CG-CD1 4.07Å; F78-I82 HydrophobicContact CZ-CD1 3.5Å; F78-I82 VanDerWaalsContact CZ-CD1 3.5Å; F78-I82 WeakPolarHBondContact O-CB 3.38Å; F78-I82 WeakPolarHBondContact O-CD1 3.42Å; F78-I82 WeakPolarHBondContact O-CG1 3.43Å; L79-I82 VanDerWaalsContact O-O 3.09Å; I82-V84 HydrophobicContact CB-CG2 4.19Å; I82-V84 HydrophobicContact CG2-CG2 3.68Å; I82-K139 HydrophobicContact CD1-CB 4.18Å; I82-K139 HydrophobicContact CD1-CD 4.01Å; I82-K139 HydrophobicContact CD1-CG 3.77Å
83K87.4Confident91.5Very high145 Ų14549.3 Ų49.363%0.6324%0.237SC*.  trans-84.1116.2166.6-67.5-174.1177.9-176.50108.8D41D41-K83 WeakPolarHBondContact OD1-CA 3.2Å
84V89.5Confident91.7Very high10 Ų1048 Ų486%0.06123%0.228CC..  trans-116.4133.3-173.7174.10000109.4D41 V42 F78 L79 I82 I92D41-V84 CarbonylContact C-O 3.59Å; D41-V84 VanDerWaalsContact CA-O 3.3Å; D41-V84 WeakPolarHBondContact CA-O 3.44Å; D41-V84 PolarHBondContact OD1-N 2.95Å; V42-V84 HydrophobicContact CG2-CB 3.96Å; V42-V84 HydrophobicContact CG2-CG1 3.85Å; V42-V84 WeakPolarHBondContact CG2-O 3.4Å; V42-V84 PolarHBondContact N-O 3.13Å; F78-V84 HydrophobicContact CE1-CG2 4.27Å; L79-V84 HydrophobicContact CD2-CB 4.01Å; L79-V84 HydrophobicContact CD2-CG1 4.34Å; L79-V84 HydrophobicContact CD2-CG2 3.71Å; I82-V84 HydrophobicContact CB-CG2 4.19Å; I82-V84 HydrophobicContact CG2-CG2 3.68Å; V84-I92 HydrophobicContact CB-CD1 4.39Å; V84-I92 HydrophobicContact CG1-CD1 3.33Å; V84-I92 HydrophobicContact CG2-CD1 4.11Å
85R90.4Very high91.9Very high156 Ų15648 Ų4859%0.58923%0.228SC*.  trans-75.2135.6171.7-61.8-176.9-175.8168.32.1109.6K87 Y88R85-K87 HydrophobicContact CB-CG 4.16Å; R85-K87 PolarHBondContact O-N 3.23Å; R85-Y88 HydrophobicContact CB-CD2 3.94Å; R85-Y88 HydrophobicContact CB-CE2 4.23Å; R85-Y88 PolarHBondContact O-N 2.94Å
86P90.3Very high92Very high44 Ų4448 Ų4829%0.28623%0.228SC..G310 helixtrans-51.6-33.6-177.3-3035.3000115Y88 L89P86-Y88 PolarHBondContact O-N 2.99Å; P86-Y88 VanDerWaalsContact O-N 3.11Å; P86-L89 WeakPolarHBondContact O-CB 3.3Å; P86-L89 PolarHBondContact O-N 3.3Å
87K90.6Very high92.2Very high140 Ų14046.3 Ų46.361%0.60922%0.219SC*.G310 helixtrans-58.5-23.8177.469.6179.7-172.2167.20115R85R85-K87 HydrophobicContact CB-CG 4.16Å; R85-K87 PolarHBondContact O-N 3.23Å
88Y92.5Very high92.5Very high99 Ų9944.3 Ų44.339%0.38821%0.211SC..G310 helixtrans-94-8.7178.3-60.6-61.3000113R85 P86 R90 C91 I92R85-Y88 HydrophobicContact CB-CD2 3.94Å; R85-Y88 HydrophobicContact CB-CE2 4.23Å; R85-Y88 PolarHBondContact O-N 2.94Å; P86-Y88 PolarHBondContact O-N 2.99Å; P86-Y88 VanDerWaalsContact O-N 3.11Å; Y88-R90 PolarHBondContact O-N 3.41Å; Y88-C91 WeakPolarHBondContact O-CB 3.49Å; Y88-C91 PolarHBondContact O-N 3Å; Y88-C91 VanDerWaalsContact O-N 3.15Å; Y88-I92 WeakPolarHBondContact O-CD1 3.38Å; Y88-I92 WeakPolarHBondContact O-CG1 3.47Å; Y88-I92 PolarHBondContact O-N 3.23Å
89L94.4Very high92.8Very high9 Ų944.1 Ų44.15%0.04721%0.211CC..Hα-helixtrans-60.2-43.6-171.8-179.259.7000112.5V42 Q46 A50 L75 L79 P86 C91 I92 A93V42-L89 HydrophobicContact CG1-CD1 4.21Å; V42-L89 HydrophobicContact CG1-CD2 3.75Å; V42-L89 HydrophobicContact CG2-CB 4.28Å; V42-L89 HydrophobicContact CG2-CD1 4.18Å; V42-L89 HydrophobicContact CG2-CD2 4.23Å; V42-L89 HydrophobicContact CG2-CG 4.47Å; Q46-L89 HydrophobicContact CB-CD2 4.02Å; Q46-L89 WeakPolarHBondContact O-CD2 3.44Å; A50-L89 HydrophobicContact CB-CD1 4.4Å; A50-L89 HydrophobicContact CB-CD2 3.91Å; A50-L89 HydrophobicContact CB-CG 3.94Å; L75-L89 HydrophobicContact CD1-CD1 4.32Å; L79-L89 HydrophobicContact CD1-CD1 4.04Å; L79-L89 HydrophobicContact CD2-CD1 4.4Å; P86-L89 WeakPolarHBondContact O-CB 3.3Å; P86-L89 PolarHBondContact O-N 3.3Å; L89-C91 VanDerWaalsContact C-N 3.33Å; L89-C91 PolarHBondContact O-N 3.38Å; L89-I92 PolarHBondContact O-N 3.09Å; L89-A93 VanDerWaalsContact O-CB 3.3Å; L89-A93 WeakPolarHBondContact O-CB 3.41Å; L89-A93 PolarHBondContact O-N 3.27Å
90R94.7Very high93Very high91 Ų9143.1 Ų43.134%0.34321%0.206SC..Hα-helixtrans-63.3-38.3178-65.6-178.173.986.7-3112.3W53 Y88 V94 N121 C122W53-R90 HydrophobicContact CH2-CB 4.03Å; W53-R90 HydrophobicContact CH2-CG 4.45Å; W53-R90 VanDerWaalsContact CZ2-NH2 3.31Å; W53-R90 HydrophobicContact CZ3-CB 4.22Å; W53-R90 HydrophobicContact CZ3-CG 4.42Å; Y88-R90 PolarHBondContact O-N 3.41Å; R90-V94 WeakPolarHBondContact O-CG2 3.37Å; R90-V94 PolarHBondContact O-N 2.99Å; R90-V94 VanDerWaalsContact O-N 3.09Å; R90-N121 PolarHBondContact NH2-O 3.07Å; R90-C122 HydrophobicContact CB-CB 4.41Å
91C95.4Very high93.4Very high7 Ų740.9 Ų40.95%0.04719%0.187CC..Hα-helixtrans-63.9-47.3175.3-168.40000111.3Y88 L89 V94 A95 C124Y88-C91 WeakPolarHBondContact O-CB 3.49Å; Y88-C91 PolarHBondContact O-N 3Å; Y88-C91 VanDerWaalsContact O-N 3.15Å; L89-C91 VanDerWaalsContact C-N 3.33Å; L89-C91 PolarHBondContact O-N 3.38Å; C91-V94 PolarHBondContact O-N 3.16Å; C91-A95 WeakPolarHBondContact O-CB 3.45Å; C91-A95 PolarHBondContact O-N 2.96Å; C91-C124 HydrophobicContact CB-CB 4.37Å; C91-C124 WeakPolarHBondContact CB-SG 3.47Å
92I96.7Very high93.8Very high3 Ų340.5 Ų40.52%0.01518%0.175CC..Hα-helixtrans-60.5-49.9178.1-66.4159.2000110L75 F78 V84 Y88 L89 V94 A95 C96 M132 I136L75-I92 HydrophobicContact CD1-CG2 3.72Å; F78-I92 HydrophobicContact CD1-CG2 3.66Å; F78-I92 HydrophobicContact CE1-CD1 3.92Å; F78-I92 HydrophobicContact CE1-CG1 4.12Å; F78-I92 HydrophobicContact CE1-CG2 3.82Å; V84-I92 HydrophobicContact CB-CD1 4.39Å; V84-I92 HydrophobicContact CG1-CD1 3.33Å; V84-I92 HydrophobicContact CG2-CD1 4.11Å; Y88-I92 WeakPolarHBondContact O-CD1 3.38Å; Y88-I92 WeakPolarHBondContact O-CG1 3.47Å; Y88-I92 PolarHBondContact O-N 3.23Å; L89-I92 PolarHBondContact O-N 3.09Å; I92-V94 VanDerWaalsContact C-N 3.34Å; I92-V94 PolarHBondContact O-N 3.15Å; I92-A95 PolarHBondContact O-N 3.49Å; I92-A95 VanDerWaalsContact O-N 3.13Å; I92-C96 PolarHBondContact O-N 3.49Å; I92-C96 PolarHBondContact O-SG 3.3Å; I92-M132 HydrophobicContact CB-CG 4.38Å; I92-M132 HydrophobicContact CD1-CE 4.38Å; I92-M132 HydrophobicContact CD1-SD 4.42Å; I92-M132 HydrophobicContact CG1-CE 3.71Å; I92-M132 HydrophobicContact CG1-CG 3.83Å; I92-M132 HydrophobicContact CG1-SD 3.53Å; I92-M132 VanDerWaalsContact CG1-SD 3.53Å; I92-I136 HydrophobicContact CG2-CD1 4.37Å
93A96.8Very high94.1Very high0 Ų041.8 Ų41.80%019%0.185CC..Hα-helixtrans-57.5-43.5179.800000112.5W53 L54 L75 L89 C96 F97W53-A93 HydrophobicContact CE3-CB 4.49Å; W53-A93 HydrophobicContact CZ3-CB 3.88Å; L54-A93 HydrophobicContact CD1-CB 3.98Å; L54-A93 HydrophobicContact CD2-CB 4.24Å; L54-A93 HydrophobicContact CG-CB 4.19Å; L75-A93 HydrophobicContact CD2-CB 4.45Å; L89-A93 VanDerWaalsContact O-CB 3.3Å; L89-A93 WeakPolarHBondContact O-CB 3.41Å; L89-A93 PolarHBondContact O-N 3.27Å; A93-C96 PolarHBondContact O-N 2.96Å; A93-F97 WeakPolarHBondContact O-CB 3.48Å; A93-F97 PolarHBondContact O-N 3.47Å
94V96.9Very high94.2Very high0 Ų036.9 Ų36.90%017%0.169CC..Hα-helixtrans-69.1-37.3176.1173.10000112.1W53 R90 C91 I92 F97 F98 L116 C122 I129W53-V94 HydrophobicContact CH2-CG2 3.21Å; W53-V94 HydrophobicContact CZ2-CG2 3.99Å; W53-V94 HydrophobicContact CZ3-CG2 3.84Å; R90-V94 WeakPolarHBondContact O-CG2 3.37Å; R90-V94 PolarHBondContact O-N 2.99Å; R90-V94 VanDerWaalsContact O-N 3.09Å; C91-V94 PolarHBondContact O-N 3.16Å; I92-V94 VanDerWaalsContact C-N 3.34Å; I92-V94 PolarHBondContact O-N 3.15Å; V94-F97 PolarHBondContact O-N 3Å; V94-F98 WeakPolarHBondContact O-CB 3.44Å; V94-F98 PolarHBondContact O-N 3.15Å; V94-L116 HydrophobicContact CG1-CD2 3.71Å; V94-L116 HydrophobicContact CG1-CG 3.8Å; V94-C122 HydrophobicContact CG2-CB 3.88Å; V94-I129 HydrophobicContact CG1-CD1 4Å; V94-I129 HydrophobicContact CG1-CG2 4.38Å
95A97.3Very high94.3Very high0 Ų037.2 Ų37.20%017%0.17CC..Hα-helixtrans-64.5-41.7174.800000111.7C91 I92 F97 F98 L99 I129 M132 I136C91-A95 WeakPolarHBondContact O-CB 3.45Å; C91-A95 PolarHBondContact O-N 2.96Å; I92-A95 PolarHBondContact O-N 3.49Å; I92-A95 VanDerWaalsContact O-N 3.13Å; A95-F97 VanDerWaalsContact C-N 3.34Å; A95-F98 PolarHBondContact O-N 3.39Å; A95-L99 WeakPolarHBondContact O-CG 3.33Å; A95-L99 PolarHBondContact O-N 3.19Å; A95-I129 HydrophobicContact CB-CG2 4.07Å; A95-M132 HydrophobicContact CB-CB 3.87Å; A95-M132 HydrophobicContact CB-CG 3.87Å; A95-I136 HydrophobicContact CB-CD1 3.64Å
96C97.1Very high94.3Very high0 Ų035.3 Ų35.30%017%0.167CC..Hα-helixtrans-60.5-43.2172-63.60000111.6I74 L75 I92 A93 L99 A100I74-C96 HydrophobicContact CB-CB 4.25Å; I74-C96 HydrophobicContact CG2-CB 3.97Å; L75-C96 HydrophobicContact CB-CB 4.36Å; I92-C96 PolarHBondContact O-N 3.49Å; I92-C96 PolarHBondContact O-SG 3.3Å; A93-C96 PolarHBondContact O-N 2.96Å; C96-L99 PolarHBondContact O-N 2.99Å; C96-A100 WeakPolarHBondContact O-CB 3.43Å; C96-A100 PolarHBondContact O-N 3.28Å
97F96.6Very high94.1Very high0 Ų040.4 Ų40.40%019%0.192CC..Hα-helixtrans-64.5-41.2177.3-170.8-97000112.6L54 L57 H58 L61 L63 T67 A71 A93 V94 A95 A100 A101 L116L54-F97 HydrophobicContact CD2-CB 3.91Å; L54-F97 HydrophobicContact CD2-CD2 4.21Å; L54-F97 HydrophobicContact CD2-CG 4.19Å; L57-F97 HydrophobicContact CD2-CD1 4.33Å; L57-F97 HydrophobicContact CD2-CE1 4.42Å; L57-F97 HydrophobicContact CG-CE1 4.47Å; H58-F97 HydrophobicContact CB-CE2 3.94Å; H58-F97 HydrophobicContact CB-CZ 4.15Å; L61-F97 HydrophobicContact CD1-CE1 3.7Å; L61-F97 HydrophobicContact CD1-CZ 4.23Å; L63-F97 HydrophobicContact CD1-CE1 3.77Å; L63-F97 HydrophobicContact CD1-CZ 3.64Å; T67-F97 HydrophobicContact CG2-CE2 4.22Å; T67-F97 HydrophobicContact CG2-CZ 4.36Å; A71-F97 HydrophobicContact CB-CB 4.21Å; A71-F97 HydrophobicContact CB-CD2 3.91Å; A93-F97 WeakPolarHBondContact O-CB 3.48Å; A93-F97 PolarHBondContact O-N 3.47Å; V94-F97 PolarHBondContact O-N 3Å; A95-F97 VanDerWaalsContact C-N 3.34Å; F97-A100 PolarHBondContact O-N 2.92Å; F97-A101 WeakPolarHBondContact O-CB 3.4Å; F97-A101 PolarHBondContact O-N 2.92Å; F97-L116 HydrophobicContact CD1-CD1 3.98Å; F97-L116 HydrophobicContact CE1-CD1 4.2Å
98F96.5Very high94Very high14 Ų1442.5 Ų42.56%0.06120%0.204CC..Hα-helixtrans-65.2-41.8176.2-171.5-131.6000112.3V94 A95 A100 A101 K102 V110 P111 L113 L116V94-F98 WeakPolarHBondContact O-CB 3.44Å; V94-F98 PolarHBondContact O-N 3.15Å; A95-F98 PolarHBondContact O-N 3.39Å; F98-A100 VanDerWaalsContact C-N 3.35Å; F98-A101 PolarHBondContact O-N 2.81Å; F98-K102 HydrophobicContact CE1-CD 4.35Å; F98-K102 HydrophobicContact CZ-CD 4.45Å; F98-K102 WeakPolarHBondContact O-CG 3.45Å; F98-K102 PolarHBondContact O-N 2.9Å; F98-V110 HydrophobicContact CE2-CG1 4.14Å; F98-P111 WeakPolarHBondContact CE2-O 3.42Å; F98-L113 HydrophobicContact CD1-CD1 3.85Å; F98-L113 HydrophobicContact CD2-CD1 4.41Å; F98-L113 HydrophobicContact CE1-CD1 3.71Å; F98-L113 HydrophobicContact CE2-CD1 4.33Å; F98-L113 HydrophobicContact CG-CD1 4.18Å; F98-L113 HydrophobicContact CZ-CB 4.23Å; F98-L113 HydrophobicContact CZ-CD1 3.97Å; F98-L116 HydrophobicContact CB-CD2 3.58Å; F98-L116 HydrophobicContact CD2-CD2 3.65Å; F98-L116 HydrophobicContact CG-CD2 3.86Å
99L96.6Very high93.8Very high7 Ų740.9 Ų40.94%0.03721%0.206CC..Hα-helixtrans-60-45.5173.6-80.7170.9000111.6I74 A95 C96 K102 T103 E133 I136 L137 L144I74-L99 HydrophobicContact CD1-CB 4.29Å; A95-L99 WeakPolarHBondContact O-CG 3.33Å; A95-L99 PolarHBondContact O-N 3.19Å; C96-L99 PolarHBondContact O-N 2.99Å; L99-K102 PolarHBondContact O-N 3.2Å; L99-T103 PolarHBondContact O-N 3.36Å; L99-T103 PolarHBondContact O-OG1 3.07Å; L99-E133 HydrophobicContact CD1-CG 4.22Å; L99-E133 HydrophobicContact CD2-CG 3.6Å; L99-E133 WeakPolarHBondContact CD2-OE1 3.49Å; L99-E133 HydrophobicContact CG-CG 3.86Å; L99-I136 HydrophobicContact CD1-CB 4.05Å; L99-I136 HydrophobicContact CD1-CD1 4.48Å; L99-I136 HydrophobicContact CD1-CG2 3.72Å; L99-L137 HydrophobicContact CD1-CD2 4.48Å; L99-L137 HydrophobicContact CD1-CG 4.29Å; L99-L137 HydrophobicContact CD2-CD1 4Å; L99-L137 HydrophobicContact CD2-CD2 3.94Å; L99-L137 HydrophobicContact CD2-CG 3.99Å; L99-L144 HydrophobicContact CD2-CD1 4.34Å
100A95.7Very high93.7Very high0 Ų041.9 Ų41.90%021%0.213CC..Hα-helixtrans-63.3-43.6177.400000111.7T67 L70 A71 I74 C96 F97 F98 K102 T103 C104T67-A100 HydrophobicContact CG2-CB 4.18Å; T67-A100 WeakPolarHBondContact O-CB 3.2Å; L70-A100 HydrophobicContact CB-CB 4.02Å; L70-A100 HydrophobicContact CD2-CB 4.03Å; L70-A100 HydrophobicContact CG-CB 3.94Å; A71-A100 HydrophobicContact CB-CB 3.8Å; I74-A100 HydrophobicContact CD1-CB 4.43Å; C96-A100 WeakPolarHBondContact O-CB 3.43Å; C96-A100 PolarHBondContact O-N 3.28Å; F97-A100 PolarHBondContact O-N 2.92Å; F98-A100 VanDerWaalsContact C-N 3.35Å; A100-K102 VanDerWaalsContact C-N 3.34Å; A100-K102 PolarHBondContact O-N 2.73Å; A100-T103 PolarHBondContact O-N 2.9Å; A100-C104 PolarHBondContact O-N 3.13Å
101A94.8Very high93.5Very high0 Ų038.3 Ų38.30%020%0.201CC..Hα-helixtrans-58.9-45.3177.300000111.4L63 T67 F97 F98 T103 C104 E105L63-A101 HydrophobicContact CD1-CB 4.24Å; T67-A101 HydrophobicContact CG2-CB 4.03Å; F97-A101 WeakPolarHBondContact O-CB 3.4Å; F97-A101 PolarHBondContact O-N 2.92Å; F98-A101 PolarHBondContact O-N 2.81Å; A101-T103 PolarHBondContact O-N 2.85Å; A101-C104 PolarHBondContact O-N 3.31Å; A101-E105 HydrophobicContact CB-CG 4.29Å; A101-E105 WeakPolarHBondContact O-CB 3.29Å; A101-E105 WeakPolarHBondContact O-CG 3.37Å; A101-E105 PolarHBondContact O-N 2.71Å
102K94.3Very high93.4Very high89 Ų8940.5 Ų40.539%0.38722%0.217SC..Hα-helixtrans-62.3-22174.6-72.7178.1179.9176.80114.8F98 L99 A100 V110 E133F98-K102 HydrophobicContact CE1-CD 4.35Å; F98-K102 HydrophobicContact CZ-CD 4.45Å; F98-K102 WeakPolarHBondContact O-CG 3.45Å; F98-K102 PolarHBondContact O-N 2.9Å; L99-K102 PolarHBondContact O-N 3.2Å; A100-K102 VanDerWaalsContact C-N 3.34Å; A100-K102 PolarHBondContact O-N 2.73Å; K102-V110 HydrophobicContact CG-CG1 4.01Å; K102-E133 IonicContact NZ-OE1 3.83Å; K102-E133 PolarHBondContact NZ-OE1 3.41Å; K102-E133 IonicContact NZ-OE2 2.65Å; K102-E133 PolarHBondContact NZ-OE2 3.03Å
103T92Very high93.2Very high64 Ų6441.5 Ų41.539%0.39322%0.222SC..Hα-helixtrans-92.5-33.2-175.4-530000111.7L70 L99 A100 A101L70-T103 HydrophobicContact CD2-CG2 3.97Å; L99-T103 PolarHBondContact O-N 3.36Å; L99-T103 PolarHBondContact O-OG1 3.07Å; A100-T103 PolarHBondContact O-N 2.9Å; A101-T103 PolarHBondContact O-N 2.85Å
104C90.1Very high93Very high41 Ų4149.6 Ų49.628%0.27726%0.258SS..Hα-helixtrans-110.3-27.7-170.9-65.80000114.1E66 T67 L70 A100 A101E66-C104 HydrophobicContact CB-CB 4.39Å; T67-C104 WeakPolarHBondContact OG1-CB 3.44Å; L70-C104 VanDerWaalsContact CD2-SG 3.55Å; A100-C104 PolarHBondContact O-N 3.13Å; A101-C104 PolarHBondContact O-N 3.31Å
105E91.3Very high92.7Very high18 Ų1855.3 Ų55.38%0.08428%0.284CS..SBendtrans-89.1155.8-177.4-55.3-65.4150.500111.2L63 Y64 T67 A101 C109 V110L63-E105 WeakPolarHBondContact CB-OE1 3.2Å; L63-E105 HydrophobicContact CD1-CG 4.5Å; L63-E105 HydrophobicContact CD2-CG 4.17Å; Y64-E105 WeakPolarHBondContact CB-OE1 3.3Å; Y64-E105 VanDerWaalsContact CD2-CD 3.5Å; Y64-E105 WeakPolarHBondContact CD2-OE2 3.46Å; Y64-E105 PolarHBondContact N-OE1 3.11Å; T67-E105 PolarHBondContact OG1-OE1 3.08Å; A101-E105 HydrophobicContact CB-CG 4.29Å; A101-E105 WeakPolarHBondContact O-CB 3.29Å; A101-E105 WeakPolarHBondContact O-CG 3.37Å; A101-E105 PolarHBondContact O-N 2.71Å; E105-C109 HydrophobicContact CB-CB 4.22Å; E105-V110 HydrophobicContact CB-CG2 3.97Å
106E89.4Confident92.5Very high115 Ų11555.3 Ų55.354%0.53728%0.284SS..  trans-65.1145.7167.5-63.2175.1-161.500109.8E108 C109 V110E106-E108 PolarHBondContact O-N 3.44Å; E106-C109 WeakPolarHBondContact O-CA 3.41Å; E106-C109 WeakPolarHBondContact O-CB 3.39Å; E106-C109 PolarHBondContact O-N 2.93Å; E106-V110 PolarHBondContact O-N 3.38Å
107D87.3Confident92.3Very high151 Ų15156.1 Ų56.181%0.80729%0.291SS*.THydrogen-bonded Turntrans-52.5-32.2-175.5-78.5-16.9000113.5
108E87.4Confident92Very high184 Ų18459.3 Ų59.386%0.8632%0.318SS*.THydrogen-bonded Turntrans-76-22.8178.6-58.3-173.3168.600113.3E106E106-E108 PolarHBondContact O-N 3.44Å
109C88.3Confident91.7Very high65 Ų6560 Ų6044%0.43932%0.324SS..THydrogen-bonded Turntrans-91.6-16.7-180-67.90000113E105 E106 P111E105-C109 HydrophobicContact CB-CB 4.22Å; E106-C109 WeakPolarHBondContact O-CA 3.41Å; E106-C109 WeakPolarHBondContact O-CB 3.39Å; E106-C109 PolarHBondContact O-N 2.93Å; C109-P111 WeakPolarHBondContact O-CD 3.28Å
110V92.5Very high91.4Very high31 Ų3159.7 Ų59.719%0.18832%0.323CS..SBendtrans-66118.6178.1-1790000109.6F98 K102 E105 E106 S112F98-V110 HydrophobicContact CE2-CG1 4.14Å; K102-V110 HydrophobicContact CG-CG1 4.01Å; E105-V110 HydrophobicContact CB-CG2 3.97Å; E106-V110 PolarHBondContact O-N 3.38Å; V110-S112 PolarHBondContact O-N 3.39Å
111P90.6Very high91.1Very high15 Ų1565.4 Ų65.410%0.09735%0.353CS..PPolyproline II helixtrans-64.4140.9-179.826.6-34.2000110.3F98 C109 L116F98-P111 WeakPolarHBondContact CE2-O 3.42Å; C109-P111 WeakPolarHBondContact O-CD 3.28Å; P111-L116 HydrophobicContact CG-CD1 4.41Å
112S92.9Very high90.7Very high54 Ų5465.9 Ų65.938%0.37836%0.356SS..PPolyproline II helixtrans-63.8152.9174.473.40000110.2V110 K114 E115 L116V110-S112 PolarHBondContact O-N 3.39Å; S112-K114 PolarHBondContact O-N 3.13Å; S112-K114 VanDerWaalsContact O-N 3.13Å; S112-E115 VanDerWaalsContact CB-OE2 3.29Å; S112-E115 WeakPolarHBondContact CB-OE2 3.2Å; S112-E115 PolarHBondContact N-OE2 3.33Å; S112-E115 PolarHBondContact O-N 3.18Å; S112-E115 VanDerWaalsContact O-N 3.07Å; S112-E115 WeakPolarHBondContact OG-CB 3.22Å; S112-E115 WeakPolarHBondContact OG-CG 3.24Å; S112-E115 PolarHBondContact OG-N 3.01Å; S112-E115 PolarHBondContact OG-OE2 2.97Å; S112-L116 PolarHBondContact O-N 3.3Å
113L93.1Very high90.4Very high24 Ų2465.5 Ų65.513%0.12638%0.377CS..Hα-helixtrans-62.2-28.7-176.9-165.660.5000113.3F98 A117 P126 I129 L130F98-L113 HydrophobicContact CD1-CD1 3.85Å; F98-L113 HydrophobicContact CD2-CD1 4.41Å; F98-L113 HydrophobicContact CE1-CD1 3.71Å; F98-L113 HydrophobicContact CE2-CD1 4.33Å; F98-L113 HydrophobicContact CG-CD1 4.18Å; F98-L113 HydrophobicContact CZ-CB 4.23Å; F98-L113 HydrophobicContact CZ-CD1 3.97Å; L113-A117 VanDerWaalsContact O-CB 3.29Å; L113-A117 WeakPolarHBondContact O-CB 3.4Å; L113-A117 PolarHBondContact O-N 3.21Å; L113-P126 HydrophobicContact CD2-CB 3.79Å; L113-P126 VanDerWaalsContact CD2-O 3.23Å; L113-P126 WeakPolarHBondContact CD2-O 3.46Å; L113-P126 HydrophobicContact CG-CB 3.93Å; L113-I129 HydrophobicContact CD1-CB 4.01Å; L113-I129 HydrophobicContact CD1-CD1 4.13Å; L113-I129 HydrophobicContact CD1-CG2 3.65Å; L113-L130 HydrophobicContact CD2-CD1 4.07Å; L113-L130 HydrophobicContact CD2-CD2 3.68Å; L113-L130 HydrophobicContact CD2-CG 3.44Å; L113-L130 VanDerWaalsContact CD2-CG 3.44Å
114K92Very high90.4Very high170 Ų17063.7 Ų63.774%0.73937%0.367SS*.Hα-helixtrans-69.6-45.2175-68.4-178.4179.91780111.2S112 L116 A117 A118 P126S112-K114 PolarHBondContact O-N 3.13Å; S112-K114 VanDerWaalsContact O-N 3.13Å; K114-L116 VanDerWaalsContact C-N 3.35Å; K114-A117 PolarHBondContact O-N 2.97Å; K114-A118 WeakPolarHBondContact O-CB 3.15Å; K114-A118 PolarHBondContact O-N 3.25Å; K114-P126 HydrophobicContact CG-CG 4.43Å
115E91.8Very high90.6Very high119 Ų11963.8 Ų63.856%0.55637%0.368SS*.Hα-helixtrans-65.1-39.8175.9-70.8158.2167.800111.3S112 A118 S119S112-E115 VanDerWaalsContact CB-OE2 3.29Å; S112-E115 WeakPolarHBondContact CB-OE2 3.2Å; S112-E115 PolarHBondContact N-OE2 3.33Å; S112-E115 PolarHBondContact O-N 3.18Å; S112-E115 VanDerWaalsContact O-N 3.07Å; S112-E115 WeakPolarHBondContact OG-CB 3.22Å; S112-E115 WeakPolarHBondContact OG-CG 3.24Å; S112-E115 PolarHBondContact OG-N 3.01Å; S112-E115 PolarHBondContact OG-OE2 2.97Å; E115-A118 PolarHBondContact O-N 2.85Å; E115-S119 VanDerWaalsContact O-CB 3.25Å; E115-S119 WeakPolarHBondContact O-CB 3.41Å; E115-S119 PolarHBondContact O-N 3.48Å; E115-S119 PolarHBondContact O-OG 3.1Å
116L92.8Very high90.7Very high0 Ų065.3 Ų65.30%038%0.38CS..Hα-helixtrans-66.1-43.7177.2-173.963.7000111.7L57 L61 V94 F97 F98 P111 S112 K114 A118 S119 S120L57-L116 HydrophobicContact CD2-CD1 4.16Å; L61-L116 HydrophobicContact CD1-CD1 4.03Å; V94-L116 HydrophobicContact CG1-CD2 3.71Å; V94-L116 HydrophobicContact CG1-CG 3.8Å; F97-L116 HydrophobicContact CD1-CD1 3.98Å; F97-L116 HydrophobicContact CE1-CD1 4.2Å; F98-L116 HydrophobicContact CB-CD2 3.58Å; F98-L116 HydrophobicContact CD2-CD2 3.65Å; F98-L116 HydrophobicContact CG-CD2 3.86Å; P111-L116 HydrophobicContact CG-CD1 4.41Å; S112-L116 PolarHBondContact O-N 3.3Å; K114-L116 VanDerWaalsContact C-N 3.35Å; L116-A118 VanDerWaalsContact C-N 3.33Å; L116-A118 PolarHBondContact O-N 3.26Å; L116-S119 WeakPolarHBondContact CA-OG 3.29Å; L116-S119 PolarHBondContact O-OG 3.44Å; L116-S120 WeakPolarHBondContact O-CB 3.38Å; L116-S120 PolarHBondContact O-N 2.97Å; L116-S120 PolarHBondContact O-OG 3.45Å
117A92.8Very high91Very high17 Ų1763.8 Ų63.814%0.1438%0.382CS..Hα-helixtrans-61.4-42175.200000111.7L113 K114 S120 P126 I129L113-A117 VanDerWaalsContact O-CB 3.29Å; L113-A117 WeakPolarHBondContact O-CB 3.4Å; L113-A117 PolarHBondContact O-N 3.21Å; K114-A117 PolarHBondContact O-N 2.97Å; A117-S120 PolarHBondContact O-OG 3.46Å; A117-P126 HydrophobicContact CB-CG 4.37Å; A117-I129 HydrophobicContact CB-CD1 4.02Å
118A90.8Very high91.4Very high68 Ų6860.4 Ų60.456%0.56236%0.361SS*.Hα-helixtrans-69.1-45.8177.800000112.9K114 E115 L116 N121K114-A118 WeakPolarHBondContact O-CB 3.15Å; K114-A118 PolarHBondContact O-N 3.25Å; E115-A118 PolarHBondContact O-N 2.85Å; L116-A118 VanDerWaalsContact C-N 3.33Å; L116-A118 PolarHBondContact O-N 3.26Å; A118-N121 PolarHBondContact O-OD1 2.72Å
119S90.2Very high91.8Very high29 Ų2951.7 Ų51.720%0.20332%0.32CS..Hα-helixtrans-71.3-34.8-177.6570000113R60 E115 L116R60-S119 VanDerWaalsContact CZ-O 3.27Å; R60-S119 PolarHBondContact NH1-O 3.46Å; R60-S119 PolarHBondContact NH2-O 3Å; E115-S119 VanDerWaalsContact O-CB 3.25Å; E115-S119 WeakPolarHBondContact O-CB 3.41Å; E115-S119 PolarHBondContact O-N 3.48Å; E115-S119 PolarHBondContact O-OG 3.1Å; L116-S119 WeakPolarHBondContact CA-OG 3.29Å; L116-S119 PolarHBondContact O-OG 3.44Å
120S89.3Confident92.2Very high0 Ų051.4 Ų51.40%031%0.314CS..Hα-helixtrans-71.2-28-179.662.70000113.2W53 L116 A117 C122W53-S120 WeakPolarHBondContact CZ2-O 3.47Å; W53-S120 PolarHBondContact NE1-O 3.41Å; W53-S120 VanDerWaalsContact NE1-O 3.17Å; L116-S120 WeakPolarHBondContact O-CB 3.38Å; L116-S120 PolarHBondContact O-N 2.97Å; L116-S120 PolarHBondContact O-OG 3.45Å; A117-S120 PolarHBondContact O-OG 3.46Å; S120-C122 PolarHBondContact O-N 3.03Å; S120-C122 PolarHBondContact OG-N 2.91Å; S120-C122 PolarHBondContact OG-SG 3.33Å
121N89.1Confident92.3Very high119 Ų11955.6 Ų55.664%0.63633%0.327SS*.THydrogen-bonded Turntrans48.942-167.7-66.2-36.8000111.1R90 A118 G123R90-N121 PolarHBondContact NH2-O 3.07Å; A118-N121 PolarHBondContact O-OD1 2.72Å; N121-G123 VanDerWaalsContact C-N 3.28Å
122C86.6Confident92.6Very high11 Ų1155.5 Ų55.57%0.07433%0.325CS..  trans-76.6-16.1-179620000113.4W53 R90 V94 S120 C124W53-C122 HydrophobicContact CH2-CB 3.8Å; W53-C122 HydrophobicContact CZ2-CB 3.99Å; R90-C122 HydrophobicContact CB-CB 4.41Å; V94-C122 HydrophobicContact CG2-CB 3.88Å; S120-C122 PolarHBondContact O-N 3.03Å; S120-C122 PolarHBondContact OG-N 2.91Å; S120-C122 PolarHBondContact OG-SG 3.33Å; C122-C124 PolarHBondContact O-N 2.95Å
123G88.9Confident92.8Very high80 Ų8053.8 Ų53.883%0.82531%0.311SS*.  trans75.111.4-175.500000113.9N121N121-G123 VanDerWaalsContact C-N 3.28Å
124C90.6Very high93Very high26 Ų2660 Ų6018%0.17633%0.333CS..  trans-106.5144-179.1-50.10000111.1C91 C122 E128 I129C91-C124 HydrophobicContact CB-CB 4.37Å; C91-C124 WeakPolarHBondContact CB-SG 3.47Å; C122-C124 PolarHBondContact O-N 2.95Å; C124-E128 HydrophobicContact CB-CB 4.49Å; C124-I129 HydrophobicContact CB-CG1 4.16Å
125S94.1Very high93.2Very high44 Ų4455.1 Ų55.131%0.30832%0.315SS..  trans-74.2153.3172.562.10000111.6S127 E128 I129S125-S127 PolarHBondContact O-N 3.44Å; S125-S127 PolarHBondContact OG-OG 3.2Å; S125-S127 VanDerWaalsContact OG-OG 3.09Å; S125-E128 WeakPolarHBondContact CB-OE2 3.29Å; S125-E128 PolarHBondContact N-OE2 3.3Å; S125-E128 WeakPolarHBondContact O-CB 3.37Å; S125-E128 PolarHBondContact O-N 3.32Å; S125-E128 VanDerWaalsContact OG-CD 3.28Å; S125-E128 VanDerWaalsContact OG-CG 3.22Å; S125-E128 WeakPolarHBondContact OG-CG 3.39Å; S125-E128 PolarHBondContact OG-N 3.16Å; S125-E128 PolarHBondContact OG-OE2 3Å; S125-I129 PolarHBondContact O-N 3.25Å; S125-I129 VanDerWaalsContact O-N 3.13Å
126P95Very high93.4Very high50 Ų5049.5 Ų49.533%0.32529%0.288SS..Hα-helixtrans-54-36.2174.5-2936.5000113.5L113 K114 A117 I129 L130L113-P126 HydrophobicContact CD2-CB 3.79Å; L113-P126 VanDerWaalsContact CD2-O 3.23Å; L113-P126 WeakPolarHBondContact CD2-O 3.46Å; L113-P126 HydrophobicContact CG-CB 3.93Å; K114-P126 HydrophobicContact CG-CG 4.43Å; A117-P126 HydrophobicContact CB-CG 4.37Å; P126-I129 PolarHBondContact O-N 3.15Å; P126-L130 WeakPolarHBondContact O-CG 3.29Å; P126-L130 PolarHBondContact O-N 2.97Å
127S95.1Very high93.5Very high83 Ų8350.3 Ų50.358%0.5829%0.292SS*.Hα-helixtrans-66.3-36.6177.348.50000112.8S125 R131S125-S127 PolarHBondContact O-N 3.44Å; S125-S127 PolarHBondContact OG-OG 3.2Å; S125-S127 VanDerWaalsContact OG-OG 3.09Å; S127-R131 WeakPolarHBondContact O-CB 3.34Å; S127-R131 PolarHBondContact O-N 2.92Å
128E95Very high93.6Very high80 Ų8054 Ų5437%0.37431%0.31SS..Hα-helixtrans-67-40.3174.2-73.5167.8129.700111.9C124 S125 R131 M132C124-E128 HydrophobicContact CB-CB 4.49Å; S125-E128 WeakPolarHBondContact CB-OE2 3.29Å; S125-E128 PolarHBondContact N-OE2 3.3Å; S125-E128 WeakPolarHBondContact O-CB 3.37Å; S125-E128 PolarHBondContact O-N 3.32Å; S125-E128 VanDerWaalsContact OG-CD 3.28Å; S125-E128 VanDerWaalsContact OG-CG 3.22Å; S125-E128 WeakPolarHBondContact OG-CG 3.39Å; S125-E128 PolarHBondContact OG-N 3.16Å; S125-E128 PolarHBondContact OG-OE2 3Å; E128-R131 PolarHBondContact O-N 3.26Å; E128-M132 WeakPolarHBondContact O-CB 3.37Å; E128-M132 PolarHBondContact O-N 3.3Å
129I95.9Very high93.7Very high0 Ų057 Ų570%031%0.31CS..Hα-helixtrans-63.3-45.4176.6-57.4167.6000110V94 A95 L113 A117 C124 S125 P126 R131 M132 E133V94-I129 HydrophobicContact CG1-CD1 4Å; V94-I129 HydrophobicContact CG1-CG2 4.38Å; A95-I129 HydrophobicContact CB-CG2 4.07Å; L113-I129 HydrophobicContact CD1-CB 4.01Å; L113-I129 HydrophobicContact CD1-CD1 4.13Å; L113-I129 HydrophobicContact CD1-CG2 3.65Å; A117-I129 HydrophobicContact CB-CD1 4.02Å; C124-I129 HydrophobicContact CB-CG1 4.16Å; S125-I129 PolarHBondContact O-N 3.25Å; S125-I129 VanDerWaalsContact O-N 3.13Å; P126-I129 PolarHBondContact O-N 3.15Å; I129-R131 VanDerWaalsContact C-N 3.31Å; I129-R131 PolarHBondContact O-N 2.71Å; I129-M132 PolarHBondContact O-N 3.17Å; I129-M132 VanDerWaalsContact O-N 3.15Å; I129-E133 WeakPolarHBondContact O-CB 3.42Å; I129-E133 PolarHBondContact O-N 2.82Å
130L96.2Very high93.8Very high60 Ų6056.2 Ų56.231%0.31430%0.304SS..Hα-helixtrans-61.9-36.6175.3-72.9178.3000113.1L113 P126 M132 E133 R134L113-L130 HydrophobicContact CD2-CD1 4.07Å; L113-L130 HydrophobicContact CD2-CD2 3.68Å; L113-L130 HydrophobicContact CD2-CG 3.44Å; L113-L130 VanDerWaalsContact CD2-CG 3.44Å; P126-L130 WeakPolarHBondContact O-CG 3.29Å; P126-L130 PolarHBondContact O-N 2.97Å; L130-M132 VanDerWaalsContact C-N 3.34Å; L130-E133 WeakPolarHBondContact CD2-OE2 3.5Å; L130-R134 WeakPolarHBondContact O-CG 3.44Å; L130-R134 PolarHBondContact O-N 3.15Å
131R96.3Very high93.8Very high119 Ų11962.9 Ų62.945%0.44934%0.339SS..Hα-helixtrans-66.9-40.8176-172.3-179.262.174.43.7110.4S127 E128 I129 L135S127-R131 WeakPolarHBondContact O-CB 3.34Å; S127-R131 PolarHBondContact O-N 2.92Å; E128-R131 PolarHBondContact O-N 3.26Å; I129-R131 VanDerWaalsContact C-N 3.31Å; I129-R131 PolarHBondContact O-N 2.71Å; R131-L135 WeakPolarHBondContact O-CG 3.34Å; R131-L135 PolarHBondContact O-N 3.4Å
132M96.4Very high93.9Very high12 Ų1265.5 Ų65.56%0.05934%0.34CS..Hα-helixtrans-68.7-39.3178.3-166.558.170.900112.2F78 I92 A95 E128 I129 L130 R134 L135 I136F78-M132 HydrophobicContact CZ-SD 4.41Å; I92-M132 HydrophobicContact CB-CG 4.38Å; I92-M132 HydrophobicContact CD1-CE 4.38Å; I92-M132 HydrophobicContact CD1-SD 4.42Å; I92-M132 HydrophobicContact CG1-CE 3.71Å; I92-M132 HydrophobicContact CG1-CG 3.83Å; I92-M132 HydrophobicContact CG1-SD 3.53Å; I92-M132 VanDerWaalsContact CG1-SD 3.53Å; A95-M132 HydrophobicContact CB-CB 3.87Å; A95-M132 HydrophobicContact CB-CG 3.87Å; E128-M132 WeakPolarHBondContact O-CB 3.37Å; E128-M132 PolarHBondContact O-N 3.3Å; I129-M132 PolarHBondContact O-N 3.17Å; I129-M132 VanDerWaalsContact O-N 3.15Å; L130-M132 VanDerWaalsContact C-N 3.34Å; M132-R134 PolarHBondContact O-N 2.9Å; M132-L135 WeakPolarHBondContact O-CB 3.35Å; M132-L135 PolarHBondContact O-N 3.41Å; M132-L135 HydrophobicContact SD-CB 4.43Å; M132-L135 HydrophobicContact SD-CD1 4.21Å; M132-I136 HydrophobicContact CG-CD1 3.94Å; M132-I136 HydrophobicContact CG-CG1 4.43Å; M132-I136 VanDerWaalsContact O-CG1 3.31Å; M132-I136 WeakPolarHBondContact O-CG1 3.26Å; M132-I136 PolarHBondContact O-N 2.99Å
133E96.6Very high94Very high18 Ų1868 Ų688%0.08435%0.353CS..Hα-helixtrans-52.2-51.5173.7177.2178.6-145.900111.7L99 K102 I129 L130 L135 I136 L137L99-E133 HydrophobicContact CD1-CG 4.22Å; L99-E133 HydrophobicContact CD2-CG 3.6Å; L99-E133 WeakPolarHBondContact CD2-OE1 3.49Å; L99-E133 HydrophobicContact CG-CG 3.86Å; K102-E133 IonicContact NZ-OE1 3.83Å; K102-E133 PolarHBondContact NZ-OE1 3.41Å; K102-E133 IonicContact NZ-OE2 2.65Å; K102-E133 PolarHBondContact NZ-OE2 3.03Å; I129-E133 WeakPolarHBondContact O-CB 3.42Å; I129-E133 PolarHBondContact O-N 2.82Å; L130-E133 WeakPolarHBondContact CD2-OE2 3.5Å; E133-L135 VanDerWaalsContact C-N 3.35Å; E133-L135 PolarHBondContact O-N 3.34Å; E133-I136 PolarHBondContact O-N 3.05Å; E133-L137 HydrophobicContact CG-CD1 4.19Å; E133-L137 WeakPolarHBondContact O-CG 3.17Å; E133-L137 PolarHBondContact O-N 3.42Å
134R96.4Very high93.9Very high154 Ų15465.1 Ų65.158%0.58132%0.319SS*.Hα-helixtrans-61.4-43.1178-64.9175.7-143.3169.52.5112.1L130 M132 I136 L137 D138L130-R134 WeakPolarHBondContact O-CG 3.44Å; L130-R134 PolarHBondContact O-N 3.15Å; M132-R134 PolarHBondContact O-N 2.9Å; R134-I136 VanDerWaalsContact C-N 3.29Å; R134-I136 PolarHBondContact O-N 3.46Å; R134-L137 PolarHBondContact O-N 2.96Å; R134-D138 WeakPolarHBondContact O-CB 3.4Å; R134-D138 VanDerWaalsContact O-CG 3.26Å; R134-D138 PolarHBondContact O-N 3.47Å
135L96.2Very high93.4Very high69 Ų6969.2 Ų69.236%0.36134%0.335SS..Hα-helixtrans-61.8-38.1177.5-72.1170.7000112.2R131 M132 E133 K139R131-L135 WeakPolarHBondContact O-CG 3.34Å; R131-L135 PolarHBondContact O-N 3.4Å; M132-L135 WeakPolarHBondContact O-CB 3.35Å; M132-L135 PolarHBondContact O-N 3.41Å; M132-L135 HydrophobicContact SD-CB 4.43Å; M132-L135 HydrophobicContact SD-CD1 4.21Å; E133-L135 VanDerWaalsContact C-N 3.35Å; E133-L135 PolarHBondContact O-N 3.34Å; L135-K139 WeakPolarHBondContact O-CB 3.42Å; L135-K139 WeakPolarHBondContact O-CG 3.39Å; L135-K139 PolarHBondContact O-N 3.17Å; L135-K139 VanDerWaalsContact O-N 3.11Å
136I96.3Very high92.7Very high0 Ų068.1 Ų68.10%033%0.327CS..Hα-helixtrans-66.8-48.9176.6-68159.3000109.9I74 F78 I92 A95 L99 M132 E133 R134 D138 K139 L140I74-I136 HydrophobicContact CG2-CG2 3.61Å; F78-I136 HydrophobicContact CD2-CB 4.14Å; F78-I136 HydrophobicContact CD2-CG1 3.72Å; F78-I136 HydrophobicContact CD2-CG2 4.28Å; F78-I136 HydrophobicContact CE2-CB 4.28Å; F78-I136 HydrophobicContact CE2-CG1 3.71Å; F78-I136 HydrophobicContact CG-CG1 4.13Å; F78-I136 HydrophobicContact CZ-CG1 4.12Å; I92-I136 HydrophobicContact CG2-CD1 4.37Å; A95-I136 HydrophobicContact CB-CD1 3.64Å; L99-I136 HydrophobicContact CD1-CB 4.05Å; L99-I136 HydrophobicContact CD1-CD1 4.48Å; L99-I136 HydrophobicContact CD1-CG2 3.72Å; M132-I136 HydrophobicContact CG-CD1 3.94Å; M132-I136 HydrophobicContact CG-CG1 4.43Å; M132-I136 VanDerWaalsContact O-CG1 3.31Å; M132-I136 WeakPolarHBondContact O-CG1 3.26Å; M132-I136 PolarHBondContact O-N 2.99Å; E133-I136 PolarHBondContact O-N 3.05Å; R134-I136 VanDerWaalsContact C-N 3.29Å; R134-I136 PolarHBondContact O-N 3.46Å; I136-D138 PolarHBondContact O-N 3.44Å; I136-K139 PolarHBondContact O-N 3.28Å; I136-K139 VanDerWaalsContact O-N 3.14Å; I136-L140 HydrophobicContact CG2-CD1 3.82Å; I136-L140 HydrophobicContact CG2-CG 4.4Å; I136-L140 WeakPolarHBondContact O-CG 3.28Å; I136-L140 PolarHBondContact O-N 3.35Å
137L95.9Very high92.2Very high17 Ų1766.1 Ų66.19%0.08931%0.314CS..Hα-helixtrans-58.2-47.1178.5-72.9168.8000112L99 E133 R134 K139 L140 D141 W142 L144L99-L137 HydrophobicContact CD1-CD2 4.48Å; L99-L137 HydrophobicContact CD1-CG 4.29Å; L99-L137 HydrophobicContact CD2-CD1 4Å; L99-L137 HydrophobicContact CD2-CD2 3.94Å; L99-L137 HydrophobicContact CD2-CG 3.99Å; E133-L137 HydrophobicContact CG-CD1 4.19Å; E133-L137 WeakPolarHBondContact O-CG 3.17Å; E133-L137 PolarHBondContact O-N 3.42Å; R134-L137 PolarHBondContact O-N 2.96Å; L137-K139 VanDerWaalsContact C-N 3.26Å; L137-K139 PolarHBondContact O-N 2.9Å; L137-L140 CarbonylContact O-C 3.59Å; L137-L140 PolarHBondContact O-N 3.05Å; L137-D141 PolarHBondContact O-N 3.41Å; L137-D141 VanDerWaalsContact O-N 3.15Å; L137-W142 HydrophobicContact CB-CD2 4.14Å; L137-W142 HydrophobicContact CB-CE3 4.43Å; L137-W142 HydrophobicContact CB-CZ2 4.3Å; L137-W142 HydrophobicContact CD1-CE3 4.2Å; L137-W142 HydrophobicContact CD1-CH2 3.93Å; L137-W142 HydrophobicContact CD1-CZ2 4.4Å; L137-W142 HydrophobicContact CD1-CZ3 3.82Å; L137-W142 HydrophobicContact CD2-CD2 4.43Å; L137-W142 HydrophobicContact CD2-CE3 4.1Å; L137-W142 HydrophobicContact CG-CE3 4.5Å; L137-W142 PolarHBondContact O-N 3.39Å; L137-L144 HydrophobicContact CD2-CD1 3.97Å; L137-L144 HydrophobicContact CD2-CD2 4.13Å; L137-L144 HydrophobicContact CD2-CG 4.18Å
138D94.9Very high92Very high94 Ų9462.7 Ų62.750%0.50329%0.29SS..Hα-helixtrans-63.2-32.9178-71.2-17.1000112.2R134 I136 W142R134-D138 WeakPolarHBondContact O-CB 3.4Å; R134-D138 VanDerWaalsContact O-CG 3.26Å; R134-D138 PolarHBondContact O-N 3.47Å; I136-D138 PolarHBondContact O-N 3.44Å; D138-W142 PolarHBondContact OD1-NE1 2.9Å
139K93.3Very high91.8Very high131 Ų13159.2 Ų59.257%0.5728%0.275SS*.Hα-helixtrans-80.4-22.5178.8-73-68.2175.4-158.60114.1F78 I82 L135 I136 L137F78-K139 HydrophobicContact CD2-CB 4.04Å; F78-K139 HydrophobicContact CE2-CB 4Å; F78-K139 HydrophobicContact CE2-CG 4Å; I82-K139 HydrophobicContact CD1-CB 4.18Å; I82-K139 HydrophobicContact CD1-CD 4.01Å; I82-K139 HydrophobicContact CD1-CG 3.77Å; L135-K139 WeakPolarHBondContact O-CB 3.42Å; L135-K139 WeakPolarHBondContact O-CG 3.39Å; L135-K139 PolarHBondContact O-N 3.17Å; L135-K139 VanDerWaalsContact O-N 3.11Å; I136-K139 PolarHBondContact O-N 3.28Å; I136-K139 VanDerWaalsContact O-N 3.14Å; L137-K139 VanDerWaalsContact C-N 3.26Å; L137-K139 PolarHBondContact O-N 2.9Å
140L90.7Very high91.6Very high13 Ų1359.2 Ų59.27%0.06828%0.275CS..THydrogen-bonded Turntrans-98.810.1176.7-62.4-178.6000112.2I74 R77 I136 L137 W142 D143 L144I74-L140 HydrophobicContact CG2-CD1 3.76Å; R77-L140 HydrophobicContact CB-CD2 3.77Å; I136-L140 HydrophobicContact CG2-CD1 3.82Å; I136-L140 HydrophobicContact CG2-CG 4.4Å; I136-L140 WeakPolarHBondContact O-CG 3.28Å; I136-L140 PolarHBondContact O-N 3.35Å; L137-L140 CarbonylContact O-C 3.59Å; L137-L140 PolarHBondContact O-N 3.05Å; L140-W142 PolarHBondContact O-N 3.29Å; L140-W142 VanDerWaalsContact O-N 3.16Å; L140-D143 WeakPolarHBondContact O-CB 3.25Å; L140-D143 PolarHBondContact O-N 3.4Å; L140-L144 HydrophobicContact CD1-CD2 4Å
141D90.8Very high91.4Very high140 Ų14056.5 Ų56.575%0.74926%0.26SS*.THydrogen-bonded Turntrans52.134.7-176.4-59.6-51000112.6L137 D143L137-D141 PolarHBondContact O-N 3.41Å; L137-D141 VanDerWaalsContact O-N 3.15Å; D141-D143 PolarHBondContact O-N 3.17Å
142W91.1Very high91.2Very high174 Ų17450.9 Ų50.966%0.65924%0.239SC*.THydrogen-bonded Turntrans59.810.6-175.1-62.569.9000114.8L137 D138 L140 L144L137-W142 HydrophobicContact CB-CD2 4.14Å; L137-W142 HydrophobicContact CB-CE3 4.43Å; L137-W142 HydrophobicContact CB-CZ2 4.3Å; L137-W142 HydrophobicContact CD1-CE3 4.2Å; L137-W142 HydrophobicContact CD1-CH2 3.93Å; L137-W142 HydrophobicContact CD1-CZ2 4.4Å; L137-W142 HydrophobicContact CD1-CZ3 3.82Å; L137-W142 HydrophobicContact CD2-CD2 4.43Å; L137-W142 HydrophobicContact CD2-CE3 4.1Å; L137-W142 HydrophobicContact CG-CE3 4.5Å; L137-W142 PolarHBondContact O-N 3.39Å; D138-W142 PolarHBondContact OD1-NE1 2.9Å; L140-W142 PolarHBondContact O-N 3.29Å; L140-W142 VanDerWaalsContact O-N 3.16Å; W142-L144 PolarHBondContact O-N 3.23Å
143D88.6Confident91Very high65 Ų6550.3 Ų50.335%0.34824%0.237SC..  trans-90.887.6178.3-179.524.7000111.2R77 L140 D141 H145R77-D143 VanDerWaalsContact CZ-O 3.24Å; R77-D143 PolarHBondContact NH1-O 3.32Å; R77-D143 PolarHBondContact NH2-O 3.11Å; R77-D143 IonicContact NH2-OD2 2.69Å; L140-D143 WeakPolarHBondContact O-CB 3.25Å; L140-D143 PolarHBondContact O-N 3.4Å; D141-D143 PolarHBondContact O-N 3.17Å; D143-H145 PolarHBondContact OD1-N 3.49Å
144L86.9Confident90.7Very high19 Ų1949.8 Ų49.810%0.09923%0.234CC..  trans-86.2-11.6173.7-57.2-176.6000112.7L70 I74 L99 L137 L140 W142 T146L70-L144 WeakPolarHBondContact CD1-O 3.44Å; I74-L144 HydrophobicContact CD1-CD2 4.01Å; I74-L144 HydrophobicContact CG1-CD2 4.19Å; L99-L144 HydrophobicContact CD2-CD1 4.34Å; L137-L144 HydrophobicContact CD2-CD1 3.97Å; L137-L144 HydrophobicContact CD2-CD2 4.13Å; L137-L144 HydrophobicContact CD2-CG 4.18Å; L140-L144 HydrophobicContact CD1-CD2 4Å; W142-L144 PolarHBondContact O-N 3.23Å; L144-T146 PolarHBondContact O-N 2.89Å
145H79.1Confident90.4Very high112 Ų11242.5 Ų42.552%0.51921%0.207SC..  trans-79109.8-174.3-65.2-59.3000110.6D143D143-H145 PolarHBondContact OD1-N 3.49Å
146T80.5Confident90.2Very high21 Ų2139.2 Ų39.213%0.12919%0.19CC..  trans-135.3144.3176.5-173.70000110.1T26 L70 S73 L144 T148T26-T146 PolarHBondContact OG1-OG1 3.38Å; L70-T146 HydrophobicContact CD1-CG2 4.24Å; S73-T146 VanDerWaalsContact OG-CG2 3.25Å; S73-T146 WeakPolarHBondContact OG-CG2 3.23Å; L144-T146 PolarHBondContact O-N 2.89Å; T146-T148 HydrophobicContact CG2-CG2 4.23Å; T146-T148 PolarHBondContact O-N 3.4Å
147A84.6Confident89.9Confident8 Ų839.4 Ų39.47%0.06619%0.19CC..  trans-68.1120.1167.300000108.2A19 R22 E23 F152A19-A147 VanDerWaalsContact O-CB 3.27Å; A19-A147 WeakPolarHBondContact O-CB 3.47Å; R22-A147 HydrophobicContact CB-CB 3.91Å; E23-A147 HydrophobicContact CB-CB 4.05Å; A147-F152 HydrophobicContact CB-CE2 3.9Å; A147-F152 HydrophobicContact CB-CZ 4.23Å
148T89.4Confident89.5Confident10 Ų1038.8 Ų38.86%0.06119%0.188CC..  trans-95158.2-179.965.50000110.8V69 T146 L150 D151 F152V69-T148 HydrophobicContact CG1-CG2 4.01Å; T146-T148 HydrophobicContact CG2-CG2 4.23Å; T146-T148 PolarHBondContact O-N 3.4Å; T148-L150 PolarHBondContact O-N 3.46Å; T148-D151 PolarHBondContact N-OD2 3.1Å; T148-D151 WeakPolarHBondContact O-CB 3.09Å; T148-D151 PolarHBondContact O-N 2.62Å; T148-D151 VanDerWaalsContact O-N 3.13Å; T148-D151 PolarHBondContact OG1-N 3.48Å; T148-D151 PolarHBondContact OG1-OD2 3.27Å; T148-F152 VanDerWaalsContact O-CD2 3.28Å; T148-F152 WeakPolarHBondContact O-CD2 3.49Å
149A91.4Very high89.2Confident8 Ų835 Ų357%0.06617%0.167CC..Hα-helixtrans-57.8-28.2171.700000112.3L153 L186 L203 A204A149-L153 WeakPolarHBondContact O-CB 3.17Å; A149-L153 PolarHBondContact O-N 2.79Å; A149-L186 HydrophobicContact CB-CD1 3.81Å; A149-L186 HydrophobicContact CB-CD2 4.28Å; A149-L203 HydrophobicContact CB-CD2 4.17Å; A149-A204 WeakPolarHBondContact O-CB 3.29Å
150L92.3Very high88.8Confident0 Ų028.9 Ų28.90%014%0.141CC..Hα-helixtrans-67-39.7176.9-172.964.9000112.2P65 E66 V69 T148 F152 L153 H154 T183 L186P65-L150 HydrophobicContact CB-CD2 3.9Å; P65-L150 HydrophobicContact CG-CD2 4.24Å; E66-L150 HydrophobicContact CB-CD2 4.42Å; E66-L150 HydrophobicContact CG-CD2 3.96Å; V69-L150 HydrophobicContact CB-CB 4.33Å; V69-L150 HydrophobicContact CG1-CB 4.15Å; V69-L150 HydrophobicContact CG2-CB 4.11Å; V69-L150 HydrophobicContact CG2-CD2 4.13Å; T148-L150 PolarHBondContact O-N 3.46Å; L150-F152 VanDerWaalsContact C-N 3.34Å; L150-F152 PolarHBondContact O-N 3.32Å; L150-L153 HydrophobicContact CD1-CD2 4.15Å; L150-L153 WeakPolarHBondContact O-CB 3.4Å; L150-L153 PolarHBondContact O-N 3.35Å; L150-H154 WeakPolarHBondContact CD1-NE2 3.37Å; L150-H154 PolarHBondContact O-N 2.69Å; L150-T183 HydrophobicContact CD1-CG2 4.1Å; L150-L186 HydrophobicContact CB-CD2 4.03Å; L150-L186 HydrophobicContact CD1-CD2 4.04Å
151D90.9Very high88.5Confident2 Ų229.5 Ų29.51%0.01115%0.146CC..Hα-helixtrans-59.5-46.9177.1-58.8-45.2000110.9T148 H154 I155 F333 Y334T148-D151 PolarHBondContact N-OD2 3.1Å; T148-D151 WeakPolarHBondContact O-CB 3.09Å; T148-D151 PolarHBondContact O-N 2.62Å; T148-D151 VanDerWaalsContact O-N 3.13Å; T148-D151 PolarHBondContact OG1-N 3.48Å; T148-D151 PolarHBondContact OG1-OD2 3.27Å; D151-H154 PolarHBondContact O-N 3.4Å; D151-I155 WeakPolarHBondContact O-CD1 3.48Å; D151-I155 VanDerWaalsContact O-CG1 3.22Å; D151-I155 WeakPolarHBondContact O-CG1 3.32Å; D151-I155 PolarHBondContact O-N 2.84Å; D151-F333 HydrophobicContact CB-CE1 4.33Å; D151-F333 HydrophobicContact CB-CZ 4.22Å; D151-Y334 PolarHBondContact OD1-OH 3.43Å
152F92.3Very high88.1Confident1 Ų125.2 Ų25.20%0.00413%0.13CC..Hα-helixtrans-65.7-39.6176.4-67.9-73.9000112L16 A19 A20 E23 A147 T148 L150 H154 I155 F156 A204L16-F152 HydrophobicContact CD1-CD1 3.82Å; L16-F152 HydrophobicContact CD1-CE1 4.04Å; A19-F152 HydrophobicContact CB-CD1 4.23Å; A19-F152 HydrophobicContact CB-CE1 3.63Å; A19-F152 HydrophobicContact CB-CZ 3.8Å; A20-F152 HydrophobicContact CB-CE1 4.49Å; E23-F152 HydrophobicContact CB-CE2 4.17Å; E23-F152 HydrophobicContact CB-CZ 3.96Å; E23-F152 HydrophobicContact CG-CE2 4.46Å; A147-F152 HydrophobicContact CB-CE2 3.9Å; A147-F152 HydrophobicContact CB-CZ 4.23Å; T148-F152 VanDerWaalsContact O-CD2 3.28Å; T148-F152 WeakPolarHBondContact O-CD2 3.49Å; L150-F152 VanDerWaalsContact C-N 3.34Å; L150-F152 PolarHBondContact O-N 3.32Å; F152-H154 VanDerWaalsContact C-N 3.35Å; F152-H154 PolarHBondContact O-N 3.12Å; F152-I155 PolarHBondContact O-N 2.88Å; F152-F156 HydrophobicContact CB-CD2 4.22Å; F152-F156 HydrophobicContact CB-CE2 3.92Å; F152-F156 HydrophobicContact CD1-CE2 4.47Å; F152-F156 HydrophobicContact CD1-CZ 4.34Å; F152-F156 WeakPolarHBondContact O-CB 3.39Å; F152-F156 WeakPolarHBondContact O-CD2 3.45Å; F152-F156 VanDerWaalsContact O-CG 3.25Å; F152-F156 WeakPolarHBondContact O-CG 3.2Å; F152-F156 PolarHBondContact O-N 3.49Å; F152-A204 HydrophobicContact CB-CB 3.61Å
153L92.9Very high87.5Confident0 Ų019.2 Ų19.20%011%0.114CC..Hα-helixtrans-59.5-46.4177-175.471.4000110.9A149 L150 H157 L182 L186 A204 L207 I208A149-L153 WeakPolarHBondContact O-CB 3.17Å; A149-L153 PolarHBondContact O-N 2.79Å; L150-L153 HydrophobicContact CD1-CD2 4.15Å; L150-L153 WeakPolarHBondContact O-CB 3.4Å; L150-L153 PolarHBondContact O-N 3.35Å; L153-H157 WeakPolarHBondContact O-CB 3.43Å; L153-H157 PolarHBondContact O-N 3.05Å; L153-L182 HydrophobicContact CD1-CB 4.11Å; L153-L182 HydrophobicContact CD1-CD1 4.32Å; L153-L182 HydrophobicContact CD1-CD2 4.21Å; L153-L182 HydrophobicContact CD1-CG 4.48Å; L153-L182 HydrophobicContact CD2-CB 4.01Å; L153-L182 HydrophobicContact CG-CB 4.39Å; L153-L186 HydrophobicContact CD2-CB 4.34Å; L153-L186 HydrophobicContact CD2-CD2 4.05Å; L153-A204 HydrophobicContact CB-CB 4.12Å; L153-L207 HydrophobicContact CD1-CB 4.49Å; L153-I208 HydrophobicContact CD1-CD1 3.68Å; L153-I208 HydrophobicContact CD1-CG1 3.63Å
154H91.1Very high86.8Confident8 Ų819.9 Ų19.94%0.03711%0.112CC..Hα-helixtrans-62.1-45.2176.8-70.1171.4000112.3E66 L150 D151 F152 A158 I337 Y341E66-H154 IonicContact OE1-CE1 3.48Å; E66-H154 PolarHBondContact OE1-CE1 2.93Å; L150-H154 WeakPolarHBondContact CD1-NE2 3.37Å; L150-H154 PolarHBondContact O-N 2.69Å; D151-H154 PolarHBondContact O-N 3.4Å; F152-H154 VanDerWaalsContact C-N 3.35Å; F152-H154 PolarHBondContact O-N 3.12Å; H154-A158 WeakPolarHBondContact O-CB 3.32Å; H154-A158 PolarHBondContact O-N 3Å; H154-I337 HydrophobicContact CB-CD1 4.02Å; H154-I337 HydrophobicContact CB-CG2 3.81Å; H154-Y341 PolarHBondContact O-OH 3.2Å
155I89.9Confident85.9Confident1 Ų124.5 Ų24.51%0.00515%0.146CC..Hα-helixtrans-64.2-50.9179.7-68.1163.9000110.8L15 L16 A19 D151 F152 H157 A158 M159 F333L15-I155 HydrophobicContact CB-CD1 4.07Å; L15-I155 HydrophobicContact CB-CG1 4.32Å; L16-I155 HydrophobicContact CB-CG2 3.97Å; L16-I155 HydrophobicContact CD1-CG2 4.18Å; A19-I155 HydrophobicContact CB-CD1 4.1Å; D151-I155 WeakPolarHBondContact O-CD1 3.48Å; D151-I155 VanDerWaalsContact O-CG1 3.22Å; D151-I155 WeakPolarHBondContact O-CG1 3.32Å; D151-I155 PolarHBondContact O-N 2.84Å; F152-I155 PolarHBondContact O-N 2.88Å; I155-H157 PolarHBondContact O-N 3.36Å; I155-A158 PolarHBondContact O-N 3.22Å; I155-M159 HydrophobicContact CG2-CG 4.41Å; I155-M159 HydrophobicContact CG2-SD 3.69Å; I155-M159 VanDerWaalsContact O-CG 3.23Å; I155-M159 WeakPolarHBondContact O-CG 3.44Å; I155-M159 PolarHBondContact O-N 3.33Å; I155-F333 HydrophobicContact CD1-CE2 4.31Å; I155-F333 HydrophobicContact CD1-CZ 4.07Å
156F91.1Very high85.4Confident0 Ų021.1 Ų21.10%014%0.141CC..Hα-helixtrans-64.9-38.6-179.4-68.6-32.6000112.2L16 F152 M159 A160 A204 L205 I208 L226 A230 M232L16-F156 HydrophobicContact CD1-CD1 4.36Å; L16-F156 HydrophobicContact CD1-CE1 3.53Å; L16-F156 HydrophobicContact CD1-CZ 3.89Å; L16-F156 HydrophobicContact CD2-CE1 3.98Å; L16-F156 HydrophobicContact CG-CE1 4.43Å; F152-F156 HydrophobicContact CB-CD2 4.22Å; F152-F156 HydrophobicContact CB-CE2 3.92Å; F152-F156 HydrophobicContact CD1-CE2 4.47Å; F152-F156 HydrophobicContact CD1-CZ 4.34Å; F152-F156 WeakPolarHBondContact O-CB 3.39Å; F152-F156 WeakPolarHBondContact O-CD2 3.45Å; F152-F156 VanDerWaalsContact O-CG 3.25Å; F152-F156 WeakPolarHBondContact O-CG 3.2Å; F152-F156 PolarHBondContact O-N 3.49Å; F156-M159 HydrophobicContact CD1-SD 4.41Å; F156-M159 PolarHBondContact O-N 3.48Å; F156-A160 WeakPolarHBondContact O-CB 3.19Å; F156-A160 PolarHBondContact O-N 3.16Å; F156-A204 HydrophobicContact CD2-CB 4.03Å; F156-A204 HydrophobicContact CE2-CB 4.18Å; F156-L205 HydrophobicContact CD2-CB 4.2Å; F156-L205 HydrophobicContact CE2-CB 3.84Å; F156-L205 HydrophobicContact CZ-CB 4.5Å; F156-I208 HydrophobicContact CB-CD1 3.24Å; F156-I208 HydrophobicContact CD2-CD1 4.35Å; F156-I208 HydrophobicContact CG-CD1 4.31Å; F156-L226 HydrophobicContact CB-CD1 4.4Å; F156-L226 HydrophobicContact CD1-CD2 4.23Å; F156-A230 HydrophobicContact CE1-CB 3.97Å; F156-A230 HydrophobicContact CZ-CB 3.84Å; F156-M232 HydrophobicContact CZ-SD 4.5Å
157H90.3Very high85.1Confident3 Ų320.5 Ų20.51%0.01414%0.136CC..Hα-helixtrans-63.4-44.4174.8-179.3-99.9000111.6L153 I155 M159 A160 T161 H178 L179 I208 Y341L153-H157 WeakPolarHBondContact O-CB 3.43Å; L153-H157 PolarHBondContact O-N 3.05Å; I155-H157 PolarHBondContact O-N 3.36Å; H157-M159 VanDerWaalsContact C-N 3.33Å; H157-M159 PolarHBondContact O-N 3.16Å; H157-A160 PolarHBondContact O-N 2.95Å; H157-T161 WeakPolarHBondContact O-CB 3.4Å; H157-T161 WeakPolarHBondContact O-CG2 3.22Å; H157-T161 PolarHBondContact O-N 3.5Å; H157-T161 PolarHBondContact O-OG1 3.23Å; H157-H178 AromaticContact CD2-CE1 3.8Å; H157-H178 AromaticContact CD2-ND1 3.3Å; H157-H178 PolarHBondContact CD2-ND1 3.44Å; H157-H178 VanDerWaalsContact CD2-ND1 3.3Å; H157-H178 AromaticContact NE2-CE1 3.81Å; H157-H178 AromaticContact NE2-CG 3.9Å; H157-H178 AromaticContact NE2-ND1 2.9Å; H157-H178 PolarHBondContact NE2-ND1 2.95Å; H157-L179 HydrophobicContact CB-CD1 4.13Å; H157-I208 HydrophobicContact CB-CD1 4.36Å; H157-Y341 AromaticContact CE1-CE1 3.69Å; H157-Y341 AromaticContact ND1-CE1 3.44Å; H157-Y341 WeakPolarHBondContact ND1-CE1 3.3Å; H157-Y341 AromaticContact ND1-CZ 3.6Å; H157-Y341 PolarHBondContact ND1-OH 3.33Å
158A87.9Confident84.5Confident5 Ų520.7 Ų20.74%0.04114%0.136CC..Hα-helixtrans-61.3-40.5174.200000112.2L12 H154 I155 T161 A162 L340L12-A158 HydrophobicContact CD1-CB 4.04Å; L12-A158 HydrophobicContact CD2-CB 3.77Å; H154-A158 WeakPolarHBondContact O-CB 3.32Å; H154-A158 PolarHBondContact O-N 3Å; I155-A158 PolarHBondContact O-N 3.22Å; A158-T161 WeakPolarHBondContact CA-OG1 2.89Å; A158-T161 PolarHBondContact O-OG1 2.99Å; A158-A162 WeakPolarHBondContact O-CB 3.47Å; A158-A162 PolarHBondContact O-N 2.81Å; A158-L340 HydrophobicContact CB-CD1 3.75Å
159M87.4Confident83.6Confident14 Ų1426.5 Ų26.57%0.06917%0.167CC..Hα-helixtrans-68.1-40.5177.5-70.1172.271.300112.5L12 L16 I155 F156 H157 A162 S163 L226 K229L12-M159 HydrophobicContact CB-CG 3.91Å; L12-M159 HydrophobicContact CB-SD 4.48Å; L12-M159 HydrophobicContact CD1-CG 3.87Å; L12-M159 HydrophobicContact CG-CG 4.38Å; L16-M159 HydrophobicContact CD2-CE 4.39Å; L16-M159 HydrophobicContact CD2-SD 4.24Å; I155-M159 HydrophobicContact CG2-CG 4.41Å; I155-M159 HydrophobicContact CG2-SD 3.69Å; I155-M159 VanDerWaalsContact O-CG 3.23Å; I155-M159 WeakPolarHBondContact O-CG 3.44Å; I155-M159 PolarHBondContact O-N 3.33Å; F156-M159 HydrophobicContact CD1-SD 4.41Å; F156-M159 PolarHBondContact O-N 3.48Å; H157-M159 VanDerWaalsContact C-N 3.33Å; H157-M159 PolarHBondContact O-N 3.16Å; M159-A162 PolarHBondContact O-N 3.31Å; M159-S163 WeakPolarHBondContact O-CB 3.36Å; M159-S163 PolarHBondContact O-N 3.42Å; M159-S163 PolarHBondContact O-OG 2.81Å; M159-L226 HydrophobicContact CB-CD2 3.63Å; M159-L226 HydrophobicContact CE-CD2 3.89Å; M159-L226 HydrophobicContact SD-CD2 4.22Å; M159-K229 HydrophobicContact CE-CB 4.08Å; M159-K229 HydrophobicContact CE-CD 3.18Å; M159-K229 HydrophobicContact CE-CG 4.25Å
160A85.9Confident82.6Confident2 Ų230.2 Ų30.22%0.01719%0.193CC..Hα-helixtrans-64.2-47.4176.500000111.3F156 H157 A162 S163 R164F156-A160 WeakPolarHBondContact O-CB 3.19Å; F156-A160 PolarHBondContact O-N 3.16Å; H157-A160 PolarHBondContact O-N 2.95Å; A160-A162 PolarHBondContact O-N 3.07Å; A160-S163 PolarHBondContact O-N 2.62Å; A160-R164 PolarHBondContact O-N 2.92Å
161T83.3Confident81.8Confident27 Ų2733.6 Ų33.617%0.16621%0.21CC..Hα-helixtrans-66.2-33.9177.551.20000113.1H157 A158 S163 R164 F167 L168H157-T161 WeakPolarHBondContact O-CB 3.4Å; H157-T161 WeakPolarHBondContact O-CG2 3.22Å; H157-T161 PolarHBondContact O-N 3.5Å; H157-T161 PolarHBondContact O-OG1 3.23Å; A158-T161 WeakPolarHBondContact CA-OG1 2.89Å; A158-T161 PolarHBondContact O-OG1 2.99Å; T161-S163 VanDerWaalsContact C-N 3.35Å; T161-R164 CarbonylContact O-C 3.43Å; T161-F167 HydrophobicContact CG2-CE1 3.89Å; T161-F167 HydrophobicContact CG2-CZ 4.09Å; T161-L168 HydrophobicContact CG2-CD1 4.16Å
162A82.3Confident81.2Confident50 Ų5036.5 Ų36.541%0.41324%0.24SC..Hα-helixtrans-74.7-23.2173.900000113.8R9 A158 M159 A160R9-A162 PolarHBondContact NH2-O 3.43Å; A158-A162 WeakPolarHBondContact O-CB 3.47Å; A158-A162 PolarHBondContact O-N 2.81Å; M159-A162 PolarHBondContact O-N 3.31Å; A160-A162 PolarHBondContact O-N 3.07Å
163S79.4Confident80.7Confident48 Ų4838.7 Ų38.734%0.33625%0.252SS..Hα-helixtrans-84.2-29.8177.7-59.40000111.8M159 A160 T161M159-S163 WeakPolarHBondContact O-CB 3.36Å; M159-S163 PolarHBondContact O-N 3.42Å; M159-S163 PolarHBondContact O-OG 2.81Å; A160-S163 PolarHBondContact O-N 2.62Å; T161-S163 VanDerWaalsContact C-N 3.35Å
164R73.9Confident80.2Confident78 Ų7843 Ų4329%0.29428%0.275SS..  trans-139.2105178.2-169.6171.9-172.7148.48.1110.9A160 T161 F167 D218A160-R164 PolarHBondContact O-N 2.92Å; T161-R164 CarbonylContact O-C 3.43Å; R164-F167 HydrophobicContact CB-CD1 4.2Å; R164-F167 HydrophobicContact CG-CB 4.26Å; R164-F167 HydrophobicContact CG-CD1 4.42Å; R164-F167 WeakPolarHBondContact O-CD1 3.36Å; R164-D218 IonicContact CZ-OD2 3.46Å; R164-D218 IonicContact NH1-OD2 2.7Å; R164-D218 PolarHBondContact NH1-OD2 3.27Å; R164-D218 IonicContact NH2-OD2 3.35Å; R164-D218 PolarHBondContact NH2-OD2 3.33Å
165S67.6Low79.9Confident117 Ų11747.2 Ų47.282%0.81829%0.291SS*.THydrogen-bonded Turntrans-72.9128.9167.552.50000109.9
166G69.1Low79.6Confident40 Ų4050 Ų5041%0.41231%0.311SS..THydrogen-bonded Turntrans95.94168.600000117L168 D169G166-L168 PolarHBondContact O-N 3.46Å; G166-D169 VanDerWaalsContact CA-OD2 3.3Å; G166-D169 WeakPolarHBondContact CA-OD2 3.31Å; G166-D169 WeakPolarHBondContact O-CB 3.09Å; G166-D169 PolarHBondContact O-N 3.26Å
167F73.4Confident79.4Confident8 Ų854.5 Ų54.54%0.03533%0.331CS..THydrogen-bonded Turntrans-70-16.2171.980.9-95.9000112.9T161 R164 S170 L212 C215 C216T161-F167 HydrophobicContact CG2-CE1 3.89Å; T161-F167 HydrophobicContact CG2-CZ 4.09Å; R164-F167 HydrophobicContact CB-CD1 4.2Å; R164-F167 HydrophobicContact CG-CB 4.26Å; R164-F167 HydrophobicContact CG-CD1 4.42Å; R164-F167 WeakPolarHBondContact O-CD1 3.36Å; F167-S170 PolarHBondContact O-OG 3.02Å; F167-L212 HydrophobicContact CD2-CD2 4.43Å; F167-L212 HydrophobicContact CE2-CD2 3.93Å; F167-L212 HydrophobicContact CZ-CD2 4.07Å; F167-C215 HydrophobicContact CD2-CB 3.88Å; F167-C215 HydrophobicContact CE2-CB 4.28Å; F167-C216 HydrophobicContact CB-CB 4.38Å
168L72.4Confident79.4Confident12 Ų1254.6 Ų54.66%0.06333%0.332CS..THydrogen-bonded Turntrans-81.3-21.5176.4-64.4175.9000112.1T161 G166 S170 I171 G172 L173 R175 H178T161-L168 HydrophobicContact CG2-CD1 4.16Å; G166-L168 PolarHBondContact O-N 3.46Å; L168-S170 PolarHBondContact O-N 3.46Å; L168-I171 PolarHBondContact O-N 3.36Å; L168-I171 VanDerWaalsContact O-N 3.11Å; L168-G172 PolarHBondContact O-N 3.5Å; L168-L173 WeakPolarHBondContact CB-O 3.39Å; L168-L173 PolarHBondContact O-N 2.95Å; L168-R175 HydrophobicContact CD1-CB 4.28Å; L168-R175 HydrophobicContact CD1-CG 3.71Å; L168-H178 HydrophobicContact CD2-CB 3.84Å
169D70.4Confident79.4Confident132 Ų13255.2 Ų55.271%0.70633%0.334SS*.THydrogen-bonded Turntrans-65.6-30.8178.6-58.1-24.2000111.2G166 I171 G172G166-D169 VanDerWaalsContact CA-OD2 3.3Å; G166-D169 WeakPolarHBondContact CA-OD2 3.31Å; G166-D169 WeakPolarHBondContact O-CB 3.09Å; G166-D169 PolarHBondContact O-N 3.26Å; D169-I171 PolarHBondContact O-N 2.98Å; D169-G172 PolarHBondContact O-N 3.19Å
170S70.7Confident79.5Confident87 Ų8756.3 Ų56.361%0.60835%0.349SS*.THydrogen-bonded Turntrans-65.5-21.3176.160.20000113.4F167 L168 C215F167-S170 PolarHBondContact O-OG 3.02Å; L168-S170 PolarHBondContact O-N 3.46Å; S170-C215 PolarHBondContact OG-O 3.36Å
171I75Confident79.8Confident70 Ų7058.8 Ų58.836%0.35936%0.362SS..THydrogen-bonded Turntrans-108.7-8-178.4-48.5165.3000110.6L168 D169 L173 C215L168-I171 PolarHBondContact O-N 3.36Å; L168-I171 VanDerWaalsContact O-N 3.11Å; D169-I171 PolarHBondContact O-N 2.98Å; I171-L173 HydrophobicContact CB-CD1 4.45Å; I171-L173 HydrophobicContact CG2-CD1 3.6Å; I171-L173 HydrophobicContact CG2-CG 4.12Å; I171-L173 PolarHBondContact O-N 2.95Å; I171-C215 HydrophobicContact CD1-CB 3.48Å; I171-C215 VanDerWaalsContact CD1-CB 3.48Å; I171-C215 WeakPolarHBondContact CD1-SG 3.46Å
172G77.7Confident80.2Confident63 Ų6357.5 Ų57.565%0.64935%0.354SS*.THydrogen-bonded Turntrans65.523.2-178.600000114.1L168 D169L168-G172 PolarHBondContact O-N 3.5Å; D169-G172 PolarHBondContact O-N 3.19Å
173L81.9Confident80.7Confident48 Ų4855.7 Ų55.725%0.25134%0.338SS..  trans-104.4138.5179.2-76.1165.5000110.9L168 I171 Q177 H178L168-L173 WeakPolarHBondContact CB-O 3.39Å; L168-L173 PolarHBondContact O-N 2.95Å; I171-L173 HydrophobicContact CB-CD1 4.45Å; I171-L173 HydrophobicContact CG2-CD1 3.6Å; I171-L173 HydrophobicContact CG2-CG 4.12Å; I171-L173 PolarHBondContact O-N 2.95Å; L173-Q177 HydrophobicContact CD2-CB 3.8Å; L173-H178 HydrophobicContact CB-CB 4.44Å
174N83.9Confident81.3Confident90 Ų9062.2 Ų62.248%0.48136%0.355SS..  trans-74.5161169.3-67.1-32.6000111.3S176 Q177 H178N174-S176 VanDerWaalsContact C-N 3.26Å; N174-S176 PolarHBondContact O-N 3.3Å; N174-Q177 HydrophobicContact CB-CG 4.22Å; N174-Q177 PolarHBondContact O-N 2.85Å; N174-H178 PolarHBondContact O-N 3.47Å
175R83.7Confident82.2Confident96 Ų9662.6 Ų62.636%0.36236%0.356SS..Hα-helixtrans-55-42.2179.3-61.9-173.7-15689.12112.5L168 L179 Y341 D344L168-R175 HydrophobicContact CD1-CB 4.28Å; L168-R175 HydrophobicContact CD1-CG 3.71Å; R175-L179 WeakPolarHBondContact O-CB 3.25Å; R175-L179 PolarHBondContact O-N 3.19Å; R175-Y341 HydrophobicContact CB-CD1 4.25Å; R175-Y341 HydrophobicContact CB-CE1 4.48Å; R175-D344 IonicContact CZ-OD1 2.75Å; R175-D344 IonicContact CZ-OD2 3.56Å; R175-D344 IonicContact NH1-OD1 3.96Å; R175-D344 PolarHBondContact NH1-OD1 3.43Å; R175-D344 IonicContact NH1-OD2 3.73Å; R175-D344 PolarHBondContact NH1-OD2 2.9Å
176S84.6Confident83.5Confident61 Ų6157 Ų5743%0.42732%0.318SS..Hα-helixtrans-67.3-39.2178.155.80000112.6N174 G180N174-S176 VanDerWaalsContact C-N 3.26Å; N174-S176 PolarHBondContact O-N 3.3Å; S176-G180 PolarHBondContact O-N 2.92Å
177Q87.4Confident84.6Confident94 Ų9456.5 Ų56.544%0.43930%0.303SS..Hα-helixtrans-69.4-42.4177.8-66.2172.5-23.600111.4L173 N174 G180 L181L173-Q177 HydrophobicContact CD2-CB 3.8Å; N174-Q177 HydrophobicContact CB-CG 4.22Å; N174-Q177 PolarHBondContact O-N 2.85Å; Q177-G180 PolarHBondContact O-N 2.88Å; Q177-L181 PolarHBondContact O-N 2.75Å
178H88.6Confident85.5Confident5 Ų558.6 Ų58.62%0.02332%0.322CS..Hα-helixtrans-63.8-42.3175.8-176.4-106.1000111.4H157 L168 L173 N174 L181 L182H157-H178 AromaticContact CD2-CE1 3.8Å; H157-H178 AromaticContact CD2-ND1 3.3Å; H157-H178 PolarHBondContact CD2-ND1 3.44Å; H157-H178 VanDerWaalsContact CD2-ND1 3.3Å; H157-H178 AromaticContact NE2-CE1 3.81Å; H157-H178 AromaticContact NE2-CG 3.9Å; H157-H178 AromaticContact NE2-ND1 2.9Å; H157-H178 PolarHBondContact NE2-ND1 2.95Å; L168-H178 HydrophobicContact CD2-CB 3.84Å; L173-H178 HydrophobicContact CB-CB 4.44Å; N174-H178 PolarHBondContact O-N 3.47Å; H178-L181 WeakPolarHBondContact O-CB 3.33Å; H178-L181 PolarHBondContact O-N 3.31Å; H178-L182 PolarHBondContact O-N 2.8Å
179L89.6Confident86.4Confident17 Ų1758.1 Ų58.19%0.08932%0.32CS..Hα-helixtrans-62.1-43.8172.4-17271000111.7H157 R175 L181 L182 T183 Y341H157-L179 HydrophobicContact CB-CD1 4.13Å; R175-L179 WeakPolarHBondContact O-CB 3.25Å; R175-L179 PolarHBondContact O-N 3.19Å; L179-L181 VanDerWaalsContact C-N 3.29Å; L179-L181 PolarHBondContact O-N 3.33Å; L179-L182 WeakPolarHBondContact O-CB 3.43Å; L179-L182 PolarHBondContact O-N 3.38Å; L179-L182 VanDerWaalsContact O-N 3.16Å; L179-T183 WeakPolarHBondContact O-CB 3.32Å; L179-T183 PolarHBondContact O-N 3.05Å; L179-T183 PolarHBondContact O-OG1 3.48Å; L179-T183 VanDerWaalsContact O-OG1 3.04Å; L179-Y341 HydrophobicContact CB-CE1 4.25Å; L179-Y341 HydrophobicContact CD2-CD1 4.18Å; L179-Y341 HydrophobicContact CD2-CD2 4.06Å; L179-Y341 HydrophobicContact CD2-CE1 3.81Å; L179-Y341 HydrophobicContact CD2-CE2 3.68Å; L179-Y341 HydrophobicContact CD2-CG 4.31Å; L179-Y341 HydrophobicContact CG-CE1 4.46Å
180G89.6Confident87.4Confident37 Ų3753 Ų5338%0.38129%0.293SS..Hα-helixtrans-59.4-37.9176.200000113.2S176 Q177 R184S176-G180 PolarHBondContact O-N 2.92Å; Q177-G180 PolarHBondContact O-N 2.88Å; G180-R184 WeakPolarHBondContact O-CB 3.19Å; G180-R184 PolarHBondContact O-N 3.27Å
181L91.1Very high88.3Confident55 Ų5549.5 Ų49.529%0.28827%0.268SS..Hα-helixtrans-63.3-49.2172.9177.967.5000111.3Q177 H178 L179 T183 R184 R185Q177-L181 PolarHBondContact O-N 2.75Å; H178-L181 WeakPolarHBondContact O-CB 3.33Å; H178-L181 PolarHBondContact O-N 3.31Å; L179-L181 VanDerWaalsContact C-N 3.29Å; L179-L181 PolarHBondContact O-N 3.33Å; L181-T183 VanDerWaalsContact C-N 3.34Å; L181-T183 PolarHBondContact O-N 3.44Å; L181-R184 PolarHBondContact O-N 3.14Å; L181-R185 PolarHBondContact O-N 3.45Å
182L92.1Very high89Confident0 Ų047.5 Ų47.50%026%0.259CS..Hα-helixtrans-58.7-44.8177.6-78.7169.9000111.8L153 H178 L179 R184 R185 L186 I208 E211L153-L182 HydrophobicContact CD1-CB 4.11Å; L153-L182 HydrophobicContact CD1-CD1 4.32Å; L153-L182 HydrophobicContact CD1-CD2 4.21Å; L153-L182 HydrophobicContact CD1-CG 4.48Å; L153-L182 HydrophobicContact CD2-CB 4.01Å; L153-L182 HydrophobicContact CG-CB 4.39Å; H178-L182 PolarHBondContact O-N 2.8Å; L179-L182 WeakPolarHBondContact O-CB 3.43Å; L179-L182 PolarHBondContact O-N 3.38Å; L179-L182 VanDerWaalsContact O-N 3.16Å; L182-R184 VanDerWaalsContact C-N 3.32Å; L182-R184 PolarHBondContact O-N 3.38Å; L182-R185 PolarHBondContact O-N 2.89Å; L182-L186 WeakPolarHBondContact O-CB 3.39Å; L182-L186 PolarHBondContact O-N 3.47Å; L182-I208 HydrophobicContact CD1-CG1 4.21Å; L182-I208 HydrophobicContact CD2-CG1 4.27Å; L182-E211 HydrophobicContact CD2-CB 4.24Å; L182-E211 HydrophobicContact CD2-CG 3.27Å; L182-E211 HydrophobicContact CG-CG 4.17Å
183T92.8Very high89.5Confident12 Ų1247.3 Ų47.37%0.07424%0.241CC..Hα-helixtrans-62-40.3176.8-60.60000111.4P65 L150 L179 L181 L186 Y187P65-T183 HydrophobicContact CB-CG2 3.74Å; L150-T183 HydrophobicContact CD1-CG2 4.1Å; L179-T183 WeakPolarHBondContact O-CB 3.32Å; L179-T183 PolarHBondContact O-N 3.05Å; L179-T183 PolarHBondContact O-OG1 3.48Å; L179-T183 VanDerWaalsContact O-OG1 3.04Å; L181-T183 VanDerWaalsContact C-N 3.34Å; L181-T183 PolarHBondContact O-N 3.44Å; T183-L186 WeakPolarHBondContact O-CB 3.45Å; T183-L186 PolarHBondContact O-N 2.8Å; T183-Y187 HydrophobicContact CG2-CD1 4.38Å; T183-Y187 HydrophobicContact CG2-CE1 3.59Å; T183-Y187 HydrophobicContact CG2-CE2 4.3Å; T183-Y187 VanDerWaalsContact O-CD1 3.25Å; T183-Y187 WeakPolarHBondContact O-CD1 3.08Å; T183-Y187 PolarHBondContact O-N 2.98Å
184R92.1Very high89.7Confident185 Ų18547 Ų4770%0.69825%0.246SC*.Hα-helixtrans-66.4-38.7176.3-159.5-177.8-64.5168.9-0.7112.2G180 L181 L182 L186 Y187 A188G180-R184 WeakPolarHBondContact O-CB 3.19Å; G180-R184 PolarHBondContact O-N 3.27Å; L181-R184 PolarHBondContact O-N 3.14Å; L182-R184 VanDerWaalsContact C-N 3.32Å; L182-R184 PolarHBondContact O-N 3.38Å; R184-L186 VanDerWaalsContact C-N 3.34Å; R184-Y187 PolarHBondContact O-N 2.96Å; R184-A188 PolarHBondContact O-N 2.95Å
185R92.8Very high89.7Confident85 Ų8543 Ų4332%0.32122%0.224SC..Hα-helixtrans-65.7-38172.4-69.3-174.5-175-144.26.6111.6L181 L182 Y187 A188 C189 L207 E211 L248L181-R185 PolarHBondContact O-N 3.45Å; L182-R185 PolarHBondContact O-N 2.89Å; R185-Y187 VanDerWaalsContact C-N 3.32Å; R185-Y187 PolarHBondContact O-N 2.84Å; R185-A188 PolarHBondContact O-N 3.18Å; R185-C189 PolarHBondContact O-N 2.87Å; R185-C189 PolarHBondContact O-SG 3.31Å; R185-L207 HydrophobicContact CB-CD2 4.03Å; R185-E211 WeakPolarHBondContact CD-OE1 3.47Å; R185-E211 VanDerWaalsContact CZ-CD 3.41Å; R185-E211 IonicContact CZ-OE1 3.83Å; R185-E211 IonicContact CZ-OE2 2.93Å; R185-E211 IonicContact NE-OE1 3.98Å; R185-E211 PolarHBondContact NE-OE1 3.17Å; R185-E211 IonicContact NE-OE2 3.22Å; R185-E211 IonicContact NH1-OE1 2.83Å; R185-E211 PolarHBondContact NH1-OE1 3.3Å; R185-E211 IonicContact NH1-OE2 2.58Å; R185-E211 PolarHBondContact NH1-OE2 3.45Å; R185-E211 IonicContact NH2-OE1 2.7Å; R185-E211 IonicContact NH2-OE2 3.7Å; R185-E211 PolarHBondContact NH2-OE2 2.89Å; R185-L248 HydrophobicContact CB-CD2 4.14Å; R185-L248 HydrophobicContact CG-CD2 4.41Å
186L94.1Very high89.5Confident0 Ų039.8 Ų39.80%021%0.213CC..Hα-helixtrans-59.9-41.8173.7178.263.5000111.2V69 A149 L150 L153 L182 T183 R184 A188 C189 L190 L203 L207V69-L186 HydrophobicContact CG2-CD2 4.41Å; A149-L186 HydrophobicContact CB-CD1 3.81Å; A149-L186 HydrophobicContact CB-CD2 4.28Å; L150-L186 HydrophobicContact CB-CD2 4.03Å; L150-L186 HydrophobicContact CD1-CD2 4.04Å; L153-L186 HydrophobicContact CD2-CB 4.34Å; L153-L186 HydrophobicContact CD2-CD2 4.05Å; L182-L186 WeakPolarHBondContact O-CB 3.39Å; L182-L186 PolarHBondContact O-N 3.47Å; T183-L186 WeakPolarHBondContact O-CB 3.45Å; T183-L186 PolarHBondContact O-N 2.8Å; R184-L186 VanDerWaalsContact C-N 3.34Å; L186-A188 VanDerWaalsContact C-N 3.33Å; L186-A188 PolarHBondContact O-N 3.18Å; L186-C189 CarbonylContact O-C 3.39Å; L186-C189 WeakPolarHBondContact O-CB 3.37Å; L186-C189 PolarHBondContact O-N 3.01Å; L186-C189 VanDerWaalsContact O-N 3.12Å; L186-L190 HydrophobicContact CD1-CG 4.22Å; L186-L190 HydrophobicContact CG-CD1 4.13Å; L186-L190 HydrophobicContact CG-CG 4.27Å; L186-L190 WeakPolarHBondContact O-CG 3.44Å; L186-L190 PolarHBondContact O-N 3.4Å; L186-L203 HydrophobicContact CD1-CD2 3.76Å; L186-L203 HydrophobicContact CD1-CG 4.13Å; L186-L207 HydrophobicContact CB-CD1 3.92Å; L186-L207 HydrophobicContact CD1-CD1 3.75Å; L186-L207 HydrophobicContact CG-CD1 4.44Å
187Y93.1Very high89.3Confident29 Ų2942.7 Ų42.711%0.11422%0.22CC..Hα-helixtrans-61-41.3176.7-61.9-12.7000113T55 P65 L68 V69 T183 R184 R185 C189 L190 A191T55-Y187 HydrophobicContact CG2-CD2 4.04Å; T55-Y187 HydrophobicContact CG2-CG 4.42Å; P65-Y187 WeakPolarHBondContact CA-OH 3.48Å; P65-Y187 WeakPolarHBondContact CB-OH 3.34Å; L68-Y187 HydrophobicContact CD2-CD1 3.79Å; L68-Y187 HydrophobicContact CD2-CD2 3.89Å; L68-Y187 HydrophobicContact CD2-CE1 3.82Å; L68-Y187 HydrophobicContact CD2-CE2 3.89Å; L68-Y187 HydrophobicContact CD2-CG 3.82Å; V69-Y187 HydrophobicContact CG2-CD1 4.44Å; V69-Y187 HydrophobicContact CG2-CE1 4Å; T183-Y187 HydrophobicContact CG2-CD1 4.38Å; T183-Y187 HydrophobicContact CG2-CE1 3.59Å; T183-Y187 HydrophobicContact CG2-CE2 4.3Å; T183-Y187 VanDerWaalsContact O-CD1 3.25Å; T183-Y187 WeakPolarHBondContact O-CD1 3.08Å; T183-Y187 PolarHBondContact O-N 2.98Å; R184-Y187 PolarHBondContact O-N 2.96Å; R185-Y187 VanDerWaalsContact C-N 3.32Å; R185-Y187 PolarHBondContact O-N 2.84Å; Y187-C189 VanDerWaalsContact C-N 3.29Å; Y187-C189 PolarHBondContact O-N 3.06Å; Y187-L190 PolarHBondContact O-N 3.32Å; Y187-A191 PolarHBondContact O-N 3.12Å
188A91.4Very high89.2Confident53 Ų5339.7 Ų39.744%0.43821%0.207SC..Hα-helixtrans-61.7-40.8174.600000111.2R184 R185 L186 A191 L248R184-A188 PolarHBondContact O-N 2.95Å; R185-A188 PolarHBondContact O-N 3.18Å; L186-A188 VanDerWaalsContact C-N 3.33Å; L186-A188 PolarHBondContact O-N 3.18Å; A188-A191 WeakPolarHBondContact O-CB 3.25Å; A188-A191 PolarHBondContact O-N 3.04Å; A188-L248 HydrophobicContact CB-CD2 4.18Å
189C91.6Very high89.2Confident1 Ų145.2 Ų45.21%0.00723%0.228CC..Hα-helixtrans-67.5-39.7176.6-68.50000113R185 L186 Y187 A191 D192 L195 L203R185-C189 PolarHBondContact O-N 2.87Å; R185-C189 PolarHBondContact O-SG 3.31Å; L186-C189 CarbonylContact O-C 3.39Å; L186-C189 WeakPolarHBondContact O-CB 3.37Å; L186-C189 PolarHBondContact O-N 3.01Å; L186-C189 VanDerWaalsContact O-N 3.12Å; Y187-C189 VanDerWaalsContact C-N 3.29Å; Y187-C189 PolarHBondContact O-N 3.06Å; C189-A191 PolarHBondContact O-N 3.46Å; C189-D192 PolarHBondContact O-N 2.73Å; C189-L195 HydrophobicContact CB-CD1 3.5Å; C189-L203 HydrophobicContact CB-CD1 4.05Å; C189-L203 HydrophobicContact CB-CD2 4.45Å
190L91.3Very high89.2Confident26 Ų2645 Ų4514%0.13623%0.23CC..Hα-helixtrans-63.9-25.4176.8-72.8174.4000112.1R47 V69 V72 L186 Y187 D192R47-L190 PolarHBondContact NH1-O 2.92Å; R47-L190 PolarHBondContact NH2-O 2.99Å; V69-L190 HydrophobicContact CB-CD1 4.23Å; V69-L190 HydrophobicContact CG1-CD1 3.99Å; V69-L190 HydrophobicContact CG2-CD1 3.72Å; V72-L190 HydrophobicContact CG1-CB 4.44Å; V72-L190 HydrophobicContact CG1-CD2 4.48Å; L186-L190 HydrophobicContact CD1-CG 4.22Å; L186-L190 HydrophobicContact CG-CD1 4.13Å; L186-L190 HydrophobicContact CG-CG 4.27Å; L186-L190 WeakPolarHBondContact O-CG 3.44Å; L186-L190 PolarHBondContact O-N 3.4Å; Y187-L190 PolarHBondContact O-N 3.32Å; L190-D192 VanDerWaalsContact C-N 3.3Å
191A91Very high89.3Confident12 Ų1243.7 Ų43.710%0.09921%0.214CC..THydrogen-bonded Turntrans-80.8-3.2175.200000114.2D48 V51 R52 Y187 A188 C189D48-A191 WeakPolarHBondContact CB-O 3.35Å; D48-A191 VanDerWaalsContact OD1-O 3.07Å; V51-A191 HydrophobicContact CB-CB 4.49Å; V51-A191 HydrophobicContact CG1-CB 4.01Å; R52-A191 HydrophobicContact CG-CB 3.8Å; Y187-A191 PolarHBondContact O-N 3.12Å; A188-A191 WeakPolarHBondContact O-CB 3.25Å; A188-A191 PolarHBondContact O-N 3.04Å; C189-A191 PolarHBondContact O-N 3.46Å
192D89.8Confident89.3Confident29 Ų2941.5 Ų41.516%0.15520%0.204CC..  trans-106.3114179-171.8-10.8000111.4C189 L190 A194 L195 S247C189-D192 PolarHBondContact O-N 2.73Å; L190-D192 VanDerWaalsContact C-N 3.3Å; D192-A194 PolarHBondContact O-N 3.44Å; D192-A194 VanDerWaalsContact O-N 3.13Å; D192-A194 VanDerWaalsContact OD1-CB 3.29Å; D192-A194 WeakPolarHBondContact OD1-CB 3.28Å; D192-A194 PolarHBondContact OD1-N 3.34Å; D192-L195 HydrophobicContact CB-CD1 4.29Å; D192-L195 HydrophobicContact CB-CG 4.32Å; D192-L195 PolarHBondContact O-N 3.01Å; D192-S247 WeakPolarHBondContact CB-OG 3.45Å; D192-S247 VanDerWaalsContact OD2-CB 3.23Å; D192-S247 WeakPolarHBondContact OD2-CB 3.39Å; D192-S247 PolarHBondContact OD2-OG 3.41Å
193H86.3Confident89.3Confident58 Ų5841.9 Ų41.927%0.26921%0.206SC..G310 helixtrans-58.8-24.9178.467.2-84000113.8P44 D48 L195 M196P44-H193 HydrophobicContact CB-CB 3.68Å; P44-H193 VanDerWaalsContact CB-CG 3.49Å; D48-H193 WeakPolarHBondContact OD1-CB 3.49Å; D48-H193 PolarHBondContact OD1-N 3.26Å; D48-H193 IonicContact OD1-ND1 3.18Å; D48-H193 IonicContact OD2-CE1 3.58Å; D48-H193 IonicContact OD2-CG 2.72Å; D48-H193 PolarHBondContact OD2-N 3.32Å; D48-H193 IonicContact OD2-ND1 3.19Å; D48-H193 PolarHBondContact OD2-ND1 3Å; H193-L195 PolarHBondContact O-N 3.35Å; H193-M196 HydrophobicContact CB-CE 4.13Å; H193-M196 WeakPolarHBondContact O-CB 3.25Å; H193-M196 PolarHBondContact O-N 3.16Å
194A85.9Confident89.4Confident43 Ų4341.3 Ų41.336%0.35520%0.202SC..G310 helixtrans-63.6-26.4178.400000112D192D192-A194 PolarHBondContact O-N 3.44Å; D192-A194 VanDerWaalsContact O-N 3.13Å; D192-A194 VanDerWaalsContact OD1-CB 3.29Å; D192-A194 WeakPolarHBondContact OD1-CB 3.28Å; D192-A194 PolarHBondContact OD1-N 3.34Å
195L85.9Confident89.5Confident6 Ų632.5 Ų32.53%0.03117%0.169CC..G310 helixtrans-91.3-8.3-178.4-56.2179.8000113.2C189 D192 H193 Q197 L198 L203 L243 V244C189-L195 HydrophobicContact CB-CD1 3.5Å; D192-L195 HydrophobicContact CB-CD1 4.29Å; D192-L195 HydrophobicContact CB-CG 4.32Å; D192-L195 PolarHBondContact O-N 3.01Å; H193-L195 PolarHBondContact O-N 3.35Å; L195-Q197 PolarHBondContact O-N 3.44Å; L195-Q197 VanDerWaalsContact O-N 3.14Å; L195-L198 HydrophobicContact CB-CD1 4.42Å; L195-L198 HydrophobicContact CD2-CD1 3.79Å; L195-L198 WeakPolarHBondContact O-CB 3.27Å; L195-L198 PolarHBondContact O-N 2.94Å; L195-L203 HydrophobicContact CD1-CD1 4.21Å; L195-L243 HydrophobicContact CD2-CB 3.78Å; L195-V244 HydrophobicContact CD1-CG2 4.25Å; L195-V244 HydrophobicContact CD2-CG2 4.01Å
196M77.9Confident89.5Confident27 Ų2728.5 Ų28.513%0.13315%0.153CC..THydrogen-bonded Turntrans-62.7-20.7177.4-70.8-165-44.500113.9Y30 R47 H193Y30-M196 HydrophobicContact CD1-CE 4.04Å; Y30-M196 HydrophobicContact CD2-CE 3.86Å; Y30-M196 HydrophobicContact CE1-CE 3.63Å; Y30-M196 HydrophobicContact CE2-CE 3.45Å; Y30-M196 VanDerWaalsContact CE2-CE 3.45Å; Y30-M196 HydrophobicContact CG-CB 4.47Å; Y30-M196 HydrophobicContact CG-CE 4.14Å; R47-M196 VanDerWaalsContact CZ-SD 3.59Å; R47-M196 PolarHBondContact NE-SD 2.84Å; R47-M196 VanDerWaalsContact NE-SD 3.37Å; H193-M196 HydrophobicContact CB-CE 4.13Å; H193-M196 WeakPolarHBondContact O-CB 3.25Å; H193-M196 PolarHBondContact O-N 3.16Å
197Q81.3Confident89.5Confident123 Ų12328.5 Ų28.558%0.57515%0.153SC*.THydrogen-bonded Turntrans-77.1-14.2176.8-64.6-174.8-0.300112.8W27 Y30 L195W27-Q197 WeakPolarHBondContact CZ2-O 3.32Å; Y30-Q197 HydrophobicContact CD1-CG 4.41Å; L195-Q197 PolarHBondContact O-N 3.44Å; L195-Q197 VanDerWaalsContact O-N 3.14Å
198L85.5Confident89.4Confident31 Ų3127.3 Ų27.316%0.16215%0.149CC..SBendtrans-84.5139.2179.7-58.8176.7000110.1W27 L195 V202 L203 V244W27-L198 WeakPolarHBondContact CH2-O 3.45Å; W27-L198 WeakPolarHBondContact CZ3-O 3.45Å; L195-L198 HydrophobicContact CB-CD1 4.42Å; L195-L198 HydrophobicContact CD2-CD1 3.79Å; L195-L198 WeakPolarHBondContact O-CB 3.27Å; L195-L198 PolarHBondContact O-N 2.94Å; L198-V202 HydrophobicContact CD2-CG1 4.22Å; L198-L203 HydrophobicContact CD1-CD1 4.45Å; L198-V244 HydrophobicContact CD1-CG2 4.41Å
199R88.2Confident89.5Confident121 Ų12124.8 Ų24.846%0.45713%0.128SC..  trans-60.5149.5166.2-69.5-172.8-163.7138.83.8109.7E23 W27 S201 V202 L203E23-R199 WeakPolarHBondContact OE1-CB 3.01Å; W27-R199 HydrophobicContact CD2-CG 3.82Å; W27-R199 HydrophobicContact CE3-CG 4.14Å; W27-R199 HydrophobicContact CG-CG 4.31Å; W27-R199 HydrophobicContact CH2-CG 4.29Å; W27-R199 HydrophobicContact CZ2-CG 3.96Å; W27-R199 HydrophobicContact CZ3-CG 4.37Å; R199-S201 PolarHBondContact O-N 3.44Å; R199-V202 HydrophobicContact CB-CB 4.34Å; R199-V202 HydrophobicContact CB-CG2 3.94Å; R199-V202 PolarHBondContact O-N 3.42Å; R199-L203 PolarHBondContact O-N 3.36Å
200G88.9Confident89.5Confident13 Ų1326 Ų2613%0.13414%0.135CC..Hα-helixtrans-59-37.8176.900000112E23 L203 A204E23-G200 WeakPolarHBondContact OE1-CA 3.49Å; E23-G200 PolarHBondContact OE1-N 3.32Å; G200-L203 PolarHBondContact O-N 2.98Å; G200-A204 VanDerWaalsContact O-CB 3.29Å; G200-A204 WeakPolarHBondContact O-CB 3.23Å; G200-A204 PolarHBondContact O-N 3.35Å
201S91.8Very high89.4Confident8 Ų825.1 Ų25.16%0.05613%0.13CC..Hα-helixtrans-59.6-44.4172.355.10000112.9E23 R199 L205E23-S201 PolarHBondContact OE1-N 2.8Å; E23-S201 PolarHBondContact OE1-OG 3.37Å; E23-S201 VanDerWaalsContact OE2-CB 3.29Å; E23-S201 WeakPolarHBondContact OE2-CB 3.3Å; E23-S201 PolarHBondContact OE2-OG 3.18Å; R199-S201 PolarHBondContact O-N 3.44Å; S201-L205 WeakPolarHBondContact O-CB 3.28Å; S201-L205 PolarHBondContact O-N 3.19Å
202V91.9Very high89.2Confident10 Ų1024.6 Ų24.66%0.06113%0.125CC..Hα-helixtrans-66.3-45.7178.1-178.90000111.4L198 R199 L205 A206 M232 S240L198-V202 HydrophobicContact CD2-CG1 4.22Å; R199-V202 HydrophobicContact CB-CB 4.34Å; R199-V202 HydrophobicContact CB-CG2 3.94Å; R199-V202 PolarHBondContact O-N 3.42Å; V202-L205 PolarHBondContact O-N 3.31Å; V202-A206 VanDerWaalsContact O-CB 3.26Å; V202-A206 WeakPolarHBondContact O-CB 3.38Å; V202-A206 PolarHBondContact O-N 2.95Å; V202-M232 HydrophobicContact CB-CE 3.84Å; V202-M232 HydrophobicContact CG1-CE 4.39Å; V202-M232 HydrophobicContact CG2-CE 3.39Å; V202-S240 WeakPolarHBondContact CG1-OG 3.3Å
203L92.7Very high89.3Confident8 Ų827.8 Ų27.84%0.04214%0.139CC..Hα-helixtrans-61.7-46.2178.5179.859.6000111.7A149 L186 C189 L195 L198 R199 G200 A206 L207 V244A149-L203 HydrophobicContact CB-CD2 4.17Å; L186-L203 HydrophobicContact CD1-CD2 3.76Å; L186-L203 HydrophobicContact CD1-CG 4.13Å; C189-L203 HydrophobicContact CB-CD1 4.05Å; C189-L203 HydrophobicContact CB-CD2 4.45Å; L195-L203 HydrophobicContact CD1-CD1 4.21Å; L198-L203 HydrophobicContact CD1-CD1 4.45Å; R199-L203 PolarHBondContact O-N 3.36Å; G200-L203 PolarHBondContact O-N 2.98Å; L203-A206 PolarHBondContact O-N 3.22Å; L203-L207 HydrophobicContact CD1-CD1 4.46Å; L203-L207 HydrophobicContact CG-CD1 4.38Å; L203-L207 WeakPolarHBondContact O-CG 3.49Å; L203-L207 PolarHBondContact O-N 3.35Å; L203-V244 HydrophobicContact CD1-CG2 3.59Å
204A94.1Very high89.2Confident0 Ų030.1 Ų30.10%016%0.158CC..Hα-helixtrans-63.8-44.5179.200000112.5A149 F152 L153 F156 G200 L207 I208A149-A204 WeakPolarHBondContact O-CB 3.29Å; F152-A204 HydrophobicContact CB-CB 3.61Å; L153-A204 HydrophobicContact CB-CB 4.12Å; F156-A204 HydrophobicContact CD2-CB 4.03Å; F156-A204 HydrophobicContact CE2-CB 4.18Å; G200-A204 VanDerWaalsContact O-CB 3.29Å; G200-A204 WeakPolarHBondContact O-CB 3.23Å; G200-A204 PolarHBondContact O-N 3.35Å; A204-L207 PolarHBondContact O-N 2.61Å; A204-I208 PolarHBondContact O-N 3.47Å
205L93.4Very high89Confident0 Ų028.6 Ų28.60%015%0.145CC..Hα-helixtrans-66.4-39.5177.8-175.759.8000111.5F156 S201 V202 I208 S209 L226 L227 M232 L237F156-L205 HydrophobicContact CD2-CB 4.2Å; F156-L205 HydrophobicContact CE2-CB 3.84Å; F156-L205 HydrophobicContact CZ-CB 4.5Å; S201-L205 WeakPolarHBondContact O-CB 3.28Å; S201-L205 PolarHBondContact O-N 3.19Å; V202-L205 PolarHBondContact O-N 3.31Å; L205-I208 PolarHBondContact O-N 3Å; L205-S209 VanDerWaalsContact O-CB 3.28Å; L205-S209 WeakPolarHBondContact O-CB 3.47Å; L205-S209 PolarHBondContact O-N 3.05Å; L205-S209 PolarHBondContact O-OG 2.84Å; L205-L226 HydrophobicContact CD1-CB 3.71Å; L205-L226 HydrophobicContact CD1-CD1 4.09Å; L205-L227 HydrophobicContact CD2-CB 3.99Å; L205-L227 HydrophobicContact CD2-CD1 4.21Å; L205-M232 HydrophobicContact CB-CE 4.2Å; L205-M232 HydrophobicContact CB-SD 4.5Å; L205-M232 HydrophobicContact CD2-CE 3.84Å; L205-M232 HydrophobicContact CD2-SD 3.69Å; L205-L237 HydrophobicContact CB-CD1 4.3Å; L205-L237 HydrophobicContact CD2-CD1 4Å; L205-L237 HydrophobicContact CD2-CD2 4.18Å; L205-L237 HydrophobicContact CG-CD1 3.85Å; L205-L237 HydrophobicContact CG-CD2 4.47Å
206A93.9Very high88.7Confident0 Ų028.8 Ų28.80%015%0.146CC..Hα-helixtrans-60.2-48.3175.600000111.4V202 L203 I208 S209 L210 L237 R241 V244V202-A206 VanDerWaalsContact O-CB 3.26Å; V202-A206 WeakPolarHBondContact O-CB 3.38Å; V202-A206 PolarHBondContact O-N 2.95Å; L203-A206 PolarHBondContact O-N 3.22Å; A206-I208 PolarHBondContact O-N 3.23Å; A206-S209 WeakPolarHBondContact CA-OG 3.41Å; A206-S209 PolarHBondContact O-N 2.72Å; A206-S209 PolarHBondContact O-OG 2.82Å; A206-L210 WeakPolarHBondContact O-CG 3.4Å; A206-L210 PolarHBondContact O-N 3.24Å; A206-L237 HydrophobicContact CB-CD1 4.39Å; A206-R241 HydrophobicContact CB-CG 4Å; A206-V244 HydrophobicContact CB-CG2 4.04Å
207L93.5Very high88.9Confident0 Ų032.7 Ų32.70%017%0.173CC..Hα-helixtrans-57.4-50.6176.1-78.7168.1000112.1L153 R185 L186 L203 A204 S209 L210 E211 V244 L248L153-L207 HydrophobicContact CD1-CB 4.49Å; R185-L207 HydrophobicContact CB-CD2 4.03Å; L186-L207 HydrophobicContact CB-CD1 3.92Å; L186-L207 HydrophobicContact CD1-CD1 3.75Å; L186-L207 HydrophobicContact CG-CD1 4.44Å; L203-L207 HydrophobicContact CD1-CD1 4.46Å; L203-L207 HydrophobicContact CG-CD1 4.38Å; L203-L207 WeakPolarHBondContact O-CG 3.49Å; L203-L207 PolarHBondContact O-N 3.35Å; A204-L207 PolarHBondContact O-N 2.61Å; L207-S209 VanDerWaalsContact C-N 3.33Å; L207-S209 PolarHBondContact O-N 3.37Å; L207-L210 PolarHBondContact O-N 3.41Å; L207-E211 PolarHBondContact O-N 3.47Å; L207-E211 VanDerWaalsContact O-N 3.09Å; L207-V244 HydrophobicContact CD2-CG1 3.63Å; L207-V244 HydrophobicContact CG-CG1 4.07Å; L207-L248 HydrophobicContact CD2-CD1 3.99Å
208I91.8Very high89Confident5 Ų530.9 Ų30.93%0.02617%0.168CC..Hα-helixtrans-63.9-40.2-179.8-73.4168.3000111.2L153 F156 H157 L182 A204 L205 A206 L210 E211 L212 L226L153-I208 HydrophobicContact CD1-CD1 3.68Å; L153-I208 HydrophobicContact CD1-CG1 3.63Å; F156-I208 HydrophobicContact CB-CD1 3.24Å; F156-I208 HydrophobicContact CD2-CD1 4.35Å; F156-I208 HydrophobicContact CG-CD1 4.31Å; H157-I208 HydrophobicContact CB-CD1 4.36Å; L182-I208 HydrophobicContact CD1-CG1 4.21Å; L182-I208 HydrophobicContact CD2-CG1 4.27Å; A204-I208 PolarHBondContact O-N 3.47Å; L205-I208 PolarHBondContact O-N 3Å; A206-I208 PolarHBondContact O-N 3.23Å; I208-L210 VanDerWaalsContact C-N 3.31Å; I208-L210 PolarHBondContact O-N 3.01Å; I208-E211 PolarHBondContact O-N 3.47Å; I208-L212 HydrophobicContact CG2-CD1 3.7Å; I208-L212 HydrophobicContact CG2-CG 3.95Å; I208-L212 WeakPolarHBondContact O-CB 3.21Å; I208-L212 VanDerWaalsContact O-CG 3.24Å; I208-L212 WeakPolarHBondContact O-CG 3.47Å; I208-L212 PolarHBondContact O-N 3.38Å; I208-L226 HydrophobicContact CG2-CD1 4.4Å
209S92.9Very high89.2Confident0 Ų032 Ų320%017%0.17CC..Hα-helixtrans-64.3-35.7179.2690000113L205 A206 L207 E213 R241L205-S209 VanDerWaalsContact O-CB 3.28Å; L205-S209 WeakPolarHBondContact O-CB 3.47Å; L205-S209 PolarHBondContact O-N 3.05Å; L205-S209 PolarHBondContact O-OG 2.84Å; A206-S209 WeakPolarHBondContact CA-OG 3.41Å; A206-S209 PolarHBondContact O-N 2.72Å; A206-S209 PolarHBondContact O-OG 2.82Å; L207-S209 VanDerWaalsContact C-N 3.33Å; L207-S209 PolarHBondContact O-N 3.37Å; S209-E213 WeakPolarHBondContact O-CB 3.46Å; S209-E213 PolarHBondContact O-N 3.02Å; S209-E213 VanDerWaalsContact O-N 3.11Å; S209-R241 PolarHBondContact O-NH2 2.98Å; S209-R241 WeakPolarHBondContact OG-CD 3.35Å; S209-R241 WeakPolarHBondContact OG-CG 3.48Å; S209-R241 PolarHBondContact OG-NE 3.31Å
210L91.5Very high89.2Confident27 Ų2730.7 Ų30.714%0.14117%0.171CC..Hα-helixtrans-68.7-40174.7-70.7170.4000111.5A206 L207 I208 R241 V244A206-L210 WeakPolarHBondContact O-CG 3.4Å; A206-L210 PolarHBondContact O-N 3.24Å; L207-L210 PolarHBondContact O-N 3.41Å; I208-L210 VanDerWaalsContact C-N 3.31Å; I208-L210 PolarHBondContact O-N 3.01Å; L210-R241 HydrophobicContact CD2-CB 4.48Å; L210-V244 HydrophobicContact CD1-CB 4.06Å; L210-V244 HydrophobicContact CD1-CG1 3.65Å
211E89.2Confident89.3Confident6 Ų633.2 Ų33.23%0.02819%0.191CC..Hα-helixtrans-65.8-51.3173-63.5-40.8117.400110.7L182 R185 L207 I208 E213 T214 C215L182-E211 HydrophobicContact CD2-CB 4.24Å; L182-E211 HydrophobicContact CD2-CG 3.27Å; L182-E211 HydrophobicContact CG-CG 4.17Å; R185-E211 WeakPolarHBondContact CD-OE1 3.47Å; R185-E211 VanDerWaalsContact CZ-CD 3.41Å; R185-E211 IonicContact CZ-OE1 3.83Å; R185-E211 IonicContact CZ-OE2 2.93Å; R185-E211 IonicContact NE-OE1 3.98Å; R185-E211 PolarHBondContact NE-OE1 3.17Å; R185-E211 IonicContact NE-OE2 3.22Å; R185-E211 IonicContact NH1-OE1 2.83Å; R185-E211 PolarHBondContact NH1-OE1 3.3Å; R185-E211 IonicContact NH1-OE2 2.58Å; R185-E211 PolarHBondContact NH1-OE2 3.45Å; R185-E211 IonicContact NH2-OE1 2.7Å; R185-E211 IonicContact NH2-OE2 3.7Å; R185-E211 PolarHBondContact NH2-OE2 2.89Å; L207-E211 PolarHBondContact O-N 3.47Å; L207-E211 VanDerWaalsContact O-N 3.09Å; I208-E211 PolarHBondContact O-N 3.47Å; E211-E213 PolarHBondContact O-N 3.46Å; E211-E213 VanDerWaalsContact O-N 3.08Å; E211-T214 WeakPolarHBondContact O-CA 3.24Å; E211-T214 PolarHBondContact O-N 2.78Å; E211-T214 PolarHBondContact O-OG1 2.86Å; E211-C215 VanDerWaalsContact C-SG 3.54Å; E211-C215 PolarHBondContact O-N 3.02Å; E211-C215 PolarHBondContact O-SG 3.37Å
212L87.8Confident89.1Confident2 Ų234.1 Ų34.11%0.0120%0.195CC..Hα-helixtrans-54.2-35.5-178.1-72.2177.5000112.5F167 I208 T214 C215 C216 W219 L222F167-L212 HydrophobicContact CD2-CD2 4.43Å; F167-L212 HydrophobicContact CE2-CD2 3.93Å; F167-L212 HydrophobicContact CZ-CD2 4.07Å; I208-L212 HydrophobicContact CG2-CD1 3.7Å; I208-L212 HydrophobicContact CG2-CG 3.95Å; I208-L212 WeakPolarHBondContact O-CB 3.21Å; I208-L212 VanDerWaalsContact O-CG 3.24Å; I208-L212 WeakPolarHBondContact O-CG 3.47Å; I208-L212 PolarHBondContact O-N 3.38Å; L212-T214 VanDerWaalsContact C-N 3.27Å; L212-T214 PolarHBondContact O-N 3.28Å; L212-C215 PolarHBondContact O-N 3.46Å; L212-C215 VanDerWaalsContact O-N 3.13Å; L212-C216 PolarHBondContact O-N 3Å; L212-C216 PolarHBondContact O-SG 2.93Å; L212-W219 VanDerWaalsContact C-CB 3.42Å; L212-W219 HydrophobicContact CB-CB 3.82Å; L212-W219 VanDerWaalsContact O-CB 3.29Å; L212-W219 WeakPolarHBondContact O-CB 3.41Å; L212-L222 HydrophobicContact CD1-CB 4.27Å
213E90Very high88.9Confident96 Ų9633.7 Ų33.745%0.44919%0.193SC..Hα-helixtrans-58.9-35.9174.7179173-166.100113.2S209 E211 W219 R241S209-E213 WeakPolarHBondContact O-CB 3.46Å; S209-E213 PolarHBondContact O-N 3.02Å; S209-E213 VanDerWaalsContact O-N 3.11Å; E211-E213 PolarHBondContact O-N 3.46Å; E211-E213 VanDerWaalsContact O-N 3.08Å; E213-W219 HydrophobicContact CB-CD2 3.97Å; E213-W219 HydrophobicContact CB-CG 4.07Å; E213-W219 HydrophobicContact CG-CD2 4.36Å; E213-W219 HydrophobicContact CG-CZ2 4.36Å; E213-R241 IonicContact OE2-CZ 3.1Å; E213-R241 IonicContact OE2-NH2 3.33Å; E213-R241 PolarHBondContact OE2-NH2 3.21Å
214T85.5Confident88.8Confident107 Ų10736.3 Ų36.366%0.65621%0.206SC*.Hα-helixtrans-81-27.1174.6670000112.7E211 L212E211-T214 WeakPolarHBondContact O-CA 3.24Å; E211-T214 PolarHBondContact O-N 2.78Å; E211-T214 PolarHBondContact O-OG1 2.86Å; L212-T214 VanDerWaalsContact C-N 3.27Å; L212-T214 PolarHBondContact O-N 3.28Å
215C81.1Confident88.6Confident11 Ų1138.8 Ų38.87%0.07422%0.219CC..Hα-helixtrans-87.5-35.6-171.7-56.20000114.3F167 S170 I171 E211 L212F167-C215 HydrophobicContact CD2-CB 3.88Å; F167-C215 HydrophobicContact CE2-CB 4.28Å; S170-C215 PolarHBondContact OG-O 3.36Å; I171-C215 HydrophobicContact CD1-CB 3.48Å; I171-C215 VanDerWaalsContact CD1-CB 3.48Å; I171-C215 WeakPolarHBondContact CD1-SG 3.46Å; E211-C215 VanDerWaalsContact C-SG 3.54Å; E211-C215 PolarHBondContact O-N 3.02Å; E211-C215 PolarHBondContact O-SG 3.37Å; L212-C215 PolarHBondContact O-N 3.46Å; L212-C215 VanDerWaalsContact O-N 3.13Å
216C79.4Confident88.4Confident9 Ų939 Ų396%0.06122%0.22CC..  trans-149.2148.2-166.768.90000114.3F167 L212F167-C216 HydrophobicContact CB-CB 4.38Å; L212-C216 PolarHBondContact O-N 3Å; L212-C216 PolarHBondContact O-SG 2.93Å
217P81.4Confident88.2Confident109 Ų10939.8 Ų39.871%0.70822%0.224SC*.THydrogen-bonded Turntrans-72.4-28.8-179.327.8-34.3000113.5W219P217-W219 VanDerWaalsContact C-N 3.29Å; P217-W219 PolarHBondContact O-N 2.93Å
218D84.2Confident88Confident85 Ų8548 Ų4846%0.45526%0.255SS..THydrogen-bonded Turntrans-93.622.2-178.9-49.2-59.9000113.2R164 L220 A221 L222R164-D218 IonicContact CZ-OD2 3.46Å; R164-D218 IonicContact NH1-OD2 2.7Å; R164-D218 PolarHBondContact NH1-OD2 3.27Å; R164-D218 IonicContact NH2-OD2 3.35Å; R164-D218 PolarHBondContact NH2-OD2 3.33Å; D218-L220 PolarHBondContact O-N 3.04Å; D218-L220 VanDerWaalsContact O-N 3.1Å; D218-A221 PolarHBondContact O-N 3.4Å; D218-A221 VanDerWaalsContact O-N 3.12Å; D218-L222 PolarHBondContact O-N 3Å
219W88.9Confident87.8Confident55 Ų5552.7 Ų52.721%0.20828%0.276CS..Hα-helixtrans-54-35.1-174.568.7-98000112.7L212 E213 P217 T223L212-W219 VanDerWaalsContact C-CB 3.42Å; L212-W219 HydrophobicContact CB-CB 3.82Å; L212-W219 VanDerWaalsContact O-CB 3.29Å; L212-W219 WeakPolarHBondContact O-CB 3.41Å; E213-W219 HydrophobicContact CB-CD2 3.97Å; E213-W219 HydrophobicContact CB-CG 4.07Å; E213-W219 HydrophobicContact CG-CD2 4.36Å; E213-W219 HydrophobicContact CG-CZ2 4.36Å; P217-W219 VanDerWaalsContact C-N 3.29Å; P217-W219 PolarHBondContact O-N 2.93Å; W219-T223 VanDerWaalsContact O-CB 3.3Å; W219-T223 WeakPolarHBondContact O-CB 3.43Å; W219-T223 PolarHBondContact O-N 3.43Å; W219-T223 PolarHBondContact O-OG1 3.43Å
220L90.1Very high87.4Confident93 Ų9353.5 Ų53.549%0.48728%0.283SS..Hα-helixtrans-67.7-42.7-177.9-177.563.6000111.5D218 T223 I224D218-L220 PolarHBondContact O-N 3.04Å; D218-L220 VanDerWaalsContact O-N 3.1Å; L220-T223 PolarHBondContact O-N 3.25Å; L220-I224 HydrophobicContact CD1-CD1 4.03Å; L220-I224 HydrophobicContact CD1-CG1 4.3Å; L220-I224 HydrophobicContact CG-CD1 3.86Å; L220-I224 WeakPolarHBondContact O-CB 3.22Å; L220-I224 VanDerWaalsContact O-CG1 3.23Å; L220-I224 WeakPolarHBondContact O-CG1 3.16Å; L220-I224 PolarHBondContact O-N 2.9Å
221A89.6Confident87.2Confident67 Ų6760.8 Ų60.855%0.55432%0.316SS*.Hα-helixtrans-64.5-42.817900000111.3D218 I224 D225D218-A221 PolarHBondContact O-N 3.4Å; D218-A221 VanDerWaalsContact O-N 3.12Å; A221-I224 PolarHBondContact O-N 3.17Å; A221-D225 PolarHBondContact O-N 3.03Å
222L87.4Confident87Confident26 Ų2661.6 Ų61.614%0.13632%0.32CS..Hα-helixtrans-63.4-44.5174.8-68.2175.8000111.6L212 D218 I224 D225 L226L212-L222 HydrophobicContact CD1-CB 4.27Å; D218-L222 PolarHBondContact O-N 3Å; L222-I224 VanDerWaalsContact C-N 3.33Å; L222-I224 PolarHBondContact O-N 3.33Å; L222-D225 PolarHBondContact O-N 2.9Å; L222-L226 WeakPolarHBondContact O-CG 3.41Å; L222-L226 PolarHBondContact O-N 3.5Å
223T89.1Confident86.8Confident2 Ų267 Ų671%0.01235%0.349CS..Hα-helixtrans-61.9-41.8178.5-59.60000111.4W219 L220 L226 L227 L237W219-T223 VanDerWaalsContact O-CB 3.3Å; W219-T223 WeakPolarHBondContact O-CB 3.43Å; W219-T223 PolarHBondContact O-N 3.43Å; W219-T223 PolarHBondContact O-OG1 3.43Å; L220-T223 PolarHBondContact O-N 3.25Å; T223-L226 PolarHBondContact O-N 3.44Å; T223-L227 VanDerWaalsContact O-CB 3.28Å; T223-L227 WeakPolarHBondContact O-CB 3.28Å; T223-L227 PolarHBondContact O-N 2.84Å; T223-L237 HydrophobicContact CG2-CD2 3.58Å
224I89.4Confident86.7Confident63 Ų6366 Ų6632%0.32335%0.353SS..Hα-helixtrans-66.5-40.2177-69.5167.5000111.1L220 A221 L222 L227 R228L220-I224 HydrophobicContact CD1-CD1 4.03Å; L220-I224 HydrophobicContact CD1-CG1 4.3Å; L220-I224 HydrophobicContact CG-CD1 3.86Å; L220-I224 WeakPolarHBondContact O-CB 3.22Å; L220-I224 VanDerWaalsContact O-CG1 3.23Å; L220-I224 WeakPolarHBondContact O-CG1 3.16Å; L220-I224 PolarHBondContact O-N 2.9Å; A221-I224 PolarHBondContact O-N 3.17Å; L222-I224 VanDerWaalsContact C-N 3.33Å; L222-I224 PolarHBondContact O-N 3.33Å; I224-L227 PolarHBondContact O-N 3.24Å; I224-R228 HydrophobicContact CG2-CG 4.49Å; I224-R228 VanDerWaalsContact CG2-NH2 3.29Å; I224-R228 WeakPolarHBondContact O-CG 3.18Å; I224-R228 PolarHBondContact O-N 3.44Å
225D89.5Confident86.7Confident51 Ų5164.8 Ų64.827%0.27335%0.348SS..Hα-helixtrans-62.2-45.9176.2-174.356.1000111.5A221 L222 L227 R228 K229A221-D225 PolarHBondContact O-N 3.03Å; L222-D225 PolarHBondContact O-N 2.9Å; D225-L227 PolarHBondContact O-N 3.32Å; D225-R228 PolarHBondContact O-N 3.04Å; D225-K229 VanDerWaalsContact CG-CE 3.41Å; D225-K229 VanDerWaalsContact O-CG 3.31Å; D225-K229 WeakPolarHBondContact O-CG 3.28Å; D225-K229 PolarHBondContact O-N 3.24Å; D225-K229 WeakPolarHBondContact OD1-CE 3.26Å; D225-K229 IonicContact OD1-NZ 3.67Å; D225-K229 WeakPolarHBondContact OD2-CE 3.23Å
226L89.3Confident86.7Confident4 Ų466 Ų662%0.02136%0.359CS..Hα-helixtrans-61.6-43.9174.9-66.5177.6000112F156 M159 L205 I208 L222 T223 R228 K229 A230F156-L226 HydrophobicContact CB-CD1 4.4Å; F156-L226 HydrophobicContact CD1-CD2 4.23Å; M159-L226 HydrophobicContact CB-CD2 3.63Å; M159-L226 HydrophobicContact CE-CD2 3.89Å; M159-L226 HydrophobicContact SD-CD2 4.22Å; L205-L226 HydrophobicContact CD1-CB 3.71Å; L205-L226 HydrophobicContact CD1-CD1 4.09Å; I208-L226 HydrophobicContact CG2-CD1 4.4Å; L222-L226 WeakPolarHBondContact O-CG 3.41Å; L222-L226 PolarHBondContact O-N 3.5Å; T223-L226 PolarHBondContact O-N 3.44Å; L226-R228 PolarHBondContact O-N 3.2Å; L226-K229 PolarHBondContact O-N 3.01Å; L226-A230 WeakPolarHBondContact O-CB 3.33Å; L226-A230 PolarHBondContact O-N 3.46Å
227L90.7Very high87.1Confident17 Ų1766.2 Ų66.29%0.08936%0.36CS..Hα-helixtrans-58.6-45.5176.7179.8124.6000112L205 T223 I224 D225 A230 Q231 M232 L237L205-L227 HydrophobicContact CD2-CB 3.99Å; L205-L227 HydrophobicContact CD2-CD1 4.21Å; T223-L227 VanDerWaalsContact O-CB 3.28Å; T223-L227 WeakPolarHBondContact O-CB 3.28Å; T223-L227 PolarHBondContact O-N 2.84Å; I224-L227 PolarHBondContact O-N 3.24Å; D225-L227 PolarHBondContact O-N 3.32Å; L227-A230 PolarHBondContact O-N 2.84Å; L227-Q231 PolarHBondContact O-N 2.74Å; L227-Q231 VanDerWaalsContact O-N 3.08Å; L227-M232 HydrophobicContact CD1-CB 4.23Å; L227-M232 VanDerWaalsContact CD2-O 3.29Å; L227-M232 WeakPolarHBondContact CD2-O 3.37Å; L227-M232 HydrophobicContact CG-CB 4.14Å; L227-M232 WeakPolarHBondContact CG-O 3.36Å; L227-M232 PolarHBondContact O-N 3.42Å; L227-M232 VanDerWaalsContact O-N 3.1Å; L227-L237 HydrophobicContact CD1-CB 3.79Å; L227-L237 HydrophobicContact CD1-CD2 3.57Å; L227-L237 HydrophobicContact CD1-CG 4.27Å
228R89.1Confident87.5Confident173 Ų17366 Ų6665%0.65335%0.352SS*.Hα-helixtrans-64.1-42.6177-71.6-177.5-149.6151.12.1111.7I224 D225 L226 A230 Q231I224-R228 HydrophobicContact CG2-CG 4.49Å; I224-R228 VanDerWaalsContact CG2-NH2 3.29Å; I224-R228 WeakPolarHBondContact O-CG 3.18Å; I224-R228 PolarHBondContact O-N 3.44Å; D225-R228 PolarHBondContact O-N 3.04Å; L226-R228 PolarHBondContact O-N 3.2Å; R228-A230 VanDerWaalsContact C-N 3.29Å; R228-A230 PolarHBondContact O-N 3.44Å; R228-Q231 PolarHBondContact O-N 2.72Å; R228-Q231 VanDerWaalsContact O-N 3.11Å
229K86.8Confident87.7Confident103 Ų10370.5 Ų70.545%0.44836%0.362SS..Hα-helixtrans-65.6-33.4178.8-71.2175.8-170.3-670112.4L16 M159 D225 L226 Q231L16-K229 HydrophobicContact CD2-CB 4.1Å; M159-K229 HydrophobicContact CE-CB 4.08Å; M159-K229 HydrophobicContact CE-CD 3.18Å; M159-K229 HydrophobicContact CE-CG 4.25Å; D225-K229 VanDerWaalsContact CG-CE 3.41Å; D225-K229 VanDerWaalsContact O-CG 3.31Å; D225-K229 WeakPolarHBondContact O-CG 3.28Å; D225-K229 PolarHBondContact O-N 3.24Å; D225-K229 WeakPolarHBondContact OD1-CE 3.26Å; D225-K229 IonicContact OD1-NZ 3.67Å; D225-K229 WeakPolarHBondContact OD2-CE 3.23Å; L226-K229 PolarHBondContact O-N 3.01Å; K229-Q231 VanDerWaalsContact C-N 3.3Å
230A85.6Confident87.7Confident18 Ų1868 Ų6815%0.14935%0.353CS..THydrogen-bonded Turntrans-83.3-3.1174.700000113.8L16 F156 L226 L227 R228 M232L16-A230 HydrophobicContact CD2-CB 4.22Å; F156-A230 HydrophobicContact CE1-CB 3.97Å; F156-A230 HydrophobicContact CZ-CB 3.84Å; L226-A230 WeakPolarHBondContact O-CB 3.33Å; L226-A230 PolarHBondContact O-N 3.46Å; L227-A230 PolarHBondContact O-N 2.84Å; R228-A230 VanDerWaalsContact C-N 3.29Å; R228-A230 PolarHBondContact O-N 3.44Å; A230-M232 VanDerWaalsContact C-N 3.32Å; A230-M232 HydrophobicContact CB-CG 3.7Å; A230-M232 HydrophobicContact CB-SD 3.39Å; A230-M232 WeakPolarHBondContact CB-SD 3.38Å; A230-M232 PolarHBondContact O-N 3.09Å
231Q86.9Confident87.8Confident180 Ų18065 Ų6584%0.84134%0.335SS*.THydrogen-bonded Turntrans54.242.8-176.9-54.8-176.716.900113.4L227 R228 K229L227-Q231 PolarHBondContact O-N 2.74Å; L227-Q231 VanDerWaalsContact O-N 3.08Å; R228-Q231 PolarHBondContact O-N 2.72Å; R228-Q231 VanDerWaalsContact O-N 3.11Å; K229-Q231 VanDerWaalsContact C-N 3.3Å
232M84.8Confident87.8Confident22 Ų2266.6 Ų66.611%0.10833%0.331CS..  trans-101.7150.3-175.5-62.416568.300112.7F156 V202 L205 L227 A230F156-M232 HydrophobicContact CZ-SD 4.5Å; V202-M232 HydrophobicContact CB-CE 3.84Å; V202-M232 HydrophobicContact CG1-CE 4.39Å; V202-M232 HydrophobicContact CG2-CE 3.39Å; L205-M232 HydrophobicContact CB-CE 4.2Å; L205-M232 HydrophobicContact CB-SD 4.5Å; L205-M232 HydrophobicContact CD2-CE 3.84Å; L205-M232 HydrophobicContact CD2-SD 3.69Å; L227-M232 HydrophobicContact CD1-CB 4.23Å; L227-M232 VanDerWaalsContact CD2-O 3.29Å; L227-M232 WeakPolarHBondContact CD2-O 3.37Å; L227-M232 HydrophobicContact CG-CB 4.14Å; L227-M232 WeakPolarHBondContact CG-O 3.36Å; L227-M232 PolarHBondContact O-N 3.42Å; L227-M232 VanDerWaalsContact O-N 3.1Å; A230-M232 VanDerWaalsContact C-N 3.32Å; A230-M232 HydrophobicContact CB-CG 3.7Å; A230-M232 HydrophobicContact CB-SD 3.39Å; A230-M232 WeakPolarHBondContact CB-SD 3.38Å; A230-M232 PolarHBondContact O-N 3.09Å
233D84.9Confident87.8Confident115 Ų11568.1 Ų68.162%0.61534%0.339SS*.  trans-73130174.8-64.4-49.5000111.8S235 A236 L237D233-S235 VanDerWaalsContact C-N 3.27Å; D233-S235 PolarHBondContact O-N 3.35Å; D233-A236 HydrophobicContact CB-CB 4.19Å; D233-A236 PolarHBondContact O-N 3.26Å; D233-L237 PolarHBondContact O-N 3.29Å
234S86.7Confident87.9Confident77 Ų7768 Ų6854%0.53834%0.339SS..Hα-helixtrans-62.8-32.5178.157.40000113.1L237 I238S234-L237 PolarHBondContact O-N 3.04Å; S234-I238 WeakPolarHBondContact O-CG1 3.16Å; S234-I238 PolarHBondContact O-N 3.11Å; S234-I238 VanDerWaalsContact O-N 3.16Å
235S85.1Confident87.9Confident80 Ų8067.4 Ų67.456%0.55934%0.34SS*.Hα-helixtrans-67.3-37.2177.360.30000112.6D233 L237 R239D233-S235 VanDerWaalsContact C-N 3.27Å; D233-S235 PolarHBondContact O-N 3.35Å; S235-L237 VanDerWaalsContact C-N 3.33Å; S235-R239 PolarHBondContact O-N 3.42Å
236A82.8Confident87.9Confident37 Ų3772.5 Ų72.531%0.30636%0.355SS..Hα-helixtrans-65.8-39.1174.400000110.9D233 S240D233-A236 HydrophobicContact CB-CB 4.19Å; D233-A236 PolarHBondContact O-N 3.26Å; A236-S240 VanDerWaalsContact O-CB 3.28Å; A236-S240 WeakPolarHBondContact O-CB 3Å; A236-S240 PolarHBondContact O-N 3.09Å; A236-S240 PolarHBondContact O-OG 3.14Å
237L87.8Confident87.7Confident13 Ų1373.2 Ų73.27%0.06836%0.361CS..Hα-helixtrans-62.7-49.1177.9-177.563.4000112L205 A206 T223 L227 D233 S234 S235 R239 S240 R241L205-L237 HydrophobicContact CB-CD1 4.3Å; L205-L237 HydrophobicContact CD2-CD1 4Å; L205-L237 HydrophobicContact CD2-CD2 4.18Å; L205-L237 HydrophobicContact CG-CD1 3.85Å; L205-L237 HydrophobicContact CG-CD2 4.47Å; A206-L237 HydrophobicContact CB-CD1 4.39Å; T223-L237 HydrophobicContact CG2-CD2 3.58Å; L227-L237 HydrophobicContact CD1-CB 3.79Å; L227-L237 HydrophobicContact CD1-CD2 3.57Å; L227-L237 HydrophobicContact CD1-CG 4.27Å; D233-L237 PolarHBondContact O-N 3.29Å; S234-L237 PolarHBondContact O-N 3.04Å; S235-L237 VanDerWaalsContact C-N 3.33Å; L237-R239 PolarHBondContact O-N 3.03Å; L237-S240 WeakPolarHBondContact CA-OG 3.07Å; L237-S240 PolarHBondContact O-N 3.27Å; L237-S240 PolarHBondContact O-OG 3.29Å; L237-R241 HydrophobicContact CD1-CG 4.13Å; L237-R241 HydrophobicContact CG-CG 4.38Å; L237-R241 WeakPolarHBondContact O-CG 3.46Å; L237-R241 PolarHBondContact O-N 2.82Å
238I88.6Confident87.5Confident106 Ų10675 Ų7554%0.54437%0.37SS..Hα-helixtrans-56.8-50.7-178.5-64.3165.8000110.7S234 S240 R241 E242S234-I238 WeakPolarHBondContact O-CG1 3.16Å; S234-I238 PolarHBondContact O-N 3.11Å; S234-I238 VanDerWaalsContact O-N 3.16Å; I238-S240 VanDerWaalsContact C-N 3.34Å; I238-S240 PolarHBondContact O-N 3.31Å; I238-R241 PolarHBondContact O-N 2.98Å; I238-E242 PolarHBondContact O-N 2.69Å
239R87.7Confident87.2Confident179 Ų17970.9 Ų70.968%0.67537%0.368SS*.Hα-helixtrans-60.5-44.1178.1-172.7-175.6-59.1167.83.6111.8S235 L237 R241 E242 L243S235-R239 PolarHBondContact O-N 3.42Å; L237-R239 PolarHBondContact O-N 3.03Å; R239-R241 VanDerWaalsContact C-N 3.33Å; R239-R241 PolarHBondContact O-N 2.9Å; R239-E242 PolarHBondContact O-N 3.4Å; R239-L243 HydrophobicContact CG-CD1 4.3Å; R239-L243 WeakPolarHBondContact O-CG 3.4Å; R239-L243 PolarHBondContact O-N 3Å; R239-L243 VanDerWaalsContact O-N 3.11Å
240S89.3Confident86.4Confident1 Ų170.2 Ų70.21%0.00737%0.372CS..Hα-helixtrans-64.5-37.1-179.468.90000112.6V202 A236 L237 I238 L243 V244V202-S240 WeakPolarHBondContact CG1-OG 3.3Å; A236-S240 VanDerWaalsContact O-CB 3.28Å; A236-S240 WeakPolarHBondContact O-CB 3Å; A236-S240 PolarHBondContact O-N 3.09Å; A236-S240 PolarHBondContact O-OG 3.14Å; L237-S240 WeakPolarHBondContact CA-OG 3.07Å; L237-S240 PolarHBondContact O-N 3.27Å; L237-S240 PolarHBondContact O-OG 3.29Å; I238-S240 VanDerWaalsContact C-N 3.34Å; I238-S240 PolarHBondContact O-N 3.31Å; S240-L243 PolarHBondContact O-N 3.39Å; S240-V244 WeakPolarHBondContact O-CB 3.49Å; S240-V244 VanDerWaalsContact O-CG2 3.25Å; S240-V244 WeakPolarHBondContact O-CG2 3.45Å; S240-V244 PolarHBondContact O-N 3.41Å
241R92.3Very high84.9Confident31 Ų3175.1 Ų75.112%0.11740%0.402CS..Hα-helixtrans-63.8-44.1176.4-75.9-178.472.9170.16112.1A206 S209 L210 E213 L237 I238 R239 L243 V244 S245A206-R241 HydrophobicContact CB-CG 4Å; S209-R241 PolarHBondContact O-NH2 2.98Å; S209-R241 WeakPolarHBondContact OG-CD 3.35Å; S209-R241 WeakPolarHBondContact OG-CG 3.48Å; S209-R241 PolarHBondContact OG-NE 3.31Å; L210-R241 HydrophobicContact CD2-CB 4.48Å; E213-R241 IonicContact OE2-CZ 3.1Å; E213-R241 IonicContact OE2-NH2 3.33Å; E213-R241 PolarHBondContact OE2-NH2 3.21Å; L237-R241 HydrophobicContact CD1-CG 4.13Å; L237-R241 HydrophobicContact CG-CG 4.38Å; L237-R241 WeakPolarHBondContact O-CG 3.46Å; L237-R241 PolarHBondContact O-N 2.82Å; I238-R241 PolarHBondContact O-N 2.98Å; R239-R241 VanDerWaalsContact C-N 3.33Å; R239-R241 PolarHBondContact O-N 2.9Å; R241-L243 VanDerWaalsContact C-N 3.33Å; R241-L243 PolarHBondContact O-N 2.93Å; R241-V244 PolarHBondContact O-N 3.03Å; R241-S245 WeakPolarHBondContact O-CB 3.35Å; R241-S245 PolarHBondContact O-N 3.04Å
242E89.6Confident83.3Confident101 Ų10175.7 Ų75.747%0.47240%0.397SS..Hα-helixtrans-61.7-42.9175.8-69.9178.5-16600111.5I238 R239 R246I238-E242 PolarHBondContact O-N 2.69Å; R239-E242 PolarHBondContact O-N 3.4Å; E242-R246 WeakPolarHBondContact O-CB 3.47Å; E242-R246 VanDerWaalsContact O-CG 3.24Å; E242-R246 WeakPolarHBondContact O-CG 3.16Å; E242-R246 PolarHBondContact O-N 3.2Å
243L88.8Confident81.4Confident58 Ų5877.6 Ų77.630%0.30442%0.416SS..Hα-helixtrans-63.5-47.4177.6-71.4173.6000111.9L195 R239 S240 R241 R246 S247L195-L243 HydrophobicContact CD2-CB 3.78Å; R239-L243 HydrophobicContact CG-CD1 4.3Å; R239-L243 WeakPolarHBondContact O-CG 3.4Å; R239-L243 PolarHBondContact O-N 3Å; R239-L243 VanDerWaalsContact O-N 3.11Å; S240-L243 PolarHBondContact O-N 3.39Å; R241-L243 VanDerWaalsContact C-N 3.33Å; R241-L243 PolarHBondContact O-N 2.93Å; L243-R246 PolarHBondContact O-N 3.47Å; L243-S247 WeakPolarHBondContact O-CB 3.15Å; L243-S247 PolarHBondContact O-N 3.49Å
244V90.8Very high79.4Confident0 Ų077.3 Ų77.30%042%0.423CS..Hα-helixtrans-63.9-44.5178.3171.70000110.8L195 L198 L203 A206 L207 L210 S240 R241 R246 S247 L248L195-V244 HydrophobicContact CD1-CG2 4.25Å; L195-V244 HydrophobicContact CD2-CG2 4.01Å; L198-V244 HydrophobicContact CD1-CG2 4.41Å; L203-V244 HydrophobicContact CD1-CG2 3.59Å; A206-V244 HydrophobicContact CB-CG2 4.04Å; L207-V244 HydrophobicContact CD2-CG1 3.63Å; L207-V244 HydrophobicContact CG-CG1 4.07Å; L210-V244 HydrophobicContact CD1-CB 4.06Å; L210-V244 HydrophobicContact CD1-CG1 3.65Å; S240-V244 WeakPolarHBondContact O-CB 3.49Å; S240-V244 VanDerWaalsContact O-CG2 3.25Å; S240-V244 WeakPolarHBondContact O-CG2 3.45Å; S240-V244 PolarHBondContact O-N 3.41Å; R241-V244 PolarHBondContact O-N 3.03Å; V244-R246 VanDerWaalsContact C-N 3.34Å; V244-R246 PolarHBondContact O-N 2.8Å; V244-S247 WeakPolarHBondContact O-CB 3.19Å; V244-S247 PolarHBondContact O-N 2.89Å; V244-L248 HydrophobicContact CG1-CD1 3.9Å; V244-L248 HydrophobicContact CG1-CG 4.33Å; V244-L248 WeakPolarHBondContact O-CG 3.21Å; V244-L248 PolarHBondContact O-N 3.3Å
245S89.7Confident77.6Confident49 Ų4977.7 Ų77.734%0.34342%0.419SS..Hα-helixtrans-58-46.5176.5173.60000111.2R241 S247 L248 S249R241-S245 WeakPolarHBondContact O-CB 3.35Å; R241-S245 PolarHBondContact O-N 3.04Å; S245-S247 PolarHBondContact O-N 2.9Å; S245-L248 PolarHBondContact O-N 2.98Å; S245-S249 VanDerWaalsContact O-CB 3.32Å; S245-S249 WeakPolarHBondContact O-CB 3.44Å; S245-S249 PolarHBondContact O-N 3.25Å; S245-S249 PolarHBondContact O-OG 3.1Å
246R87.8Confident75.5Confident158 Ų15878 Ų7860%0.59642%0.419SS*.Hα-helixtrans-60.8-44.9175.4-72172.2-172.9-1776.9112.1E242 L243 V244 L248 S249 T250E242-R246 WeakPolarHBondContact O-CB 3.47Å; E242-R246 VanDerWaalsContact O-CG 3.24Å; E242-R246 WeakPolarHBondContact O-CG 3.16Å; E242-R246 PolarHBondContact O-N 3.2Å; L243-R246 PolarHBondContact O-N 3.47Å; V244-R246 VanDerWaalsContact C-N 3.34Å; V244-R246 PolarHBondContact O-N 2.8Å; R246-L248 VanDerWaalsContact C-N 3.34Å; R246-L248 PolarHBondContact O-N 2.89Å; R246-S249 PolarHBondContact O-N 2.73Å; R246-T250 WeakPolarHBondContact O-CB 3.32Å; R246-T250 PolarHBondContact O-N 2.96Å; R246-T250 PolarHBondContact O-OG1 3.22Å
247S85.9Confident73.4Confident20 Ų2081.9 Ų81.914%0.1444%0.441CS..Hα-helixtrans-58.6-45.4178.7-170.40000111.8D192 L243 V244 S245D192-S247 WeakPolarHBondContact CB-OG 3.45Å; D192-S247 VanDerWaalsContact OD2-CB 3.23Å; D192-S247 WeakPolarHBondContact OD2-CB 3.39Å; D192-S247 PolarHBondContact OD2-OG 3.41Å; L243-S247 WeakPolarHBondContact O-CB 3.15Å; L243-S247 PolarHBondContact O-N 3.49Å; V244-S247 WeakPolarHBondContact O-CB 3.19Å; V244-S247 PolarHBondContact O-N 2.89Å; S245-S247 PolarHBondContact O-N 2.9Å
248L85.8Confident71.4Confident53 Ų5388.6 Ų88.628%0.27748%0.477SS..Hα-helixtrans-71.9-32.8179-65.1175.9000113.4R185 A188 L207 V244 S245 R246R185-L248 HydrophobicContact CB-CD2 4.14Å; R185-L248 HydrophobicContact CG-CD2 4.41Å; A188-L248 HydrophobicContact CB-CD2 4.18Å; L207-L248 HydrophobicContact CD2-CD1 3.99Å; V244-L248 HydrophobicContact CG1-CD1 3.9Å; V244-L248 HydrophobicContact CG1-CG 4.33Å; V244-L248 WeakPolarHBondContact O-CG 3.21Å; V244-L248 PolarHBondContact O-N 3.3Å; S245-L248 PolarHBondContact O-N 2.98Å; R246-L248 VanDerWaalsContact C-N 3.34Å; R246-L248 PolarHBondContact O-N 2.89Å
249S82.8Confident70.5Confident88 Ų8886.4 Ų86.462%0.61547%0.469SS*.Hα-helixtrans-81.9-14.5-179.7-64.60000114.3S245 R246 P251S245-S249 VanDerWaalsContact O-CB 3.32Å; S245-S249 WeakPolarHBondContact O-CB 3.44Å; S245-S249 PolarHBondContact O-N 3.25Å; S245-S249 PolarHBondContact O-OG 3.1Å; R246-S249 PolarHBondContact O-N 2.73Å; S249-P251 WeakPolarHBondContact O-CD 3.32Å
250T69.9Low68.9Low88 Ų8883.8 Ų83.854%0.5447%0.472SS..  trans-99.598.8-179.1-38.40000108.8R246 R252R246-T250 WeakPolarHBondContact O-CB 3.32Å; R246-T250 PolarHBondContact O-N 2.96Å; R246-T250 PolarHBondContact O-OG1 3.22Å; T250-R252 VanDerWaalsContact C-N 3.3Å; T250-R252 PolarHBondContact O-N 3.12Å
251P54.8Low67.5Low121 Ų12192.5 Ų92.579%0.78651%0.506SS*.  trans-68.597.5168.317.6-11.1000106.8S249 A253S249-P251 WeakPolarHBondContact O-CD 3.32Å; P251-A253 PolarHBondContact O-N 3.01Å
252R54.5Low65.7Low193 Ų19398 Ų9873%0.72854%0.536SS*.  trans-76.471.7174.7-156176.4-174142.22.4107.9T250 S254T250-R252 VanDerWaalsContact C-N 3.3Å; T250-R252 PolarHBondContact O-N 3.12Å; R252-S254 PolarHBondContact O-N 3.16Å
253A44.7Very low63.3Low61 Ų61102.6 Ų102.650%0.50455%0.551SS.*  trans-51.612716200000106.5P251 L255P251-A253 PolarHBondContact O-N 3.01Å; A253-L255 HydrophobicContact CB-CD2 4.11Å; A253-L255 HydrophobicContact CB-CG 3.95Å; A253-L255 PolarHBondContact O-N 3.35Å
254S41.4Very low61.2Low110 Ų110107.6 Ų107.677%0.76957%0.572SS**  trans-67.173.5167.2550000107.4R252R252-S254 PolarHBondContact O-N 3.16Å
255L50Low58.7Low84 Ų84111.6 Ų111.644%0.4460%0.598SS.*PPolyproline II helixtrans-69125.7176-71.9176.6000106.6A253 T259 Y261A253-L255 HydrophobicContact CB-CD2 4.11Å; A253-L255 HydrophobicContact CB-CG 3.95Å; A253-L255 PolarHBondContact O-N 3.35Å; L255-T259 WeakPolarHBondContact CB-OG1 3.39Å; L255-T259 HydrophobicContact CD1-CG2 4.04Å; L255-T259 HydrophobicContact CD2-CG2 3.9Å; L255-T259 HydrophobicContact CG-CG2 4.42Å; L255-Y261 WeakPolarHBondContact CD1-OH 3.47Å
256P40.8Very low56.5Low88 Ų88117 Ų11757%0.57162%0.623SS**PPolyproline II helixtrans-58.1152.4173.223.8-30.9000109.3N258 T259P256-N258 PolarHBondContact O-N 3.3Å; P256-N258 VanDerWaalsContact O-N 3.1Å; P256-T259 PolarHBondContact O-N 2.93Å; P256-T259 PolarHBondContact O-OG1 3.41Å
257P39Very low54.3Low117 Ų117118.7 Ų118.776%0.7664%0.637SS**THydrogen-bonded Turntrans-54.7123.7172.224-31000107.6
258N45.5Very low52.1Low155 Ų155125.6 Ų125.683%0.82967%0.672SS**THydrogen-bonded Turntrans98.630.1-177-46-34.1000117.9P256 V260P256-N258 PolarHBondContact O-N 3.3Å; P256-N258 VanDerWaalsContact O-N 3.1Å; N258-V260 PolarHBondContact O-N 3.08Å
259T69.3Low49.8Very low60 Ų60127.8 Ų127.837%0.36870%0.697SS.*  trans-74.3113.2167-57.60000110.8L255 P256L255-T259 WeakPolarHBondContact CB-OG1 3.39Å; L255-T259 HydrophobicContact CD1-CG2 4.04Å; L255-T259 HydrophobicContact CD2-CG2 3.9Å; L255-T259 HydrophobicContact CG-CG2 4.42Å; P256-T259 PolarHBondContact O-N 2.93Å; P256-T259 PolarHBondContact O-OG1 3.41Å
260V53.5Low47.6Very low123 Ų123127.7 Ų127.775%0.74570%0.702SS**  trans-89.8123.7173179.30000108.9N258 I262N258-V260 PolarHBondContact O-N 3.08Å; V260-I262 PolarHBondContact O-N 3.13Å
261Y61.4Low46Very low185 Ų185129.6 Ų129.673%0.72572%0.716SS**  trans-79.6112.4172.4-67.1-84.8000109.7L255 Y263L255-Y261 WeakPolarHBondContact CD1-OH 3.47Å; Y261-Y263 PolarHBondContact O-N 2.9Å
262I54.4Low45.1Very low146 Ų146128.5 Ų128.575%0.74972%0.717SS**  trans-82.199.1166.6-57.4175.5000106.8V260 H264V260-I262 PolarHBondContact O-N 3.13Å; I262-H264 PolarHBondContact O-N 3.4Å
263Y39.6Very low44.1Very low197 Ų197130.7 Ų130.777%0.77373%0.725SS**  trans-70.1110.7172.1-172.1-98.5000108.7Y261 P265Y261-Y263 PolarHBondContact O-N 2.9Å; Y263-P265 HydrophobicContact CD1-CB 4.44Å; Y263-P265 HydrophobicContact CD1-CG 3.97Å; Y263-P265 HydrophobicContact CE1-CB 3.99Å; Y263-P265 HydrophobicContact CE1-CG 3.98Å; Y263-P265 WeakPolarHBondContact O-CD 3.38Å
264H42.8Very low43.4Very low164 Ų164139.3 Ų139.376%0.75974%0.744SS**  trans-95.2107.2168.8-123.877.8000108I262 L266I262-H264 PolarHBondContact O-N 3.4Å; H264-L266 PolarHBondContact O-N 2.93Å
265P40.1Very low42.9Very low84 Ų84140.1 Ų140.155%0.54575%0.747SS.*  trans-65.6125.9177.9-10.824.9000108.8Y263 Q267Y263-P265 HydrophobicContact CD1-CB 4.44Å; Y263-P265 HydrophobicContact CD1-CG 3.97Å; Y263-P265 HydrophobicContact CE1-CB 3.99Å; Y263-P265 HydrophobicContact CE1-CG 3.98Å; Y263-P265 WeakPolarHBondContact O-CD 3.38Å; P265-Q267 PolarHBondContact O-N 2.69Å
266L42.2Very low42Very low163 Ų163144.8 Ų144.885%0.85377%0.771SS**  trans-59.6108167-75.8159.3000108.1H264 L268H264-L266 PolarHBondContact O-N 2.93Å; L266-L268 PolarHBondContact O-N 3.04Å
267Q43Very low41.4Very low192 Ų192143.8 Ų143.890%0.89778%0.777SS**  trans-65.998.8169.6-79.9176.4-13.800108.2P265 A269P265-Q267 PolarHBondContact O-N 2.69Å; Q267-A269 PolarHBondContact O-N 2.83Å; Q267-A269 VanDerWaalsContact O-N 3.07Å
268L38Very low40.8Very low166 Ų166145.2 Ų145.287%0.86978%0.784SS**  trans-63107.1163.7-10390.8000107.9L266 A270L266-L268 PolarHBondContact O-N 3.04Å; L268-A270 PolarHBondContact O-N 3.19Å; L268-A270 VanDerWaalsContact O-N 3.16Å
269A38.8Very low40.2Very low99 Ų99146.4 Ų146.482%0.81879%0.787SS**  trans-64.5111.4167.500000109Q267Q267-A269 PolarHBondContact O-N 2.83Å; Q267-A269 VanDerWaalsContact O-N 3.07Å
270A36Very low38.2Very low86 Ų86152.8 Ų152.871%0.71181%0.812SS**  trans-66.9144.4167.800000109.9L268 A272L268-A270 PolarHBondContact O-N 3.19Å; L268-A270 VanDerWaalsContact O-N 3.16Å; A270-A272 PolarHBondContact O-N 3.48Å; A270-A272 VanDerWaalsContact O-N 3.13Å
271P36.7Very low36.9Very low128 Ų128153.3 Ų153.383%0.83182%0.816SS**  trans-73.1109.8-179.928.8-31.3000109.8R273P271-R273 PolarHBondContact O-N 3.22Å
272A35Very low35.9Very low97 Ų97149.6 Ų149.680%0.80282%0.815SS**PPolyproline II helixtrans-68.2121172.400000110.2A270 R274A270-A272 PolarHBondContact O-N 3.48Å; A270-A272 VanDerWaalsContact O-N 3.13Å; A272-R274 PolarHBondContact O-N 2.58Å
273R33.1Very low34.5Very low240 Ų240153.4 Ų153.491%0.90682%0.82SS**PPolyproline II helixtrans-57127.9167.6-74.6175.9163.8177.8-5.4109.6P271P271-R273 PolarHBondContact O-N 3.22Å
274R30.8Very low33.9Very low242 Ų242150.5 Ų150.591%0.91382%0.817SS**PPolyproline II helixtrans-66.4141.3169.6-71178.7174.4167-2.3110.8A272A272-R274 PolarHBondContact O-N 2.58Å
275P31.6Very low33.3Very low127 Ų127151.9 Ų151.983%0.82582%0.824SS**  trans-115.1164.1138.3714.1000112.2
276L29.8Very low32.8Very low181 Ų181153.9 Ų153.995%0.94884%0.837SS**  trans-78.9150.6-168-140.373.6000113.4
277G28Very low32Very low68 Ų68150.2 Ų150.270%0.70183%0.83SS**  trans87.6135.5168.400000113.2
278T28Very low31.2Very low147 Ų147147.7 Ų147.790%0.90282%0.822SS**  cis-161.4158.721.517.10000108
279M32.1Very low31Very low180 Ų180145.5 Ų145.589%0.88782%0.818SS**  trans-42.4137.5171.7-78.1-101174.200114.1
280E26.5Very low30.3Very low193 Ų193149 Ų14990%0.90282%0.818SS**  178.8145.2123.1-95.9-179.2-174.200112.6
281T28Very low29.8Very low134 Ų134149.5 Ų149.582%0.82282%0.821SS**  trans-110.1-177.9173.450.60000109.3
282P40Very low29.3Very low108 Ų108148.2 Ų148.270%0.70182%0.822SS**  -116.1162.3-73.736.1-21.1000110.8
283R24.1Very low28.9Very low226 Ų226148.9 Ų148.985%0.85383%0.827SS**  trans173.6142.2146-101.3171.7-172.2-176.31.9115.4
284D26.8Very low28.5Very low135 Ų135140.8 Ų140.872%0.72282%0.819SS**  trans62.5104.3141.7-55-26.7000121.1
285Q30.1Very low28.2Very low194 Ų194138.8 Ų138.891%0.90782%0.819SS**  trans-91.6138.7149.8-74.7177.97.300109.6
286P30.5Very low27.8Very low126 Ų126142.4 Ų142.482%0.81883%0.826SS**  trans-87.6133.6169.227.8-20.4000113
287A25.1Very low27.6Very low85 Ų85140.1 Ų140.170%0.70283%0.825SS**  trans-24.6153.3143.100000115
288L27Very low27.4Very low139 Ų139146.7 Ų146.773%0.72883%0.834SS**  cis-177.9-174.432.7-104.8157.1000105.8
289P33Very low27.3Very low120 Ų120144.3 Ų144.378%0.77983%0.829SS**  cis-136.5164.18.426.1-0.3000118.3
290Q25.2Very low27.3Very low174 Ų174141.3 Ų141.381%0.81382%0.823SS**  trans-57.5173.4157.1-56.2164.6-16.300111
291A25.3Very low27.6Very low95 Ų95138 Ų13879%0.78582%0.818SS**  cis-165.6178.524.700000105.8
292A26Very low27.7Very low102 Ų102137.7 Ų137.784%0.84382%0.819SS**  cis-163.7160.12500000110.2
293A26Very low27.2Very low110 Ų110137.8 Ų137.891%0.90982%0.822SS**  trans-100.3171.1-178.800000113
294G24.5Very low27.6Very low71 Ų71132.8 Ų132.873%0.73282%0.818SS**  trans158.3130.8161.200000109.4
295E25.4Very low27.6Very low199 Ų199135.4 Ų135.493%0.9382%0.823SS**  cis-153.8138.67.8-73.6177.2125.500107.9
296E23.6Very low27.4Very low204 Ų204135 Ų13595%0.95382%0.821SS**  trans-102.5132.8166.3-90-178.6136.600109.1
297S24.7Very low27.3Very low133 Ų133137.7 Ų137.793%0.9383%0.828SS**  trans-117.1144.7170.3-151.60000110.6
298K23.5Very low27.4Very low206 Ų206137.8 Ų137.890%0.89683%0.828SS**  trans-114.7129.5-153.2-172.5-174.6-169179.50110.2
299A25.4Very low27.4Very low96 Ų96139 Ų13979%0.79383%0.83SS**  trans-167.3154.7158.200000112.9
300P33Very low27.3Very low117 Ų117141.6 Ų141.676%0.7684%0.836SS**  trans-104.1175.5-147.139.1-29.8000115
301P33.1Very low27.3Very low124 Ų124141 Ų14181%0.80583%0.834SS**PPolyproline II helixtrans-91150.1-170.235.8-32.2000113.1
302P30.4Very low27.4Very low128 Ų128146.3 Ų146.383%0.83184%0.839SS**PPolyproline II helixtrans-103.7140.9163.832.9-24.3000113.3
303S28.3Very low27.3Very low109 Ų109147.4 Ų147.476%0.76284%0.835SS**PPolyproline II helixtrans-66.6168176.553.20000115.3
304P33.8Very low27.4Very low121 Ų121147.9 Ų147.979%0.78683%0.829SS**PPolyproline II helixtrans-94.5122.1-170.734.4-26.9000112.4
305K25.3Very low27.5Very low190 Ų190152.7 Ų152.783%0.82684%0.836SS**  trans-150.2127.8160.2-68-169.1-179177.90110.6
306H26.3Very low27.4Very low187 Ų187154.2 Ų154.287%0.86683%0.834SS**  trans139.274.7148.1-79.6-77.9000113.2
307L28.8Very low27.5Very low182 Ų182150.6 Ų150.695%0.95383%0.829SS**  trans-98.9102152.3-104.1160.5000106.7
308A26.6Very low27.5Very low86 Ų86153.5 Ų153.571%0.71183%0.825SS**  trans-172.190.4161.100000109.7
309H28.1Very low27.5Very low165 Ų165148.8 Ų148.876%0.76483%0.825SS**  trans161119.6136.2-119.3-81.1000107.7
310L29Very low27.7Very low174 Ų174149.5 Ų149.591%0.91182%0.824SS**  trans-165.9124.7132-99.7155.1000109.6
311Q26.7Very low27.5Very low163 Ų163150.5 Ų150.576%0.76283%0.828SS**  trans-60.4140.3-179.8-97.2155.2-44.300112.3
312K25.9Very low27.4Very low206 Ų206154.4 Ų154.490%0.89683%0.833SS**  trans-62130.4165.2-70.3173.7173.6-179.60110.5
313V25Very low27.2Very low125 Ų125160 Ų16076%0.75884%0.837SS**  trans-123.3117.2162.4179.70000107.4
314P27Very low27.4Very low120 Ų120164.9 Ų164.978%0.77985%0.845SS**  trans-87.1122.3-17931.9-28.1000110.2
315L27.4Very low27.4Very low171 Ų171164.3 Ų164.390%0.89584%0.839SS**  trans-97109.2165.1-77.5170000109.4
316R23.6Very low28Very low231 Ų231164.9 Ų164.987%0.87284%0.844SS**  trans-81.9115178.5179.8-177.9-174.9177.72.6109.5
317C25.7Very low28.7Very low128 Ų128163 Ų16387%0.86584%0.836SS**  trans-115.8134.3164.9-85.60000110.9
318K24.3Very low29.4Very low194 Ų194156.8 Ų156.884%0.84380%0.803SS**  trans-77.8138.4-166.4-67.6172.2174.8174.60111.6
319A24.6Very low30.7Very low108 Ų108157.3 Ų157.389%0.89379%0.794SS**  trans-66.3139.2171.800000111.8
320S27.8Very low31.7Very low111 Ų111152.4 Ų152.478%0.77678%0.775SS**  trans-124.2112.4170.4-166.40000110.7
321T29.7Very low32.7Very low137 Ų137149.4 Ų149.484%0.8476%0.76SS**  trans17.3117.8157.423.10000122
322K30.7Very low34.2Very low207 Ų207145.2 Ų145.290%0.974%0.743SS**  trans-41.7136.7168.4-71.9170.4170.3173.70116.6
323R27.5Very low35.6Very low244 Ų244135.6 Ų135.692%0.92170%0.701SS**  trans-114.1127.8136.1-96.5-177.3178.8169.70.4108.3V325R323-V325 PolarHBondContact O-N 3.2Å
324K32.5Very low37.1Very low212 Ų212132.6 Ų132.692%0.92268%0.677SS**  trans-84.795.8-177.1-161.8-179.2-176-171.40108.5
325V32.1Very low38.9Very low110 Ų110130.3 Ų130.367%0.66766%0.658SS**  trans-108.3143.3154.4170.90000105R323 Q327R323-V325 PolarHBondContact O-N 3.2Å; V325-Q327 PolarHBondContact O-N 2.85Å
326E39Very low40.4Very low201 Ų201122.6 Ų122.694%0.93962%0.619SS**  trans-64.974.5171.4-73.7-176.7157.100109.7
327Q40.4Very low42Very low148 Ų148112 Ų11269%0.69258%0.58SS**  trans-96.594.9177.9-161.8161.81600104.7V325 D329V325-Q327 PolarHBondContact O-N 2.85Å; Q327-D329 PolarHBondContact O-N 2.74Å; Q327-D329 VanDerWaalsContact O-N 3.15Å
328M44.8Very low43.6Very low51 Ų51110.5 Ų110.525%0.25156%0.559SS.*  trans-53.9123.2163-177.8151.759.700106.7F14 L15 K18 D332F14-M328 HydrophobicContact CD1-CE 4.26Å; F14-M328 HydrophobicContact CE1-CE 3.83Å; L15-M328 HydrophobicContact CD2-CE 3.73Å; K18-M328 PolarHBondContact NZ-O 2.87Å; K18-M328 VanDerWaalsContact NZ-O 3.15Å; M328-D332 HydrophobicContact CG-CB 3.41Å; M328-D332 VanDerWaalsContact CG-CB 3.41Å; M328-D332 HydrophobicContact SD-CB 4.11Å
329D52.7Low45.4Very low98 Ų98108.2 Ų108.252%0.52455%0.545SS..  trans-56.7145.9-173.1-139.7-30000108.5Q327 D331 D332 F333Q327-D329 PolarHBondContact O-N 2.74Å; Q327-D329 VanDerWaalsContact O-N 3.15Å; D329-D331 PolarHBondContact O-N 3.31Å; D329-D331 VanDerWaalsContact O-N 3.16Å; D329-D332 WeakPolarHBondContact O-CB 3.24Å; D329-D332 PolarHBondContact O-N 3.25Å; D329-F333 PolarHBondContact O-N 3.32Å
330V48.6Very low46.9Very low62 Ų62105.7 Ų105.738%0.37652%0.516SS..Hα-helixtrans-57-32.7179.1175.50000109.4F333 Y334V330-F333 WeakPolarHBondContact O-CB 3.46Å; V330-F333 PolarHBondContact O-N 3.06Å; V330-Y334 HydrophobicContact CG1-CD2 3.69Å; V330-Y334 HydrophobicContact CG1-CE2 3.47Å; V330-Y334 VanDerWaalsContact CG1-CE2 3.47Å; V330-Y334 WeakPolarHBondContact O-CD2 3.45Å; V330-Y334 PolarHBondContact O-N 3.3Å; V330-Y334 VanDerWaalsContact O-N 3.16Å
331D51.5Low48.2Very low110 Ų110101.6 Ų101.659%0.58848%0.484SS*.Hα-helixtrans-62.5-42.9174.2-59.9-15.5000112.5D329 F333 Y334 D335D329-D331 PolarHBondContact O-N 3.31Å; D329-D331 VanDerWaalsContact O-N 3.16Å; D331-F333 VanDerWaalsContact C-N 3.27Å; D331-F333 PolarHBondContact O-N 3.35Å; D331-Y334 PolarHBondContact O-N 2.7Å; D331-D335 WeakPolarHBondContact O-CB 3.47Å; D331-D335 PolarHBondContact O-N 2.83Å
332D57.6Low49.4Very low76 Ų7699.6 Ų99.641%0.40647%0.468SS..Hα-helixtrans-65.3-30.5177.4-78.9-31000112.9R11 M328 D329 G336R11-D332 PolarHBondContact NH2-O 3.24Å; M328-D332 HydrophobicContact CG-CB 3.41Å; M328-D332 VanDerWaalsContact CG-CB 3.41Å; M328-D332 HydrophobicContact SD-CB 4.11Å; D329-D332 WeakPolarHBondContact O-CB 3.24Å; D329-D332 PolarHBondContact O-N 3.25Å; D332-G336 PolarHBondContact O-N 2.88Å; D332-G336 VanDerWaalsContact O-N 3.12Å
333F56.1Low50.3Low4 Ų492.6 Ų92.62%0.01844%0.439CS..Hα-helixtrans-68.5-52.8175.8177.6-94000110.5L15 D151 I155 D329 V330 D331 G336 I337L15-F333 HydrophobicContact CB-CE2 4Å; L15-F333 HydrophobicContact CD1-CD2 4.15Å; L15-F333 HydrophobicContact CD1-CE2 4Å; L15-F333 HydrophobicContact CD2-CD2 3.47Å; L15-F333 VanDerWaalsContact CD2-CD2 3.47Å; L15-F333 HydrophobicContact CD2-CE2 3.72Å; L15-F333 HydrophobicContact CG-CD2 4.26Å; L15-F333 HydrophobicContact CG-CE2 4.1Å; D151-F333 HydrophobicContact CB-CE1 4.33Å; D151-F333 HydrophobicContact CB-CZ 4.22Å; I155-F333 HydrophobicContact CD1-CE2 4.31Å; I155-F333 HydrophobicContact CD1-CZ 4.07Å; D329-F333 PolarHBondContact O-N 3.32Å; V330-F333 WeakPolarHBondContact O-CB 3.46Å; V330-F333 PolarHBondContact O-N 3.06Å; D331-F333 VanDerWaalsContact C-N 3.27Å; D331-F333 PolarHBondContact O-N 3.35Å; F333-G336 PolarHBondContact O-N 3.28Å; F333-I337 HydrophobicContact CD1-CD1 4Å; F333-I337 HydrophobicContact CE1-CD1 3.44Å; F333-I337 VanDerWaalsContact CE1-CD1 3.44Å; F333-I337 HydrophobicContact CE2-CD1 4.33Å; F333-I337 HydrophobicContact CZ-CD1 3.62Å; F333-I337 WeakPolarHBondContact O-CG1 3.29Å; F333-I337 PolarHBondContact O-N 2.7Å; F333-I337 VanDerWaalsContact O-N 3.16Å
334Y55.9Low50.9Low62 Ų6283.8 Ų83.824%0.24341%0.41CS..Hα-helixtrans-71.5-35.9-178.9-71.1-67.6000112.2E66 D151 V330 D331 G336 I337 K338E66-Y334 HydrophobicContact CG-CD1 4.16Å; E66-Y334 HydrophobicContact CG-CE1 3.62Å; D151-Y334 PolarHBondContact OD1-OH 3.43Å; V330-Y334 HydrophobicContact CG1-CD2 3.69Å; V330-Y334 HydrophobicContact CG1-CE2 3.47Å; V330-Y334 VanDerWaalsContact CG1-CE2 3.47Å; V330-Y334 WeakPolarHBondContact O-CD2 3.45Å; V330-Y334 PolarHBondContact O-N 3.3Å; V330-Y334 VanDerWaalsContact O-N 3.16Å; D331-Y334 PolarHBondContact O-N 2.7Å; Y334-G336 VanDerWaalsContact C-N 3.3Å; Y334-G336 PolarHBondContact O-N 3.02Å; Y334-I337 PolarHBondContact O-N 3.29Å; Y334-K338 VanDerWaalsContact O-CB 3.26Å; Y334-K338 WeakPolarHBondContact O-CB 3.07Å; Y334-K338 PolarHBondContact O-N 3.28Å
335D63.6Low51.2Low71 Ų7177.7 Ų77.738%0.3840%0.398SS..Hα-helixtrans-59.5-41.7170.6-93.66.5000112D331 I337 K338 R339D331-D335 WeakPolarHBondContact O-CB 3.47Å; D331-D335 PolarHBondContact O-N 2.83Å; D335-I337 VanDerWaalsContact C-N 3.31Å; D335-I337 PolarHBondContact O-N 2.83Å; D335-K338 PolarHBondContact O-N 3.3Å; D335-R339 WeakPolarHBondContact O-CB 3.42Å; D335-R339 WeakPolarHBondContact O-CG 3.31Å; D335-R339 PolarHBondContact O-N 2.97Å; D335-R339 IonicContact OD2-NH2 3.87Å; D335-R339 PolarHBondContact OD2-NH2 3.36Å
336G60.2Low51.3Low9 Ų977.9 Ų77.99%0.09340%0.4CS..Hα-helixtrans-60.2-42175.800000112.2D332 F333 Y334D332-G336 PolarHBondContact O-N 2.88Å; D332-G336 VanDerWaalsContact O-N 3.12Å; F333-G336 PolarHBondContact O-N 3.28Å; Y334-G336 VanDerWaalsContact C-N 3.3Å; Y334-G336 PolarHBondContact O-N 3.02Å
337I57.4Low51Low8 Ų873.1 Ų73.14%0.04139%0.389CS..Hα-helixtrans-73-44.3178.2-66.4176.1000110.9H154 F333 Y334 D335 R339 L340 Y341H154-I337 HydrophobicContact CB-CD1 4.02Å; H154-I337 HydrophobicContact CB-CG2 3.81Å; F333-I337 HydrophobicContact CD1-CD1 4Å; F333-I337 HydrophobicContact CE1-CD1 3.44Å; F333-I337 VanDerWaalsContact CE1-CD1 3.44Å; F333-I337 HydrophobicContact CE2-CD1 4.33Å; F333-I337 HydrophobicContact CZ-CD1 3.62Å; F333-I337 WeakPolarHBondContact O-CG1 3.29Å; F333-I337 PolarHBondContact O-N 2.7Å; F333-I337 VanDerWaalsContact O-N 3.16Å; Y334-I337 PolarHBondContact O-N 3.29Å; D335-I337 VanDerWaalsContact C-N 3.31Å; D335-I337 PolarHBondContact O-N 2.83Å; I337-R339 VanDerWaalsContact C-N 3.32Å; I337-R339 PolarHBondContact O-N 3.32Å; I337-L340 VanDerWaalsContact O-CB 3.28Å; I337-L340 WeakPolarHBondContact O-CB 3.39Å; I337-L340 PolarHBondContact O-N 3.27Å; I337-Y341 HydrophobicContact CG2-CD2 4.27Å; I337-Y341 HydrophobicContact CG2-CE2 3.77Å; I337-Y341 WeakPolarHBondContact O-CD2 3.38Å
338K59.4Low50.6Low98 Ų9870.3 Ų70.343%0.42639%0.391SS..Hα-helixtrans-62.1-37.6-179.1-162.8171.6-173.6173.80111.9Y334 D335 L340 Y341 N342Y334-K338 VanDerWaalsContact O-CB 3.26Å; Y334-K338 WeakPolarHBondContact O-CB 3.07Å; Y334-K338 PolarHBondContact O-N 3.28Å; D335-K338 PolarHBondContact O-N 3.3Å; K338-L340 PolarHBondContact O-N 3.26Å; K338-Y341 PolarHBondContact O-N 3.11Å; K338-Y341 VanDerWaalsContact O-N 3.14Å; K338-N342 PolarHBondContact O-N 3.06Å
339R60.7Low50.1Low146 Ų14673.6 Ų73.655%0.55141%0.414SS*.Hα-helixtrans-61.3-27.8173.5-72.8172.1-155.1-176.210.4113.4D335 I337 Y341D335-R339 WeakPolarHBondContact O-CB 3.42Å; D335-R339 WeakPolarHBondContact O-CG 3.31Å; D335-R339 PolarHBondContact O-N 2.97Å; D335-R339 IonicContact OD2-NH2 3.87Å; D335-R339 PolarHBondContact OD2-NH2 3.36Å; I337-R339 VanDerWaalsContact C-N 3.32Å; I337-R339 PolarHBondContact O-N 3.32Å; R339-Y341 VanDerWaalsContact C-N 3.26Å; R339-Y341 PolarHBondContact O-N 3.39Å
340L56.3Low49Very low54 Ų5477.1 Ų77.128%0.28343%0.427SS..Hα-helixtrans-70.1-23.2177.3-62.9168.5000112.9L12 A158 I337 K338L12-L340 HydrophobicContact CD2-CD1 4.32Å; A158-L340 HydrophobicContact CB-CD1 3.75Å; I337-L340 VanDerWaalsContact O-CB 3.28Å; I337-L340 WeakPolarHBondContact O-CB 3.39Å; I337-L340 PolarHBondContact O-N 3.27Å; K338-L340 PolarHBondContact O-N 3.26Å
341Y56.6Low48.1Very low26 Ų2684 Ų8410%0.10246%0.455CS..Hα-helixtrans-106-16.2-174.8-62.5-71000113.9H154 H157 R175 L179 I337 K338 R339H154-Y341 PolarHBondContact O-OH 3.2Å; H157-Y341 AromaticContact CE1-CE1 3.69Å; H157-Y341 AromaticContact ND1-CE1 3.44Å; H157-Y341 WeakPolarHBondContact ND1-CE1 3.3Å; H157-Y341 AromaticContact ND1-CZ 3.6Å; H157-Y341 PolarHBondContact ND1-OH 3.33Å; R175-Y341 HydrophobicContact CB-CD1 4.25Å; R175-Y341 HydrophobicContact CB-CE1 4.48Å; L179-Y341 HydrophobicContact CB-CE1 4.25Å; L179-Y341 HydrophobicContact CD2-CD1 4.18Å; L179-Y341 HydrophobicContact CD2-CD2 4.06Å; L179-Y341 HydrophobicContact CD2-CE1 3.81Å; L179-Y341 HydrophobicContact CD2-CE2 3.68Å; L179-Y341 HydrophobicContact CD2-CG 4.31Å; L179-Y341 HydrophobicContact CG-CE1 4.46Å; I337-Y341 HydrophobicContact CG2-CD2 4.27Å; I337-Y341 HydrophobicContact CG2-CE2 3.77Å; I337-Y341 WeakPolarHBondContact O-CD2 3.38Å; K338-Y341 PolarHBondContact O-N 3.11Å; K338-Y341 VanDerWaalsContact O-N 3.14Å; R339-Y341 VanDerWaalsContact C-N 3.26Å; R339-Y341 PolarHBondContact O-N 3.39Å
342N53.5Low47Very low94 Ų9482 Ų8250%0.50346%0.461SS..G310 helixtrans-87-6.8-178.2-75-13000114.7K338 D344 A345K338-N342 PolarHBondContact O-N 3.06Å; N342-D344 PolarHBondContact O-N 3.13Å; N342-A345 PolarHBondContact O-N 3.07Å
343E49.8Very low45.6Very low61 Ų6183 Ų8329%0.28548%0.48SS..G310 helixtrans-67.7-19.2-178.1-68.5-145.1128.500114.3M1 F3 A345 T346M1-E343 VanDerWaalsContact N-CD 3.31Å; M1-E343 PolarHBondContact N-OE1 3.16Å; M1-E343 PolarHBondContact N-OE2 2.88Å; F3-E343 VanDerWaalsContact CD2-OE2 3.31Å; F3-E343 WeakPolarHBondContact CD2-OE2 3.45Å; F3-E343 HydrophobicContact CE2-CG 4.03Å; F3-E343 WeakPolarHBondContact CE2-OE1 3.41Å; E343-A345 VanDerWaalsContact C-N 3.33Å; E343-T346 PolarHBondContact O-OG1 3.34Å
344D41.3Very low44.3Very low59 Ų5989.6 Ų89.632%0.31652%0.52SS..G310 helixtrans-81.8-10.9-179.5-62.3-32.4000113R175 N342 S347R175-D344 IonicContact CZ-OD1 2.75Å; R175-D344 IonicContact CZ-OD2 3.56Å; R175-D344 IonicContact NH1-OD1 3.96Å; R175-D344 PolarHBondContact NH1-OD1 3.43Å; R175-D344 IonicContact NH1-OD2 3.73Å; R175-D344 PolarHBondContact NH1-OD2 2.9Å; N342-D344 PolarHBondContact O-N 3.13Å; D344-S347 PolarHBondContact O-OG 3.45Å
345A36.9Very low43.3Very low83 Ų8392.8 Ų92.869%0.68655%0.548SS*.SBendtrans-85-20.9178.300000113.2N342 E343N342-A345 PolarHBondContact O-N 3.07Å; E343-A345 VanDerWaalsContact C-N 3.33Å
346T35.2Very low41.6Very low115 Ų11593 Ų9371%0.70657%0.568SS**SBendtrans-93.2-2.8-177.743.60000114.6E343E343-T346 PolarHBondContact O-OG1 3.34Å
347S32.9Very low40Very low100 Ų10096.9 Ų96.970%0.69961%0.607SS**THydrogen-bonded Turntrans-90.49.1179.747.20000114.8D344D344-S347 PolarHBondContact O-OG 3.45Å
348A32.4Very low38.6Very low89 Ų89100.3 Ų100.374%0.73665%0.645SS**THydrogen-bonded Turntrans-115.711.2-177.300000115.3
349V33.7Very low37.2Very low121 Ų121100.1 Ų100.173%0.73366%0.662SS**SBendtrans-138.2122.4173.3-170.90000110.6
350H30.6Very low35.6Very low172 Ų172104.2 Ų104.280%0.79668%0.679SS**  trans78.983.5176.1-84.9-69.6000118.7
351E29Very low34.4Very low205 Ų205107.4 Ų107.496%0.95871%0.705SS**  trans-108.8116.2136.1-84.2-165.3157.900108.8
352G28.7Very low33Very low69 Ų69110.2 Ų110.271%0.71174%0.743SS**  trans169.864.6178.200000112.1
353A27Very low31.7Very low98 Ų98109.1 Ų109.181%0.8175%0.753SS**  trans177.7107.3147.800000110.4
354T30.3Very low30.8Very low142 Ų142111.7 Ų111.787%0.87178%0.778SS**  trans-68.7144.8168.5-9.80000110.9
355P33.9Very low30.4Very low128 Ų128114.3 Ų114.383%0.83180%0.801SS**  trans-94.3122.5169.533.5-25.3000110
356G27.7Very low30.6Very low76 Ų76116.1 Ų116.178%0.78481%0.806SS**  trans-129110.5173.700000110.1
357G27.7Very low30.4Very low90 Ų90116.9 Ų116.993%0.92882%0.815SS**  trans-70.1146.6174.600000112.4
358G27.2Very low30.9Very low81 Ų81117.6 Ų117.684%0.83582%0.817SS**  trans-154.1120.8173.900000110.1
359A29.3Very low31.2Very low94 Ų94119.5 Ų119.578%0.77782%0.821SS**  trans-81.2153.1-176.700000113.3
360Y28.6Very low31.3Very low232 Ų232122 Ų12291%0.9183%0.83SS**  trans9.2121153.9-66-85.5000121.5
361S30.6Very low31.7Very low120 Ų120123 Ų12384%0.83984%0.835SS**  trans-177120.2130.258.40000106.4
362G27.1Very low32.8Very low86 Ų86118.2 Ų118.289%0.88782%0.821SS**  101.4107.958.400000108.9
363G26.8Very low33.1Very low70 Ų70121.6 Ų121.672%0.72283%0.828SS**  trans131.110216000000117.5
364S30Very low33.6Very low115 Ų115120.3 Ų120.380%0.80483%0.825SS**  trans52.6122.5132.964.40000118.8
365S32.6Very low33.9Very low115 Ų115118.2 Ų118.280%0.80482%0.821SS**  -166.616253.6-75.90000112.6
366P41.1Very low34.1Very low121 Ų121121.6 Ų121.679%0.78685%0.848SS**  trans-104.1148.1-165.837.4-26.5000112.8
367C31.4Very low34.4Very low131 Ų131123.9 Ų123.989%0.88585%0.852SS**  trans-121.4128.1159.2-780000108.9
368P43.8Very low34.8Very low114 Ų114125.7 Ų125.774%0.7485%0.848SS**PPolyproline II helixtrans-89.8167.6-171.736.9-34.6000112.5
369P38.5Very low35.2Very low129 Ų129128.2 Ų128.284%0.83885%0.848SS**PPolyproline II helixtrans-81.7140.6178.833.1-31.4000111.7
370L34.9Very low35.5Very low174 Ų174130.2 Ų130.291%0.91185%0.853SS**PPolyproline II helixtrans-80129.2174.5-72.2162.5000110.9
371Q40.5Very low36Very low193 Ų193123.8 Ų123.890%0.90285%0.849SS**  trans-148158.1150.4-97.8-156.4-45.500111.3
372P52.2Low36.3Very low104 Ų104124.1 Ų124.168%0.67585%0.85SS**  trans-108.1172.9-144.739.3-30.5000113.6
373V33.5Very low37Very low140 Ų140126.8 Ų126.885%0.84885%0.847SS**  trans161.3125.3133.2161.70000107.7
374G38.8Very low37.8Very low72 Ų72131.2 Ų131.274%0.74286%0.857SS**  trans-85.1172.3178.100000114
375A36.1Very low38.4Very low97 Ų97132.5 Ų132.580%0.80286%0.861SS**  trans-167.9138.3145.300000109.6
376S37.6Very low38.9Very low200 Ų200134.1 Ų134.1100%1.39987%0.866SS**  trans85.30166.4-59.10000118.5

Retrieved 376 of 376 residues in 239.6 ms (Link to these results)

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