A0A096M5M4_POEFO Loading...

AT-rich interactive domain-containing protein 3

Transcription factor involved in monocyte-to-macrophage differentiation. Forms a complex with NPM1 to translocate to the nucleus, acting as a transcription factor that promotes the expression of the genes involved in macrophage differentiation, such as STAT3, STAT1 and JUNB.

AlphaFold DB , UniProt , Accession A0A096M5M4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 278 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
1G43.2Very low54Low127 Ų12796.7 Ų96.7100%1.30958%0.58SS**  0132.1000000109.2P3G1-P3 WeakPolarHBondContact O-CD 3.46Å
2T45.2Very low54.7Low122 Ų122105.8 Ų105.875%0.74861%0.606SS**  trans-78.3116.2179-46.20000108.8V4T2-V4 PolarHBondContact O-N 2.95Å
3P48.6Very low55.8Low93 Ų93105.5 Ų105.560%0.60460%0.596SS**  trans-64.5134-175.924.6-32.3000111G1 N5G1-P3 WeakPolarHBondContact O-CD 3.46Å; P3-N5 PolarHBondContact O-N 3.31Å
4V51.4Low56.9Low78 Ų78105.4 Ų105.447%0.47360%0.598SS.*  trans-74.179.7175.9-173.70000108.7T2 R6 Y66T2-V4 PolarHBondContact O-N 2.95Å; V4-R6 VanDerWaalsContact C-N 3.28Å; V4-R6 PolarHBondContact O-N 2.88Å; V4-Y66 HydrophobicContact CB-CD1 4.2Å; V4-Y66 HydrophobicContact CB-CE1 3.9Å; V4-Y66 HydrophobicContact CG1-CD1 3.96Å; V4-Y66 HydrophobicContact CG1-CE1 3.62Å; V4-Y66 HydrophobicContact CG2-CD1 3.45Å; V4-Y66 VanDerWaalsContact CG2-CD1 3.45Å; V4-Y66 HydrophobicContact CG2-CE1 3.6Å; V4-Y66 HydrophobicContact CG2-CG 4.49Å
5N48.3Very low58.4Low129 Ų12998.7 Ų98.769%0.6956%0.56SS**  trans-72.7-16.5-171.2-115.8-32.1000114.2P3P3-N5 PolarHBondContact O-N 3.31Å
6R51.1Low60Low211 Ų21197.4 Ų97.480%0.79655%0.552SS**SBendtrans-151.9133.3171.4-62.5-168.9-172.5-162.52.8109.6V4V4-R6 VanDerWaalsContact C-N 3.28Å; V4-R6 PolarHBondContact O-N 2.88Å
7I61.5Low61.4Low92 Ų9294 Ų9447%0.47253%0.531SS..PPolyproline II helixtrans-67.2125.4166.9-57.4173.9000106.6I9 V14I7-I9 PolarHBondContact O-N 3.14Å; I7-I9 VanDerWaalsContact O-N 3.17Å; I7-V14 HydrophobicContact CB-CG1 4.43Å; I7-V14 HydrophobicContact CD1-CG1 4.37Å; I7-V14 HydrophobicContact CG2-CG1 3.7Å
8P59.3Low62.7Low19 Ų1997.2 Ų97.212%0.12354%0.535CS..PPolyproline II helixtrans-59.8121.4177.524.8-34.7000110L15 Q62 Y66P8-L15 HydrophobicContact CG-CB 4.37Å; P8-L15 HydrophobicContact CG-CD2 3.93Å; P8-L15 VanDerWaalsContact O-CB 3.31Å; P8-L15 WeakPolarHBondContact O-CB 3.37Å; P8-L15 PolarHBondContact O-N 2.99Å; P8-Q62 VanDerWaalsContact CB-CD 3.44Å; P8-Q62 HydrophobicContact CB-CG 3.77Å; P8-Q62 VanDerWaalsContact CB-OE1 3.28Å; P8-Q62 HydrophobicContact CG-CB 4.23Å; P8-Q62 HydrophobicContact CG-CG 3.73Å; P8-Q62 VanDerWaalsContact CG-OE1 3.25Å; P8-Y66 HydrophobicContact CG-CE2 4.48Å
9I63.3Low64Low128 Ų12895.2 Ų95.266%0.65652%0.522SS*.EExtended strand (participates in β ladder)trans-84.8125.5171.8-59174.8000107.2I7I7-I9 PolarHBondContact O-N 3.14Å; I7-I9 VanDerWaalsContact O-N 3.17Å
10M63.8Low65.2Low9 Ų990.5 Ų90.54%0.04450%0.496CS..EExtended strand (participates in β ladder)trans-123.5121.9180-165.9164.417500109.3K12 Q13 L48 I52 A55 T58 L59M10-K12 VanDerWaalsContact C-N 3.26Å; M10-K12 PolarHBondContact O-N 3.37Å; M10-Q13 PolarHBondContact N-O 3.02Å; M10-Q13 PolarHBondContact O-N 3.35Å; M10-Q13 VanDerWaalsContact O-O 3.1Å; M10-L48 HydrophobicContact SD-CD1 4.29Å; M10-I52 HydrophobicContact CE-CG2 4.36Å; M10-A55 HydrophobicContact CE-CB 3.65Å; M10-T58 HydrophobicContact CE-CG2 3.89Å; M10-T58 HydrophobicContact CG-CG2 4.24Å; M10-T58 HydrophobicContact SD-CG2 3.56Å; M10-T58 VanDerWaalsContact SD-CG2 3.56Å; M10-L59 HydrophobicContact CE-CG 4.16Å; M10-L59 HydrophobicContact SD-CD2 3.86Å; M10-L59 HydrophobicContact SD-CG 4.12Å
11A57.8Low66.3Low56 Ų5687.6 Ų87.646%0.46348%0.478SS..THydrogen-bonded Turntrans50.842.6-176.700000114.2Q13 I52A11-Q13 PolarHBondContact O-N 3.49Å; A11-I52 HydrophobicContact CB-CD1 3.45Å; A11-I52 VanDerWaalsContact CB-CD1 3.45Å; A11-I52 HydrophobicContact CB-CG1 4.2Å
12K62.3Low68.6Low205 Ų20585.7 Ų85.789%0.89143%0.433SS*.THydrogen-bonded Turntrans64.88.7-177.5-52.8179.1177.3179.80115M10M10-K12 VanDerWaalsContact C-N 3.26Å; M10-K12 PolarHBondContact O-N 3.37Å
13Q69.4Low70.8Confident103 Ų10381.4 Ų81.448%0.48141%0.406SS..EExtended strand (participates in β ladder)trans-109.8147.8170.4-67.3-159.9-35.400111M10 A11 L15 L48M10-Q13 PolarHBondContact N-O 3.02Å; M10-Q13 PolarHBondContact O-N 3.35Å; M10-Q13 VanDerWaalsContact O-O 3.1Å; A11-Q13 PolarHBondContact O-N 3.49Å; Q13-L15 PolarHBondContact O-N 3.2Å; Q13-L48 HydrophobicContact CB-CD2 4.47Å
14V71.9Confident72.8Confident103 Ų10377 Ų7762%0.62438%0.377SS*.EExtended strand (participates in β ladder)trans-71.1126.4173.4-179.50000107.5I7 D16I7-V14 HydrophobicContact CB-CG1 4.43Å; I7-V14 HydrophobicContact CD1-CG1 4.37Å; I7-V14 HydrophobicContact CG2-CG1 3.7Å; V14-D16 PolarHBondContact O-N 3.18Å
15L79Confident74.6Confident5 Ų573.9 Ų73.93%0.02636%0.359CS..  trans-71.7117.5177.1-176.864.7000109.8P8 Q13 L17 L20 L46 L48 L59 Q62P8-L15 HydrophobicContact CG-CB 4.37Å; P8-L15 HydrophobicContact CG-CD2 3.93Å; P8-L15 VanDerWaalsContact O-CB 3.31Å; P8-L15 WeakPolarHBondContact O-CB 3.37Å; P8-L15 PolarHBondContact O-N 2.99Å; Q13-L15 PolarHBondContact O-N 3.2Å; L15-L17 HydrophobicContact CD2-CD2 4.22Å; L15-L17 PolarHBondContact O-N 3.47Å; L15-L17 VanDerWaalsContact O-N 3.09Å; L15-L20 HydrophobicContact CD2-CD2 4.04Å; L15-L20 HydrophobicContact CG-CD2 4.48Å; L15-L46 HydrophobicContact CD1-CD1 4.13Å; L15-L48 HydrophobicContact CD1-CD1 4.31Å; L15-L59 HydrophobicContact CD1-CD2 3.58Å; L15-L59 HydrophobicContact CD2-CD2 4.17Å; L15-Q62 HydrophobicContact CD2-CB 4.13Å; L15-Q62 HydrophobicContact CD2-CG 4.26Å
16D83.8Confident76.6Confident79 Ų7973.5 Ų73.542%0.42235%0.352SS..  trans-73.599.9172.2-172.3-22.8000109.9V14 Y18 M19 L20V14-D16 PolarHBondContact O-N 3.18Å; D16-Y18 VanDerWaalsContact C-N 3.28Å; D16-Y18 PolarHBondContact O-N 3.49Å; D16-Y18 WeakPolarHBondContact OD1-CA 3.42Å; D16-Y18 WeakPolarHBondContact OD1-CB 3.18Å; D16-Y18 PolarHBondContact OD1-N 3.46Å; D16-M19 HydrophobicContact CB-CB 4.1Å; D16-M19 HydrophobicContact CB-CG 4.5Å; D16-M19 PolarHBondContact OD1-N 3.33Å; D16-M19 VanDerWaalsContact OD2-CG 3.3Å; D16-M19 WeakPolarHBondContact OD2-CG 3.2Å; D16-L20 VanDerWaalsContact O-CB 3.3Å; D16-L20 WeakPolarHBondContact O-CB 3.4Å; D16-L20 PolarHBondContact O-N 3.48Å
17L84.1Confident78.5Confident39 Ų3966.6 Ų66.620%0.20433%0.328CS..Hα-helixtrans-65.9-29.9179.7-66.2174.7000112.5L15 Y21 L67L15-L17 HydrophobicContact CD2-CD2 4.22Å; L15-L17 PolarHBondContact O-N 3.47Å; L15-L17 VanDerWaalsContact O-N 3.09Å; L17-Y21 WeakPolarHBondContact O-CB 3.36Å; L17-Y21 PolarHBondContact O-N 2.96Å; L17-L67 HydrophobicContact CD2-CD1 4.38Å
18Y84.1Confident79.8Confident152 Ų15263.8 Ų63.860%0.59632%0.322SS*.Hα-helixtrans-73.1-48.2180172.9-105.7000110.6D16 L20 Y21 K22D16-Y18 VanDerWaalsContact C-N 3.28Å; D16-Y18 PolarHBondContact O-N 3.49Å; D16-Y18 WeakPolarHBondContact OD1-CA 3.42Å; D16-Y18 WeakPolarHBondContact OD1-CB 3.18Å; D16-Y18 PolarHBondContact OD1-N 3.46Å; Y18-L20 VanDerWaalsContact C-N 3.3Å; Y18-L20 PolarHBondContact O-N 2.95Å; Y18-Y21 PolarHBondContact O-N 3.47Å; Y18-K22 WeakPolarHBondContact O-CB 3.47Å; Y18-K22 PolarHBondContact O-N 3.05Å
19M87.3Confident81.3Confident59 Ų5962.9 Ų62.929%0.29132%0.316SS..Hα-helixtrans-62.8-38.6174.5-77.3-65.110400112.1D16 K22 L23 L46D16-M19 HydrophobicContact CB-CB 4.1Å; D16-M19 HydrophobicContact CB-CG 4.5Å; D16-M19 PolarHBondContact OD1-N 3.33Å; D16-M19 VanDerWaalsContact OD2-CG 3.3Å; D16-M19 WeakPolarHBondContact OD2-CG 3.2Å; M19-K22 HydrophobicContact CE-CB 4.44Å; M19-K22 HydrophobicContact CE-CD 3.75Å; M19-K22 PolarHBondContact O-N 2.88Å; M19-L23 WeakPolarHBondContact O-CB 3.26Å; M19-L23 VanDerWaalsContact O-CG 3.29Å; M19-L23 WeakPolarHBondContact O-CG 3.25Å; M19-L23 PolarHBondContact O-N 3.4Å; M19-L46 HydrophobicContact CB-CD2 3.74Å
20L88.4Confident82.6Confident0 Ų056.8 Ų56.80%029%0.285CS..Hα-helixtrans-61.5-47175.6172.862000111.5L15 D16 Y18 V24 I42 L46 L59 Y63 L67L15-L20 HydrophobicContact CD2-CD2 4.04Å; L15-L20 HydrophobicContact CG-CD2 4.48Å; D16-L20 VanDerWaalsContact O-CB 3.3Å; D16-L20 WeakPolarHBondContact O-CB 3.4Å; D16-L20 PolarHBondContact O-N 3.48Å; Y18-L20 VanDerWaalsContact C-N 3.3Å; Y18-L20 PolarHBondContact O-N 2.95Å; L20-V24 HydrophobicContact CD1-CG2 3.87Å; L20-V24 WeakPolarHBondContact O-CB 3.33Å; L20-V24 VanDerWaalsContact O-CG2 3.27Å; L20-V24 WeakPolarHBondContact O-CG2 3.12Å; L20-V24 PolarHBondContact O-N 3.27Å; L20-I42 HydrophobicContact CD1-CG2 3.84Å; L20-L46 HydrophobicContact CB-CD1 4.24Å; L20-L46 HydrophobicContact CB-CD2 4.09Å; L20-L46 HydrophobicContact CD1-CD1 3.93Å; L20-L59 HydrophobicContact CD1-CD2 4.29Å; L20-L59 HydrophobicContact CD2-CD2 4.34Å; L20-Y63 HydrophobicContact CD1-CD2 4.09Å; L20-Y63 HydrophobicContact CD2-CD2 3.98Å; L20-Y63 HydrophobicContact CG-CD2 3.75Å; L20-Y63 HydrophobicContact CG-CE2 4.23Å; L20-L67 HydrophobicContact CB-CD1 4.39Å; L20-L67 HydrophobicContact CD2-CD1 3.87Å; L20-L67 HydrophobicContact CG-CD1 3.98Å
21Y89.1Confident83.9Confident30 Ų3056.4 Ų56.412%0.11828%0.283CS..Hα-helixtrans-59.4-47.3175.7176.5-103.5000111.8L17 Y18 V24 T25 L67 Y70 E71L17-Y21 WeakPolarHBondContact O-CB 3.36Å; L17-Y21 PolarHBondContact O-N 2.96Å; Y18-Y21 PolarHBondContact O-N 3.47Å; Y21-V24 PolarHBondContact O-N 2.9Å; Y21-T25 HydrophobicContact CD1-CG2 4.49Å; Y21-T25 HydrophobicContact CD2-CG2 3.9Å; Y21-T25 HydrophobicContact CE1-CG2 4.14Å; Y21-T25 HydrophobicContact CE2-CG2 3.49Å; Y21-T25 VanDerWaalsContact CE2-CG2 3.49Å; Y21-T25 HydrophobicContact CG-CG2 4.39Å; Y21-T25 WeakPolarHBondContact O-CB 3.35Å; Y21-T25 WeakPolarHBondContact O-CG2 3.32Å; Y21-T25 PolarHBondContact O-N 3.1Å; Y21-T25 PolarHBondContact O-OG1 2.8Å; Y21-L67 HydrophobicContact CD2-CD2 4.5Å; Y21-Y70 HydrophobicContact CD2-CD1 4.35Å; Y21-Y70 AromaticContact CE1-CE1 4Å; Y21-Y70 HydrophobicContact CE1-CE1 4Å; Y21-Y70 AromaticContact CE2-CD1 3.72Å; Y21-Y70 HydrophobicContact CE2-CD1 3.72Å; Y21-Y70 HydrophobicContact CE2-CE1 4.01Å; Y21-Y70 AromaticContact CZ-CD1 3.82Å; Y21-Y70 AromaticContact CZ-CE1 3.6Å; Y21-E71 HydrophobicContact CE2-CB 4.21Å
22K89.9Confident85.5Confident87 Ų8756.7 Ų56.738%0.37828%0.275SS..Hα-helixtrans-59.2-51.3179.9-173.5-179.9175.6-175.10111.5Y18 M19 V24 T25 E26Y18-K22 WeakPolarHBondContact O-CB 3.47Å; Y18-K22 PolarHBondContact O-N 3.05Å; M19-K22 HydrophobicContact CE-CB 4.44Å; M19-K22 HydrophobicContact CE-CD 3.75Å; M19-K22 PolarHBondContact O-N 2.88Å; K22-V24 PolarHBondContact O-N 2.81Å; K22-T25 PolarHBondContact O-N 2.82Å; K22-T25 PolarHBondContact O-OG1 3.47Å; K22-T25 VanDerWaalsContact O-OG1 3.07Å; K22-E26 WeakPolarHBondContact CE-OE1 3.16Å; K22-E26 WeakPolarHBondContact CG-OE1 3.41Å; K22-E26 WeakPolarHBondContact O-CB 3.21Å; K22-E26 VanDerWaalsContact O-CG 3.29Å; K22-E26 WeakPolarHBondContact O-CG 3.35Å; K22-E26 PolarHBondContact O-N 2.69Å
23L91.9Very high87Confident33 Ų3346.9 Ų46.917%0.17323%0.232CC..Hα-helixtrans-63.2-41-179-69.9168.5000112.5M19 K27 I42 L46M19-L23 WeakPolarHBondContact O-CB 3.26Å; M19-L23 VanDerWaalsContact O-CG 3.29Å; M19-L23 WeakPolarHBondContact O-CG 3.25Å; M19-L23 PolarHBondContact O-N 3.4Å; L23-K27 WeakPolarHBondContact O-CG 3.39Å; L23-K27 PolarHBondContact O-N 2.82Å; L23-I42 HydrophobicContact CB-CD1 4.01Å; L23-L46 HydrophobicContact CD1-CD2 3.98Å; L23-L46 HydrophobicContact CD1-CG 3.93Å
24V90.5Very high88.1Confident0 Ų042.1 Ų42.10%021%0.21CC..Hα-helixtrans-69.8-41.8179.7170.60000111.3L20 Y21 K22 K27 G28 G29 L30 V33 I42 Y63L20-V24 HydrophobicContact CD1-CG2 3.87Å; L20-V24 WeakPolarHBondContact O-CB 3.33Å; L20-V24 VanDerWaalsContact O-CG2 3.27Å; L20-V24 WeakPolarHBondContact O-CG2 3.12Å; L20-V24 PolarHBondContact O-N 3.27Å; Y21-V24 PolarHBondContact O-N 2.9Å; K22-V24 PolarHBondContact O-N 2.81Å; V24-K27 PolarHBondContact O-N 2.76Å; V24-K27 VanDerWaalsContact O-N 3.16Å; V24-G28 PolarHBondContact O-N 3.45Å; V24-G29 VanDerWaalsContact CG1-C 3.49Å; V24-G29 WeakPolarHBondContact O-CA 3.44Å; V24-G29 PolarHBondContact O-N 2.91Å; V24-L30 HydrophobicContact CG1-CB 4.35Å; V24-V33 HydrophobicContact CB-CG2 4.45Å; V24-V33 HydrophobicContact CG1-CG2 4.05Å; V24-V33 HydrophobicContact CG2-CG2 4.37Å; V24-I42 HydrophobicContact CG2-CD1 4.33Å; V24-I42 HydrophobicContact CG2-CG2 4.49Å; V24-Y63 HydrophobicContact CB-CD2 4.3Å; V24-Y63 HydrophobicContact CB-CE2 3.51Å; V24-Y63 HydrophobicContact CG1-CD2 4.36Å; V24-Y63 HydrophobicContact CG1-CE1 4.24Å; V24-Y63 HydrophobicContact CG1-CE2 3.62Å; V24-Y63 WeakPolarHBondContact CG1-OH 3.25Å; V24-Y63 HydrophobicContact CG2-CD2 3.94Å; V24-Y63 HydrophobicContact CG2-CE2 3.63Å
25T89Confident89Confident13 Ų1341.2 Ų41.28%0.0820%0.201CC..Hα-helixtrans-70.2-35.717952.30000112.9Y21 K22 K27 G28 E71 L77Y21-T25 HydrophobicContact CD1-CG2 4.49Å; Y21-T25 HydrophobicContact CD2-CG2 3.9Å; Y21-T25 HydrophobicContact CE1-CG2 4.14Å; Y21-T25 HydrophobicContact CE2-CG2 3.49Å; Y21-T25 VanDerWaalsContact CE2-CG2 3.49Å; Y21-T25 HydrophobicContact CG-CG2 4.39Å; Y21-T25 WeakPolarHBondContact O-CB 3.35Å; Y21-T25 WeakPolarHBondContact O-CG2 3.32Å; Y21-T25 PolarHBondContact O-N 3.1Å; Y21-T25 PolarHBondContact O-OG1 2.8Å; K22-T25 PolarHBondContact O-N 2.82Å; K22-T25 PolarHBondContact O-OG1 3.47Å; K22-T25 VanDerWaalsContact O-OG1 3.07Å; T25-K27 PolarHBondContact O-N 3.43Å; T25-G28 PolarHBondContact O-N 3.48Å; T25-G28 VanDerWaalsContact O-N 3.12Å; T25-E71 HydrophobicContact CG2-CG 4.42Å; T25-L77 HydrophobicContact CG2-CD1 4.43Å
26E91.8Very high89.6Confident120 Ų12047 Ų4756%0.56123%0.226SC*.Hα-helixtrans-60.3-26.6170.8-78.5175.5-179.200112.5K22K22-E26 WeakPolarHBondContact CE-OE1 3.16Å; K22-E26 WeakPolarHBondContact CG-OE1 3.41Å; K22-E26 WeakPolarHBondContact O-CB 3.21Å; K22-E26 VanDerWaalsContact O-CG 3.29Å; K22-E26 WeakPolarHBondContact O-CG 3.35Å; K22-E26 PolarHBondContact O-N 2.69Å
27K90.6Very high90Very high67 Ų6748.4 Ų48.429%0.29123%0.229SC..THydrogen-bonded Turntrans-916.5178.1-62.2-65.3177.8175.70114.4L23 V24 T25 E32 V33 I38 E41 I42L23-K27 WeakPolarHBondContact O-CG 3.39Å; L23-K27 PolarHBondContact O-N 2.82Å; V24-K27 PolarHBondContact O-N 2.76Å; V24-K27 VanDerWaalsContact O-N 3.16Å; T25-K27 PolarHBondContact O-N 3.43Å; K27-E32 WeakPolarHBondContact O-CG 3.2Å; K27-V33 HydrophobicContact CB-CG2 3.97Å; K27-I38 HydrophobicContact CB-CD1 3.65Å; K27-I38 HydrophobicContact CD-CD1 3.9Å; K27-I38 HydrophobicContact CG-CD1 3.75Å; K27-E41 WeakPolarHBondContact CE-OE1 3.01Å; K27-E41 WeakPolarHBondContact CE-OE2 3.49Å; K27-E41 IonicContact NZ-OE1 2.63Å; K27-E41 PolarHBondContact NZ-OE1 2.93Å; K27-E41 IonicContact NZ-OE2 2.61Å; K27-E41 PolarHBondContact NZ-OE2 3.35Å; K27-I42 HydrophobicContact CG-CD1 4.26Å
28G87.9Confident90.4Very high33 Ų3348.2 Ų48.234%0.3423%0.228SC..THydrogen-bonded Turntrans94.512.117900000114.7V24 T25V24-G28 PolarHBondContact O-N 3.45Å; T25-G28 PolarHBondContact O-N 3.48Å; T25-G28 VanDerWaalsContact O-N 3.12Å
29G91Very high90.8Very high0 Ų041.8 Ų41.80%020%0.202CC..  trans100.8178174.100000114.3V24 V31 E32 V33 E71V24-G29 VanDerWaalsContact CG1-C 3.49Å; V24-G29 WeakPolarHBondContact O-CA 3.44Å; V24-G29 PolarHBondContact O-N 2.91Å; G29-V31 PolarHBondContact O-N 2.84Å; G29-E32 PolarHBondContact O-N 3.41Å; G29-V33 WeakPolarHBondContact O-CG2 3.35Å; G29-V33 PolarHBondContact O-N 3.47Å; G29-E71 VanDerWaalsContact CA-OE1 3.23Å; G29-E71 WeakPolarHBondContact CA-OE1 3.3Å
30L89.9Confident90.9Very high0 Ų049 Ų490%023%0.226CC..Hα-helixtrans-63-40.9-171.8-179.364.9000112.8V24 E32 V33 I34 W39 Y63 M64 Y68 E71 L83V24-L30 HydrophobicContact CG1-CB 4.35Å; L30-E32 VanDerWaalsContact C-N 3.34Å; L30-V33 PolarHBondContact O-N 2.9Å; L30-I34 HydrophobicContact CD1-CD1 4.32Å; L30-I34 HydrophobicContact CG-CD1 4Å; L30-I34 VanDerWaalsContact O-CG1 3.3Å; L30-I34 WeakPolarHBondContact O-CG1 3.48Å; L30-I34 PolarHBondContact O-N 2.75Å; L30-I34 VanDerWaalsContact O-N 3.08Å; L30-W39 HydrophobicContact CD1-CH2 3.8Å; L30-W39 HydrophobicContact CD1-CZ2 4.35Å; L30-Y63 HydrophobicContact CB-CD1 4.08Å; L30-Y63 HydrophobicContact CB-CE1 3.95Å; L30-Y63 HydrophobicContact CD1-CD1 3.84Å; L30-Y63 HydrophobicContact CD1-CE1 4.44Å; L30-Y63 HydrophobicContact CD1-CG 3.98Å; L30-Y63 HydrophobicContact CD2-CD1 3.83Å; L30-Y63 HydrophobicContact CD2-CE1 4.44Å; L30-Y63 HydrophobicContact CG-CD1 4.12Å; L30-Y63 HydrophobicContact CG-CE1 4.49Å; L30-M64 HydrophobicContact CD2-CG 3.57Å; L30-Y68 HydrophobicContact CB-CD2 4.3Å; L30-Y68 HydrophobicContact CD2-CD2 3.88Å; L30-Y68 HydrophobicContact CD2-CE2 4.43Å; L30-Y68 HydrophobicContact CD2-CG 4.41Å; L30-E71 PolarHBondContact N-OE1 3.31Å; L30-L83 HydrophobicContact CD2-CD1 3.64Å; L30-L83 HydrophobicContact CD2-CD2 3.83Å; L30-L83 HydrophobicContact CD2-CG 4.42Å; L30-L83 HydrophobicContact CG-CD1 3.94Å
31V91.9Very high91.1Very high1 Ų153.3 Ų53.31%0.00625%0.247CC..Hα-helixtrans-62.7-44.4-179.4172.70000111G29 V33 I34 N35 S78 E82 L83 A86G29-V31 PolarHBondContact O-N 2.84Å; V31-V33 VanDerWaalsContact C-N 3.33Å; V31-V33 PolarHBondContact O-N 3.24Å; V31-I34 WeakPolarHBondContact O-CB 3.48Å; V31-I34 PolarHBondContact O-N 3.27Å; V31-I34 VanDerWaalsContact O-N 3.09Å; V31-N35 PolarHBondContact O-N 2.86Å; V31-S78 WeakPolarHBondContact CB-OG 3.3Å; V31-S78 WeakPolarHBondContact CG2-OG 3.19Å; V31-E82 HydrophobicContact CG1-CG 3.94Å; V31-E82 HydrophobicContact CG2-CG 4.45Å; V31-L83 HydrophobicContact CG2-CB 3.86Å; V31-L83 HydrophobicContact CG2-CD1 3.97Å; V31-A86 HydrophobicContact CG1-CB 4.03Å
32E92.6Very high91.2Very high61 Ų6152 Ų5229%0.28524%0.242SC..Hα-helixtrans-64.3-40.8-179.2-16459.6-161.800111.3K27 G29 L30 I34 N35 K36K27-E32 WeakPolarHBondContact O-CG 3.2Å; G29-E32 PolarHBondContact O-N 3.41Å; L30-E32 VanDerWaalsContact C-N 3.34Å; E32-I34 VanDerWaalsContact C-N 3.3Å; E32-I34 PolarHBondContact O-N 2.96Å; E32-N35 PolarHBondContact O-N 2.78Å; E32-K36 HydrophobicContact CG-CD 4.05Å; E32-K36 VanDerWaalsContact O-CB 3.32Å; E32-K36 WeakPolarHBondContact O-CB 3.38Å; E32-K36 PolarHBondContact O-N 3.37Å; E32-K36 VanDerWaalsContact OE1-CD 3.31Å; E32-K36 WeakPolarHBondContact OE1-CD 3.2Å; E32-K36 WeakPolarHBondContact OE1-CE 3.34Å; E32-K36 IonicContact OE1-NZ 3Å; E32-K36 PolarHBondContact OE1-NZ 2.88Å
33V93.4Very high91.3Very high0 Ų048.2 Ų48.20%023%0.226CC..Hα-helixtrans-60.6-39173.1171.60000111.8V24 K27 G29 L30 V31 K37 I38 W39 I42V24-V33 HydrophobicContact CB-CG2 4.45Å; V24-V33 HydrophobicContact CG1-CG2 4.05Å; V24-V33 HydrophobicContact CG2-CG2 4.37Å; K27-V33 HydrophobicContact CB-CG2 3.97Å; G29-V33 WeakPolarHBondContact O-CG2 3.35Å; G29-V33 PolarHBondContact O-N 3.47Å; L30-V33 PolarHBondContact O-N 2.9Å; V31-V33 VanDerWaalsContact C-N 3.33Å; V31-V33 PolarHBondContact O-N 3.24Å; V33-K37 PolarHBondContact O-N 2.79Å; V33-K37 VanDerWaalsContact O-N 3.12Å; V33-I38 HydrophobicContact CB-CD1 4.48Å; V33-I38 HydrophobicContact CB-CG1 4.2Å; V33-I38 HydrophobicContact CG1-CG1 4.1Å; V33-I38 HydrophobicContact CG2-CD1 3.95Å; V33-I38 HydrophobicContact CG2-CG1 4.14Å; V33-I38 PolarHBondContact O-N 2.95Å; V33-W39 HydrophobicContact CG1-CD2 3.81Å; V33-W39 HydrophobicContact CG1-CE3 3.93Å; V33-W39 HydrophobicContact CG1-CG 4.45Å; V33-W39 HydrophobicContact CG1-CH2 3.84Å; V33-W39 HydrophobicContact CG1-CZ2 3.73Å; V33-W39 HydrophobicContact CG1-CZ3 3.95Å; V33-I42 HydrophobicContact CG1-CG1 4.17Å; V33-I42 HydrophobicContact CG2-CD1 4.41Å
34I91.3Very high91.2Very high3 Ų353.2 Ų53.22%0.01525%0.246CC..Hα-helixtrans-69-47.3177.9-68.6165.9000111.2L30 V31 E32 K37 W39 R60 L83 A86 I87 N90L30-I34 HydrophobicContact CD1-CD1 4.32Å; L30-I34 HydrophobicContact CG-CD1 4Å; L30-I34 VanDerWaalsContact O-CG1 3.3Å; L30-I34 WeakPolarHBondContact O-CG1 3.48Å; L30-I34 PolarHBondContact O-N 2.75Å; L30-I34 VanDerWaalsContact O-N 3.08Å; V31-I34 WeakPolarHBondContact O-CB 3.48Å; V31-I34 PolarHBondContact O-N 3.27Å; V31-I34 VanDerWaalsContact O-N 3.09Å; E32-I34 VanDerWaalsContact C-N 3.3Å; E32-I34 PolarHBondContact O-N 2.96Å; I34-K37 PolarHBondContact O-N 3.29Å; I34-W39 HydrophobicContact CG1-CZ2 3.74Å; I34-R60 HydrophobicContact CD1-CG 4.22Å; I34-L83 HydrophobicContact CD1-CD1 3.39Å; I34-A86 HydrophobicContact CB-CB 4.37Å; I34-A86 HydrophobicContact CG2-CB 3.89Å; I34-I87 HydrophobicContact CD1-CG1 4.16Å; I34-N90 HydrophobicContact CG2-CB 4.4Å
35N91.4Very high91.1Very high83 Ų8354.6 Ų54.644%0.44426%0.26SS..Hα-helixtrans-65.8-46.8-178.2-76.4-21.9000111.6V31 E32 K37 A86V31-N35 PolarHBondContact O-N 2.86Å; E32-N35 PolarHBondContact O-N 2.78Å; N35-K37 PolarHBondContact O-N 3.49Å; N35-A86 VanDerWaalsContact OD1-CB 3.3Å; N35-A86 WeakPolarHBondContact OD1-CB 3.31Å
36K92.3Very high91Very high126 Ų12654.8 Ų54.855%0.54826%0.261SS..THydrogen-bonded Turntrans-77.1-7.3179-69-178.8162.6145.50113.8E32 I38E32-K36 HydrophobicContact CG-CD 4.05Å; E32-K36 VanDerWaalsContact O-CB 3.32Å; E32-K36 WeakPolarHBondContact O-CB 3.38Å; E32-K36 PolarHBondContact O-N 3.37Å; E32-K36 VanDerWaalsContact OE1-CD 3.31Å; E32-K36 WeakPolarHBondContact OE1-CD 3.2Å; E32-K36 WeakPolarHBondContact OE1-CE 3.34Å; E32-K36 IonicContact OE1-NZ 3Å; E32-K36 PolarHBondContact OE1-NZ 2.88Å; K36-I38 HydrophobicContact CB-CD1 4.48Å; K36-I38 HydrophobicContact CB-CG1 4.2Å; K36-I38 HydrophobicContact CB-CG2 3.86Å; K36-I38 PolarHBondContact O-N 2.84Å; K36-I38 VanDerWaalsContact O-N 3.15Å
37K92.1Very high90.6Very high109 Ų10956.9 Ų56.947%0.47427%0.27SS..THydrogen-bonded Turntrans52.732.1-177.2-58.5-179.9178.6176.30113.6V33 I34 N35 W39V33-K37 PolarHBondContact O-N 2.79Å; V33-K37 VanDerWaalsContact O-N 3.12Å; I34-K37 PolarHBondContact O-N 3.29Å; N35-K37 PolarHBondContact O-N 3.49Å; K37-W39 PolarHBondContact O-N 3.02Å; K37-W39 VanDerWaalsContact O-N 3.1Å
38I92.8Very high90.4Very high35 Ų3554.1 Ų54.118%0.17926%0.259CS..THydrogen-bonded Turntrans-81.820-17552.4172.1000114.2K27 V33 K36 R40 E41 I42K27-I38 HydrophobicContact CB-CD1 3.65Å; K27-I38 HydrophobicContact CD-CD1 3.9Å; K27-I38 HydrophobicContact CG-CD1 3.75Å; V33-I38 HydrophobicContact CB-CD1 4.48Å; V33-I38 HydrophobicContact CB-CG1 4.2Å; V33-I38 HydrophobicContact CG1-CG1 4.1Å; V33-I38 HydrophobicContact CG2-CD1 3.95Å; V33-I38 HydrophobicContact CG2-CG1 4.14Å; V33-I38 PolarHBondContact O-N 2.95Å; K36-I38 HydrophobicContact CB-CD1 4.48Å; K36-I38 HydrophobicContact CB-CG1 4.2Å; K36-I38 HydrophobicContact CB-CG2 3.86Å; K36-I38 PolarHBondContact O-N 2.84Å; K36-I38 VanDerWaalsContact O-N 3.15Å; I38-R40 PolarHBondContact O-N 3.2Å; I38-R40 VanDerWaalsContact O-N 3.08Å; I38-E41 WeakPolarHBondContact O-CB 3.14Å; I38-E41 PolarHBondContact O-N 3.35Å; I38-I42 PolarHBondContact O-N 3.44Å
39W91.1Very high90.2Very high18 Ų1855.7 Ų55.77%0.06826%0.262CS..Hα-helixtrans-54.6-30.7178.6-66.4104.4000113.9L30 V33 I34 K37 E41 I42 T43 A56 L59 R60L30-W39 HydrophobicContact CD1-CH2 3.8Å; L30-W39 HydrophobicContact CD1-CZ2 4.35Å; V33-W39 HydrophobicContact CG1-CD2 3.81Å; V33-W39 HydrophobicContact CG1-CE3 3.93Å; V33-W39 HydrophobicContact CG1-CG 4.45Å; V33-W39 HydrophobicContact CG1-CH2 3.84Å; V33-W39 HydrophobicContact CG1-CZ2 3.73Å; V33-W39 HydrophobicContact CG1-CZ3 3.95Å; I34-W39 HydrophobicContact CG1-CZ2 3.74Å; K37-W39 PolarHBondContact O-N 3.02Å; K37-W39 VanDerWaalsContact O-N 3.1Å; W39-E41 VanDerWaalsContact C-N 3.27Å; W39-E41 PolarHBondContact O-N 2.63Å; W39-I42 PolarHBondContact O-N 3.3Å; W39-T43 WeakPolarHBondContact O-CG2 3.16Å; W39-T43 PolarHBondContact O-N 2.93Å; W39-T43 PolarHBondContact O-OG1 2.73Å; W39-A56 HydrophobicContact CB-CB 3.61Å; W39-A56 HydrophobicContact CD2-CB 3.9Å; W39-A56 HydrophobicContact CG-CB 3.4Å; W39-L59 HydrophobicContact CE3-CB 4.01Å; W39-L59 HydrophobicContact CE3-CD1 4.27Å; W39-L59 HydrophobicContact CZ3-CB 3.67Å; W39-R60 HydrophobicContact CH2-CB 3.53Å; W39-R60 HydrophobicContact CH2-CG 4.17Å; W39-R60 HydrophobicContact CZ2-CB 3.67Å; W39-R60 HydrophobicContact CZ2-CG 4.07Å; W39-R60 HydrophobicContact CZ3-CB 4.34Å
40R90.5Very high89.7Confident209 Ų20960.1 Ų60.179%0.78929%0.29SS*.Hα-helixtrans-65.5-28.5175.7-68.5-174.1177.8-146.1-0.1113.3I38 T43 K44I38-R40 PolarHBondContact O-N 3.2Å; I38-R40 VanDerWaalsContact O-N 3.08Å; R40-T43 WeakPolarHBondContact CA-OG1 3.39Å; R40-T43 PolarHBondContact O-OG1 3Å; R40-T43 VanDerWaalsContact O-OG1 3.08Å; R40-K44 VanDerWaalsContact O-CG 3.31Å; R40-K44 WeakPolarHBondContact O-CG 3.4Å; R40-K44 PolarHBondContact O-N 2.61Å
41E92.4Very high89.3Confident92 Ų9264.9 Ų64.943%0.4332%0.323SS..Hα-helixtrans-78.4-41176.1-166.1-180176.400110.3K27 I38 W39 T43 K44 G45K27-E41 WeakPolarHBondContact CE-OE1 3.01Å; K27-E41 WeakPolarHBondContact CE-OE2 3.49Å; K27-E41 IonicContact NZ-OE1 2.63Å; K27-E41 PolarHBondContact NZ-OE1 2.93Å; K27-E41 IonicContact NZ-OE2 2.61Å; K27-E41 PolarHBondContact NZ-OE2 3.35Å; I38-E41 WeakPolarHBondContact O-CB 3.14Å; I38-E41 PolarHBondContact O-N 3.35Å; W39-E41 VanDerWaalsContact C-N 3.27Å; W39-E41 PolarHBondContact O-N 2.63Å; E41-T43 PolarHBondContact O-N 3.07Å; E41-K44 WeakPolarHBondContact O-CB 3.48Å; E41-K44 PolarHBondContact O-N 3.43Å; E41-G45 PolarHBondContact O-N 3.39Å
42I91.6Very high89Confident2 Ų266.5 Ų66.51%0.0133%0.331CS..Hα-helixtrans-60.9-44.2176.2-53.5-58.5000111L20 L23 V24 K27 V33 I38 W39 K44 G45 L46 L59L20-I42 HydrophobicContact CD1-CG2 3.84Å; L23-I42 HydrophobicContact CB-CD1 4.01Å; V24-I42 HydrophobicContact CG2-CD1 4.33Å; V24-I42 HydrophobicContact CG2-CG2 4.49Å; K27-I42 HydrophobicContact CG-CD1 4.26Å; V33-I42 HydrophobicContact CG1-CG1 4.17Å; V33-I42 HydrophobicContact CG2-CD1 4.41Å; I38-I42 PolarHBondContact O-N 3.44Å; W39-I42 PolarHBondContact O-N 3.3Å; I42-K44 VanDerWaalsContact C-N 3.32Å; I42-K44 PolarHBondContact O-N 2.92Å; I42-G45 PolarHBondContact O-N 3.43Å; I42-L46 HydrophobicContact CG2-CD1 3.94Å; I42-L46 HydrophobicContact CG2-CG 4.47Å; I42-L46 WeakPolarHBondContact O-CB 3.29Å; I42-L46 VanDerWaalsContact O-CG 3.3Å; I42-L46 WeakPolarHBondContact O-CG 3.38Å; I42-L46 PolarHBondContact O-N 2.94Å; I42-L59 HydrophobicContact CG2-CD1 4.18Å
43T90.5Very high88.6Confident7 Ų770.5 Ų70.54%0.04336%0.36CS..Hα-helixtrans-63.7-37177.751.90000112.8W39 R40 E41 L46 H47 L48 A55 L59W39-T43 WeakPolarHBondContact O-CG2 3.16Å; W39-T43 PolarHBondContact O-N 2.93Å; W39-T43 PolarHBondContact O-OG1 2.73Å; R40-T43 WeakPolarHBondContact CA-OG1 3.39Å; R40-T43 PolarHBondContact O-OG1 3Å; R40-T43 VanDerWaalsContact O-OG1 3.08Å; E41-T43 PolarHBondContact O-N 3.07Å; T43-L46 PolarHBondContact O-N 3.25Å; T43-H47 PolarHBondContact O-N 2.94Å; T43-L48 PolarHBondContact O-N 3.12Å; T43-A55 HydrophobicContact CG2-CB 3.59Å; T43-L59 HydrophobicContact CG2-CD1 3.74Å
44K90.1Very high88.1Confident139 Ų13973.8 Ų73.860%0.60438%0.383SS*.Hα-helixtrans-64.4-45.4174.1-74.5176.1179.7-173.10111.9R40 E41 I42 L46 H47 T50R40-K44 VanDerWaalsContact O-CG 3.31Å; R40-K44 WeakPolarHBondContact O-CG 3.4Å; R40-K44 PolarHBondContact O-N 2.61Å; E41-K44 WeakPolarHBondContact O-CB 3.48Å; E41-K44 PolarHBondContact O-N 3.43Å; I42-K44 VanDerWaalsContact C-N 3.32Å; I42-K44 PolarHBondContact O-N 2.92Å; K44-L46 PolarHBondContact O-N 3.16Å; K44-H47 PolarHBondContact O-N 3.46Å; K44-H47 VanDerWaalsContact O-N 3.08Å; K44-T50 HydrophobicContact CG-CG2 3.72Å
45G88.3Confident87.9Confident29 Ų2973.8 Ų73.830%0.29938%0.384SS..Hα-helixtrans-65.3-26.8177.600000113.5E41 I42 H47E41-G45 PolarHBondContact O-N 3.39Å; I42-G45 PolarHBondContact O-N 3.43Å; G45-H47 VanDerWaalsContact C-N 3.28Å
46L86.8Confident87.7Confident16 Ų1671.5 Ų71.58%0.08438%0.376CS..THydrogen-bonded Turntrans-85.43.8174.3-67.5174.7000113.9L15 M19 L20 L23 I42 T43 K44 L48 L59L15-L46 HydrophobicContact CD1-CD1 4.13Å; M19-L46 HydrophobicContact CB-CD2 3.74Å; L20-L46 HydrophobicContact CB-CD1 4.24Å; L20-L46 HydrophobicContact CB-CD2 4.09Å; L20-L46 HydrophobicContact CD1-CD1 3.93Å; L23-L46 HydrophobicContact CD1-CD2 3.98Å; L23-L46 HydrophobicContact CD1-CG 3.93Å; I42-L46 HydrophobicContact CG2-CD1 3.94Å; I42-L46 HydrophobicContact CG2-CG 4.47Å; I42-L46 WeakPolarHBondContact O-CB 3.29Å; I42-L46 VanDerWaalsContact O-CG 3.3Å; I42-L46 WeakPolarHBondContact O-CG 3.38Å; I42-L46 PolarHBondContact O-N 2.94Å; T43-L46 PolarHBondContact O-N 3.25Å; K44-L46 PolarHBondContact O-N 3.16Å; L46-L48 HydrophobicContact CB-CD1 4.05Å; L46-L48 HydrophobicContact CB-CG 3.93Å; L46-L48 HydrophobicContact CD1-CD1 4.23Å; L46-L48 PolarHBondContact O-N 3.12Å; L46-L48 VanDerWaalsContact O-N 3.13Å; L46-L59 HydrophobicContact CD1-CD1 4.21Å; L46-L59 HydrophobicContact CD1-CD2 3.89Å
47H85.2Confident87.6Confident164 Ų16472.3 Ų72.376%0.75938%0.38SS*.THydrogen-bonded Turntrans55.425.2-174.8-51.6112.8000114T43 K44 G45T43-H47 PolarHBondContact O-N 2.94Å; K44-H47 PolarHBondContact O-N 3.46Å; K44-H47 VanDerWaalsContact O-N 3.08Å; G45-H47 VanDerWaalsContact C-N 3.28Å
48L84.9Confident87.4Confident10 Ų1069 Ų695%0.05237%0.369CS..  trans-85.2144176.4-63.3175.8000109.9M10 Q13 L15 T43 L46 T50 I52 L59M10-L48 HydrophobicContact SD-CD1 4.29Å; Q13-L48 HydrophobicContact CB-CD2 4.47Å; L15-L48 HydrophobicContact CD1-CD1 4.31Å; T43-L48 PolarHBondContact O-N 3.12Å; L46-L48 HydrophobicContact CB-CD1 4.05Å; L46-L48 HydrophobicContact CB-CG 3.93Å; L46-L48 HydrophobicContact CD1-CD1 4.23Å; L46-L48 PolarHBondContact O-N 3.12Å; L46-L48 VanDerWaalsContact O-N 3.13Å; L48-T50 PolarHBondContact O-N 2.9Å; L48-I52 HydrophobicContact CB-CD1 4.46Å; L48-L59 HydrophobicContact CD1-CD2 4.4Å
49P83.9Confident87.2Confident65 Ų6567.4 Ų67.442%0.42236%0.361SS..  trans-63127.2178.921-27.2000110.6S51 I52P49-S51 PolarHBondContact O-N 3.23Å; P49-S51 VanDerWaalsContact O-N 3.12Å; P49-I52 HydrophobicContact CG-CD1 3.74Å; P49-I52 HydrophobicContact CG-CG1 4.05Å; P49-I52 WeakPolarHBondContact O-CD1 3.33Å; P49-I52 VanDerWaalsContact O-CG1 3.29Å; P49-I52 WeakPolarHBondContact O-CG1 3.41Å; P49-I52 PolarHBondContact O-N 3.45Å
50T81.2Confident87.2Confident93 Ų9368.5 Ų68.557%0.57137%0.365SS*.THydrogen-bonded Turntrans-69.6-8.9-176.255.20000113.9K44 L48 I52K44-T50 HydrophobicContact CG-CG2 3.72Å; L48-T50 PolarHBondContact O-N 2.9Å; T50-I52 PolarHBondContact O-N 2.96Å
51S82.2Confident87.1Confident100 Ų10061.2 Ų61.270%0.69934%0.344SS*.THydrogen-bonded Turntrans-73.3-9175.254.30000113.5P49 T53P49-S51 PolarHBondContact O-N 3.23Å; P49-S51 VanDerWaalsContact O-N 3.12Å; S51-T53 PolarHBondContact O-N 3.09Å
52I84.1Confident86.7Confident35 Ų3558.5 Ų58.518%0.17933%0.331CS..  trans-73.599.1178-55.8162.6000109.6M10 A11 L48 P49 T50 S54 A55M10-I52 HydrophobicContact CE-CG2 4.36Å; A11-I52 HydrophobicContact CB-CD1 3.45Å; A11-I52 VanDerWaalsContact CB-CD1 3.45Å; A11-I52 HydrophobicContact CB-CG1 4.2Å; L48-I52 HydrophobicContact CB-CD1 4.46Å; P49-I52 HydrophobicContact CG-CD1 3.74Å; P49-I52 HydrophobicContact CG-CG1 4.05Å; P49-I52 WeakPolarHBondContact O-CD1 3.33Å; P49-I52 VanDerWaalsContact O-CG1 3.29Å; P49-I52 WeakPolarHBondContact O-CG1 3.41Å; P49-I52 PolarHBondContact O-N 3.45Å; T50-I52 PolarHBondContact O-N 2.96Å; I52-S54 VanDerWaalsContact C-N 3.28Å; I52-S54 PolarHBondContact O-N 3.08Å; I52-A55 HydrophobicContact CB-CB 3.95Å; I52-A55 HydrophobicContact CG2-CB 3.82Å; I52-A55 VanDerWaalsContact O-CB 3.27Å; I52-A55 WeakPolarHBondContact O-CB 3.29Å; I52-A55 PolarHBondContact O-N 3.46Å; I52-A55 VanDerWaalsContact O-N 3.15Å
53T85.5Confident86.5Confident146 Ų14658.4 Ų58.490%0.89633%0.331SS*.THydrogen-bonded Turntrans-59.4-36.7179.3-47.50000112.9S51 A55S51-T53 PolarHBondContact O-N 3.09Å; T53-A55 PolarHBondContact O-N 3.35Å
54S82.8Confident86.4Confident68 Ų6861.2 Ų61.248%0.47634%0.344SS..THydrogen-bonded Turntrans-82.75-178.854.90000114I52 A56 F57 T58I52-S54 VanDerWaalsContact C-N 3.28Å; I52-S54 PolarHBondContact O-N 3.08Å; S54-A56 PolarHBondContact O-N 3.39Å; S54-F57 PolarHBondContact O-N 3.13Å; S54-T58 PolarHBondContact O-N 2.99Å; S54-T58 PolarHBondContact O-OG1 3.08Å
55A85.4Confident86Confident4 Ų460.3 Ų60.33%0.03334%0.34CS..Hα-helixtrans-63.6-43-167.500000113.6M10 T43 I52 T53 F57 T58 L59M10-A55 HydrophobicContact CE-CB 3.65Å; T43-A55 HydrophobicContact CG2-CB 3.59Å; I52-A55 HydrophobicContact CB-CB 3.95Å; I52-A55 HydrophobicContact CG2-CB 3.82Å; I52-A55 VanDerWaalsContact O-CB 3.27Å; I52-A55 WeakPolarHBondContact O-CB 3.29Å; I52-A55 PolarHBondContact O-N 3.46Å; I52-A55 VanDerWaalsContact O-N 3.15Å; T53-A55 PolarHBondContact O-N 3.35Å; A55-F57 VanDerWaalsContact C-N 3.32Å; A55-F57 PolarHBondContact O-N 3.35Å; A55-T58 PolarHBondContact O-N 2.97Å; A55-L59 VanDerWaalsContact O-CB 3.31Å; A55-L59 WeakPolarHBondContact O-CB 3.44Å; A55-L59 VanDerWaalsContact O-CG 3.25Å; A55-L59 WeakPolarHBondContact O-CG 3.2Å; A55-L59 PolarHBondContact O-N 3.41Å
56A88.7Confident85.6Confident35 Ų3560.9 Ų60.929%0.28933%0.334SS..Hα-helixtrans-57.2-45.7177.200000112.1W39 S54 R60W39-A56 HydrophobicContact CB-CB 3.61Å; W39-A56 HydrophobicContact CD2-CB 3.9Å; W39-A56 HydrophobicContact CG-CB 3.4Å; S54-A56 PolarHBondContact O-N 3.39Å; A56-R60 WeakPolarHBondContact O-CB 3.31Å; A56-R60 PolarHBondContact O-N 3.45Å; A56-R60 VanDerWaalsContact O-N 3.08Å
57F88.6Confident85.5Confident143 Ų14361 Ų6163%0.62733%0.334SS*.Hα-helixtrans-66.7-49.4-179.3179.7-99.8000111.2S54 A55 R60 T61S54-F57 PolarHBondContact O-N 3.13Å; A55-F57 VanDerWaalsContact C-N 3.32Å; A55-F57 PolarHBondContact O-N 3.35Å; F57-R60 PolarHBondContact O-N 2.98Å; F57-T61 PolarHBondContact O-N 3.02Å; F57-T61 PolarHBondContact O-OG1 3.29Å
58T88.1Confident85.4Confident40 Ų4054.2 Ų54.225%0.24530%0.302CS..Hα-helixtrans-61.1-51.3-180-55.80000111.2M10 S54 A55 R60 T61 Q62M10-T58 HydrophobicContact CE-CG2 3.89Å; M10-T58 HydrophobicContact CG-CG2 4.24Å; M10-T58 HydrophobicContact SD-CG2 3.56Å; M10-T58 VanDerWaalsContact SD-CG2 3.56Å; S54-T58 PolarHBondContact O-N 2.99Å; S54-T58 PolarHBondContact O-OG1 3.08Å; A55-T58 PolarHBondContact O-N 2.97Å; T58-R60 VanDerWaalsContact C-N 3.31Å; T58-R60 PolarHBondContact O-N 3.34Å; T58-T61 PolarHBondContact O-N 2.9Å; T58-Q62 HydrophobicContact CG2-CG 4.29Å; T58-Q62 VanDerWaalsContact O-CG 3.3Å; T58-Q62 WeakPolarHBondContact O-CG 3.46Å; T58-Q62 PolarHBondContact O-N 3.08Å
59L89.4Confident85.3Confident0 Ų057.5 Ų57.50%032%0.324CS..Hα-helixtrans-57.9-44.7-179.7-71.5176.1000111.3M10 L15 L20 W39 I42 T43 L46 L48 A55 Q62 Y63M10-L59 HydrophobicContact CE-CG 4.16Å; M10-L59 HydrophobicContact SD-CD2 3.86Å; M10-L59 HydrophobicContact SD-CG 4.12Å; L15-L59 HydrophobicContact CD1-CD2 3.58Å; L15-L59 HydrophobicContact CD2-CD2 4.17Å; L20-L59 HydrophobicContact CD1-CD2 4.29Å; L20-L59 HydrophobicContact CD2-CD2 4.34Å; W39-L59 HydrophobicContact CE3-CB 4.01Å; W39-L59 HydrophobicContact CE3-CD1 4.27Å; W39-L59 HydrophobicContact CZ3-CB 3.67Å; I42-L59 HydrophobicContact CG2-CD1 4.18Å; T43-L59 HydrophobicContact CG2-CD1 3.74Å; L46-L59 HydrophobicContact CD1-CD1 4.21Å; L46-L59 HydrophobicContact CD1-CD2 3.89Å; L48-L59 HydrophobicContact CD1-CD2 4.4Å; A55-L59 VanDerWaalsContact O-CB 3.31Å; A55-L59 WeakPolarHBondContact O-CB 3.44Å; A55-L59 VanDerWaalsContact O-CG 3.25Å; A55-L59 WeakPolarHBondContact O-CG 3.2Å; A55-L59 PolarHBondContact O-N 3.41Å; L59-Q62 PolarHBondContact O-N 3.23Å; L59-Y63 VanDerWaalsContact O-CB 3.23Å; L59-Y63 WeakPolarHBondContact O-CB 3.34Å; L59-Y63 PolarHBondContact O-N 3.35Å
60R90.2Very high85.2Confident42 Ų4259 Ų5916%0.15832%0.322CS..Hα-helixtrans-59.1-49.8176.5-178.2177.6148.5-151.2-27.9112.4I34 W39 A56 F57 T58 Q62 Y63 M64I34-R60 HydrophobicContact CD1-CG 4.22Å; W39-R60 HydrophobicContact CH2-CB 3.53Å; W39-R60 HydrophobicContact CH2-CG 4.17Å; W39-R60 HydrophobicContact CZ2-CB 3.67Å; W39-R60 HydrophobicContact CZ2-CG 4.07Å; W39-R60 HydrophobicContact CZ3-CB 4.34Å; A56-R60 WeakPolarHBondContact O-CB 3.31Å; A56-R60 PolarHBondContact O-N 3.45Å; A56-R60 VanDerWaalsContact O-N 3.08Å; F57-R60 PolarHBondContact O-N 2.98Å; T58-R60 VanDerWaalsContact C-N 3.31Å; T58-R60 PolarHBondContact O-N 3.34Å; R60-Q62 VanDerWaalsContact C-N 3.33Å; R60-Q62 PolarHBondContact O-N 3.15Å; R60-Y63 PolarHBondContact O-N 2.89Å; R60-M64 HydrophobicContact CG-CG 4.49Å; R60-M64 HydrophobicContact CG-SD 4.12Å; R60-M64 WeakPolarHBondContact O-CB 3.22Å; R60-M64 VanDerWaalsContact O-CG 3.3Å; R60-M64 WeakPolarHBondContact O-CG 2.84Å; R60-M64 PolarHBondContact O-N 3.32Å
61T88.4Confident85.3Confident56 Ų5654.6 Ų54.634%0.34430%0.295SS..Hα-helixtrans-63-41.2-179.7-61.60000111.5F57 T58 K65F57-T61 PolarHBondContact O-N 3.02Å; F57-T61 PolarHBondContact O-OG1 3.29Å; T58-T61 PolarHBondContact O-N 2.9Å; T61-K65 WeakPolarHBondContact O-CB 3.3Å; T61-K65 PolarHBondContact O-N 3.42Å; T61-K65 VanDerWaalsContact O-N 3.15Å
62Q85.1Confident85.3Confident35 Ų3551.8 Ų51.816%0.16428%0.275CS..Hα-helixtrans-66-42.1176.6-63.1-46.4-46.700111.7P8 L15 T58 L59 R60 K65 Y66P8-Q62 VanDerWaalsContact CB-CD 3.44Å; P8-Q62 HydrophobicContact CB-CG 3.77Å; P8-Q62 VanDerWaalsContact CB-OE1 3.28Å; P8-Q62 HydrophobicContact CG-CB 4.23Å; P8-Q62 HydrophobicContact CG-CG 3.73Å; P8-Q62 VanDerWaalsContact CG-OE1 3.25Å; L15-Q62 HydrophobicContact CD2-CB 4.13Å; L15-Q62 HydrophobicContact CD2-CG 4.26Å; T58-Q62 HydrophobicContact CG2-CG 4.29Å; T58-Q62 VanDerWaalsContact O-CG 3.3Å; T58-Q62 WeakPolarHBondContact O-CG 3.46Å; T58-Q62 PolarHBondContact O-N 3.08Å; L59-Q62 PolarHBondContact O-N 3.23Å; R60-Q62 VanDerWaalsContact C-N 3.33Å; R60-Q62 PolarHBondContact O-N 3.15Å; Q62-K65 PolarHBondContact O-N 3.39Å; Q62-Y66 WeakPolarHBondContact O-CD2 3.39Å; Q62-Y66 PolarHBondContact O-N 3.4Å; Q62-Y66 VanDerWaalsContact OE1-CE2 3.27Å
63Y87.6Confident84.8Confident0 Ų058.2 Ų58.20%030%0.304CS..Hα-helixtrans-62-48.5177.8-162.6-73.6000111.6L20 V24 L30 L59 R60 K65 Y66 L67 Y68 E71L20-Y63 HydrophobicContact CD1-CD2 4.09Å; L20-Y63 HydrophobicContact CD2-CD2 3.98Å; L20-Y63 HydrophobicContact CG-CD2 3.75Å; L20-Y63 HydrophobicContact CG-CE2 4.23Å; V24-Y63 HydrophobicContact CB-CD2 4.3Å; V24-Y63 HydrophobicContact CB-CE2 3.51Å; V24-Y63 HydrophobicContact CG1-CD2 4.36Å; V24-Y63 HydrophobicContact CG1-CE1 4.24Å; V24-Y63 HydrophobicContact CG1-CE2 3.62Å; V24-Y63 WeakPolarHBondContact CG1-OH 3.25Å; V24-Y63 HydrophobicContact CG2-CD2 3.94Å; V24-Y63 HydrophobicContact CG2-CE2 3.63Å; L30-Y63 HydrophobicContact CB-CD1 4.08Å; L30-Y63 HydrophobicContact CB-CE1 3.95Å; L30-Y63 HydrophobicContact CD1-CD1 3.84Å; L30-Y63 HydrophobicContact CD1-CE1 4.44Å; L30-Y63 HydrophobicContact CD1-CG 3.98Å; L30-Y63 HydrophobicContact CD2-CD1 3.83Å; L30-Y63 HydrophobicContact CD2-CE1 4.44Å; L30-Y63 HydrophobicContact CG-CD1 4.12Å; L30-Y63 HydrophobicContact CG-CE1 4.49Å; L59-Y63 VanDerWaalsContact O-CB 3.23Å; L59-Y63 WeakPolarHBondContact O-CB 3.34Å; L59-Y63 PolarHBondContact O-N 3.35Å; R60-Y63 PolarHBondContact O-N 2.89Å; Y63-K65 PolarHBondContact O-N 3.44Å; Y63-Y66 PolarHBondContact O-N 3.4Å; Y63-L67 HydrophobicContact CD1-CB 3.95Å; Y63-L67 HydrophobicContact CD2-CB 4.07Å; Y63-L67 HydrophobicContact CD2-CD1 3.57Å; Y63-L67 HydrophobicContact CD2-CG 4.46Å; Y63-L67 HydrophobicContact CE1-CB 3.88Å; Y63-L67 HydrophobicContact CE2-CB 3.98Å; Y63-L67 HydrophobicContact CE2-CD1 3.66Å; Y63-L67 HydrophobicContact CE2-CG 4.49Å; Y63-L67 HydrophobicContact CG-CB 4.06Å; Y63-L67 HydrophobicContact CG-CD1 4.21Å; Y63-L67 WeakPolarHBondContact O-CA 3.46Å; Y63-L67 PolarHBondContact O-N 2.99Å; Y63-Y68 PolarHBondContact O-N 3.17Å; Y63-E71 WeakPolarHBondContact CE1-OE2 3.46Å; Y63-E71 PolarHBondContact OH-OE2 3.4Å
64M87.5Confident84.3Confident65 Ų6556.8 Ų56.832%0.3229%0.285SS..Hα-helixtrans-56.8-38.1176.7-74.1-179.569.500112.3L30 R60 L83 I87L30-M64 HydrophobicContact CD2-CG 3.57Å; R60-M64 HydrophobicContact CG-CG 4.49Å; R60-M64 HydrophobicContact CG-SD 4.12Å; R60-M64 WeakPolarHBondContact O-CB 3.22Å; R60-M64 VanDerWaalsContact O-CG 3.3Å; R60-M64 WeakPolarHBondContact O-CG 2.84Å; R60-M64 PolarHBondContact O-N 3.32Å; M64-L83 HydrophobicContact CE-CD2 3.82Å; M64-L83 HydrophobicContact CE-CG 4.45Å; M64-L83 HydrophobicContact CG-CD2 4.09Å; M64-L83 HydrophobicContact SD-CD2 4.27Å; M64-I87 HydrophobicContact CE-CD1 3.84Å; M64-I87 HydrophobicContact SD-CD1 3.85Å
65K82.3Confident84Confident120 Ų12061 Ų6152%0.52229%0.291SS..Hα-helixtrans-75.9-39.3-176.3-172.3177.3178.7-167.80113.2T61 Q62 Y63T61-K65 WeakPolarHBondContact O-CB 3.3Å; T61-K65 PolarHBondContact O-N 3.42Å; T61-K65 VanDerWaalsContact O-N 3.15Å; Q62-K65 PolarHBondContact O-N 3.39Å; Y63-K65 PolarHBondContact O-N 3.44Å
66Y79.9Confident83.6Confident42 Ų4263.3 Ų63.317%0.16532%0.316CS..Hα-helixtrans-115-31.4-166.9-63.9-60.2000114.9V4 P8 Q62 Y63V4-Y66 HydrophobicContact CB-CD1 4.2Å; V4-Y66 HydrophobicContact CB-CE1 3.9Å; V4-Y66 HydrophobicContact CG1-CD1 3.96Å; V4-Y66 HydrophobicContact CG1-CE1 3.62Å; V4-Y66 HydrophobicContact CG2-CD1 3.45Å; V4-Y66 VanDerWaalsContact CG2-CD1 3.45Å; V4-Y66 HydrophobicContact CG2-CE1 3.6Å; V4-Y66 HydrophobicContact CG2-CG 4.49Å; P8-Y66 HydrophobicContact CG-CE2 4.48Å; Q62-Y66 WeakPolarHBondContact O-CD2 3.39Å; Q62-Y66 PolarHBondContact O-N 3.4Å; Q62-Y66 VanDerWaalsContact OE1-CE2 3.27Å; Y63-Y66 PolarHBondContact O-N 3.4Å
67L84.1Confident83.1Confident19 Ų1965 Ų6510%0.09932%0.319CS..THydrogen-bonded Turntrans-111.4-31.2-170-65.6172.1000112.9L17 L20 Y21 Y63 Y70 E71L17-L67 HydrophobicContact CD2-CD1 4.38Å; L20-L67 HydrophobicContact CB-CD1 4.39Å; L20-L67 HydrophobicContact CD2-CD1 3.87Å; L20-L67 HydrophobicContact CG-CD1 3.98Å; Y21-L67 HydrophobicContact CD2-CD2 4.5Å; Y63-L67 HydrophobicContact CD1-CB 3.95Å; Y63-L67 HydrophobicContact CD2-CB 4.07Å; Y63-L67 HydrophobicContact CD2-CD1 3.57Å; Y63-L67 HydrophobicContact CD2-CG 4.46Å; Y63-L67 HydrophobicContact CE1-CB 3.88Å; Y63-L67 HydrophobicContact CE2-CB 3.98Å; Y63-L67 HydrophobicContact CE2-CD1 3.66Å; Y63-L67 HydrophobicContact CE2-CG 4.49Å; Y63-L67 HydrophobicContact CG-CB 4.06Å; Y63-L67 HydrophobicContact CG-CD1 4.21Å; Y63-L67 WeakPolarHBondContact O-CA 3.46Å; Y63-L67 PolarHBondContact O-N 2.99Å; L67-Y70 WeakPolarHBondContact O-CB 3.36Å; L67-Y70 PolarHBondContact O-N 2.92Å; L67-Y70 VanDerWaalsContact O-N 3.09Å; L67-E71 PolarHBondContact O-N 3Å
68Y83Confident82.7Confident21 Ų2158.8 Ų58.88%0.08229%0.293CS..Hα-helixtrans-60.6-42.2-176.4-173.7-109.4000114.4L30 Y63 Y70 E71 C72 S79 P80 L83L30-Y68 HydrophobicContact CB-CD2 4.3Å; L30-Y68 HydrophobicContact CD2-CD2 3.88Å; L30-Y68 HydrophobicContact CD2-CE2 4.43Å; L30-Y68 HydrophobicContact CD2-CG 4.41Å; Y63-Y68 PolarHBondContact O-N 3.17Å; Y68-Y70 PolarHBondContact O-N 3.09Å; Y68-E71 PolarHBondContact O-N 3.37Å; Y68-C72 PolarHBondContact O-N 3.25Å; Y68-C72 PolarHBondContact O-SG 3.44Å; Y68-C72 VanDerWaalsContact O-SG 3.39Å; Y68-S79 PolarHBondContact OH-O 3.01Å; Y68-P80 HydrophobicContact CE1-CB 4.44Å; Y68-P80 WeakPolarHBondContact OH-CA 3.17Å; Y68-P80 VanDerWaalsContact OH-N 3.12Å; Y68-L83 HydrophobicContact CD1-CD2 4.05Å; Y68-L83 HydrophobicContact CD2-CD2 4.09Å; Y68-L83 HydrophobicContact CE1-CD2 3.68Å; Y68-L83 HydrophobicContact CE2-CD2 3.74Å; Y68-L83 HydrophobicContact CG-CD2 4.23Å
69P84.2Confident82.6Confident79 Ų7959.7 Ų59.751%0.51330%0.301SS..Hα-helixtrans-57.6-37.9174.1-23.934.5000112.6E73P69-E73 PolarHBondContact O-N 3.09Å
70Y79.9Confident82.3Confident96 Ų9664 Ų6438%0.37633%0.33SS..Hα-helixtrans-73.3-38.4178.4179.4-100.2000112.4Y21 L67 Y68 E73 K74Y21-Y70 HydrophobicContact CD2-CD1 4.35Å; Y21-Y70 AromaticContact CE1-CE1 4Å; Y21-Y70 HydrophobicContact CE1-CE1 4Å; Y21-Y70 AromaticContact CE2-CD1 3.72Å; Y21-Y70 HydrophobicContact CE2-CD1 3.72Å; Y21-Y70 HydrophobicContact CE2-CE1 4.01Å; Y21-Y70 AromaticContact CZ-CD1 3.82Å; Y21-Y70 AromaticContact CZ-CE1 3.6Å; L67-Y70 WeakPolarHBondContact O-CB 3.36Å; L67-Y70 PolarHBondContact O-N 2.92Å; L67-Y70 VanDerWaalsContact O-N 3.09Å; Y68-Y70 PolarHBondContact O-N 3.09Å; Y70-E73 PolarHBondContact O-N 2.9Å; Y70-K74 HydrophobicContact CD2-CG 4.22Å; Y70-K74 HydrophobicContact CE1-CD 4.45Å; Y70-K74 HydrophobicContact CE1-CG 4.19Å; Y70-K74 HydrophobicContact CE2-CD 4.05Å; Y70-K74 HydrophobicContact CE2-CG 3.69Å; Y70-K74 WeakPolarHBondContact O-CB 3.41Å; Y70-K74 PolarHBondContact O-N 3.28Å; Y70-K74 WeakPolarHBondContact OH-CD 3.38Å; Y70-K74 WeakPolarHBondContact OH-CE 3.43Å; Y70-K74 PolarHBondContact OH-NZ 3.05Å
71E84Confident82.1Confident0 Ų064.5 Ų64.50%035%0.348CS..Hα-helixtrans-61.1-45.3174.3-176-175.5140.900111.6Y21 T25 G29 L30 Y63 L67 Y68 E73 R75 G76 L77Y21-E71 HydrophobicContact CE2-CB 4.21Å; T25-E71 HydrophobicContact CG2-CG 4.42Å; G29-E71 VanDerWaalsContact CA-OE1 3.23Å; G29-E71 WeakPolarHBondContact CA-OE1 3.3Å; L30-E71 PolarHBondContact N-OE1 3.31Å; Y63-E71 WeakPolarHBondContact CE1-OE2 3.46Å; Y63-E71 PolarHBondContact OH-OE2 3.4Å; L67-E71 PolarHBondContact O-N 3Å; Y68-E71 PolarHBondContact O-N 3.37Å; E71-E73 VanDerWaalsContact C-N 3.34Å; E71-E73 PolarHBondContact O-N 2.53Å; E71-R75 WeakPolarHBondContact O-CA 3.3Å; E71-R75 WeakPolarHBondContact O-CB 3.31Å; E71-R75 PolarHBondContact O-N 3.49Å; E71-G76 PolarHBondContact O-N 3.46Å; E71-G76 VanDerWaalsContact O-N 3.09Å; E71-L77 HydrophobicContact CG-CD1 4.38Å
72C81.9Confident82.1Confident41 Ų4166.3 Ų66.328%0.27735%0.352SS..Hα-helixtrans-60.7-43.6177.9-68.70000111.7Y68 G76 S78Y68-C72 PolarHBondContact O-N 3.25Å; Y68-C72 PolarHBondContact O-SG 3.44Å; Y68-C72 VanDerWaalsContact O-SG 3.39Å; C72-G76 WeakPolarHBondContact O-CA 3.49Å; C72-G76 PolarHBondContact O-N 3.41Å; C72-S78 PolarHBondContact SG-O 3.2Å
73E74.3Confident82.3Confident170 Ų17064.9 Ų64.979%0.79435%0.346SS*.Hα-helixtrans-72.1-42-178.4-171.3177.1-17500113P69 Y70 E71P69-E73 PolarHBondContact O-N 3.09Å; Y70-E73 PolarHBondContact O-N 2.9Å; E71-E73 VanDerWaalsContact C-N 3.34Å; E71-E73 PolarHBondContact O-N 2.53Å
74K75.7Confident82.4Confident117 Ų11770 Ų7051%0.50937%0.37SS..Hα-helixtrans-87-32.7-175.1-82.9-116.6179.4175.20115Y70Y70-K74 HydrophobicContact CD2-CG 4.22Å; Y70-K74 HydrophobicContact CE1-CD 4.45Å; Y70-K74 HydrophobicContact CE1-CG 4.19Å; Y70-K74 HydrophobicContact CE2-CD 4.05Å; Y70-K74 HydrophobicContact CE2-CG 3.69Å; Y70-K74 WeakPolarHBondContact O-CB 3.41Å; Y70-K74 PolarHBondContact O-N 3.28Å; Y70-K74 WeakPolarHBondContact OH-CD 3.38Å; Y70-K74 WeakPolarHBondContact OH-CE 3.43Å; Y70-K74 PolarHBondContact OH-NZ 3.05Å
75R75.8Confident82.6Confident155 Ų15570 Ų7059%0.58538%0.379SS*.THydrogen-bonded Turntrans-123.1-26.5-169.1-68.1-88.7-172.8153.6-0.5112.8E71 L77E71-R75 WeakPolarHBondContact O-CA 3.3Å; E71-R75 WeakPolarHBondContact O-CB 3.31Å; E71-R75 PolarHBondContact O-N 3.49Å; R75-L77 HydrophobicContact CB-CD1 3.87Å; R75-L77 HydrophobicContact CB-CG 3.83Å; R75-L77 HydrophobicContact CG-CD1 4.41Å; R75-L77 PolarHBondContact O-N 3.25Å; R75-L77 VanDerWaalsContact O-N 3.12Å
76G78Confident82.9Confident54 Ų5464.5 Ų64.556%0.55736%0.357SS*.  trans59.223.4178.200000114.6E71 C72 S78E71-G76 PolarHBondContact O-N 3.46Å; E71-G76 VanDerWaalsContact O-N 3.09Å; C72-G76 WeakPolarHBondContact O-CA 3.49Å; C72-G76 PolarHBondContact O-N 3.41Å; G76-S78 PolarHBondContact O-N 3Å
77L77Confident83.4Confident69 Ų6963.3 Ų63.336%0.36135%0.353SS..  trans-68-22-172.4-69.8164.4000113.5T25 E71 R75T25-L77 HydrophobicContact CG2-CD1 4.43Å; E71-L77 HydrophobicContact CG-CD1 4.38Å; R75-L77 HydrophobicContact CB-CD1 3.87Å; R75-L77 HydrophobicContact CB-CG 3.83Å; R75-L77 HydrophobicContact CG-CD1 4.41Å; R75-L77 PolarHBondContact O-N 3.25Å; R75-L77 VanDerWaalsContact O-N 3.12Å
78S81.4Confident83.7Confident13 Ų1366.8 Ų66.89%0.09137%0.372CS..  trans-153.2151.3-177.2-46.50000111.8V31 C72 G76V31-S78 WeakPolarHBondContact CB-OG 3.3Å; V31-S78 WeakPolarHBondContact CG2-OG 3.19Å; C72-S78 PolarHBondContact SG-O 3.2Å; G76-S78 PolarHBondContact O-N 3Å
79S84.1Confident83.9Confident59 Ų5969.5 Ų69.541%0.41339%0.394SS..  trans-99.1152.8172.571.90000112.2Y68 G81 E82 L83Y68-S79 PolarHBondContact OH-O 3.01Å; S79-G81 PolarHBondContact O-N 3.49Å; S79-E82 PolarHBondContact N-OE2 3.41Å; S79-E82 WeakPolarHBondContact O-CB 3.3Å; S79-E82 PolarHBondContact O-N 2.95Å; S79-E82 VanDerWaalsContact O-N 3.1Å; S79-E82 WeakPolarHBondContact OG-CB 3.5Å; S79-E82 PolarHBondContact OG-N 3.45Å; S79-L83 PolarHBondContact O-N 3.27Å
80P83.9Confident84Confident92 Ų9267.6 Ų67.660%0.59738%0.379SS*.Hα-helixtrans-60.1-28.6179.219.2-30.4000113.2Y68 Q84Y68-P80 HydrophobicContact CE1-CB 4.44Å; Y68-P80 WeakPolarHBondContact OH-CA 3.17Å; Y68-P80 VanDerWaalsContact OH-N 3.12Å; P80-Q84 PolarHBondContact O-N 3.1Å; P80-Q84 VanDerWaalsContact O-N 3.12Å
81G86.6Confident84.1Confident52 Ų5271.1 Ų71.154%0.53639%0.392SS..Hα-helixtrans-69.1-43173.900000112.8S79 Q84 A85S79-G81 PolarHBondContact O-N 3.49Å; G81-Q84 PolarHBondContact O-N 3.37Å; G81-A85 PolarHBondContact O-N 3.12Å
82E88.3Confident83.7Confident93 Ų9379.4 Ų79.444%0.43542%0.423SS..Hα-helixtrans-65.9-41.1177-171.8-174.3-175.600111.8V31 S79 Q84 A85 A86V31-E82 HydrophobicContact CG1-CG 3.94Å; V31-E82 HydrophobicContact CG2-CG 4.45Å; S79-E82 PolarHBondContact N-OE2 3.41Å; S79-E82 WeakPolarHBondContact O-CB 3.3Å; S79-E82 PolarHBondContact O-N 2.95Å; S79-E82 VanDerWaalsContact O-N 3.1Å; S79-E82 WeakPolarHBondContact OG-CB 3.5Å; S79-E82 PolarHBondContact OG-N 3.45Å; E82-Q84 VanDerWaalsContact C-N 3.33Å; E82-Q84 PolarHBondContact O-N 3.12Å; E82-A85 PolarHBondContact O-N 3.25Å; E82-A86 PolarHBondContact O-N 3.27Å
83L89.4Confident83.3Confident5 Ų580.4 Ų80.43%0.02642%0.424CS..Hα-helixtrans-57.1-48172178.661000111L30 V31 I34 M64 Y68 S79 A85 A86 I87L30-L83 HydrophobicContact CD2-CD1 3.64Å; L30-L83 HydrophobicContact CD2-CD2 3.83Å; L30-L83 HydrophobicContact CD2-CG 4.42Å; L30-L83 HydrophobicContact CG-CD1 3.94Å; V31-L83 HydrophobicContact CG2-CB 3.86Å; V31-L83 HydrophobicContact CG2-CD1 3.97Å; I34-L83 HydrophobicContact CD1-CD1 3.39Å; M64-L83 HydrophobicContact CE-CD2 3.82Å; M64-L83 HydrophobicContact CE-CG 4.45Å; M64-L83 HydrophobicContact CG-CD2 4.09Å; M64-L83 HydrophobicContact SD-CD2 4.27Å; Y68-L83 HydrophobicContact CD1-CD2 4.05Å; Y68-L83 HydrophobicContact CD2-CD2 4.09Å; Y68-L83 HydrophobicContact CE1-CD2 3.68Å; Y68-L83 HydrophobicContact CE2-CD2 3.74Å; Y68-L83 HydrophobicContact CG-CD2 4.23Å; S79-L83 PolarHBondContact O-N 3.27Å; L83-A85 VanDerWaalsContact C-N 3.3Å; L83-A85 PolarHBondContact O-N 3.35Å; L83-A86 PolarHBondContact O-N 3.29Å; L83-I87 HydrophobicContact CD1-CD1 3.92Å; L83-I87 HydrophobicContact CD1-CG1 4.21Å; L83-I87 HydrophobicContact CG-CD1 3.77Å; L83-I87 HydrophobicContact CG-CG1 4.45Å; L83-I87 WeakPolarHBondContact O-CB 3.49Å; L83-I87 WeakPolarHBondContact O-CD1 3.41Å; L83-I87 WeakPolarHBondContact O-CG1 3.32Å; L83-I87 PolarHBondContact O-N 2.88Å
84Q89.8Confident82.8Confident109 Ų10976.1 Ų76.151%0.50941%0.413SS..Hα-helixtrans-62.2-36.9179.3-169.256.850.100112.8P80 G81 E82 I87 D88P80-Q84 PolarHBondContact O-N 3.1Å; P80-Q84 VanDerWaalsContact O-N 3.12Å; G81-Q84 PolarHBondContact O-N 3.37Å; E82-Q84 VanDerWaalsContact C-N 3.33Å; E82-Q84 PolarHBondContact O-N 3.12Å; Q84-I87 WeakPolarHBondContact O-CB 3.39Å; Q84-I87 PolarHBondContact O-N 3.09Å; Q84-D88 PolarHBondContact O-N 2.84Å
85A90.9Very high82.2Confident63 Ų6379.6 Ų79.652%0.52142%0.423SS..Hα-helixtrans-65.3-44.8175.600000112.4G81 E82 L83 I87 D88 S89G81-A85 PolarHBondContact O-N 3.12Å; E82-A85 PolarHBondContact O-N 3.25Å; L83-A85 VanDerWaalsContact C-N 3.3Å; L83-A85 PolarHBondContact O-N 3.35Å; A85-I87 VanDerWaalsContact C-N 3.28Å; A85-I87 PolarHBondContact O-N 3.08Å; A85-D88 PolarHBondContact O-N 3.3Å; A85-S89 WeakPolarHBondContact O-CB 3.49Å; A85-S89 PolarHBondContact O-N 3.38Å
86A89.5Confident81.6Confident6 Ų680.3 Ų80.35%0.0543%0.425CS..Hα-helixtrans-61.6-38.6176.400000112V31 I34 N35 E82 L83 N90V31-A86 HydrophobicContact CG1-CB 4.03Å; I34-A86 HydrophobicContact CB-CB 4.37Å; I34-A86 HydrophobicContact CG2-CB 3.89Å; N35-A86 VanDerWaalsContact OD1-CB 3.3Å; N35-A86 WeakPolarHBondContact OD1-CB 3.31Å; E82-A86 PolarHBondContact O-N 3.27Å; L83-A86 PolarHBondContact O-N 3.29Å; A86-N90 WeakPolarHBondContact O-CB 3.42Å; A86-N90 PolarHBondContact O-N 3.44Å; A86-N90 VanDerWaalsContact O-N 3.13Å
87I90.2Very high80.7Confident17 Ų1783.3 Ų83.39%0.08743%0.425CS..Hα-helixtrans-63-48176.1-68.6174.4000111.7I34 M64 L83 Q84 A85 N90 R91I34-I87 HydrophobicContact CD1-CG1 4.16Å; M64-I87 HydrophobicContact CE-CD1 3.84Å; M64-I87 HydrophobicContact SD-CD1 3.85Å; L83-I87 HydrophobicContact CD1-CD1 3.92Å; L83-I87 HydrophobicContact CD1-CG1 4.21Å; L83-I87 HydrophobicContact CG-CD1 3.77Å; L83-I87 HydrophobicContact CG-CG1 4.45Å; L83-I87 WeakPolarHBondContact O-CB 3.49Å; L83-I87 WeakPolarHBondContact O-CD1 3.41Å; L83-I87 WeakPolarHBondContact O-CG1 3.32Å; L83-I87 PolarHBondContact O-N 2.88Å; Q84-I87 WeakPolarHBondContact O-CB 3.39Å; Q84-I87 PolarHBondContact O-N 3.09Å; A85-I87 VanDerWaalsContact C-N 3.28Å; A85-I87 PolarHBondContact O-N 3.08Å; I87-N90 PolarHBondContact O-N 2.88Å; I87-R91 PolarHBondContact O-N 3.4Å
88D89.1Confident79.6Confident92 Ų9286.1 Ų86.149%0.49244%0.44SS..Hα-helixtrans-67.9-39.3-178-169.645.7000111.5Q84 A85 N90 R91 R92Q84-D88 PolarHBondContact O-N 2.84Å; A85-D88 PolarHBondContact O-N 3.3Å; D88-N90 VanDerWaalsContact C-N 3.31Å; D88-N90 PolarHBondContact O-N 3.4Å; D88-R91 WeakPolarHBondContact O-CB 3.3Å; D88-R91 PolarHBondContact O-N 3.04Å; D88-R91 VanDerWaalsContact O-N 3.11Å; D88-R92 PolarHBondContact O-N 2.98Å
89S88.6Confident78.3Confident77 Ų7793.3 Ų93.354%0.53847%0.467SS..Hα-helixtrans-54.7-46.9171.5-175.70000111.8A85 R91 R92 E93A85-S89 WeakPolarHBondContact O-CB 3.49Å; A85-S89 PolarHBondContact O-N 3.38Å; S89-R91 VanDerWaalsContact C-N 3.34Å; S89-R91 PolarHBondContact O-N 2.98Å; S89-R92 PolarHBondContact O-N 3.23Å; S89-E93 PolarHBondContact O-N 3.1Å
90N84.8Confident76.9Confident40 Ų4094.1 Ų94.121%0.21447%0.472CS..Hα-helixtrans-65.9-35.2178-161-38.3000112.6I34 A86 I87 D88 S94I34-N90 HydrophobicContact CG2-CB 4.4Å; A86-N90 WeakPolarHBondContact O-CB 3.42Å; A86-N90 PolarHBondContact O-N 3.44Å; A86-N90 VanDerWaalsContact O-N 3.13Å; I87-N90 PolarHBondContact O-N 2.88Å; D88-N90 VanDerWaalsContact C-N 3.31Å; D88-N90 PolarHBondContact O-N 3.4Å; N90-S94 PolarHBondContact O-N 3.27Å; N90-S94 PolarHBondContact O-OG 2.89Å; N90-S94 VanDerWaalsContact O-OG 3.1Å
91R83.9Confident75.4Confident169 Ų16993.4 Ų93.464%0.63847%0.469SS*.Hα-helixtrans-67.5-36.7175.6-168.1179.2-177.5174.90.1112.2I87 D88 S89I87-R91 PolarHBondContact O-N 3.4Å; D88-R91 WeakPolarHBondContact O-CB 3.3Å; D88-R91 PolarHBondContact O-N 3.04Å; D88-R91 VanDerWaalsContact O-N 3.11Å; S89-R91 VanDerWaalsContact C-N 3.34Å; S89-R91 PolarHBondContact O-N 2.98Å
92R75.4Confident74Confident175 Ų17594.9 Ų94.966%0.6647%0.468SS*.Hα-helixtrans-73-40178.7-163.2173.1-169.81792.9112D88 S89 S94 R95 R96D88-R92 PolarHBondContact O-N 2.98Å; S89-R92 PolarHBondContact O-N 3.23Å; R92-S94 VanDerWaalsContact C-N 3.3Å; R92-S94 PolarHBondContact O-N 2.83Å; R92-R95 PolarHBondContact O-N 3.26Å; R92-R96 PolarHBondContact O-N 3.39Å
93E72.8Confident72.5Confident62 Ų6295.1 Ų95.129%0.2947%0.471SS..Hα-helixtrans-60.1-41178.3-17454.8-156.100112S89 R95 R96 Q97S89-E93 PolarHBondContact O-N 3.1Å; E93-R95 PolarHBondContact O-N 3.32Å; E93-R95 VanDerWaalsContact O-N 3.11Å; E93-R96 PolarHBondContact O-N 3.2Å; E93-R96 VanDerWaalsContact O-N 3.08Å; E93-Q97 PolarHBondContact O-N 2.79Å; E93-Q97 PolarHBondContact OE1-NE2 3.03Å; E93-Q97 PolarHBondContact OE1-OE1 3.15Å
94S63.4Low70.4Confident80 Ų80103.8 Ų103.856%0.55951%0.509SS*.Hα-helixtrans-56.5-29.5174.7-59.90000113.2N90 R92N90-S94 PolarHBondContact O-N 3.27Å; N90-S94 PolarHBondContact O-OG 2.89Å; N90-S94 VanDerWaalsContact O-OG 3.1Å; R92-S94 VanDerWaalsContact C-N 3.3Å; R92-S94 PolarHBondContact O-N 2.83Å
95R64.4Low68.5Low190 Ų190103 Ų10372%0.71752%0.516SS*.Hα-helixtrans-86.5-27179.8-133.6-172.5-71-154.33.3112.9R92 E93R92-R95 PolarHBondContact O-N 3.26Å; E93-R95 PolarHBondContact O-N 3.32Å; E93-R95 VanDerWaalsContact O-N 3.11Å
96R62Low66.3Low170 Ų170108.9 Ų108.964%0.64253%0.526SS*.Hα-helixtrans-73.1-39.1178.2-98-177.4167.4171.6-4.9112.8R92 E93 N98 Y99 S100R92-R96 PolarHBondContact O-N 3.39Å; E93-R96 PolarHBondContact O-N 3.2Å; E93-R96 VanDerWaalsContact O-N 3.08Å; R96-N98 PolarHBondContact O-N 3.31Å; R96-N98 VanDerWaalsContact O-N 3.16Å; R96-Y99 PolarHBondContact O-N 3.44Å; R96-S100 PolarHBondContact O-N 2.97Å
97Q60.1Low64Low117 Ų117114.7 Ų114.755%0.54757%0.566SS.*Hα-helixtrans-57.1-30.3174.9-110.197.14800112.4E93E93-Q97 PolarHBondContact O-N 2.79Å; E93-Q97 PolarHBondContact OE1-NE2 3.03Å; E93-Q97 PolarHBondContact OE1-OE1 3.15Å
98N52.5Low61.7Low128 Ų128120.6 Ų120.668%0.68460%0.603SS**Hα-helixtrans-79.2-17.8-176-157.865.8000114.7R96 S101R96-N98 PolarHBondContact O-N 3.31Å; R96-N98 VanDerWaalsContact O-N 3.16Å; N98-S101 PolarHBondContact O-OG 3.19Å
99Y55Low59.4Low164 Ų164120.7 Ų120.764%0.64362%0.616SS**Hα-helixtrans-99.7-27.7177-171.6-100.8000112.1R96 S101 T102 I103R96-Y99 PolarHBondContact O-N 3.44Å; Y99-S101 VanDerWaalsContact C-N 3.27Å; Y99-S101 PolarHBondContact O-N 3.24Å; Y99-T102 PolarHBondContact O-OG1 3.34Å; Y99-T102 VanDerWaalsContact O-OG1 3.13Å; Y99-I103 HydrophobicContact CD1-CD1 4.04Å; Y99-I103 HydrophobicContact CE1-CD1 3.45Å; Y99-I103 VanDerWaalsContact CE1-CD1 3.45Å
100S53.9Low57Low76 Ų76122.4 Ų122.453%0.53163%0.628SS.*Hα-helixtrans-72.2-18.8179.1-168.40000113.6R96R96-S100 PolarHBondContact O-N 2.97Å
101S52.6Low55.3Low76 Ų76126 Ų12653%0.53165%0.653SS.*THydrogen-bonded Turntrans-78.8-16.9179.7540000114N98 Y99N98-S101 PolarHBondContact O-OG 3.19Å; Y99-S101 VanDerWaalsContact C-N 3.27Å; Y99-S101 PolarHBondContact O-N 3.24Å
102T57.6Low53.1Low84 Ų84126.6 Ų126.652%0.51566%0.664SS.*SBendtrans-97.2-10.4-178.552.80000114.2Y99Y99-T102 PolarHBondContact O-OG1 3.34Å; Y99-T102 VanDerWaalsContact O-OG1 3.13Å
103I57.4Low51.1Low97 Ų97124.3 Ų124.350%0.49767%0.669SS.*SBendtrans-89.6-14.8-178.1-76.6174.2000113.3Y99Y99-I103 HydrophobicContact CD1-CD1 4.04Å; Y99-I103 HydrophobicContact CE1-CD1 3.45Å; Y99-I103 VanDerWaalsContact CE1-CD1 3.45Å
104F45.6Very low49.4Very low188 Ų188126.4 Ų126.483%0.82569%0.691SS**SBendtrans-9511.2-178.7-97-83.2000115.3
105S47.8Very low48.1Very low93 Ų93129.9 Ų129.965%0.6570%0.702SS**SBendtrans-105.15.5-168.3-47.10000116.4
106Y46.3Very low46.8Very low186 Ų186127 Ų12773%0.72971%0.708SS**  trans-153.1103.7171.356-84.3000111.8
107S39.9Very low45.6Very low127 Ų127124.3 Ų124.389%0.88871%0.711SS**  trans-152.677.3156.6-74.90000107.9
108V41.7Very low44Very low142 Ų142125.3 Ų125.386%0.86173%0.725SS**  trans-115.2115.8157.2167.40000107
109A40.7Very low43.1Very low94 Ų94124.6 Ų124.678%0.77773%0.725SS**  trans57.3115156.100000119.7
110S39.8Very low42Very low112 Ų112124.3 Ų124.378%0.78373%0.733SS**  trans-71.3159.2151.741.20000111
111P47.8Very low41.1Very low116 Ų116129.1 Ų129.175%0.75375%0.747SS**  -145.1151.289.233-13.4000116.8
112Q38.7Very low40.4Very low182 Ų182131 Ų13185%0.8576%0.758SS**  trans26.2137.4148.3-57.4-175.5-2500121.4
113T33.4Very low39.2Very low127 Ų127134.6 Ų134.678%0.77977%0.768SS**  168.1130109.8-55.80000113.6
114S36.5Very low38.2Very low106 Ų106135.4 Ų135.474%0.74178%0.777SS**  trans44.7137.8153.570.80000126
115L35.4Very low37.7Very low153 Ų153132.2 Ų132.280%0.80178%0.776SS**  trans-66.1168164.4-64.384.1000113.7
116P38.3Very low36.9Very low130 Ų130133.3 Ų133.384%0.84478%0.779SS**  -142.9162.18630.4-9.4000117.2
117T36.3Very low35.9Very low113 Ų113132.3 Ų132.369%0.69379%0.785SS**  trans-55149.1175.2-47.80000115.9
118T27.5Very low35.2Very low137 Ų137129.9 Ų129.984%0.8477%0.768SS**  trans-162.2131.7134.3-60.20000112.1
119T32Very low34.7Very low113 Ų113130.7 Ų130.769%0.69376%0.762SS**  trans-47.3152.6171.5-49.80000116.4
120I33.2Very low33.9Very low158 Ų158133.6 Ų133.681%0.8176%0.76SS**  173.6114.3129.5-82151.4000109.8
121Q34.5Very low33.1Very low178 Ų178132.5 Ų132.583%0.83275%0.752SS**  trans-88.3163.6151-77.4-165.2-18.400108.7
122P38.8Very low32Very low116 Ų116132.7 Ų132.775%0.75375%0.747SS**  -145.2171.5105.532.4-13.6000116.5
123H30.8Very low31.3Very low158 Ų158133.4 Ų133.473%0.73174%0.743SS**  trans-58166.9-166.777.2-23.1000120.8
124V36.1Very low31Very low114 Ų114135.1 Ų135.169%0.69175%0.746SS**  trans-64.9166.2159.7-103.90000113.9
125P36.8Very low30.5Very low122 Ų122136.1 Ų136.179%0.79275%0.747SS**  -137.7154.9111.223.3-3.6000116.4
126T29.3Very low30Very low116 Ų116137.3 Ų137.371%0.71275%0.749SS**  trans-90.7150.4-179.9-46.60000112.2
127L27.2Very low29.8Very low164 Ų164135.6 Ų135.686%0.85975%0.746SS**  trans-171.5109.7141.8-124.995.9000107.7
128S24.2Very low29.7Very low77 Ų77135.1 Ų135.154%0.53875%0.745SS.*  90114.283.270.30000115.1
129H30.8Very low29.6Very low159 Ų159133.5 Ų133.574%0.73674%0.739SS**  159106.5126.8-95.9-77.2000108.3
130Q24.3Very low30Very low155 Ų155134.6 Ų134.672%0.72475%0.745SS**  85.9116.973.9-157.6-171.51.500113.6
131S22.7Very low30Very low88 Ų88136.2 Ų136.262%0.61575%0.746SS**  trans63.9149.7147.8-90.60000118.9
132N24.4Very low29.9Very low121 Ų121138.6 Ų138.665%0.64775%0.748SS**  cis-154.5155.319.3-98-25.3000110
133Y24.8Very low29.8Very low196 Ų196138 Ų13877%0.76975%0.753SS**  trans-7.2144.5154.7-44.2-86.4000119.3
134I27.2Very low30Very low164 Ų164139.1 Ų139.184%0.84176%0.76SS**  -179.1131.3114-84.7151.2000110.7
135T25.1Very low29.8Very low126 Ų126141.1 Ų141.177%0.77376%0.762SS**  trans-25.2134.8159-45.30000117.8
136Q25Very low29.7Very low178 Ų178141.9 Ų141.983%0.83276%0.76SS**  trans-177.3114132.6-104.5174.526.300113.3
137A33.9Very low30.1Very low94 Ų94143.5 Ų143.578%0.77776%0.763SS**  -81.5144.8128.300000106.1
138P35.3Very low30.4Very low104 Ų104143 Ų14368%0.67576%0.757SS**  -144.1176.266.329.1-3.8000111.7
139S26Very low31.2Very low103 Ų103144.9 Ų144.972%0.7276%0.764SS**  176.4128.169.9-56.40000110.5
140V38.9Very low31.5Very low135 Ų135143 Ų14382%0.81876%0.764SS**  trans-49.1133.8151.5-179.20000109.5
141K34.2Very low32.3Very low193 Ų193140.5 Ų140.584%0.83976%0.759SS**  trans142.592.9145.8-78.8171.1-178.1-178.30112.4
142R31.9Very low32.9Very low228 Ų228143.9 Ų143.986%0.8676%0.762SS**SBendtrans-158.225.9130.7-120.6-177.1-146.7123.93.8114.8M144R142-M144 PolarHBondContact O-N 3.35Å
143A36Very low33.1Very low104 Ų104146.7 Ų146.786%0.8677%0.772SS**SBendtrans-85.813.3170.400000113.3
144M34.9Very low33.7Very low181 Ų181141.4 Ų141.489%0.89277%0.769SS**SBendtrans-139.766.2-178.5-62.2-172.287.700110.5R142R142-M144 PolarHBondContact O-N 3.35Å
145E33.6Very low34.2Very low155 Ų155139.7 Ų139.772%0.72477%0.766SS**SBendtrans-158.836.2162.8-150.8-178.1141.300113.1
146N33.1Very low35.1Very low139 Ų139137.9 Ų137.974%0.74376%0.764SS**SBendtrans-142.114.6165.1-84.7-63.8000113
147L38.9Very low35.7Very low150 Ų150137.1 Ų137.179%0.78577%0.765SS**SBendtrans-96.3-1.9175.3-14571.8000113.1
148E34Very low36.3Very low154 Ų154138.2 Ų138.272%0.7276%0.764SS**SBendtrans-102.4-5.5-179.7-100.5-171.2128.800115.2
149V39.3Very low36.3Very low116 Ų116142.4 Ų142.470%0.70377%0.772SS**SBendtrans-97.1-22.8179.8-1770000112.5
150V37.5Very low36.9Very low119 Ų119144.5 Ų144.572%0.72177%0.774SS**SBendtrans-87.9-19.6178.5179.70000112.6
151V40.8Very low36.8Very low103 Ų103143.9 Ų143.962%0.62478%0.775SS**G310 helixtrans-82.9-15.2-177.5178.50000113.1
152K35.2Very low37.1Very low158 Ų158140.5 Ų140.569%0.68778%0.776SS**G310 helixtrans-91.41.7-179.1-72.3-177178.1172.30115.6
153Q29.9Very low37.6Very low181 Ų181136.4 Ų136.485%0.84677%0.771SS**G310 helixtrans-117.231.7177.1-154.470.226.700113
154A38.1Very low37.8Very low85 Ų85139.5 Ų139.570%0.70277%0.772SS**  trans-132.211.417700000114.4
155T36.9Very low38.2Very low128 Ų128138.3 Ų138.379%0.78577%0.768SS**  trans-102.573175.655.20000111
156A43.9Very low38Very low88 Ų88140.9 Ų140.973%0.72778%0.777SS**  trans-161.455.9163.500000112.7
157L36.9Very low38.1Very low162 Ų162141.5 Ų141.585%0.84878%0.781SS**  trans-148.8114156.3-80-179.2000110.2F159L157-F159 PolarHBondContact O-N 3.22Å
158P46.2Very low37.8Very low116 Ų116140 Ų14075%0.75378%0.781SS**  trans-89.483.517834.7-29.7000109.8
159F36.6Very low38.5Very low193 Ų193141 Ų14185%0.84679%0.786SS**  trans-147.417.9174.6-98-73.6000116.2L157L157-F159 PolarHBondContact O-N 3.22Å
160L37.6Very low38.6Very low146 Ų146142.8 Ų142.876%0.76479%0.792SS**  trans-122.326.8-179.1-79169.1000114.8
161S37.7Very low38.9Very low122 Ų122144.5 Ų144.585%0.85380%0.796SS**SBendtrans-926.2174.3-160.50000114.7
162S39.6Very low38.7Very low122 Ų122147.2 Ų147.285%0.85381%0.807SS**SBendtrans-118.29.6-177.5-60.90000115.4
163L42.3Very low38.8Very low143 Ų143148.9 Ų148.975%0.74982%0.815SS**SBendtrans-108.76.2179.7-101.8119000115.4
164L40.4Very low39.1Very low169 Ų169145.7 Ų145.789%0.88581%0.811SS**SBendtrans-107.463.4174.7-80.4171.7000112
165L44.2Very low39.4Very low156 Ų156148 Ų14882%0.81782%0.816SS**  trans-163.164.6153.3-108.9159.9000110.2
166F29Very low39.8Very low208 Ų208147.1 Ų147.191%0.91282%0.815SS**  trans-14088155.2-112.1-88.6000107.4
167N35.3Very low39.5Very low152 Ų152151.2 Ų151.281%0.81382%0.824SS**  trans-79.2131.2153.8-78.4-64.7000106.7
168C32.5Very low39.6Very low118 Ų118149 Ų14980%0.79782%0.817SS**  -169.1124.3129.6-154.50000109.2
169E47.7Very low39.5Very low176 Ų176148.5 Ų148.582%0.82281%0.814SS**  trans-52.1159163.6-70.8152.590.700111.5
170D42.5Very low39.7Very low153 Ų153145.4 Ų145.482%0.81881%0.81SS**  trans10868.8180-65.7-48.2000115.9
171L43.5Very low39.6Very low155 Ų155146.7 Ų146.781%0.81282%0.817SS**  trans-127.136.4160.1-145.381.1000112.5
172D37.7Very low39.7Very low161 Ų161145.6 Ų145.686%0.86181%0.81SS**SBendtrans-95.85.8172.4-84-52.5000113.6
173F35.5Very low39.4Very low193 Ų193148.7 Ų148.785%0.84681%0.81SS**SBendtrans-103.3-4.3-176.4-143.1-97.5000116.4
174C36.8Very low38.8Very low114 Ų114149.8 Ų149.877%0.7782%0.816SS**THydrogen-bonded Turntrans-95.112-173.6-73.70000115.6
175V45.4Very low39Very low134 Ų134146.6 Ų146.681%0.81281%0.805SS**THydrogen-bonded Turntrans-99.32.4178.6175.20000113.9
176S44.6Very low38.7Very low108 Ų108147.3 Ų147.376%0.75580%0.804SS**SBendtrans-109.823.9-173.9-142.40000117.4
177L36.7Very low38.8Very low174 Ų174145.5 Ų145.591%0.91180%0.803SS**  trans-142.872.4164.1-140.974.1000112.1
178V40.4Very low38.5Very low115 Ų115144.8 Ų144.870%0.69780%0.798SS**  trans-59.5-154.2148.5-167.50000107.2
179P44.5Very low38.7Very low107 Ų107145.3 Ų145.370%0.69580%0.8SS**  -89.3123.7-118.335.1-14000116.7
180V39.2Very low38.1Very low128 Ų128141.6 Ų141.678%0.77679%0.794SS**SBendtrans-140.9-0.5162.7175.90000115.5
181L37Very low37.7Very low172 Ų172139.8 Ų139.890%0.90179%0.792SS**  trans-127.959176.9-83.2101.7000113.8
182S40Very low37.4Very low100 Ų100139.6 Ų139.670%0.69980%0.797SS**  trans-85.3105.5140.1410000107.7
183H32.8Very low37.5Very low187 Ų187139.8 Ų139.887%0.86680%0.797SS**  trans-174.1121.7138.3-98.773000107.8
184L28.9Very low37.3Very low165 Ų165138.8 Ų138.886%0.86479%0.793SS**  trans-44.2-179.7164.6-77.8152.1000112.9
185P44.7Very low37.5Very low102 Ų102138.7 Ų138.766%0.66279%0.791SS**  cis-134.1179.6-43.437.3-20.9000111.4
186Q37.7Very low37.4Very low171 Ų171138.9 Ų138.980%0.79979%0.787SS**  trans61.8129.5162.8-58.9-72.22900117.8
187I32.3Very low37.1Very low171 Ų171141.6 Ų141.688%0.87779%0.791SS**  trans179.1132.7137.9-86.3144.8000109.1
188D29Very low37.4Very low136 Ų136137.8 Ų137.873%0.72778%0.775SS**  trans-55153.9-176.5-78-74.8000117.6S190D188-S190 PolarHBondContact O-N 3.02Å; D188-S190 VanDerWaalsContact O-N 3.14Å
189P35.4Very low37Very low129 Ų129141.3 Ų141.384%0.83878%0.781SS**THydrogen-bonded Turntrans-8865.218037.3-35.2000112.6
190S35.6Very low37Very low99 Ų99141.2 Ų141.269%0.69278%0.781SS**THydrogen-bonded Turntrans-130.4-1.8177.8-46.90000115.6D188D188-S190 PolarHBondContact O-N 3.02Å; D188-S190 VanDerWaalsContact O-N 3.14Å
191C34.1Very low37.3Very low115 Ų115142 Ų14278%0.77779%0.786SS**  trans-131.265.7-166.8-65.30000113.5
192V36.5Very low37.9Very low151 Ų151143.9 Ų143.992%0.91578%0.782SS**  trans-157.584.7135.8-1280000109.8
193L39.8Very low38.3Very low164 Ų164147 Ų14786%0.85979%0.79SS**  trans-79130152.6-165.473.1000106.8
194F31.8Very low38.7Very low172 Ų172144.7 Ų144.775%0.75478%0.783SS**  trans-6144.5162.8-90.8-107.4000118.6L196F194-L196 HydrophobicContact CD1-CD1 4.32Å
195P41.9Very low39.3Very low113 Ų113140.6 Ų140.673%0.73477%0.766SS**  -129.5127.79533.8-23.6000111.5
196L41.7Very low39.6Very low138 Ų138141 Ų14172%0.72377%0.769SS**  40.786.3103.5-111.291000112.5F194F194-L196 HydrophobicContact CD1-CD1 4.32Å
197I39.2Very low40Very low164 Ų164137.7 Ų137.784%0.84176%0.76SS**  trans-116.2102.5153.3-62.9176.8000106.7
198T41.8Very low40.7Very low95 Ų95132.6 Ų132.658%0.58374%0.74SS**  trans-55.9147.6161.6-60.50000110.6
199F33.3Very low41.8Very low188 Ų188130.8 Ų130.883%0.82573%0.733SS**  trans106.7145.1169-72-79.7000116.6
200P45.3Very low42.4Very low105 Ų105132.1 Ų132.168%0.68273%0.726SS**  -121.3146.5-56.424.5-6.5000110.5Y202P200-Y202 VanDerWaalsContact C-N 3.31Å; P200-Y202 PolarHBondContact O-N 3.19Å
201V45.5Very low43.3Very low146 Ų146131.5 Ų131.589%0.88572%0.718SS**  trans-69.889.6164.8177.60000107.8
202Y48.6Very low43.8Very low211 Ų211129.7 Ų129.783%0.82771%0.706SS**  trans-146.3113.7159.9-116.8-89.8000109.9P200P200-Y202 VanDerWaalsContact C-N 3.31Å; P200-Y202 PolarHBondContact O-N 3.19Å
203L47.6Very low44.3Very low164 Ų164128.6 Ų128.686%0.85969%0.691SS**  trans73.869.3162.2-132.572.4000118.1
204I41.9Very low45Very low140 Ų140124.7 Ų124.772%0.71867%0.673SS**  trans-114.7122.3157.6-59.7172.9000107.6
205P41.8Very low46.1Very low78 Ų78122 Ų12251%0.50667%0.666SS.*  trans-67.7149.7-176.528.9-35000111.3V207 S208P205-V207 HydrophobicContact CB-CG2 3.98Å; P205-V207 HydrophobicContact CG-CG2 3.88Å; P205-V207 PolarHBondContact O-N 3.32Å; P205-S208 PolarHBondContact O-N 3.1Å
206P51.8Low46.6Very low112 Ų112120.4 Ų120.473%0.72766%0.655SS**THydrogen-bonded Turntrans-62.8-5.3-173.124.1-34000115.2
207V44.4Very low47.2Very low101 Ų101117.4 Ų117.461%0.61264%0.642SS**Hα-helixtrans-72.3-26.8177.6-74.80000113.9P205 T211P205-V207 HydrophobicContact CB-CG2 3.98Å; P205-V207 HydrophobicContact CG-CG2 3.88Å; P205-V207 PolarHBondContact O-N 3.32Å; V207-T211 PolarHBondContact O-N 3.47Å; V207-T211 PolarHBondContact O-OG1 3.41Å
208S48.3Very low48.2Very low64 Ų64113.2 Ų113.245%0.44862%0.624SS.*Hα-helixtrans-78.9-26.4-177-176.60000114P205 T211 C212P205-S208 PolarHBondContact O-N 3.1Å; S208-T211 PolarHBondContact O-OG1 2.98Å; S208-C212 PolarHBondContact O-N 3.36Å
209V51.6Low48.7Very low97 Ų97112.2 Ų112.259%0.58862%0.62SS**Hα-helixtrans-77.8-36.8178.8-176.20000109.7C212 Q213V209-C212 PolarHBondContact O-N 3.08Å; V209-Q213 WeakPolarHBondContact O-CB 3.39Å; V209-Q213 PolarHBondContact O-N 2.89Å
210F47.8Very low49.9Very low158 Ų158110.2 Ų110.269%0.69361%0.611SS**Hα-helixtrans-66.7-42.1177.7-116.1-91.4000112.5Q213 V214F210-Q213 PolarHBondContact O-N 2.99Å; F210-V214 WeakPolarHBondContact O-CB 3.23Å; F210-V214 WeakPolarHBondContact O-CG2 3.27Å; F210-V214 PolarHBondContact O-N 3.4Å
211T54.6Low50.2Low85 Ų85113.9 Ų113.952%0.52161%0.611SS.*Hα-helixtrans-68.3-37.2177.649.10000112.5V207 S208 V214 L215V207-T211 PolarHBondContact O-N 3.47Å; V207-T211 PolarHBondContact O-OG1 3.41Å; S208-T211 PolarHBondContact O-OG1 2.98Å; T211-V214 PolarHBondContact O-N 3.32Å; T211-L215 WeakPolarHBondContact O-CB 3.02Å; T211-L215 PolarHBondContact O-N 3.13Å
212C44.9Very low50.8Low78 Ų78109.2 Ų109.253%0.52759%0.589SS.*Hα-helixtrans-67.8-42176.1-127.20000112.1S208 V209 V214 L215 V216S208-C212 PolarHBondContact O-N 3.36Å; V209-C212 PolarHBondContact O-N 3.08Å; C212-V214 VanDerWaalsContact C-N 3.35Å; C212-V214 PolarHBondContact O-N 2.89Å; C212-L215 PolarHBondContact O-N 3.41Å; C212-V216 WeakPolarHBondContact O-CG2 3.29Å; C212-V216 PolarHBondContact O-N 3.26Å
213Q45.9Very low51Low128 Ų128106.1 Ų106.160%0.59858%0.579SS**Hα-helixtrans-63.4-41.8176.3-144.783-5.300111.2V209 F210 V216 V217V209-Q213 WeakPolarHBondContact O-CB 3.39Å; V209-Q213 PolarHBondContact O-N 2.89Å; F210-Q213 PolarHBondContact O-N 2.99Å; Q213-V216 PolarHBondContact O-N 3.42Å; Q213-V217 WeakPolarHBondContact O-CB 3.44Å; Q213-V217 WeakPolarHBondContact O-CG2 3.45Å; Q213-V217 PolarHBondContact O-N 3.15Å
214V55Low51.5Low81 Ų81100.5 Ų100.549%0.49156%0.557SS.*Hα-helixtrans-67.4-37.9177.7173.70000111.3F210 T211 C212 T218F210-V214 WeakPolarHBondContact O-CB 3.23Å; F210-V214 WeakPolarHBondContact O-CG2 3.27Å; F210-V214 PolarHBondContact O-N 3.4Å; T211-V214 PolarHBondContact O-N 3.32Å; C212-V214 VanDerWaalsContact C-N 3.35Å; C212-V214 PolarHBondContact O-N 2.89Å; V214-T218 HydrophobicContact CG1-CG2 4.07Å; V214-T218 VanDerWaalsContact O-CB 3.26Å; V214-T218 WeakPolarHBondContact O-CB 3.43Å; V214-T218 WeakPolarHBondContact O-CG2 3.25Å; V214-T218 PolarHBondContact O-N 3.05Å; V214-T218 PolarHBondContact O-OG1 2.94Å
215L55.3Low52.6Low115 Ų11597.4 Ų97.460%0.60254%0.544SS*.Hα-helixtrans-65.7-43.1174.5-94.3154.7000112.8T211 C212 T218 C219T211-L215 WeakPolarHBondContact O-CB 3.02Å; T211-L215 PolarHBondContact O-N 3.13Å; C212-L215 PolarHBondContact O-N 3.41Å; L215-T218 WeakPolarHBondContact CA-OG1 3.4Å; L215-T218 PolarHBondContact O-OG1 3.37Å; L215-T218 VanDerWaalsContact O-OG1 3.1Å; L215-C219 WeakPolarHBondContact O-CB 3.31Å; L215-C219 PolarHBondContact O-N 3.46Å
216V53.4Low53.6Low81 Ų8198.6 Ų98.649%0.49155%0.545SS..Hα-helixtrans-66.5-42.4177.1176.30000110.4C212 Q213 C219 F220C212-V216 WeakPolarHBondContact O-CG2 3.29Å; C212-V216 PolarHBondContact O-N 3.26Å; Q213-V216 PolarHBondContact O-N 3.42Å; V216-C219 PolarHBondContact O-N 3.15Å; V216-F220 HydrophobicContact CG1-CD2 3.92Å; V216-F220 HydrophobicContact CG1-CE2 4.21Å; V216-F220 WeakPolarHBondContact O-CB 3.3Å; V216-F220 WeakPolarHBondContact O-CD2 3.45Å; V216-F220 PolarHBondContact O-N 3.21Å
217V53.1Low53.8Low75 Ų7598.3 Ų98.346%0.45554%0.537SS..Hα-helixtrans-69-42.5178.9173.90000111.4Q213 F220 W221Q213-V217 WeakPolarHBondContact O-CB 3.44Å; Q213-V217 WeakPolarHBondContact O-CG2 3.45Å; Q213-V217 PolarHBondContact O-N 3.15Å; V217-F220 PolarHBondContact O-N 2.89Å; V217-W221 WeakPolarHBondContact O-CB 3.4Å; V217-W221 VanDerWaalsContact O-CD1 3.22Å; V217-W221 PolarHBondContact O-N 2.95Å
218T60.6Low54.3Low75 Ų7598.9 Ų98.946%0.4654%0.536SS..Hα-helixtrans-67.2-36.7176.251.90000112V214 L215 W221 A222V214-T218 HydrophobicContact CG1-CG2 4.07Å; V214-T218 VanDerWaalsContact O-CB 3.26Å; V214-T218 WeakPolarHBondContact O-CB 3.43Å; V214-T218 WeakPolarHBondContact O-CG2 3.25Å; V214-T218 PolarHBondContact O-N 3.05Å; V214-T218 PolarHBondContact O-OG1 2.94Å; L215-T218 WeakPolarHBondContact CA-OG1 3.4Å; L215-T218 PolarHBondContact O-OG1 3.37Å; L215-T218 VanDerWaalsContact O-OG1 3.1Å; T218-W221 PolarHBondContact O-N 3.17Å; T218-A222 VanDerWaalsContact O-CB 3.25Å; T218-A222 WeakPolarHBondContact O-CB 3.23Å; T218-A222 PolarHBondContact O-N 3.02Å
219C52.3Low54.4Low74 Ų74100.7 Ų100.750%0.554%0.54SS..Hα-helixtrans-71.3-37.2175.8-157.20000112L215 V216 A222 K223L215-C219 WeakPolarHBondContact O-CB 3.31Å; L215-C219 PolarHBondContact O-N 3.46Å; V216-C219 PolarHBondContact O-N 3.15Å; C219-A222 PolarHBondContact O-N 3.39Å; C219-K223 WeakPolarHBondContact O-CB 3.33Å; C219-K223 PolarHBondContact O-N 3.42Å
220F59.3Low54.2Low147 Ų147101.2 Ų101.265%0.64554%0.539SS*.Hα-helixtrans-66.9-41.2171.7-100.8-93.7000112.2V216 V217 K223 A224V216-F220 HydrophobicContact CG1-CD2 3.92Å; V216-F220 HydrophobicContact CG1-CE2 4.21Å; V216-F220 WeakPolarHBondContact O-CB 3.3Å; V216-F220 WeakPolarHBondContact O-CD2 3.45Å; V216-F220 PolarHBondContact O-N 3.21Å; V217-F220 PolarHBondContact O-N 2.89Å; F220-K223 PolarHBondContact O-N 3.29Å; F220-A224 VanDerWaalsContact O-CB 3.25Å; F220-A224 WeakPolarHBondContact O-CB 3.5Å; F220-A224 PolarHBondContact O-N 3.01Å
221W51Low54.5Low181 Ų18197.2 Ų97.269%0.68652%0.524SS*.Hα-helixtrans-65.5-41.1173.7-91.274.5000111.7V217 T218 A224 V225V217-W221 WeakPolarHBondContact O-CB 3.4Å; V217-W221 VanDerWaalsContact O-CD1 3.22Å; V217-W221 PolarHBondContact O-N 2.95Å; T218-W221 PolarHBondContact O-N 3.17Å; W221-A224 PolarHBondContact O-N 3.27Å; W221-V225 WeakPolarHBondContact O-CB 3.3Å; W221-V225 WeakPolarHBondContact O-CG2 3.31Å; W221-V225 PolarHBondContact O-N 3.35Å
222A57Low53.8Low49 Ų4996.4 Ų96.441%0.40552%0.522SS..Hα-helixtrans-63.6-44175.300000111.4T218 C219 V225 I226T218-A222 VanDerWaalsContact O-CB 3.25Å; T218-A222 WeakPolarHBondContact O-CB 3.23Å; T218-A222 PolarHBondContact O-N 3.02Å; C219-A222 PolarHBondContact O-N 3.39Å; A222-V225 PolarHBondContact O-N 3.06Å; A222-I226 WeakPolarHBondContact O-CB 3.47Å; A222-I226 WeakPolarHBondContact O-CD1 3.27Å; A222-I226 WeakPolarHBondContact O-CG1 3.38Å; A222-I226 PolarHBondContact O-N 3.33Å
223K53Low53.6Low146 Ų14697.6 Ų97.664%0.63552%0.521SS*.Hα-helixtrans-60.8-45.1172.2-90.5-177.6172.4-177.30111.7C219 F220 I226 L227C219-K223 WeakPolarHBondContact O-CB 3.33Å; C219-K223 PolarHBondContact O-N 3.42Å; F220-K223 PolarHBondContact O-N 3.29Å; K223-I226 PolarHBondContact O-N 3.04Å; K223-L227 VanDerWaalsContact O-CB 3.3Å; K223-L227 WeakPolarHBondContact O-CB 3.19Å; K223-L227 PolarHBondContact O-N 3.27Å
224A58Low53.4Low46 Ų4696.7 Ų96.738%0.3853%0.528SS..Hα-helixtrans-66.1-39.8179.600000112.4F220 W221 L227 L228F220-A224 VanDerWaalsContact O-CB 3.25Å; F220-A224 WeakPolarHBondContact O-CB 3.5Å; F220-A224 PolarHBondContact O-N 3.01Å; W221-A224 PolarHBondContact O-N 3.27Å; A224-L227 PolarHBondContact O-N 3.27Å; A224-L228 VanDerWaalsContact O-CB 3.3Å; A224-L228 WeakPolarHBondContact O-CB 3.49Å; A224-L228 WeakPolarHBondContact O-CG 3.33Å; A224-L228 PolarHBondContact O-N 2.94Å
225V65.1Low52.7Low74 Ų7499.8 Ų99.845%0.44854%0.537SS..Hα-helixtrans-66.9-41.2176.1169.40000110.9W221 A222 L227 L228 N229W221-V225 WeakPolarHBondContact O-CB 3.3Å; W221-V225 WeakPolarHBondContact O-CG2 3.31Å; W221-V225 PolarHBondContact O-N 3.35Å; A222-V225 PolarHBondContact O-N 3.06Å; V225-L227 VanDerWaalsContact C-N 3.34Å; V225-L228 PolarHBondContact O-N 3.3Å; V225-N229 WeakPolarHBondContact O-CB 3.41Å; V225-N229 PolarHBondContact O-N 3.42Å
226I63.2Low51.9Low104 Ų104104.1 Ų104.153%0.53355%0.545SS..Hα-helixtrans-65.7-39.9174.4-68.8165.4000110.4A222 K223 N229 L230A222-I226 WeakPolarHBondContact O-CB 3.47Å; A222-I226 WeakPolarHBondContact O-CD1 3.27Å; A222-I226 WeakPolarHBondContact O-CG1 3.38Å; A222-I226 PolarHBondContact O-N 3.33Å; K223-I226 PolarHBondContact O-N 3.04Å; I226-N229 PolarHBondContact O-N 3.45Å; I226-L230 HydrophobicContact CG2-CD1 3.84Å; I226-L230 WeakPolarHBondContact O-CB 3.3Å; I226-L230 WeakPolarHBondContact O-CD1 3.45Å; I226-L230 VanDerWaalsContact O-CG 3.31Å; I226-L230 WeakPolarHBondContact O-CG 3.47Å; I226-L230 PolarHBondContact O-N 3.47Å
227L55.9Low51.4Low105 Ų105104.9 Ų104.955%0.5555%0.552SS.*Hα-helixtrans-67.3-40.1176.7-138.3108.9000111.8K223 A224 V225 L230 I231K223-L227 VanDerWaalsContact O-CB 3.3Å; K223-L227 WeakPolarHBondContact O-CB 3.19Å; K223-L227 PolarHBondContact O-N 3.27Å; A224-L227 PolarHBondContact O-N 3.27Å; V225-L227 VanDerWaalsContact C-N 3.34Å; L227-L230 CarbonylContact O-C 3.57Å; L227-L230 PolarHBondContact O-N 3.12Å; L227-I231 HydrophobicContact CD2-CD1 3.77Å; L227-I231 HydrophobicContact CG-CD1 4.44Å; L227-I231 WeakPolarHBondContact O-CB 3.07Å; L227-I231 WeakPolarHBondContact O-CG1 3.47Å; L227-I231 PolarHBondContact O-N 3.27Å
228L54.4Low50.8Low113 Ų113106.8 Ų106.859%0.59257%0.566SS**Hα-helixtrans-68.1-35.1175-74.5168.8000111.5A224 V225 S232A224-L228 VanDerWaalsContact O-CB 3.3Å; A224-L228 WeakPolarHBondContact O-CB 3.49Å; A224-L228 WeakPolarHBondContact O-CG 3.33Å; A224-L228 PolarHBondContact O-N 2.94Å; V225-L228 PolarHBondContact O-N 3.3Å; L228-S232 WeakPolarHBondContact O-CB 3.5Å; L228-S232 PolarHBondContact O-N 2.88Å
229N51.3Low49.8Very low102 Ų102109.2 Ų109.255%0.54558%0.581SS.*Hα-helixtrans-68.3-38.2171.4-121.8-40.9000111.4V225 I226 M233V225-N229 WeakPolarHBondContact O-CB 3.41Å; V225-N229 PolarHBondContact O-N 3.42Å; I226-N229 PolarHBondContact O-N 3.45Å; N229-M233 WeakPolarHBondContact O-CB 3.48Å; N229-M233 WeakPolarHBondContact O-CG 3.4Å; N229-M233 PolarHBondContact O-N 3.27Å
230L47.5Very low48.9Very low109 Ų109116 Ų11657%0.57160%0.601SS**Hα-helixtrans-69.5-38.6174.8-78161.6000112.3I226 L227 M233 C234I226-L230 HydrophobicContact CG2-CD1 3.84Å; I226-L230 WeakPolarHBondContact O-CB 3.3Å; I226-L230 WeakPolarHBondContact O-CD1 3.45Å; I226-L230 VanDerWaalsContact O-CG 3.31Å; I226-L230 WeakPolarHBondContact O-CG 3.47Å; I226-L230 PolarHBondContact O-N 3.47Å; L227-L230 CarbonylContact O-C 3.57Å; L227-L230 PolarHBondContact O-N 3.12Å; L230-M233 CarbonylContact O-C 3.53Å; L230-M233 WeakPolarHBondContact O-CB 3.41Å; L230-M233 PolarHBondContact O-N 3.16Å; L230-C234 WeakPolarHBondContact O-CB 3.3Å; L230-C234 PolarHBondContact O-N 3.38Å
231I53.9Low48.1Very low74 Ų74113.7 Ų113.738%0.37960%0.6SS.*Hα-helixtrans-69.8-41.1174.3-70.9164.6000110.1L227 M233 C234 E235L227-I231 HydrophobicContact CD2-CD1 3.77Å; L227-I231 HydrophobicContact CG-CD1 4.44Å; L227-I231 WeakPolarHBondContact O-CB 3.07Å; L227-I231 WeakPolarHBondContact O-CG1 3.47Å; L227-I231 PolarHBondContact O-N 3.27Å; I231-M233 PolarHBondContact O-N 3.11Å; I231-C234 CarbonylContact O-C 3.52Å; I231-C234 PolarHBondContact O-N 3.08Å; I231-E235 WeakPolarHBondContact O-CB 3.46Å; I231-E235 PolarHBondContact O-N 3.03Å
232S40.5Very low47.5Very low67 Ų67112.7 Ų112.747%0.46961%0.607SS.*Hα-helixtrans-64.8-19.5172.1-175.20000113.2L228L228-S232 WeakPolarHBondContact O-CB 3.5Å; L228-S232 PolarHBondContact O-N 2.88Å
233M41Very low46.4Very low103 Ų103119.9 Ų119.951%0.50763%0.625SS.*Hα-helixtrans-88.8-23.1169.1-69.7-72.998.300113N229 L230 I231N229-M233 WeakPolarHBondContact O-CB 3.48Å; N229-M233 WeakPolarHBondContact O-CG 3.4Å; N229-M233 PolarHBondContact O-N 3.27Å; L230-M233 CarbonylContact O-C 3.53Å; L230-M233 WeakPolarHBondContact O-CB 3.41Å; L230-M233 PolarHBondContact O-N 3.16Å; I231-M233 PolarHBondContact O-N 3.11Å
234C40Very low45.5Very low110 Ų110117.8 Ų117.874%0.74363%0.625SS**Hα-helixtrans-89.2-24.3180-1570000112.6L230 I231 R236L230-C234 WeakPolarHBondContact O-CB 3.3Å; L230-C234 PolarHBondContact O-N 3.38Å; I231-C234 CarbonylContact O-C 3.52Å; I231-C234 PolarHBondContact O-N 3.08Å; C234-R236 PolarHBondContact O-N 3.24Å
235E40.4Very low44.5Very low145 Ų145123 Ų12368%0.67864%0.643SS**  trans-102.938.2-173.6-156149-163.200114.3I231 P237I231-E235 WeakPolarHBondContact O-CB 3.46Å; I231-E235 PolarHBondContact O-N 3.03Å; E235-P237 VanDerWaalsContact O-CD 3.3Å; E235-P237 WeakPolarHBondContact O-CD 3.45Å
236R40.1Very low42.8Very low207 Ų207130 Ų13078%0.78166%0.661SS**  trans-107.183.1152.2-66.6-169.1-155.9-174.45.4109.2C234C234-R236 PolarHBondContact O-N 3.24Å
237P41.2Very low41.2Very low97 Ų97135.2 Ų135.263%0.6368%0.676SS**  trans-58.3149.1159.125.9-31.6000109.5E235 T239E235-P237 VanDerWaalsContact O-CD 3.3Å; E235-P237 WeakPolarHBondContact O-CD 3.45Å; P237-T239 PolarHBondContact O-N 3.4Å
238P41Very low39.8Very low114 Ų114136.7 Ų136.774%0.7468%0.684SS**  trans-60139.2-173.726.5-34.2000109.6K240P238-K240 PolarHBondContact O-N 3.03Å
239T39Very low39.2Very low127 Ų127141.5 Ų141.578%0.77969%0.694SS**  trans-47114163.935.90000108.3P237 V241P237-T239 PolarHBondContact O-N 3.4Å; T239-V241 PolarHBondContact O-N 2.94Å
240K33.6Very low38.1Very low215 Ų215145.8 Ų145.894%0.93571%0.711SS**  trans-61.985.6166.8-69.6177.3178.9176.30107.5P238P238-K240 PolarHBondContact O-N 3.03Å
241V43.2Very low37.5Very low100 Ų100148.8 Ų148.861%0.60672%0.722SS**  trans-90.3105.7161.5-178.20000105.4T239 Y243T239-V241 PolarHBondContact O-N 2.94Å; V241-Y243 VanDerWaalsContact C-N 3.28Å; V241-Y243 HydrophobicContact CG1-CD2 4.06Å; V241-Y243 HydrophobicContact CG1-CE2 4.22Å; V241-Y243 PolarHBondContact O-N 3.11Å
242L37.5Very low36.4Very low160 Ų160151 Ų15184%0.83874%0.744SS**  trans-60.687.5177.7-154.8134.9000108.4T244L242-T244 VanDerWaalsContact C-N 3.26Å; L242-T244 PolarHBondContact O-N 3.13Å
243Y35.3Very low35.9Very low200 Ų200151.7 Ų151.778%0.78475%0.754SS**  trans-77.784.6175.6-110.9-88.3000108.3V241 M245V241-Y243 VanDerWaalsContact C-N 3.28Å; V241-Y243 HydrophobicContact CG1-CD2 4.06Å; V241-Y243 HydrophobicContact CG1-CE2 4.22Å; V241-Y243 PolarHBondContact O-N 3.11Å; Y243-M245 PolarHBondContact O-N 3.07Å
244T32.7Very low35.8Very low102 Ų102153.8 Ų153.863%0.62677%0.767SS**  trans-54.7125.3159176.70000108.4L242 R246L242-T244 VanDerWaalsContact C-N 3.26Å; L242-T244 PolarHBondContact O-N 3.13Å; T244-R246 PolarHBondContact O-N 3.23Å
245M38.6Very low35.3Very low156 Ų156155.8 Ų155.877%0.76877%0.77SS**  trans-57.4107.7177-71.1-84.3-114.600109.7Y243 Y247Y243-M245 PolarHBondContact O-N 3.07Å; M245-Y247 HydrophobicContact SD-CD2 4.33Å; M245-Y247 HydrophobicContact SD-CE2 4.35Å
246R29.4Very low35.1Very low219 Ų219156.9 Ų156.983%0.82678%0.78SS**  trans-122.581.6159.5-78.9-86-174.5105.5-0.1107.1T244 D248T244-R246 PolarHBondContact O-N 3.23Å; R246-D248 VanDerWaalsContact C-N 3.3Å; R246-D248 PolarHBondContact O-N 3.1Å; R246-D248 VanDerWaalsContact O-N 3.1Å
247Y29.4Very low34.7Very low215 Ų215151.1 Ų151.184%0.84377%0.771SS**  trans-67.794.5158.6-99.5-92.2000106.9M245M245-Y247 HydrophobicContact SD-CD2 4.33Å; M245-Y247 HydrophobicContact SD-CE2 4.35Å
248D25.3Very low34.4Very low136 Ų136151.6 Ų151.673%0.72777%0.773SS**  trans-123.595.3161-106.2-55.9000110R246 Q250R246-D248 VanDerWaalsContact C-N 3.3Å; R246-D248 PolarHBondContact O-N 3.1Å; R246-D248 VanDerWaalsContact O-N 3.1Å; D248-Q250 PolarHBondContact O-N 3.45Å
249R42.2Very low34.3Very low214 Ų214153.3 Ų153.381%0.80878%0.776SS**  trans-10.6111.7142.1-176.8-179.7-174145.51.3114.7
250Q28.4Very low34.1Very low191 Ų191150.9 Ų150.989%0.89378%0.776SS**  trans-156.6113.4138.1-118.1151.6-28.800111.4D248D248-Q250 PolarHBondContact O-N 3.45Å
251E35.2Very low35Very low172 Ų172148.6 Ų148.680%0.80477%0.772SS**  trans-59140.2163.1-67.2175106.700109.9
252S29.8Very low34.9Very low120 Ų120151 Ų15184%0.83978%0.781SS**  trans-157.7104.5146.8-78.30000108.5
253A31.3Very low35.4Very low83 Ų83148.1 Ų148.169%0.68677%0.774SS**  trans-57.6154.5156.700000108.7
254L37.7Very low36Very low147 Ų147145.9 Ų145.977%0.7777%0.774SS**  -172.5142.859.1-75.7162.4000110
255N30.9Very low36.8Very low151 Ų151147 Ų14781%0.80778%0.777SS**  trans61.5128.5134.3-57.1-30.8000124.5
256L34.2Very low37.7Very low168 Ų168145.9 Ų145.988%0.8877%0.771SS**  trans-69.2142.4162.1179.569.4000111.7
257S31.8Very low38.9Very low87 Ų87139 Ų13961%0.60876%0.757SS**  162.1132.6117.9-165.20000115.8
258T36.7Very low40.9Very low107 Ų107133.6 Ų133.666%0.65674%0.741SS**  trans66.5119.4139.7470000124.3
259N37.9Very low42.8Very low150 Ų150133.4 Ų133.480%0.80274%0.736SS**  trans69126.6131.1-61.3-25.6000121
260G35Very low43.8Very low76 Ų76128 Ų12878%0.78472%0.722SS**  trans97.9108.8148.500000114.6N262G260-N262 PolarHBondContact O-N 3.24Å
261I52.5Low44.7Very low167 Ų167126.9 Ų126.986%0.85672%0.722SS**  trans-64.9117.1163.4-57.8163000106.5
262N41.2Very low46.2Very low149 Ų149121.3 Ų121.380%0.79771%0.711SS**  trans-163.1109.9149.9-86.5-18.5000107.3G260G260-N262 PolarHBondContact O-N 3.24Å
263S47.3Very low47.5Very low100 Ų100119.3 Ų119.370%0.69969%0.694SS**  trans20110.1164.156.50000118.5N265S263-N265 PolarHBondContact O-N 3.21Å
264I48Very low49.5Very low153 Ų153119.1 Ų119.179%0.78568%0.684SS**  trans-75.9101.2166.7-57.8168.3000107.8M266I264-M266 PolarHBondContact O-N 3.41Å
265N50.7Low50.6Low125 Ų125119 Ų11967%0.66867%0.674SS**  trans-75.8113.8162.7-79.2-19.9000107.9S263S263-N265 PolarHBondContact O-N 3.21Å
266M55.9Low52.6Low133 Ų133116.7 Ų116.766%0.65567%0.666SS**EExtended strand (participates in β ladder)trans-96.7118.2173.7-160.3112.176.700108.5I264 G277I264-M266 PolarHBondContact O-N 3.41Å; M266-G277 PolarHBondContact O-N 2.9Å
267S55.4Low54.1Low75 Ų75110.7 Ų110.752%0.52464%0.644SS.*EExtended strand (participates in β ladder)trans-113.1125.6174.365.80000110.8Y275S267-Y275 CarbonylContact C-O 3.57Å; S267-Y275 WeakPolarHBondContact CA-O 3.48Å
268I71.4Confident55Low101 Ų101119.5 Ų119.552%0.51867%0.672SS.*EExtended strand (participates in β ladder)trans-109.4128.9174.2-88.1170.5000108.7I270 Y275I268-I270 HydrophobicContact CG2-CD1 3.81Å; I268-I270 HydrophobicContact CG2-CG1 3.73Å; I268-Y275 PolarHBondContact N-O 3.22Å; I268-Y275 PolarHBondContact O-N 3.26Å
269E64.2Low56Low132 Ų132120.1 Ų120.162%0.61767%0.672SS**EExtended strand (participates in β ladder)trans-104.7121.5174.9-165.5177.5173.800109.9G272 V273 V274E269-G272 WeakPolarHBondContact OE1-CA 3.34Å; E269-V273 WeakPolarHBondContact CA-O 3.2Å; E269-V274 HydrophobicContact CB-CG2 4.15Å; E269-V274 HydrophobicContact CG-CG2 3.84Å
270I63.5Low56.9Low101 Ų101118.5 Ų118.552%0.51867%0.666SS.*EExtended strand (participates in β ladder)trans-127.5124.5174.5-59.4171.3000107.2I268 G272 V273I268-I270 HydrophobicContact CG2-CD1 3.81Å; I268-I270 HydrophobicContact CG2-CG1 3.73Å; I270-G272 VanDerWaalsContact C-N 3.27Å; I270-G272 PolarHBondContact O-N 2.99Å; I270-V273 PolarHBondContact N-O 2.8Å; I270-V273 VanDerWaalsContact N-O 3.09Å; I270-V273 PolarHBondContact O-N 3.09Å
271N47.9Very low58.1Low167 Ų167120.9 Ų120.989%0.89366%0.659SS**THydrogen-bonded Turntrans53.637.9179.8-58.7-19000114.2
272G66.6Low58.4Low56 Ų56118.2 Ų118.258%0.57765%0.647SS**THydrogen-bonded Turntrans83.38176.700000115.3E269 I270E269-G272 WeakPolarHBondContact OE1-CA 3.34Å; I270-G272 VanDerWaalsContact C-N 3.27Å; I270-G272 PolarHBondContact O-N 2.99Å
273V57.4Low59.5Low77 Ų77116.3 Ų116.347%0.46764%0.638SS.*EExtended strand (participates in β ladder)trans-117.3125.7177.8-176.60000109.8E269 I270 Y275E269-V273 WeakPolarHBondContact CA-O 3.2Å; I270-V273 PolarHBondContact N-O 2.8Å; I270-V273 VanDerWaalsContact N-O 3.09Å; I270-V273 PolarHBondContact O-N 3.09Å; V273-Y275 HydrophobicContact CB-CE2 4.13Å; V273-Y275 HydrophobicContact CG1-CE2 3.94Å; V273-Y275 WeakPolarHBondContact O-CD2 3.38Å
274V72.8Confident60.3Low79 Ų79117.3 Ų117.348%0.47963%0.634SS.*EExtended strand (participates in β ladder)trans-93.6122.4-176.7-177.40000110.8E269 T276E269-V274 HydrophobicContact CB-CG2 4.15Å; E269-V274 HydrophobicContact CG-CG2 3.84Å; V274-T276 HydrophobicContact CG1-CG2 4.4Å
275Y60.1Low61.2Low144 Ų144114.8 Ų114.857%0.56562%0.623SS**EExtended strand (participates in β ladder)trans-107120.8176.5-64.6-90000110.3S267 I268 V273S267-Y275 CarbonylContact C-O 3.57Å; S267-Y275 WeakPolarHBondContact CA-O 3.48Å; I268-Y275 PolarHBondContact N-O 3.22Å; I268-Y275 PolarHBondContact O-N 3.26Å; V273-Y275 HydrophobicContact CB-CE2 4.13Å; V273-Y275 HydrophobicContact CG1-CE2 3.94Å; V273-Y275 WeakPolarHBondContact O-CD2 3.38Å
276T74.4Confident62Low104 Ų104114 Ų11464%0.63862%0.62SS**EExtended strand (participates in β ladder)trans-104.1128.2178.657.70000111.4V274V274-T276 HydrophobicContact CG1-CG2 4.4Å
277G65.9Low62.5Low41 Ų41112.4 Ų112.442%0.42362%0.617SS.*EExtended strand (participates in β ladder)trans-89.7126.4172.300000111.2M266M266-G277 PolarHBondContact O-N 2.9Å
278K50.8Low63.2Low272 Ų272115.8 Ų115.8100%1.18363%0.625SS**  trans-90.40164-81.1-175.9177.6166.70110.4

Retrieved 278 of 278 residues in 64.4 ms (Link to these results)

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