A0A096MUN2_PAPAN Loading...

F-BAR and double SH3 domains protein 1

Promotes actin polymerization mediated by SNX9 and WASL.

AlphaFold DB , UniProt , Accession A0A096MUN2, Species PAPAN (Papio anubis, Olive baboon), Gene FCHSD1, Length 690 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M38.8Very low57.9Low238 Ų238136.2 Ų136.2100%1.17269%0.693SS**  095.10-70.9-75.4-111.500108.2
2Q34.9Very low60.5Low186 Ų186134.9 Ų134.987%0.86968%0.682SS**PPolyproline II helixtrans-64.3137.5168.9-86.2178-6.100108.3
3P41.4Very low62.7Low112 Ų112132.5 Ų132.573%0.72767%0.667SS**PPolyproline II helixtrans-59.8141.9171.626.3-31.8000108.7
4P42.3Very low64.7Low113 Ų113124.7 Ų124.773%0.73463%0.63SS**PPolyproline II helixtrans-55.5141.717922.6-32000109.8R6P4-R6 PolarHBondContact O-N 3.09Å
5P45.9Very low66.6Low121 Ų121124 Ų12479%0.78662%0.621SS**PPolyproline II helixtrans-53.9128.9-176.921.4-31.7000109.1K7P5-K7 PolarHBondContact O-N 3.22Å
6R53.6Low68.3Low244 Ų244122.4 Ų122.492%0.92161%0.614SS**  trans-56.7107.4178.4-75.8-178.9175.1-178-0.5107.7P4 V8P4-R6 PolarHBondContact O-N 3.09Å; R6-V8 PolarHBondContact O-N 3.38Å
7K63Low69.8Low203 Ų203124.1 Ų124.188%0.88361%0.611SS**  trans-55.2113174-67.8-175.5179.2-176.50107.8P5P5-K7 PolarHBondContact O-N 3.22Å
8V67.6Low71.2Confident72 Ų72117.7 Ų117.744%0.43658%0.58SS.*  trans-61.9141.5179.9-176.40000107.7R6 Q12 E13R6-V8 PolarHBondContact O-N 3.38Å; V8-Q12 HydrophobicContact CG1-CB 3.88Å; V8-Q12 HydrophobicContact CG1-CG 3.98Å; V8-E13 HydrophobicContact CB-CG 4.01Å; V8-E13 HydrophobicContact CG1-CG 3.7Å
9K81.5Confident72.4Confident137 Ų137116.6 Ų116.660%0.59658%0.576SS**  trans-68.2135178.7-67.4173-176.3165.50107.6A11 Q12 E13K9-A11 PolarHBondContact O-N 3.16Å; K9-A11 VanDerWaalsContact O-N 3.11Å; K9-Q12 HydrophobicContact CB-CB 4.33Å; K9-Q12 WeakPolarHBondContact O-CA 3.42Å; K9-Q12 VanDerWaalsContact O-CB 3.29Å; K9-Q12 WeakPolarHBondContact O-CB 3.22Å; K9-Q12 PolarHBondContact O-N 3.17Å; K9-E13 PolarHBondContact O-N 3.04Å
10P80.7Confident73.5Confident54 Ų54115.3 Ų115.335%0.35157%0.568SS.*Hα-helixtrans-52.2-38.2179.7-30.235.5000113.9Q12 E13 V14 V141P10-Q12 PolarHBondContact O-N 2.91Å; P10-E13 PolarHBondContact O-N 3.1Å; P10-V14 WeakPolarHBondContact O-CG2 3.16Å; P10-V14 PolarHBondContact O-N 2.64Å; P10-V141 HydrophobicContact CB-CG1 4.49Å
11A87Confident74.5Confident18 Ų18112 Ų11215%0.14955%0.552CS.*Hα-helixtrans-61.6-29.6174.500000113.9K9 K15 L138 V141K9-A11 PolarHBondContact O-N 3.16Å; K9-A11 VanDerWaalsContact O-N 3.11Å; A11-K15 VanDerWaalsContact O-CB 3.3Å; A11-K15 WeakPolarHBondContact O-CB 3.23Å; A11-K15 PolarHBondContact O-N 3.24Å; A11-K15 VanDerWaalsContact O-N 3.1Å; A11-L138 HydrophobicContact CB-CD1 4.39Å; A11-L138 WeakPolarHBondContact O-CD1 3.16Å; A11-V141 HydrophobicContact CB-CG1 3.9Å
12Q89.3Confident77Confident121 Ų121102.2 Ų102.257%0.56550%0.504SS*.Hα-helixtrans-79.7-34.1178.3-173.6168-1.300111.5V8 K9 P10 L16V8-Q12 HydrophobicContact CG1-CB 3.88Å; V8-Q12 HydrophobicContact CG1-CG 3.98Å; K9-Q12 HydrophobicContact CB-CB 4.33Å; K9-Q12 WeakPolarHBondContact O-CA 3.42Å; K9-Q12 VanDerWaalsContact O-CB 3.29Å; K9-Q12 WeakPolarHBondContact O-CB 3.22Å; K9-Q12 PolarHBondContact O-N 3.17Å; P10-Q12 PolarHBondContact O-N 2.91Å; Q12-L16 PolarHBondContact O-N 3.21Å
13E88.7Confident79.8Confident103 Ų10396.3 Ų96.348%0.48148%0.483SS..Hα-helixtrans-64.5-48.2172.1-64.1174.3174.800110.8V8 K9 P10 K15 L16 R17V8-E13 HydrophobicContact CB-CG 4.01Å; V8-E13 HydrophobicContact CG1-CG 3.7Å; K9-E13 PolarHBondContact O-N 3.04Å; P10-E13 PolarHBondContact O-N 3.1Å; E13-K15 VanDerWaalsContact C-N 3.34Å; E13-K15 PolarHBondContact O-N 3.39Å; E13-L16 WeakPolarHBondContact O-CB 3.3Å; E13-L16 PolarHBondContact O-N 3.29Å; E13-L16 VanDerWaalsContact O-N 3.15Å; E13-R17 WeakPolarHBondContact O-CG 3.5Å; E13-R17 PolarHBondContact O-N 2.89Å
14V91.7Very high82.2Confident24 Ų2496.8 Ų96.815%0.14548%0.478CS..Hα-helixtrans-59.9-44.5176.2173.40000111.1P10 L16 R17 F18 L138 V141P10-V14 WeakPolarHBondContact O-CG2 3.16Å; P10-V14 PolarHBondContact O-N 2.64Å; V14-L16 VanDerWaalsContact C-N 3.31Å; V14-L16 PolarHBondContact O-N 2.97Å; V14-R17 PolarHBondContact O-N 2.89Å; V14-F18 HydrophobicContact CG1-CD2 3.98Å; V14-F18 HydrophobicContact CG1-CE1 4.04Å; V14-F18 HydrophobicContact CG1-CE2 3.41Å; V14-F18 VanDerWaalsContact CG1-CE2 3.41Å; V14-F18 HydrophobicContact CG1-CZ 3.45Å; V14-F18 VanDerWaalsContact CG1-CZ 3.45Å; V14-F18 WeakPolarHBondContact O-CG 3.48Å; V14-F18 PolarHBondContact O-N 2.98Å; V14-L138 HydrophobicContact CG1-CD1 4.41Å; V14-V141 HydrophobicContact CG2-CG1 4.48Å; V14-V141 HydrophobicContact CG2-CG2 4.35Å
15K92.8Very high84.4Confident114 Ų11492.4 Ų92.450%0.49645%0.448SS..Hα-helixtrans-59.5-40.6175.7-174.4-179.4179-175.30112.3A11 E13 F18 L19 L138A11-K15 VanDerWaalsContact O-CB 3.3Å; A11-K15 WeakPolarHBondContact O-CB 3.23Å; A11-K15 PolarHBondContact O-N 3.24Å; A11-K15 VanDerWaalsContact O-N 3.1Å; E13-K15 VanDerWaalsContact C-N 3.34Å; E13-K15 PolarHBondContact O-N 3.39Å; K15-F18 PolarHBondContact O-N 2.84Å; K15-L19 WeakPolarHBondContact O-CG 3.15Å; K15-L19 PolarHBondContact O-N 2.93Å; K15-L19 VanDerWaalsContact O-N 3.1Å; K15-L138 HydrophobicContact CB-CD1 4.33Å
16L94.1Very high86.4Confident98 Ų9893 Ų9351%0.51344%0.441SS..Hα-helixtrans-62.5-45.8177.6-166.289.2000110.9Q12 E13 V14 F18 L19 E20Q12-L16 PolarHBondContact O-N 3.21Å; E13-L16 WeakPolarHBondContact O-CB 3.3Å; E13-L16 PolarHBondContact O-N 3.29Å; E13-L16 VanDerWaalsContact O-N 3.15Å; V14-L16 VanDerWaalsContact C-N 3.31Å; V14-L16 PolarHBondContact O-N 2.97Å; L16-F18 VanDerWaalsContact C-N 3.32Å; L16-F18 PolarHBondContact O-N 2.91Å; L16-L19 WeakPolarHBondContact O-CB 3.4Å; L16-L19 PolarHBondContact O-N 2.75Å; L16-L19 VanDerWaalsContact O-N 3.17Å; L16-E20 WeakPolarHBondContact O-CG 3.38Å; L16-E20 PolarHBondContact O-N 3.28Å
17R92.8Very high88.2Confident151 Ų15184.5 Ų84.557%0.5742%0.416SS*.Hα-helixtrans-61.1-39.5177.5-64.8-57.1-170.7121.31.9112.6E13 V14 E20 Q21E13-R17 WeakPolarHBondContact O-CG 3.5Å; E13-R17 PolarHBondContact O-N 2.89Å; V14-R17 PolarHBondContact O-N 2.89Å; R17-E20 WeakPolarHBondContact CD-OE2 3.29Å; R17-E20 PolarHBondContact O-N 3.41Å; R17-Q21 VanDerWaalsContact O-CG 3.31Å; R17-Q21 WeakPolarHBondContact O-CG 3.45Å; R17-Q21 PolarHBondContact O-N 3.02Å
18F95.5Very high89.3Confident9 Ų980.3 Ų80.34%0.03940%0.395CS..Hα-helixtrans-66.1-37.3176.2-66.9-13.7000112.5V14 K15 L16 Q21 L22 Q134 V137 L138 Y225V14-F18 HydrophobicContact CG1-CD2 3.98Å; V14-F18 HydrophobicContact CG1-CE1 4.04Å; V14-F18 HydrophobicContact CG1-CE2 3.41Å; V14-F18 VanDerWaalsContact CG1-CE2 3.41Å; V14-F18 HydrophobicContact CG1-CZ 3.45Å; V14-F18 VanDerWaalsContact CG1-CZ 3.45Å; V14-F18 WeakPolarHBondContact O-CG 3.48Å; V14-F18 PolarHBondContact O-N 2.98Å; K15-F18 PolarHBondContact O-N 2.84Å; L16-F18 VanDerWaalsContact C-N 3.32Å; L16-F18 PolarHBondContact O-N 2.91Å; F18-Q21 PolarHBondContact O-N 2.93Å; F18-L22 WeakPolarHBondContact O-CG 3.21Å; F18-L22 PolarHBondContact O-N 2.57Å; F18-Q134 HydrophobicContact CB-CG 4.27Å; F18-Q134 HydrophobicContact CD1-CG 3.98Å; F18-Q134 HydrophobicContact CD2-CB 3.66Å; F18-Q134 HydrophobicContact CD2-CG 3.89Å; F18-Q134 HydrophobicContact CE1-CG 4.24Å; F18-Q134 HydrophobicContact CE2-CB 3.88Å; F18-Q134 HydrophobicContact CE2-CG 4.14Å; F18-Q134 VanDerWaalsContact CE2-O 3.26Å; F18-Q134 WeakPolarHBondContact CE2-O 3.19Å; F18-Q134 HydrophobicContact CG-CB 4.08Å; F18-Q134 HydrophobicContact CG-CG 3.8Å; F18-Q134 HydrophobicContact CZ-CB 4.46Å; F18-Q134 HydrophobicContact CZ-CG 4.3Å; F18-V137 HydrophobicContact CE2-CB 4.27Å; F18-V137 HydrophobicContact CE2-CG1 4.3Å; F18-V137 HydrophobicContact CZ-CB 4.06Å; F18-V137 HydrophobicContact CZ-CG1 3.81Å; F18-L138 HydrophobicContact CE2-CB 4.45Å; F18-Y225 HydrophobicContact CE1-CD1 4.39Å; F18-Y225 AromaticContact CE1-CE1 3.63Å; F18-Y225 HydrophobicContact CE1-CE1 3.63Å; F18-Y225 AromaticContact CE1-CZ 3.88Å; F18-Y225 HydrophobicContact CZ-CE1 4.2Å
19L94.4Very high90Very high98 Ų9879.4 Ų79.451%0.51339%0.386SS..Hα-helixtrans-64.8-40.8173-69.4170.8000112K15 L16 L22 S23K15-L19 WeakPolarHBondContact O-CG 3.15Å; K15-L19 PolarHBondContact O-N 2.93Å; K15-L19 VanDerWaalsContact O-N 3.1Å; L16-L19 WeakPolarHBondContact O-CB 3.4Å; L16-L19 PolarHBondContact O-N 2.75Å; L16-L19 VanDerWaalsContact O-N 3.17Å; L19-L22 PolarHBondContact O-N 3.34Å; L19-S23 WeakPolarHBondContact O-CB 3.36Å; L19-S23 PolarHBondContact O-N 2.84Å
20E94.8Very high90.3Very high89 Ų8978 Ų7842%0.41638%0.381SS..Hα-helixtrans-61.5-44.9174.4-70.8169.7-17700111.5L16 R17 L22 S23 I24L16-E20 WeakPolarHBondContact O-CG 3.38Å; L16-E20 PolarHBondContact O-N 3.28Å; R17-E20 WeakPolarHBondContact CD-OE2 3.29Å; R17-E20 PolarHBondContact O-N 3.41Å; E20-L22 PolarHBondContact O-N 2.76Å; E20-S23 PolarHBondContact O-N 2.78Å; E20-I24 WeakPolarHBondContact O-CG1 3.46Å; E20-I24 PolarHBondContact O-N 3.45Å
21Q93.7Very high90.7Very high48 Ų4884 Ų8422%0.22440%0.397CS..Hα-helixtrans-57.4-46.5176.3-73.5168.62.900111.8R17 F18 I24 L25 Y225R17-Q21 VanDerWaalsContact O-CG 3.31Å; R17-Q21 WeakPolarHBondContact O-CG 3.45Å; R17-Q21 PolarHBondContact O-N 3.02Å; F18-Q21 PolarHBondContact O-N 2.93Å; Q21-I24 PolarHBondContact O-N 3.23Å; Q21-L25 PolarHBondContact O-N 2.81Å; Q21-L25 VanDerWaalsContact O-N 3.09Å; Q21-Y225 PolarHBondContact OE1-OH 3.05Å
22L91.9Very high90.6Very high31 Ų3184.3 Ų84.316%0.16240%0.395CS..Hα-helixtrans-65.6-40.3178-70.5169.4000112.2F18 L19 E20 L25 Q26 T127 L130 Q131F18-L22 WeakPolarHBondContact O-CG 3.21Å; F18-L22 PolarHBondContact O-N 2.57Å; L19-L22 PolarHBondContact O-N 3.34Å; E20-L22 PolarHBondContact O-N 2.76Å; L22-L25 PolarHBondContact O-N 2.76Å; L22-Q26 WeakPolarHBondContact O-CB 3.36Å; L22-Q26 PolarHBondContact O-N 3.47Å; L22-T127 HydrophobicContact CD2-CG2 4.19Å; L22-L130 HydrophobicContact CD2-CD2 3.89Å; L22-L130 HydrophobicContact CD2-CG 4.39Å; L22-Q131 HydrophobicContact CD1-CG 4.07Å; L22-Q131 HydrophobicContact CD2-CG 4Å
23S93.6Very high90.4Very high62 Ų6279.5 Ų79.543%0.43438%0.377SS..Hα-helixtrans-64.5-41.1178.6179.10000112.5L19 E20 Q26 T27L19-S23 WeakPolarHBondContact O-CB 3.36Å; L19-S23 PolarHBondContact O-N 2.84Å; E20-S23 PolarHBondContact O-N 2.78Å; S23-Q26 PolarHBondContact O-N 3.08Å; S23-T27 WeakPolarHBondContact O-CB 3.47Å; S23-T27 PolarHBondContact O-N 3.3Å; S23-T27 PolarHBondContact O-OG1 2.88Å
24I91.4Very high90.5Very high122 Ų12278.2 Ų78.263%0.62637%0.373SS*.Hα-helixtrans-64.3-43.7175.3-67.7167.2000110.2E20 Q21 T27 R28E20-I24 WeakPolarHBondContact O-CG1 3.46Å; E20-I24 PolarHBondContact O-N 3.45Å; Q21-I24 PolarHBondContact O-N 3.23Å; I24-T27 PolarHBondContact O-N 3.3Å; I24-R28 PolarHBondContact O-N 2.79Å
25L88.3Confident90.4Very high21 Ų2180.8 Ų80.811%0.1139%0.386CS..Hα-helixtrans-61.5-45.5177.7-176.163.5000111.6Q21 L22 T27 R28 Q29 L130 L237Q21-L25 PolarHBondContact O-N 2.81Å; Q21-L25 VanDerWaalsContact O-N 3.09Å; L22-L25 PolarHBondContact O-N 2.76Å; L25-T27 VanDerWaalsContact C-N 3.33Å; L25-T27 PolarHBondContact O-N 2.74Å; L25-R28 PolarHBondContact O-N 3.04Å; L25-Q29 WeakPolarHBondContact O-CB 3.19Å; L25-Q29 PolarHBondContact O-N 3.38Å; L25-L130 HydrophobicContact CD2-CD2 3.99Å; L25-L237 HydrophobicContact CD1-CD2 3.83Å; L25-L237 HydrophobicContact CD2-CD2 3.96Å; L25-L237 HydrophobicContact CG-CD2 4.42Å
26Q87.9Confident90.2Very high133 Ų13375.4 Ų75.462%0.62136%0.362SS*.Hα-helixtrans-61.9-40.3176.7-172.5178.56.400112.1L22 S23 Q29 Q30L22-Q26 WeakPolarHBondContact O-CB 3.36Å; L22-Q26 PolarHBondContact O-N 3.47Å; S23-Q26 PolarHBondContact O-N 3.08Å; Q26-Q29 WeakPolarHBondContact O-CB 3.25Å; Q26-Q29 PolarHBondContact O-N 2.79Å; Q26-Q30 PolarHBondContact O-N 3.43Å
27T90.9Very high90Very high67 Ų6773.4 Ų73.441%0.41135%0.35SS..Hα-helixtrans-63.8-43.3176.4-56.80000111.4S23 I24 L25 Q30 R31S23-T27 WeakPolarHBondContact O-CB 3.47Å; S23-T27 PolarHBondContact O-N 3.3Å; S23-T27 PolarHBondContact O-OG1 2.88Å; I24-T27 PolarHBondContact O-N 3.3Å; L25-T27 VanDerWaalsContact C-N 3.33Å; L25-T27 PolarHBondContact O-N 2.74Å; T27-Q30 PolarHBondContact O-N 2.6Å; T27-R31 WeakPolarHBondContact O-CG 3.16Å; T27-R31 PolarHBondContact O-N 3.22Å
28R86.1Confident90.1Very high115 Ų11571.2 Ų71.243%0.43435%0.35SS..Hα-helixtrans-61.7-46.1174.9179.5180174.5171.23.5110.9I24 L25 Q30 R31 E32I24-R28 PolarHBondContact O-N 2.79Å; L25-R28 PolarHBondContact O-N 3.04Å; R28-Q30 VanDerWaalsContact C-N 3.32Å; R28-Q30 PolarHBondContact O-N 3.4Å; R28-R31 PolarHBondContact O-N 3.27Å; R28-E32 IonicContact CZ-OE1 3.45Å; R28-E32 IonicContact NE-OE1 3.03Å; R28-E32 PolarHBondContact NE-OE1 3.21Å; R28-E32 VanDerWaalsContact NE-OE1 3.1Å; R28-E32 IonicContact NH2-OE1 2.72Å; R28-E32 WeakPolarHBondContact O-CG 3.37Å; R28-E32 PolarHBondContact O-N 3.21Å; R28-E32 VanDerWaalsContact O-N 3.16Å
29Q83.1Confident90Very high53 Ų5371.4 Ų71.425%0.24835%0.351CS..Hα-helixtrans-55.8-45.8177164.5176.72.400112L25 Q26 R31 E32 A33 L123L25-Q29 WeakPolarHBondContact O-CB 3.19Å; L25-Q29 PolarHBondContact O-N 3.38Å; Q26-Q29 WeakPolarHBondContact O-CB 3.25Å; Q26-Q29 PolarHBondContact O-N 2.79Å; Q29-R31 PolarHBondContact O-N 3.25Å; Q29-E32 PolarHBondContact O-N 3.3Å; Q29-A33 PolarHBondContact O-N 2.88Å; Q29-L123 HydrophobicContact CB-CD2 3.99Å; Q29-L123 HydrophobicContact CG-CD1 3.61Å; Q29-L123 HydrophobicContact CG-CD2 3.87Å; Q29-L123 HydrophobicContact CG-CG 4.27Å
30Q87.7Confident89.9Confident107 Ų10771.5 Ų71.550%0.534%0.344SS..Hα-helixtrans-58.9-48.3179.4-17460.743.800111.1Q26 T27 R28 E32 A33 D34Q26-Q30 PolarHBondContact O-N 3.43Å; T27-Q30 PolarHBondContact O-N 2.6Å; R28-Q30 VanDerWaalsContact C-N 3.32Å; R28-Q30 PolarHBondContact O-N 3.4Å; Q30-E32 VanDerWaalsContact C-N 3.27Å; Q30-E32 PolarHBondContact O-N 3.2Å; Q30-A33 WeakPolarHBondContact O-CB 3.42Å; Q30-A33 PolarHBondContact O-N 3.44Å; Q30-D34 PolarHBondContact NE2-OD1 2.94Å; Q30-D34 PolarHBondContact O-N 2.83Å
31R88.6Confident89.9Confident179 Ų17969.8 Ų69.868%0.67534%0.342SS*.Hα-helixtrans-56.8-41.9178.5-68.3174.3-178.1-179.60.2112.6T27 R28 Q29 A33 L35T27-R31 WeakPolarHBondContact O-CG 3.16Å; T27-R31 PolarHBondContact O-N 3.22Å; R28-R31 PolarHBondContact O-N 3.27Å; Q29-R31 PolarHBondContact O-N 3.25Å; R31-A33 VanDerWaalsContact C-N 3.33Å; R31-L35 PolarHBondContact O-N 3.22Å
32E85.5Confident90Very high25 Ų2573.2 Ų73.212%0.11735%0.354CS..Hα-helixtrans-78.6-17.8180-56176.7-175.300113.2R28 Q29 Q30 L36 K119 L245R28-E32 IonicContact CZ-OE1 3.45Å; R28-E32 IonicContact NE-OE1 3.03Å; R28-E32 PolarHBondContact NE-OE1 3.21Å; R28-E32 VanDerWaalsContact NE-OE1 3.1Å; R28-E32 IonicContact NH2-OE1 2.72Å; R28-E32 WeakPolarHBondContact O-CG 3.37Å; R28-E32 PolarHBondContact O-N 3.21Å; R28-E32 VanDerWaalsContact O-N 3.16Å; Q29-E32 PolarHBondContact O-N 3.3Å; Q30-E32 VanDerWaalsContact C-N 3.27Å; Q30-E32 PolarHBondContact O-N 3.2Å; E32-L36 PolarHBondContact O-N 3.29Å; E32-K119 PolarHBondContact O-NZ 3.49Å; E32-K119 VanDerWaalsContact O-NZ 3.11Å; E32-K119 WeakPolarHBondContact OE2-CE 3.41Å; E32-K119 IonicContact OE2-NZ 3.96Å; E32-K119 PolarHBondContact OE2-NZ 3.03Å; E32-L245 HydrophobicContact CB-CD1 4.28Å; E32-L245 HydrophobicContact CG-CD1 4.26Å
33A85.3Confident90.2Very high21 Ų2171.8 Ų71.817%0.17435%0.346CS..Hα-helixtrans-77.7-41169.900000110.5Q29 Q30 R31 L35 L36 E37Q29-A33 PolarHBondContact O-N 2.88Å; Q30-A33 WeakPolarHBondContact O-CB 3.42Å; Q30-A33 PolarHBondContact O-N 3.44Å; R31-A33 VanDerWaalsContact C-N 3.33Å; A33-L35 VanDerWaalsContact C-N 3.3Å; A33-L35 PolarHBondContact O-N 3.22Å; A33-L36 PolarHBondContact O-N 3.13Å; A33-L36 VanDerWaalsContact O-N 3.16Å; A33-E37 PolarHBondContact O-N 2.81Å
34D90.1Very high90.4Very high75 Ų7575.6 Ų75.640%0.40136%0.355SS..Hα-helixtrans-58.4-43.9172.9-59.4-25000110.2Q30 L36 E37 D38Q30-D34 PolarHBondContact NE2-OD1 2.94Å; Q30-D34 PolarHBondContact O-N 2.83Å; D34-L36 VanDerWaalsContact C-N 3.34Å; D34-L36 PolarHBondContact O-N 3.29Å; D34-E37 WeakPolarHBondContact O-CA 3.06Å; D34-E37 WeakPolarHBondContact O-CB 3.46Å; D34-E37 PolarHBondContact O-N 3.09Å; D34-E37 VanDerWaalsContact O-N 3.09Å; D34-D38 PolarHBondContact O-N 3.43Å
35L90.2Very high90.7Very high79 Ų7975.7 Ų75.741%0.41435%0.353SS..Hα-helixtrans-59.7-40.1175.2179.161.1000113.3R31 A33 E37 D38 I39 L245R31-L35 PolarHBondContact O-N 3.22Å; A33-L35 VanDerWaalsContact C-N 3.3Å; A33-L35 PolarHBondContact O-N 3.22Å; L35-E37 VanDerWaalsContact C-N 3.28Å; L35-E37 PolarHBondContact O-N 3.08Å; L35-D38 PolarHBondContact O-N 2.8Å; L35-I39 HydrophobicContact CD1-CD1 4.35Å; L35-I39 HydrophobicContact CD1-CG1 4.46Å; L35-I39 HydrophobicContact CG-CD1 4.11Å; L35-I39 VanDerWaalsContact O-CG1 3.3Å; L35-I39 WeakPolarHBondContact O-CG1 3.31Å; L35-I39 PolarHBondContact O-N 2.89Å; L35-L245 HydrophobicContact CD2-CD2 4.27Å
36L88.8Confident91.1Very high1 Ų177.7 Ų77.71%0.00536%0.359CS..Hα-helixtrans-67.3-33.1176.5-77.5177.4000111.9E32 A33 D34 R40 K119 L245 P248E32-L36 PolarHBondContact O-N 3.29Å; A33-L36 PolarHBondContact O-N 3.13Å; A33-L36 VanDerWaalsContact O-N 3.16Å; D34-L36 VanDerWaalsContact C-N 3.34Å; D34-L36 PolarHBondContact O-N 3.29Å; L36-R40 WeakPolarHBondContact O-CB 3.46Å; L36-R40 PolarHBondContact O-N 3.43Å; L36-K119 HydrophobicContact CD1-CD 3.42Å; L36-K119 VanDerWaalsContact CD1-CD 3.42Å; L36-L245 HydrophobicContact CD1-CD2 4.45Å; L36-L245 HydrophobicContact CD2-CD2 3.73Å; L36-L245 HydrophobicContact CG-CD2 3.8Å; L36-P248 HydrophobicContact CD2-CG 4.41Å
37E90.6Very high91.6Very high56 Ų5671.5 Ų71.526%0.26233%0.331SS..Hα-helixtrans-68.2-40.4174.3-169.157.1-140.600111.3A33 D34 L35 R40 S41 R116A33-E37 PolarHBondContact O-N 2.81Å; D34-E37 WeakPolarHBondContact O-CA 3.06Å; D34-E37 WeakPolarHBondContact O-CB 3.46Å; D34-E37 PolarHBondContact O-N 3.09Å; D34-E37 VanDerWaalsContact O-N 3.09Å; L35-E37 VanDerWaalsContact C-N 3.28Å; L35-E37 PolarHBondContact O-N 3.08Å; E37-R40 WeakPolarHBondContact O-CB 3.2Å; E37-R40 PolarHBondContact O-N 2.8Å; E37-R40 IonicContact OE1-CZ 2.91Å; E37-R40 IonicContact OE1-NE 2.9Å; E37-R40 PolarHBondContact OE1-NE 2.92Å; E37-R40 IonicContact OE1-NH2 3.18Å; E37-R40 PolarHBondContact OE1-NH2 2.82Å; E37-R40 IonicContact OE2-NE 2.64Å; E37-R40 PolarHBondContact OE2-NE 3.22Å; E37-S41 WeakPolarHBondContact O-CB 3.35Å; E37-S41 PolarHBondContact O-N 2.73Å; E37-R116 IonicContact OE2-NH1 2.7Å; E37-R116 PolarHBondContact OE2-NH1 2.87Å
38D93.4Very high92Very high105 Ų10570.2 Ų70.256%0.56133%0.327SS*.Hα-helixtrans-61.9-47.3173.2-70.8-19.7000111.1D34 L35 R40 S41 Y42D34-D38 PolarHBondContact O-N 3.43Å; L35-D38 PolarHBondContact O-N 2.8Å; D38-R40 VanDerWaalsContact C-N 3.29Å; D38-R40 PolarHBondContact O-N 2.76Å; D38-S41 PolarHBondContact O-N 3.01Å; D38-Y42 VanDerWaalsContact O-CB 3.25Å; D38-Y42 WeakPolarHBondContact O-CB 3.46Å; D38-Y42 PolarHBondContact O-N 3.03Å
39I92.9Very high92.6Very high12 Ų1269.4 Ų69.46%0.06233%0.33CS..Hα-helixtrans-58.8-42.6175.9-70.7166.9000110.6L35 S43 P248 L249 L252L35-I39 HydrophobicContact CD1-CD1 4.35Å; L35-I39 HydrophobicContact CD1-CG1 4.46Å; L35-I39 HydrophobicContact CG-CD1 4.11Å; L35-I39 VanDerWaalsContact O-CG1 3.3Å; L35-I39 WeakPolarHBondContact O-CG1 3.31Å; L35-I39 PolarHBondContact O-N 2.89Å; I39-S43 VanDerWaalsContact O-CB 3.27Å; I39-S43 WeakPolarHBondContact O-CB 3.5Å; I39-S43 PolarHBondContact O-N 2.84Å; I39-S43 PolarHBondContact O-OG 2.82Å; I39-P248 HydrophobicContact CG2-CB 4Å; I39-L249 HydrophobicContact CD1-CD2 3.92Å; I39-L249 HydrophobicContact CD1-CG 4.3Å; I39-L249 HydrophobicContact CG1-CD2 4.45Å; I39-L252 HydrophobicContact CG2-CD1 4.26Å
40R92.9Very high93.3Very high100 Ų10067.2 Ų67.238%0.37732%0.32SS..Hα-helixtrans-60.8-49.8177-167.1-172.473.4102-2.1111.6L36 E37 D38 S43 K44 A111 T114L36-R40 WeakPolarHBondContact O-CB 3.46Å; L36-R40 PolarHBondContact O-N 3.43Å; E37-R40 WeakPolarHBondContact O-CB 3.2Å; E37-R40 PolarHBondContact O-N 2.8Å; E37-R40 IonicContact OE1-CZ 2.91Å; E37-R40 IonicContact OE1-NE 2.9Å; E37-R40 PolarHBondContact OE1-NE 2.92Å; E37-R40 IonicContact OE1-NH2 3.18Å; E37-R40 PolarHBondContact OE1-NH2 2.82Å; E37-R40 IonicContact OE2-NE 2.64Å; E37-R40 PolarHBondContact OE2-NE 3.22Å; D38-R40 VanDerWaalsContact C-N 3.29Å; D38-R40 PolarHBondContact O-N 2.76Å; R40-S43 PolarHBondContact O-N 3.24Å; R40-K44 PolarHBondContact O-N 2.78Å; R40-A111 HydrophobicContact CG-CB 4.42Å; R40-A111 WeakPolarHBondContact CG-O 3.42Å; R40-T114 HydrophobicContact CB-CG2 3.81Å; R40-T114 HydrophobicContact CG-CG2 4.05Å
41S95.3Very high93.8Very high53 Ų5365.2 Ų65.237%0.37131%0.308SS..Hα-helixtrans-63.5-46.9-179.2-173.10000111.2E37 D38 S43 K44 Q45E37-S41 WeakPolarHBondContact O-CB 3.35Å; E37-S41 PolarHBondContact O-N 2.73Å; D38-S41 PolarHBondContact O-N 3.01Å; S41-S43 PolarHBondContact O-N 3.08Å; S41-K44 PolarHBondContact O-N 3.23Å; S41-Q45 WeakPolarHBondContact O-CG 3.35Å; S41-Q45 PolarHBondContact O-N 3.46Å
42Y96.3Very high94.3Very high121 Ų12163 Ų6348%0.47531%0.305SS..Hα-helixtrans-56.3-50.5174173.6-94.9000111.4D38 K44 Q45 R46 L252D38-Y42 VanDerWaalsContact O-CB 3.25Å; D38-Y42 WeakPolarHBondContact O-CB 3.46Å; D38-Y42 PolarHBondContact O-N 3.03Å; Y42-K44 VanDerWaalsContact C-N 3.29Å; Y42-K44 PolarHBondContact O-N 2.76Å; Y42-Q45 PolarHBondContact O-N 3.31Å; Y42-Q45 VanDerWaalsContact O-N 3.16Å; Y42-R46 HydrophobicContact CE1-CB 4.36Å; Y42-R46 WeakPolarHBondContact O-CB 3.44Å; Y42-R46 PolarHBondContact O-N 3.47Å; Y42-L252 HydrophobicContact CD1-CD1 4.32Å; Y42-L252 HydrophobicContact CE1-CD1 4.36Å; Y42-L252 HydrophobicContact CE1-CD2 4.4Å
43S96.1Very high94.9Very high0 Ų067.6 Ų67.60%032%0.323CS..Hα-helixtrans-60.8-39.2-179.2-56.60000111.5I39 R40 S41 R46 A47I39-S43 VanDerWaalsContact O-CB 3.27Å; I39-S43 WeakPolarHBondContact O-CB 3.5Å; I39-S43 PolarHBondContact O-N 2.84Å; I39-S43 PolarHBondContact O-OG 2.82Å; R40-S43 PolarHBondContact O-N 3.24Å; S41-S43 PolarHBondContact O-N 3.08Å; S43-R46 PolarHBondContact O-N 3.35Å; S43-A47 VanDerWaalsContact O-CB 3.31Å; S43-A47 WeakPolarHBondContact O-CB 3.31Å; S43-A47 PolarHBondContact O-N 2.78Å
44K96.8Very high95.5Very high143 Ų14366.6 Ų66.662%0.62231%0.314SS*.Hα-helixtrans-63.7-44.6175.6-174.7-178.4177.9-176.10112.2R40 S41 Y42 A48 A111R40-K44 PolarHBondContact O-N 2.78Å; S41-K44 PolarHBondContact O-N 3.23Å; Y42-K44 VanDerWaalsContact C-N 3.29Å; Y42-K44 PolarHBondContact O-N 2.76Å; K44-A48 PolarHBondContact O-N 3.22Å; K44-A111 HydrophobicContact CB-CB 4.15Å
45Q98.1Very high95.9Very high123 Ų12366.9 Ų66.958%0.57531%0.313SS*.Hα-helixtrans-67.3-44.5177.6-68.6179.29.300111.2S41 Y42 A47 A48 I49S41-Q45 WeakPolarHBondContact O-CG 3.35Å; S41-Q45 PolarHBondContact O-N 3.46Å; Y42-Q45 PolarHBondContact O-N 3.31Å; Y42-Q45 VanDerWaalsContact O-N 3.16Å; Q45-A47 VanDerWaalsContact C-N 3.32Å; Q45-A47 PolarHBondContact O-N 3.12Å; Q45-A48 WeakPolarHBondContact O-CB 3.45Å; Q45-A48 PolarHBondContact O-N 2.85Å; Q45-A48 VanDerWaalsContact O-N 3.12Å; Q45-I49 WeakPolarHBondContact O-CG1 3.48Å; Q45-I49 PolarHBondContact O-N 3.19Å; Q45-I49 VanDerWaalsContact O-N 3.11Å
46R97.6Very high96.3Very high63 Ų6365.7 Ų65.724%0.23831%0.314CS..Hα-helixtrans-56.7-45.9174.9-170.869.3177.9162.611.1111.1Y42 S43 A48 I49 E50 Y107 E256Y42-R46 HydrophobicContact CE1-CB 4.36Å; Y42-R46 WeakPolarHBondContact O-CB 3.44Å; Y42-R46 PolarHBondContact O-N 3.47Å; S43-R46 PolarHBondContact O-N 3.35Å; R46-A48 VanDerWaalsContact C-N 3.32Å; R46-A48 PolarHBondContact O-N 3.02Å; R46-I49 PolarHBondContact O-N 3Å; R46-E50 HydrophobicContact CG-CG 4.34Å; R46-E50 IonicContact CZ-OE1 2.91Å; R46-E50 IonicContact NE-OE1 3.11Å; R46-E50 PolarHBondContact NE-OE1 2.94Å; R46-E50 IonicContact NH1-OE1 2.81Å; R46-E50 IonicContact NH2-OE1 3.36Å; R46-E50 PolarHBondContact NH2-OE1 2.84Å; R46-E50 VanDerWaalsContact O-CG 3.28Å; R46-E50 WeakPolarHBondContact O-CG 3.47Å; R46-E50 PolarHBondContact O-N 2.9Å; R46-Y107 HydrophobicContact CB-CD2 4.31Å; R46-Y107 HydrophobicContact CB-CG 4.43Å; R46-Y107 HydrophobicContact CG-CD1 4.41Å; R46-Y107 HydrophobicContact CG-CD2 3.62Å; R46-Y107 HydrophobicContact CG-CE1 4.36Å; R46-Y107 HydrophobicContact CG-CE2 3.52Å; R46-Y107 HydrophobicContact CG-CG 4.09Å; R46-E256 IonicContact CZ-OE1 3.88Å; R46-E256 VanDerWaalsContact CZ-OE1 3.27Å; R46-E256 IonicContact NE-OE1 3.03Å; R46-E256 PolarHBondContact NE-OE1 3.09Å; R46-E256 VanDerWaalsContact NH2-CD 3.35Å; R46-E256 IonicContact NH2-OE1 3.78Å; R46-E256 PolarHBondContact NH2-OE1 2.82Å; R46-E256 IonicContact NH2-OE2 2.82Å; R46-E256 PolarHBondContact NH2-OE2 3.38Å
47A98.1Very high96.7Very high3 Ų367 Ų673%0.02532%0.321CS..Hα-helixtrans-57.1-42.4175.700000112.6S43 Q45 R51 S104 R108S43-A47 VanDerWaalsContact O-CB 3.31Å; S43-A47 WeakPolarHBondContact O-CB 3.31Å; S43-A47 PolarHBondContact O-N 2.78Å; Q45-A47 VanDerWaalsContact C-N 3.32Å; Q45-A47 PolarHBondContact O-N 3.12Å; A47-R51 WeakPolarHBondContact O-CB 3.33Å; A47-R51 PolarHBondContact O-N 3.02Å; A47-S104 WeakPolarHBondContact CB-O 3.46Å; A47-S104 WeakPolarHBondContact O-CB 3.47Å; A47-S104 PolarHBondContact O-OG 3.13Å; A47-R108 HydrophobicContact CB-CB 4.24Å
48A98.3Very high97Very high41 Ų4167.5 Ų67.534%0.33932%0.324SS..Hα-helixtrans-63.9-47.4178.600000111.7K44 Q45 R46 E50 R51 E52K44-A48 PolarHBondContact O-N 3.22Å; Q45-A48 WeakPolarHBondContact O-CB 3.45Å; Q45-A48 PolarHBondContact O-N 2.85Å; Q45-A48 VanDerWaalsContact O-N 3.12Å; R46-A48 VanDerWaalsContact C-N 3.32Å; R46-A48 PolarHBondContact O-N 3.02Å; A48-E50 PolarHBondContact O-N 3.44Å; A48-R51 WeakPolarHBondContact O-CB 3.49Å; A48-R51 PolarHBondContact O-N 3.04Å; A48-E52 WeakPolarHBondContact O-CG 3.23Å; A48-E52 PolarHBondContact O-N 2.86Å
49I98.4Very high97.1Very high97 Ų9769.9 Ų69.950%0.49733%0.329SS..Hα-helixtrans-60.6-48.9179.3-65.1166.7000111Q45 R46 R51 E52 Y53Q45-I49 WeakPolarHBondContact O-CG1 3.48Å; Q45-I49 PolarHBondContact O-N 3.19Å; Q45-I49 VanDerWaalsContact O-N 3.11Å; R46-I49 PolarHBondContact O-N 3Å; I49-R51 PolarHBondContact O-N 2.94Å; I49-E52 PolarHBondContact O-N 2.81Å; I49-Y53 WeakPolarHBondContact O-CB 3.38Å; I49-Y53 PolarHBondContact O-N 2.99Å
50E98.1Very high97.4Very high7 Ų774.2 Ų74.23%0.03335%0.352CS..Hα-helixtrans-63-33179.7-66.5-67.2153.800111.7R46 A48 G54 R100 Y107R46-E50 HydrophobicContact CG-CG 4.34Å; R46-E50 IonicContact CZ-OE1 2.91Å; R46-E50 IonicContact NE-OE1 3.11Å; R46-E50 PolarHBondContact NE-OE1 2.94Å; R46-E50 IonicContact NH1-OE1 2.81Å; R46-E50 IonicContact NH2-OE1 3.36Å; R46-E50 PolarHBondContact NH2-OE1 2.84Å; R46-E50 VanDerWaalsContact O-CG 3.28Å; R46-E50 WeakPolarHBondContact O-CG 3.47Å; R46-E50 PolarHBondContact O-N 2.9Å; A48-E50 PolarHBondContact O-N 3.44Å; E50-G54 PolarHBondContact O-N 2.82Å; E50-R100 IonicContact OE1-NH1 3.04Å; E50-R100 PolarHBondContact OE1-NH1 3Å; E50-R100 WeakPolarHBondContact OE2-CD 3.48Å; E50-R100 IonicContact OE2-CZ 3.12Å; E50-R100 IonicContact OE2-NE 3.44Å; E50-R100 IonicContact OE2-NH1 2.63Å; E50-R100 PolarHBondContact OE2-NH1 2.77Å; E50-R100 VanDerWaalsContact OE2-NH1 3.13Å; E50-Y107 HydrophobicContact CG-CD2 4.09Å; E50-Y107 HydrophobicContact CG-CE2 3.94Å
51R98.4Very high97.5Very high65 Ų6569.5 Ų69.525%0.24533%0.334CS..Hα-helixtrans-66.1-50175-173.1170.9-70.597.27.4111.7A47 A48 I49 Y53 G54 Q55 L101 S104 D105A47-R51 WeakPolarHBondContact O-CB 3.33Å; A47-R51 PolarHBondContact O-N 3.02Å; A48-R51 WeakPolarHBondContact O-CB 3.49Å; A48-R51 PolarHBondContact O-N 3.04Å; I49-R51 PolarHBondContact O-N 2.94Å; R51-Y53 VanDerWaalsContact C-N 3.33Å; R51-G54 PolarHBondContact O-N 3.49Å; R51-Q55 WeakPolarHBondContact O-CB 3.43Å; R51-Q55 VanDerWaalsContact O-CG 3.27Å; R51-Q55 WeakPolarHBondContact O-CG 3.16Å; R51-Q55 PolarHBondContact O-N 3.06Å; R51-L101 HydrophobicContact CG-CD2 4.18Å; R51-S104 WeakPolarHBondContact CB-OG 3.31Å; R51-S104 PolarHBondContact NH1-OG 3.06Å; R51-S104 PolarHBondContact NH2-OG 2.53Å; R51-D105 IonicContact NH2-OD1 3.72Å; R51-D105 PolarHBondContact NH2-OD1 3.47Å
52E98.6Very high97.4Very high133 Ų13368 Ų6862%0.62133%0.328SS*.Hα-helixtrans-61.3-44.6179.6-72.2174-169.600110.9A48 I49 Q55 A56A48-E52 WeakPolarHBondContact O-CG 3.23Å; A48-E52 PolarHBondContact O-N 2.86Å; I49-E52 PolarHBondContact O-N 2.81Å; E52-Q55 PolarHBondContact O-N 3.13Å; E52-A56 WeakPolarHBondContact O-CB 3.43Å; E52-A56 PolarHBondContact O-N 2.96Å
53Y98.3Very high97.2Very high122 Ų12266.1 Ų66.148%0.47833%0.33SS..Hα-helixtrans-64.3-47.8177.5-176.1-123.8000112.3I49 R51 Q55 A56 L57 R100I49-Y53 WeakPolarHBondContact O-CB 3.38Å; I49-Y53 PolarHBondContact O-N 2.99Å; R51-Y53 VanDerWaalsContact C-N 3.33Å; Y53-Q55 VanDerWaalsContact C-N 3.32Å; Y53-Q55 PolarHBondContact O-N 3.19Å; Y53-A56 WeakPolarHBondContact O-CB 3.48Å; Y53-A56 PolarHBondContact O-N 2.67Å; Y53-A56 VanDerWaalsContact O-N 3.14Å; Y53-L57 HydrophobicContact CD1-CD1 4.22Å; Y53-L57 HydrophobicContact CD2-CG 4.49Å; Y53-L57 HydrophobicContact CE1-CD1 3.73Å; Y53-L57 HydrophobicContact CE1-CG 4.47Å; Y53-L57 HydrophobicContact CE2-CD1 4.25Å; Y53-L57 HydrophobicContact CE2-CD2 4.15Å; Y53-L57 HydrophobicContact CE2-CG 4.12Å; Y53-L57 WeakPolarHBondContact O-CG 3.44Å; Y53-L57 PolarHBondContact O-N 2.84Å; Y53-R100 HydrophobicContact CD1-CB 4.46Å; Y53-R100 HydrophobicContact CD1-CG 3.92Å; Y53-R100 HydrophobicContact CE1-CG 4.14Å
54G98Very high97.1Very high0 Ų069.6 Ų69.60%035%0.345CS..Hα-helixtrans-58.9-41.6176.900000112.9E50 R51 Q58 G97E50-G54 PolarHBondContact O-N 2.82Å; R51-G54 PolarHBondContact O-N 3.49Å; G54-Q58 WeakPolarHBondContact O-CG 3.49Å; G54-Q58 PolarHBondContact O-N 2.77Å; G54-G97 WeakPolarHBondContact CA-O 3.29Å
55Q98.4Very high96.7Very high81 Ų8164.7 Ų64.738%0.37933%0.326SS..Hα-helixtrans-67-38.8174.7-72.5177.7-2.700112.7R51 E52 Y53 Q58 K59 L101R51-Q55 WeakPolarHBondContact O-CB 3.43Å; R51-Q55 VanDerWaalsContact O-CG 3.27Å; R51-Q55 WeakPolarHBondContact O-CG 3.16Å; R51-Q55 PolarHBondContact O-N 3.06Å; E52-Q55 PolarHBondContact O-N 3.13Å; Y53-Q55 VanDerWaalsContact C-N 3.32Å; Y53-Q55 PolarHBondContact O-N 3.19Å; Q55-Q58 PolarHBondContact O-N 3.35Å; Q55-K59 WeakPolarHBondContact O-CB 3.48Å; Q55-K59 VanDerWaalsContact O-CG 3.32Å; Q55-K59 WeakPolarHBondContact O-CG 3.44Å; Q55-K59 PolarHBondContact O-N 2.88Å; Q55-L101 HydrophobicContact CG-CD2 4.04Å
56A98.4Very high96.1Very high53 Ų5366.5 Ų66.544%0.43833%0.332SS..Hα-helixtrans-62.6-43177.500000111.4E52 Y53 K59 L60E52-A56 WeakPolarHBondContact O-CB 3.43Å; E52-A56 PolarHBondContact O-N 2.96Å; Y53-A56 WeakPolarHBondContact O-CB 3.48Å; Y53-A56 PolarHBondContact O-N 2.67Å; Y53-A56 VanDerWaalsContact O-N 3.14Å; A56-K59 PolarHBondContact O-N 2.91Å; A56-L60 WeakPolarHBondContact O-CB 3.39Å; A56-L60 PolarHBondContact O-N 3.19Å
57L97.8Very high95.5Very high28 Ų2869.5 Ų69.515%0.14734%0.343CS..Hα-helixtrans-62-43175.8-68.5176.8000112.4Y53 L60 A61 T93Y53-L57 HydrophobicContact CD1-CD1 4.22Å; Y53-L57 HydrophobicContact CD2-CG 4.49Å; Y53-L57 HydrophobicContact CE1-CD1 3.73Å; Y53-L57 HydrophobicContact CE1-CG 4.47Å; Y53-L57 HydrophobicContact CE2-CD1 4.25Å; Y53-L57 HydrophobicContact CE2-CD2 4.15Å; Y53-L57 HydrophobicContact CE2-CG 4.12Å; Y53-L57 WeakPolarHBondContact O-CG 3.44Å; Y53-L57 PolarHBondContact O-N 2.84Å; L57-L60 WeakPolarHBondContact O-CB 3.36Å; L57-L60 PolarHBondContact O-N 3.12Å; L57-A61 PolarHBondContact O-N 3.13Å; L57-A61 VanDerWaalsContact O-N 3.08Å; L57-T93 HydrophobicContact CB-CG2 4.38Å; L57-T93 HydrophobicContact CD2-CG2 4.14Å
58Q95.9Very high94.3Very high68 Ų6869.6 Ų69.632%0.31834%0.343SS..Hα-helixtrans-64.6-41.7176.3-71.4-176.6-3.900112.5G54 Q55 L60 G62 L101G54-Q58 WeakPolarHBondContact O-CG 3.49Å; G54-Q58 PolarHBondContact O-N 2.77Å; Q55-Q58 PolarHBondContact O-N 3.35Å; Q58-L60 VanDerWaalsContact C-N 3.29Å; Q58-L60 PolarHBondContact O-N 3.47Å; Q58-G62 PolarHBondContact O-N 3.2Å; Q58-L101 VanDerWaalsContact NE2-CD1 3.27Å
59K97.1Very high92.6Very high154 Ų15470 Ų7067%0.6735%0.351SS*.Hα-helixtrans-65.1-34.1175.9-74.4174.5-178.1175.30112.2Q55 A56 P63Q55-K59 WeakPolarHBondContact O-CB 3.48Å; Q55-K59 VanDerWaalsContact O-CG 3.32Å; Q55-K59 WeakPolarHBondContact O-CG 3.44Å; Q55-K59 PolarHBondContact O-N 2.88Å; A56-K59 PolarHBondContact O-N 2.91Å; K59-P63 WeakPolarHBondContact O-CD 3.43Å
60L97.4Very high90.8Very high103 Ų10373.4 Ų73.454%0.53936%0.364SS..Hα-helixtrans-65.6-55.8176.2176.664000111A56 L57 Q58 F64A56-L60 WeakPolarHBondContact O-CB 3.39Å; A56-L60 PolarHBondContact O-N 3.19Å; L57-L60 WeakPolarHBondContact O-CB 3.36Å; L57-L60 PolarHBondContact O-N 3.12Å; Q58-L60 VanDerWaalsContact C-N 3.29Å; Q58-L60 PolarHBondContact O-N 3.47Å; L60-F64 WeakPolarHBondContact O-CD2 3.39Å; L60-F64 VanDerWaalsContact O-CE2 3.24Å; L60-F64 WeakPolarHBondContact O-CE2 3.42Å
61A95.8Very high88.9Confident1 Ų180.6 Ų80.61%0.00839%0.391CS..Hα-helixtrans-81-28.8-171.700000114.3L57 F64 L65 L90 T93 V94L57-A61 PolarHBondContact O-N 3.13Å; L57-A61 VanDerWaalsContact O-N 3.08Å; A61-F64 PolarHBondContact O-N 3.31Å; A61-F64 VanDerWaalsContact O-N 3.15Å; A61-L65 PolarHBondContact O-N 2.64Å; A61-L65 VanDerWaalsContact O-N 3.1Å; A61-L90 HydrophobicContact CB-CD2 4.28Å; A61-T93 HydrophobicContact CB-CG2 3.89Å; A61-V94 HydrophobicContact CB-CG2 3.6Å
62G92.7Very high86.7Confident23 Ų2378.6 Ų78.624%0.23739%0.387CS..Hα-helixtrans-54.6-47.9-173.600000115.6Q58 F64 L65 K66Q58-G62 PolarHBondContact O-N 3.2Å; G62-F64 VanDerWaalsContact C-N 3.31Å; G62-F64 PolarHBondContact O-N 3.05Å; G62-L65 PolarHBondContact O-N 2.82Å; G62-K66 WeakPolarHBondContact O-CG 3.15Å; G62-K66 PolarHBondContact O-N 2.9Å
63P93.7Very high84.5Confident81 Ų8175 Ų7553%0.52639%0.386SS..Hα-helixtrans-62-36.9177.7-24.234.6000113.3K59 R67K59-P63 WeakPolarHBondContact O-CD 3.43Å; P63-R67 PolarHBondContact O-N 2.86Å
64F92.8Very high82.1Confident73 Ų7379 Ų7932%0.3241%0.409SS..Hα-helixtrans-71.7-39.9-179.1-61-78.8000111.9L60 A61 G62 K66 R67 E68 W86 L90L60-F64 WeakPolarHBondContact O-CD2 3.39Å; L60-F64 VanDerWaalsContact O-CE2 3.24Å; L60-F64 WeakPolarHBondContact O-CE2 3.42Å; A61-F64 PolarHBondContact O-N 3.31Å; A61-F64 VanDerWaalsContact O-N 3.15Å; G62-F64 VanDerWaalsContact C-N 3.31Å; G62-F64 PolarHBondContact O-N 3.05Å; F64-K66 PolarHBondContact O-N 3.02Å; F64-R67 PolarHBondContact O-N 3.33Å; F64-E68 WeakPolarHBondContact O-CB 3.35Å; F64-E68 PolarHBondContact O-N 2.79Å; F64-W86 HydrophobicContact CB-CZ2 4.35Å; F64-W86 HydrophobicContact CD1-CZ2 4.33Å; F64-W86 HydrophobicContact CG-CZ2 4.37Å; F64-L90 HydrophobicContact CB-CD1 3.59Å; F64-L90 HydrophobicContact CB-CD2 3.8Å; F64-L90 HydrophobicContact CB-CG 4.37Å; F64-L90 HydrophobicContact CD2-CD2 4.48Å; F64-L90 HydrophobicContact CG-CD2 4.39Å
65L88.4Confident79.8Confident39 Ų3987 Ų8720%0.20445%0.448CS..Hα-helixtrans-62.7-41.9175-76.7168.9000112.4A61 G62 R67 E68 G69 R87 L90 D91 V94A61-L65 PolarHBondContact O-N 2.64Å; A61-L65 VanDerWaalsContact O-N 3.1Å; G62-L65 PolarHBondContact O-N 2.82Å; L65-R67 VanDerWaalsContact C-N 3.32Å; L65-R67 PolarHBondContact O-N 2.85Å; L65-E68 PolarHBondContact O-N 3.16Å; L65-G69 PolarHBondContact O-N 2.7Å; L65-G69 VanDerWaalsContact O-N 3.12Å; L65-R87 HydrophobicContact CD2-CG 4.3Å; L65-L90 HydrophobicContact CD1-CB 4.32Å; L65-L90 HydrophobicContact CD2-CB 3.56Å; L65-L90 HydrophobicContact CD2-CD1 4Å; L65-L90 HydrophobicContact CD2-CG 4.47Å; L65-L90 HydrophobicContact CG-CB 3.75Å; L65-L90 HydrophobicContact CG-CD1 4.11Å; L65-D91 WeakPolarHBondContact CD2-OD1 3.43Å; L65-V94 HydrophobicContact CD1-CG2 3.5Å; L65-V94 VanDerWaalsContact CD1-CG2 3.5Å
66K86.3Confident77.7Confident161 Ų16184.6 Ų84.670%0.744%0.438SS*.Hα-helixtrans-60.8-41.7175.9-73-178.8179.3-174.90111.8G62 F64 H70G62-K66 WeakPolarHBondContact O-CG 3.15Å; G62-K66 PolarHBondContact O-N 2.9Å; F64-K66 PolarHBondContact O-N 3.02Å; K66-H70 PolarHBondContact O-CE1 3.02Å; K66-H70 PolarHBondContact O-ND1 3.3Å
67R84.4Confident75.4Confident127 Ų12787.3 Ų87.348%0.47945%0.454SS..Hα-helixtrans-68.1-37.7177.6-171.7171.966.9-173.33112.2P63 F64 L65 H70P63-R67 PolarHBondContact O-N 2.86Å; F64-R67 PolarHBondContact O-N 3.33Å; L65-R67 VanDerWaalsContact C-N 3.32Å; L65-R67 PolarHBondContact O-N 2.85Å; R67-H70 PolarHBondContact O-N 2.95Å
68E72.2Confident73.4Confident4 Ų494.7 Ų94.72%0.01948%0.48CS..Hα-helixtrans-68.4-34.6-179.3-159.659.2-145.600112.9F64 L65 H70 R71 S72 F83 R87F64-E68 WeakPolarHBondContact O-CB 3.35Å; F64-E68 PolarHBondContact O-N 2.79Å; L65-E68 PolarHBondContact O-N 3.16Å; E68-H70 PolarHBondContact O-N 3.4Å; E68-R71 PolarHBondContact O-N 3.25Å; E68-R71 VanDerWaalsContact O-N 3.07Å; E68-S72 PolarHBondContact O-N 3.37Å; E68-F83 WeakPolarHBondContact OE1-CD1 3.23Å; E68-R87 PolarHBondContact O-NH2 2.95Å
69G64.3Low71.6Confident49 Ų4992.2 Ų92.251%0.50547%0.473SS..THydrogen-bonded Turntrans-61.3-20.8174.600000114.2L65L65-G69 PolarHBondContact O-N 2.7Å; L65-G69 VanDerWaalsContact O-N 3.12Å
70H59.4Low70.3Confident170 Ų17089.2 Ų89.279%0.78746%0.457SS*.THydrogen-bonded Turntrans-90.3-15.3176-65.379.2000113.2K66 R67 E68K66-H70 PolarHBondContact O-CE1 3.02Å; K66-H70 PolarHBondContact O-ND1 3.3Å; R67-H70 PolarHBondContact O-N 2.95Å; E68-H70 PolarHBondContact O-N 3.4Å
71R58.3Low69.5Low158 Ų15884.8 Ų84.860%0.59644%0.435SS*.THydrogen-bonded Turntrans-94.9-27.1-177.4-71.9-178.1170.8-169.5-8.1113.5E68E68-R71 PolarHBondContact O-N 3.25Å; E68-R71 VanDerWaalsContact O-N 3.07Å
72S52.3Low68.9Low22 Ų2288.8 Ų88.815%0.15446%0.458CS..SBendtrans-109.7102.6-174.4166.60000107.5E68 D76 R87E68-S72 PolarHBondContact O-N 3.37Å; S72-D76 VanDerWaalsContact OG-CB 3.25Å; S72-D76 WeakPolarHBondContact OG-CB 3.32Å; S72-R87 PolarHBondContact OG-NH1 3.22Å; S72-R87 PolarHBondContact OG-NH2 3.19Å
73G53Low68.5Low59 Ų5992.8 Ų92.861%0.60847%0.47SS*.  trans-57.4159.316200000110.1M75G73-M75 PolarHBondContact O-N 3.06Å
74E48.2Very low68Low206 Ų20689.2 Ų89.296%0.96345%0.448SS*.THydrogen-bonded Turntrans-51.21.3-168.6-70.2-177.7135.800117.8
75M49Very low67.8Low166 Ų16686 Ų8682%0.81844%0.435SS*.THydrogen-bonded Turntrans-78.3-13.2-175.4-99-90.1161.400115.8G73 S77G73-M75 PolarHBondContact O-N 3.06Å; M75-S77 PolarHBondContact O-N 3.31Å
76D53.4Low67.9Low32 Ų3289.2 Ų89.217%0.17144%0.444CS..  trans-96.536.4-161.9-136.10.6000115.4S72 R78 T81S72-D76 VanDerWaalsContact OG-CB 3.25Å; S72-D76 WeakPolarHBondContact OG-CB 3.32Å; D76-R78 VanDerWaalsContact C-N 3.27Å; D76-R78 PolarHBondContact O-N 3.22Å; D76-T81 VanDerWaalsContact CG-OG1 3.27Å; D76-T81 WeakPolarHBondContact OD1-CG2 3.33Å; D76-T81 PolarHBondContact OD1-OG1 2.88Å; D76-T81 PolarHBondContact OD2-OG1 3.47Å
77S51Low68Low110 Ų11084.3 Ų84.377%0.76942%0.421SS*.THydrogen-bonded Turntrans-78.70.5-17239.20000115M75M75-S77 PolarHBondContact O-N 3.31Å
78R55.2Low68.3Low182 Ų18279.3 Ų79.369%0.68741%0.406SS*.THydrogen-bonded Turntrans-112.3-2-173.5-60.1-168.8-161.3-162.79.4115.8D76 R80D76-R78 VanDerWaalsContact C-N 3.27Å; D76-R78 PolarHBondContact O-N 3.22Å; R78-R80 HydrophobicContact CB-CG 4.45Å; R78-R80 VanDerWaalsContact NH1-NH2 3.13Å; R78-R80 WeakPolarHBondContact O-CG 3.41Å; R78-R80 PolarHBondContact O-N 3.4Å
79G57.8Low69.2Low16 Ų1682.8 Ų82.817%0.16542%0.424CS..SBendtrans61.514.6176.700000115.1T273G79-T273 WeakPolarHBondContact O-CG2 3.27Å
80R70.2Confident70.6Confident91 Ų9180.9 Ų80.934%0.34340%0.402SS..  trans-90.4-4.9-177.2-69.9-168.5-79-161.35.4113.6R78 Q276 V277 S278R78-R80 HydrophobicContact CB-CG 4.45Å; R78-R80 VanDerWaalsContact NH1-NH2 3.13Å; R78-R80 WeakPolarHBondContact O-CG 3.41Å; R78-R80 PolarHBondContact O-N 3.4Å; R80-Q276 HydrophobicContact CG-CB 4.46Å; R80-V277 WeakPolarHBondContact O-CA 3.29Å; R80-S278 PolarHBondContact O-N 3.27Å
81T80.2Confident72.1Confident11 Ų1176.6 Ų76.67%0.06739%0.385CS..SBendtrans-98.5158.4177.268.80000109.9D76 F83 G84 A85 D282 L285D76-T81 VanDerWaalsContact CG-OG1 3.27Å; D76-T81 WeakPolarHBondContact OD1-CG2 3.33Å; D76-T81 PolarHBondContact OD1-OG1 2.88Å; D76-T81 PolarHBondContact OD2-OG1 3.47Å; T81-F83 PolarHBondContact O-N 3.41Å; T81-G84 PolarHBondContact O-N 2.72Å; T81-G84 PolarHBondContact OG1-N 2.83Å; T81-A85 PolarHBondContact O-N 2.97Å; T81-D282 WeakPolarHBondContact CA-OD1 3.09Å; T81-D282 VanDerWaalsContact CB-OD1 3.28Å; T81-D282 WeakPolarHBondContact CB-OD1 3.45Å; T81-D282 WeakPolarHBondContact CG2-OD1 3.46Å; T81-L285 HydrophobicContact CG2-CD1 3.94Å
82V84.8Confident73.7Confident84 Ų8470 Ų7051%0.50936%0.364SS..Hα-helixtrans-57.1-38.7174.31800000111A85 W86 V277 D282V82-A85 PolarHBondContact O-N 3.38Å; V82-W86 PolarHBondContact O-N 3Å; V82-V277 HydrophobicContact CB-CG1 4.41Å; V82-V277 HydrophobicContact CG2-CG1 3.55Å; V82-D282 PolarHBondContact N-OD2 3.17Å
83F83.9Confident75.8Confident108 Ų10871.1 Ų71.147%0.47437%0.37SS..Hα-helixtrans-67.6-40.9178.2-62.4-72.2000112.3E68 T81 W86 R87E68-F83 WeakPolarHBondContact OE1-CD1 3.23Å; T81-F83 PolarHBondContact O-N 3.41Å; F83-W86 PolarHBondContact O-N 2.79Å; F83-R87 WeakPolarHBondContact O-CB 3.4Å; F83-R87 PolarHBondContact O-N 2.92Å
84G83.5Confident77.8Confident6 Ų669.7 Ų69.76%0.06235%0.35CS..Hα-helixtrans-61.8-41.4173.200000112.8T81 R87 C88T81-G84 PolarHBondContact O-N 2.72Å; T81-G84 PolarHBondContact OG1-N 2.83Å; G84-R87 PolarHBondContact O-N 3.26Å; G84-C88 WeakPolarHBondContact O-CB 2.9Å; G84-C88 PolarHBondContact O-N 3.39Å
85A87.5Confident79.9Confident6 Ų660.7 Ų60.75%0.0531%0.31CS..Hα-helixtrans-66-42.2175.200000112.5T81 V82 C88 L89 T273 T274 V277T81-A85 PolarHBondContact O-N 2.97Å; V82-A85 PolarHBondContact O-N 3.38Å; A85-C88 WeakPolarHBondContact O-CB 3.25Å; A85-C88 PolarHBondContact O-N 2.94Å; A85-L89 PolarHBondContact O-N 2.67Å; A85-L89 VanDerWaalsContact O-N 3.16Å; A85-T273 HydrophobicContact CB-CG2 4.15Å; A85-T274 HydrophobicContact CB-CG2 4.1Å; A85-V277 HydrophobicContact CB-CG2 3.52Å
86W90.4Very high82.2Confident106 Ų10653.1 Ų53.140%0.40228%0.275SS..Hα-helixtrans-61.1-45.1173.9172.4-119.3000112.2F64 V82 F83 C88 L89 L90F64-W86 HydrophobicContact CB-CZ2 4.35Å; F64-W86 HydrophobicContact CD1-CZ2 4.33Å; F64-W86 HydrophobicContact CG-CZ2 4.37Å; V82-W86 PolarHBondContact O-N 3Å; F83-W86 PolarHBondContact O-N 2.79Å; W86-C88 VanDerWaalsContact C-N 3.33Å; W86-C88 PolarHBondContact O-N 3.27Å; W86-L89 HydrophobicContact CE3-CD1 4.44Å; W86-L89 PolarHBondContact O-N 3.31Å; W86-L90 HydrophobicContact CD2-CD1 4.34Å; W86-L90 HydrophobicContact CD2-CG 4.29Å; W86-L90 HydrophobicContact CH2-CD2 3.9Å; W86-L90 HydrophobicContact CH2-CG 4.39Å; W86-L90 HydrophobicContact CZ2-CD1 3.94Å; W86-L90 HydrophobicContact CZ2-CD2 3.68Å; W86-L90 HydrophobicContact CZ2-CG 3.95Å; W86-L90 WeakPolarHBondContact O-CG 3.16Å; W86-L90 PolarHBondContact O-N 3.1Å; W86-L90 VanDerWaalsContact O-N 3.12Å
87R89.2Confident84.2Confident58 Ų5851.6 Ų51.622%0.21927%0.267CS..Hα-helixtrans-58.4-44.1174.6-179.5176.8-71.1157.6-4.8111.7L65 E68 S72 F83 G84 L89 L90 D91L65-R87 HydrophobicContact CD2-CG 4.3Å; E68-R87 PolarHBondContact O-NH2 2.95Å; S72-R87 PolarHBondContact OG-NH1 3.22Å; S72-R87 PolarHBondContact OG-NH2 3.19Å; F83-R87 WeakPolarHBondContact O-CB 3.4Å; F83-R87 PolarHBondContact O-N 2.92Å; G84-R87 PolarHBondContact O-N 3.26Å; R87-L89 VanDerWaalsContact C-N 3.31Å; R87-L89 PolarHBondContact O-N 3.07Å; R87-L90 WeakPolarHBondContact O-CB 2.83Å; R87-L90 PolarHBondContact O-N 3.32Å; R87-L90 VanDerWaalsContact O-N 3.12Å; R87-D91 PolarHBondContact O-N 2.89Å
88C89.7Confident86.4Confident22 Ų2251 Ų5115%0.14925%0.252CS..Hα-helixtrans-57.9-41.2177.4-1720000112.5G84 A85 W86 D91 A92 T273G84-C88 WeakPolarHBondContact O-CB 2.9Å; G84-C88 PolarHBondContact O-N 3.39Å; A85-C88 WeakPolarHBondContact O-CB 3.25Å; A85-C88 PolarHBondContact O-N 2.94Å; W86-C88 VanDerWaalsContact C-N 3.33Å; W86-C88 PolarHBondContact O-N 3.27Å; C88-D91 PolarHBondContact O-N 3.46Å; C88-A92 WeakPolarHBondContact O-CB 3.16Å; C88-A92 PolarHBondContact O-N 3.46Å; C88-T273 HydrophobicContact CB-CG2 4.03Å; C88-T273 PolarHBondContact SG-OG1 2.88Å; C88-T273 VanDerWaalsContact SG-OG1 3.38Å
89L91.6Very high88.4Confident76 Ų7643 Ų4340%0.39822%0.223SC..Hα-helixtrans-65.5-39.4175.5-69.3170.8000112.7A85 W86 R87 T93A85-L89 PolarHBondContact O-N 2.67Å; A85-L89 VanDerWaalsContact O-N 3.16Å; W86-L89 HydrophobicContact CE3-CD1 4.44Å; W86-L89 PolarHBondContact O-N 3.31Å; R87-L89 VanDerWaalsContact C-N 3.31Å; R87-L89 PolarHBondContact O-N 3.07Å; L89-T93 PolarHBondContact O-N 3.37Å; L89-T93 PolarHBondContact O-OG1 2.94Å
90L93.1Very high90.2Very high9 Ų944.2 Ų44.25%0.04722%0.223CC..Hα-helixtrans-67.3-43.6176.3-68.2176.7000111.9A61 F64 L65 W86 R87 A92 T93 V94A61-L90 HydrophobicContact CB-CD2 4.28Å; F64-L90 HydrophobicContact CB-CD1 3.59Å; F64-L90 HydrophobicContact CB-CD2 3.8Å; F64-L90 HydrophobicContact CB-CG 4.37Å; F64-L90 HydrophobicContact CD2-CD2 4.48Å; F64-L90 HydrophobicContact CG-CD2 4.39Å; L65-L90 HydrophobicContact CD1-CB 4.32Å; L65-L90 HydrophobicContact CD2-CB 3.56Å; L65-L90 HydrophobicContact CD2-CD1 4Å; L65-L90 HydrophobicContact CD2-CG 4.47Å; L65-L90 HydrophobicContact CG-CB 3.75Å; L65-L90 HydrophobicContact CG-CD1 4.11Å; W86-L90 HydrophobicContact CD2-CD1 4.34Å; W86-L90 HydrophobicContact CD2-CG 4.29Å; W86-L90 HydrophobicContact CH2-CD2 3.9Å; W86-L90 HydrophobicContact CH2-CG 4.39Å; W86-L90 HydrophobicContact CZ2-CD1 3.94Å; W86-L90 HydrophobicContact CZ2-CD2 3.68Å; W86-L90 HydrophobicContact CZ2-CG 3.95Å; W86-L90 WeakPolarHBondContact O-CG 3.16Å; W86-L90 PolarHBondContact O-N 3.1Å; W86-L90 VanDerWaalsContact O-N 3.12Å; R87-L90 WeakPolarHBondContact O-CB 2.83Å; R87-L90 PolarHBondContact O-N 3.32Å; R87-L90 VanDerWaalsContact O-N 3.12Å; L90-A92 VanDerWaalsContact C-N 3.34Å; L90-A92 PolarHBondContact O-N 3.49Å; L90-T93 WeakPolarHBondContact O-CB 3.36Å; L90-T93 PolarHBondContact O-N 3.27Å; L90-T93 VanDerWaalsContact O-N 3.15Å; L90-V94 PolarHBondContact O-N 3.5Å
91D91.1Very high91.6Very high80 Ų8041.7 Ų41.743%0.42822%0.216SC..Hα-helixtrans-61.7-42.3175.8-73.3-28.3000111.2L65 R87 C88 T93 V94 A95L65-D91 WeakPolarHBondContact CD2-OD1 3.43Å; R87-D91 PolarHBondContact O-N 2.89Å; C88-D91 PolarHBondContact O-N 3.46Å; D91-T93 VanDerWaalsContact C-N 3.29Å; D91-T93 PolarHBondContact O-N 2.73Å; D91-V94 PolarHBondContact O-N 2.84Å; D91-A95 WeakPolarHBondContact O-CB 3.11Å; D91-A95 PolarHBondContact O-N 3.45Å
92A93.3Very high92.4Very high20 Ų2046.3 Ų46.317%0.16524%0.237CC..Hα-helixtrans-58.3-40.617300000112.2C88 L90 A95 G96 H266C88-A92 WeakPolarHBondContact O-CB 3.16Å; C88-A92 PolarHBondContact O-N 3.46Å; L90-A92 VanDerWaalsContact C-N 3.34Å; L90-A92 PolarHBondContact O-N 3.49Å; A92-A95 PolarHBondContact O-N 3.27Å; A92-G96 PolarHBondContact O-N 3.35Å; A92-H266 HydrophobicContact CB-CB 3.83Å
93T95.6Very high93Very high45 Ų4542.4 Ų42.428%0.27621%0.214SC..Hα-helixtrans-65.8-42.5177.2-56.50000111.6L57 A61 L89 L90 D91 G97L57-T93 HydrophobicContact CB-CG2 4.38Å; L57-T93 HydrophobicContact CD2-CG2 4.14Å; A61-T93 HydrophobicContact CB-CG2 3.89Å; L89-T93 PolarHBondContact O-N 3.37Å; L89-T93 PolarHBondContact O-OG1 2.94Å; L90-T93 WeakPolarHBondContact O-CB 3.36Å; L90-T93 PolarHBondContact O-N 3.27Å; L90-T93 VanDerWaalsContact O-N 3.15Å; D91-T93 VanDerWaalsContact C-N 3.29Å; D91-T93 PolarHBondContact O-N 2.73Å; T93-G97 PolarHBondContact O-N 2.97Å
94V94.7Very high93.7Very high30 Ų3037.3 Ų37.318%0.18219%0.191CC..Hα-helixtrans-65.1-45.6175.7172.60000111.4A61 L65 L90 D91 G96 G97 Q98A61-V94 HydrophobicContact CB-CG2 3.6Å; L65-V94 HydrophobicContact CD1-CG2 3.5Å; L65-V94 VanDerWaalsContact CD1-CG2 3.5Å; L90-V94 PolarHBondContact O-N 3.5Å; D91-V94 PolarHBondContact O-N 2.84Å; V94-G96 VanDerWaalsContact C-N 3.35Å; V94-G96 PolarHBondContact O-N 2.93Å; V94-G97 WeakPolarHBondContact O-CA 3.26Å; V94-G97 PolarHBondContact O-N 2.97Å; V94-G97 VanDerWaalsContact O-N 3.13Å; V94-Q98 HydrophobicContact CG1-CG 4.48Å; V94-Q98 WeakPolarHBondContact O-CG 3.17Å; V94-Q98 PolarHBondContact O-N 3.33Å
95A93.5Very high94.3Very high16 Ų1639.9 Ų39.913%0.13220%0.203CC..Hα-helixtrans-63.2-40.6178.400000111.8D91 A92 G97 Q98 T99 H266D91-A95 WeakPolarHBondContact O-CB 3.11Å; D91-A95 PolarHBondContact O-N 3.45Å; A92-A95 PolarHBondContact O-N 3.27Å; A95-G97 VanDerWaalsContact C-N 3.33Å; A95-G97 PolarHBondContact O-N 3.34Å; A95-Q98 PolarHBondContact O-N 3.23Å; A95-T99 WeakPolarHBondContact O-CB 3.22Å; A95-T99 PolarHBondContact O-N 2.77Å; A95-T99 PolarHBondContact O-OG1 3.22Å; A95-H266 VanDerWaalsContact CB-NE2 3.26Å; A95-H266 WeakPolarHBondContact CB-NE2 3.24Å
96G95.4Very high94.7Very high8 Ų844.2 Ų44.28%0.08222%0.219CC..Hα-helixtrans-58.6-44.6170.400000111.9A92 V94 T99 R100A92-G96 PolarHBondContact O-N 3.35Å; V94-G96 VanDerWaalsContact C-N 3.35Å; V94-G96 PolarHBondContact O-N 2.93Å; G96-T99 PolarHBondContact O-N 3.03Å; G96-R100 WeakPolarHBondContact O-CG 3.47Å; G96-R100 PolarHBondContact O-N 3.22Å; G96-R100 VanDerWaalsContact O-N 3.09Å
97G96.7Very high95Very high0 Ų039.3 Ų39.30%020%0.2CC..Hα-helixtrans-59.6-46.8174.100000113.4G54 T93 V94 A95 T99 R100 L101G54-G97 WeakPolarHBondContact CA-O 3.29Å; T93-G97 PolarHBondContact O-N 2.97Å; V94-G97 WeakPolarHBondContact O-CA 3.26Å; V94-G97 PolarHBondContact O-N 2.97Å; V94-G97 VanDerWaalsContact O-N 3.13Å; A95-G97 VanDerWaalsContact C-N 3.33Å; A95-G97 PolarHBondContact O-N 3.34Å; G97-T99 PolarHBondContact O-N 3.32Å; G97-R100 PolarHBondContact O-N 3.03Å; G97-L101 WeakPolarHBondContact O-CG 3.4Å; G97-L101 PolarHBondContact O-N 3.39Å; G97-L101 VanDerWaalsContact O-N 3.1Å
98Q96.4Very high95.3Very high96 Ų9642.1 Ų42.145%0.44921%0.211SC..Hα-helixtrans-61.2-43.2176.7-71.2178.34.800112.4V94 A95 R100 L101 Q102V94-Q98 HydrophobicContact CG1-CG 4.48Å; V94-Q98 WeakPolarHBondContact O-CG 3.17Å; V94-Q98 PolarHBondContact O-N 3.33Å; A95-Q98 PolarHBondContact O-N 3.23Å; Q98-R100 VanDerWaalsContact C-N 3.29Å; Q98-R100 PolarHBondContact O-N 3.39Å; Q98-L101 WeakPolarHBondContact O-CB 3.48Å; Q98-L101 PolarHBondContact O-N 3.12Å; Q98-L101 VanDerWaalsContact O-N 3.14Å; Q98-Q102 WeakPolarHBondContact O-CG 3.37Å; Q98-Q102 PolarHBondContact O-N 3.45Å
99T97Very high95.5Very high15 Ų1546 Ų469%0.09223%0.23CC..Hα-helixtrans-60.4-41.1177.9-57.10000111.2A95 G96 G97 L101 Q102 A103 A259 V262A95-T99 WeakPolarHBondContact O-CB 3.22Å; A95-T99 PolarHBondContact O-N 2.77Å; A95-T99 PolarHBondContact O-OG1 3.22Å; G96-T99 PolarHBondContact O-N 3.03Å; G97-T99 PolarHBondContact O-N 3.32Å; T99-L101 VanDerWaalsContact C-N 3.35Å; T99-L101 PolarHBondContact O-N 3.44Å; T99-Q102 PolarHBondContact O-N 2.89Å; T99-A103 PolarHBondContact O-N 3.15Å; T99-A259 HydrophobicContact CG2-CB 3.87Å; T99-V262 HydrophobicContact CG2-CB 4.14Å; T99-V262 HydrophobicContact CG2-CG1 4.34Å; T99-V262 HydrophobicContact CG2-CG2 4.49Å; T99-V262 WeakPolarHBondContact OG1-CG1 3.1Å
100R97.3Very high95.5Very high42 Ų4243.3 Ų43.316%0.15822%0.216CC..Hα-helixtrans-66.1-35.3176.1-63.9-75.6167.6-167.5-2.8112.3E50 Y53 G96 G97 Q98 A103 S104 E256E50-R100 IonicContact OE1-NH1 3.04Å; E50-R100 PolarHBondContact OE1-NH1 3Å; E50-R100 WeakPolarHBondContact OE2-CD 3.48Å; E50-R100 IonicContact OE2-CZ 3.12Å; E50-R100 IonicContact OE2-NE 3.44Å; E50-R100 IonicContact OE2-NH1 2.63Å; E50-R100 PolarHBondContact OE2-NH1 2.77Å; E50-R100 VanDerWaalsContact OE2-NH1 3.13Å; Y53-R100 HydrophobicContact CD1-CB 4.46Å; Y53-R100 HydrophobicContact CD1-CG 3.92Å; Y53-R100 HydrophobicContact CE1-CG 4.14Å; G96-R100 WeakPolarHBondContact O-CG 3.47Å; G96-R100 PolarHBondContact O-N 3.22Å; G96-R100 VanDerWaalsContact O-N 3.09Å; G97-R100 PolarHBondContact O-N 3.03Å; Q98-R100 VanDerWaalsContact C-N 3.29Å; Q98-R100 PolarHBondContact O-N 3.39Å; R100-A103 PolarHBondContact O-N 3.29Å; R100-S104 WeakPolarHBondContact O-CB 3.41Å; R100-S104 PolarHBondContact O-N 3.37Å; R100-E256 IonicContact NH1-OE2 3.55Å; R100-E256 PolarHBondContact NH1-OE2 3.34Å
101L98Very high95.3Very high38 Ų3843.7 Ų43.720%0.19922%0.22CC..Hα-helixtrans-66.2-42172-64.7177.7000112.5R51 Q55 Q58 G97 Q98 T99 A103 S104 D105R51-L101 HydrophobicContact CG-CD2 4.18Å; Q55-L101 HydrophobicContact CG-CD2 4.04Å; Q58-L101 VanDerWaalsContact NE2-CD1 3.27Å; G97-L101 WeakPolarHBondContact O-CG 3.4Å; G97-L101 PolarHBondContact O-N 3.39Å; G97-L101 VanDerWaalsContact O-N 3.1Å; Q98-L101 WeakPolarHBondContact O-CB 3.48Å; Q98-L101 PolarHBondContact O-N 3.12Å; Q98-L101 VanDerWaalsContact O-N 3.14Å; T99-L101 VanDerWaalsContact C-N 3.35Å; T99-L101 PolarHBondContact O-N 3.44Å; L101-A103 VanDerWaalsContact C-N 3.35Å; L101-S104 VanDerWaalsContact O-CB 3.29Å; L101-S104 WeakPolarHBondContact O-CB 3.45Å; L101-S104 PolarHBondContact O-N 2.83Å; L101-D105 PolarHBondContact O-N 2.85Å
102Q97.3Very high95Very high107 Ų10743.3 Ų43.350%0.524%0.235SC..Hα-helixtrans-63-42.2175-67.1175.420.400111.5Q98 T99 S104 D105 R106Q98-Q102 WeakPolarHBondContact O-CG 3.37Å; Q98-Q102 PolarHBondContact O-N 3.45Å; T99-Q102 PolarHBondContact O-N 2.89Å; Q102-S104 VanDerWaalsContact C-N 3.32Å; Q102-S104 PolarHBondContact O-N 3.41Å; Q102-D105 PolarHBondContact O-N 2.96Å; Q102-R106 WeakPolarHBondContact O-CG 3.46Å; Q102-R106 PolarHBondContact O-N 3.35Å
103A97.5Very high94.3Very high3 Ų344.8 Ų44.83%0.02525%0.253CS..Hα-helixtrans-59.9-42.8173.100000111.7T99 R100 L101 D105 R106 Y107 T255T99-A103 PolarHBondContact O-N 3.15Å; R100-A103 PolarHBondContact O-N 3.29Å; L101-A103 VanDerWaalsContact C-N 3.35Å; A103-D105 VanDerWaalsContact C-N 3.33Å; A103-D105 PolarHBondContact O-N 2.94Å; A103-R106 PolarHBondContact O-N 3.28Å; A103-Y107 HydrophobicContact CB-CE2 4.25Å; A103-Y107 WeakPolarHBondContact O-CD2 3.13Å; A103-Y107 PolarHBondContact O-N 3.16Å; A103-T255 HydrophobicContact CB-CG2 3.7Å
104S98.1Very high93.3Very high0 Ų043.2 Ų43.20%024%0.243CC..Hα-helixtrans-57.6-43.4174.6176.90000113.1A47 R51 R100 L101 Q102 Y107 R108A47-S104 WeakPolarHBondContact CB-O 3.46Å; A47-S104 WeakPolarHBondContact O-CB 3.47Å; A47-S104 PolarHBondContact O-OG 3.13Å; R51-S104 WeakPolarHBondContact CB-OG 3.31Å; R51-S104 PolarHBondContact NH1-OG 3.06Å; R51-S104 PolarHBondContact NH2-OG 2.53Å; R100-S104 WeakPolarHBondContact O-CB 3.41Å; R100-S104 PolarHBondContact O-N 3.37Å; L101-S104 VanDerWaalsContact O-CB 3.29Å; L101-S104 WeakPolarHBondContact O-CB 3.45Å; L101-S104 PolarHBondContact O-N 2.83Å; Q102-S104 VanDerWaalsContact C-N 3.32Å; Q102-S104 PolarHBondContact O-N 3.41Å; S104-Y107 PolarHBondContact O-N 3.48Å; S104-R108 WeakPolarHBondContact O-CB 3.28Å; S104-R108 PolarHBondContact O-N 2.93Å
105D97.5Very high92.4Very high60 Ų6043.2 Ų43.232%0.32125%0.249SC..Hα-helixtrans-66.7-42.1178.8-71.4-26.7000111.2R51 L101 Q102 A103 Y107 R108 D109R51-D105 IonicContact NH2-OD1 3.72Å; R51-D105 PolarHBondContact NH2-OD1 3.47Å; L101-D105 PolarHBondContact O-N 2.85Å; Q102-D105 PolarHBondContact O-N 2.96Å; A103-D105 VanDerWaalsContact C-N 3.33Å; A103-D105 PolarHBondContact O-N 2.94Å; D105-Y107 PolarHBondContact O-N 3.4Å; D105-R108 VanDerWaalsContact CG-NH2 3.26Å; D105-R108 WeakPolarHBondContact O-CB 3.3Å; D105-R108 PolarHBondContact O-N 3.28Å; D105-R108 VanDerWaalsContact O-N 3.15Å; D105-R108 IonicContact OD1-CZ 3.7Å; D105-R108 IonicContact OD1-NH1 3.31Å; D105-R108 PolarHBondContact OD1-NH1 3.33Å; D105-R108 IonicContact OD1-NH2 2.67Å; D105-R108 PolarHBondContact OD1-NH2 3.48Å; D105-R108 IonicContact OD2-NH2 2.83Å; D105-D109 PolarHBondContact O-N 2.98Å
106R96Very high91.8Very high97 Ų9747.5 Ų47.537%0.36626%0.262SS..Hα-helixtrans-61-42.5174-68.6171177.7-167.3-1.5112.8Q102 A103 R108 D109 L110 T255 E258Q102-R106 WeakPolarHBondContact O-CG 3.46Å; Q102-R106 PolarHBondContact O-N 3.35Å; A103-R106 PolarHBondContact O-N 3.28Å; R106-R108 VanDerWaalsContact C-N 3.32Å; R106-R108 PolarHBondContact O-N 3.46Å; R106-D109 PolarHBondContact O-N 3.35Å; R106-L110 WeakPolarHBondContact O-CB 3.21Å; R106-L110 PolarHBondContact O-N 3.21Å; R106-T255 HydrophobicContact CB-CG2 4.14Å; R106-E258 IonicContact CZ-OE2 3.63Å; R106-E258 IonicContact NH1-OE2 3.72Å; R106-E258 PolarHBondContact NH1-OE2 3.1Å; R106-E258 IonicContact NH2-OE2 3Å; R106-E258 PolarHBondContact NH2-OE2 3.31Å
107Y96.7Very high91.1Very high3 Ų351.4 Ų51.41%0.01229%0.287CS..Hα-helixtrans-64-37.2174.7-71.1-44.5000112.6R46 E50 A103 S104 D105 A111 L252 T255 E256R46-Y107 HydrophobicContact CB-CD2 4.31Å; R46-Y107 HydrophobicContact CB-CG 4.43Å; R46-Y107 HydrophobicContact CG-CD1 4.41Å; R46-Y107 HydrophobicContact CG-CD2 3.62Å; R46-Y107 HydrophobicContact CG-CE1 4.36Å; R46-Y107 HydrophobicContact CG-CE2 3.52Å; R46-Y107 HydrophobicContact CG-CG 4.09Å; E50-Y107 HydrophobicContact CG-CD2 4.09Å; E50-Y107 HydrophobicContact CG-CE2 3.94Å; A103-Y107 HydrophobicContact CB-CE2 4.25Å; A103-Y107 WeakPolarHBondContact O-CD2 3.13Å; A103-Y107 PolarHBondContact O-N 3.16Å; S104-Y107 PolarHBondContact O-N 3.48Å; D105-Y107 PolarHBondContact O-N 3.4Å; Y107-A111 WeakPolarHBondContact O-CB 3.31Å; Y107-A111 PolarHBondContact O-N 3.32Å; Y107-L252 HydrophobicContact CD1-CD2 3.51Å; Y107-L252 HydrophobicContact CE1-CD2 3.41Å; Y107-L252 VanDerWaalsContact CE1-CD2 3.41Å; Y107-T255 HydrophobicContact CE1-CG2 3.93Å; Y107-T255 HydrophobicContact CE2-CG2 4.02Å; Y107-E256 WeakPolarHBondContact OH-CG 3.35Å; Y107-E256 PolarHBondContact OH-OE1 2.93Å
108R95.8Very high90.5Very high118 Ų11853.2 Ų53.245%0.44530%0.302SS..Hα-helixtrans-65.8-44.1175.2-180-174.663.7-146.4-10.8111.1A47 S104 D105 R106 L110 A111 G112A47-R108 HydrophobicContact CB-CB 4.24Å; S104-R108 WeakPolarHBondContact O-CB 3.28Å; S104-R108 PolarHBondContact O-N 2.93Å; D105-R108 VanDerWaalsContact CG-NH2 3.26Å; D105-R108 WeakPolarHBondContact O-CB 3.3Å; D105-R108 PolarHBondContact O-N 3.28Å; D105-R108 VanDerWaalsContact O-N 3.15Å; D105-R108 IonicContact OD1-CZ 3.7Å; D105-R108 IonicContact OD1-NH1 3.31Å; D105-R108 PolarHBondContact OD1-NH1 3.33Å; D105-R108 IonicContact OD1-NH2 2.67Å; D105-R108 PolarHBondContact OD1-NH2 3.48Å; D105-R108 IonicContact OD2-NH2 2.83Å; R106-R108 VanDerWaalsContact C-N 3.32Å; R106-R108 PolarHBondContact O-N 3.46Å; R108-L110 VanDerWaalsContact C-N 3.32Å; R108-L110 PolarHBondContact O-N 2.89Å; R108-A111 WeakPolarHBondContact O-CB 3.29Å; R108-A111 PolarHBondContact O-N 2.58Å; R108-G112 PolarHBondContact O-N 3.37Å
109D93.4Very high90Very high103 Ų10348.8 Ų48.855%0.55128%0.282SS*.Hα-helixtrans-64.1-41.3179.3-64.8-13.5000110.6D105 R106 A111 G112 G113D105-D109 PolarHBondContact O-N 2.98Å; R106-D109 PolarHBondContact O-N 3.35Å; D109-A111 PolarHBondContact O-N 3.47Å; D109-G112 WeakPolarHBondContact O-CA 3.38Å; D109-G112 PolarHBondContact O-N 2.8Å; D109-G113 PolarHBondContact O-N 2.88Å; D109-G113 VanDerWaalsContact O-N 3.11Å
110L91.1Very high89.4Confident20 Ų2052.5 Ų52.511%0.10530%0.298CS..Hα-helixtrans-61.1-42.4172.9-175.166.7000112.3R106 R108 G112 G113 T114 P248 L252R106-L110 WeakPolarHBondContact O-CB 3.21Å; R106-L110 PolarHBondContact O-N 3.21Å; R108-L110 VanDerWaalsContact C-N 3.32Å; R108-L110 PolarHBondContact O-N 2.89Å; L110-G112 PolarHBondContact O-N 3.48Å; L110-G113 CarbonylContact O-C 3.45Å; L110-G113 PolarHBondContact O-N 3.04Å; L110-G113 VanDerWaalsContact O-N 3.07Å; L110-T114 WeakPolarHBondContact O-CG2 3.44Å; L110-T114 PolarHBondContact O-N 2.99Å; L110-P248 HydrophobicContact CD1-CB 3.95Å; L110-P248 HydrophobicContact CD1-CG 4.49Å; L110-L252 HydrophobicContact CD2-CD1 4.43Å; L110-L252 HydrophobicContact CD2-CD2 3.5Å; L110-L252 HydrophobicContact CD2-CG 3.59Å
111A89.5Confident89Confident16 Ų1657.3 Ų57.313%0.13232%0.322CS..Hα-helixtrans-64.2-24.2175.100000112.9R40 K44 Y107 R108 D109R40-A111 HydrophobicContact CG-CB 4.42Å; R40-A111 WeakPolarHBondContact CG-O 3.42Å; K44-A111 HydrophobicContact CB-CB 4.15Å; Y107-A111 WeakPolarHBondContact O-CB 3.31Å; Y107-A111 PolarHBondContact O-N 3.32Å; R108-A111 WeakPolarHBondContact O-CB 3.29Å; R108-A111 PolarHBondContact O-N 2.58Å; D109-A111 PolarHBondContact O-N 3.47Å
112G83.9Confident88.5Confident73 Ų7356.1 Ų56.175%0.75332%0.316SS*.Hα-helixtrans-81.1-20.3172.700000114.2R108 D109 L110R108-G112 PolarHBondContact O-N 3.37Å; D109-G112 WeakPolarHBondContact O-CA 3.38Å; D109-G112 PolarHBondContact O-N 2.8Å; L110-G112 PolarHBondContact O-N 3.48Å
113G77.9Confident88Confident51 Ų5151.2 Ų51.253%0.52629%0.294SS..  trans-142.950.2-165.700000115.1D109 L110 G115D109-G113 PolarHBondContact O-N 2.88Å; D109-G113 VanDerWaalsContact O-N 3.11Å; L110-G113 CarbonylContact O-C 3.45Å; L110-G113 PolarHBondContact O-N 3.04Å; L110-G113 VanDerWaalsContact O-N 3.07Å; G113-G115 PolarHBondContact O-N 3.28Å
114T75.5Confident87.6Confident11 Ų1159.3 Ų59.37%0.06732%0.324CS..  trans-68.97.2-179.459.60000115.6R40 L110 R116R40-T114 HydrophobicContact CB-CG2 3.81Å; R40-T114 HydrophobicContact CG-CG2 4.05Å; L110-T114 WeakPolarHBondContact O-CG2 3.44Å; L110-T114 PolarHBondContact O-N 2.99Å; T114-R116 PolarHBondContact O-N 3.02Å
115G76Confident87.3Confident30 Ų3065.3 Ų65.331%0.30935%0.35SS..SBendtrans70.48.7-176.400000114.6G113 S117 A118 K119G113-G115 PolarHBondContact O-N 3.28Å; G115-S117 VanDerWaalsContact C-N 3.33Å; G115-S117 PolarHBondContact O-N 3.1Å; G115-A118 PolarHBondContact O-N 3.25Å; G115-A118 VanDerWaalsContact O-N 3.15Å; G115-K119 PolarHBondContact O-N 3.49Å
116R80.1Confident87Confident107 Ų10763.2 Ų63.240%0.40434%0.342SS..Hα-helixtrans-52-46.3-178.8179.7178173162.11113.3E37 T114 K119 E120E37-R116 IonicContact OE2-NH1 2.7Å; E37-R116 PolarHBondContact OE2-NH1 2.87Å; T114-R116 PolarHBondContact O-N 3.02Å; R116-K119 WeakPolarHBondContact O-CB 3.41Å; R116-K119 PolarHBondContact O-N 3.37Å; R116-E120 IonicContact CZ-OE1 3.86Å; R116-E120 IonicContact NE-OE1 3.1Å; R116-E120 PolarHBondContact NE-OE1 3.03Å; R116-E120 IonicContact NH2-OE1 3.75Å; R116-E120 WeakPolarHBondContact O-CG 3.48Å; R116-E120 PolarHBondContact O-N 3.38Å
117S82Confident86.8Confident89 Ų8960.1 Ų60.162%0.62233%0.334SS*.Hα-helixtrans-65.8-41.3-179.9179.20000112.5G115 K119 E120 Q121G115-S117 VanDerWaalsContact C-N 3.33Å; G115-S117 PolarHBondContact O-N 3.1Å; S117-K119 VanDerWaalsContact C-N 3.35Å; S117-E120 PolarHBondContact O-N 3.36Å; S117-Q121 PolarHBondContact O-N 3.47Å; S117-Q121 VanDerWaalsContact O-N 3.12Å
118A84.1Confident86.7Confident38 Ų3863.5 Ų63.531%0.31435%0.35SS..Hα-helixtrans-63.2-43.2175.500000111G115 E120 Q121 V122G115-A118 PolarHBondContact O-N 3.25Å; G115-A118 VanDerWaalsContact O-N 3.15Å; A118-E120 PolarHBondContact O-N 2.95Å; A118-Q121 WeakPolarHBondContact O-CB 3.44Å; A118-Q121 PolarHBondContact O-N 3.39Å; A118-V122 WeakPolarHBondContact O-CG2 3.34Å; A118-V122 PolarHBondContact O-N 3.05Å
119K84.9Confident86.6Confident4 Ų460.3 Ų60.32%0.01734%0.342CS..Hα-helixtrans-59.2-47.8174.8-175.7-178.3174.6153.30112.6E32 L36 G115 R116 S117 Q121 V122 L123 L241E32-K119 PolarHBondContact O-NZ 3.49Å; E32-K119 VanDerWaalsContact O-NZ 3.11Å; E32-K119 WeakPolarHBondContact OE2-CE 3.41Å; E32-K119 IonicContact OE2-NZ 3.96Å; E32-K119 PolarHBondContact OE2-NZ 3.03Å; L36-K119 HydrophobicContact CD1-CD 3.42Å; L36-K119 VanDerWaalsContact CD1-CD 3.42Å; G115-K119 PolarHBondContact O-N 3.49Å; R116-K119 WeakPolarHBondContact O-CB 3.41Å; R116-K119 PolarHBondContact O-N 3.37Å; S117-K119 VanDerWaalsContact C-N 3.35Å; K119-Q121 PolarHBondContact O-N 3.44Å; K119-V122 PolarHBondContact O-N 2.66Å; K119-L123 HydrophobicContact CD-CD1 4.37Å; K119-L123 HydrophobicContact CG-CD1 3.77Å; K119-L123 WeakPolarHBondContact O-CD1 3.41Å; K119-L123 WeakPolarHBondContact O-CG 3.22Å; K119-L123 PolarHBondContact O-N 2.91Å; K119-L241 HydrophobicContact CD-CD2 4.14Å; K119-L241 HydrophobicContact CG-CD2 3.47Å; K119-L241 VanDerWaalsContact CG-CD2 3.47Å
120E85.1Confident86.7Confident93 Ų9355.7 Ų55.744%0.43532%0.317SS..Hα-helixtrans-57.6-38.3177.2-76.6171.2-173.200111.5R116 S117 A118 R124R116-E120 IonicContact CZ-OE1 3.86Å; R116-E120 IonicContact NE-OE1 3.1Å; R116-E120 PolarHBondContact NE-OE1 3.03Å; R116-E120 IonicContact NH2-OE1 3.75Å; R116-E120 WeakPolarHBondContact O-CG 3.48Å; R116-E120 PolarHBondContact O-N 3.38Å; S117-E120 PolarHBondContact O-N 3.36Å; A118-E120 PolarHBondContact O-N 2.95Å; E120-R124 WeakPolarHBondContact O-CB 3.33Å; E120-R124 PolarHBondContact O-N 2.97Å
121Q88.1Confident86.9Confident143 Ų14359.4 Ų59.467%0.66833%0.334SS*.Hα-helixtrans-65.9-45.9175.4-175.4179.3-300112.6S117 A118 K119 L123 R124 K125S117-Q121 PolarHBondContact O-N 3.47Å; S117-Q121 VanDerWaalsContact O-N 3.12Å; A118-Q121 WeakPolarHBondContact O-CB 3.44Å; A118-Q121 PolarHBondContact O-N 3.39Å; K119-Q121 PolarHBondContact O-N 3.44Å; Q121-L123 VanDerWaalsContact C-N 3.33Å; Q121-L123 PolarHBondContact O-N 2.94Å; Q121-R124 PolarHBondContact O-N 3.45Å; Q121-K125 WeakPolarHBondContact O-CB 3.36Å; Q121-K125 PolarHBondContact O-N 3.16Å
122V88.6Confident87.3Confident12 Ų1264.8 Ų64.87%0.07335%0.351CS..Hα-helixtrans-58.8-45.5176.4169.80000110.9A118 K119 R124 K125 G126 L237 E240 L241A118-V122 WeakPolarHBondContact O-CG2 3.34Å; A118-V122 PolarHBondContact O-N 3.05Å; K119-V122 PolarHBondContact O-N 2.66Å; V122-R124 PolarHBondContact O-N 3.16Å; V122-K125 PolarHBondContact O-N 3.39Å; V122-G126 PolarHBondContact O-N 3.1Å; V122-L237 HydrophobicContact CG1-CD1 4.05Å; V122-E240 HydrophobicContact CG1-CB 3.93Å; V122-E240 HydrophobicContact CG1-CG 3.79Å; V122-E240 HydrophobicContact CG2-CG 3.85Å; V122-L241 HydrophobicContact CG1-CD2 4.28Å; V122-L241 HydrophobicContact CG1-CG 4.33Å
123L86.5Confident87.9Confident4 Ų461.8 Ų61.82%0.02132%0.319CS..Hα-helixtrans-62.6-43.8178.9-75.6157.4000112.8Q29 K119 Q121 G126 T127 L237 L241Q29-L123 HydrophobicContact CB-CD2 3.99Å; Q29-L123 HydrophobicContact CG-CD1 3.61Å; Q29-L123 HydrophobicContact CG-CD2 3.87Å; Q29-L123 HydrophobicContact CG-CG 4.27Å; K119-L123 HydrophobicContact CD-CD1 4.37Å; K119-L123 HydrophobicContact CG-CD1 3.77Å; K119-L123 WeakPolarHBondContact O-CD1 3.41Å; K119-L123 WeakPolarHBondContact O-CG 3.22Å; K119-L123 PolarHBondContact O-N 2.91Å; Q121-L123 VanDerWaalsContact C-N 3.33Å; Q121-L123 PolarHBondContact O-N 2.94Å; L123-G126 PolarHBondContact O-N 2.64Å; L123-T127 WeakPolarHBondContact O-CB 3.45Å; L123-T127 PolarHBondContact O-N 2.91Å; L123-T127 PolarHBondContact O-OG1 2.93Å; L123-L237 HydrophobicContact CD2-CD1 4.38Å; L123-L241 HydrophobicContact CD1-CD2 4.11Å; L123-L241 HydrophobicContact CD2-CD1 3.65Å; L123-L241 HydrophobicContact CD2-CD2 3.96Å; L123-L241 HydrophobicContact CD2-CG 4.36Å; L123-L241 HydrophobicContact CG-CD1 4.38Å; L123-L241 HydrophobicContact CG-CD2 3.75Å
124R89.5Confident88.8Confident173 Ų17359.8 Ų59.865%0.65330%0.296SS*.Hα-helixtrans-60.9-49.2177.5-172.8-172.8137.5153.9-2.5110.2E120 Q121 V122 G126 T127 E128E120-R124 WeakPolarHBondContact O-CB 3.33Å; E120-R124 PolarHBondContact O-N 2.97Å; Q121-R124 PolarHBondContact O-N 3.45Å; V122-R124 PolarHBondContact O-N 3.16Å; R124-G126 PolarHBondContact O-N 3.02Å; R124-T127 PolarHBondContact O-N 3.31Å; R124-E128 IonicContact CZ-OE1 2.53Å; R124-E128 IonicContact NE-OE1 3.83Å; R124-E128 PolarHBondContact NE-OE1 3.43Å; R124-E128 IonicContact NH2-OE1 3.58Å; R124-E128 PolarHBondContact NH2-OE1 3.02Å; R124-E128 VanDerWaalsContact NH2-OE1 3.11Å; R124-E128 VanDerWaalsContact O-CG 3.3Å; R124-E128 WeakPolarHBondContact O-CG 3.31Å; R124-E128 PolarHBondContact O-N 2.86Å
125K91.6Very high89.8Confident126 Ų12662 Ų6255%0.54832%0.315SS..Hα-helixtrans-62.6-43.1178.7-171.6-178.4178.3-171.50112.5Q121 V122 E128 N129Q121-K125 WeakPolarHBondContact O-CB 3.36Å; Q121-K125 PolarHBondContact O-N 3.16Å; V122-K125 PolarHBondContact O-N 3.39Å; K125-E128 PolarHBondContact O-N 2.7Å; K125-N129 VanDerWaalsContact O-CG 3.28Å; K125-N129 PolarHBondContact O-N 3.26Å; K125-N129 PolarHBondContact O-ND2 2.87Å
126G91.2Very high90.8Very high16 Ų1665.3 Ų65.317%0.16532%0.322CS..Hα-helixtrans-62.1-42.6176.800000112.6V122 L123 R124 N129 L130V122-G126 PolarHBondContact O-N 3.1Å; L123-G126 PolarHBondContact O-N 2.64Å; R124-G126 PolarHBondContact O-N 3.02Å; G126-N129 PolarHBondContact O-N 3.06Å; G126-L130 PolarHBondContact O-N 3.47Å
127T91.7Very high91.6Very high32 Ų3260.2 Ų60.220%0.19630%0.303CS..Hα-helixtrans-66.2-43.6177.3-58.60000111.7L22 L123 R124 N129 L130 Q131L22-T127 HydrophobicContact CD2-CG2 4.19Å; L123-T127 WeakPolarHBondContact O-CB 3.45Å; L123-T127 PolarHBondContact O-N 2.91Å; L123-T127 PolarHBondContact O-OG1 2.93Å; R124-T127 PolarHBondContact O-N 3.31Å; T127-N129 VanDerWaalsContact C-N 3.31Å; T127-N129 PolarHBondContact O-N 2.9Å; T127-L130 PolarHBondContact O-N 3.46Å; T127-Q131 HydrophobicContact CG2-CG 4.4Å; T127-Q131 WeakPolarHBondContact O-CB 3.43Å; T127-Q131 VanDerWaalsContact O-CG 3.31Å; T127-Q131 WeakPolarHBondContact O-CG 3.47Å; T127-Q131 PolarHBondContact O-N 3.25Å
128E94Very high92.3Very high74 Ų7456.9 Ų56.935%0.34628%0.279SS..Hα-helixtrans-58.8-41.8175-74.6171.8-172.200111.6R124 K125 R132R124-E128 IonicContact CZ-OE1 2.53Å; R124-E128 IonicContact NE-OE1 3.83Å; R124-E128 PolarHBondContact NE-OE1 3.43Å; R124-E128 IonicContact NH2-OE1 3.58Å; R124-E128 PolarHBondContact NH2-OE1 3.02Å; R124-E128 VanDerWaalsContact NH2-OE1 3.11Å; R124-E128 VanDerWaalsContact O-CG 3.3Å; R124-E128 WeakPolarHBondContact O-CG 3.31Å; R124-E128 PolarHBondContact O-N 2.86Å; K125-E128 PolarHBondContact O-N 2.7Å; E128-R132 PolarHBondContact O-N 3.31Å; E128-R132 VanDerWaalsContact O-N 3.08Å
129N94.4Very high92.9Very high52 Ų5258.5 Ų58.528%0.27828%0.28SS..Hα-helixtrans-67-44.1177-71.3-20.3000112.5K125 G126 T127 R132 A133 L233K125-N129 VanDerWaalsContact O-CG 3.28Å; K125-N129 PolarHBondContact O-N 3.26Å; K125-N129 PolarHBondContact O-ND2 2.87Å; G126-N129 PolarHBondContact O-N 3.06Å; T127-N129 VanDerWaalsContact C-N 3.31Å; T127-N129 PolarHBondContact O-N 2.9Å; N129-R132 WeakPolarHBondContact O-CB 3.34Å; N129-R132 PolarHBondContact O-N 2.88Å; N129-R132 PolarHBondContact OD1-NH1 2.68Å; N129-A133 PolarHBondContact O-N 3.21Å; N129-A133 VanDerWaalsContact O-N 3.16Å; N129-L233 HydrophobicContact CB-CD2 4.08Å
130L95.3Very high93.5Very high6 Ų659.4 Ų59.43%0.03129%0.286CS..Hα-helixtrans-61.8-44.4176.5178.260.3000111.8L22 L25 G126 T127 R132 A133 Q134 L230 L233L22-L130 HydrophobicContact CD2-CD2 3.89Å; L22-L130 HydrophobicContact CD2-CG 4.39Å; L25-L130 HydrophobicContact CD2-CD2 3.99Å; G126-L130 PolarHBondContact O-N 3.47Å; T127-L130 PolarHBondContact O-N 3.46Å; L130-R132 VanDerWaalsContact C-N 3.27Å; L130-R132 PolarHBondContact O-N 3.44Å; L130-A133 PolarHBondContact O-N 2.99Å; L130-Q134 HydrophobicContact CD1-CG 4.26Å; L130-Q134 HydrophobicContact CG-CG 4.49Å; L130-Q134 WeakPolarHBondContact O-CB 3.42Å; L130-Q134 VanDerWaalsContact O-CG 3.3Å; L130-Q134 WeakPolarHBondContact O-CG 3.42Å; L130-Q134 PolarHBondContact O-N 3.17Å; L130-L230 HydrophobicContact CD1-CD1 3.71Å; L130-L233 HydrophobicContact CD1-CD1 4.33Å
131Q95.4Very high94Very high97 Ų9755.2 Ų55.245%0.45327%0.267SS..Hα-helixtrans-63.5-33.6177.5-74.8178.8-21.800112.4L22 T127 A135L22-Q131 HydrophobicContact CD1-CG 4.07Å; L22-Q131 HydrophobicContact CD2-CG 4Å; T127-Q131 HydrophobicContact CG2-CG 4.4Å; T127-Q131 WeakPolarHBondContact O-CB 3.43Å; T127-Q131 VanDerWaalsContact O-CG 3.31Å; T127-Q131 WeakPolarHBondContact O-CG 3.47Å; T127-Q131 PolarHBondContact O-N 3.25Å; Q131-A135 WeakPolarHBondContact O-CB 3.47Å; Q131-A135 PolarHBondContact O-N 2.74Å
132R97.1Very high94.4Very high130 Ų13054.1 Ų54.149%0.49126%0.257SS..Hα-helixtrans-63.7-52.8175-168.1-176.7-57.9113.56.6111.3E128 N129 L130 Q134 A135 E136E128-R132 PolarHBondContact O-N 3.31Å; E128-R132 VanDerWaalsContact O-N 3.08Å; N129-R132 WeakPolarHBondContact O-CB 3.34Å; N129-R132 PolarHBondContact O-N 2.88Å; N129-R132 PolarHBondContact OD1-NH1 2.68Å; L130-R132 VanDerWaalsContact C-N 3.27Å; L130-R132 PolarHBondContact O-N 3.44Å; R132-Q134 VanDerWaalsContact C-N 3.35Å; R132-Q134 PolarHBondContact O-N 3.28Å; R132-A135 WeakPolarHBondContact O-CB 3.44Å; R132-A135 PolarHBondContact O-N 2.93Å; R132-A135 VanDerWaalsContact O-N 3.09Å; R132-E136 PolarHBondContact O-N 3.46Å; R132-E136 VanDerWaalsContact O-N 3.12Å
133A96.7Very high94.7Very high9 Ų957.1 Ų57.17%0.07427%0.27CS..Hα-helixtrans-58.8-45.217700000111.8N129 L130 A135 E136 V137 Y225 L233N129-A133 PolarHBondContact O-N 3.21Å; N129-A133 VanDerWaalsContact O-N 3.16Å; L130-A133 PolarHBondContact O-N 2.99Å; A133-A135 VanDerWaalsContact C-N 3.29Å; A133-A135 PolarHBondContact O-N 3.35Å; A133-E136 PolarHBondContact O-N 3.27Å; A133-V137 WeakPolarHBondContact O-CG2 3.45Å; A133-V137 PolarHBondContact O-N 2.88Å; A133-Y225 HydrophobicContact CB-CE2 4.38Å; A133-L233 HydrophobicContact CB-CD1 4.02Å
134Q96.9Very high95.2Very high10 Ų1058.1 Ų58.15%0.04728%0.275CS..Hα-helixtrans-60.5-36175.5-74.7178.1-10.900113F18 L130 R132 L138 Y225F18-Q134 HydrophobicContact CB-CG 4.27Å; F18-Q134 HydrophobicContact CD1-CG 3.98Å; F18-Q134 HydrophobicContact CD2-CB 3.66Å; F18-Q134 HydrophobicContact CD2-CG 3.89Å; F18-Q134 HydrophobicContact CE1-CG 4.24Å; F18-Q134 HydrophobicContact CE2-CB 3.88Å; F18-Q134 HydrophobicContact CE2-CG 4.14Å; F18-Q134 VanDerWaalsContact CE2-O 3.26Å; F18-Q134 WeakPolarHBondContact CE2-O 3.19Å; F18-Q134 HydrophobicContact CG-CB 4.08Å; F18-Q134 HydrophobicContact CG-CG 3.8Å; F18-Q134 HydrophobicContact CZ-CB 4.46Å; F18-Q134 HydrophobicContact CZ-CG 4.3Å; L130-Q134 HydrophobicContact CD1-CG 4.26Å; L130-Q134 HydrophobicContact CG-CG 4.49Å; L130-Q134 WeakPolarHBondContact O-CB 3.42Å; L130-Q134 VanDerWaalsContact O-CG 3.3Å; L130-Q134 WeakPolarHBondContact O-CG 3.42Å; L130-Q134 PolarHBondContact O-N 3.17Å; R132-Q134 VanDerWaalsContact C-N 3.35Å; R132-Q134 PolarHBondContact O-N 3.28Å; Q134-L138 VanDerWaalsContact O-CB 3.27Å; Q134-L138 WeakPolarHBondContact O-CB 3.45Å; Q134-L138 PolarHBondContact O-N 3.46Å; Q134-Y225 HydrophobicContact CG-CE2 4.08Å; Q134-Y225 VanDerWaalsContact CG-OH 3.31Å; Q134-Y225 WeakPolarHBondContact CG-OH 3.17Å; Q134-Y225 PolarHBondContact NE2-OH 2.92Å
135A96.7Very high95.4Very high57 Ų5751.2 Ų51.247%0.47125%0.254SS..Hα-helixtrans-67.9-38.3177.400000112.1Q131 R132 A133 L138 Q139Q131-A135 WeakPolarHBondContact O-CB 3.47Å; Q131-A135 PolarHBondContact O-N 2.74Å; R132-A135 WeakPolarHBondContact O-CB 3.44Å; R132-A135 PolarHBondContact O-N 2.93Å; R132-A135 VanDerWaalsContact O-N 3.09Å; A133-A135 VanDerWaalsContact C-N 3.29Å; A133-A135 PolarHBondContact O-N 3.35Å; A135-L138 PolarHBondContact O-N 2.95Å; A135-Q139 PolarHBondContact O-N 3.38Å
136E97.4Very high95.6Very high99 Ų9952.3 Ų52.346%0.46325%0.254SS..Hα-helixtrans-65.6-47.2176.8-68.5171.6-161.500111.2R132 A133 L138 Q139 S140R132-E136 PolarHBondContact O-N 3.46Å; R132-E136 VanDerWaalsContact O-N 3.12Å; A133-E136 PolarHBondContact O-N 3.27Å; E136-L138 VanDerWaalsContact C-N 3.32Å; E136-L138 PolarHBondContact O-N 2.9Å; E136-Q139 WeakPolarHBondContact O-CB 3.31Å; E136-Q139 PolarHBondContact O-N 3.04Å; E136-Q139 VanDerWaalsContact O-N 3.1Å; E136-S140 PolarHBondContact O-N 2.53Å
137V97.1Very high95.8Very high1 Ų152.1 Ų52.11%0.00625%0.25CS..Hα-helixtrans-59.6-44.2174.2176.50000111.1F18 A133 Q139 S140 V141 H221 L222 Y225F18-V137 HydrophobicContact CE2-CB 4.27Å; F18-V137 HydrophobicContact CE2-CG1 4.3Å; F18-V137 HydrophobicContact CZ-CB 4.06Å; F18-V137 HydrophobicContact CZ-CG1 3.81Å; A133-V137 WeakPolarHBondContact O-CG2 3.45Å; A133-V137 PolarHBondContact O-N 2.88Å; V137-Q139 PolarHBondContact O-N 3.36Å; V137-S140 PolarHBondContact O-N 2.77Å; V137-V141 WeakPolarHBondContact O-CG2 3.36Å; V137-V141 PolarHBondContact O-N 3.26Å; V137-V141 VanDerWaalsContact O-N 3.11Å; V137-H221 WeakPolarHBondContact CG2-NE2 3.38Å; V137-H221 PolarHBondContact N-CE1 3.39Å; V137-L222 HydrophobicContact CG1-CD2 3.49Å; V137-L222 VanDerWaalsContact CG1-CD2 3.49Å; V137-L222 HydrophobicContact CG1-CG 4.19Å; V137-Y225 HydrophobicContact CG2-CD2 3.84Å; V137-Y225 HydrophobicContact CG2-CG 3.81Å
138L96.7Very high96Very high19 Ų1957.4 Ų57.410%0.09927%0.267CS..Hα-helixtrans-62.9-32178.7-172.862.8000111.9A11 V14 K15 F18 Q134 A135 E136 V141 R142A11-L138 HydrophobicContact CB-CD1 4.39Å; A11-L138 WeakPolarHBondContact O-CD1 3.16Å; V14-L138 HydrophobicContact CG1-CD1 4.41Å; K15-L138 HydrophobicContact CB-CD1 4.33Å; F18-L138 HydrophobicContact CE2-CB 4.45Å; Q134-L138 VanDerWaalsContact O-CB 3.27Å; Q134-L138 WeakPolarHBondContact O-CB 3.45Å; Q134-L138 PolarHBondContact O-N 3.46Å; A135-L138 PolarHBondContact O-N 2.95Å; E136-L138 VanDerWaalsContact C-N 3.32Å; E136-L138 PolarHBondContact O-N 2.9Å; L138-V141 PolarHBondContact O-N 3.45Å; L138-R142 VanDerWaalsContact CD2-NH2 3.34Å; L138-R142 VanDerWaalsContact O-CG 3.25Å; L138-R142 WeakPolarHBondContact O-CG 3.36Å; L138-R142 PolarHBondContact O-N 3.2Å
139Q96.8Very high96Very high72 Ų7260 Ų6034%0.33628%0.277SS..Hα-helixtrans-66.1-44.2175.2-177.658.623.300111.7A135 E136 V137 V141 R142 E143A135-Q139 PolarHBondContact O-N 3.38Å; E136-Q139 WeakPolarHBondContact O-CB 3.31Å; E136-Q139 PolarHBondContact O-N 3.04Å; E136-Q139 VanDerWaalsContact O-N 3.1Å; V137-Q139 PolarHBondContact O-N 3.36Å; Q139-V141 VanDerWaalsContact C-N 3.34Å; Q139-V141 PolarHBondContact O-N 3.07Å; Q139-R142 WeakPolarHBondContact O-CB 3.19Å; Q139-R142 PolarHBondContact O-N 3.27Å; Q139-R142 VanDerWaalsContact O-N 3.14Å; Q139-E143 PolarHBondContact NE2-OE1 3.45Å; Q139-E143 PolarHBondContact O-N 2.97Å
140S96.5Very high96.1Very high22 Ų2260.8 Ų60.815%0.15428%0.28CS..Hα-helixtrans-59.8-42.1173.8-57.30000112.2E136 V137 R142 E143 L144 T218 H221E136-S140 PolarHBondContact O-N 2.53Å; V137-S140 PolarHBondContact O-N 2.77Å; S140-R142 VanDerWaalsContact C-N 3.3Å; S140-R142 PolarHBondContact O-N 3.36Å; S140-E143 WeakPolarHBondContact O-CB 3.5Å; S140-E143 PolarHBondContact O-N 3.2Å; S140-E143 VanDerWaalsContact O-N 3.16Å; S140-L144 PolarHBondContact O-N 2.88Å; S140-T218 PolarHBondContact O-OG1 3.27Å; S140-H221 PolarHBondContact OG-ND1 3.18Å
141V96.4Very high96.2Very high5 Ų563.2 Ų63.23%0.0329%0.29CS..Hα-helixtrans-66.2-32.2177.1-178.90000112.3P10 A11 V14 V137 L138 Q139 S145 T218 L222P10-V141 HydrophobicContact CB-CG1 4.49Å; A11-V141 HydrophobicContact CB-CG1 3.9Å; V14-V141 HydrophobicContact CG2-CG1 4.48Å; V14-V141 HydrophobicContact CG2-CG2 4.35Å; V137-V141 WeakPolarHBondContact O-CG2 3.36Å; V137-V141 PolarHBondContact O-N 3.26Å; V137-V141 VanDerWaalsContact O-N 3.11Å; L138-V141 PolarHBondContact O-N 3.45Å; Q139-V141 VanDerWaalsContact C-N 3.34Å; Q139-V141 PolarHBondContact O-N 3.07Å; V141-S145 WeakPolarHBondContact O-CB 3.4Å; V141-S145 PolarHBondContact O-N 3.08Å; V141-S145 PolarHBondContact O-OG 3.22Å; V141-T218 HydrophobicContact CG2-CG2 3.84Å; V141-L222 HydrophobicContact CG2-CD1 4.4Å
142R95.4Very high96.2Very high120 Ų12059.5 Ų59.545%0.45328%0.277SS..Hα-helixtrans-68.9-38.6172.9-72.8167.2-177.2172.42.2111.6L138 Q139 S140 S145 R146L138-R142 VanDerWaalsContact CD2-NH2 3.34Å; L138-R142 VanDerWaalsContact O-CG 3.25Å; L138-R142 WeakPolarHBondContact O-CG 3.36Å; L138-R142 PolarHBondContact O-N 3.2Å; Q139-R142 WeakPolarHBondContact O-CB 3.19Å; Q139-R142 PolarHBondContact O-N 3.27Å; Q139-R142 VanDerWaalsContact O-N 3.14Å; S140-R142 VanDerWaalsContact C-N 3.3Å; S140-R142 PolarHBondContact O-N 3.36Å; R142-S145 WeakPolarHBondContact O-CB 3.41Å; R142-S145 PolarHBondContact O-N 2.91Å; R142-R146 WeakPolarHBondContact O-CG 3.27Å; R142-R146 PolarHBondContact O-N 3.27Å
143E95.4Very high96.1Very high76 Ų7658.2 Ų58.236%0.35528%0.277SS..Hα-helixtrans-62.1-47.4173.8-78.5162.6-164.300111.9Q139 S140 S145 R146 S147 T214Q139-E143 PolarHBondContact NE2-OE1 3.45Å; Q139-E143 PolarHBondContact O-N 2.97Å; S140-E143 WeakPolarHBondContact O-CB 3.5Å; S140-E143 PolarHBondContact O-N 3.2Å; S140-E143 VanDerWaalsContact O-N 3.16Å; E143-S145 VanDerWaalsContact C-N 3.25Å; E143-S145 PolarHBondContact O-N 2.83Å; E143-R146 WeakPolarHBondContact O-CA 3.45Å; E143-R146 WeakPolarHBondContact O-CB 3.36Å; E143-R146 PolarHBondContact O-N 3.34Å; E143-R146 IonicContact OE1-NH2 3.31Å; E143-R146 PolarHBondContact OE1-NH2 2.75Å; E143-S147 PolarHBondContact O-N 3.45Å; E143-S147 PolarHBondContact O-OG 3.02Å; E143-T214 HydrophobicContact CB-CG2 4.12Å
144L96.3Very high96Very high25 Ų2562.2 Ų62.213%0.13129%0.29CS..Hα-helixtrans-56.1-41.9172.9-178.460.3000112.3S140 R146 S147 R148 Y211 T214 L215 T218S140-L144 PolarHBondContact O-N 2.88Å; L144-R146 VanDerWaalsContact C-N 3.28Å; L144-R146 PolarHBondContact O-N 2.95Å; L144-S147 PolarHBondContact O-N 3.3Å; L144-S147 PolarHBondContact O-OG 3.35Å; L144-R148 VanDerWaalsContact O-CB 3.28Å; L144-R148 WeakPolarHBondContact O-CB 3.41Å; L144-R148 PolarHBondContact O-N 2.98Å; L144-Y211 HydrophobicContact CD1-CD2 3.82Å; L144-Y211 HydrophobicContact CD1-CE2 3.46Å; L144-Y211 VanDerWaalsContact CD1-CE2 3.46Å; L144-Y211 HydrophobicContact CG-CE2 4.37Å; L144-T214 HydrophobicContact CB-CG2 4.15Å; L144-T214 HydrophobicContact CD1-CG2 4.37Å; L144-L215 HydrophobicContact CD1-CB 3.83Å; L144-L215 HydrophobicContact CD1-CD1 3.98Å; L144-L215 HydrophobicContact CD2-CD1 3.9Å; L144-T218 HydrophobicContact CB-CG2 4.36Å; L144-T218 HydrophobicContact CD2-CG2 4.04Å
145S94.9Very high96Very high28 Ų2866 Ų6620%0.19631%0.308CS..Hα-helixtrans-65.7-30.5177-62.60000112.6V141 R142 E143 K149V141-S145 WeakPolarHBondContact O-CB 3.4Å; V141-S145 PolarHBondContact O-N 3.08Å; V141-S145 PolarHBondContact O-OG 3.22Å; R142-S145 WeakPolarHBondContact O-CB 3.41Å; R142-S145 PolarHBondContact O-N 2.91Å; E143-S145 VanDerWaalsContact C-N 3.25Å; E143-S145 PolarHBondContact O-N 2.83Å; S145-K149 WeakPolarHBondContact O-CD 3.34Å; S145-K149 VanDerWaalsContact O-CG 3.24Å; S145-K149 WeakPolarHBondContact O-CG 3.47Å; S145-K149 PolarHBondContact O-N 3.42Å
146R95.1Very high95.9Very high148 Ų14870.7 Ų70.756%0.55831%0.313SS*.Hα-helixtrans-74.1-48.6175.3-73.1-174.1-75.8172.3-4.2111.1R142 E143 L144 R148 K149 L150R142-R146 WeakPolarHBondContact O-CG 3.27Å; R142-R146 PolarHBondContact O-N 3.27Å; E143-R146 WeakPolarHBondContact O-CA 3.45Å; E143-R146 WeakPolarHBondContact O-CB 3.36Å; E143-R146 PolarHBondContact O-N 3.34Å; E143-R146 IonicContact OE1-NH2 3.31Å; E143-R146 PolarHBondContact OE1-NH2 2.75Å; L144-R146 VanDerWaalsContact C-N 3.28Å; L144-R146 PolarHBondContact O-N 2.95Å; R146-R148 PolarHBondContact O-N 3.48Å; R146-K149 PolarHBondContact O-N 2.81Å; R146-L150 PolarHBondContact O-N 3.43Å
147S96.2Very high95.8Very high12 Ų1268.8 Ų68.88%0.08431%0.309CS..Hα-helixtrans-64.4-39.618060.50000112E143 L144 K149 L150 Y151 T214E143-S147 PolarHBondContact O-N 3.45Å; E143-S147 PolarHBondContact O-OG 3.02Å; L144-S147 PolarHBondContact O-N 3.3Å; L144-S147 PolarHBondContact O-OG 3.35Å; S147-K149 PolarHBondContact O-N 3.46Å; S147-L150 PolarHBondContact O-N 2.83Å; S147-Y151 PolarHBondContact O-N 2.89Å; S147-T214 PolarHBondContact OG-OG1 3.3Å
148R95.8Very high95.6Very high144 Ų14472.3 Ų72.354%0.54332%0.322SS..Hα-helixtrans-58.4-43.8172.5-175178.6172.8-178.31.8113L144 R146 Y151 G152 Y211L144-R148 VanDerWaalsContact O-CB 3.28Å; L144-R148 WeakPolarHBondContact O-CB 3.41Å; L144-R148 PolarHBondContact O-N 2.98Å; R146-R148 PolarHBondContact O-N 3.48Å; R148-Y151 PolarHBondContact O-N 3.06Å; R148-G152 PolarHBondContact O-N 3.3Å; R148-Y211 HydrophobicContact CB-CD2 3.91Å; R148-Y211 HydrophobicContact CB-CE2 3.59Å; R148-Y211 HydrophobicContact CG-CE2 4.04Å
149K94.4Very high95.5Very high127 Ų12773.7 Ų73.755%0.55234%0.336SS*.Hα-helixtrans-64.3-42.5178-77.2173.1-173.4177.30111.2S145 R146 S147 G152 Q153S145-K149 WeakPolarHBondContact O-CD 3.34Å; S145-K149 VanDerWaalsContact O-CG 3.24Å; S145-K149 WeakPolarHBondContact O-CG 3.47Å; S145-K149 PolarHBondContact O-N 3.42Å; R146-K149 PolarHBondContact O-N 2.81Å; S147-K149 PolarHBondContact O-N 3.46Å; K149-G152 PolarHBondContact O-N 3.08Å; K149-Q153 VanDerWaalsContact O-CG 3.31Å; K149-Q153 WeakPolarHBondContact O-CG 3.33Å; K149-Q153 PolarHBondContact O-N 3.03Å
150L95.5Very high95.3Very high69 Ų6974.8 Ų74.836%0.36134%0.343SS..Hα-helixtrans-63-46.1177.9-177.862.8000111R146 S147 G152 Q153 R154 A207R146-L150 PolarHBondContact O-N 3.43Å; S147-L150 PolarHBondContact O-N 2.83Å; L150-G152 PolarHBondContact O-N 3.44Å; L150-Q153 WeakPolarHBondContact O-CB 3.41Å; L150-Q153 PolarHBondContact O-N 3.18Å; L150-Q153 VanDerWaalsContact O-N 3.16Å; L150-R154 HydrophobicContact CD1-CG 4.49Å; L150-R154 WeakPolarHBondContact O-CG 3.48Å; L150-R154 PolarHBondContact O-N 3.39Å; L150-A207 HydrophobicContact CG-CB 4.41Å
151Y97.1Very high95Very high57 Ų5774.3 Ų74.322%0.22434%0.341CS..Hα-helixtrans-54.9-52.5174.4170.3-107.5000111.8S147 R148 Q153 R154 E155 L204 R208 Y211S147-Y151 PolarHBondContact O-N 2.89Å; R148-Y151 PolarHBondContact O-N 3.06Å; Y151-Q153 VanDerWaalsContact C-N 3.26Å; Y151-Q153 PolarHBondContact O-N 3.28Å; Y151-R154 PolarHBondContact O-N 2.81Å; Y151-R154 VanDerWaalsContact O-N 3.11Å; Y151-E155 WeakPolarHBondContact O-CB 3.5Å; Y151-E155 PolarHBondContact O-N 3.14Å; Y151-L204 HydrophobicContact CD2-CD1 3.79Å; Y151-L204 HydrophobicContact CE2-CD1 3.56Å; Y151-L204 HydrophobicContact CE2-CG 4.49Å; Y151-R208 HydrophobicContact CD2-CB 3.74Å; Y151-R208 HydrophobicContact CD2-CG 4.25Å; Y151-R208 HydrophobicContact CE2-CB 3.65Å; Y151-R208 HydrophobicContact CE2-CG 3.83Å; Y151-Y211 HydrophobicContact CD1-CD1 4.43Å
152G95.1Very high94.8Very high19 Ų1977.9 Ų77.920%0.19636%0.357CS..Hα-helixtrans-67.2-21178.600000114.7R148 K149 L150 R156R148-G152 PolarHBondContact O-N 3.3Å; K149-G152 PolarHBondContact O-N 3.08Å; L150-G152 PolarHBondContact O-N 3.44Å; G152-R156 WeakPolarHBondContact O-CG 3.42Å; G152-R156 PolarHBondContact O-NE 3.45Å
153Q95.8Very high94.6Very high103 Ų10378.5 Ų78.548%0.48137%0.365SS..Hα-helixtrans-73.2-46.6168.6-75.6173.78.100111.1K149 L150 Y151 E155 R156 V157K149-Q153 VanDerWaalsContact O-CG 3.31Å; K149-Q153 WeakPolarHBondContact O-CG 3.33Å; K149-Q153 PolarHBondContact O-N 3.03Å; L150-Q153 WeakPolarHBondContact O-CB 3.41Å; L150-Q153 PolarHBondContact O-N 3.18Å; L150-Q153 VanDerWaalsContact O-N 3.16Å; Y151-Q153 VanDerWaalsContact C-N 3.26Å; Y151-Q153 PolarHBondContact O-N 3.28Å; Q153-E155 VanDerWaalsContact C-N 3.32Å; Q153-E155 PolarHBondContact O-N 2.96Å; Q153-R156 PolarHBondContact O-N 3.07Å; Q153-V157 WeakPolarHBondContact O-CG2 3.21Å; Q153-V157 PolarHBondContact O-N 2.89Å; Q153-V157 VanDerWaalsContact O-N 3.16Å
154R95.4Very high94.4Very high94 Ų9481.2 Ų81.236%0.35538%0.376SS..Hα-helixtrans-64.2-37.8178.9-63.9-63.8174.9-175.2-6.9112L150 Y151 R156 V157 W158 L204 A207L150-R154 HydrophobicContact CD1-CG 4.49Å; L150-R154 WeakPolarHBondContact O-CG 3.48Å; L150-R154 PolarHBondContact O-N 3.39Å; Y151-R154 PolarHBondContact O-N 2.81Å; Y151-R154 VanDerWaalsContact O-N 3.11Å; R154-R156 PolarHBondContact O-N 3.34Å; R154-V157 PolarHBondContact O-N 3.4Å; R154-W158 WeakPolarHBondContact O-CB 3.45Å; R154-W158 PolarHBondContact O-N 3.5Å; R154-L204 HydrophobicContact CB-CB 4.45Å; R154-L204 HydrophobicContact CB-CD1 3.98Å; R154-A207 HydrophobicContact CB-CB 4.33Å; R154-A207 HydrophobicContact CG-CB 3.88Å
155E95.4Very high94Very high88 Ų8880.5 Ų80.541%0.41137%0.373SS..Hα-helixtrans-58.8-46.9176.5-178-175.1-136.400111.3Y151 Q153 W158 A159 L204Y151-E155 WeakPolarHBondContact O-CB 3.5Å; Y151-E155 PolarHBondContact O-N 3.14Å; Q153-E155 VanDerWaalsContact C-N 3.32Å; Q153-E155 PolarHBondContact O-N 2.96Å; E155-W158 PolarHBondContact O-N 2.95Å; E155-A159 WeakPolarHBondContact O-CB 3.38Å; E155-A159 PolarHBondContact O-N 2.87Å; E155-L204 HydrophobicContact CB-CD1 3.99Å
156R95.4Very high93.7Very high156 Ų15681.9 Ų81.959%0.58939%0.386SS*.Hα-helixtrans-63.3-44177.6-74.5-179.2-74.5171-2.1112.8G152 Q153 R154 W158 A159 L160G152-R156 WeakPolarHBondContact O-CG 3.42Å; G152-R156 PolarHBondContact O-NE 3.45Å; Q153-R156 PolarHBondContact O-N 3.07Å; R154-R156 PolarHBondContact O-N 3.34Å; R156-W158 VanDerWaalsContact C-N 3.35Å; R156-A159 PolarHBondContact O-N 2.92Å; R156-L160 WeakPolarHBondContact O-CG 3.33Å; R156-L160 PolarHBondContact O-N 3.28Å; R156-L160 VanDerWaalsContact O-N 3.07Å
157V94.4Very high93.4Very high60 Ų6078.2 Ų78.236%0.36438%0.378SS..Hα-helixtrans-64.1-42.6178.5174.40000110.8Q153 R154 A161 Y200Q153-V157 WeakPolarHBondContact O-CG2 3.21Å; Q153-V157 PolarHBondContact O-N 2.89Å; Q153-V157 VanDerWaalsContact O-N 3.16Å; R154-V157 PolarHBondContact O-N 3.4Å; V157-A161 WeakPolarHBondContact O-CB 3.34Å; V157-A161 PolarHBondContact O-N 3.2Å; V157-Y200 HydrophobicContact CG1-CD1 3.81Å; V157-Y200 HydrophobicContact CG1-CD2 4.42Å; V157-Y200 HydrophobicContact CG1-CE1 3.63Å; V157-Y200 HydrophobicContact CG1-CE2 4.23Å; V157-Y200 HydrophobicContact CG1-CG 4.22Å
158W94Very high92.9Very high75 Ų7578.4 Ų78.428%0.28438%0.379SS..Hα-helixtrans-65.5-43.6176.7175.279.5000112.4R154 E155 R156 L160 A161 Q162 L204R154-W158 WeakPolarHBondContact O-CB 3.45Å; R154-W158 PolarHBondContact O-N 3.5Å; E155-W158 PolarHBondContact O-N 2.95Å; R156-W158 VanDerWaalsContact C-N 3.35Å; W158-L160 PolarHBondContact O-N 3.28Å; W158-A161 WeakPolarHBondContact O-CB 3.34Å; W158-A161 PolarHBondContact O-N 3.43Å; W158-A161 VanDerWaalsContact O-N 3.14Å; W158-Q162 HydrophobicContact CD2-CG 4.07Å; W158-Q162 HydrophobicContact CH2-CG 4.16Å; W158-Q162 HydrophobicContact CZ2-CG 3.66Å; W158-Q162 PolarHBondContact O-N 3.32Å; W158-L204 HydrophobicContact CB-CD2 4.09Å; W158-L204 HydrophobicContact CD2-CD2 3.83Å; W158-L204 HydrophobicContact CE3-CD2 3.88Å; W158-L204 HydrophobicContact CG-CD2 3.93Å
159A93.4Very high92.4Very high47 Ų4774.9 Ų74.939%0.38837%0.368SS..Hα-helixtrans-60-44.7177.300000112.2E155 R156 A161 Q162 E163E155-A159 WeakPolarHBondContact O-CB 3.38Å; E155-A159 PolarHBondContact O-N 2.87Å; R156-A159 PolarHBondContact O-N 2.92Å; A159-A161 VanDerWaalsContact C-N 3.32Å; A159-A161 PolarHBondContact O-N 3.28Å; A159-Q162 WeakPolarHBondContact O-CB 3.28Å; A159-Q162 PolarHBondContact O-N 3.12Å; A159-E163 PolarHBondContact O-N 2.96Å
160L93.5Very high91.9Very high95 Ų9570.1 Ų70.150%0.49735%0.353SS..Hα-helixtrans-63.3-36.6174.9-73.2167.5000112.4R156 W158 K164R156-L160 WeakPolarHBondContact O-CG 3.33Å; R156-L160 PolarHBondContact O-N 3.28Å; R156-L160 VanDerWaalsContact O-N 3.07Å; W158-L160 PolarHBondContact O-N 3.28Å; L160-K164 VanDerWaalsContact O-CG 3.31Å; L160-K164 WeakPolarHBondContact O-CG 3.46Å; L160-K164 PolarHBondContact O-N 3.18Å
161A91Very high91.3Very high12 Ų1272.8 Ų72.810%0.09936%0.358CS..Hα-helixtrans-69.5-39.1176.200000112V157 W158 A159 A165 Y200V157-A161 WeakPolarHBondContact O-CB 3.34Å; V157-A161 PolarHBondContact O-N 3.2Å; W158-A161 WeakPolarHBondContact O-CB 3.34Å; W158-A161 PolarHBondContact O-N 3.43Å; W158-A161 VanDerWaalsContact O-N 3.14Å; A159-A161 VanDerWaalsContact C-N 3.32Å; A159-A161 PolarHBondContact O-N 3.28Å; A161-A165 WeakPolarHBondContact O-CB 3.41Å; A161-A165 PolarHBondContact O-N 2.99Å; A161-Y200 HydrophobicContact CB-CD2 3.51Å; A161-Y200 HydrophobicContact CB-CE2 3.92Å
162Q90.9Very high90.5Very high80 Ų8071.8 Ų71.837%0.37436%0.356SS..Hα-helixtrans-63.2-46.2174.1-83-71.9-1500112.1W158 A159 K164 A165 A166 S197W158-Q162 HydrophobicContact CD2-CG 4.07Å; W158-Q162 HydrophobicContact CH2-CG 4.16Å; W158-Q162 HydrophobicContact CZ2-CG 3.66Å; W158-Q162 PolarHBondContact O-N 3.32Å; A159-Q162 WeakPolarHBondContact O-CB 3.28Å; A159-Q162 PolarHBondContact O-N 3.12Å; Q162-K164 PolarHBondContact O-N 2.88Å; Q162-A165 PolarHBondContact O-N 3.01Å; Q162-A166 WeakPolarHBondContact O-CB 3.45Å; Q162-A166 PolarHBondContact O-N 2.89Å; Q162-S197 PolarHBondContact NE2-OG 3.38Å
163E92.1Very high89.8Confident133 Ų13376.7 Ų76.762%0.62138%0.378SS*.Hα-helixtrans-58.2-46.8176.9-174.5-177.4-18000111.5A159 A165 A166 D167A159-E163 PolarHBondContact O-N 2.96Å; E163-A165 PolarHBondContact O-N 3.41Å; E163-A166 PolarHBondContact O-N 3.2Å; E163-D167 PolarHBondContact O-N 3.35Å
164K90.6Very high89.1Confident133 Ų13379.7 Ų79.758%0.57839%0.385SS*.Hα-helixtrans-62.7-41.1176.6-72.6175.3-178.5-178.40112.8L160 Q162 V168L160-K164 VanDerWaalsContact O-CG 3.31Å; L160-K164 WeakPolarHBondContact O-CG 3.46Å; L160-K164 PolarHBondContact O-N 3.18Å; Q162-K164 PolarHBondContact O-N 2.88Å; K164-V168 WeakPolarHBondContact O-CG2 3.41Å; K164-V168 PolarHBondContact O-N 3.31Å
165A88.1Confident87.8Confident10 Ų1079 Ų798%0.08339%0.394CS..Hα-helixtrans-66.4-41.7176.900000111.4A161 Q162 E163 V168 Q169 L193A161-A165 WeakPolarHBondContact O-CB 3.41Å; A161-A165 PolarHBondContact O-N 2.99Å; Q162-A165 PolarHBondContact O-N 3.01Å; E163-A165 PolarHBondContact O-N 3.41Å; A165-V168 PolarHBondContact O-N 3.02Å; A165-Q169 VanDerWaalsContact O-CB 3.31Å; A165-Q169 WeakPolarHBondContact O-CB 3.37Å; A165-Q169 PolarHBondContact O-N 3.43Å; A165-L193 HydrophobicContact CB-CB 4.18Å
166A88.2Confident86.1Confident57 Ų5779.7 Ų79.747%0.47140%0.401SS..Hα-helixtrans-65.4-41.6177.800000112.4Q162 E163 Q169 A170Q162-A166 WeakPolarHBondContact O-CB 3.45Å; Q162-A166 PolarHBondContact O-N 2.89Å; E163-A166 PolarHBondContact O-N 3.2Å; A166-Q169 PolarHBondContact O-N 3.3Å; A166-A170 VanDerWaalsContact O-CB 3.29Å; A166-A170 WeakPolarHBondContact O-CB 3.29Å; A166-A170 PolarHBondContact O-N 3.08Å
167D88.4Confident84.4Confident72 Ų7276.8 Ų76.839%0.38539%0.394SS..Hα-helixtrans-61.9-47.5176-178.451.9000111.5E163 Q169 A170 R171E163-D167 PolarHBondContact O-N 3.35Å; D167-Q169 VanDerWaalsContact C-N 3.34Å; D167-Q169 PolarHBondContact O-N 3.07Å; D167-A170 PolarHBondContact O-N 2.94Å; D167-R171 WeakPolarHBondContact O-CG 3.41Å; D167-R171 PolarHBondContact O-N 3.32Å; D167-R171 IonicContact OD1-NE 3.92Å; D167-R171 PolarHBondContact OD1-NE 3.3Å; D167-R171 IonicContact OD1-NH2 3.67Å; D167-R171 IonicContact OD2-CZ 3.48Å; D167-R171 IonicContact OD2-NE 3.78Å; D167-R171 PolarHBondContact OD2-NE 3.39Å; D167-R171 IonicContact OD2-NH2 3.21Å; D167-R171 PolarHBondContact OD2-NH2 3Å
168V86.6Confident82.8Confident16 Ų1676.1 Ų76.110%0.09740%0.399CS..Hα-helixtrans-64.4-38.5177.4173.90000111.6K164 A165 R171 L172 L189 L193K164-V168 WeakPolarHBondContact O-CG2 3.41Å; K164-V168 PolarHBondContact O-N 3.31Å; A165-V168 PolarHBondContact O-N 3.02Å; V168-R171 PolarHBondContact O-N 3.49Å; V168-L172 PolarHBondContact O-N 3.38Å; V168-L189 HydrophobicContact CG1-CD2 4.26Å; V168-L189 HydrophobicContact CG1-CG 4.27Å; V168-L189 HydrophobicContact CG2-CD2 4.26Å; V168-L193 HydrophobicContact CB-CD1 4.05Å; V168-L193 HydrophobicContact CG1-CD1 4.41Å; V168-L193 HydrophobicContact CG2-CD1 3.62Å
169Q84.3Confident81Confident69 Ų6980.6 Ų80.632%0.32243%0.426SS..Hα-helixtrans-68.8-37.8176.4-168.564.218.200112.3A165 A166 D167 L172 N173 S190A165-Q169 VanDerWaalsContact O-CB 3.31Å; A165-Q169 WeakPolarHBondContact O-CB 3.37Å; A165-Q169 PolarHBondContact O-N 3.43Å; A166-Q169 PolarHBondContact O-N 3.3Å; D167-Q169 VanDerWaalsContact C-N 3.34Å; D167-Q169 PolarHBondContact O-N 3.07Å; Q169-L172 WeakPolarHBondContact O-CB 3.27Å; Q169-L172 PolarHBondContact O-N 2.85Å; Q169-N173 VanDerWaalsContact O-CG 3.31Å; Q169-N173 PolarHBondContact O-N 3.33Å; Q169-S190 PolarHBondContact OE1-OG 3.1Å
170A85.6Confident79.3Confident27 Ų2787.2 Ų87.222%0.22345%0.447CS..Hα-helixtrans-64.5-41.6175.200000111.7A166 D167 L172 N173 R174A166-A170 VanDerWaalsContact O-CB 3.29Å; A166-A170 WeakPolarHBondContact O-CB 3.29Å; A166-A170 PolarHBondContact O-N 3.08Å; D167-A170 PolarHBondContact O-N 2.94Å; A170-L172 VanDerWaalsContact C-N 3.33Å; A170-L172 PolarHBondContact O-N 3.37Å; A170-N173 PolarHBondContact O-N 2.87Å; A170-R174 WeakPolarHBondContact O-CG 3.26Å; A170-R174 PolarHBondContact O-N 3.07Å
171R82.6Confident77.8Confident125 Ų12587.3 Ų87.347%0.47244%0.444SS..Hα-helixtrans-61.9-39.2173.1-67.7176.4-163.2-150.86.8112.2D167 V168 S175 D176D167-R171 WeakPolarHBondContact O-CG 3.41Å; D167-R171 PolarHBondContact O-N 3.32Å; D167-R171 IonicContact OD1-NE 3.92Å; D167-R171 PolarHBondContact OD1-NE 3.3Å; D167-R171 IonicContact OD1-NH2 3.67Å; D167-R171 IonicContact OD2-CZ 3.48Å; D167-R171 IonicContact OD2-NE 3.78Å; D167-R171 PolarHBondContact OD2-NE 3.39Å; D167-R171 IonicContact OD2-NH2 3.21Å; D167-R171 PolarHBondContact OD2-NH2 3Å; V168-R171 PolarHBondContact O-N 3.49Å; R171-S175 PolarHBondContact O-N 3Å; R171-D176 PolarHBondContact O-N 2.77Å
172L79.4Confident76.9Confident36 Ų3690 Ų9019%0.18846%0.463CS..Hα-helixtrans-64.8-43.3175.6-175.467.8000112.1V168 Q169 A170 S175 L186 Q187V168-L172 PolarHBondContact O-N 3.38Å; Q169-L172 WeakPolarHBondContact O-CB 3.27Å; Q169-L172 PolarHBondContact O-N 2.85Å; A170-L172 VanDerWaalsContact C-N 3.33Å; A170-L172 PolarHBondContact O-N 3.37Å; L172-S175 PolarHBondContact O-N 3.19Å; L172-L186 HydrophobicContact CD1-CB 4.06Å; L172-Q187 HydrophobicContact CD1-CG 3.89Å; L172-Q187 HydrophobicContact CD2-CG 4.09Å
173N80.7Confident76.1Confident122 Ų12293.6 Ų93.665%0.65247%0.473SS*.Hα-helixtrans-70-33.3-179.3-72.2-8.1000113.2Q169 A170 S175Q169-N173 VanDerWaalsContact O-CG 3.31Å; Q169-N173 PolarHBondContact O-N 3.33Å; A170-N173 PolarHBondContact O-N 2.87Å; N173-S175 PolarHBondContact O-N 3.36Å
174R80.6Confident75.4Confident167 Ų16791.2 Ų91.263%0.6347%0.468SS*.THydrogen-bonded Turntrans-79.4-2175.6-66.3-179.2-157.4142.64.8113.2A170 D176A170-R174 WeakPolarHBondContact O-CG 3.26Å; A170-R174 PolarHBondContact O-N 3.07Å; R174-D176 HydrophobicContact CB-CB 4.42Å; R174-D176 PolarHBondContact O-N 3.39Å
175S68.4Low74.9Confident78 Ų7887.2 Ų87.255%0.54546%0.456SS..THydrogen-bonded Turntrans51.539.1-173.245.60000112.4R171 L172 N173 H177R171-S175 PolarHBondContact O-N 3Å; L172-S175 PolarHBondContact O-N 3.19Å; N173-S175 PolarHBondContact O-N 3.36Å; S175-H177 VanDerWaalsContact C-ND1 3.3Å; S175-H177 PolarHBondContact O-CE1 3.34Å; S175-H177 PolarHBondContact O-N 3.44Å; S175-H177 PolarHBondContact O-ND1 3.23Å
176D59Low74.6Confident103 Ų10387.3 Ų87.355%0.55146%0.455SS*.  trans-82.680.9-177.9-127.8-13.2000109.1R171 R174 G178R171-D176 PolarHBondContact O-N 2.77Å; R174-D176 HydrophobicContact CB-CB 4.42Å; R174-D176 PolarHBondContact O-N 3.39Å; D176-G178 PolarHBondContact O-N 3.02Å; D176-G178 VanDerWaalsContact O-N 3.14Å
177H60.3Low74.3Confident96 Ų9688.5 Ų88.544%0.44445%0.451SS..  trans-84.783-178.7-56.676.8000109S175S175-H177 VanDerWaalsContact C-ND1 3.3Å; S175-H177 PolarHBondContact O-CE1 3.34Å; S175-H177 PolarHBondContact O-N 3.44Å; S175-H177 PolarHBondContact O-ND1 3.23Å
178G60.2Low74.2Confident45 Ų4592 Ų9246%0.46446%0.463SS..  trans-55.5150.8165.900000110.7D176 F180 H181D176-G178 PolarHBondContact O-N 3.02Å; D176-G178 VanDerWaalsContact O-N 3.14Å; G178-F180 PolarHBondContact O-N 3.18Å; G178-H181 PolarHBondContact O-N 3.47Å
179I57.4Low74.2Confident169 Ų16994.5 Ų94.587%0.86748%0.475SS*.THydrogen-bonded Turntrans-50.8-15.7-171.7-59.5167.2000114.3
180F56.9Low74.3Confident187 Ų18791.6 Ų91.682%0.8246%0.463SS*.THydrogen-bonded Turntrans-1140.3-176.2-69.2-82.3000116.3G178G178-F180 PolarHBondContact O-N 3.18Å
181H61.8Low74.4Confident96 Ų9694.7 Ų94.744%0.44448%0.479SS..  trans-129.7113.6-175-64.359.8000111.9G178 L186G178-H181 PolarHBondContact O-N 3.47Å; H181-L186 HydrophobicContact CB-CD1 4.16Å; H181-L186 HydrophobicContact CB-CD2 4.18Å; H181-L186 HydrophobicContact CB-CG 3.98Å
182S71.8Confident74.8Confident69 Ų6995.8 Ų95.848%0.48349%0.487SS..  trans-75.6153.8173.478.40000111.1T184 S185 L186S182-T184 PolarHBondContact O-N 2.83Å; S182-S185 PolarHBondContact N-OG 3.38Å; S182-S185 PolarHBondContact O-N 3.32Å; S182-S185 PolarHBondContact O-OG 3.31Å; S182-S185 PolarHBondContact OG-N 3.14Å; S182-S185 PolarHBondContact OG-OG 2.94Å; S182-L186 PolarHBondContact O-N 3.48Å
183R75.4Confident75.3Confident156 Ų15695.4 Ų95.459%0.58949%0.485SS*.Hα-helixtrans-50.5-41.9176.3-174.1171.9169.6149.6-2.6112.1L186 Q187R183-L186 PolarHBondContact O-N 3.42Å; R183-Q187 WeakPolarHBondContact O-CG 3.48Å; R183-Q187 PolarHBondContact O-N 3.47Å
184T77.3Confident75.6Confident83 Ų8392.5 Ų92.551%0.50947%0.474SS..Hα-helixtrans-70.7-35-179.8-33.60000112.3S182 K188S182-T184 PolarHBondContact O-N 2.83Å; T184-K188 WeakPolarHBondContact O-CG 3.35Å; T184-K188 PolarHBondContact O-N 3.17Å; T184-K188 VanDerWaalsContact O-N 3.09Å
185S80.2Confident76Confident49 Ų4987.6 Ų87.634%0.34347%0.469SS..Hα-helixtrans-70.2-37.3174.558.60000112.6S182 K188 L189S182-S185 PolarHBondContact N-OG 3.38Å; S182-S185 PolarHBondContact O-N 3.32Å; S182-S185 PolarHBondContact O-OG 3.31Å; S182-S185 PolarHBondContact OG-N 3.14Å; S182-S185 PolarHBondContact OG-OG 2.94Å; S185-K188 PolarHBondContact O-N 3.22Å; S185-L189 WeakPolarHBondContact O-CB 3.03Å; S185-L189 PolarHBondContact O-N 3.44Å
186L80.6Confident77.1Confident12 Ų1287.3 Ų87.36%0.06346%0.46CS..Hα-helixtrans-67.5-37.9174.2-74.3171.2000112L172 H181 S182 R183 L189 S190L172-L186 HydrophobicContact CD1-CB 4.06Å; H181-L186 HydrophobicContact CB-CD1 4.16Å; H181-L186 HydrophobicContact CB-CD2 4.18Å; H181-L186 HydrophobicContact CB-CG 3.98Å; S182-L186 PolarHBondContact O-N 3.48Å; R183-L186 PolarHBondContact O-N 3.42Å; L186-L189 PolarHBondContact O-N 2.84Å; L186-S190 WeakPolarHBondContact O-CB 3.36Å; L186-S190 PolarHBondContact O-N 3.47Å
187Q83.2Confident78.5Confident81 Ų8182.7 Ų82.738%0.37944%0.435SS..Hα-helixtrans-62.4-43.1172.7-76.2173.4-25.700112.4L172 R183 S190 T191L172-Q187 HydrophobicContact CD1-CG 3.89Å; L172-Q187 HydrophobicContact CD2-CG 4.09Å; R183-Q187 WeakPolarHBondContact O-CG 3.48Å; R183-Q187 PolarHBondContact O-N 3.47Å; Q187-S190 PolarHBondContact O-N 2.92Å; Q187-T191 WeakPolarHBondContact O-CG2 3.25Å; Q187-T191 PolarHBondContact O-N 2.96Å; Q187-T191 PolarHBondContact O-OG1 3.15Å
188K86.6Confident80Confident147 Ų14781.1 Ų81.164%0.63944%0.439SS*.Hα-helixtrans-64.6-38.5174.4-73.4179.5-179.4-178.10112.4T184 S185 T191 K192T184-K188 WeakPolarHBondContact O-CG 3.35Å; T184-K188 PolarHBondContact O-N 3.17Å; T184-K188 VanDerWaalsContact O-N 3.09Å; S185-K188 PolarHBondContact O-N 3.22Å; K188-T191 WeakPolarHBondContact CA-OG1 3.42Å; K188-T191 PolarHBondContact O-OG1 3.01Å; K188-K192 WeakPolarHBondContact O-CB 3.26Å; K188-K192 PolarHBondContact O-N 3.44Å; K188-K192 VanDerWaalsContact O-N 3.09Å
189L86.1Confident81.5Confident67 Ų6784.2 Ų84.235%0.35144%0.441SS..Hα-helixtrans-69.1-42.4176.5-174.862.1000111.8V168 S185 L186 K192 L193V168-L189 HydrophobicContact CG1-CD2 4.26Å; V168-L189 HydrophobicContact CG1-CG 4.27Å; V168-L189 HydrophobicContact CG2-CD2 4.26Å; S185-L189 WeakPolarHBondContact O-CB 3.03Å; S185-L189 PolarHBondContact O-N 3.44Å; L186-L189 PolarHBondContact O-N 2.84Å; L189-K192 PolarHBondContact O-N 3.47Å; L189-L193 HydrophobicContact CD1-CD1 4.35Å; L189-L193 HydrophobicContact CD1-CG 4.35Å; L189-L193 HydrophobicContact CG-CD1 4.12Å; L189-L193 HydrophobicContact CG-CG 4.5Å; L189-L193 WeakPolarHBondContact O-CB 3.34Å; L189-L193 WeakPolarHBondContact O-CG 3.5Å; L189-L193 PolarHBondContact O-N 3.43Å
190S86.1Confident83.3Confident9 Ų979 Ų796%0.06341%0.411CS..Hα-helixtrans-60.8-46.9175.5169.20000111.6Q169 L186 Q187 K192 L193 S194Q169-S190 PolarHBondContact OE1-OG 3.1Å; L186-S190 WeakPolarHBondContact O-CB 3.36Å; L186-S190 PolarHBondContact O-N 3.47Å; Q187-S190 PolarHBondContact O-N 2.92Å; S190-K192 PolarHBondContact O-N 2.87Å; S190-L193 PolarHBondContact O-N 2.98Å; S190-S194 VanDerWaalsContact O-CB 3.25Å; S190-S194 WeakPolarHBondContact O-CB 3.23Å; S190-S194 PolarHBondContact O-N 3.29Å; S190-S194 PolarHBondContact O-OG 3.42Å
191T87.3Confident85Confident91 Ų9172.4 Ų72.456%0.55839%0.388SS*.Hα-helixtrans-62.3-40.717747.80000112.2Q187 K188 S194 A195Q187-T191 WeakPolarHBondContact O-CG2 3.25Å; Q187-T191 PolarHBondContact O-N 2.96Å; Q187-T191 PolarHBondContact O-OG1 3.15Å; K188-T191 WeakPolarHBondContact CA-OG1 3.42Å; K188-T191 PolarHBondContact O-OG1 3.01Å; T191-S194 PolarHBondContact O-N 3.12Å; T191-A195 WeakPolarHBondContact O-CB 3.36Å; T191-A195 PolarHBondContact O-N 3.45Å
192K90.9Very high86.6Confident148 Ų14874.6 Ų74.664%0.64340%0.399SS*.Hα-helixtrans-64.4-47174.8-175.1177.6180178.50112.8K188 L189 S190 S194 A195 Q196K188-K192 WeakPolarHBondContact O-CB 3.26Å; K188-K192 PolarHBondContact O-N 3.44Å; K188-K192 VanDerWaalsContact O-N 3.09Å; L189-K192 PolarHBondContact O-N 3.47Å; S190-K192 PolarHBondContact O-N 2.87Å; K192-S194 VanDerWaalsContact C-N 3.3Å; K192-S194 PolarHBondContact O-N 3.35Å; K192-A195 PolarHBondContact O-N 3.12Å; K192-Q196 WeakPolarHBondContact O-CB 3.36Å; K192-Q196 PolarHBondContact O-N 3.16Å
193L89.9Confident87.7Confident29 Ų2974.2 Ų74.215%0.15239%0.389CS..Hα-helixtrans-66.8-33.8177.9-71.6176000111.8A165 V168 L189 S190 Q196 S197A165-L193 HydrophobicContact CB-CB 4.18Å; V168-L193 HydrophobicContact CB-CD1 4.05Å; V168-L193 HydrophobicContact CG1-CD1 4.41Å; V168-L193 HydrophobicContact CG2-CD1 3.62Å; L189-L193 HydrophobicContact CD1-CD1 4.35Å; L189-L193 HydrophobicContact CD1-CG 4.35Å; L189-L193 HydrophobicContact CG-CD1 4.12Å; L189-L193 HydrophobicContact CG-CG 4.5Å; L189-L193 WeakPolarHBondContact O-CB 3.34Å; L189-L193 WeakPolarHBondContact O-CG 3.5Å; L189-L193 PolarHBondContact O-N 3.43Å; S190-L193 PolarHBondContact O-N 2.98Å; L193-Q196 PolarHBondContact O-N 3.39Å; L193-S197 VanDerWaalsContact O-CB 3.27Å; L193-S197 WeakPolarHBondContact O-CB 3.31Å; L193-S197 PolarHBondContact O-N 2.93Å
194S87.7Confident88.7Confident60 Ų6067.9 Ų67.942%0.4237%0.367SS..Hα-helixtrans-66.1-44.4173.8-61.60000111.7S190 T191 K192 S197 A198S190-S194 VanDerWaalsContact O-CB 3.25Å; S190-S194 WeakPolarHBondContact O-CB 3.23Å; S190-S194 PolarHBondContact O-N 3.29Å; S190-S194 PolarHBondContact O-OG 3.42Å; T191-S194 PolarHBondContact O-N 3.12Å; K192-S194 VanDerWaalsContact C-N 3.3Å; K192-S194 PolarHBondContact O-N 3.35Å; S194-S197 PolarHBondContact O-N 3.38Å; S194-A198 PolarHBondContact O-N 2.76Å
195A89.6Confident89.6Confident64 Ų6468.7 Ų68.753%0.52937%0.365SS..Hα-helixtrans-62.9-41.3173.800000112.1T191 K192 A198 Q199T191-A195 WeakPolarHBondContact O-CB 3.36Å; T191-A195 PolarHBondContact O-N 3.45Å; K192-A195 PolarHBondContact O-N 3.12Å; A195-A198 PolarHBondContact O-N 3.23Å; A195-Q199 PolarHBondContact O-N 2.98Å
196Q90.4Very high90.4Very high73 Ų7369.3 Ų69.334%0.34137%0.373SS..Hα-helixtrans-65.3-39175.8-169.4177.510.100112K192 L193 Q199 Y200K192-Q196 WeakPolarHBondContact O-CB 3.36Å; K192-Q196 PolarHBondContact O-N 3.16Å; L193-Q196 PolarHBondContact O-N 3.39Å; Q196-Q199 PolarHBondContact O-N 3.36Å; Q196-Y200 HydrophobicContact CG-CD2 4.05Å; Q196-Y200 HydrophobicContact CG-CE2 3.57Å; Q196-Y200 PolarHBondContact NE2-OH 3.45Å; Q196-Y200 WeakPolarHBondContact O-CD2 3.27Å; Q196-Y200 PolarHBondContact O-N 2.97Å
197S89.5Confident91.2Very high6 Ų669.1 Ų69.14%0.04237%0.373CS..Hα-helixtrans-64.1-41.7174.3-176.30000112Q162 L193 S194 Q199 Y200 S201Q162-S197 PolarHBondContact NE2-OG 3.38Å; L193-S197 VanDerWaalsContact O-CB 3.27Å; L193-S197 WeakPolarHBondContact O-CB 3.31Å; L193-S197 PolarHBondContact O-N 2.93Å; S194-S197 PolarHBondContact O-N 3.38Å; S197-Q199 PolarHBondContact O-N 3.41Å; S197-Y200 PolarHBondContact O-N 2.93Å; S197-S201 WeakPolarHBondContact O-CB 3.39Å; S197-S201 PolarHBondContact O-N 3.17Å
198A90.4Very high91.9Very high63 Ų6370.7 Ų70.752%0.52138%0.376SS..Hα-helixtrans-61.4-41.8174.300000112S194 A195 S201 Q202S194-A198 PolarHBondContact O-N 2.76Å; A195-A198 PolarHBondContact O-N 3.23Å; A198-S201 WeakPolarHBondContact O-CB 3.39Å; A198-S201 PolarHBondContact O-N 3.04Å; A198-Q202 PolarHBondContact O-N 3.41Å
199Q93.2Very high92.4Very high109 Ų10967.2 Ų67.251%0.50936%0.364SS..Hα-helixtrans-62.4-44.9175.3-172-175.96.100112.3A195 Q196 S197 S201 Q202 Q203A195-Q199 PolarHBondContact O-N 2.98Å; Q196-Q199 PolarHBondContact O-N 3.36Å; S197-Q199 PolarHBondContact O-N 3.41Å; Q199-S201 VanDerWaalsContact C-N 3.3Å; Q199-S201 PolarHBondContact O-N 2.68Å; Q199-Q202 PolarHBondContact O-N 3.37Å; Q199-Q203 WeakPolarHBondContact O-CG 3.48Å; Q199-Q203 PolarHBondContact O-N 3.14Å; Q199-Q203 VanDerWaalsContact O-N 3.11Å
200Y93.9Very high93Very high59 Ų5969.2 Ų69.223%0.23137%0.371CS..Hα-helixtrans-66.9-32.2175.6-70.2-50.4000112.6V157 A161 Q196 S197 Q203 L204V157-Y200 HydrophobicContact CG1-CD1 3.81Å; V157-Y200 HydrophobicContact CG1-CD2 4.42Å; V157-Y200 HydrophobicContact CG1-CE1 3.63Å; V157-Y200 HydrophobicContact CG1-CE2 4.23Å; V157-Y200 HydrophobicContact CG1-CG 4.22Å; A161-Y200 HydrophobicContact CB-CD2 3.51Å; A161-Y200 HydrophobicContact CB-CE2 3.92Å; Q196-Y200 HydrophobicContact CG-CD2 4.05Å; Q196-Y200 HydrophobicContact CG-CE2 3.57Å; Q196-Y200 PolarHBondContact NE2-OH 3.45Å; Q196-Y200 WeakPolarHBondContact O-CD2 3.27Å; Q196-Y200 PolarHBondContact O-N 2.97Å; S197-Y200 PolarHBondContact O-N 2.93Å; Y200-Q203 PolarHBondContact O-N 3.31Å; Y200-L204 WeakPolarHBondContact O-CB 3.31Å; Y200-L204 PolarHBondContact O-N 3.29Å
201S94.1Very high93.6Very high50 Ų5071.1 Ų71.135%0.3538%0.378SS..Hα-helixtrans-61.1-45.6174-1700000111S197 A198 Q199 Q203 L204 Q205S197-S201 WeakPolarHBondContact O-CB 3.39Å; S197-S201 PolarHBondContact O-N 3.17Å; A198-S201 WeakPolarHBondContact O-CB 3.39Å; A198-S201 PolarHBondContact O-N 3.04Å; Q199-S201 VanDerWaalsContact C-N 3.3Å; Q199-S201 PolarHBondContact O-N 2.68Å; S201-Q203 PolarHBondContact O-N 3.28Å; S201-L204 PolarHBondContact O-N 3.16Å; S201-Q205 WeakPolarHBondContact O-CB 3.25Å; S201-Q205 PolarHBondContact O-N 3.41Å
202Q95.1Very high94.1Very high142 Ų14270.9 Ų70.966%0.66437%0.372SS*.Hα-helixtrans-62.5-42.4175.9-169.3-178.313.400112A198 Q199 Q205 A206A198-Q202 PolarHBondContact O-N 3.41Å; Q199-Q202 PolarHBondContact O-N 3.37Å; Q202-Q205 PolarHBondContact O-N 3.43Å; Q202-A206 PolarHBondContact O-N 2.88Å
203Q94.8Very high94.4Very high60 Ų6069.5 Ų69.528%0.2837%0.371SS..Hα-helixtrans-65.2-38.3176-69.4179.410.300112.8Q199 Y200 S201 A206 A207Q199-Q203 WeakPolarHBondContact O-CG 3.48Å; Q199-Q203 PolarHBondContact O-N 3.14Å; Q199-Q203 VanDerWaalsContact O-N 3.11Å; Y200-Q203 PolarHBondContact O-N 3.31Å; S201-Q203 PolarHBondContact O-N 3.28Å; Q203-A206 PolarHBondContact O-N 3.29Å; Q203-A207 WeakPolarHBondContact O-CB 3.4Å; Q203-A207 PolarHBondContact O-N 3.2Å
204L96.3Very high94.8Very high23 Ų2369 Ų6912%0.1237%0.37CS..Hα-helixtrans-64.6-44.6174.517659.3000110.9Y151 R154 E155 W158 Y200 S201 A206 A207 R208Y151-L204 HydrophobicContact CD2-CD1 3.79Å; Y151-L204 HydrophobicContact CE2-CD1 3.56Å; Y151-L204 HydrophobicContact CE2-CG 4.49Å; R154-L204 HydrophobicContact CB-CB 4.45Å; R154-L204 HydrophobicContact CB-CD1 3.98Å; E155-L204 HydrophobicContact CB-CD1 3.99Å; W158-L204 HydrophobicContact CB-CD2 4.09Å; W158-L204 HydrophobicContact CD2-CD2 3.83Å; W158-L204 HydrophobicContact CE3-CD2 3.88Å; W158-L204 HydrophobicContact CG-CD2 3.93Å; Y200-L204 WeakPolarHBondContact O-CB 3.31Å; Y200-L204 PolarHBondContact O-N 3.29Å; S201-L204 PolarHBondContact O-N 3.16Å; L204-A206 PolarHBondContact O-N 2.92Å; L204-A207 PolarHBondContact O-N 3.22Å; L204-R208 WeakPolarHBondContact O-CB 3.36Å; L204-R208 PolarHBondContact O-N 2.9Å
205Q96Very high95.2Very high101 Ų10168.5 Ų68.547%0.47236%0.362SS..Hα-helixtrans-60.3-44.8176.2-177.8175.4-13.200111.5S201 Q202 R208 N209S201-Q205 WeakPolarHBondContact O-CB 3.25Å; S201-Q205 PolarHBondContact O-N 3.41Å; Q202-Q205 PolarHBondContact O-N 3.43Å; Q205-R208 PolarHBondContact O-N 3.33Å; Q205-N209 WeakPolarHBondContact O-CB 3.4Å; Q205-N209 PolarHBondContact O-N 2.87Å; Q205-N209 PolarHBondContact O-OD1 3.39Å
206A96.9Very high95.6Very high61 Ų6170.3 Ų70.350%0.50437%0.367SS..Hα-helixtrans-60.6-47175.600000112Q202 Q203 L204 R208 N209 E210Q202-A206 PolarHBondContact O-N 2.88Å; Q203-A206 PolarHBondContact O-N 3.29Å; L204-A206 PolarHBondContact O-N 2.92Å; A206-R208 VanDerWaalsContact C-N 3.33Å; A206-R208 PolarHBondContact O-N 2.94Å; A206-N209 PolarHBondContact O-N 2.7Å; A206-E210 PolarHBondContact O-N 3.43Å
207A97.3Very high96Very high8 Ų869.8 Ų69.87%0.06637%0.374CS..Hα-helixtrans-65.6-33.8177.700000113.1L150 R154 Q203 L204 Y211L150-A207 HydrophobicContact CG-CB 4.41Å; R154-A207 HydrophobicContact CB-CB 4.33Å; R154-A207 HydrophobicContact CG-CB 3.88Å; Q203-A207 WeakPolarHBondContact O-CB 3.4Å; Q203-A207 PolarHBondContact O-N 3.2Å; L204-A207 PolarHBondContact O-N 3.22Å; A207-Y211 WeakPolarHBondContact O-CB 3.48Å; A207-Y211 PolarHBondContact O-N 2.84Å
208R98Very high96.4Very high115 Ų11569.6 Ų69.643%0.43437%0.373SS..Hα-helixtrans-66.7-46.8174.4-174.3178.763.6-176.9-1.4111.2Y151 L204 Q205 A206 E210 Y211 L212Y151-R208 HydrophobicContact CD2-CB 3.74Å; Y151-R208 HydrophobicContact CD2-CG 4.25Å; Y151-R208 HydrophobicContact CE2-CB 3.65Å; Y151-R208 HydrophobicContact CE2-CG 3.83Å; L204-R208 WeakPolarHBondContact O-CB 3.36Å; L204-R208 PolarHBondContact O-N 2.9Å; Q205-R208 PolarHBondContact O-N 3.33Å; A206-R208 VanDerWaalsContact C-N 3.33Å; A206-R208 PolarHBondContact O-N 2.94Å; R208-E210 VanDerWaalsContact C-N 3.34Å; R208-E210 PolarHBondContact O-N 3.28Å; R208-Y211 PolarHBondContact O-N 2.96Å; R208-L212 HydrophobicContact CG-CD1 4.21Å; R208-L212 WeakPolarHBondContact O-CG 3.33Å; R208-L212 PolarHBondContact O-N 3.08Å
209N97.8Very high96.7Very high74 Ų7470.1 Ų70.140%0.39637%0.367SS..Hα-helixtrans-61-45.7178.9-69.90.8000110.6Q205 A206 Y211 L212 L213Q205-N209 WeakPolarHBondContact O-CB 3.4Å; Q205-N209 PolarHBondContact O-N 2.87Å; Q205-N209 PolarHBondContact O-OD1 3.39Å; A206-N209 PolarHBondContact O-N 2.7Å; N209-Y211 PolarHBondContact O-N 3.33Å; N209-L212 PolarHBondContact O-N 3.48Å; N209-L213 WeakPolarHBondContact O-CG 3.41Å; N209-L213 PolarHBondContact O-N 2.9Å
210E97.6Very high96.9Very high108 Ų10867.6 Ų67.651%0.50537%0.365SS..Hα-helixtrans-58.8-46175.8-173.763.4-169.500111.8A206 R208 L212 L213 T214A206-E210 PolarHBondContact O-N 3.43Å; R208-E210 VanDerWaalsContact C-N 3.34Å; R208-E210 PolarHBondContact O-N 3.28Å; E210-L212 PolarHBondContact O-N 2.98Å; E210-L213 PolarHBondContact O-N 3.42Å; E210-T214 PolarHBondContact O-N 3.05Å; E210-T214 PolarHBondContact O-OG1 2.87Å
211Y98.1Very high97.1Very high50 Ų5066.8 Ų66.820%0.19636%0.363CS..Hα-helixtrans-59.9-43.8176.2171.6-124.3000112.5L144 R148 Y151 A207 R208 N209 T214 L215L144-Y211 HydrophobicContact CD1-CD2 3.82Å; L144-Y211 HydrophobicContact CD1-CE2 3.46Å; L144-Y211 VanDerWaalsContact CD1-CE2 3.46Å; L144-Y211 HydrophobicContact CG-CE2 4.37Å; R148-Y211 HydrophobicContact CB-CD2 3.91Å; R148-Y211 HydrophobicContact CB-CE2 3.59Å; R148-Y211 HydrophobicContact CG-CE2 4.04Å; Y151-Y211 HydrophobicContact CD1-CD1 4.43Å; A207-Y211 WeakPolarHBondContact O-CB 3.48Å; A207-Y211 PolarHBondContact O-N 2.84Å; R208-Y211 PolarHBondContact O-N 2.96Å; N209-Y211 PolarHBondContact O-N 3.33Å; Y211-T214 PolarHBondContact O-N 2.96Å; Y211-L215 VanDerWaalsContact O-CB 3.28Å; Y211-L215 WeakPolarHBondContact O-CB 3.46Å; Y211-L215 PolarHBondContact O-N 3.13Å
212L98.1Very high97.2Very high85 Ų8566.1 Ų66.145%0.44536%0.355SS..Hα-helixtrans-64.3-41.1177.6-70.3172.7000112R208 N209 E210 L215 V216R208-L212 HydrophobicContact CG-CD1 4.21Å; R208-L212 WeakPolarHBondContact O-CG 3.33Å; R208-L212 PolarHBondContact O-N 3.08Å; N209-L212 PolarHBondContact O-N 3.48Å; E210-L212 PolarHBondContact O-N 2.98Å; L212-L215 PolarHBondContact O-N 3.49Å; L212-V216 WeakPolarHBondContact O-CG2 3.28Å; L212-V216 PolarHBondContact O-N 3.24Å
213L97.9Very high97.4Very high119 Ų11964.2 Ų64.262%0.62335%0.35SS*.Hα-helixtrans-63.7-46.7175.5-69173.1000111.3N209 E210 L215 V216 A217N209-L213 WeakPolarHBondContact O-CG 3.41Å; N209-L213 PolarHBondContact O-N 2.9Å; E210-L213 PolarHBondContact O-N 3.42Å; L213-L215 VanDerWaalsContact C-N 3.28Å; L213-L215 PolarHBondContact O-N 2.99Å; L213-V216 PolarHBondContact O-N 3.15Å; L213-A217 WeakPolarHBondContact O-CB 3.2Å; L213-A217 PolarHBondContact O-N 3.49Å
214T97.6Very high97.5Very high20 Ų2065.8 Ų65.812%0.12336%0.357CS..Hα-helixtrans-62.8-36.1176.2-42.30000111.6E143 L144 S147 E210 Y211 T218E143-T214 HydrophobicContact CB-CG2 4.12Å; L144-T214 HydrophobicContact CB-CG2 4.15Å; L144-T214 HydrophobicContact CD1-CG2 4.37Å; S147-T214 PolarHBondContact OG-OG1 3.3Å; E210-T214 PolarHBondContact O-N 3.05Å; E210-T214 PolarHBondContact O-OG1 2.87Å; Y211-T214 PolarHBondContact O-N 2.96Å; T214-T218 VanDerWaalsContact O-CB 3.27Å; T214-T218 WeakPolarHBondContact O-CB 3.4Å; T214-T218 PolarHBondContact O-N 3.48Å; T214-T218 PolarHBondContact O-OG1 3.39Å
215L97.6Very high97.6Very high48 Ų4864.7 Ų64.725%0.25135%0.351SS..Hα-helixtrans-63.9-49.6178.9178.965.1000111.3L144 Y211 L212 L213 T218 N219L144-L215 HydrophobicContact CD1-CB 3.83Å; L144-L215 HydrophobicContact CD1-CD1 3.98Å; L144-L215 HydrophobicContact CD2-CD1 3.9Å; Y211-L215 VanDerWaalsContact O-CB 3.28Å; Y211-L215 WeakPolarHBondContact O-CB 3.46Å; Y211-L215 PolarHBondContact O-N 3.13Å; L212-L215 PolarHBondContact O-N 3.49Å; L213-L215 VanDerWaalsContact C-N 3.28Å; L213-L215 PolarHBondContact O-N 2.99Å; L215-T218 PolarHBondContact O-N 3.13Å; L215-N219 WeakPolarHBondContact O-CB 3.19Å; L215-N219 VanDerWaalsContact O-CG 3.24Å; L215-N219 PolarHBondContact O-N 3.06Å
216V98.1Very high97.6Very high103 Ų10364.2 Ų64.262%0.62435%0.346SS*.Hα-helixtrans-62.3-45177.7174.20000110.7L212 L213 T218 N219 A220L212-V216 WeakPolarHBondContact O-CG2 3.28Å; L212-V216 PolarHBondContact O-N 3.24Å; L213-V216 PolarHBondContact O-N 3.15Å; V216-T218 PolarHBondContact O-N 3.48Å; V216-N219 PolarHBondContact O-N 2.87Å; V216-A220 WeakPolarHBondContact O-CB 3.23Å; V216-A220 PolarHBondContact O-N 2.94Å
217A97.8Very high97.7Very high61 Ų6167.8 Ų67.850%0.50435%0.352SS..Hα-helixtrans-62.8-42.6178.100000112.7L213 A220 H221L213-A217 WeakPolarHBondContact O-CB 3.2Å; L213-A217 PolarHBondContact O-N 3.49Å; A217-A220 PolarHBondContact O-N 3.21Å; A217-H221 PolarHBondContact O-N 3.41Å
218T97.7Very high97.6Very high3 Ų373.1 Ų73.12%0.01838%0.376CS..Hα-helixtrans-67.5-40.9178.9-56.40000111.5S140 V141 L144 T214 L215 V216 H221 L222S140-T218 PolarHBondContact O-OG1 3.27Å; V141-T218 HydrophobicContact CG2-CG2 3.84Å; L144-T218 HydrophobicContact CB-CG2 4.36Å; L144-T218 HydrophobicContact CD2-CG2 4.04Å; T214-T218 VanDerWaalsContact O-CB 3.27Å; T214-T218 WeakPolarHBondContact O-CB 3.4Å; T214-T218 PolarHBondContact O-N 3.48Å; T214-T218 PolarHBondContact O-OG1 3.39Å; L215-T218 PolarHBondContact O-N 3.13Å; V216-T218 PolarHBondContact O-N 3.48Å; T218-H221 PolarHBondContact O-N 3.08Å; T218-L222 HydrophobicContact CG2-CD1 4.21Å; T218-L222 WeakPolarHBondContact O-CG 3.45Å; T218-L222 PolarHBondContact O-N 2.85Å
219N97Very high97.6Very high73 Ų7370.1 Ų70.139%0.3937%0.367SS..Hα-helixtrans-64.7-43.7176.2-71.2-9.8000110.9L215 V216 H221 L222 D223L215-N219 WeakPolarHBondContact O-CB 3.19Å; L215-N219 VanDerWaalsContact O-CG 3.24Å; L215-N219 PolarHBondContact O-N 3.06Å; V216-N219 PolarHBondContact O-N 2.87Å; N219-H221 VanDerWaalsContact C-N 3.31Å; N219-H221 PolarHBondContact O-N 3.12Å; N219-L222 PolarHBondContact O-N 2.92Å; N219-D223 WeakPolarHBondContact O-CB 3.43Å; N219-D223 VanDerWaalsContact O-CG 3.28Å; N219-D223 PolarHBondContact O-N 3.18Å
220A98Very high97.5Very high57 Ų5767.7 Ų67.747%0.47135%0.353SS..Hα-helixtrans-60.3-39.8175.500000112.5V216 A217 D223 H224V216-A220 WeakPolarHBondContact O-CB 3.23Å; V216-A220 PolarHBondContact O-N 2.94Å; A217-A220 PolarHBondContact O-N 3.21Å; A220-D223 PolarHBondContact O-N 3.49Å; A220-H224 WeakPolarHBondContact O-CB 3.34Å; A220-H224 PolarHBondContact O-N 3.08Å
221H98Very high97.4Very high42 Ų4265.5 Ų65.519%0.19435%0.349CS..Hα-helixtrans-67.4-42.2175.5-169.7-177.4000112V137 S140 A217 T218 N219 H224 Y225V137-H221 WeakPolarHBondContact CG2-NE2 3.38Å; V137-H221 PolarHBondContact N-CE1 3.39Å; S140-H221 PolarHBondContact OG-ND1 3.18Å; A217-H221 PolarHBondContact O-N 3.41Å; T218-H221 PolarHBondContact O-N 3.08Å; N219-H221 VanDerWaalsContact C-N 3.31Å; N219-H221 PolarHBondContact O-N 3.12Å; H221-H224 PolarHBondContact O-N 2.82Å; H221-Y225 WeakPolarHBondContact O-CB 3.45Å; H221-Y225 PolarHBondContact O-N 3.14Å
222L96.8Very high97.3Very high35 Ų3566 Ų6618%0.18336%0.363CS..Hα-helixtrans-61.1-44.7174.3-79165.5000111.6V137 V141 T218 N219 Y225 Y226V137-L222 HydrophobicContact CG1-CD2 3.49Å; V137-L222 VanDerWaalsContact CG1-CD2 3.49Å; V137-L222 HydrophobicContact CG1-CG 4.19Å; V141-L222 HydrophobicContact CG2-CD1 4.4Å; T218-L222 HydrophobicContact CG2-CD1 4.21Å; T218-L222 WeakPolarHBondContact O-CG 3.45Å; T218-L222 PolarHBondContact O-N 2.85Å; N219-L222 PolarHBondContact O-N 2.92Å; L222-Y225 PolarHBondContact O-N 3.43Å; L222-Y226 HydrophobicContact CD2-CE2 4.23Å; L222-Y226 VanDerWaalsContact O-CD2 3.22Å; L222-Y226 WeakPolarHBondContact O-CD2 3.18Å; L222-Y226 PolarHBondContact O-N 2.85Å; L222-Y226 VanDerWaalsContact O-N 3.08Å
223D97.8Very high97.2Very high102 Ų10264.3 Ų64.355%0.54535%0.354SS..Hα-helixtrans-62.1-46.1177.6-71.2-21.9000110.7N219 A220 Y225 Y226 Q227N219-D223 WeakPolarHBondContact O-CB 3.43Å; N219-D223 VanDerWaalsContact O-CG 3.28Å; N219-D223 PolarHBondContact O-N 3.18Å; A220-D223 PolarHBondContact O-N 3.49Å; D223-Y225 PolarHBondContact O-N 3.33Å; D223-Y226 PolarHBondContact O-N 3.34Å; D223-Q227 VanDerWaalsContact O-CB 3.3Å; D223-Q227 WeakPolarHBondContact O-CB 3.36Å; D223-Q227 VanDerWaalsContact O-CG 3.25Å; D223-Q227 WeakPolarHBondContact O-CG 3.45Å; D223-Q227 PolarHBondContact O-N 3.31Å
224H97.8Very high96.9Very high93 Ų9361.8 Ų61.843%0.43134%0.341SS..Hα-helixtrans-61.5-43.6176.5-173.462.8000112.6A220 H221 Y226 E228 E229A220-H224 WeakPolarHBondContact O-CB 3.34Å; A220-H224 PolarHBondContact O-N 3.08Å; H221-H224 PolarHBondContact O-N 2.82Å; H224-Y226 PolarHBondContact O-N 2.86Å; H224-E228 WeakPolarHBondContact O-CA 3.26Å; H224-E228 WeakPolarHBondContact O-CB 3.39Å; H224-E228 PolarHBondContact O-N 3.33Å; H224-E229 PolarHBondContact O-N 2.55Å; H224-E229 VanDerWaalsContact O-N 3.13Å
225Y97.8Very high96.7Very high0 Ų068.5 Ų68.50%037%0.369CS..Iπ-helixtrans-58.1-47177.1170.6-99000111.7F18 Q21 A133 Q134 V137 H221 L222 D223 L230F18-Y225 HydrophobicContact CE1-CD1 4.39Å; F18-Y225 AromaticContact CE1-CE1 3.63Å; F18-Y225 HydrophobicContact CE1-CE1 3.63Å; F18-Y225 AromaticContact CE1-CZ 3.88Å; F18-Y225 HydrophobicContact CZ-CE1 4.2Å; Q21-Y225 PolarHBondContact OE1-OH 3.05Å; A133-Y225 HydrophobicContact CB-CE2 4.38Å; Q134-Y225 HydrophobicContact CG-CE2 4.08Å; Q134-Y225 VanDerWaalsContact CG-OH 3.31Å; Q134-Y225 WeakPolarHBondContact CG-OH 3.17Å; Q134-Y225 PolarHBondContact NE2-OH 2.92Å; V137-Y225 HydrophobicContact CG2-CD2 3.84Å; V137-Y225 HydrophobicContact CG2-CG 3.81Å; H221-Y225 WeakPolarHBondContact O-CB 3.45Å; H221-Y225 PolarHBondContact O-N 3.14Å; L222-Y225 PolarHBondContact O-N 3.43Å; D223-Y225 PolarHBondContact O-N 3.33Å; Y225-L230 HydrophobicContact CE1-CB 4.31Å; Y225-L230 HydrophobicContact CE1-CD2 4.16Å; Y225-L230 HydrophobicContact CE2-CB 4.26Å; Y225-L230 WeakPolarHBondContact O-CB 3.49Å; Y225-L230 PolarHBondContact O-N 3Å
226Y96.9Very high96.4Very high91 Ų9168.8 Ų68.836%0.35738%0.378SS..Iπ-helixtrans-78.8-33.5-175.9-78.7-67.4000114.1L222 D223 H224 L230 P231L222-Y226 HydrophobicContact CD2-CE2 4.23Å; L222-Y226 VanDerWaalsContact O-CD2 3.22Å; L222-Y226 WeakPolarHBondContact O-CD2 3.18Å; L222-Y226 PolarHBondContact O-N 2.85Å; L222-Y226 VanDerWaalsContact O-N 3.08Å; D223-Y226 PolarHBondContact O-N 3.34Å; H224-Y226 PolarHBondContact O-N 2.86Å; Y226-L230 HydrophobicContact CD1-CD2 4.11Å; Y226-L230 HydrophobicContact CE1-CD2 4.33Å; Y226-P231 WeakPolarHBondContact O-CD 3.38Å
227Q97.5Very high96Very high137 Ų13764.4 Ų64.464%0.6435%0.351SS*.Iπ-helixtrans-87.6-31.9-176.6-61.5-63.2-18.900112.9D223D223-Q227 VanDerWaalsContact O-CB 3.3Å; D223-Q227 WeakPolarHBondContact O-CB 3.36Å; D223-Q227 VanDerWaalsContact O-CG 3.25Å; D223-Q227 WeakPolarHBondContact O-CG 3.45Å; D223-Q227 PolarHBondContact O-N 3.31Å
228E96.6Very high95.6Very high120 Ų12063.7 Ų63.756%0.56134%0.34SS*.Iπ-helixtrans-121.2-60-170.7-57.6-63.7155.700112.3H224 P231 A232H224-E228 WeakPolarHBondContact O-CA 3.26Å; H224-E228 WeakPolarHBondContact O-CB 3.39Å; H224-E228 PolarHBondContact O-N 3.33Å; E228-P231 WeakPolarHBondContact O-CD 3.42Å; E228-A232 VanDerWaalsContact O-CB 3.24Å; E228-A232 WeakPolarHBondContact O-CB 3.46Å; E228-A232 PolarHBondContact O-N 2.78Å
229E96.9Very high95.1Very high51 Ų5166.4 Ų66.424%0.23836%0.359CS..Iπ-helixtrans-69.6-48.7-168.8-60.8-170.9126.500113.3H224 A232 L233H224-E229 PolarHBondContact O-N 2.55Å; H224-E229 VanDerWaalsContact O-N 3.13Å; E229-A232 PolarHBondContact O-N 3.41Å; E229-L233 WeakPolarHBondContact O-CB 3.5Å; E229-L233 VanDerWaalsContact O-CG 3.26Å; E229-L233 WeakPolarHBondContact O-CG 3.47Å; E229-L233 PolarHBondContact O-N 3.39Å
230L95.4Very high94.5Very high23 Ų2367.4 Ų67.412%0.1236%0.361CS..Hα-helixtrans-62.3-48.2-179.317566.7000111.3L130 Y225 Y226 A232 L233 L234L130-L230 HydrophobicContact CD1-CD1 3.71Å; Y225-L230 HydrophobicContact CE1-CB 4.31Å; Y225-L230 HydrophobicContact CE1-CD2 4.16Å; Y225-L230 HydrophobicContact CE2-CB 4.26Å; Y225-L230 WeakPolarHBondContact O-CB 3.49Å; Y225-L230 PolarHBondContact O-N 3Å; Y226-L230 HydrophobicContact CD1-CD2 4.11Å; Y226-L230 HydrophobicContact CE1-CD2 4.33Å; L230-A232 VanDerWaalsContact C-N 3.34Å; L230-A232 PolarHBondContact O-N 3.01Å; L230-L233 PolarHBondContact O-N 2.95Å; L230-L234 HydrophobicContact CD1-CD1 3.86Å; L230-L234 HydrophobicContact CD1-CG 3.97Å; L230-L234 HydrophobicContact CG-CD1 4.02Å; L230-L234 HydrophobicContact CG-CG 4.47Å; L230-L234 WeakPolarHBondContact O-CB 3.33Å; L230-L234 VanDerWaalsContact O-CG 3.29Å; L230-L234 WeakPolarHBondContact O-CG 3.44Å; L230-L234 PolarHBondContact O-N 3.3Å
231P96.5Very high93.9Very high63 Ų6365 Ų6541%0.40934%0.341SS..Hα-helixtrans-57.4-42.7172.2-27.136.6000113.5Y226 E228 L234 K235Y226-P231 WeakPolarHBondContact O-CD 3.38Å; E228-P231 WeakPolarHBondContact O-CD 3.42Å; P231-L234 PolarHBondContact O-N 2.92Å; P231-K235 WeakPolarHBondContact O-CB 3.38Å; P231-K235 PolarHBondContact O-N 3.46Å
232A96.4Very high93.2Very high59 Ų5965.6 Ų65.649%0.48835%0.35SS..Hα-helixtrans-64.7-45.8179.800000112.3E228 E229 L230 K235 A236E228-A232 VanDerWaalsContact O-CB 3.24Å; E228-A232 WeakPolarHBondContact O-CB 3.46Å; E228-A232 PolarHBondContact O-N 2.78Å; E229-A232 PolarHBondContact O-N 3.41Å; L230-A232 VanDerWaalsContact C-N 3.34Å; L230-A232 PolarHBondContact O-N 3.01Å; A232-K235 PolarHBondContact O-N 3.43Å; A232-A236 WeakPolarHBondContact O-CB 3.38Å; A232-A236 PolarHBondContact O-N 3Å
233L94.8Very high92.5Very high51 Ų5168.2 Ų68.227%0.26736%0.361SS..Hα-helixtrans-62.8-44.7177-71.9171.5000111.7N129 L130 A133 E229 L230 L237N129-L233 HydrophobicContact CB-CD2 4.08Å; L130-L233 HydrophobicContact CD1-CD1 4.33Å; A133-L233 HydrophobicContact CB-CD1 4.02Å; E229-L233 WeakPolarHBondContact O-CB 3.5Å; E229-L233 VanDerWaalsContact O-CG 3.26Å; E229-L233 WeakPolarHBondContact O-CG 3.47Å; E229-L233 PolarHBondContact O-N 3.39Å; L230-L233 PolarHBondContact O-N 2.95Å; L233-L237 WeakPolarHBondContact O-CB 3.48Å; L233-L237 PolarHBondContact O-N 2.93Å
234L92.6Very high91.8Very high66 Ų6665.6 Ų65.635%0.34635%0.345SS..Hα-helixtrans-66.6-40.1177.3-71.2178.1000111.9L230 P231 L237 V238L230-L234 HydrophobicContact CD1-CD1 3.86Å; L230-L234 HydrophobicContact CD1-CG 3.97Å; L230-L234 HydrophobicContact CG-CD1 4.02Å; L230-L234 HydrophobicContact CG-CG 4.47Å; L230-L234 WeakPolarHBondContact O-CB 3.33Å; L230-L234 VanDerWaalsContact O-CG 3.29Å; L230-L234 WeakPolarHBondContact O-CG 3.44Å; L230-L234 PolarHBondContact O-N 3.3Å; P231-L234 PolarHBondContact O-N 2.92Å; L234-L237 PolarHBondContact O-N 3.01Å; L234-V238 WeakPolarHBondContact O-CB 3.43Å; L234-V238 WeakPolarHBondContact O-CG2 3.49Å; L234-V238 PolarHBondContact O-N 3.38Å
235K93Very high91Very high161 Ų16162.4 Ų62.470%0.733%0.331SS*.Hα-helixtrans-60.7-49.3176.8-177.5178.4178.5-178.60111.1P231 A232 L237 V238 S239P231-K235 WeakPolarHBondContact O-CB 3.38Å; P231-K235 PolarHBondContact O-N 3.46Å; A232-K235 PolarHBondContact O-N 3.43Å; K235-L237 VanDerWaalsContact C-N 3.35Å; K235-L237 PolarHBondContact O-N 2.94Å; K235-V238 PolarHBondContact O-N 3.07Å; K235-S239 WeakPolarHBondContact O-CB 3.49Å; K235-S239 PolarHBondContact O-N 3.45Å; K235-S239 PolarHBondContact O-OG 3.47Å
236A91.8Very high90.6Very high54 Ų5469.1 Ų69.145%0.44636%0.356SS..Hα-helixtrans-59.3-46.1178.900000111.8A232 S239 E240A232-A236 WeakPolarHBondContact O-CB 3.38Å; A232-A236 PolarHBondContact O-N 3Å; A236-S239 PolarHBondContact O-OG 2.96Å; A236-E240 WeakPolarHBondContact O-CB 3.44Å; A236-E240 PolarHBondContact O-N 3.02Å
237L89.5Confident90.2Very high10 Ų1069.2 Ų69.25%0.05236%0.363CS..Hα-helixtrans-62-48.7177.7-178.958.8000111.7L25 V122 L123 L233 L234 K235 L241L25-L237 HydrophobicContact CD1-CD2 3.83Å; L25-L237 HydrophobicContact CD2-CD2 3.96Å; L25-L237 HydrophobicContact CG-CD2 4.42Å; V122-L237 HydrophobicContact CG1-CD1 4.05Å; L123-L237 HydrophobicContact CD2-CD1 4.38Å; L233-L237 WeakPolarHBondContact O-CB 3.48Å; L233-L237 PolarHBondContact O-N 2.93Å; L234-L237 PolarHBondContact O-N 3.01Å; K235-L237 VanDerWaalsContact C-N 3.35Å; K235-L237 PolarHBondContact O-N 2.94Å; L237-L241 HydrophobicContact CD1-CD1 3.86Å; L237-L241 HydrophobicContact CD1-CG 4.17Å; L237-L241 HydrophobicContact CG-CD1 3.84Å; L237-L241 VanDerWaalsContact O-CB 3.29Å; L237-L241 WeakPolarHBondContact O-CB 3.26Å; L237-L241 WeakPolarHBondContact O-CD1 3.39Å; L237-L241 WeakPolarHBondContact O-CG 3.47Å; L237-L241 PolarHBondContact O-N 3.21Å
238V88Confident89.8Confident47 Ų4762.9 Ų62.929%0.28533%0.334SS..Hα-helixtrans-66.8-39.6-177.8171.30000111.8L234 K235 S242L234-V238 WeakPolarHBondContact O-CB 3.43Å; L234-V238 WeakPolarHBondContact O-CG2 3.49Å; L234-V238 PolarHBondContact O-N 3.38Å; K235-V238 PolarHBondContact O-N 3.07Å; V238-S242 VanDerWaalsContact O-CB 3.31Å; V238-S242 WeakPolarHBondContact O-CB 3.33Å; V238-S242 PolarHBondContact O-N 2.89Å; V238-S242 PolarHBondContact O-OG 3.31Å
239S88.2Confident89.6Confident59 Ų5961.5 Ų61.541%0.41333%0.33SS..Hα-helixtrans-63.2-48.4178.453.10000111.7K235 A236 L241 S242 E243K235-S239 WeakPolarHBondContact O-CB 3.49Å; K235-S239 PolarHBondContact O-N 3.45Å; K235-S239 PolarHBondContact O-OG 3.47Å; A236-S239 PolarHBondContact O-OG 2.96Å; S239-L241 VanDerWaalsContact C-N 3.32Å; S239-L241 PolarHBondContact O-N 3.16Å; S239-S242 PolarHBondContact O-N 3.44Å; S239-S242 PolarHBondContact O-OG 3.02Å; S239-E243 PolarHBondContact O-N 3.44Å
240E85.3Confident89.4Confident95 Ų9562.1 Ų62.144%0.44434%0.337SS..Hα-helixtrans-66.1-37.4-178.4-163.3172.2-168.800111.3V122 A236 H244V122-E240 HydrophobicContact CG1-CB 3.93Å; V122-E240 HydrophobicContact CG1-CG 3.79Å; V122-E240 HydrophobicContact CG2-CG 3.85Å; A236-E240 WeakPolarHBondContact O-CB 3.44Å; A236-E240 PolarHBondContact O-N 3.02Å; E240-H244 PolarHBondContact O-CD2 3.42Å
241L83.7Confident89.3Confident6 Ų663.1 Ų63.13%0.03135%0.346CS..Hα-helixtrans-65.3-39.6173.1-76.2176000113.8K119 V122 L123 L237 S239 H244 L245K119-L241 HydrophobicContact CD-CD2 4.14Å; K119-L241 HydrophobicContact CG-CD2 3.47Å; K119-L241 VanDerWaalsContact CG-CD2 3.47Å; V122-L241 HydrophobicContact CG1-CD2 4.28Å; V122-L241 HydrophobicContact CG1-CG 4.33Å; L123-L241 HydrophobicContact CD1-CD2 4.11Å; L123-L241 HydrophobicContact CD2-CD1 3.65Å; L123-L241 HydrophobicContact CD2-CD2 3.96Å; L123-L241 HydrophobicContact CD2-CG 4.36Å; L123-L241 HydrophobicContact CG-CD1 4.38Å; L123-L241 HydrophobicContact CG-CD2 3.75Å; L237-L241 HydrophobicContact CD1-CD1 3.86Å; L237-L241 HydrophobicContact CD1-CG 4.17Å; L237-L241 HydrophobicContact CG-CD1 3.84Å; L237-L241 VanDerWaalsContact O-CB 3.29Å; L237-L241 WeakPolarHBondContact O-CB 3.26Å; L237-L241 WeakPolarHBondContact O-CD1 3.39Å; L237-L241 WeakPolarHBondContact O-CG 3.47Å; L237-L241 PolarHBondContact O-N 3.21Å; S239-L241 VanDerWaalsContact C-N 3.32Å; S239-L241 PolarHBondContact O-N 3.16Å; L241-H244 PolarHBondContact O-N 2.93Å; L241-L245 PolarHBondContact O-N 3.26Å
242S83.9Confident89.2Confident55 Ų5561.2 Ų61.239%0.38533%0.333SS..Hα-helixtrans-67.6-35.6-176.663.70000112.7V238 S239 L245 R246V238-S242 VanDerWaalsContact O-CB 3.31Å; V238-S242 WeakPolarHBondContact O-CB 3.33Å; V238-S242 PolarHBondContact O-N 2.89Å; V238-S242 PolarHBondContact O-OG 3.31Å; S239-S242 PolarHBondContact O-N 3.44Å; S239-S242 PolarHBondContact O-OG 3.02Å; S242-L245 PolarHBondContact O-N 3Å; S242-R246 WeakPolarHBondContact O-CB 3.46Å; S242-R246 PolarHBondContact O-N 3.38Å
243E81.9Confident89.1Confident89 Ų8962.1 Ų62.142%0.41634%0.335SS..Hα-helixtrans-63.1-43.8174.6-65.1-60155.300110.7S239 L245 R246 D247S239-E243 PolarHBondContact O-N 3.44Å; E243-L245 VanDerWaalsContact C-N 3.26Å; E243-L245 PolarHBondContact O-N 3.06Å; E243-R246 WeakPolarHBondContact O-CB 3.35Å; E243-R246 PolarHBondContact O-N 3.28Å; E243-R246 VanDerWaalsContact O-N 3.08Å; E243-R246 IonicContact OE1-NH1 3.79Å; E243-R246 IonicContact OE2-NH1 2.93Å; E243-R246 PolarHBondContact OE2-NH1 3.2Å; E243-R246 VanDerWaalsContact OE2-NH1 3.1Å; E243-D247 PolarHBondContact O-N 3.02Å; E243-D247 VanDerWaalsContact O-N 3.12Å
244H82.9Confident89.2Confident47 Ų4767.1 Ų67.122%0.21835%0.351CS..Hα-helixtrans-64.6-24.2177.6-70.5-47.8000114.9E240 L241 P248E240-H244 PolarHBondContact O-CD2 3.42Å; L241-H244 PolarHBondContact O-N 2.93Å; H244-P248 WeakPolarHBondContact O-CD 3.48Å
245L82.4Confident89.4Confident26 Ų2664.3 Ų64.314%0.13634%0.336CS..Hα-helixtrans-84.9-30.1172.9-76.5169.5000112.5E32 L35 L36 L241 S242 E243 L249E32-L245 HydrophobicContact CB-CD1 4.28Å; E32-L245 HydrophobicContact CG-CD1 4.26Å; L35-L245 HydrophobicContact CD2-CD2 4.27Å; L36-L245 HydrophobicContact CD1-CD2 4.45Å; L36-L245 HydrophobicContact CD2-CD2 3.73Å; L36-L245 HydrophobicContact CG-CD2 3.8Å; L241-L245 PolarHBondContact O-N 3.26Å; S242-L245 PolarHBondContact O-N 3Å; E243-L245 VanDerWaalsContact C-N 3.26Å; E243-L245 PolarHBondContact O-N 3.06Å; L245-L249 WeakPolarHBondContact O-CG 3.48Å
246R88.1Confident89.5Confident141 Ų14159.1 Ų59.153%0.53231%0.314SS..Hα-helixtrans-71.2-39.6-178.9176.2-174.7161.7-159.4-1.7111.9S242 E243 L249 T250S242-R246 WeakPolarHBondContact O-CB 3.46Å; S242-R246 PolarHBondContact O-N 3.38Å; E243-R246 WeakPolarHBondContact O-CB 3.35Å; E243-R246 PolarHBondContact O-N 3.28Å; E243-R246 VanDerWaalsContact O-N 3.08Å; E243-R246 IonicContact OE1-NH1 3.79Å; E243-R246 IonicContact OE2-NH1 2.93Å; E243-R246 PolarHBondContact OE2-NH1 3.2Å; E243-R246 VanDerWaalsContact OE2-NH1 3.1Å; R246-L249 PolarHBondContact O-N 3.44Å; R246-T250 WeakPolarHBondContact O-CB 3.45Å; R246-T250 PolarHBondContact O-N 2.79Å; R246-T250 PolarHBondContact O-OG1 3.21Å
247D88.4Confident89.7Confident93 Ų9361.2 Ų61.250%0.49732%0.318SS..Hα-helixtrans-59.5-49.3-174.8-65.9-25.2000112.8E243 L249 T250 S251E243-D247 PolarHBondContact O-N 3.02Å; E243-D247 VanDerWaalsContact O-N 3.12Å; D247-L249 PolarHBondContact O-N 3.37Å; D247-T250 PolarHBondContact O-N 2.92Å; D247-S251 WeakPolarHBondContact O-CB 3.41Å; D247-S251 PolarHBondContact O-N 3.1Å
248P90.4Very high90Very high5 Ų563.2 Ų63.23%0.03233%0.326CS..Hα-helixtrans-60-43.3176.3-25.836.1000113.4L36 I39 L110 H244 T250 S251 L252L36-P248 HydrophobicContact CD2-CG 4.41Å; I39-P248 HydrophobicContact CG2-CB 4Å; L110-P248 HydrophobicContact CD1-CB 3.95Å; L110-P248 HydrophobicContact CD1-CG 4.49Å; H244-P248 WeakPolarHBondContact O-CD 3.48Å; P248-T250 VanDerWaalsContact C-N 3.34Å; P248-T250 PolarHBondContact O-N 3.14Å; P248-S251 PolarHBondContact O-N 3.48Å; P248-L252 WeakPolarHBondContact O-CG 3.46Å; P248-L252 PolarHBondContact O-N 3.14Å
249L91.4Very high90.3Very high90 Ų9061.1 Ų61.147%0.47131%0.314SS..Hα-helixtrans-65.3-39.8-179.7-66.7174.1000111.9I39 L245 R246 D247 L252 S253I39-L249 HydrophobicContact CD1-CD2 3.92Å; I39-L249 HydrophobicContact CD1-CG 4.3Å; I39-L249 HydrophobicContact CG1-CD2 4.45Å; L245-L249 WeakPolarHBondContact O-CG 3.48Å; R246-L249 PolarHBondContact O-N 3.44Å; D247-L249 PolarHBondContact O-N 3.37Å; L249-L252 PolarHBondContact O-N 3.31Å; L249-S253 PolarHBondContact O-N 2.97Å; L249-S253 VanDerWaalsContact O-N 3.13Å; L249-S253 PolarHBondContact O-OG 2.97Å
250T93.1Very high90.7Very high64 Ų6460.7 Ų60.739%0.39331%0.314SS..Hα-helixtrans-68.2-39.1176.8-53.10000111R246 D247 P248 S253 R254R246-T250 WeakPolarHBondContact O-CB 3.45Å; R246-T250 PolarHBondContact O-N 2.79Å; R246-T250 PolarHBondContact O-OG1 3.21Å; D247-T250 PolarHBondContact O-N 2.92Å; P248-T250 VanDerWaalsContact C-N 3.34Å; P248-T250 PolarHBondContact O-N 3.14Å; T250-S253 PolarHBondContact O-OG 3.01Å; T250-S253 VanDerWaalsContact O-OG 3.05Å; T250-R254 WeakPolarHBondContact O-CB 3.08Å; T250-R254 PolarHBondContact O-N 2.89Å
251S92.9Very high91.2Very high45 Ų4561.3 Ų61.332%0.31532%0.317SS..Hα-helixtrans-64.3-41.3175.8-178.30000112D247 P248 T255D247-S251 WeakPolarHBondContact O-CB 3.41Å; D247-S251 PolarHBondContact O-N 3.1Å; P248-S251 PolarHBondContact O-N 3.48Å; S251-T255 WeakPolarHBondContact O-CB 3.42Å; S251-T255 PolarHBondContact O-N 3.02Å; S251-T255 PolarHBondContact O-OG1 2.98Å
252L93.9Very high91.6Very high23 Ų2363.2 Ų63.212%0.1233%0.329CS..Hα-helixtrans-59.5-53175.1-73.4175.9000111.7I39 Y42 Y107 L110 P248 L249 R254 T255 E256I39-L252 HydrophobicContact CG2-CD1 4.26Å; Y42-L252 HydrophobicContact CD1-CD1 4.32Å; Y42-L252 HydrophobicContact CE1-CD1 4.36Å; Y42-L252 HydrophobicContact CE1-CD2 4.4Å; Y107-L252 HydrophobicContact CD1-CD2 3.51Å; Y107-L252 HydrophobicContact CE1-CD2 3.41Å; Y107-L252 VanDerWaalsContact CE1-CD2 3.41Å; L110-L252 HydrophobicContact CD2-CD1 4.43Å; L110-L252 HydrophobicContact CD2-CD2 3.5Å; L110-L252 HydrophobicContact CD2-CG 3.59Å; P248-L252 WeakPolarHBondContact O-CG 3.46Å; P248-L252 PolarHBondContact O-N 3.14Å; L249-L252 PolarHBondContact O-N 3.31Å; L252-R254 PolarHBondContact O-N 3.49Å; L252-T255 PolarHBondContact O-N 2.94Å; L252-E256 PolarHBondContact O-N 3.3Å
253S95.4Very high92Very high77 Ų7763.5 Ų63.554%0.53833%0.328SS..Hα-helixtrans-64.8-41-177.860.90000112.3L249 T250 T255 E256 L257L249-S253 PolarHBondContact O-N 2.97Å; L249-S253 VanDerWaalsContact O-N 3.13Å; L249-S253 PolarHBondContact O-OG 2.97Å; T250-S253 PolarHBondContact O-OG 3.01Å; T250-S253 VanDerWaalsContact O-OG 3.05Å; S253-T255 VanDerWaalsContact C-N 3.33Å; S253-T255 PolarHBondContact O-N 3.27Å; S253-E256 PolarHBondContact O-N 3.4Å; S253-L257 PolarHBondContact O-N 2.92Å
254R96.4Very high92.6Very high157 Ų15764 Ų6459%0.59233%0.333SS*.Hα-helixtrans-63.7-38177.5-174.6174.5-175.9159.78.9112.4T250 L252 L257 E258T250-R254 WeakPolarHBondContact O-CB 3.08Å; T250-R254 PolarHBondContact O-N 2.89Å; L252-R254 PolarHBondContact O-N 3.49Å; R254-L257 PolarHBondContact O-N 3.47Å; R254-E258 HydrophobicContact CG-CG 4.33Å; R254-E258 VanDerWaalsContact CG-OE1 3.28Å; R254-E258 WeakPolarHBondContact CG-OE1 3.48Å; R254-E258 IonicContact CZ-OE1 3.89Å; R254-E258 IonicContact NE-OE1 3.78Å; R254-E258 PolarHBondContact NE-OE1 3.4Å; R254-E258 IonicContact NH2-OE1 3.1Å; R254-E258 WeakPolarHBondContact O-CG 3.4Å; R254-E258 PolarHBondContact O-N 3Å
255T96.1Very high93.2Very high6 Ų666.9 Ų66.94%0.03735%0.347CS..Hα-helixtrans-64.2-42.1178.2-600000111.7A103 R106 Y107 S251 L252 S253 A259A103-T255 HydrophobicContact CB-CG2 3.7Å; R106-T255 HydrophobicContact CB-CG2 4.14Å; Y107-T255 HydrophobicContact CE1-CG2 3.93Å; Y107-T255 HydrophobicContact CE2-CG2 4.02Å; S251-T255 WeakPolarHBondContact O-CB 3.42Å; S251-T255 PolarHBondContact O-N 3.02Å; S251-T255 PolarHBondContact O-OG1 2.98Å; L252-T255 PolarHBondContact O-N 2.94Å; S253-T255 VanDerWaalsContact C-N 3.33Å; S253-T255 PolarHBondContact O-N 3.27Å; T255-A259 WeakPolarHBondContact O-CB 3.34Å; T255-A259 PolarHBondContact O-N 3.47Å; T255-A259 VanDerWaalsContact O-N 3.17Å
256E95.1Very high93.6Very high52 Ų5267.4 Ų67.424%0.24335%0.348CS..Hα-helixtrans-66.6-40.7173.7-72.7-55152.800112.5R46 R100 Y107 L252 S253 A259 A260R46-E256 IonicContact CZ-OE1 3.88Å; R46-E256 VanDerWaalsContact CZ-OE1 3.27Å; R46-E256 IonicContact NE-OE1 3.03Å; R46-E256 PolarHBondContact NE-OE1 3.09Å; R46-E256 VanDerWaalsContact NH2-CD 3.35Å; R46-E256 IonicContact NH2-OE1 3.78Å; R46-E256 PolarHBondContact NH2-OE1 2.82Å; R46-E256 IonicContact NH2-OE2 2.82Å; R46-E256 PolarHBondContact NH2-OE2 3.38Å; R100-E256 IonicContact NH1-OE2 3.55Å; R100-E256 PolarHBondContact NH1-OE2 3.34Å; Y107-E256 WeakPolarHBondContact OH-CG 3.35Å; Y107-E256 PolarHBondContact OH-OE1 2.93Å; L252-E256 PolarHBondContact O-N 3.3Å; S253-E256 PolarHBondContact O-N 3.4Å; E256-A259 PolarHBondContact O-N 3.34Å; E256-A260 WeakPolarHBondContact O-CB 3.48Å; E256-A260 PolarHBondContact O-N 3.44Å
257L97.1Very high93.7Very high99 Ų9963.4 Ų63.452%0.51835%0.345SS..Hα-helixtrans-60.7-52.3179.5-179.863.6000111.2S253 R254 A259 A260 E261S253-L257 PolarHBondContact O-N 2.92Å; R254-L257 PolarHBondContact O-N 3.47Å; L257-A259 VanDerWaalsContact C-N 3.25Å; L257-A259 PolarHBondContact O-N 3.08Å; L257-A260 PolarHBondContact O-N 2.94Å; L257-A260 VanDerWaalsContact O-N 3.09Å; L257-E261 HydrophobicContact CD1-CG 4.38Å; L257-E261 WeakPolarHBondContact O-CG 3.46Å; L257-E261 PolarHBondContact O-N 2.84Å
258E95.8Very high94Very high51 Ų5163.8 Ų63.824%0.23834%0.344CS..Hα-helixtrans-61.2-36.6179.6-70.4178.7-161.700111.3R106 R254 V262R106-E258 IonicContact CZ-OE2 3.63Å; R106-E258 IonicContact NH1-OE2 3.72Å; R106-E258 PolarHBondContact NH1-OE2 3.1Å; R106-E258 IonicContact NH2-OE2 3Å; R106-E258 PolarHBondContact NH2-OE2 3.31Å; R254-E258 HydrophobicContact CG-CG 4.33Å; R254-E258 VanDerWaalsContact CG-OE1 3.28Å; R254-E258 WeakPolarHBondContact CG-OE1 3.48Å; R254-E258 IonicContact CZ-OE1 3.89Å; R254-E258 IonicContact NE-OE1 3.78Å; R254-E258 PolarHBondContact NE-OE1 3.4Å; R254-E258 IonicContact NH2-OE1 3.1Å; R254-E258 WeakPolarHBondContact O-CG 3.4Å; R254-E258 PolarHBondContact O-N 3Å; E258-V262 WeakPolarHBondContact O-CG2 3.41Å; E258-V262 PolarHBondContact O-N 3.31Å
259A94.6Very high93.9Very high3 Ų369 Ų693%0.02536%0.363CS..Hα-helixtrans-67.5-37.1175.600000113T99 T255 E256 L257 V263T99-A259 HydrophobicContact CG2-CB 3.87Å; T255-A259 WeakPolarHBondContact O-CB 3.34Å; T255-A259 PolarHBondContact O-N 3.47Å; T255-A259 VanDerWaalsContact O-N 3.17Å; E256-A259 PolarHBondContact O-N 3.34Å; L257-A259 VanDerWaalsContact C-N 3.25Å; L257-A259 PolarHBondContact O-N 3.08Å; A259-V263 WeakPolarHBondContact O-CG2 3.48Å; A259-V263 PolarHBondContact O-N 3.47Å
260A95.3Very high93.8Very high50 Ų5064.8 Ų64.841%0.41334%0.342SS..Hα-helixtrans-71-40.5177.900000112.2E256 L257 V262 V263 L264E256-A260 WeakPolarHBondContact O-CB 3.48Å; E256-A260 PolarHBondContact O-N 3.44Å; L257-A260 PolarHBondContact O-N 2.94Å; L257-A260 VanDerWaalsContact O-N 3.09Å; A260-V262 PolarHBondContact O-N 3.25Å; A260-V263 PolarHBondContact O-N 2.94Å; A260-L264 WeakPolarHBondContact O-CB 3.3Å; A260-L264 PolarHBondContact O-N 3.2Å
261E95.9Very high93.7Very high108 Ų10867.7 Ų67.751%0.50535%0.351SS..Hα-helixtrans-59.3-46.7178.9-74.7173.4166.900111.9L257 V263 L264 E265L257-E261 HydrophobicContact CD1-CG 4.38Å; L257-E261 WeakPolarHBondContact O-CG 3.46Å; L257-E261 PolarHBondContact O-N 2.84Å; E261-V263 PolarHBondContact O-N 3.37Å; E261-L264 PolarHBondContact O-N 2.8Å; E261-E265 PolarHBondContact O-N 3.42Å
262V93.5Very high93.6Very high47 Ų4771 Ų7129%0.28536%0.361SS..Hα-helixtrans-63.2-43.5178.31740000111.3T99 E258 A260 L264 E265 H266T99-V262 HydrophobicContact CG2-CB 4.14Å; T99-V262 HydrophobicContact CG2-CG1 4.34Å; T99-V262 HydrophobicContact CG2-CG2 4.49Å; T99-V262 WeakPolarHBondContact OG1-CG1 3.1Å; E258-V262 WeakPolarHBondContact O-CG2 3.41Å; E258-V262 PolarHBondContact O-N 3.31Å; A260-V262 PolarHBondContact O-N 3.25Å; V262-L264 VanDerWaalsContact C-N 3.31Å; V262-L264 PolarHBondContact O-N 3.45Å; V262-E265 PolarHBondContact O-N 2.92Å; V262-H266 PolarHBondContact O-CD2 3.49Å; V262-H266 PolarHBondContact O-N 3.26Å; V262-H266 VanDerWaalsContact O-N 3.08Å
263V91.8Very high93.3Very high61 Ų6170.9 Ų70.937%0.3736%0.361SS..Hα-helixtrans-62.4-41.2177.3171.50000111.1A259 A260 E261 H266 A267A259-V263 WeakPolarHBondContact O-CG2 3.48Å; A259-V263 PolarHBondContact O-N 3.47Å; A260-V263 PolarHBondContact O-N 2.94Å; E261-V263 PolarHBondContact O-N 3.37Å; V263-H266 PolarHBondContact O-N 2.98Å; V263-A267 WeakPolarHBondContact O-CB 3.42Å; V263-A267 PolarHBondContact O-N 3.22Å
264L94.8Very high92.9Very high100 Ų10070.3 Ų70.352%0.52436%0.355SS..Hα-helixtrans-65.1-42.6178-177.165.8000111.7A260 E261 V262 H266 A267 H268A260-L264 WeakPolarHBondContact O-CB 3.3Å; A260-L264 PolarHBondContact O-N 3.2Å; E261-L264 PolarHBondContact O-N 2.8Å; V262-L264 VanDerWaalsContact C-N 3.31Å; V262-L264 PolarHBondContact O-N 3.45Å; L264-H266 VanDerWaalsContact C-N 3.34Å; L264-H266 PolarHBondContact O-N 2.96Å; L264-A267 PolarHBondContact O-N 3.41Å; L264-H268 PolarHBondContact O-CD2 3.29Å; L264-H268 PolarHBondContact O-N 3.31Å
265E94.4Very high92.6Very high106 Ų10667.1 Ų67.150%0.49536%0.357SS..Hα-helixtrans-58.9-46176.1-167.4-162.7144.200111.4E261 V262 H268 R269E261-E265 PolarHBondContact O-N 3.42Å; V262-E265 PolarHBondContact O-N 2.92Å; E265-H268 PolarHBondContact O-N 2.93Å; E265-R269 WeakPolarHBondContact O-CB 2.96Å; E265-R269 PolarHBondContact O-N 3.35Å; E265-R269 IonicContact OE1-CZ 3.3Å; E265-R269 IonicContact OE1-NH2 2.92Å; E265-R269 PolarHBondContact OE1-NH2 3.29Å
266H92.3Very high92.1Very high37 Ų3771 Ų7117%0.17137%0.374CS..Hα-helixtrans-66.1-37.4177.4-77.7-64.8000112.8A92 A95 V262 V263 L264 R269 G270A92-H266 HydrophobicContact CB-CB 3.83Å; A95-H266 VanDerWaalsContact CB-NE2 3.26Å; A95-H266 WeakPolarHBondContact CB-NE2 3.24Å; V262-H266 PolarHBondContact O-CD2 3.49Å; V262-H266 PolarHBondContact O-N 3.26Å; V262-H266 VanDerWaalsContact O-N 3.08Å; V263-H266 PolarHBondContact O-N 2.98Å; L264-H266 VanDerWaalsContact C-N 3.34Å; L264-H266 PolarHBondContact O-N 2.96Å; H266-R269 PolarHBondContact O-N 3.09Å; H266-G270 PolarHBondContact O-N 3.33Å
267A89.9Confident91.7Very high57 Ų5770.8 Ų70.847%0.47138%0.376SS..Hα-helixtrans-62.9-46.3175.600000111.6V263 L264 R269 G270 E271V263-A267 WeakPolarHBondContact O-CB 3.42Å; V263-A267 PolarHBondContact O-N 3.22Å; L264-A267 PolarHBondContact O-N 3.41Å; A267-R269 VanDerWaalsContact C-N 3.34Å; A267-R269 PolarHBondContact O-N 2.74Å; A267-G270 PolarHBondContact O-N 3.34Å; A267-E271 PolarHBondContact O-N 2.93Å
268H93.1Very high91.1Very high102 Ų10268 Ų6847%0.47237%0.366SS..Hα-helixtrans-62.7-39.7175.9-78.6-50.7000112.6L264 E265 G270 E271 Q272L264-H268 PolarHBondContact O-CD2 3.29Å; L264-H268 PolarHBondContact O-N 3.31Å; E265-H268 PolarHBondContact O-N 2.93Å; H268-G270 VanDerWaalsContact C-N 3.32Å; H268-G270 PolarHBondContact O-N 3.27Å; H268-E271 IonicContact ND1-OE2 3.31Å; H268-E271 PolarHBondContact O-N 2.88Å; H268-Q272 WeakPolarHBondContact O-CB 3.49Å; H268-Q272 PolarHBondContact O-N 3.34Å
269R90.1Very high90.5Very high114 Ų11474.2 Ų74.243%0.4339%0.387SS..Hα-helixtrans-62.6-41.5174.3-167.3-176.9-57.9-177.93111.5E265 H266 A267 Q272 T273E265-R269 WeakPolarHBondContact O-CB 2.96Å; E265-R269 PolarHBondContact O-N 3.35Å; E265-R269 IonicContact OE1-CZ 3.3Å; E265-R269 IonicContact OE1-NH2 2.92Å; E265-R269 PolarHBondContact OE1-NH2 3.29Å; H266-R269 PolarHBondContact O-N 3.09Å; A267-R269 VanDerWaalsContact C-N 3.34Å; A267-R269 PolarHBondContact O-N 2.74Å; R269-Q272 PolarHBondContact O-N 3.25Å; R269-T273 WeakPolarHBondContact O-CB 3.35Å; R269-T273 PolarHBondContact O-N 2.98Å; R269-T273 PolarHBondContact O-OG1 3.43Å
270G88.4Confident90Very high2 Ų278.6 Ų78.62%0.02141%0.407CS..Hα-helixtrans-58.2-51.9174.400000111.7H266 A267 H268 Q272 T273 T274H266-G270 PolarHBondContact O-N 3.33Å; A267-G270 PolarHBondContact O-N 3.34Å; H268-G270 VanDerWaalsContact C-N 3.32Å; H268-G270 PolarHBondContact O-N 3.27Å; G270-Q272 PolarHBondContact O-N 3.02Å; G270-T273 PolarHBondContact O-N 3.45Å; G270-T273 VanDerWaalsContact O-N 3.14Å; G270-T274 WeakPolarHBondContact O-CG2 3.33Å; G270-T274 PolarHBondContact O-N 2.98Å; G270-T274 PolarHBondContact O-OG1 2.91Å; G270-T274 VanDerWaalsContact O-OG1 3.08Å
271E90.7Very high89.2Confident124 Ų12479.5 Ų79.558%0.57940%0.402SS*.Hα-helixtrans-56.6-48.2177-176.2-178.3-166.300112.1A267 H268 T273 T274 S275A267-E271 PolarHBondContact O-N 2.93Å; H268-E271 IonicContact ND1-OE2 3.31Å; H268-E271 PolarHBondContact O-N 2.88Å; E271-T273 VanDerWaalsContact C-N 3.31Å; E271-T273 PolarHBondContact O-N 3.41Å; E271-T274 WeakPolarHBondContact CA-OG1 3.32Å; E271-T274 PolarHBondContact O-N 3.47Å; E271-T274 PolarHBondContact O-OG1 3.07Å; E271-S275 WeakPolarHBondContact O-CB 3.38Å; E271-S275 PolarHBondContact O-N 3.45Å; E271-S275 PolarHBondContact O-OG 2.89Å
272Q90.1Very high88.5Confident115 Ų11576.2 Ų76.254%0.53739%0.389SS..Hα-helixtrans-61.4-38.9177-177.51791000112.3H268 R269 G270 S275 Q276H268-Q272 WeakPolarHBondContact O-CB 3.49Å; H268-Q272 PolarHBondContact O-N 3.34Å; R269-Q272 PolarHBondContact O-N 3.25Å; G270-Q272 PolarHBondContact O-N 3.02Å; Q272-S275 WeakPolarHBondContact CA-OG 3.46Å; Q272-S275 PolarHBondContact O-OG 3.34Å; Q272-Q276 VanDerWaalsContact CG-NE2 3.3Å; Q272-Q276 VanDerWaalsContact O-CG 3.3Å; Q272-Q276 WeakPolarHBondContact O-CG 3.36Å; Q272-Q276 PolarHBondContact O-N 3.15Å; Q272-Q276 PolarHBondContact O-NE2 3.44Å
273T87.9Confident88Confident20 Ų2077.8 Ų77.812%0.12340%0.395CS..Hα-helixtrans-70.1-45.1178.7-50.80000110.2G79 A85 C88 R269 G270 E271 S275 Q276G79-T273 WeakPolarHBondContact O-CG2 3.27Å; A85-T273 HydrophobicContact CB-CG2 4.15Å; C88-T273 HydrophobicContact CB-CG2 4.03Å; C88-T273 PolarHBondContact SG-OG1 2.88Å; C88-T273 VanDerWaalsContact SG-OG1 3.38Å; R269-T273 WeakPolarHBondContact O-CB 3.35Å; R269-T273 PolarHBondContact O-N 2.98Å; R269-T273 PolarHBondContact O-OG1 3.43Å; G270-T273 PolarHBondContact O-N 3.45Å; G270-T273 VanDerWaalsContact O-N 3.14Å; E271-T273 VanDerWaalsContact C-N 3.31Å; E271-T273 PolarHBondContact O-N 3.41Å; T273-S275 VanDerWaalsContact C-N 3.31Å; T273-S275 PolarHBondContact O-N 3.26Å; T273-Q276 PolarHBondContact O-N 2.58Å; T273-Q276 VanDerWaalsContact O-N 3.14Å
274T88.5Confident87.5Confident66 Ų6679.8 Ų79.841%0.40540%0.399SS..Hα-helixtrans-63.2-35178.652.40000113.1A85 G270 E271 Q276 V277A85-T274 HydrophobicContact CB-CG2 4.1Å; G270-T274 WeakPolarHBondContact O-CG2 3.33Å; G270-T274 PolarHBondContact O-N 2.98Å; G270-T274 PolarHBondContact O-OG1 2.91Å; G270-T274 VanDerWaalsContact O-OG1 3.08Å; E271-T274 WeakPolarHBondContact CA-OG1 3.32Å; E271-T274 PolarHBondContact O-N 3.47Å; E271-T274 PolarHBondContact O-OG1 3.07Å; T274-Q276 VanDerWaalsContact C-N 3.28Å; T274-Q276 PolarHBondContact O-N 2.95Å; T274-V277 WeakPolarHBondContact O-CB 3.32Å; T274-V277 WeakPolarHBondContact O-CG2 3.16Å; T274-V277 PolarHBondContact O-N 3.28Å
275S89.5Confident86.7Confident90 Ų9078.2 Ų78.263%0.62939%0.39SS*.Hα-helixtrans-73.4-17.9177.254.80000113.9E271 Q272 T273E271-S275 WeakPolarHBondContact O-CB 3.38Å; E271-S275 PolarHBondContact O-N 3.45Å; E271-S275 PolarHBondContact O-OG 2.89Å; Q272-S275 WeakPolarHBondContact CA-OG 3.46Å; Q272-S275 PolarHBondContact O-OG 3.34Å; T273-S275 VanDerWaalsContact C-N 3.31Å; T273-S275 PolarHBondContact O-N 3.26Å
276Q85.7Confident85.9Confident86 Ų8677.9 Ų77.940%0.40239%0.387SS..THydrogen-bonded Turntrans-91.8-2.4177.3-71.1177.43600113.4R80 Q272 T273 T274 S278R80-Q276 HydrophobicContact CG-CB 4.46Å; Q272-Q276 VanDerWaalsContact CG-NE2 3.3Å; Q272-Q276 VanDerWaalsContact O-CG 3.3Å; Q272-Q276 WeakPolarHBondContact O-CG 3.36Å; Q272-Q276 PolarHBondContact O-N 3.15Å; Q272-Q276 PolarHBondContact O-NE2 3.44Å; T273-Q276 PolarHBondContact O-N 2.58Å; T273-Q276 VanDerWaalsContact O-N 3.14Å; T274-Q276 VanDerWaalsContact C-N 3.28Å; T274-Q276 PolarHBondContact O-N 2.95Å; Q276-S278 PolarHBondContact O-N 3.05Å
277V87.1Confident85.4Confident48 Ų4880.4 Ų80.429%0.29140%0.402SS..  trans-63.9124.6176.5176.30000109.4R80 V82 A85 T274R80-V277 WeakPolarHBondContact O-CA 3.29Å; V82-V277 HydrophobicContact CB-CG1 4.41Å; V82-V277 HydrophobicContact CG2-CG1 3.55Å; A85-V277 HydrophobicContact CB-CG2 3.52Å; T274-V277 WeakPolarHBondContact O-CB 3.32Å; T274-V277 WeakPolarHBondContact O-CG2 3.16Å; T274-V277 PolarHBondContact O-N 3.28Å
278S84.9Confident84.7Confident42 Ų4285.6 Ų85.629%0.29441%0.414SS..  trans-135.9118.3-179176.20000110.8R80 Q276 E280 Q281 D282R80-S278 PolarHBondContact O-N 3.27Å; Q276-S278 PolarHBondContact O-N 3.05Å; S278-E280 PolarHBondContact O-N 2.92Å; S278-Q281 WeakPolarHBondContact O-CB 3.24Å; S278-Q281 PolarHBondContact O-N 3.13Å; S278-Q281 VanDerWaalsContact O-N 3.08Å; S278-D282 PolarHBondContact O-N 2.78Å; S278-D282 VanDerWaalsContact O-N 3.08Å
279W82.1Confident83.9Confident180 Ų18086.7 Ų86.768%0.68242%0.419SS*.Hα-helixtrans-60.6-33.517772.8-93.7000112.1Q281 D282 L283W279-Q281 VanDerWaalsContact C-N 3.27Å; W279-Q281 PolarHBondContact O-N 3.42Å; W279-D282 PolarHBondContact O-N 2.62Å; W279-L283 HydrophobicContact CZ3-CD2 3.95Å; W279-L283 WeakPolarHBondContact O-CB 3.46Å; W279-L283 PolarHBondContact O-N 3.35Å
280E84.1Confident82.9Confident95 Ų9587.6 Ų87.644%0.44444%0.44SS..Hα-helixtrans-64.5-37176.9-65.3-178.4-170.600111.5S278 K284S278-E280 PolarHBondContact O-N 2.92Å; E280-K284 WeakPolarHBondContact O-CB 3.4Å; E280-K284 WeakPolarHBondContact O-CD 3.35Å; E280-K284 VanDerWaalsContact O-CG 3.23Å; E280-K284 WeakPolarHBondContact O-CG 3.36Å; E280-K284 PolarHBondContact O-N 3.31Å
281Q79.4Confident82.1Confident69 Ų6989.6 Ų89.632%0.32246%0.46SS..Hα-helixtrans-71.8-40.8178.9-164.365.438.400110.5S278 W279 K284 L285S278-Q281 WeakPolarHBondContact O-CB 3.24Å; S278-Q281 PolarHBondContact O-N 3.13Å; S278-Q281 VanDerWaalsContact O-N 3.08Å; W279-Q281 VanDerWaalsContact C-N 3.27Å; W279-Q281 PolarHBondContact O-N 3.42Å; Q281-K284 PolarHBondContact O-N 3.49Å; Q281-L285 WeakPolarHBondContact O-CG 3.44Å; Q281-L285 PolarHBondContact O-N 3.48Å
282D79.8Confident81.1Confident40 Ų4090.4 Ų90.421%0.21447%0.473CS..Hα-helixtrans-61.5-45.2174-73.70.4000111T81 V82 S278 W279 K284 L285 F286T81-D282 WeakPolarHBondContact CA-OD1 3.09Å; T81-D282 VanDerWaalsContact CB-OD1 3.28Å; T81-D282 WeakPolarHBondContact CB-OD1 3.45Å; T81-D282 WeakPolarHBondContact CG2-OD1 3.46Å; V82-D282 PolarHBondContact N-OD2 3.17Å; S278-D282 PolarHBondContact O-N 2.78Å; S278-D282 VanDerWaalsContact O-N 3.08Å; W279-D282 PolarHBondContact O-N 2.62Å; D282-K284 PolarHBondContact O-N 3.36Å; D282-L285 PolarHBondContact O-N 2.94Å; D282-L285 VanDerWaalsContact O-N 3.16Å; D282-F286 PolarHBondContact O-N 2.95Å
283L82.6Confident80.5Confident80 Ų8091.2 Ų91.242%0.41948%0.475SS..Hα-helixtrans-62.1-42.3176.2-17962.7000112.1W279 L285 F286 L287W279-L283 HydrophobicContact CZ3-CD2 3.95Å; W279-L283 WeakPolarHBondContact O-CB 3.46Å; W279-L283 PolarHBondContact O-N 3.35Å; L283-L285 VanDerWaalsContact C-N 3.27Å; L283-L285 PolarHBondContact O-N 3.09Å; L283-F286 PolarHBondContact O-N 3.12Å; L283-L287 HydrophobicContact CD1-CD1 4.23Å; L283-L287 HydrophobicContact CD1-CG 4.18Å; L283-L287 HydrophobicContact CG-CD1 4.07Å; L283-L287 HydrophobicContact CG-CG 4.42Å; L283-L287 WeakPolarHBondContact O-CB 3.33Å; L283-L287 WeakPolarHBondContact O-CG 3.47Å; L283-L287 PolarHBondContact O-N 3.41Å
284K82.1Confident79.9Confident103 Ų10393.4 Ų93.445%0.44849%0.491SS..Hα-helixtrans-64.3-31.9176.2-76.3168.2-170.7162.80112.6E280 Q281 D282 K288E280-K284 WeakPolarHBondContact O-CB 3.4Å; E280-K284 WeakPolarHBondContact O-CD 3.35Å; E280-K284 VanDerWaalsContact O-CG 3.23Å; E280-K284 WeakPolarHBondContact O-CG 3.36Å; E280-K284 PolarHBondContact O-N 3.31Å; Q281-K284 PolarHBondContact O-N 3.49Å; D282-K284 PolarHBondContact O-N 3.36Å; K284-K288 WeakPolarHBondContact O-CD 3.26Å; K284-K288 WeakPolarHBondContact O-CG 3.42Å; K284-K288 PolarHBondContact O-N 3.11Å
285L77.4Confident79.5Confident66 Ų6696.2 Ų96.235%0.34651%0.51SS..Hα-helixtrans-72.3-46.2174.7-72.1169.2000110.1T81 Q281 D282 L283 L287 K288 E289T81-L285 HydrophobicContact CG2-CD1 3.94Å; Q281-L285 WeakPolarHBondContact O-CG 3.44Å; Q281-L285 PolarHBondContact O-N 3.48Å; D282-L285 PolarHBondContact O-N 2.94Å; D282-L285 VanDerWaalsContact O-N 3.16Å; L283-L285 VanDerWaalsContact C-N 3.27Å; L283-L285 PolarHBondContact O-N 3.09Å; L285-L287 PolarHBondContact O-N 2.8Å; L285-K288 WeakPolarHBondContact O-CB 3.4Å; L285-K288 PolarHBondContact O-N 2.97Å; L285-E289 PolarHBondContact O-N 3.31Å
286F79.1Confident79.1Confident99 Ų9997.4 Ų97.443%0.43451%0.514SS..Hα-helixtrans-56.3-48.2176.2-179.8-100.5000112.5D282 L283 K288 E289 F293D282-F286 PolarHBondContact O-N 2.95Å; L283-F286 PolarHBondContact O-N 3.12Å; F286-K288 PolarHBondContact O-N 3.22Å; F286-K288 VanDerWaalsContact O-N 3.16Å; F286-E289 WeakPolarHBondContact O-CB 3.49Å; F286-E289 PolarHBondContact O-N 3.35Å; F286-E289 VanDerWaalsContact O-N 3.1Å; F286-F293 AromaticContact CE1-CD2 3.84Å; F286-F293 HydrophobicContact CE1-CD2 3.84Å; F286-F293 AromaticContact CE1-CE2 3.83Å; F286-F293 HydrophobicContact CE1-CE2 3.83Å; F286-F293 HydrophobicContact CE1-CG 4.49Å; F286-F293 HydrophobicContact CE1-CZ 4.46Å; F286-F293 AromaticContact CZ-CD2 3.96Å; F286-F293 HydrophobicContact CZ-CD2 3.96Å; F286-F293 AromaticContact CZ-CE2 3.66Å; F286-F293 HydrophobicContact CZ-CE2 3.66Å; F286-F293 HydrophobicContact CZ-CZ 4.47Å
287L81.2Confident78.9Confident90 Ų9098.1 Ų98.147%0.47153%0.526SS..THydrogen-bonded Turntrans-67.9-13.5177.9-66.8175000114L283 L285 F293L283-L287 HydrophobicContact CD1-CD1 4.23Å; L283-L287 HydrophobicContact CD1-CG 4.18Å; L283-L287 HydrophobicContact CG-CD1 4.07Å; L283-L287 HydrophobicContact CG-CG 4.42Å; L283-L287 WeakPolarHBondContact O-CB 3.33Å; L283-L287 WeakPolarHBondContact O-CG 3.47Å; L283-L287 PolarHBondContact O-N 3.41Å; L285-L287 PolarHBondContact O-N 2.8Å; L287-F293 HydrophobicContact CD2-CB 4.32Å
288K75.5Confident78.9Confident167 Ų167100.8 Ų100.873%0.72655%0.545SS*.THydrogen-bonded Turntrans-94.6-10.5175.1-77.1177.9-178.9-171.90112.9K284 L285 F286K284-K288 WeakPolarHBondContact O-CD 3.26Å; K284-K288 WeakPolarHBondContact O-CG 3.42Å; K284-K288 PolarHBondContact O-N 3.11Å; L285-K288 WeakPolarHBondContact O-CB 3.4Å; L285-K288 PolarHBondContact O-N 2.97Å; F286-K288 PolarHBondContact O-N 3.22Å; F286-K288 VanDerWaalsContact O-N 3.16Å
289E75Confident79.2Confident124 Ų124106.5 Ų106.558%0.57957%0.567SS**SBendtrans-64.6130.1175.3-70.1-174.816200109.1L285 F286 G291L285-E289 PolarHBondContact O-N 3.31Å; F286-E289 WeakPolarHBondContact O-CB 3.49Å; F286-E289 PolarHBondContact O-N 3.35Å; F286-E289 VanDerWaalsContact O-N 3.1Å; E289-G291 PolarHBondContact O-N 3.28Å
290P69.8Low79.4Confident134 Ų134105.3 Ų105.387%0.8757%0.569SS**SBendtrans-61.4123.6179.423-30.8000109.7
291G71.5Confident79.5Confident43 Ų43106.5 Ų106.544%0.44357%0.573SS.*SBendtrans163.7-160-176.400000114E289 F293 S294E289-G291 PolarHBondContact O-N 3.28Å; G291-F293 PolarHBondContact O-N 3.5Å; G291-F293 VanDerWaalsContact O-N 3.15Å; G291-S294 WeakPolarHBondContact O-CB 3.38Å; G291-S294 PolarHBondContact O-N 3.2Å; G291-S294 PolarHBondContact O-OG 3.05Å
292V69.4Low79.8Confident141 Ų141110.9 Ų110.986%0.85559%0.593SS**THydrogen-bonded Turntrans-59.2-26.2-171.6-177.20000113.7S294V292-S294 VanDerWaalsContact C-N 3.31Å
293F77.3Confident79.9Confident133 Ų133112.6 Ų112.658%0.58361%0.606SS**THydrogen-bonded Turntrans-87.73.7179.8-59-70.5000114F286 L287 G291F286-F293 AromaticContact CE1-CD2 3.84Å; F286-F293 HydrophobicContact CE1-CD2 3.84Å; F286-F293 AromaticContact CE1-CE2 3.83Å; F286-F293 HydrophobicContact CE1-CE2 3.83Å; F286-F293 HydrophobicContact CE1-CG 4.49Å; F286-F293 HydrophobicContact CE1-CZ 4.46Å; F286-F293 AromaticContact CZ-CD2 3.96Å; F286-F293 HydrophobicContact CZ-CD2 3.96Å; F286-F293 AromaticContact CZ-CE2 3.66Å; F286-F293 HydrophobicContact CZ-CE2 3.66Å; F286-F293 HydrophobicContact CZ-CZ 4.47Å; L287-F293 HydrophobicContact CD2-CB 4.32Å; G291-F293 PolarHBondContact O-N 3.5Å; G291-F293 VanDerWaalsContact O-N 3.15Å
294S76.2Confident79.9Confident65 Ų65112.5 Ų112.546%0.45562%0.617SS.*SBendtrans-66.7149.4174.359.40000111.2G291 V292 T296G291-S294 WeakPolarHBondContact O-CB 3.38Å; G291-S294 PolarHBondContact O-N 3.2Å; G291-S294 PolarHBondContact O-OG 3.05Å; V292-S294 VanDerWaalsContact C-N 3.31Å; S294-T296 PolarHBondContact O-N 3.29Å
295P78.9Confident79.7Confident125 Ų125111.7 Ų111.781%0.81264%0.638SS**PPolyproline II helixtrans-60.4124.6-178-21.131.8000111.4
296T81.6Confident79.8Confident116 Ų116115.1 Ų115.171%0.71266%0.662SS**PPolyproline II helixtrans-61.9137.4170.6-45.20000109.7S294S294-T296 PolarHBondContact O-N 3.29Å
297P82.9Confident79.9Confident100 Ų100114 Ų11465%0.64966%0.661SS**PPolyproline II helixtrans-55.3143.6174.1-24.733.5000111.7Q299P297-Q299 PolarHBondContact O-N 3.02Å
298P86.9Confident79.7Confident105 Ų105118 Ų11868%0.68268%0.677SS**PPolyproline II helixtrans-63133.8176.926.7-33.4000110.1
299Q89.9Confident79.9Confident162 Ų162113 Ų11376%0.75766%0.66SS**PPolyproline II helixtrans-65.8138.5173.5-60.3-60.9-43.400109.7P297P297-Q299 PolarHBondContact O-N 3.02Å
300Q86.9Confident80.1Confident155 Ų155111.4 Ų111.472%0.72466%0.661SS**  trans-118.2151.5-178.7-61.5-178.525.600109.7Q302Q300-Q302 PolarHBondContact O-N 3.2Å
301F86.3Confident80.7Confident119 Ų119108.6 Ų108.652%0.52265%0.65SS.*  trans-59129.2172.7176-103.4000109.7P303 V309 C310F301-P303 HydrophobicContact CD1-CG 4.02Å; F301-P303 HydrophobicContact CE1-CB 3.97Å; F301-P303 HydrophobicContact CE1-CG 3.91Å; F301-P303 WeakPolarHBondContact O-CD 3.48Å; F301-V309 WeakPolarHBondContact CE1-O 3.43Å; F301-C310 HydrophobicContact CD1-CB 4.04Å; F301-C310 WeakPolarHBondContact CD1-SG 3.46Å; F301-C310 HydrophobicContact CE1-CB 4.38Å
302Q85.1Confident81.2Confident162 Ų162109.5 Ų109.576%0.75764%0.644SS**  trans-106.1105.6178.5-61.3-172.626.200108.5Q300Q300-Q302 PolarHBondContact O-N 3.2Å
303P83.3Confident81.7Confident75 Ų75110 Ų11049%0.48764%0.637SS.*  trans-67.8135.1-178.6-13.426.4000111.4F301 D307F301-P303 HydrophobicContact CD1-CG 4.02Å; F301-P303 HydrophobicContact CE1-CB 3.97Å; F301-P303 HydrophobicContact CE1-CG 3.91Å; F301-P303 WeakPolarHBondContact O-CD 3.48Å; P303-D307 WeakPolarHBondContact CB-O 3.32Å
304A81.2Confident81.2Confident78 Ų78107.7 Ų107.765%0.64562%0.624SS**  trans-99129.5177.500000111.2T306 D307A304-T306 PolarHBondContact O-N 3.45Å; A304-D307 WeakPolarHBondContact O-CB 3.44Å; A304-D307 PolarHBondContact O-N 2.97Å
305G79.4Confident80.5Confident86 Ų86107.3 Ų107.389%0.88763%0.631SS**THydrogen-bonded Turntrans63.1-120.4175.800000113.3
306T77.8Confident79.2Confident139 Ų139106 Ų10685%0.85363%0.631SS**THydrogen-bonded Turntrans-98.22.3179.6560000113.7A304 Q308A304-T306 PolarHBondContact O-N 3.45Å; T306-Q308 PolarHBondContact O-N 3.5Å
307D81.9Confident77.7Confident76 Ų76109.5 Ų109.541%0.40664%0.639SS.*  trans-68.5127.4178.9-166.9-0.9000110.1P303 A304 V309P303-D307 WeakPolarHBondContact CB-O 3.32Å; A304-D307 WeakPolarHBondContact O-CB 3.44Å; A304-D307 PolarHBondContact O-N 2.97Å; D307-V309 WeakPolarHBondContact OD1-CB 3.45Å; D307-V309 WeakPolarHBondContact OD1-CG2 3.49Å; D307-V309 PolarHBondContact OD1-N 3.47Å
308Q77.6Confident75.9Confident173 Ų173108.6 Ų108.681%0.80864%0.635SS**  trans-118.42.4175.1-61.4-171.124.700111.5T306 C310T306-Q308 PolarHBondContact O-N 3.5Å; Q308-C310 PolarHBondContact O-N 2.87Å; Q308-C310 PolarHBondContact O-SG 3.49Å
309V79.9Confident73.8Confident62 Ų62112.1 Ų112.138%0.37664%0.644SS.*  trans-77108.8-179-175.70000108.7F301 D307 E313F301-V309 WeakPolarHBondContact CE1-O 3.43Å; D307-V309 WeakPolarHBondContact OD1-CB 3.45Å; D307-V309 WeakPolarHBondContact OD1-CG2 3.49Å; D307-V309 PolarHBondContact OD1-N 3.47Å; V309-E313 HydrophobicContact CG1-CG 3.95Å
310C78.5Confident71.8Confident90 Ų90109.7 Ų109.761%0.60865%0.652SS**  trans-112.714179.3-55.60000112.1F301 Q308F301-C310 HydrophobicContact CD1-CB 4.04Å; F301-C310 WeakPolarHBondContact CD1-SG 3.46Å; F301-C310 HydrophobicContact CE1-CB 4.38Å; Q308-C310 PolarHBondContact O-N 2.87Å; Q308-C310 PolarHBondContact O-SG 3.49Å
311A81.6Confident70.2Confident75 Ų75104.5 Ų104.562%0.6264%0.64SS**SBendtrans-123.8148.3-176.900000110.2E313A311-E313 PolarHBondContact O-N 2.96Å
312L83Confident68.8Low63 Ų63103.9 Ų103.933%0.3364%0.639SS.*  trans-69.3120.6178.8-165.3102.6000110.1L325 L396 A399L312-L325 HydrophobicContact CD1-CD2 4.43Å; L312-L325 HydrophobicContact CD2-CD1 3.87Å; L312-L325 HydrophobicContact CD2-CD2 4.4Å; L312-L325 HydrophobicContact CG-CD1 4.37Å; L312-L396 HydrophobicContact CD2-CD2 3.71Å; L312-A399 HydrophobicContact CB-CB 4.08Å; L312-A399 HydrophobicContact CD2-CB 3.42Å; L312-A399 VanDerWaalsContact CD2-CB 3.42Å; L312-A399 HydrophobicContact CG-CB 4.33Å
313E80.1Confident68Low150 Ų15097 Ų9770%0.70161%0.609SS**  trans-94.9131.9178.9-63.5-169.5131.600111.6V309 A311V309-E313 HydrophobicContact CG1-CG 3.95Å; A311-E313 PolarHBondContact O-N 2.96Å
314W67.3Low67.7Low85 Ų8596.3 Ų96.332%0.32262%0.615SS.*  trans-126.4106.4176.6169.4-98.4000109.3S323 L325 E326 L401W314-S323 WeakPolarHBondContact CH2-OG 3.43Å; W314-S323 WeakPolarHBondContact CZ3-OG 3.27Å; W314-L325 HydrophobicContact CE3-CB 3.87Å; W314-L325 HydrophobicContact CE3-CD1 3.71Å; W314-L325 HydrophobicContact CE3-CG 4.29Å; W314-L325 HydrophobicContact CZ3-CB 3.76Å; W314-L325 HydrophobicContact CZ3-CD1 4.39Å; W314-E326 HydrophobicContact CH2-CG 3.62Å; W314-E326 HydrophobicContact CZ2-CG 4.36Å; W314-E326 HydrophobicContact CZ3-CG 4.27Å; W314-L401 HydrophobicContact CD2-CD2 3.91Å; W314-L401 HydrophobicContact CD2-CG 4.3Å; W314-L401 HydrophobicContact CE3-CD1 4.3Å; W314-L401 HydrophobicContact CE3-CD2 3.82Å; W314-L401 HydrophobicContact CE3-CG 4.32Å; W314-L401 HydrophobicContact CH2-CD2 3.71Å; W314-L401 HydrophobicContact CZ2-CD2 3.83Å; W314-L401 HydrophobicContact CZ3-CD2 3.71Å
315G59.8Low67.8Low58 Ų5894.9 Ų94.960%0.59860%0.597SS**  trans-82.5116.1177.800000111.5E317G315-E317 PolarHBondContact O-N 2.96Å; G315-E317 VanDerWaalsContact O-N 3.12Å
316A51.7Low68Low97 Ų9794 Ų9480%0.80257%0.569SS**THydrogen-bonded Turntrans-67.8-417600000114.4
317E49.8Very low68.3Low190 Ų19092.6 Ų92.689%0.88855%0.552SS**THydrogen-bonded Turntrans-109.236.1-175-67.3-171.6163.400114.1G315 M319G315-E317 PolarHBondContact O-N 2.96Å; G315-E317 VanDerWaalsContact O-N 3.12Å; E317-M319 PolarHBondContact O-N 3.07Å
318S45.2Very low68.4Low81 Ų8190.9 Ų90.957%0.56654%0.541SS*.  trans-84.592.8164.2-174.80000109.8A320S318-A320 PolarHBondContact O-N 3.11Å
319M44.3Very low69Low178 Ų17882.9 Ų82.988%0.87750%0.504SS*.THydrogen-bonded Turntrans-58.8117.8174.5-72.7-73-76.400111E317E317-M319 PolarHBondContact O-N 3.07Å
320A46.5Very low69.3Low111 Ų11182 Ų8292%0.91750%0.495SS*.THydrogen-bonded Turntrans66.836.216000000119.1S318S318-A320 PolarHBondContact O-N 3.11Å
321G54.6Low69.8Low46 Ų4681.1 Ų81.147%0.47448%0.48SS..SBendtrans-150.5143.4162.400000111.5S323G321-S323 PolarHBondContact O-N 3.42Å; G321-S323 VanDerWaalsContact O-N 3.12Å
322E57.2Low70.1Confident107 Ų10778.1 Ų78.150%0.545%0.453SS..  trans-50.9120.8165-79.7-176.8156.700108.1K327 Q330E322-K327 HydrophobicContact CB-CD 4.46Å; E322-K327 HydrophobicContact CB-CG 4.17Å; E322-K327 WeakPolarHBondContact OE2-CE 3.43Å; E322-Q330 PolarHBondContact OE1-NE2 3.32Å
323S67.5Low70.5Confident17 Ų1775.2 Ų75.212%0.11944%0.438CS..  trans-58.2156.5177.765.90000112.3W314 G321 L325 E326 K327W314-S323 WeakPolarHBondContact CH2-OG 3.43Å; W314-S323 WeakPolarHBondContact CZ3-OG 3.27Å; G321-S323 PolarHBondContact O-N 3.42Å; G321-S323 VanDerWaalsContact O-N 3.12Å; S323-L325 PolarHBondContact O-N 2.91Å; S323-E326 PolarHBondContact N-OE2 2.55Å; S323-E326 PolarHBondContact O-N 2.73Å; S323-E326 WeakPolarHBondContact OG-CB 3.41Å; S323-E326 WeakPolarHBondContact OG-CG 3.48Å; S323-E326 PolarHBondContact OG-N 2.71Å; S323-E326 PolarHBondContact OG-OE2 3.36Å; S323-K327 PolarHBondContact O-N 3.03Å
324G77.4Confident71Confident61 Ų6171.1 Ų71.163%0.62943%0.426SS*.Hα-helixtrans-56.7-37.6171.600000112.9E328G324-E328 WeakPolarHBondContact O-CB 3.44Å; G324-E328 PolarHBondContact O-N 3.31Å
325L82.8Confident72Confident47 Ų4770.5 Ų70.525%0.24642%0.424CS..Hα-helixtrans-76.3-30.6-177.6-60.6168.9000113.2L312 W314 S323 E328 V329 L396 L401L312-L325 HydrophobicContact CD1-CD2 4.43Å; L312-L325 HydrophobicContact CD2-CD1 3.87Å; L312-L325 HydrophobicContact CD2-CD2 4.4Å; L312-L325 HydrophobicContact CG-CD1 4.37Å; W314-L325 HydrophobicContact CE3-CB 3.87Å; W314-L325 HydrophobicContact CE3-CD1 3.71Å; W314-L325 HydrophobicContact CE3-CG 4.29Å; W314-L325 HydrophobicContact CZ3-CB 3.76Å; W314-L325 HydrophobicContact CZ3-CD1 4.39Å; S323-L325 PolarHBondContact O-N 2.91Å; L325-E328 WeakPolarHBondContact O-CB 3.42Å; L325-E328 PolarHBondContact O-N 3Å; L325-V329 WeakPolarHBondContact O-CG2 3.29Å; L325-V329 PolarHBondContact O-N 2.96Å; L325-L396 HydrophobicContact CB-CD2 4.34Å; L325-L396 HydrophobicContact CD2-CD2 3.88Å; L325-L401 HydrophobicContact CB-CD1 3.81Å
326E83.1Confident73.4Confident68 Ų6868.6 Ų68.632%0.31840%0.402SS..Hα-helixtrans-69.2-39.3172.5-74.3164.8144.400111.7W314 S323 E328 V329 Q330 L401W314-E326 HydrophobicContact CH2-CG 3.62Å; W314-E326 HydrophobicContact CZ2-CG 4.36Å; W314-E326 HydrophobicContact CZ3-CG 4.27Å; S323-E326 PolarHBondContact N-OE2 2.55Å; S323-E326 PolarHBondContact O-N 2.73Å; S323-E326 WeakPolarHBondContact OG-CB 3.41Å; S323-E326 WeakPolarHBondContact OG-CG 3.48Å; S323-E326 PolarHBondContact OG-N 2.71Å; S323-E326 PolarHBondContact OG-OE2 3.36Å; E326-E328 VanDerWaalsContact C-N 3.27Å; E326-E328 PolarHBondContact O-N 3.46Å; E326-V329 PolarHBondContact O-N 3.03Å; E326-Q330 WeakPolarHBondContact O-CG 3.19Å; E326-Q330 PolarHBondContact O-N 2.98Å; E326-L401 HydrophobicContact CG-CD2 3.85Å
327K84.3Confident75.3Confident110 Ų11064.4 Ų64.448%0.47837%0.367SS..Hα-helixtrans-63.1-37.1172.2-68.6-179.4-177.1177.70111.4E322 S323 Q330 R331E322-K327 HydrophobicContact CB-CD 4.46Å; E322-K327 HydrophobicContact CB-CG 4.17Å; E322-K327 WeakPolarHBondContact OE2-CE 3.43Å; S323-K327 PolarHBondContact O-N 3.03Å; K327-Q330 PolarHBondContact O-N 3.32Å; K327-R331 WeakPolarHBondContact O-CB 3.24Å; K327-R331 PolarHBondContact O-N 3.03Å
328E85.3Confident77.1Confident40 Ų4057.7 Ų57.719%0.18733%0.334CS..Hα-helixtrans-64-43.6173.9-172.558.9-153.100112G324 L325 E326 Q330 R331 L332 L396G324-E328 WeakPolarHBondContact O-CB 3.44Å; G324-E328 PolarHBondContact O-N 3.31Å; L325-E328 WeakPolarHBondContact O-CB 3.42Å; L325-E328 PolarHBondContact O-N 3Å; E326-E328 VanDerWaalsContact C-N 3.27Å; E326-E328 PolarHBondContact O-N 3.46Å; E328-Q330 PolarHBondContact O-N 3.47Å; E328-R331 VanDerWaalsContact CD-CZ 3.49Å; E328-R331 PolarHBondContact O-N 3.3Å; E328-R331 IonicContact OE1-CZ 3.44Å; E328-R331 VanDerWaalsContact OE1-CZ 3.31Å; E328-R331 IonicContact OE1-NE 3.58Å; E328-R331 PolarHBondContact OE1-NE 3.01Å; E328-R331 IonicContact OE1-NH2 2.73Å; E328-R331 PolarHBondContact OE1-NH2 2.82Å; E328-R331 IonicContact OE2-CZ 3.98Å; E328-R331 IonicContact OE2-NE 3.62Å; E328-R331 PolarHBondContact OE2-NE 3.33Å; E328-R331 IonicContact OE2-NH1 3.73Å; E328-R331 IonicContact OE2-NH2 3.65Å; E328-R331 PolarHBondContact OE2-NH2 3.48Å; E328-L332 HydrophobicContact CG-CD1 4.04Å; E328-L332 HydrophobicContact CG-CG 4.43Å; E328-L332 WeakPolarHBondContact O-CB 3.48Å; E328-L332 VanDerWaalsContact O-CG 3.29Å; E328-L332 WeakPolarHBondContact O-CG 3.43Å; E328-L332 PolarHBondContact O-N 3.46Å; E328-L396 HydrophobicContact CG-CD1 4.36Å
329V88.8Confident79.3Confident4 Ų453.9 Ų53.92%0.02431%0.307CS..Hα-helixtrans-58.7-47.4173170.10000110.9L325 E326 R331 L332 T333 L393 L396 L401 V403 W406L325-V329 WeakPolarHBondContact O-CG2 3.29Å; L325-V329 PolarHBondContact O-N 2.96Å; E326-V329 PolarHBondContact O-N 3.03Å; V329-R331 VanDerWaalsContact C-N 3.34Å; V329-R331 PolarHBondContact O-N 3.44Å; V329-L332 PolarHBondContact O-N 3.26Å; V329-T333 HydrophobicContact CG1-CG2 4.25Å; V329-T333 WeakPolarHBondContact O-CB 3.47Å; V329-T333 VanDerWaalsContact O-CG2 3.22Å; V329-T333 WeakPolarHBondContact O-CG2 3.33Å; V329-T333 PolarHBondContact O-N 3.32Å; V329-T333 PolarHBondContact O-OG1 3.37Å; V329-L393 HydrophobicContact CG1-CD2 4.5Å; V329-L396 HydrophobicContact CG2-CB 4.16Å; V329-L396 HydrophobicContact CG2-CD1 3.68Å; V329-L396 HydrophobicContact CG2-CG 4.39Å; V329-L401 HydrophobicContact CG2-CD1 4.36Å; V329-V403 HydrophobicContact CG1-CB 4.34Å; V329-V403 HydrophobicContact CG1-CG1 4.36Å; V329-V403 HydrophobicContact CG1-CG2 4.16Å; V329-V403 HydrophobicContact CG2-CG2 4.07Å; V329-W406 HydrophobicContact CG1-CB 4.4Å; V329-W406 HydrophobicContact CG1-CG 4.45Å
330Q87.9Confident81.5Confident43 Ų4348 Ų4820%0.20128%0.276CS..Hα-helixtrans-58.4-47.1176.4-70.5176.217.900111E322 E326 K327 E328 L332 T333 S334 W406E322-Q330 PolarHBondContact OE1-NE2 3.32Å; E326-Q330 WeakPolarHBondContact O-CG 3.19Å; E326-Q330 PolarHBondContact O-N 2.98Å; K327-Q330 PolarHBondContact O-N 3.32Å; E328-Q330 PolarHBondContact O-N 3.47Å; Q330-L332 PolarHBondContact O-N 2.9Å; Q330-T333 WeakPolarHBondContact CA-OG1 3.45Å; Q330-T333 PolarHBondContact O-N 3.05Å; Q330-T333 PolarHBondContact O-OG1 2.63Å; Q330-S334 WeakPolarHBondContact O-CB 3.5Å; Q330-S334 PolarHBondContact O-N 3.16Å; Q330-S334 PolarHBondContact O-OG 2.96Å; Q330-S334 VanDerWaalsContact O-OG 3.13Å; Q330-W406 HydrophobicContact CG-CD2 3.56Å; Q330-W406 HydrophobicContact CG-CE3 3.68Å; Q330-W406 HydrophobicContact CG-CG 4.07Å; Q330-W406 HydrophobicContact CG-CH2 4.08Å; Q330-W406 HydrophobicContact CG-CZ2 3.99Å; Q330-W406 HydrophobicContact CG-CZ3 3.93Å
331R88.1Confident83.6Confident73 Ų7344.8 Ų44.828%0.27524%0.241SC..Hα-helixtrans-58.6-49.2177.8-173.9178.575.8166.711.6112.5K327 E328 V329 R335 P459K327-R331 WeakPolarHBondContact O-CB 3.24Å; K327-R331 PolarHBondContact O-N 3.03Å; E328-R331 VanDerWaalsContact CD-CZ 3.49Å; E328-R331 PolarHBondContact O-N 3.3Å; E328-R331 IonicContact OE1-CZ 3.44Å; E328-R331 VanDerWaalsContact OE1-CZ 3.31Å; E328-R331 IonicContact OE1-NE 3.58Å; E328-R331 PolarHBondContact OE1-NE 3.01Å; E328-R331 IonicContact OE1-NH2 2.73Å; E328-R331 PolarHBondContact OE1-NH2 2.82Å; E328-R331 IonicContact OE2-CZ 3.98Å; E328-R331 IonicContact OE2-NE 3.62Å; E328-R331 PolarHBondContact OE2-NE 3.33Å; E328-R331 IonicContact OE2-NH1 3.73Å; E328-R331 IonicContact OE2-NH2 3.65Å; E328-R331 PolarHBondContact OE2-NH2 3.48Å; V329-R331 VanDerWaalsContact C-N 3.34Å; V329-R331 PolarHBondContact O-N 3.44Å; R331-R335 WeakPolarHBondContact O-CB 3.45Å; R331-R335 PolarHBondContact O-N 3.28Å; R331-P459 VanDerWaalsContact NH1-CD 3.35Å
332L88.8Confident85.2Confident12 Ų1243.2 Ų43.26%0.06322%0.221CC..Hα-helixtrans-67.2-38-178.8-70.4172.9000112.3E328 V329 Q330 R335 A336 R392 L393 L396E328-L332 HydrophobicContact CG-CD1 4.04Å; E328-L332 HydrophobicContact CG-CG 4.43Å; E328-L332 WeakPolarHBondContact O-CB 3.48Å; E328-L332 VanDerWaalsContact O-CG 3.29Å; E328-L332 WeakPolarHBondContact O-CG 3.43Å; E328-L332 PolarHBondContact O-N 3.46Å; V329-L332 PolarHBondContact O-N 3.26Å; Q330-L332 PolarHBondContact O-N 2.9Å; L332-R335 PolarHBondContact O-N 3.39Å; L332-A336 WeakPolarHBondContact O-CB 3.45Å; L332-A336 PolarHBondContact O-N 3.37Å; L332-R392 HydrophobicContact CD1-CB 3.69Å; L332-L393 HydrophobicContact CB-CD1 4.43Å; L332-L393 HydrophobicContact CB-CD2 3.63Å; L332-L393 HydrophobicContact CB-CG 3.98Å; L332-L393 HydrophobicContact CD1-CD2 3.95Å; L332-L393 HydrophobicContact CD1-CG 4.28Å; L332-L393 HydrophobicContact CG-CD2 4.47Å; L332-L396 HydrophobicContact CD1-CD1 3.74Å
333T91.1Very high86.8Confident2 Ų239.2 Ų39.21%0.01220%0.203CC..Hα-helixtrans-69.9-41.3177.253.70000112.1V329 Q330 R335 A336 A337 L393 V403 W406 L407V329-T333 HydrophobicContact CG1-CG2 4.25Å; V329-T333 WeakPolarHBondContact O-CB 3.47Å; V329-T333 VanDerWaalsContact O-CG2 3.22Å; V329-T333 WeakPolarHBondContact O-CG2 3.33Å; V329-T333 PolarHBondContact O-N 3.32Å; V329-T333 PolarHBondContact O-OG1 3.37Å; Q330-T333 WeakPolarHBondContact CA-OG1 3.45Å; Q330-T333 PolarHBondContact O-N 3.05Å; Q330-T333 PolarHBondContact O-OG1 2.63Å; T333-R335 VanDerWaalsContact C-N 3.31Å; T333-R335 PolarHBondContact O-N 2.66Å; T333-A336 PolarHBondContact O-N 3.12Å; T333-A337 PolarHBondContact O-N 3.22Å; T333-L393 HydrophobicContact CG2-CD1 4.15Å; T333-L393 HydrophobicContact CG2-CD2 4.09Å; T333-V403 HydrophobicContact CG2-CG1 4.34Å; T333-W406 HydrophobicContact CG2-CB 4.16Å; T333-L407 HydrophobicContact CG2-CB 3.68Å; T333-L407 HydrophobicContact CG2-CD1 3.93Å; T333-L407 HydrophobicContact CG2-CG 4.38Å
334S89.4Confident87.9Confident64 Ų6441.2 Ų41.245%0.44821%0.212SC..Hα-helixtrans-64.1-34.7171.1-62.20000112.6Q330 R338Q330-S334 WeakPolarHBondContact O-CB 3.5Å; Q330-S334 PolarHBondContact O-N 3.16Å; Q330-S334 PolarHBondContact O-OG 2.96Å; Q330-S334 VanDerWaalsContact O-OG 3.13Å; S334-R338 WeakPolarHBondContact O-CG 3.41Å; S334-R338 PolarHBondContact O-N 3.29Å
335R88.8Confident88.4Confident72 Ų7239.3 Ų39.327%0.27219%0.187SC..Hα-helixtrans-67.4-45.8173.7-175.864.6-171.9-145.68.7111.7R331 L332 T333 A337 R338 D339 S385R331-R335 WeakPolarHBondContact O-CB 3.45Å; R331-R335 PolarHBondContact O-N 3.28Å; L332-R335 PolarHBondContact O-N 3.39Å; T333-R335 VanDerWaalsContact C-N 3.31Å; T333-R335 PolarHBondContact O-N 2.66Å; R335-A337 VanDerWaalsContact C-N 3.3Å; R335-A337 PolarHBondContact O-N 2.88Å; R335-R338 PolarHBondContact O-N 2.81Å; R335-R338 VanDerWaalsContact O-N 3.1Å; R335-D339 IonicContact CZ-OD1 2.89Å; R335-D339 IonicContact NE-OD1 3.98Å; R335-D339 PolarHBondContact NE-OD1 3.29Å; R335-D339 IonicContact NE-OD2 2.76Å; R335-D339 IonicContact NH2-OD1 3.06Å; R335-D339 PolarHBondContact O-N 3.15Å; R335-S385 PolarHBondContact NE-OG 3.38Å
336A90.1Very high88.6Confident17 Ų1737.1 Ų37.114%0.1418%0.175CC..Hα-helixtrans-59.2-40.4177.300000112.5L332 T333 R338 Y340 L407 M411L332-A336 WeakPolarHBondContact O-CB 3.45Å; L332-A336 PolarHBondContact O-N 3.37Å; T333-A336 PolarHBondContact O-N 3.12Å; A336-R338 VanDerWaalsContact C-N 3.34Å; A336-R338 PolarHBondContact O-N 3.37Å; A336-Y340 WeakPolarHBondContact O-CB 3.38Å; A336-Y340 PolarHBondContact O-N 3.27Å; A336-L407 HydrophobicContact CB-CD1 4.43Å; A336-M411 HydrophobicContact CB-SD 4.48Å
337A90.6Very high89Confident9 Ų938.5 Ų38.57%0.07418%0.181CC..Hα-helixtrans-62.2-38.617500000112.6T333 R335 K341 A410 M411 A414T333-A337 PolarHBondContact O-N 3.22Å; R335-A337 VanDerWaalsContact C-N 3.3Å; R335-A337 PolarHBondContact O-N 2.88Å; A337-K341 WeakPolarHBondContact O-CG 3.41Å; A337-K341 PolarHBondContact O-N 3.13Å; A337-A410 HydrophobicContact CB-CB 4Å; A337-A410 WeakPolarHBondContact CB-O 3.37Å; A337-M411 HydrophobicContact CB-SD 4.32Å; A337-A414 HydrophobicContact CB-CB 3.98Å; A337-A414 WeakPolarHBondContact O-CB 3.4Å
338R87.8Confident89.1Confident49 Ų4936.3 Ų36.319%0.18517%0.17CC..Hα-helixtrans-72.1-46.9175.1-73.8-176.4-69151.3-5112.8S334 R335 A336 Y340 K341 I342 T452S334-R338 WeakPolarHBondContact O-CG 3.41Å; S334-R338 PolarHBondContact O-N 3.29Å; R335-R338 PolarHBondContact O-N 2.81Å; R335-R338 VanDerWaalsContact O-N 3.1Å; A336-R338 VanDerWaalsContact C-N 3.34Å; A336-R338 PolarHBondContact O-N 3.37Å; R338-Y340 PolarHBondContact O-N 3.48Å; R338-K341 WeakPolarHBondContact O-CA 3.49Å; R338-K341 WeakPolarHBondContact O-CB 3.41Å; R338-K341 PolarHBondContact O-N 3.34Å; R338-I342 PolarHBondContact O-N 2.94Å; R338-T452 PolarHBondContact NH1-O 3.48Å
339D90.4Very high89.1Confident1 Ų134.7 Ų34.71%0.00516%0.163CC..Hα-helixtrans-57.1-36.1177.4-67.3-26.5000110.5R335 I342 Q343 A382 S385R335-D339 IonicContact CZ-OD1 2.89Å; R335-D339 IonicContact NE-OD1 3.98Å; R335-D339 PolarHBondContact NE-OD1 3.29Å; R335-D339 IonicContact NE-OD2 2.76Å; R335-D339 IonicContact NH2-OD1 3.06Å; R335-D339 PolarHBondContact O-N 3.15Å; D339-I342 PolarHBondContact O-N 3.03Å; D339-Q343 VanDerWaalsContact O-CG 3.28Å; D339-Q343 WeakPolarHBondContact O-CG 3.11Å; D339-Q343 PolarHBondContact O-N 3.41Å; D339-A382 HydrophobicContact CB-CB 4.11Å; D339-S385 PolarHBondContact OD1-OG 3.16Å; D339-S385 WeakPolarHBondContact OD2-CB 3.38Å; D339-S385 PolarHBondContact OD2-OG 3.38Å
340Y91.8Very high89.1Confident56 Ų5635.2 Ų35.222%0.2217%0.166CC..Hα-helixtrans-61.8-42.2172.2178.5-93.5000113.1A336 R338 N344 M411 A414 Q415 V418A336-Y340 WeakPolarHBondContact O-CB 3.38Å; A336-Y340 PolarHBondContact O-N 3.27Å; R338-Y340 PolarHBondContact O-N 3.48Å; Y340-N344 VanDerWaalsContact CE1-ND2 3.27Å; Y340-N344 WeakPolarHBondContact CE1-ND2 2.84Å; Y340-N344 VanDerWaalsContact CE2-ND2 3.29Å; Y340-N344 WeakPolarHBondContact CE2-ND2 3.47Å; Y340-N344 PolarHBondContact O-N 2.89Å; Y340-N344 PolarHBondContact O-ND2 3.33Å; Y340-M411 HydrophobicContact CD1-CE 4.45Å; Y340-M411 HydrophobicContact CD2-CE 3.83Å; Y340-M411 HydrophobicContact CE2-CE 4.48Å; Y340-M411 HydrophobicContact CG-CE 3.8Å; Y340-A414 HydrophobicContact CD1-CB 4.2Å; Y340-Q415 HydrophobicContact CE1-CB 4.49Å; Y340-Q415 HydrophobicContact CE1-CG 3.68Å; Y340-V418 HydrophobicContact CD1-CG2 4.47Å; Y340-V418 HydrophobicContact CE1-CG2 4.31Å
341K90.6Very high89.1Confident42 Ų4239.7 Ų39.718%0.18319%0.187CC..Hα-helixtrans-64.9-47.3175.7-64178.4-175174.20111.3A337 R338 Q343 N344 H345 A414 E417 V418A337-K341 WeakPolarHBondContact O-CG 3.41Å; A337-K341 PolarHBondContact O-N 3.13Å; R338-K341 WeakPolarHBondContact O-CA 3.49Å; R338-K341 WeakPolarHBondContact O-CB 3.41Å; R338-K341 PolarHBondContact O-N 3.34Å; K341-Q343 VanDerWaalsContact C-N 3.33Å; K341-Q343 PolarHBondContact O-N 3.08Å; K341-N344 PolarHBondContact O-N 3.1Å; K341-H345 VanDerWaalsContact O-CB 3.31Å; K341-H345 WeakPolarHBondContact O-CB 3.36Å; K341-H345 PolarHBondContact O-N 3.21Å; K341-A414 HydrophobicContact CD-CB 4.41Å; K341-A414 VanDerWaalsContact CE-CA 3.4Å; K341-A414 VanDerWaalsContact CE-CB 3.49Å; K341-A414 HydrophobicContact CG-CB 4.06Å; K341-E417 WeakPolarHBondContact CE-OE2 3.47Å; K341-E417 VanDerWaalsContact NZ-CD 3.27Å; K341-E417 IonicContact NZ-OE1 2.64Å; K341-E417 IonicContact NZ-OE2 3.36Å; K341-E417 PolarHBondContact NZ-OE2 3.35Å; K341-V418 HydrophobicContact CB-CG2 4.14Å; K341-V418 HydrophobicContact CG-CG2 3.81Å
342I88.1Confident88.8Confident13 Ų1338.2 Ų38.27%0.06718%0.181CC..Hα-helixtrans-58.5-44.6179.3-67.6160.7000110.9R338 D339 G346 A382 F446 C449R338-I342 PolarHBondContact O-N 2.94Å; D339-I342 PolarHBondContact O-N 3.03Å; I342-G346 WeakPolarHBondContact O-CA 3.4Å; I342-G346 PolarHBondContact O-N 3.12Å; I342-A382 HydrophobicContact CB-CB 4.13Å; I342-A382 HydrophobicContact CG2-CB 3.83Å; I342-F446 HydrophobicContact CG2-CE2 4.36Å; I342-C449 HydrophobicContact CG1-CB 4.34Å
343Q90.6Very high88.7Confident23 Ų2338.1 Ų38.111%0.10718%0.18CC..Hα-helixtrans-63.5-47.9178.1-71.8178.629.900112.2D339 K341 H347 I379 A382 Q383D339-Q343 VanDerWaalsContact O-CG 3.28Å; D339-Q343 WeakPolarHBondContact O-CG 3.11Å; D339-Q343 PolarHBondContact O-N 3.41Å; K341-Q343 VanDerWaalsContact C-N 3.33Å; K341-Q343 PolarHBondContact O-N 3.08Å; Q343-H347 WeakPolarHBondContact O-CB 3.45Å; Q343-H347 PolarHBondContact O-CD2 3.34Å; Q343-H347 PolarHBondContact O-N 2.78Å; Q343-I379 HydrophobicContact CG-CG2 4.36Å; Q343-A382 HydrophobicContact CG-CB 3.89Å; Q343-Q383 HydrophobicContact CG-CG 4.14Å
344N90.4Very high88.5Confident60 Ų6041.5 Ų41.532%0.32120%0.196SC..Hα-helixtrans-69-45.3-177.1-75.7-66.2000112.3Y340 K341 W348 V418Y340-N344 VanDerWaalsContact CE1-ND2 3.27Å; Y340-N344 WeakPolarHBondContact CE1-ND2 2.84Å; Y340-N344 VanDerWaalsContact CE2-ND2 3.29Å; Y340-N344 WeakPolarHBondContact CE2-ND2 3.47Å; Y340-N344 PolarHBondContact O-N 2.89Å; Y340-N344 PolarHBondContact O-ND2 3.33Å; K341-N344 PolarHBondContact O-N 3.1Å; N344-W348 PolarHBondContact O-N 2.9Å; N344-V418 HydrophobicContact CB-CG1 3.8Å; N344-V418 HydrophobicContact CB-CG2 4.43Å
345H87Confident88.3Confident21 Ų2143.8 Ų43.810%0.09720%0.2CC..Hα-helixtrans-67.3-44.4177.7-165.552.9000111K341 H347 W348 V349 E442 F446K341-H345 VanDerWaalsContact O-CB 3.31Å; K341-H345 WeakPolarHBondContact O-CB 3.36Å; K341-H345 PolarHBondContact O-N 3.21Å; H345-H347 PolarHBondContact O-N 3.48Å; H345-W348 AromaticContact CE1-CE3 3.76Å; H345-W348 AromaticContact CE1-CZ3 3.5Å; H345-W348 AromaticContact ND1-CE3 3.7Å; H345-W348 AromaticContact ND1-CZ3 3.9Å; H345-W348 PolarHBondContact O-N 3.11Å; H345-W348 VanDerWaalsContact O-N 3.14Å; H345-V349 WeakPolarHBondContact O-CG2 3.42Å; H345-V349 PolarHBondContact O-N 2.81Å; H345-E442 PolarHBondContact NE2-O 2.82Å; H345-F446 HydrophobicContact CB-CD2 4.44Å; H345-F446 VanDerWaalsContact CD2-CA 3.5Å; H345-F446 WeakPolarHBondContact CD2-CA 3.39Å; H345-F446 VanDerWaalsContact CD2-CB 3.46Å; H345-F446 WeakPolarHBondContact CD2-CB 3.45Å; H345-F446 AromaticContact CD2-CD2 3.61Å; H345-F446 PolarHBondContact NE2-N 3.03Å
346G88.4Confident87.9Confident0 Ų044.1 Ų44.10%020%0.201CC..Hα-helixtrans-59-42175.800000113.1I342 W348 V349 L350 V375I342-G346 WeakPolarHBondContact O-CA 3.4Å; I342-G346 PolarHBondContact O-N 3.12Å; G346-W348 VanDerWaalsContact C-N 3.29Å; G346-W348 PolarHBondContact O-N 2.91Å; G346-V349 PolarHBondContact O-N 3.09Å; G346-L350 WeakPolarHBondContact O-CB 3.28Å; G346-L350 WeakPolarHBondContact O-CG 3.4Å; G346-L350 PolarHBondContact O-N 3.06Å; G346-V375 WeakPolarHBondContact O-CG1 3.27Å
347H90.8Very high87.7Confident97 Ų9749.3 Ų49.345%0.44922%0.217SC..Hα-helixtrans-61.9-38.1176.6-85.4-54000112.6Q343 H345 Q351Q343-H347 WeakPolarHBondContact O-CB 3.45Å; Q343-H347 PolarHBondContact O-CD2 3.34Å; Q343-H347 PolarHBondContact O-N 2.78Å; H345-H347 PolarHBondContact O-N 3.48Å; H347-Q351 PolarHBondContact O-N 3.35Å; H347-Q351 VanDerWaalsContact O-N 3.16Å
348W85.4Confident87.4Confident64 Ų6456.5 Ų56.524%0.24225%0.249CC..Hα-helixtrans-70.1-44.6177172.474.9000112.1N344 H345 G346 L350 Q351 R352 S425 E442N344-W348 PolarHBondContact O-N 2.9Å; H345-W348 AromaticContact CE1-CE3 3.76Å; H345-W348 AromaticContact CE1-CZ3 3.5Å; H345-W348 AromaticContact ND1-CE3 3.7Å; H345-W348 AromaticContact ND1-CZ3 3.9Å; H345-W348 PolarHBondContact O-N 3.11Å; H345-W348 VanDerWaalsContact O-N 3.14Å; G346-W348 VanDerWaalsContact C-N 3.29Å; G346-W348 PolarHBondContact O-N 2.91Å; W348-L350 VanDerWaalsContact C-N 3.3Å; W348-L350 PolarHBondContact O-N 3.32Å; W348-Q351 PolarHBondContact O-N 3.16Å; W348-R352 PolarHBondContact O-N 3.47Å; W348-S425 VanDerWaalsContact CH2-OG 3.27Å; W348-S425 WeakPolarHBondContact CH2-OG 3.32Å; W348-S425 VanDerWaalsContact CZ2-CB 3.48Å; W348-E442 HydrophobicContact CH2-CB 3.99Å; W348-E442 HydrophobicContact CH2-CG 3.52Å; W348-E442 WeakPolarHBondContact CH2-OE1 3.42Å; W348-E442 WeakPolarHBondContact CH2-OE2 3.31Å; W348-E442 WeakPolarHBondContact CZ2-OE2 3.47Å; W348-E442 HydrophobicContact CZ3-CB 3.87Å; W348-E442 HydrophobicContact CZ3-CG 3.91Å
349V85.6Confident87.1Confident7 Ų761.2 Ų61.24%0.04227%0.273CS..Hα-helixtrans-58.5-42.2173.7174.50000110.9H345 G346 R352 L353 V375 L443 F446H345-V349 WeakPolarHBondContact O-CG2 3.42Å; H345-V349 PolarHBondContact O-N 2.81Å; G346-V349 PolarHBondContact O-N 3.09Å; V349-R352 PolarHBondContact O-N 2.92Å; V349-L353 HydrophobicContact CG1-CD1 3.86Å; V349-L353 HydrophobicContact CG1-CG 4.24Å; V349-L353 WeakPolarHBondContact O-CB 3.49Å; V349-L353 WeakPolarHBondContact O-CG 3.47Å; V349-L353 PolarHBondContact O-N 3.02Å; V349-V375 HydrophobicContact CB-CG1 4.42Å; V349-V375 HydrophobicContact CG1-CG1 4.4Å; V349-V375 HydrophobicContact CG1-CG2 3.95Å; V349-L443 HydrophobicContact CG1-CD2 3.79Å; V349-F446 HydrophobicContact CG2-CB 4.41Å
350L88.5Confident86.5Confident15 Ų1562.6 Ų62.68%0.07928%0.284CS..Hα-helixtrans-59.5-48.8176.5-79.3177.5000112.9G346 W348 R352 L353 E354 L372 V375 R376 I379G346-L350 WeakPolarHBondContact O-CB 3.28Å; G346-L350 WeakPolarHBondContact O-CG 3.4Å; G346-L350 PolarHBondContact O-N 3.06Å; W348-L350 VanDerWaalsContact C-N 3.3Å; W348-L350 PolarHBondContact O-N 3.32Å; L350-R352 PolarHBondContact O-N 3.21Å; L350-L353 PolarHBondContact O-N 2.93Å; L350-E354 WeakPolarHBondContact O-CB 3.4Å; L350-E354 WeakPolarHBondContact O-CG 3.42Å; L350-E354 PolarHBondContact O-N 3.49Å; L350-L372 HydrophobicContact CD2-CD2 3.7Å; L350-L372 WeakPolarHBondContact CD2-O 3.17Å; L350-V375 HydrophobicContact CD1-CG1 4.34Å; L350-V375 HydrophobicContact CD2-CB 3.79Å; L350-V375 HydrophobicContact CD2-CG1 3.88Å; L350-V375 HydrophobicContact CG-CB 4.13Å; L350-V375 HydrophobicContact CG-CG1 3.62Å; L350-R376 HydrophobicContact CD1-CG 3.83Å; L350-R376 HydrophobicContact CD2-CG 3.74Å; L350-R376 HydrophobicContact CG-CG 4.47Å; L350-I379 HydrophobicContact CD1-CD1 3.35Å; L350-I379 HydrophobicContact CG-CD1 4.16Å
351Q88.1Confident85.8Confident136 Ų13662.8 Ų62.864%0.63629%0.294SS*.Hα-helixtrans-58.9-38.3-179.8-173.5178.7-2.200111.3H347 W348 Q355H347-Q351 PolarHBondContact O-N 3.35Å; H347-Q351 VanDerWaalsContact O-N 3.16Å; W348-Q351 PolarHBondContact O-N 3.16Å; Q351-Q355 PolarHBondContact O-N 3.36Å
352R82.8Confident85.1Confident42 Ų4269.7 Ų69.716%0.15833%0.327CS..Hα-helixtrans-73.4-42.8-179.9-165.6165.3-179.2167.5-2.2112.4W348 V349 L350 E354 Q355 R356 E439 E442W348-R352 PolarHBondContact O-N 3.47Å; V349-R352 PolarHBondContact O-N 2.92Å; L350-R352 PolarHBondContact O-N 3.21Å; R352-E354 VanDerWaalsContact C-N 3.32Å; R352-E354 PolarHBondContact O-N 3.49Å; R352-Q355 PolarHBondContact O-N 3.47Å; R352-R356 PolarHBondContact O-N 2.96Å; R352-E439 IonicContact CZ-OE1 3.03Å; R352-E439 IonicContact NE-OE1 3.36Å; R352-E439 PolarHBondContact NE-OE1 3.34Å; R352-E439 IonicContact NH2-OE1 2.71Å; R352-E439 PolarHBondContact NH2-OE1 2.88Å; R352-E442 IonicContact CZ-OE1 2.72Å; R352-E442 IonicContact CZ-OE2 3.7Å; R352-E442 IonicContact NE-OE2 3.77Å; R352-E442 IonicContact NH1-OE1 2.88Å; R352-E442 PolarHBondContact NH1-OE1 3.34Å; R352-E442 IonicContact NH1-OE2 2.8Å; R352-E442 PolarHBondContact NH1-OE2 2.87Å
353L85.5Confident84.5Confident10 Ų1080.3 Ų80.35%0.05237%0.366CS..Hα-helixtrans-63-37173.2-73175.9000111.9V349 L350 R356 R357 R371 L372 V375V349-L353 HydrophobicContact CG1-CD1 3.86Å; V349-L353 HydrophobicContact CG1-CG 4.24Å; V349-L353 WeakPolarHBondContact O-CB 3.49Å; V349-L353 WeakPolarHBondContact O-CG 3.47Å; V349-L353 PolarHBondContact O-N 3.02Å; L350-L353 PolarHBondContact O-N 2.93Å; L353-R356 PolarHBondContact O-N 3.03Å; L353-R357 PolarHBondContact O-N 3.21Å; L353-R371 HydrophobicContact CD1-CB 3.98Å; L353-L372 HydrophobicContact CB-CD2 3.37Å; L353-L372 HydrophobicContact CB-CG 3.83Å; L353-L372 HydrophobicContact CD1-CD2 4.21Å; L353-L372 HydrophobicContact CD1-CG 4.42Å; L353-L372 HydrophobicContact CG-CD2 4.45Å; L353-V375 HydrophobicContact CD1-CG2 4.26Å
354E87.8Confident84Confident73 Ų7384.7 Ų84.734%0.34139%0.387SS..Hα-helixtrans-66.3-40.6174.9-79.4172175.500112.1L350 R352 R356 R357 Q358 L372 R376L350-E354 WeakPolarHBondContact O-CB 3.4Å; L350-E354 WeakPolarHBondContact O-CG 3.42Å; L350-E354 PolarHBondContact O-N 3.49Å; R352-E354 VanDerWaalsContact C-N 3.32Å; R352-E354 PolarHBondContact O-N 3.49Å; E354-R356 VanDerWaalsContact C-N 3.34Å; E354-R357 WeakPolarHBondContact O-CB 3.46Å; E354-R357 PolarHBondContact O-N 3.28Å; E354-Q358 PolarHBondContact O-N 2.85Å; E354-L372 HydrophobicContact CG-CD1 4.28Å; E354-L372 HydrophobicContact CG-CD2 3.75Å; E354-R376 IonicContact OE1-CZ 3.63Å; E354-R376 IonicContact OE1-NH2 3.41Å; E354-R376 PolarHBondContact OE1-NH2 3.41Å
355Q85.6Confident83.5Confident112 Ų11283.6 Ų83.652%0.52339%0.386SS..Hα-helixtrans-63.7-39.9173.3-172.4178.4400111.7Q351 R352 Q358Q351-Q355 PolarHBondContact O-N 3.36Å; R352-Q355 PolarHBondContact O-N 3.47Å; Q355-Q358 PolarHBondContact O-N 3.22Å
356R81.1Confident83.4Confident80 Ų8086.7 Ų86.730%0.30241%0.408SS..Hα-helixtrans-65.6-40.5175-167.4-174.6-116.4-162.9-10.8111.4R352 L353 E354 Q358 Q359 A360 I368 E439R352-R356 PolarHBondContact O-N 2.96Å; L353-R356 PolarHBondContact O-N 3.03Å; E354-R356 VanDerWaalsContact C-N 3.34Å; R356-Q358 PolarHBondContact O-N 3.27Å; R356-Q359 CarbonylContact O-C 3.49Å; R356-Q359 PolarHBondContact O-N 3.29Å; R356-A360 VanDerWaalsContact O-CB 3.24Å; R356-A360 WeakPolarHBondContact O-CB 3.18Å; R356-A360 PolarHBondContact O-N 3.2Å; R356-I368 HydrophobicContact CG-CD1 3.94Å; R356-E439 IonicContact CZ-OE2 3.27Å; R356-E439 IonicContact NE-OE2 3.03Å; R356-E439 PolarHBondContact NE-OE2 3.38Å; R356-E439 IonicContact NH2-OE2 2.73Å; R356-E439 PolarHBondContact NH2-OE2 3.44Å
357R84.6Confident83.2Confident126 Ų12688.3 Ų88.348%0.47543%0.425SS..Hα-helixtrans-55.3-36.1176.2-161.3-16494.9176.85.1112.6L353 E354 Q359 I368 E369 L372L353-R357 PolarHBondContact O-N 3.21Å; E354-R357 WeakPolarHBondContact O-CB 3.46Å; E354-R357 PolarHBondContact O-N 3.28Å; R357-Q359 VanDerWaalsContact C-N 3.28Å; R357-Q359 PolarHBondContact O-N 2.92Å; R357-I368 HydrophobicContact CB-CG2 4.07Å; R357-I368 HydrophobicContact CG-CG2 4.39Å; R357-E369 WeakPolarHBondContact CD-OE2 3.41Å; R357-E369 IonicContact NH1-OE2 2.62Å; R357-L372 HydrophobicContact CB-CD1 4.49Å
358Q84.4Confident82.8Confident160 Ų16084.2 Ų84.275%0.74841%0.406SS*.Hα-helixtrans-72.1-21.3178.1-65.4175.611.800113.4E354 Q355 R356E354-Q358 PolarHBondContact O-N 2.85Å; Q355-Q358 PolarHBondContact O-N 3.22Å; R356-Q358 PolarHBondContact O-N 3.27Å
359Q81.3Confident82.9Confident148 Ų14884.7 Ų84.769%0.69241%0.411SS*.Hα-helixtrans-110.9-10.1-175.9-61.217532.800113R356 R357R356-Q359 CarbonylContact O-C 3.49Å; R356-Q359 PolarHBondContact O-N 3.29Å; R357-Q359 VanDerWaalsContact C-N 3.28Å; R357-Q359 PolarHBondContact O-N 2.92Å
360A78.4Confident83Confident29 Ų2989.8 Ų89.824%0.2443%0.434CS..  trans-75.7153-174.300000112.8R356 E364 I368R356-A360 VanDerWaalsContact O-CB 3.24Å; R356-A360 WeakPolarHBondContact O-CB 3.18Å; R356-A360 PolarHBondContact O-N 3.2Å; A360-E364 HydrophobicContact CB-CB 4.47Å; A360-I368 HydrophobicContact CB-CD1 3.37Å
361S76.8Confident82.8Confident60 Ų6093.6 Ų93.642%0.4245%0.448SS..  trans-74.9156.6173.868.60000111.8R363 E364 A365S361-R363 PolarHBondContact O-N 3.05Å; S361-E364 PolarHBondContact O-N 3.01Å; S361-E364 PolarHBondContact OG-OE2 3.42Å; S361-A365 PolarHBondContact O-N 2.95Å; S361-A365 VanDerWaalsContact O-N 3.13Å
362E76.1Confident82.9Confident188 Ų18887.1 Ų87.188%0.87942%0.417SS*.THydrogen-bonded Turntrans-56.5-23.2179-74-175.6161.800113.9
363R76.3Confident83.2Confident235 Ų23591.9 Ų91.989%0.88744%0.441SS*.THydrogen-bonded Turntrans-78.3-27.7177.4-72.3-174178.9-176.1-0.1113.8S361S361-R363 PolarHBondContact O-N 3.05Å
364E78.8Confident83.3Confident115 Ų11596 Ų9654%0.53746%0.461SS..THydrogen-bonded Turntrans-96.4-18.9-177.8-67.1162.5155.900112.1A360 S361 P366 G367 I368A360-E364 HydrophobicContact CB-CB 4.47Å; S361-E364 PolarHBondContact O-N 3.01Å; S361-E364 PolarHBondContact OG-OE2 3.42Å; E364-P366 VanDerWaalsContact C-CD 3.5Å; E364-G367 PolarHBondContact O-N 2.79Å; E364-I368 HydrophobicContact CB-CD1 4.22Å; E364-I368 WeakPolarHBondContact O-CG1 3.28Å; E364-I368 PolarHBondContact O-N 3.01Å; E364-I368 VanDerWaalsContact O-N 3.08Å
365A79.8Confident83.3Confident37 Ų3792.8 Ų92.831%0.30645%0.446SS..Hα-helixtrans-49.6-46.9178.300000114.8S361 G367 I368 E369S361-A365 PolarHBondContact O-N 2.95Å; S361-A365 VanDerWaalsContact O-N 3.13Å; A365-G367 PolarHBondContact O-N 3.36Å; A365-I368 PolarHBondContact O-N 3Å; A365-E369 WeakPolarHBondContact O-CB 3.33Å; A365-E369 PolarHBondContact O-N 2.97Å
366P84.3Confident83.5Confident86 Ų8692.7 Ų92.756%0.55844%0.441SS*.Hα-helixtrans-67.7-36-179.325.4-33.9000113.1E364 E369 Q370E364-P366 VanDerWaalsContact C-CD 3.5Å; P366-E369 PolarHBondContact O-N 2.74Å; P366-Q370 PolarHBondContact O-N 3.18Å
367G84.9Confident83.9Confident34 Ų3492.3 Ų92.335%0.35144%0.442SS..Hα-helixtrans-70-35.2177.400000112.7E364 A365 R371E364-G367 PolarHBondContact O-N 2.79Å; A365-G367 PolarHBondContact O-N 3.36Å; G367-R371 WeakPolarHBondContact O-CG 3.46Å; G367-R371 PolarHBondContact O-N 3.27Å
368I83.8Confident84Confident11 Ų1186.5 Ų86.56%0.05642%0.421CS..Hα-helixtrans-70.2-40.3174.3-64.7165.3000110.8R356 R357 A360 E364 A365 Q370 R371 L372R356-I368 HydrophobicContact CG-CD1 3.94Å; R357-I368 HydrophobicContact CB-CG2 4.07Å; R357-I368 HydrophobicContact CG-CG2 4.39Å; A360-I368 HydrophobicContact CB-CD1 3.37Å; E364-I368 HydrophobicContact CB-CD1 4.22Å; E364-I368 WeakPolarHBondContact O-CG1 3.28Å; E364-I368 PolarHBondContact O-N 3.01Å; E364-I368 VanDerWaalsContact O-N 3.08Å; A365-I368 PolarHBondContact O-N 3Å; I368-Q370 VanDerWaalsContact C-N 3.35Å; I368-R371 PolarHBondContact O-N 3.45Å; I368-L372 HydrophobicContact CG2-CD1 4.18Å; I368-L372 HydrophobicContact CG2-CG 4.5Å; I368-L372 WeakPolarHBondContact O-CB 3.43Å; I368-L372 WeakPolarHBondContact O-CG 3.31Å; I368-L372 PolarHBondContact O-N 3.04Å
369E86.7Confident84.3Confident75 Ų7579.1 Ų79.135%0.3539%0.387SS..Hα-helixtrans-64.6-39.2177-163.970.5-150.800111.6R357 A365 P366 L372 Q373R357-E369 WeakPolarHBondContact CD-OE2 3.41Å; R357-E369 IonicContact NH1-OE2 2.62Å; A365-E369 WeakPolarHBondContact O-CB 3.33Å; A365-E369 PolarHBondContact O-N 2.97Å; P366-E369 PolarHBondContact O-N 2.74Å; E369-L372 WeakPolarHBondContact O-CB 3.18Å; E369-L372 PolarHBondContact O-N 2.88Å; E369-Q373 PolarHBondContact O-N 3.11Å
370Q88.1Confident84.8Confident114 Ų11477.5 Ų77.553%0.53337%0.374SS..Hα-helixtrans-60.3-49.9173.8-175.5-175.6-16.600111.6P366 I368 L372 Q373 E374P366-Q370 PolarHBondContact O-N 3.18Å; I368-Q370 VanDerWaalsContact C-N 3.35Å; Q370-L372 VanDerWaalsContact C-N 3.32Å; Q370-L372 PolarHBondContact O-N 3.27Å; Q370-Q373 WeakPolarHBondContact O-CB 3.46Å; Q370-Q373 PolarHBondContact O-N 3.16Å; Q370-E374 WeakPolarHBondContact CG-OE1 3.4Å; Q370-E374 PolarHBondContact NE2-OE1 3.47Å; Q370-E374 WeakPolarHBondContact O-CG 3.36Å; Q370-E374 PolarHBondContact O-N 2.94Å
371R84.6Confident85.3Confident95 Ų9582.1 Ų82.136%0.35839%0.385SS..Hα-helixtrans-61.4-38.9177.2-70.9-179.2-176.1-170.9-0.7112.4L353 G367 I368 Q373 E374 V375 L443L353-R371 HydrophobicContact CD1-CB 3.98Å; G367-R371 WeakPolarHBondContact O-CG 3.46Å; G367-R371 PolarHBondContact O-N 3.27Å; I368-R371 PolarHBondContact O-N 3.45Å; R371-Q373 VanDerWaalsContact C-N 3.27Å; R371-Q373 PolarHBondContact O-N 3.43Å; R371-E374 PolarHBondContact O-N 3.49Å; R371-V375 WeakPolarHBondContact O-CG2 3.34Å; R371-V375 PolarHBondContact O-N 3.45Å; R371-L443 VanDerWaalsContact NH1-CD1 3.28Å
372L88.8Confident85.9Confident0 Ų079.4 Ų79.40%037%0.366CS..Hα-helixtrans-59.6-40173.8-79.8170.4000111.8L350 L353 E354 R357 I368 E369 Q370 R376L350-L372 HydrophobicContact CD2-CD2 3.7Å; L350-L372 WeakPolarHBondContact CD2-O 3.17Å; L353-L372 HydrophobicContact CB-CD2 3.37Å; L353-L372 HydrophobicContact CB-CG 3.83Å; L353-L372 HydrophobicContact CD1-CD2 4.21Å; L353-L372 HydrophobicContact CD1-CG 4.42Å; L353-L372 HydrophobicContact CG-CD2 4.45Å; E354-L372 HydrophobicContact CG-CD1 4.28Å; E354-L372 HydrophobicContact CG-CD2 3.75Å; R357-L372 HydrophobicContact CB-CD1 4.49Å; I368-L372 HydrophobicContact CG2-CD1 4.18Å; I368-L372 HydrophobicContact CG2-CG 4.5Å; I368-L372 WeakPolarHBondContact O-CB 3.43Å; I368-L372 WeakPolarHBondContact O-CG 3.31Å; I368-L372 PolarHBondContact O-N 3.04Å; E369-L372 WeakPolarHBondContact O-CB 3.18Å; E369-L372 PolarHBondContact O-N 2.88Å; Q370-L372 VanDerWaalsContact C-N 3.32Å; Q370-L372 PolarHBondContact O-N 3.27Å; L372-R376 WeakPolarHBondContact O-CB 3.35Å; L372-R376 VanDerWaalsContact O-CG 3.23Å; L372-R376 WeakPolarHBondContact O-CG 3.4Å; L372-R376 PolarHBondContact O-N 3.1Å; L372-R376 VanDerWaalsContact O-N 3.07Å
373Q88.9Confident86.7Confident141 Ų14174.4 Ų74.466%0.65934%0.343SS*.Hα-helixtrans-68.6-43.1177-172.4173.9-8.300111.9E369 Q370 R371 R376 E377E369-Q373 PolarHBondContact O-N 3.11Å; Q370-Q373 WeakPolarHBondContact O-CB 3.46Å; Q370-Q373 PolarHBondContact O-N 3.16Å; R371-Q373 VanDerWaalsContact C-N 3.27Å; R371-Q373 PolarHBondContact O-N 3.43Å; Q373-R376 PolarHBondContact O-N 2.95Å; Q373-E377 WeakPolarHBondContact O-CB 3.42Å; Q373-E377 PolarHBondContact O-N 3.33Å
374E87.9Confident87.3Confident98 Ų9866 Ų6646%0.45832%0.318SS..Hα-helixtrans-59.2-49176.9-72.2164.2-176.700111.6Q370 R371 R376 E377 S378Q370-E374 WeakPolarHBondContact CG-OE1 3.4Å; Q370-E374 PolarHBondContact NE2-OE1 3.47Å; Q370-E374 WeakPolarHBondContact O-CG 3.36Å; Q370-E374 PolarHBondContact O-N 2.94Å; R371-E374 PolarHBondContact O-N 3.49Å; E374-R376 PolarHBondContact O-N 2.83Å; E374-E377 PolarHBondContact O-N 3.04Å; E374-S378 PolarHBondContact O-N 3.38Å
375V87.9Confident87.8Confident5 Ų561.8 Ų61.83%0.0330%0.3CS..Hα-helixtrans-66.6-39.8179-178.10000111.3G346 V349 L350 L353 R371 E377 S378 I379 F446G346-V375 WeakPolarHBondContact O-CG1 3.27Å; V349-V375 HydrophobicContact CB-CG1 4.42Å; V349-V375 HydrophobicContact CG1-CG1 4.4Å; V349-V375 HydrophobicContact CG1-CG2 3.95Å; L350-V375 HydrophobicContact CD1-CG1 4.34Å; L350-V375 HydrophobicContact CD2-CB 3.79Å; L350-V375 HydrophobicContact CD2-CG1 3.88Å; L350-V375 HydrophobicContact CG-CB 4.13Å; L350-V375 HydrophobicContact CG-CG1 3.62Å; L353-V375 HydrophobicContact CD1-CG2 4.26Å; R371-V375 WeakPolarHBondContact O-CG2 3.34Å; R371-V375 PolarHBondContact O-N 3.45Å; V375-E377 VanDerWaalsContact C-N 3.3Å; V375-E377 PolarHBondContact O-N 3.37Å; V375-S378 PolarHBondContact O-N 3Å; V375-I379 HydrophobicContact CG1-CD1 4.27Å; V375-I379 WeakPolarHBondContact O-CG1 3.37Å; V375-I379 PolarHBondContact O-N 2.9Å; V375-F446 HydrophobicContact CB-CZ 4.46Å; V375-F446 HydrophobicContact CG1-CE1 4.4Å; V375-F446 HydrophobicContact CG1-CE2 4.29Å; V375-F446 HydrophobicContact CG1-CZ 3.94Å; V375-F446 HydrophobicContact CG2-CD1 4.47Å; V375-F446 HydrophobicContact CG2-CE1 3.98Å; V375-F446 HydrophobicContact CG2-CZ 4.35Å
376R90.6Very high88.4Confident110 Ų11063.2 Ų63.242%0.41530%0.301SS..Hα-helixtrans-59.3-42.3173.7-80.4171.2-176.2168.82.6111.6L350 E354 L372 Q373 E374 R380L350-R376 HydrophobicContact CD1-CG 3.83Å; L350-R376 HydrophobicContact CD2-CG 3.74Å; L350-R376 HydrophobicContact CG-CG 4.47Å; E354-R376 IonicContact OE1-CZ 3.63Å; E354-R376 IonicContact OE1-NH2 3.41Å; E354-R376 PolarHBondContact OE1-NH2 3.41Å; L372-R376 WeakPolarHBondContact O-CB 3.35Å; L372-R376 VanDerWaalsContact O-CG 3.23Å; L372-R376 WeakPolarHBondContact O-CG 3.4Å; L372-R376 PolarHBondContact O-N 3.1Å; L372-R376 VanDerWaalsContact O-N 3.07Å; Q373-R376 PolarHBondContact O-N 2.95Å; E374-R376 PolarHBondContact O-N 2.83Å; R376-R380 WeakPolarHBondContact O-CB 3.37Å; R376-R380 PolarHBondContact O-N 2.81Å
377E88.7Confident88.7Confident72 Ų7264.1 Ų64.134%0.33631%0.305SS..Hα-helixtrans-67.3-40.6178.6-176.455.1-153.100111.6Q373 E374 V375 R380 R381Q373-E377 WeakPolarHBondContact O-CB 3.42Å; Q373-E377 PolarHBondContact O-N 3.33Å; E374-E377 PolarHBondContact O-N 3.04Å; V375-E377 VanDerWaalsContact C-N 3.3Å; V375-E377 PolarHBondContact O-N 3.37Å; E377-R380 VanDerWaalsContact CD-NE 3.26Å; E377-R380 WeakPolarHBondContact O-CB 3.39Å; E377-R380 PolarHBondContact O-N 2.99Å; E377-R380 IonicContact OE1-CZ 3.17Å; E377-R380 IonicContact OE1-NE 3.64Å; E377-R380 PolarHBondContact OE1-NE 3.35Å; E377-R380 IonicContact OE1-NH2 2.84Å; E377-R380 PolarHBondContact OE1-NH2 2.88Å; E377-R380 WeakPolarHBondContact OE2-CD 3.2Å; E377-R380 IonicContact OE2-CZ 2.79Å; E377-R380 IonicContact OE2-NE 3.13Å; E377-R380 PolarHBondContact OE2-NE 3.21Å; E377-R381 WeakPolarHBondContact O-CG 3.35Å; E377-R381 PolarHBondContact O-N 2.9Å
378S87.2Confident89Confident3 Ų368.8 Ų68.82%0.02132%0.315CS..Hα-helixtrans-61.9-45.6174.8-168.50000112.5E374 V375 R380 R381 A382 E450E374-S378 PolarHBondContact O-N 3.38Å; V375-S378 PolarHBondContact O-N 3Å; S378-R380 VanDerWaalsContact C-N 3.35Å; S378-R380 PolarHBondContact O-N 3.07Å; S378-R381 PolarHBondContact O-N 3.26Å; S378-A382 PolarHBondContact O-N 2.94Å; S378-E450 VanDerWaalsContact CB-OE1 3.26Å; S378-E450 WeakPolarHBondContact CB-OE1 3.49Å; S378-E450 PolarHBondContact OG-OE1 3.46Å
379I90.3Very high89.2Confident6 Ų668.8 Ų68.83%0.03132%0.318CS..Hα-helixtrans-60.6-44.5173.6-65.4173.3000110.8Q343 L350 V375 R381 A382 Q383Q343-I379 HydrophobicContact CG-CG2 4.36Å; L350-I379 HydrophobicContact CD1-CD1 3.35Å; L350-I379 HydrophobicContact CG-CD1 4.16Å; V375-I379 HydrophobicContact CG1-CD1 4.27Å; V375-I379 WeakPolarHBondContact O-CG1 3.37Å; V375-I379 PolarHBondContact O-N 2.9Å; I379-R381 PolarHBondContact O-N 3.26Å; I379-A382 PolarHBondContact O-N 3.44Å; I379-Q383 HydrophobicContact CG2-CG 4.36Å; I379-Q383 WeakPolarHBondContact O-CG 3.25Å; I379-Q383 PolarHBondContact O-N 3.33Å
380R92.3Very high89.4Confident114 Ų11467.6 Ų67.643%0.4332%0.321SS..Hα-helixtrans-58.4-46.3176.5-173-157.472.579.20.2111.1R376 E377 S378 Q383 V384R376-R380 WeakPolarHBondContact O-CB 3.37Å; R376-R380 PolarHBondContact O-N 2.81Å; E377-R380 VanDerWaalsContact CD-NE 3.26Å; E377-R380 WeakPolarHBondContact O-CB 3.39Å; E377-R380 PolarHBondContact O-N 2.99Å; E377-R380 IonicContact OE1-CZ 3.17Å; E377-R380 IonicContact OE1-NE 3.64Å; E377-R380 PolarHBondContact OE1-NE 3.35Å; E377-R380 IonicContact OE1-NH2 2.84Å; E377-R380 PolarHBondContact OE1-NH2 2.88Å; E377-R380 WeakPolarHBondContact OE2-CD 3.2Å; E377-R380 IonicContact OE2-CZ 2.79Å; E377-R380 IonicContact OE2-NE 3.13Å; E377-R380 PolarHBondContact OE2-NE 3.21Å; S378-R380 VanDerWaalsContact C-N 3.35Å; S378-R380 PolarHBondContact O-N 3.07Å; R380-Q383 PolarHBondContact O-N 2.92Å; R380-V384 WeakPolarHBondContact O-CG2 3.38Å; R380-V384 PolarHBondContact O-N 2.89Å
381R88.9Confident89.6Confident126 Ų12665.1 Ų65.148%0.47532%0.32SS..Hα-helixtrans-60.1-45.3176.7-72.7-171.2-66.1-161.12.2111.5E377 S378 I379 V384 S385 E450E377-R381 WeakPolarHBondContact O-CG 3.35Å; E377-R381 PolarHBondContact O-N 2.9Å; S378-R381 PolarHBondContact O-N 3.26Å; I379-R381 PolarHBondContact O-N 3.26Å; R381-V384 PolarHBondContact O-N 2.9Å; R381-S385 WeakPolarHBondContact O-CB 3.46Å; R381-S385 PolarHBondContact O-N 3.12Å; R381-E450 IonicContact CZ-OE1 3.47Å; R381-E450 IonicContact NH2-OE1 3.31Å; R381-E450 PolarHBondContact NH2-OE1 3.4Å
382A89.1Confident89.9Confident2 Ų265.4 Ų65.42%0.01732%0.321CS..Hα-helixtrans-63.4-39.6176.800000112.5D339 I342 Q343 S378 I379 S385 Q386D339-A382 HydrophobicContact CB-CB 4.11Å; I342-A382 HydrophobicContact CB-CB 4.13Å; I342-A382 HydrophobicContact CG2-CB 3.83Å; Q343-A382 HydrophobicContact CG-CB 3.89Å; S378-A382 PolarHBondContact O-N 2.94Å; I379-A382 PolarHBondContact O-N 3.44Å; A382-S385 PolarHBondContact O-N 3.09Å; A382-Q386 VanDerWaalsContact O-CB 3.31Å; A382-Q386 WeakPolarHBondContact O-CB 3.5Å; A382-Q386 PolarHBondContact O-N 3.39Å
383Q92.5Very high90Very high84 Ų8466 Ų6639%0.39332%0.324SS..Hα-helixtrans-64.5-44.6174.8-73.8174.2-9.500112Q343 I379 R380 Q386 V387Q343-Q383 HydrophobicContact CG-CG 4.14Å; I379-Q383 HydrophobicContact CG2-CG 4.36Å; I379-Q383 WeakPolarHBondContact O-CG 3.25Å; I379-Q383 PolarHBondContact O-N 3.33Å; R380-Q383 PolarHBondContact O-N 2.92Å; Q383-Q386 PolarHBondContact O-N 3.32Å; Q383-V387 WeakPolarHBondContact O-CG2 3.42Å; Q383-V387 PolarHBondContact O-N 3.43Å
384V89.3Confident90.1Very high59 Ų5963.8 Ų63.836%0.35832%0.321SS..Hα-helixtrans-63-44.5176172.40000111R380 R381 Q386 V387 K388R380-V384 WeakPolarHBondContact O-CG2 3.38Å; R380-V384 PolarHBondContact O-N 2.89Å; R381-V384 PolarHBondContact O-N 2.9Å; V384-Q386 VanDerWaalsContact C-N 3.34Å; V384-Q386 PolarHBondContact O-N 3.27Å; V384-V387 PolarHBondContact O-N 2.99Å; V384-K388 HydrophobicContact CG1-CD 4.16Å; V384-K388 WeakPolarHBondContact O-CG 3.49Å; V384-K388 PolarHBondContact O-N 3.25Å
385S89.6Confident90.2Very high25 Ų2564.2 Ų64.218%0.17533%0.325CS..Hα-helixtrans-58.6-44.8175.1176.30000111.5R335 D339 R381 A382 V387 K388 G389R335-S385 PolarHBondContact NE-OG 3.38Å; D339-S385 PolarHBondContact OD1-OG 3.16Å; D339-S385 WeakPolarHBondContact OD2-CB 3.38Å; D339-S385 PolarHBondContact OD2-OG 3.38Å; R381-S385 WeakPolarHBondContact O-CB 3.46Å; R381-S385 PolarHBondContact O-N 3.12Å; A382-S385 PolarHBondContact O-N 3.09Å; S385-V387 PolarHBondContact O-N 3.41Å; S385-K388 PolarHBondContact O-N 3.08Å; S385-G389 PolarHBondContact O-N 2.95Å
386Q91.4Very high90.3Very high68 Ų6864.4 Ų64.432%0.31833%0.326SS..Hα-helixtrans-61.6-44.5176.9-174.4-176.233.800112.4A382 Q383 V384 G389 A390A382-Q386 VanDerWaalsContact O-CB 3.31Å; A382-Q386 WeakPolarHBondContact O-CB 3.5Å; A382-Q386 PolarHBondContact O-N 3.39Å; Q383-Q386 PolarHBondContact O-N 3.32Å; V384-Q386 VanDerWaalsContact C-N 3.34Å; V384-Q386 PolarHBondContact O-N 3.27Å; Q386-G389 PolarHBondContact O-N 2.96Å; Q386-A390 WeakPolarHBondContact O-CB 3.3Å; Q386-A390 PolarHBondContact O-N 2.87Å
387V91.7Very high90.2Very high105 Ų10564 Ų6464%0.63633%0.329SS*.Hα-helixtrans-62.7-46.3177.2172.20000110.9Q383 V384 S385 A391Q383-V387 WeakPolarHBondContact O-CG2 3.42Å; Q383-V387 PolarHBondContact O-N 3.43Å; V384-V387 PolarHBondContact O-N 2.99Å; S385-V387 PolarHBondContact O-N 3.41Å; V387-A391 PolarHBondContact O-N 3.44Å; V387-A391 VanDerWaalsContact O-N 3.12Å
388K90.2Very high90.1Very high132 Ų13264 Ų6457%0.57435%0.349SS*.Hα-helixtrans-61.1-47.9176.5-71.4178.2178.1-174.50111.5V384 S385 A391 R392V384-K388 HydrophobicContact CG1-CD 4.16Å; V384-K388 WeakPolarHBondContact O-CG 3.49Å; V384-K388 PolarHBondContact O-N 3.25Å; S385-K388 PolarHBondContact O-N 3.08Å; K388-A391 PolarHBondContact O-N 2.96Å; K388-R392 WeakPolarHBondContact O-CG 3.48Å; K388-R392 PolarHBondContact O-N 3.03Å; K388-R392 VanDerWaalsContact O-N 3.1Å
389G88.8Confident89.9Confident11 Ų1165.3 Ų65.311%0.11336%0.359CS..Hα-helixtrans-64.4-43.5-179.900000112.7S385 Q386 A391 R392 L393S385-G389 PolarHBondContact O-N 2.95Å; Q386-G389 PolarHBondContact O-N 2.96Å; G389-A391 VanDerWaalsContact C-N 3.34Å; G389-A391 PolarHBondContact O-N 3.26Å; G389-R392 PolarHBondContact O-N 3.13Å; G389-L393 WeakPolarHBondContact O-CB 3.35Å; G389-L393 VanDerWaalsContact O-CG 3.31Å; G389-L393 WeakPolarHBondContact O-CG 3.34Å; G389-L393 PolarHBondContact O-N 3.46Å
390A91.5Very high89.5Confident49 Ų4968 Ų6841%0.40539%0.389SS..Hα-helixtrans-62-40.1176.600000112.2Q386 L393 T394Q386-A390 WeakPolarHBondContact O-CB 3.3Å; Q386-A390 PolarHBondContact O-N 2.87Å; A390-L393 PolarHBondContact O-N 3.3Å; A390-T394 WeakPolarHBondContact O-CB 3.46Å; A390-T394 PolarHBondContact O-N 3.45Å; A390-T394 PolarHBondContact O-OG1 3.07Å
391A90.8Very high89.2Confident63 Ų6363.2 Ų63.252%0.52137%0.372SS..Hα-helixtrans-62.9-45.7174.500000111.9V387 K388 G389 T394 L395V387-A391 PolarHBondContact O-N 3.44Å; V387-A391 VanDerWaalsContact O-N 3.12Å; K388-A391 PolarHBondContact O-N 2.96Å; G389-A391 VanDerWaalsContact C-N 3.34Å; G389-A391 PolarHBondContact O-N 3.26Å; A391-T394 PolarHBondContact O-N 2.84Å; A391-L395 PolarHBondContact O-N 3.49Å
392R91.4Very high89Confident101 Ų10162.1 Ų62.138%0.38138%0.375SS..Hα-helixtrans-61.8-46.3175.5-69.7177.3-179.5-179.40.1112L332 K388 G389 T394 L395 L396 E458L332-R392 HydrophobicContact CD1-CB 3.69Å; K388-R392 WeakPolarHBondContact O-CG 3.48Å; K388-R392 PolarHBondContact O-N 3.03Å; K388-R392 VanDerWaalsContact O-N 3.1Å; G389-R392 PolarHBondContact O-N 3.13Å; R392-T394 VanDerWaalsContact C-N 3.3Å; R392-T394 PolarHBondContact O-N 3.44Å; R392-L395 WeakPolarHBondContact O-CB 3.44Å; R392-L395 PolarHBondContact O-N 2.84Å; R392-L396 VanDerWaalsContact O-CG 3.31Å; R392-L396 WeakPolarHBondContact O-CG 3.49Å; R392-L396 PolarHBondContact O-N 2.95Å; R392-E458 IonicContact CZ-OE1 3.02Å; R392-E458 VanDerWaalsContact CZ-OE1 3.3Å; R392-E458 IonicContact NH1-OE1 3.89Å; R392-E458 PolarHBondContact NH1-OE1 3.34Å; R392-E458 IonicContact NH2-OE1 3.21Å; R392-E458 PolarHBondContact NH2-OE1 3.23Å
393L90.8Very high88.9Confident12 Ų1262.2 Ų62.26%0.06338%0.376CS..Hα-helixtrans-61.4-37.5176.6-73.1179.5000112.3V329 L332 T333 G389 A390 L396 Q397 V403 L407V329-L393 HydrophobicContact CG1-CD2 4.5Å; L332-L393 HydrophobicContact CB-CD1 4.43Å; L332-L393 HydrophobicContact CB-CD2 3.63Å; L332-L393 HydrophobicContact CB-CG 3.98Å; L332-L393 HydrophobicContact CD1-CD2 3.95Å; L332-L393 HydrophobicContact CD1-CG 4.28Å; L332-L393 HydrophobicContact CG-CD2 4.47Å; T333-L393 HydrophobicContact CG2-CD1 4.15Å; T333-L393 HydrophobicContact CG2-CD2 4.09Å; G389-L393 WeakPolarHBondContact O-CB 3.35Å; G389-L393 VanDerWaalsContact O-CG 3.31Å; G389-L393 WeakPolarHBondContact O-CG 3.34Å; G389-L393 PolarHBondContact O-N 3.46Å; A390-L393 PolarHBondContact O-N 3.3Å; L393-L396 HydrophobicContact CD2-CD1 4.4Å; L393-L396 PolarHBondContact O-N 3.09Å; L393-Q397 WeakPolarHBondContact O-CB 3.31Å; L393-Q397 PolarHBondContact O-N 3.25Å; L393-V403 HydrophobicContact CB-CG1 4.2Å; L393-V403 HydrophobicContact CD1-CG1 4.36Å; L393-V403 HydrophobicContact CD2-CG1 3.77Å; L393-V403 HydrophobicContact CD2-CG2 4.45Å; L393-V403 HydrophobicContact CG-CG1 4.33Å; L393-L407 HydrophobicContact CD1-CD1 4.4Å
394T91.9Very high88.8Confident95 Ų9561.4 Ų61.458%0.58337%0.372SS*.Hα-helixtrans-64-42.4175.2-570000111.1A390 A391 R392 Q397 G398A390-T394 WeakPolarHBondContact O-CB 3.46Å; A390-T394 PolarHBondContact O-N 3.45Å; A390-T394 PolarHBondContact O-OG1 3.07Å; A391-T394 PolarHBondContact O-N 2.84Å; R392-T394 VanDerWaalsContact C-N 3.3Å; R392-T394 PolarHBondContact O-N 3.44Å; T394-Q397 PolarHBondContact O-N 2.95Å; T394-G398 PolarHBondContact O-N 3.4Å
395L90.3Very high88.9Confident107 Ų10766.6 Ų66.656%0.5639%0.385SS*.Hα-helixtrans-63.1-45.4175.2-176.165.4000111.7A391 R392 G398 A399A391-L395 PolarHBondContact O-N 3.49Å; R392-L395 WeakPolarHBondContact O-CB 3.44Å; R392-L395 PolarHBondContact O-N 2.84Å; L395-G398 PolarHBondContact O-N 3.43Å; L395-A399 PolarHBondContact O-N 3.31Å
396L89.3Confident88.8Confident9 Ų969.8 Ų69.85%0.04739%0.393CS..Hα-helixtrans-63.2-41.4177.6-66.9167.6000112L312 L325 E328 V329 L332 R392 L393 G398 A399 L401 V403L312-L396 HydrophobicContact CD2-CD2 3.71Å; L325-L396 HydrophobicContact CB-CD2 4.34Å; L325-L396 HydrophobicContact CD2-CD2 3.88Å; E328-L396 HydrophobicContact CG-CD1 4.36Å; V329-L396 HydrophobicContact CG2-CB 4.16Å; V329-L396 HydrophobicContact CG2-CD1 3.68Å; V329-L396 HydrophobicContact CG2-CG 4.39Å; L332-L396 HydrophobicContact CD1-CD1 3.74Å; R392-L396 VanDerWaalsContact O-CG 3.31Å; R392-L396 WeakPolarHBondContact O-CG 3.49Å; R392-L396 PolarHBondContact O-N 2.95Å; L393-L396 HydrophobicContact CD2-CD1 4.4Å; L393-L396 PolarHBondContact O-N 3.09Å; L396-G398 VanDerWaalsContact C-N 3.34Å; L396-A399 PolarHBondContact O-N 3.5Å; L396-L401 HydrophobicContact CB-CD1 4.06Å; L396-L401 HydrophobicContact CD2-CD1 3.8Å; L396-L401 WeakPolarHBondContact O-CB 3.3Å; L396-L401 PolarHBondContact O-N 2.99Å; L396-V403 HydrophobicContact CB-CG2 4.23Å
397Q88.9Confident88.7Confident100 Ų10068.3 Ų68.347%0.46739%0.387SS..Hα-helixtrans-63.7-40.1174.5-173.1177.6-300111.5L393 T394 A399 G400 V403L393-Q397 WeakPolarHBondContact O-CB 3.31Å; L393-Q397 PolarHBondContact O-N 3.25Å; T394-Q397 PolarHBondContact O-N 2.95Å; Q397-A399 PolarHBondContact O-N 3.42Å; Q397-G400 PolarHBondContact O-N 2.99Å; Q397-G400 VanDerWaalsContact O-N 3.13Å; Q397-V403 HydrophobicContact CB-CB 4.46Å; Q397-V403 HydrophobicContact CB-CG2 3.95Å
398G85.4Confident88.7Confident73 Ų7369.8 Ų69.875%0.75339%0.385SS*.Hα-helixtrans-63.8-27.3174.700000113.8T394 L395 L396 G400T394-G398 PolarHBondContact O-N 3.4Å; L395-G398 PolarHBondContact O-N 3.43Å; L396-G398 VanDerWaalsContact C-N 3.34Å; G398-G400 VanDerWaalsContact C-N 3.27Å; G398-G400 PolarHBondContact O-N 3.2Å
399A84.1Confident88.8Confident30 Ų3067.2 Ų67.225%0.24838%0.382CS..THydrogen-bonded Turntrans-80.8-0.5174.600000114.2L312 L395 L396 Q397L312-A399 HydrophobicContact CB-CB 4.08Å; L312-A399 HydrophobicContact CD2-CB 3.42Å; L312-A399 VanDerWaalsContact CD2-CB 3.42Å; L312-A399 HydrophobicContact CG-CB 4.33Å; L395-A399 PolarHBondContact O-N 3.31Å; L396-A399 PolarHBondContact O-N 3.5Å; Q397-A399 PolarHBondContact O-N 3.42Å
400G80.8Confident88.9Confident63 Ų6367.6 Ų67.665%0.64938%0.384SS*.THydrogen-bonded Turntrans98.57.8174.700000115.9Q397 G398Q397-G400 PolarHBondContact O-N 2.99Å; Q397-G400 VanDerWaalsContact O-N 3.13Å; G398-G400 VanDerWaalsContact C-N 3.27Å; G398-G400 PolarHBondContact O-N 3.2Å
401L85.9Confident88.9Confident14 Ų1467.1 Ų67.17%0.07337%0.374CS..  trans-79.6138.7174.9-72155000111.9W314 L325 E326 V329 L396 V403W314-L401 HydrophobicContact CD2-CD2 3.91Å; W314-L401 HydrophobicContact CD2-CG 4.3Å; W314-L401 HydrophobicContact CE3-CD1 4.3Å; W314-L401 HydrophobicContact CE3-CD2 3.82Å; W314-L401 HydrophobicContact CE3-CG 4.32Å; W314-L401 HydrophobicContact CH2-CD2 3.71Å; W314-L401 HydrophobicContact CZ2-CD2 3.83Å; W314-L401 HydrophobicContact CZ3-CD2 3.71Å; L325-L401 HydrophobicContact CB-CD1 3.81Å; E326-L401 HydrophobicContact CG-CD2 3.85Å; V329-L401 HydrophobicContact CG2-CD1 4.36Å; L396-L401 HydrophobicContact CB-CD1 4.06Å; L396-L401 HydrophobicContact CD2-CD1 3.8Å; L396-L401 WeakPolarHBondContact O-CB 3.3Å; L396-L401 PolarHBondContact O-N 2.99Å; L401-V403 VanDerWaalsContact C-N 3.31Å; L401-V403 PolarHBondContact O-N 3.32Å
402D84.8Confident89Confident103 Ų10367.4 Ų67.455%0.55137%0.369SS*.  trans-80.376.7175.1-172.84.2000111.7Q404 R405D402-Q404 PolarHBondContact O-N 3.22Å; D402-Q404 PolarHBondContact OD1-N 3.49Å; D402-R405 HydrophobicContact CB-CB 4.49Å; D402-R405 WeakPolarHBondContact O-CB 3.34Å; D402-R405 PolarHBondContact O-N 3.06Å; D402-R405 PolarHBondContact OD1-N 3.18Å
403V88.6Confident89Confident3 Ų368.1 Ų68.12%0.01838%0.377CS..THydrogen-bonded Turntrans-60.4-32.9176.4174.10000112.3V329 T333 L393 L396 Q397 L401 R405 W406 L407V329-V403 HydrophobicContact CG1-CB 4.34Å; V329-V403 HydrophobicContact CG1-CG1 4.36Å; V329-V403 HydrophobicContact CG1-CG2 4.16Å; V329-V403 HydrophobicContact CG2-CG2 4.07Å; T333-V403 HydrophobicContact CG2-CG1 4.34Å; L393-V403 HydrophobicContact CB-CG1 4.2Å; L393-V403 HydrophobicContact CD1-CG1 4.36Å; L393-V403 HydrophobicContact CD2-CG1 3.77Å; L393-V403 HydrophobicContact CD2-CG2 4.45Å; L393-V403 HydrophobicContact CG-CG1 4.33Å; L396-V403 HydrophobicContact CB-CG2 4.23Å; Q397-V403 HydrophobicContact CB-CB 4.46Å; Q397-V403 HydrophobicContact CB-CG2 3.95Å; L401-V403 VanDerWaalsContact C-N 3.31Å; L401-V403 PolarHBondContact O-N 3.32Å; V403-R405 VanDerWaalsContact C-N 3.27Å; V403-R405 PolarHBondContact O-N 2.84Å; V403-W406 PolarHBondContact O-N 3.01Å; V403-L407 HydrophobicContact CG1-CB 4.38Å; V403-L407 WeakPolarHBondContact O-CB 3.5Å; V403-L407 PolarHBondContact O-N 3.28Å
404Q90.1Very high89Confident68 Ų6867.6 Ų67.632%0.31837%0.374SS..Hα-helixtrans-68.5-27.4-173.8-69.6-65.1-35.600112.7D402 W406 K408D402-Q404 PolarHBondContact O-N 3.22Å; D402-Q404 PolarHBondContact OD1-N 3.49Å; Q404-W406 PolarHBondContact O-N 3.44Å; Q404-K408 PolarHBondContact O-N 3.47Å; Q404-K408 VanDerWaalsContact OE1-CE 3.29Å
405R90.3Very high88.9Confident168 Ų16866.9 Ų66.963%0.63436%0.364SS*.Hα-helixtrans-54.8-36.4173.7-178.1175.9177.1-177.7-2.5113.2D402 V403 P409D402-R405 HydrophobicContact CB-CB 4.49Å; D402-R405 WeakPolarHBondContact O-CB 3.34Å; D402-R405 PolarHBondContact O-N 3.06Å; D402-R405 PolarHBondContact OD1-N 3.18Å; V403-R405 VanDerWaalsContact C-N 3.27Å; V403-R405 PolarHBondContact O-N 2.84Å; R405-P409 WeakPolarHBondContact O-CD 3.29Å; R405-P409 WeakPolarHBondContact O-CG 3.13Å
406W87.6Confident89Confident92 Ų9266.3 Ų66.335%0.34836%0.362SS..Hα-helixtrans-101.7-36.3-176.3-60.399.4000112.6V329 Q330 T333 V403 Q404 P409 A410V329-W406 HydrophobicContact CG1-CB 4.4Å; V329-W406 HydrophobicContact CG1-CG 4.45Å; Q330-W406 HydrophobicContact CG-CD2 3.56Å; Q330-W406 HydrophobicContact CG-CE3 3.68Å; Q330-W406 HydrophobicContact CG-CG 4.07Å; Q330-W406 HydrophobicContact CG-CH2 4.08Å; Q330-W406 HydrophobicContact CG-CZ2 3.99Å; Q330-W406 HydrophobicContact CG-CZ3 3.93Å; T333-W406 HydrophobicContact CG2-CB 4.16Å; V403-W406 PolarHBondContact O-N 3.01Å; Q404-W406 PolarHBondContact O-N 3.44Å; W406-P409 WeakPolarHBondContact O-CD 3.4Å; W406-A410 WeakPolarHBondContact O-CB 3.49Å; W406-A410 PolarHBondContact O-N 3.38Å
407L90.6Very high89Confident37 Ų3769.3 Ų69.319%0.19438%0.376CS..Hα-helixtrans-66.5-44.8-177.2-175.163.1000112.7T333 A336 L393 V403 A410 M411T333-L407 HydrophobicContact CG2-CB 3.68Å; T333-L407 HydrophobicContact CG2-CD1 3.93Å; T333-L407 HydrophobicContact CG2-CG 4.38Å; A336-L407 HydrophobicContact CB-CD1 4.43Å; L393-L407 HydrophobicContact CD1-CD1 4.4Å; V403-L407 HydrophobicContact CG1-CB 4.38Å; V403-L407 WeakPolarHBondContact O-CB 3.5Å; V403-L407 PolarHBondContact O-N 3.28Å; L407-A410 PolarHBondContact O-N 2.89Å; L407-M411 HydrophobicContact CD1-CG 3.71Å; L407-M411 HydrophobicContact CD1-SD 4.33Å; L407-M411 HydrophobicContact CG-CG 4.12Å; L407-M411 WeakPolarHBondContact O-CB 3.21Å; L407-M411 VanDerWaalsContact O-CG 3.27Å; L407-M411 WeakPolarHBondContact O-CG 3.43Å; L407-M411 PolarHBondContact O-N 3.33Å
408K90.8Very high88.9Confident135 Ų13566 Ų6659%0.58736%0.363SS*.Hα-helixtrans-61.4-53.5-176.5-74.9178.8178.6177.60112.4Q404 A410 M411 T412Q404-K408 PolarHBondContact O-N 3.47Å; Q404-K408 VanDerWaalsContact OE1-CE 3.29Å; K408-A410 VanDerWaalsContact C-N 3.33Å; K408-A410 PolarHBondContact O-N 2.91Å; K408-M411 PolarHBondContact O-N 3.41Å; K408-T412 WeakPolarHBondContact O-CB 3.48Å; K408-T412 PolarHBondContact O-N 3.42Å; K408-T412 PolarHBondContact O-OG1 2.91Å
409P93Very high89Confident78 Ų7866.2 Ų66.251%0.50634%0.344SS..Hα-helixtrans-59.2-42.7178.2-22.933.7000112.8R405 W406 T412 Q413R405-P409 WeakPolarHBondContact O-CD 3.29Å; R405-P409 WeakPolarHBondContact O-CG 3.13Å; W406-P409 WeakPolarHBondContact O-CD 3.4Å; P409-T412 PolarHBondContact O-N 3.34Å; P409-Q413 WeakPolarHBondContact O-CB 3.47Å; P409-Q413 PolarHBondContact O-N 3.08Å
410A89.9Confident89.1Confident19 Ų1970.4 Ų70.416%0.15736%0.358CS..Hα-helixtrans-64.1-42.9-178.900000112.5A337 W406 L407 K408 A414A337-A410 HydrophobicContact CB-CB 4Å; A337-A410 WeakPolarHBondContact CB-O 3.37Å; W406-A410 WeakPolarHBondContact O-CB 3.49Å; W406-A410 PolarHBondContact O-N 3.38Å; L407-A410 PolarHBondContact O-N 2.89Å; K408-A410 VanDerWaalsContact C-N 3.33Å; K408-A410 PolarHBondContact O-N 2.91Å; A410-A414 WeakPolarHBondContact O-CB 3.33Å; A410-A414 PolarHBondContact O-N 3.41Å
411M92.5Very high89.1Confident40 Ų4070.4 Ų70.420%0.19734%0.341CS..Hα-helixtrans-70.7-40.5177.7-68.8-59.4-59.800112.3A336 A337 Y340 L407 K408 A414 Q415A336-M411 HydrophobicContact CB-SD 4.48Å; A337-M411 HydrophobicContact CB-SD 4.32Å; Y340-M411 HydrophobicContact CD1-CE 4.45Å; Y340-M411 HydrophobicContact CD2-CE 3.83Å; Y340-M411 HydrophobicContact CE2-CE 4.48Å; Y340-M411 HydrophobicContact CG-CE 3.8Å; L407-M411 HydrophobicContact CD1-CG 3.71Å; L407-M411 HydrophobicContact CD1-SD 4.33Å; L407-M411 HydrophobicContact CG-CG 4.12Å; L407-M411 WeakPolarHBondContact O-CB 3.21Å; L407-M411 VanDerWaalsContact O-CG 3.27Å; L407-M411 WeakPolarHBondContact O-CG 3.43Å; L407-M411 PolarHBondContact O-N 3.33Å; K408-M411 PolarHBondContact O-N 3.41Å; M411-A414 PolarHBondContact O-N 3Å; M411-Q415 VanDerWaalsContact O-CG 3.27Å; M411-Q415 WeakPolarHBondContact O-CG 3.31Å; M411-Q415 PolarHBondContact O-N 2.91Å
412T92.3Very high88.9Confident69 Ų6976.2 Ų76.242%0.42336%0.362SS..Hα-helixtrans-62.9-46176.3-60.10000111.1K408 P409 A414 Q415 D416K408-T412 WeakPolarHBondContact O-CB 3.48Å; K408-T412 PolarHBondContact O-N 3.42Å; K408-T412 PolarHBondContact O-OG1 2.91Å; P409-T412 PolarHBondContact O-N 3.34Å; T412-A414 VanDerWaalsContact C-N 3.3Å; T412-A414 PolarHBondContact O-N 3.32Å; T412-Q415 WeakPolarHBondContact O-CB 3.44Å; T412-Q415 PolarHBondContact O-N 3.29Å; T412-D416 PolarHBondContact O-N 3.1Å
413Q91.9Very high88.9Confident115 Ų11578.2 Ų78.254%0.53736%0.362SS..Hα-helixtrans-58.7-43.5174.4-179.2-179.4-8.100111.5P409 Q415 D416 E417P409-Q413 WeakPolarHBondContact O-CB 3.47Å; P409-Q413 PolarHBondContact O-N 3.08Å; Q413-Q415 VanDerWaalsContact C-N 3.34Å; Q413-Q415 PolarHBondContact O-N 3.1Å; Q413-D416 PolarHBondContact O-N 3.39Å; Q413-E417 VanDerWaalsContact CG-OE1 3.26Å; Q413-E417 WeakPolarHBondContact CG-OE1 3.32Å; Q413-E417 PolarHBondContact NE2-OE1 3.45Å; Q413-E417 WeakPolarHBondContact O-CG 3.44Å; Q413-E417 PolarHBondContact O-N 2.96Å
414A89.7Confident88.5Confident1 Ų181.6 Ų81.61%0.00838%0.38CS..Hα-helixtrans-64.4-37.1177.900000113.5A337 Y340 K341 A410 M411 T412 V418A337-A414 HydrophobicContact CB-CB 3.98Å; A337-A414 WeakPolarHBondContact O-CB 3.4Å; Y340-A414 HydrophobicContact CD1-CB 4.2Å; K341-A414 HydrophobicContact CD-CB 4.41Å; K341-A414 VanDerWaalsContact CE-CA 3.4Å; K341-A414 VanDerWaalsContact CE-CB 3.49Å; K341-A414 HydrophobicContact CG-CB 4.06Å; A410-A414 WeakPolarHBondContact O-CB 3.33Å; A410-A414 PolarHBondContact O-N 3.41Å; M411-A414 PolarHBondContact O-N 3Å; T412-A414 VanDerWaalsContact C-N 3.3Å; T412-A414 PolarHBondContact O-N 3.32Å; A414-V418 VanDerWaalsContact O-CG2 3.25Å; A414-V418 WeakPolarHBondContact O-CG2 3.42Å; A414-V418 PolarHBondContact O-N 3.17Å
415Q91.2Very high87.7Confident80 Ų8078.6 Ų78.637%0.37437%0.366SS..Hα-helixtrans-64.2-46.6174.4-74.8171.8-33.400111.8Y340 M411 T412 Q413 E417 V418 E419Y340-Q415 HydrophobicContact CE1-CB 4.49Å; Y340-Q415 HydrophobicContact CE1-CG 3.68Å; M411-Q415 VanDerWaalsContact O-CG 3.27Å; M411-Q415 WeakPolarHBondContact O-CG 3.31Å; M411-Q415 PolarHBondContact O-N 2.91Å; T412-Q415 WeakPolarHBondContact O-CB 3.44Å; T412-Q415 PolarHBondContact O-N 3.29Å; Q413-Q415 VanDerWaalsContact C-N 3.34Å; Q413-Q415 PolarHBondContact O-N 3.1Å; Q415-E417 VanDerWaalsContact C-N 3.33Å; Q415-E417 PolarHBondContact O-N 3.03Å; Q415-V418 PolarHBondContact O-N 3.41Å; Q415-E419 WeakPolarHBondContact O-CG 3.47Å; Q415-E419 PolarHBondContact O-N 3.47Å
416D92.1Very high87Confident95 Ų9575.6 Ų75.651%0.50836%0.359SS..Hα-helixtrans-61.8-42179.5-70.1-23.7000111.5T412 Q413 E419 Q420T412-D416 PolarHBondContact O-N 3.1Å; Q413-D416 PolarHBondContact O-N 3.39Å; D416-E419 PolarHBondContact O-N 3.4Å; D416-Q420 WeakPolarHBondContact O-CB 3.41Å; D416-Q420 PolarHBondContact O-N 3.02Å
417E87.7Confident86.5Confident72 Ų7273.4 Ų73.434%0.33636%0.361SS..Hα-helixtrans-66.5-43.2177.1-72.1178.5-145.500112.3K341 Q413 Q415 E419 Q420 E421K341-E417 WeakPolarHBondContact CE-OE2 3.47Å; K341-E417 VanDerWaalsContact NZ-CD 3.27Å; K341-E417 IonicContact NZ-OE1 2.64Å; K341-E417 IonicContact NZ-OE2 3.36Å; K341-E417 PolarHBondContact NZ-OE2 3.35Å; Q413-E417 VanDerWaalsContact CG-OE1 3.26Å; Q413-E417 WeakPolarHBondContact CG-OE1 3.32Å; Q413-E417 PolarHBondContact NE2-OE1 3.45Å; Q413-E417 WeakPolarHBondContact O-CG 3.44Å; Q413-E417 PolarHBondContact O-N 2.96Å; Q415-E417 VanDerWaalsContact C-N 3.33Å; Q415-E417 PolarHBondContact O-N 3.03Å; E417-E419 VanDerWaalsContact C-N 3.32Å; E417-E419 PolarHBondContact O-N 2.84Å; E417-Q420 WeakPolarHBondContact O-CB 3.43Å; E417-Q420 PolarHBondContact O-N 3.42Å; E417-E421 PolarHBondContact O-N 3Å
418V88Confident85.6Confident32 Ų3275.3 Ų75.319%0.19437%0.366CS..Hα-helixtrans-62.2-40.8174.6169.60000111.3Y340 K341 N344 A414 Q415 Q420 E421 R422Y340-V418 HydrophobicContact CD1-CG2 4.47Å; Y340-V418 HydrophobicContact CE1-CG2 4.31Å; K341-V418 HydrophobicContact CB-CG2 4.14Å; K341-V418 HydrophobicContact CG-CG2 3.81Å; N344-V418 HydrophobicContact CB-CG1 3.8Å; N344-V418 HydrophobicContact CB-CG2 4.43Å; A414-V418 VanDerWaalsContact O-CG2 3.25Å; A414-V418 WeakPolarHBondContact O-CG2 3.42Å; A414-V418 PolarHBondContact O-N 3.17Å; Q415-V418 PolarHBondContact O-N 3.41Å; V418-Q420 VanDerWaalsContact C-N 3.35Å; V418-E421 PolarHBondContact O-N 3.11Å; V418-R422 WeakPolarHBondContact O-CB 3.3Å; V418-R422 PolarHBondContact O-N 2.9Å
419E86.9Confident84.4Confident77 Ų7772.8 Ų72.836%0.3636%0.358SS..Hα-helixtrans-66.5-37.4175.8-79.1-165-171.200112.7Q415 D416 E417 R422 R423Q415-E419 WeakPolarHBondContact O-CG 3.47Å; Q415-E419 PolarHBondContact O-N 3.47Å; D416-E419 PolarHBondContact O-N 3.4Å; E417-E419 VanDerWaalsContact C-N 3.32Å; E417-E419 PolarHBondContact O-N 2.84Å; E419-R422 PolarHBondContact O-N 3.39Å; E419-R423 VanDerWaalsContact O-CG 3.26Å; E419-R423 WeakPolarHBondContact O-CG 3.22Å; E419-R423 PolarHBondContact O-N 2.93Å; E419-R423 IonicContact OE2-CZ 3.42Å; E419-R423 IonicContact OE2-NH2 3.49Å; E419-R423 PolarHBondContact OE2-NH2 3.19Å
420Q86.7Confident83.1Confident117 Ų11773.7 Ų73.755%0.54737%0.366SS..Hα-helixtrans-63.3-48.4175.4180176-30.900110.6D416 E417 V418 R422 R423 L424D416-Q420 WeakPolarHBondContact O-CB 3.41Å; D416-Q420 PolarHBondContact O-N 3.02Å; E417-Q420 WeakPolarHBondContact O-CB 3.43Å; E417-Q420 PolarHBondContact O-N 3.42Å; V418-Q420 VanDerWaalsContact C-N 3.35Å; Q420-R422 VanDerWaalsContact C-N 3.32Å; Q420-R422 PolarHBondContact O-N 2.94Å; Q420-R423 PolarHBondContact O-N 2.99Å; Q420-R423 VanDerWaalsContact O-N 3.17Å; Q420-L424 HydrophobicContact CG-CD1 4.25Å; Q420-L424 WeakPolarHBondContact O-CG 3.26Å; Q420-L424 PolarHBondContact O-N 3.37Å
421E81.6Confident81.7Confident64 Ų6479.6 Ų79.630%0.29939%0.391SS..Hα-helixtrans-60-41.2175.9-77.7-55.7145.500112.3E417 V418 R423 L424 S425 R428E417-E421 PolarHBondContact O-N 3Å; V418-E421 PolarHBondContact O-N 3.11Å; E421-R423 VanDerWaalsContact C-N 3.35Å; E421-R423 PolarHBondContact O-N 2.85Å; E421-L424 PolarHBondContact O-N 3.22Å; E421-S425 WeakPolarHBondContact O-CB 3.24Å; E421-S425 PolarHBondContact O-N 2.94Å; E421-S425 PolarHBondContact O-OG 3.43Å; E421-R428 IonicContact OE2-NH2 3.78Å
422R81.4Confident79.8Confident135 Ų13588 Ų8851%0.50942%0.42SS..Hα-helixtrans-57.6-47.5174-171.9-171.672.1-175.4-3.8111.5V418 E419 Q420 S425 E426V418-R422 WeakPolarHBondContact O-CB 3.3Å; V418-R422 PolarHBondContact O-N 2.9Å; E419-R422 PolarHBondContact O-N 3.39Å; Q420-R422 VanDerWaalsContact C-N 3.32Å; Q420-R422 PolarHBondContact O-N 2.94Å; R422-S425 PolarHBondContact O-N 3.43Å; R422-E426 IonicContact NE-OE1 3.42Å; R422-E426 WeakPolarHBondContact O-CB 3.39Å; R422-E426 WeakPolarHBondContact O-CG 3.29Å; R422-E426 PolarHBondContact O-N 3.39Å
423R84.3Confident77.6Confident145 Ų14589.6 Ų89.655%0.54743%0.426SS..Hα-helixtrans-65.1-39.2179.9-68.8171-154.7-179.17111.7E419 Q420 E421 A427E419-R423 VanDerWaalsContact O-CG 3.26Å; E419-R423 WeakPolarHBondContact O-CG 3.22Å; E419-R423 PolarHBondContact O-N 2.93Å; E419-R423 IonicContact OE2-CZ 3.42Å; E419-R423 IonicContact OE2-NH2 3.49Å; E419-R423 PolarHBondContact OE2-NH2 3.19Å; Q420-R423 PolarHBondContact O-N 2.99Å; Q420-R423 VanDerWaalsContact O-N 3.17Å; E421-R423 VanDerWaalsContact C-N 3.35Å; E421-R423 PolarHBondContact O-N 2.85Å; R423-A427 WeakPolarHBondContact O-CB 3.38Å; R423-A427 PolarHBondContact O-N 3.49Å
424L80.1Confident75.7Confident75 Ų7590.3 Ų90.339%0.39343%0.433SS..Hα-helixtrans-64.3-43.2175.9-69.7173.6000111Q420 E421 A427 R428Q420-L424 HydrophobicContact CG-CD1 4.25Å; Q420-L424 WeakPolarHBondContact O-CG 3.26Å; Q420-L424 PolarHBondContact O-N 3.37Å; E421-L424 PolarHBondContact O-N 3.22Å; L424-A427 WeakPolarHBondContact O-CB 3.49Å; L424-A427 PolarHBondContact O-N 3.27Å; L424-R428 WeakPolarHBondContact O-CG 3.38Å; L424-R428 PolarHBondContact O-N 3.15Å
425S72.6Confident73.8Confident4 Ų492.3 Ų92.33%0.02845%0.447CS..Hα-helixtrans-66.1-42.7178-58.80000112.6W348 E421 R422 A427 R428 L429W348-S425 VanDerWaalsContact CH2-OG 3.27Å; W348-S425 WeakPolarHBondContact CH2-OG 3.32Å; W348-S425 VanDerWaalsContact CZ2-CB 3.48Å; E421-S425 WeakPolarHBondContact O-CB 3.24Å; E421-S425 PolarHBondContact O-N 2.94Å; E421-S425 PolarHBondContact O-OG 3.43Å; R422-S425 PolarHBondContact O-N 3.43Å; S425-A427 VanDerWaalsContact C-N 3.3Å; S425-A427 PolarHBondContact O-N 2.99Å; S425-R428 PolarHBondContact O-N 3.38Å; S425-L429 WeakPolarHBondContact O-CG 3.34Å; S425-L429 PolarHBondContact O-N 3.24Å
426E76.9Confident71.9Confident106 Ų10692.5 Ų92.550%0.49546%0.455SS..Hα-helixtrans-60.5-39.2171.8-74.7171.7-175.900111.8R422 L429 S430R422-E426 IonicContact NE-OE1 3.42Å; R422-E426 WeakPolarHBondContact O-CB 3.39Å; R422-E426 WeakPolarHBondContact O-CG 3.29Å; R422-E426 PolarHBondContact O-N 3.39Å; E426-L429 PolarHBondContact O-N 3.39Å; E426-S430 WeakPolarHBondContact O-CB 3.47Å; E426-S430 PolarHBondContact O-N 2.78Å
427A76.7Confident70Confident46 Ų4692.8 Ų92.838%0.3846%0.46SS..Hα-helixtrans-65.9-43.6175.600000112R423 L424 S425 L429 S430 Q431R423-A427 WeakPolarHBondContact O-CB 3.38Å; R423-A427 PolarHBondContact O-N 3.49Å; L424-A427 WeakPolarHBondContact O-CB 3.49Å; L424-A427 PolarHBondContact O-N 3.27Å; S425-A427 VanDerWaalsContact C-N 3.3Å; S425-A427 PolarHBondContact O-N 2.99Å; A427-L429 VanDerWaalsContact C-N 3.33Å; A427-L429 PolarHBondContact O-N 3.3Å; A427-S430 PolarHBondContact O-N 3.03Å; A427-S430 PolarHBondContact O-OG 3.36Å; A427-Q431 PolarHBondContact O-N 3.14Å
428R72.3Confident68.3Low77 Ų7790.1 Ų90.129%0.29145%0.451SS..Hα-helixtrans-58.4-42.9174.8-67.7177.4-142.5-161.112.7111.3E421 L424 S425 Q431 D445E421-R428 IonicContact OE2-NH2 3.78Å; L424-R428 WeakPolarHBondContact O-CG 3.38Å; L424-R428 PolarHBondContact O-N 3.15Å; S425-R428 PolarHBondContact O-N 3.38Å; R428-Q431 PolarHBondContact O-N 3.07Å; R428-D445 IonicContact CZ-OD2 3.29Å; R428-D445 IonicContact NH1-OD2 3.13Å; R428-D445 IonicContact NH2-OD2 3.87Å; R428-D445 PolarHBondContact NH2-OD2 3.41Å
429L65.1Low66.6Low82 Ų8290.3 Ų90.343%0.42945%0.449SS..Hα-helixtrans-66-39.1177-75.3163.4000113.1S425 E426 A427 Q431 R432S425-L429 WeakPolarHBondContact O-CG 3.34Å; S425-L429 PolarHBondContact O-N 3.24Å; E426-L429 PolarHBondContact O-N 3.39Å; A427-L429 VanDerWaalsContact C-N 3.33Å; A427-L429 PolarHBondContact O-N 3.3Å; L429-Q431 PolarHBondContact O-N 3.1Å; L429-R432 PolarHBondContact O-N 3.11Å
430S65.7Low65.3Low97 Ų9790.6 Ų90.668%0.67845%0.453SS*.Hα-helixtrans-67-24.4179.4760000113.7E426 A427 R432E426-S430 WeakPolarHBondContact O-CB 3.47Å; E426-S430 PolarHBondContact O-N 2.78Å; A427-S430 PolarHBondContact O-N 3.03Å; A427-S430 PolarHBondContact O-OG 3.36Å; S430-R432 VanDerWaalsContact C-N 3.28Å; S430-R432 PolarHBondContact O-N 3.24Å
431Q59.5Low64.1Low143 Ų14386.6 Ų86.667%0.66844%0.44SS*.THydrogen-bonded Turntrans-82.6-2.1177.6-70.7-173.3-15.600113.8A427 R428 L429 D433A427-Q431 PolarHBondContact O-N 3.14Å; R428-Q431 PolarHBondContact O-N 3.07Å; L429-Q431 PolarHBondContact O-N 3.1Å; Q431-D433 VanDerWaalsContact C-N 3.26Å; Q431-D433 PolarHBondContact O-N 3.04Å
432R52.9Low63.1Low216 Ų21683.9 Ų83.982%0.81543%0.428SS*.THydrogen-bonded Turntrans62.226.1174.6-145.2-175.9-175.8177.21.5114.6L429 S430 L434L429-R432 PolarHBondContact O-N 3.11Å; S430-R432 VanDerWaalsContact C-N 3.28Å; S430-R432 PolarHBondContact O-N 3.24Å; R432-L434 VanDerWaalsContact C-N 3.3Å; R432-L434 PolarHBondContact O-N 3.43Å; R432-L434 VanDerWaalsContact O-N 3.09Å
433D47Very low62.2Low102 Ų10278.4 Ų78.455%0.54541%0.409SS..  trans-82.874.7168.6-76.9-30.1000110.2Q431 S435Q431-D433 VanDerWaalsContact C-N 3.26Å; Q431-D433 PolarHBondContact O-N 3.04Å; D433-S435 PolarHBondContact O-N 2.94Å
434L50.7Low61.1Low131 Ų13173.7 Ų73.769%0.68640%0.398SS*.  trans-77.548167.7-65.8169.1000110.6R432R432-L434 VanDerWaalsContact C-N 3.3Å; R432-L434 PolarHBondContact O-N 3.43Å; R432-L434 VanDerWaalsContact O-N 3.09Å
435S50.4Low60.4Low42 Ų4271.9 Ų71.929%0.29439%0.388SS..  trans-88.1146.5173.568.20000109.6D433 T437 A438D433-S435 PolarHBondContact O-N 2.94Å; S435-T437 PolarHBondContact O-N 3.44Å; S435-T437 PolarHBondContact OG-OG1 3.29Å; S435-A438 PolarHBondContact O-N 3.05Å; S435-A438 VanDerWaalsContact O-N 3.16Å
436P51.9Low60.1Low84 Ų8472 Ų7255%0.54539%0.388SS..Hα-helixtrans-51.6-27.4173-23.331.6000112.9E439 D440P436-E439 PolarHBondContact O-N 2.96Å; P436-D440 PolarHBondContact O-N 2.9Å
437T50.9Low59.6Low101 Ų10172.3 Ų72.362%0.6239%0.39SS*.Hα-helixtrans-69.2-32-177.5-14.70000114.5S435 E439 A441S435-T437 PolarHBondContact O-N 3.44Å; S435-T437 PolarHBondContact OG-OG1 3.29Å; T437-E439 VanDerWaalsContact C-N 3.27Å; T437-A441 WeakPolarHBondContact O-CB 3.27Å; T437-A441 PolarHBondContact O-N 3.3Å
438A52Low59.2Low17 Ų1775.5 Ų75.514%0.1440%0.397CS..Hα-helixtrans-73.2-25.7176.200000111.7S435 E442S435-A438 PolarHBondContact O-N 3.05Å; S435-A438 VanDerWaalsContact O-N 3.16Å; A438-E442 WeakPolarHBondContact O-CG 3.26Å; A438-E442 PolarHBondContact O-N 2.71Å
439E53.8Low58.8Low35 Ų3573.6 Ų73.616%0.16440%0.395CS..Hα-helixtrans-89.6-33.4-177.5-57.5-172.6145.600111.4R352 R356 P436 T437 A441 E442 L443R352-E439 IonicContact CZ-OE1 3.03Å; R352-E439 IonicContact NE-OE1 3.36Å; R352-E439 PolarHBondContact NE-OE1 3.34Å; R352-E439 IonicContact NH2-OE1 2.71Å; R352-E439 PolarHBondContact NH2-OE1 2.88Å; R356-E439 IonicContact CZ-OE2 3.27Å; R356-E439 IonicContact NE-OE2 3.03Å; R356-E439 PolarHBondContact NE-OE2 3.38Å; R356-E439 IonicContact NH2-OE2 2.73Å; R356-E439 PolarHBondContact NH2-OE2 3.44Å; P436-E439 PolarHBondContact O-N 2.96Å; T437-E439 VanDerWaalsContact C-N 3.27Å; E439-A441 VanDerWaalsContact C-N 3.27Å; E439-E442 PolarHBondContact O-N 2.96Å; E439-L443 WeakPolarHBondContact O-CB 3.46Å; E439-L443 WeakPolarHBondContact O-CG 3.46Å; E439-L443 PolarHBondContact O-N 3.16Å
440D59.4Low58.7Low84 Ų8472.2 Ų72.245%0.44939%0.386SS..Hα-helixtrans-66.3-30.7167-72.7-20.7000111.5P436 S444P436-D440 PolarHBondContact O-N 2.9Å; D440-S444 WeakPolarHBondContact O-CB 3.41Å; D440-S444 PolarHBondContact O-N 3.4Å
441A60.2Low58.4Low33 Ų3373.9 Ų73.927%0.27338%0.384SS..Hα-helixtrans-67.3-41173.800000112.2T437 E439 S444 D445T437-A441 WeakPolarHBondContact O-CB 3.27Å; T437-A441 PolarHBondContact O-N 3.3Å; E439-A441 VanDerWaalsContact C-N 3.27Å; A441-S444 WeakPolarHBondContact O-CB 3.41Å; A441-S444 PolarHBondContact O-N 2.88Å; A441-D445 WeakPolarHBondContact O-CB 3.49Å; A441-D445 PolarHBondContact O-N 3.38Å
442E61.4Low58.2Low6 Ų670.7 Ų70.73%0.02837%0.374CS..Hα-helixtrans-74-32.6179.2-67.9168.3-178.800112.7H345 W348 R352 A438 E439 D445 F446H345-E442 PolarHBondContact NE2-O 2.82Å; W348-E442 HydrophobicContact CH2-CB 3.99Å; W348-E442 HydrophobicContact CH2-CG 3.52Å; W348-E442 WeakPolarHBondContact CH2-OE1 3.42Å; W348-E442 WeakPolarHBondContact CH2-OE2 3.31Å; W348-E442 WeakPolarHBondContact CZ2-OE2 3.47Å; W348-E442 HydrophobicContact CZ3-CB 3.87Å; W348-E442 HydrophobicContact CZ3-CG 3.91Å; R352-E442 IonicContact CZ-OE1 2.72Å; R352-E442 IonicContact CZ-OE2 3.7Å; R352-E442 IonicContact NE-OE2 3.77Å; R352-E442 IonicContact NH1-OE1 2.88Å; R352-E442 PolarHBondContact NH1-OE1 3.34Å; R352-E442 IonicContact NH1-OE2 2.8Å; R352-E442 PolarHBondContact NH1-OE2 2.87Å; A438-E442 WeakPolarHBondContact O-CG 3.26Å; A438-E442 PolarHBondContact O-N 2.71Å; E439-E442 PolarHBondContact O-N 2.96Å; E442-D445 PolarHBondContact O-N 3.33Å; E442-F446 PolarHBondContact O-N 2.94Å
443L62.9Low58.1Low21 Ų2161.1 Ų61.111%0.1134%0.342CS..Hα-helixtrans-68.7-39.5169.5-73.4167.7000111.1V349 R371 E439 F446 E447V349-L443 HydrophobicContact CG1-CD2 3.79Å; R371-L443 VanDerWaalsContact NH1-CD1 3.28Å; E439-L443 WeakPolarHBondContact O-CB 3.46Å; E439-L443 WeakPolarHBondContact O-CG 3.46Å; E439-L443 PolarHBondContact O-N 3.16Å; L443-F446 CarbonylContact O-C 3.51Å; L443-F446 WeakPolarHBondContact O-CB 3.17Å; L443-F446 PolarHBondContact O-N 3.49Å; L443-E447 WeakPolarHBondContact O-CB 3.38Å; L443-E447 VanDerWaalsContact O-CG 3.26Å; L443-E447 WeakPolarHBondContact O-CG 3.4Å; L443-E447 PolarHBondContact O-N 3.41Å
444S61.4Low58.1Low46 Ų4663.6 Ų63.632%0.32235%0.35SS..Hα-helixtrans-61.9-42.5170.4-172.70000111.3D440 A441 F446 E447 E448D440-S444 WeakPolarHBondContact O-CB 3.41Å; D440-S444 PolarHBondContact O-N 3.4Å; A441-S444 WeakPolarHBondContact O-CB 3.41Å; A441-S444 PolarHBondContact O-N 2.88Å; S444-F446 PolarHBondContact O-N 3.02Å; S444-E447 PolarHBondContact O-N 3.05Å; S444-E448 WeakPolarHBondContact O-CB 3.38Å; S444-E448 VanDerWaalsContact O-CG 3.31Å; S444-E448 WeakPolarHBondContact O-CG 3.47Å; S444-E448 PolarHBondContact O-N 3.22Å
445D63.7Low57.8Low36 Ų3664.4 Ų64.419%0.19336%0.355CS..Hα-helixtrans-63.4-31.6175.8-63.1-24.3000111R428 A441 E442 C449R428-D445 IonicContact CZ-OD2 3.29Å; R428-D445 IonicContact NH1-OD2 3.13Å; R428-D445 IonicContact NH2-OD2 3.87Å; R428-D445 PolarHBondContact NH2-OD2 3.41Å; A441-D445 WeakPolarHBondContact O-CB 3.49Å; A441-D445 PolarHBondContact O-N 3.38Å; E442-D445 PolarHBondContact O-N 3.33Å; D445-C449 PolarHBondContact O-N 3.05Å; D445-C449 PolarHBondContact O-SG 2.95Å
446F66.8Low57.6Low7 Ų768.4 Ų68.43%0.03137%0.367CS..Hα-helixtrans-75.9-43.9173.6180-98.1000113I342 H345 V349 V375 E442 L443 S444 E448 C449 E450I342-F446 HydrophobicContact CG2-CE2 4.36Å; H345-F446 HydrophobicContact CB-CD2 4.44Å; H345-F446 VanDerWaalsContact CD2-CA 3.5Å; H345-F446 WeakPolarHBondContact CD2-CA 3.39Å; H345-F446 VanDerWaalsContact CD2-CB 3.46Å; H345-F446 WeakPolarHBondContact CD2-CB 3.45Å; H345-F446 AromaticContact CD2-CD2 3.61Å; H345-F446 PolarHBondContact NE2-N 3.03Å; V349-F446 HydrophobicContact CG2-CB 4.41Å; V375-F446 HydrophobicContact CB-CZ 4.46Å; V375-F446 HydrophobicContact CG1-CE1 4.4Å; V375-F446 HydrophobicContact CG1-CE2 4.29Å; V375-F446 HydrophobicContact CG1-CZ 3.94Å; V375-F446 HydrophobicContact CG2-CD1 4.47Å; V375-F446 HydrophobicContact CG2-CE1 3.98Å; V375-F446 HydrophobicContact CG2-CZ 4.35Å; E442-F446 PolarHBondContact O-N 2.94Å; L443-F446 CarbonylContact O-C 3.51Å; L443-F446 WeakPolarHBondContact O-CB 3.17Å; L443-F446 PolarHBondContact O-N 3.49Å; S444-F446 PolarHBondContact O-N 3.02Å; F446-E448 VanDerWaalsContact C-N 3.29Å; F446-E448 PolarHBondContact O-N 3.24Å; F446-C449 WeakPolarHBondContact O-CB 3.35Å; F446-C449 PolarHBondContact O-N 3.41Å; F446-C449 VanDerWaalsContact O-N 3.14Å; F446-E450 PolarHBondContact O-N 3.21Å
447E67.6Low57.3Low113 Ų11372.3 Ų72.353%0.52838%0.378SS..Hα-helixtrans-61.1-39.2174.4-74168.8-169.800110.3L443 S444 C449 E450 E451L443-E447 WeakPolarHBondContact O-CB 3.38Å; L443-E447 VanDerWaalsContact O-CG 3.26Å; L443-E447 WeakPolarHBondContact O-CG 3.4Å; L443-E447 PolarHBondContact O-N 3.41Å; S444-E447 PolarHBondContact O-N 3.05Å; E447-C449 VanDerWaalsContact C-N 3.35Å; E447-C449 PolarHBondContact O-N 3.39Å; E447-E450 CarbonylContact O-C 3.59Å; E447-E450 PolarHBondContact O-N 2.88Å; E447-E450 VanDerWaalsContact O-N 3.08Å; E447-E451 WeakPolarHBondContact O-CB 3.25Å; E447-E451 PolarHBondContact O-N 2.96Å
448E66.8Low56.8Low112 Ų11273 Ų7352%0.52337%0.374SS..Hα-helixtrans-63.5-37.5173.3-77.7-178.6-166.600112.5S444 F446 E450 T452S444-E448 WeakPolarHBondContact O-CB 3.38Å; S444-E448 VanDerWaalsContact O-CG 3.31Å; S444-E448 WeakPolarHBondContact O-CG 3.47Å; S444-E448 PolarHBondContact O-N 3.22Å; F446-E448 VanDerWaalsContact C-N 3.29Å; F446-E448 PolarHBondContact O-N 3.24Å; E448-E450 VanDerWaalsContact C-N 3.26Å; E448-E450 PolarHBondContact O-N 3.47Å; E448-T452 WeakPolarHBondContact O-CB 3.39Å; E448-T452 WeakPolarHBondContact O-CG2 3.37Å; E448-T452 PolarHBondContact O-N 2.93Å; E448-T452 VanDerWaalsContact O-N 3.17Å; E448-T452 PolarHBondContact O-OG1 3.4Å
449C64.7Low56Low38 Ų3876.2 Ų76.226%0.25739%0.394SS..Hα-helixtrans-66.5-28.1173.5-71.60000112.7I342 D445 F446 E447 T452I342-C449 HydrophobicContact CG1-CB 4.34Å; D445-C449 PolarHBondContact O-N 3.05Å; D445-C449 PolarHBondContact O-SG 2.95Å; F446-C449 WeakPolarHBondContact O-CB 3.35Å; F446-C449 PolarHBondContact O-N 3.41Å; F446-C449 VanDerWaalsContact O-N 3.14Å; E447-C449 VanDerWaalsContact C-N 3.35Å; E447-C449 PolarHBondContact O-N 3.39Å; C449-T452 PolarHBondContact O-OG1 3.16Å
450E63.6Low55.2Low52 Ų5278.1 Ų78.124%0.24342%0.416CS..Hα-helixtrans-87.7-42179.1-170.3162.2-138.900112.4S378 R381 F446 E447 E448 G453S378-E450 VanDerWaalsContact CB-OE1 3.26Å; S378-E450 WeakPolarHBondContact CB-OE1 3.49Å; S378-E450 PolarHBondContact OG-OE1 3.46Å; R381-E450 IonicContact CZ-OE1 3.47Å; R381-E450 IonicContact NH2-OE1 3.31Å; R381-E450 PolarHBondContact NH2-OE1 3.4Å; F446-E450 PolarHBondContact O-N 3.21Å; E447-E450 CarbonylContact O-C 3.59Å; E447-E450 PolarHBondContact O-N 2.88Å; E447-E450 VanDerWaalsContact O-N 3.08Å; E448-E450 VanDerWaalsContact C-N 3.26Å; E448-E450 PolarHBondContact O-N 3.47Å; E450-G453 WeakPolarHBondContact O-CA 3.31Å; E450-G453 PolarHBondContact O-N 3.05Å
451E59Low54Low133 Ų13379.7 Ų79.762%0.62143%0.43SS*.Hα-helixtrans-71.1-35.1-177.4-165.7178-158.200112E447 G453 E454E447-E451 WeakPolarHBondContact O-CB 3.25Å; E447-E451 PolarHBondContact O-N 2.96Å; E451-G453 PolarHBondContact O-N 3.44Å; E451-E454 PolarHBondContact O-N 3.28Å; E451-E454 VanDerWaalsContact O-N 3.16Å
452T54.2Low52.7Low76 Ų7687.3 Ų87.347%0.46646%0.46SS..Hα-helixtrans-64.3-8.2165.952.30000113.2R338 E448 C449R338-T452 PolarHBondContact NH1-O 3.48Å; E448-T452 WeakPolarHBondContact O-CB 3.39Å; E448-T452 WeakPolarHBondContact O-CG2 3.37Å; E448-T452 PolarHBondContact O-N 2.93Å; E448-T452 VanDerWaalsContact O-N 3.17Å; E448-T452 PolarHBondContact O-OG1 3.4Å; C449-T452 PolarHBondContact O-OG1 3.16Å
453G51.4Low51.4Low14 Ų1490 Ų9014%0.14448%0.483CS..Hα-helixtrans-82.3-32.9172.300000114.9E450 E451 L455 F456E450-G453 WeakPolarHBondContact O-CA 3.31Å; E450-G453 PolarHBondContact O-N 3.05Å; E451-G453 PolarHBondContact O-N 3.44Å; G453-L455 VanDerWaalsContact C-N 3.35Å; G453-F456 CarbonylContact O-C 3.56Å; G453-F456 PolarHBondContact O-N 3.42Å
454E48.1Very low50.2Low154 Ų15496.8 Ų96.872%0.7252%0.519SS*.Hα-helixtrans-73-27.7-179.2-64.7-167164.200112.3E451 F456 E457E451-E454 PolarHBondContact O-N 3.28Å; E451-E454 VanDerWaalsContact O-N 3.16Å; E454-F456 PolarHBondContact O-N 3.32Å; E454-F456 VanDerWaalsContact O-N 3.1Å; E454-E457 PolarHBondContact O-N 3.43Å
455L44Very low48.9Very low148 Ų14898.9 Ų98.978%0.77554%0.539SS*.THydrogen-bonded Turntrans-65.5-8.2172.5-91.1148.6000114.7G453G453-L455 VanDerWaalsContact C-N 3.35Å
456F45Very low48Very low127 Ų127101.3 Ų101.356%0.55756%0.555SS**THydrogen-bonded Turntrans-130.450.9175.5-80.6-93000109.8G453 E454 E458G453-F456 CarbonylContact O-C 3.56Å; G453-F456 PolarHBondContact O-N 3.42Å; E454-F456 PolarHBondContact O-N 3.32Å; E454-F456 VanDerWaalsContact O-N 3.1Å; F456-E458 PolarHBondContact O-N 3Å
457E45.9Very low47.6Very low165 Ų165105.2 Ų105.277%0.77157%0.57SS**  trans-45.5136.2148.6-83.3-169.114700108E454 P459E454-E457 PolarHBondContact O-N 3.43Å; E457-P459 VanDerWaalsContact O-CD 3.3Å; E457-P459 WeakPolarHBondContact O-CD 3.41Å
458E40.6Very low47.2Very low115 Ų115105.2 Ų105.254%0.53758%0.58SS.*  trans-48116.1164.9-142.5169.4-165.400104.2R392 F456 A460R392-E458 IonicContact CZ-OE1 3.02Å; R392-E458 VanDerWaalsContact CZ-OE1 3.3Å; R392-E458 IonicContact NH1-OE1 3.89Å; R392-E458 PolarHBondContact NH1-OE1 3.34Å; R392-E458 IonicContact NH2-OE1 3.21Å; R392-E458 PolarHBondContact NH2-OE1 3.23Å; F456-E458 PolarHBondContact O-N 3Å; E458-A460 PolarHBondContact O-N 2.93Å
459P35.9Very low47.4Very low86 Ų86103.1 Ų103.156%0.55857%0.572SS**  trans-52.9116.1176.120.2-29.6000103.5R331 E457R331-P459 VanDerWaalsContact NH1-CD 3.35Å; E457-P459 VanDerWaalsContact O-CD 3.3Å; E457-P459 WeakPolarHBondContact O-CD 3.41Å
460A36.7Very low47.9Very low75 Ų75105 Ų10562%0.6258%0.584SS**  trans-45126.3173.300000104.4E458 Q462E458-A460 PolarHBondContact O-N 2.93Å; A460-Q462 PolarHBondContact O-N 2.92Å
461P33.9Very low48.6Very low117 Ų117103.3 Ų103.376%0.7658%0.577SS**SBendtrans-44.2123.8175.419.3-30.8000105.2A463P461-A463 VanDerWaalsContact C-N 3.33Å; P461-A463 WeakPolarHBondContact O-CA 3.44Å; P461-A463 PolarHBondContact O-N 3.5Å
462Q32.9Very low49.5Very low193 Ų193100.9 Ų100.990%0.90257%0.573SS**SBendtrans-31.5103.2-171.1-74.8-179.4-15.500107.1A460 L464A460-Q462 PolarHBondContact O-N 2.92Å; Q462-L464 PolarHBondContact O-N 3Å
463A34.8Very low50.8Low61 Ų6197.2 Ų97.250%0.50455%0.55SS.*  trans-47.9116.8-161.100000105.9P461 A465P461-A463 VanDerWaalsContact C-N 3.33Å; P461-A463 WeakPolarHBondContact O-CA 3.44Å; P461-A463 PolarHBondContact O-N 3.5Å; A463-A465 VanDerWaalsContact C-N 3.27Å; A463-A465 VanDerWaalsContact O-CA 3.25Å; A463-A465 WeakPolarHBondContact O-CA 3.22Å; A463-A465 PolarHBondContact O-N 3.11Å
464L36.7Very low52.1Low164 Ų16499.2 Ų99.286%0.85956%0.556SS**  trans-42.8108.4165.6-90.7157.6000103.2Q462 T466Q462-L464 PolarHBondContact O-N 3Å; L464-T466 VanDerWaalsContact C-N 3.3Å; L464-T466 WeakPolarHBondContact O-CA 3.46Å; L464-T466 PolarHBondContact O-N 2.96Å
465A34.5Very low53.8Low90 Ų9091.9 Ų91.974%0.74452%0.521SS*.  trans-40.998.4-155.300000109.5A463 R467A463-A465 VanDerWaalsContact C-N 3.27Å; A463-A465 VanDerWaalsContact O-CA 3.25Å; A463-A465 WeakPolarHBondContact O-CA 3.22Å; A463-A465 PolarHBondContact O-N 3.11Å; A465-R467 PolarHBondContact O-N 3.16Å
466T44.8Very low55.5Low88 Ų8887.2 Ų87.254%0.5450%0.499SS..  trans-60.1117.7-172.4190000103.9L464 E500L464-T466 VanDerWaalsContact C-N 3.3Å; L464-T466 WeakPolarHBondContact O-CA 3.46Å; L464-T466 PolarHBondContact O-N 2.96Å; T466-E500 WeakPolarHBondContact CG2-OE2 3.42Å
467R58.8Low56.8Low88 Ų8886.7 Ų86.733%0.33250%0.497SS..  trans-55.7137.9-173.3-70.1177.7174.9129.5-3.4106.3A465 L469 E500 E521 F526A465-R467 PolarHBondContact O-N 3.16Å; R467-L469 WeakPolarHBondContact O-CG 3.45Å; R467-L469 PolarHBondContact O-N 2.97Å; R467-E500 PolarHBondContact N-OE1 3.2Å; R467-E521 IonicContact CZ-OE1 2.55Å; R467-E521 IonicContact NH1-OE1 2.78Å; R467-E521 PolarHBondContact NH1-OE1 3.37Å; R467-E521 IonicContact NH2-OE1 3.41Å; R467-F526 VanDerWaalsContact CZ-CD2 3.45Å; R467-F526 VanDerWaalsContact CZ-CE2 3.47Å
468P59.3Low58.5Low114 Ų11487.9 Ų87.974%0.7449%0.494SS*.  trans-61.2102.8176.321.3-29.2000108.5P470P468-P470 CarbonylContact O-C 3.48Å
469L69.8Low60.5Low68 Ų6884.5 Ų84.536%0.35648%0.477SS..SBendtrans-83.5137.5178.7-66.8160000108.7R467 V497 I498 E500R467-L469 WeakPolarHBondContact O-CG 3.45Å; R467-L469 PolarHBondContact O-N 2.97Å; L469-V497 HydrophobicContact CD2-CB 4.1Å; L469-V497 HydrophobicContact CD2-CG1 3.74Å; L469-V497 WeakPolarHBondContact CD2-O 3.24Å; L469-I498 WeakPolarHBondContact CD1-O 3.28Å; L469-E500 HydrophobicContact CD1-CG 4.39Å
470P76.8Confident62.8Low78 Ų7887.2 Ų87.251%0.50648%0.482SS..SBendcis-78140.11.627.8-31.3000113.9P468 E496 V497P468-P470 CarbonylContact O-C 3.48Å; P470-E496 HydrophobicContact CB-CG 3.49Å; P470-E496 VanDerWaalsContact CB-CG 3.49Å; P470-E496 WeakPolarHBondContact CB-OE1 3.29Å; P470-E496 VanDerWaalsContact CG-OE1 3.24Å; P470-E496 WeakPolarHBondContact CG-OE1 3.48Å; P470-V497 VanDerWaalsContact CA-O 3.22Å; P470-V497 WeakPolarHBondContact CA-O 3.47Å
471C77Confident65Low16 Ų1685.1 Ų85.111%0.10846%0.464CS..EExtended strand (participates in β ladder)trans-122.3138.6176.470.80000112.4V497C471-V497 PolarHBondContact N-O 3.26Å; C471-V497 PolarHBondContact O-N 2.89Å
472P78.8Confident66.7Low81 Ų8182.4 Ų82.453%0.52646%0.458SS..EExtended strand (participates in β ladder)trans-76.4133.8178.730-32.9000111.1W494 L495 P527P472-W494 HydrophobicContact CB-CE3 4.26Å; P472-W494 HydrophobicContact CB-CZ3 4.29Å; P472-L495 CarbonylContact C-O 3.58Å; P472-L495 WeakPolarHBondContact CA-O 3.25Å; P472-P527 VanDerWaalsContact O-CD 3.31Å; P472-P527 WeakPolarHBondContact O-CD 3.37Å
473A79.9Confident68.5Low0 Ų079.7 Ų79.70%045%0.445CS..EExtended strand (participates in β ladder)trans-130.2142.1178.200000110.7W494 L495 V497 L524 F526A473-W494 WeakPolarHBondContact O-CA 3.45Å; A473-L495 PolarHBondContact N-O 3.49Å; A473-L495 PolarHBondContact O-N 2.83Å; A473-V497 HydrophobicContact CB-CG2 3.8Å; A473-L524 HydrophobicContact CB-CB 4.15Å; A473-L524 HydrophobicContact CB-CD1 4.07Å; A473-F526 HydrophobicContact CB-CD1 3.83Å; A473-F526 HydrophobicContact CB-CE1 3.6Å; A473-F526 HydrophobicContact CB-CZ 4.11Å
474H80.4Confident70.4Confident55 Ų5586.3 Ų86.326%0.25547%0.465SS..EExtended strand (participates in β ladder)trans-102.6126.7179.7177.9-82.9000110.4V476 W494 L524 N525H474-V476 PolarHBondContact O-N 3.45Å; H474-W494 HydrophobicContact CB-CD2 4.36Å; H474-W494 HydrophobicContact CB-CE3 4.25Å; H474-W494 HydrophobicContact CB-CH2 4.22Å; H474-W494 HydrophobicContact CB-CZ2 4.3Å; H474-W494 HydrophobicContact CB-CZ3 4.18Å; H474-W494 AromaticContact CD2-CE2 3.77Å; H474-W494 AromaticContact CD2-NE1 3.71Å; H474-L524 CarbonylContact O-C 3.5Å; H474-L524 WeakPolarHBondContact O-CA 3.3Å; H474-N525 PolarHBondContact N-O 3.09Å; H474-N525 PolarHBondContact O-N 3.48Å
475V83.8Confident72.4Confident0 Ų084.1 Ų84.10%045%0.454CS..EExtended strand (participates in β ladder)trans-74.4116.9-178.4-178.30000110.1F477 I489 T490 G492 E493 L495 Y523 L524V475-F477 WeakPolarHBondContact CG1-O 3.43Å; V475-I489 HydrophobicContact CG1-CB 4.18Å; V475-I489 HydrophobicContact CG1-CD1 3.73Å; V475-I489 HydrophobicContact CG1-CG1 4Å; V475-I489 HydrophobicContact CG2-CB 4.01Å; V475-I489 HydrophobicContact CG2-CD1 4.07Å; V475-I489 HydrophobicContact CG2-CG1 4.48Å; V475-T490 VanDerWaalsContact CB-O 3.25Å; V475-T490 WeakPolarHBondContact CB-O 3.43Å; V475-T490 WeakPolarHBondContact CG1-O 3.48Å; V475-G492 PolarHBondContact O-N 2.96Å; V475-E493 HydrophobicContact CB-CB 4.4Å; V475-E493 WeakPolarHBondContact CB-O 3.27Å; V475-E493 HydrophobicContact CG2-CB 4.11Å; V475-E493 WeakPolarHBondContact CG2-O 3.41Å; V475-E493 PolarHBondContact N-O 2.89Å; V475-L495 HydrophobicContact CG2-CD1 3.46Å; V475-L495 VanDerWaalsContact CG2-CD1 3.46Å; V475-L495 HydrophobicContact CG2-CD2 4.48Å; V475-L495 HydrophobicContact CG2-CG 3.69Å; V475-Y523 CarbonylContact C-O 3.53Å; V475-Y523 WeakPolarHBondContact CA-O 3.43Å; V475-L524 HydrophobicContact CB-CD2 4.49Å; V475-L524 HydrophobicContact CG2-CD2 3.81Å
476V78.6Confident74.9Confident50 Ų5081.6 Ų81.630%0.30343%0.427SS..SBendtrans-92.9-22.2-179.9-135.50000112.3H474 E491 Y523 N525H474-V476 PolarHBondContact O-N 3.45Å; V476-E491 WeakPolarHBondContact O-CG 3.46Å; V476-Y523 PolarHBondContact N-O 2.89Å; V476-N525 HydrophobicContact CG2-CB 3.51Å
477F72.8Confident76.7Confident116 Ų11677.7 Ų77.751%0.50940%0.403SS..SBendtrans-139.4137.5177.8-61.6-68.1000109.8V475 Y523V475-F477 WeakPolarHBondContact CG1-O 3.43Å; F477-Y523 HydrophobicContact CB-CD1 3.48Å; F477-Y523 VanDerWaalsContact CB-CD1 3.48Å; F477-Y523 HydrophobicContact CB-CE1 3.97Å; F477-Y523 HydrophobicContact CB-CG 3.93Å; F477-Y523 PolarHBondContact N-O 3.44Å
478R81.6Confident78Confident190 Ų19076.5 Ų76.572%0.71741%0.406SS*.  trans-65.3139.8174.774.3-178.2-160.6138.27.3110.5I489 E491R478-I489 WeakPolarHBondContact CA-O 3.41Å; R478-E491 HydrophobicContact CB-CB 4.35Å
479Y83.6Confident79.2Confident45 Ų4571.1 Ų71.118%0.17637%0.371CS..BIsolated β-bridgetrans-136131.9174.3176.2-97.2000108.9E486 T488 I489 W506 P520 Y523Y479-E486 HydrophobicContact CE1-CB 4.31Å; Y479-E486 VanDerWaalsContact OH-CD 3.26Å; Y479-E486 PolarHBondContact OH-OE2 3.11Å; Y479-T488 CarbonylContact O-C 3.41Å; Y479-T488 WeakPolarHBondContact O-CA 3.44Å; Y479-I489 PolarHBondContact N-O 3.47Å; Y479-I489 PolarHBondContact O-N 3.28Å; Y479-I489 VanDerWaalsContact O-O 3.08Å; Y479-W506 HydrophobicContact CE1-CH2 4.16Å; Y479-W506 HydrophobicContact CE1-CZ3 4.06Å; Y479-W506 HydrophobicContact CE2-CH2 4.21Å; Y479-W506 AromaticContact CZ-CH2 3.62Å; Y479-W506 VanDerWaalsContact OH-CH2 3.29Å; Y479-W506 WeakPolarHBondContact OH-CH2 3.4Å; Y479-P520 HydrophobicContact CD1-CG 4.42Å; Y479-P520 HydrophobicContact CD2-CG 3.8Å; Y479-P520 HydrophobicContact CE2-CG 3.95Å; Y479-P520 HydrophobicContact CG-CG 4.08Å; Y479-Y523 HydrophobicContact CD2-CE1 4.17Å
480Q83.9Confident79.8Confident143 Ų14371.8 Ų71.867%0.66838%0.378SS*.  trans-107.2121.8178.7-170.1149.42700108.3G482 T488Q480-G482 PolarHBondContact O-N 3.05Å; Q480-T488 HydrophobicContact CG-CG2 4.29Å
481A81.2Confident80Confident30 Ų3074.6 Ų74.625%0.24838%0.384CS..  trans-55.5122.3-179.800000109.9E486 T488A481-E486 HydrophobicContact CB-CB 3.69Å; A481-E486 WeakPolarHBondContact CB-O 3.4Å; A481-T488 WeakPolarHBondContact CB-OG1 3.44Å; A481-T488 PolarHBondContact N-OG1 3.35Å
482G70Confident79.8Confident60 Ų6075.8 Ų75.862%0.61940%0.399SS*.SBendtrans-88.4-20.8173.300000112.4Q480 E486Q480-G482 PolarHBondContact O-N 3.05Å; G482-E486 PolarHBondContact N-OE2 3.5Å
483H71.2Confident80Confident137 Ų13772.9 Ų72.963%0.63438%0.379SS*.SBendtrans-130.7157.1-177.1-68.4-73.7000111.6D485 E486H483-D485 PolarHBondContact O-N 2.89Å; H483-E486 HydrophobicContact CB-CG 4.2Å; H483-E486 IonicContact CD2-OE1 3.54Å; H483-E486 PolarHBondContact CD2-OE1 3.47Å; H483-E486 WeakPolarHBondContact O-CB 3.42Å; H483-E486 PolarHBondContact O-N 3.01Å
484E75.7Confident80.1Confident199 Ų19978.7 Ų78.793%0.9340%0.401SS*.THydrogen-bonded Turntrans-63.2-24.5-175.6-61.4-170.1158.100113.7E486E484-E486 VanDerWaalsContact C-N 3.33Å
485D78.8Confident80.4Confident118 Ų11876.3 Ų76.363%0.63139%0.39SS*.THydrogen-bonded Turntrans-85.3-7.6178.7-59.8-34000112.8H483 G517 F518H483-D485 PolarHBondContact O-N 2.89Å; D485-G517 CarbonylContact O-C 3.48Å; D485-G517 WeakPolarHBondContact O-CA 3.3Å; D485-F518 HydrophobicContact CB-CD2 4.19Å; D485-F518 VanDerWaalsContact O-CD2 3.29Å; D485-F518 WeakPolarHBondContact O-CD2 3.5Å; D485-F518 PolarHBondContact O-N 3.45Å
486E85.9Confident80.5Confident37 Ų3779.3 Ų79.317%0.17340%0.404CS..BIsolated β-bridgetrans-96.5149.1-179-63.9173.8-171.800111.5Y479 A481 G482 H483 E484 W506 F518Y479-E486 HydrophobicContact CE1-CB 4.31Å; Y479-E486 VanDerWaalsContact OH-CD 3.26Å; Y479-E486 PolarHBondContact OH-OE2 3.11Å; A481-E486 HydrophobicContact CB-CB 3.69Å; A481-E486 WeakPolarHBondContact CB-O 3.4Å; G482-E486 PolarHBondContact N-OE2 3.5Å; H483-E486 HydrophobicContact CB-CG 4.2Å; H483-E486 IonicContact CD2-OE1 3.54Å; H483-E486 PolarHBondContact CD2-OE1 3.47Å; H483-E486 WeakPolarHBondContact O-CB 3.42Å; H483-E486 PolarHBondContact O-N 3.01Å; E484-E486 VanDerWaalsContact C-N 3.33Å; E486-W506 HydrophobicContact CG-CH2 4.43Å; E486-W506 HydrophobicContact CG-CZ3 3.99Å; E486-F518 WeakPolarHBondContact CA-O 3.45Å
487L83Confident80.7Confident7 Ų777 Ų774%0.03739%0.39CS..PPolyproline II helixtrans-101.8127.7179.4-176.966.7000110.3I489 L495 A509 N511 E515 F518 V519L487-I489 HydrophobicContact CB-CG2 4.41Å; L487-I489 HydrophobicContact CD2-CG2 4Å; L487-I489 HydrophobicContact CG-CG2 3.9Å; L487-I489 PolarHBondContact O-N 2.86Å; L487-L495 HydrophobicContact CD2-CD2 4.25Å; L487-A509 HydrophobicContact CD2-CB 4.48Å; L487-A509 WeakPolarHBondContact CD2-O 3.37Å; L487-N511 HydrophobicContact CD1-CB 4.37Å; L487-N511 HydrophobicContact CD2-CB 4.08Å; L487-E515 HydrophobicContact CD1-CB 3.76Å; L487-F518 PolarHBondContact N-O 2.86Å; L487-V519 HydrophobicContact CB-CG1 3.65Å; L487-V519 HydrophobicContact CD2-CG1 4.23Å; L487-V519 HydrophobicContact CG-CG1 4.32Å
488T85.5Confident81.2Confident63 Ų6374.6 Ų74.639%0.38738%0.382SS..PPolyproline II helixtrans-74.1123.4169.7-65.10000108.7Y479 Q480 A481Y479-T488 CarbonylContact O-C 3.41Å; Y479-T488 WeakPolarHBondContact O-CA 3.44Å; Q480-T488 HydrophobicContact CG-CG2 4.29Å; A481-T488 WeakPolarHBondContact CB-OG1 3.44Å; A481-T488 PolarHBondContact N-OG1 3.35Å
489I84.8Confident81.1Confident1 Ų170 Ų701%0.00537%0.368CS..BIsolated β-bridgetrans-125.2140.2-176.759.4171.8000110.3V475 R478 Y479 L487 L495 V519 L524V475-I489 HydrophobicContact CG1-CB 4.18Å; V475-I489 HydrophobicContact CG1-CD1 3.73Å; V475-I489 HydrophobicContact CG1-CG1 4Å; V475-I489 HydrophobicContact CG2-CB 4.01Å; V475-I489 HydrophobicContact CG2-CD1 4.07Å; V475-I489 HydrophobicContact CG2-CG1 4.48Å; R478-I489 WeakPolarHBondContact CA-O 3.41Å; Y479-I489 PolarHBondContact N-O 3.47Å; Y479-I489 PolarHBondContact O-N 3.28Å; Y479-I489 VanDerWaalsContact O-O 3.08Å; L487-I489 HydrophobicContact CB-CG2 4.41Å; L487-I489 HydrophobicContact CD2-CG2 4Å; L487-I489 HydrophobicContact CG-CG2 3.9Å; L487-I489 PolarHBondContact O-N 2.86Å; I489-L495 HydrophobicContact CB-CD1 4.16Å; I489-L495 HydrophobicContact CD1-CD1 4.36Å; I489-L495 HydrophobicContact CG2-CD1 3.44Å; I489-L495 VanDerWaalsContact CG2-CD1 3.44Å; I489-L495 HydrophobicContact CG2-CD2 4.03Å; I489-L495 HydrophobicContact CG2-CG 4.34Å; I489-V519 HydrophobicContact CD1-CB 4.01Å; I489-V519 HydrophobicContact CD1-CG1 4.07Å; I489-V519 HydrophobicContact CG1-CG1 4.44Å; I489-V519 HydrophobicContact CG2-CG1 3.61Å; I489-L524 HydrophobicContact CD1-CD2 4.07Å
490T82.4Confident80.6Confident82 Ų8271.8 Ų71.850%0.50338%0.378SS..  trans-103.9142.4-179.954.70000111.1V475 G492 E493V475-T490 VanDerWaalsContact CB-O 3.25Å; V475-T490 WeakPolarHBondContact CB-O 3.43Å; V475-T490 WeakPolarHBondContact CG1-O 3.48Å; T490-G492 PolarHBondContact O-N 3.36Å; T490-E493 PolarHBondContact N-OE2 3.33Å; T490-E493 VanDerWaalsContact N-OE2 3.08Å; T490-E493 WeakPolarHBondContact O-CB 3.39Å; T490-E493 PolarHBondContact O-N 3.06Å; T490-E493 VanDerWaalsContact O-N 3.08Å; T490-E493 PolarHBondContact OG1-OE2 3.32Å
491E82.1Confident79.4Confident136 Ų13665.9 Ų65.964%0.63636%0.356SS*.THydrogen-bonded Turntrans-59.1126.8177-174.4178164.600110.5V476 R478V476-E491 WeakPolarHBondContact O-CG 3.46Å; R478-E491 HydrophobicContact CB-CB 4.35Å
492G71.6Confident78.1Confident42 Ų4272.5 Ų72.543%0.43339%0.387SS..THydrogen-bonded Turntrans93.4-2.9-174.900000115.5V475 T490V475-G492 PolarHBondContact O-N 2.96Å; T490-G492 PolarHBondContact O-N 3.36Å
493E84.4Confident77.2Confident20 Ų2072.2 Ų72.29%0.09338%0.379CS..  trans-78.3148177.3-171.2172.6-177.500112.1V475 T490 L495 N511V475-E493 HydrophobicContact CB-CB 4.4Å; V475-E493 WeakPolarHBondContact CB-O 3.27Å; V475-E493 HydrophobicContact CG2-CB 4.11Å; V475-E493 WeakPolarHBondContact CG2-O 3.41Å; V475-E493 PolarHBondContact N-O 2.89Å; T490-E493 PolarHBondContact N-OE2 3.33Å; T490-E493 VanDerWaalsContact N-OE2 3.08Å; T490-E493 WeakPolarHBondContact O-CB 3.39Å; T490-E493 PolarHBondContact O-N 3.06Å; T490-E493 VanDerWaalsContact O-N 3.08Å; T490-E493 PolarHBondContact OG1-OE2 3.32Å; E493-L495 HydrophobicContact CG-CD2 4.15Å; E493-N511 WeakPolarHBondContact OE1-CB 3.33Å
494W81.3Confident76.5Confident122 Ų12273.5 Ų73.546%0.46239%0.391SS..EExtended strand (participates in β ladder)trans-99.7128.5170.8-74.185.5000110.4P472 A473 H474 Q512 P527P472-W494 HydrophobicContact CB-CE3 4.26Å; P472-W494 HydrophobicContact CB-CZ3 4.29Å; A473-W494 WeakPolarHBondContact O-CA 3.45Å; H474-W494 HydrophobicContact CB-CD2 4.36Å; H474-W494 HydrophobicContact CB-CE3 4.25Å; H474-W494 HydrophobicContact CB-CH2 4.22Å; H474-W494 HydrophobicContact CB-CZ2 4.3Å; H474-W494 HydrophobicContact CB-CZ3 4.18Å; H474-W494 AromaticContact CD2-CE2 3.77Å; H474-W494 AromaticContact CD2-NE1 3.71Å; W494-Q512 WeakPolarHBondContact O-CG 3.47Å; W494-Q512 PolarHBondContact O-NE2 3.25Å; W494-P527 HydrophobicContact CH2-CG 3.49Å; W494-P527 VanDerWaalsContact CH2-CG 3.49Å; W494-P527 HydrophobicContact CZ3-CG 3.49Å; W494-P527 VanDerWaalsContact CZ3-CG 3.49Å
495L86Confident76.2Confident5 Ų568.3 Ų68.33%0.02637%0.366CS..EExtended strand (participates in β ladder)trans-118.7157.3177.4-52.8173.7000110.5P472 A473 V475 L487 I489 E493 A509 R510 N511 L524P472-L495 CarbonylContact C-O 3.58Å; P472-L495 WeakPolarHBondContact CA-O 3.25Å; A473-L495 PolarHBondContact N-O 3.49Å; A473-L495 PolarHBondContact O-N 2.83Å; V475-L495 HydrophobicContact CG2-CD1 3.46Å; V475-L495 VanDerWaalsContact CG2-CD1 3.46Å; V475-L495 HydrophobicContact CG2-CD2 4.48Å; V475-L495 HydrophobicContact CG2-CG 3.69Å; L487-L495 HydrophobicContact CD2-CD2 4.25Å; I489-L495 HydrophobicContact CB-CD1 4.16Å; I489-L495 HydrophobicContact CD1-CD1 4.36Å; I489-L495 HydrophobicContact CG2-CD1 3.44Å; I489-L495 VanDerWaalsContact CG2-CD1 3.44Å; I489-L495 HydrophobicContact CG2-CD2 4.03Å; I489-L495 HydrophobicContact CG2-CG 4.34Å; E493-L495 HydrophobicContact CG-CD2 4.15Å; L495-A509 HydrophobicContact CB-CB 4.06Å; L495-A509 HydrophobicContact CD1-CB 4.07Å; L495-R510 WeakPolarHBondContact CA-O 3.47Å; L495-N511 HydrophobicContact CD2-CB 3.69Å; L495-L524 HydrophobicContact CD1-CD2 3.72Å
496E85.3Confident76.3Confident62 Ų6266.2 Ų66.229%0.2935%0.349SS..EExtended strand (participates in β ladder)trans-108.3110.3172.4-171.3177.5-169.900108.5P470 I498 A509 R510P470-E496 HydrophobicContact CB-CG 3.49Å; P470-E496 VanDerWaalsContact CB-CG 3.49Å; P470-E496 WeakPolarHBondContact CB-OE1 3.29Å; P470-E496 VanDerWaalsContact CG-OE1 3.24Å; P470-E496 WeakPolarHBondContact CG-OE1 3.48Å; E496-I498 PolarHBondContact O-N 3.49Å; E496-A509 CarbonylContact O-C 3.51Å; E496-A509 WeakPolarHBondContact O-CA 3.31Å; E496-R510 PolarHBondContact N-O 3.36Å; E496-R510 PolarHBondContact O-N 3.25Å; E496-R510 IonicContact OE1-NH2 3.4Å; E496-R510 IonicContact OE2-CZ 3.58Å; E496-R510 IonicContact OE2-NE 2.6Å; E496-R510 PolarHBondContact OE2-NE 3.39Å; E496-R510 IonicContact OE2-NH2 3.64Å; E496-R510 PolarHBondContact OE2-NH2 2.91Å
497V83.8Confident76.1Confident3 Ų364.6 Ų64.62%0.01834%0.342CS..EExtended strand (participates in β ladder)trans-76.1125.3176.5-175.50000108L469 P470 C471 A473 V507 A509 L524 F526L469-V497 HydrophobicContact CD2-CB 4.1Å; L469-V497 HydrophobicContact CD2-CG1 3.74Å; L469-V497 WeakPolarHBondContact CD2-O 3.24Å; P470-V497 VanDerWaalsContact CA-O 3.22Å; P470-V497 WeakPolarHBondContact CA-O 3.47Å; C471-V497 PolarHBondContact N-O 3.26Å; C471-V497 PolarHBondContact O-N 2.89Å; A473-V497 HydrophobicContact CB-CG2 3.8Å; V497-V507 HydrophobicContact CG1-CB 3.8Å; V497-V507 HydrophobicContact CG1-CG1 4.4Å; V497-V507 HydrophobicContact CG1-CG2 4.04Å; V497-V507 HydrophobicContact CG2-CG2 4.16Å; V497-A509 HydrophobicContact CG2-CB 4.3Å; V497-L524 HydrophobicContact CG2-CD1 3.97Å; V497-F526 HydrophobicContact CB-CE1 4.5Å; V497-F526 HydrophobicContact CG2-CE1 3.82Å; V497-F526 HydrophobicContact CG2-CZ 4.15Å
498I83.1Confident76.3Confident65 Ų6567.2 Ų67.233%0.33335%0.353SS..EExtended strand (participates in β ladder)trans-110.4-28-173.4-54.9175.6000111.3L469 E496 K508 R510 V516L469-I498 WeakPolarHBondContact CD1-O 3.28Å; E496-I498 PolarHBondContact O-N 3.49Å; I498-K508 PolarHBondContact N-O 3.48Å; I498-R510 HydrophobicContact CD1-CB 3.53Å; I498-R510 HydrophobicContact CD1-CG 4.41Å; I498-R510 HydrophobicContact CG1-CB 4.31Å; I498-V516 HydrophobicContact CD1-CG2 4.43Å
499E79.4Confident76.3Confident93 Ų9364.2 Ų64.244%0.43534%0.335SS..EExtended strand (participates in β ladder)trans-145.6135.7-177.3-151.6171.1-176.300109.6K508E499-K508 HydrophobicContact CB-CB 3.73Å; E499-K508 HydrophobicContact CB-CD 4.16Å; E499-K508 PolarHBondContact N-O 3.47Å; E499-K508 PolarHBondContact O-N 3.35Å; E499-K508 VanDerWaalsContact OE2-CD 3.28Å; E499-K508 WeakPolarHBondContact OE2-CD 3.35Å; E499-K508 IonicContact OE2-NZ 2.88Å; E499-K508 PolarHBondContact OE2-NZ 3.05Å
500E72.7Confident76.4Confident83 Ų8368.9 Ų68.939%0.38835%0.352SS..EExtended strand (participates in β ladder)trans-72.9123.5164-69177.3-17000106.4T466 R467 L469T466-E500 WeakPolarHBondContact CG2-OE2 3.42Å; R467-E500 PolarHBondContact N-OE1 3.2Å; L469-E500 HydrophobicContact CD1-CG 4.39Å
501G59.1Low76.5Confident19 Ų1965.5 Ų65.520%0.19633%0.331CS..  trans-71.4162.3-170.600000113.1A503 W506G501-A503 PolarHBondContact O-N 2.99Å; G501-A503 VanDerWaalsContact O-N 3.16Å; G501-W506 VanDerWaalsContact CA-O 3.23Å; G501-W506 WeakPolarHBondContact CA-O 3.28Å; G501-W506 PolarHBondContact N-O 3.16Å
502D53.3Low76.2Confident169 Ų16965.4 Ų65.490%0.90433%0.331SS*.SBendtrans-66.9-12.5-178.7-71.4-36.6000114.3
503A51.6Low76.4Confident54 Ų5470.5 Ų70.545%0.44634%0.343SS..SBendtrans-116.2129.3-18000000110.4G501 E505 W506G501-A503 PolarHBondContact O-N 2.99Å; G501-A503 VanDerWaalsContact O-N 3.16Å; A503-E505 PolarHBondContact O-N 3.36Å; A503-E505 VanDerWaalsContact O-N 3.13Å; A503-W506 PolarHBondContact O-N 3.33Å
504D56.7Low76Confident164 Ų16471.8 Ų71.888%0.87736%0.361SS*.THydrogen-bonded Turntrans-47.9121.5171-68.3-41.5000108.7
505E69.2Low76Confident89 Ų8971.4 Ų71.442%0.41637%0.365SS..THydrogen-bonded Turntrans92.25.2-177.6-48.8179.4-176.200118.4A503 P520 E521 R522A503-E505 PolarHBondContact O-N 3.36Å; A503-E505 VanDerWaalsContact O-N 3.13Å; E505-P520 CarbonylContact O-C 3.5Å; E505-P520 WeakPolarHBondContact O-CA 3.35Å; E505-E521 PolarHBondContact O-N 2.93Å; E505-R522 VanDerWaalsContact CD-NH2 3.31Å; E505-R522 IonicContact OE1-CZ 2.64Å; E505-R522 IonicContact OE1-NE 3.12Å; E505-R522 IonicContact OE1-NH1 3.57Å; E505-R522 IonicContact OE1-NH2 3.43Å; E505-R522 PolarHBondContact OE1-NH2 3.45Å; E505-R522 IonicContact OE2-CZ 3.87Å; E505-R522 VanDerWaalsContact OE2-CZ 3.23Å; E505-R522 IonicContact OE2-NE 3.23Å; E505-R522 PolarHBondContact OE2-NE 2.95Å; E505-R522 IonicContact OE2-NH1 3.68Å; E505-R522 PolarHBondContact OE2-NH1 3.49Å; E505-R522 IonicContact OE2-NH2 3.73Å
506W81Confident76Confident74 Ų7474.7 Ų74.728%0.2839%0.385SS..EExtended strand (participates in β ladder)trans-124.3142.7172.8-69.775000112.5Y479 E486 G501 A503 F518 V519 P520Y479-W506 HydrophobicContact CE1-CH2 4.16Å; Y479-W506 HydrophobicContact CE1-CZ3 4.06Å; Y479-W506 HydrophobicContact CE2-CH2 4.21Å; Y479-W506 AromaticContact CZ-CH2 3.62Å; Y479-W506 VanDerWaalsContact OH-CH2 3.29Å; Y479-W506 WeakPolarHBondContact OH-CH2 3.4Å; E486-W506 HydrophobicContact CG-CH2 4.43Å; E486-W506 HydrophobicContact CG-CZ3 3.99Å; G501-W506 VanDerWaalsContact CA-O 3.23Å; G501-W506 WeakPolarHBondContact CA-O 3.28Å; G501-W506 PolarHBondContact N-O 3.16Å; A503-W506 PolarHBondContact O-N 3.33Å; W506-F518 HydrophobicContact CE3-CB 3.94Å; W506-F518 HydrophobicContact CZ3-CB 4.45Å; W506-V519 WeakPolarHBondContact CA-O 3.44Å; W506-V519 VanDerWaalsContact CE3-C 3.46Å; W506-P520 HydrophobicContact CD2-CG 4.44Å; W506-P520 HydrophobicContact CE3-CG 4.2Å; W506-P520 HydrophobicContact CH2-CG 3.97Å; W506-P520 HydrophobicContact CZ2-CG 4.13Å; W506-P520 HydrophobicContact CZ3-CG 3.97Å
507V81.7Confident76Confident3 Ų371.9 Ų71.92%0.01837%0.373CS..EExtended strand (participates in β ladder)trans-130.4147.4176.9-61.20000110.8V497 F518 V519 E521 L524V497-V507 HydrophobicContact CG1-CB 3.8Å; V497-V507 HydrophobicContact CG1-CG1 4.4Å; V497-V507 HydrophobicContact CG1-CG2 4.04Å; V497-V507 HydrophobicContact CG2-CG2 4.16Å; V507-F518 CarbonylContact O-C 3.59Å; V507-F518 WeakPolarHBondContact O-CA 3.46Å; V507-V519 HydrophobicContact CG2-CG2 3.68Å; V507-V519 PolarHBondContact N-O 3.14Å; V507-V519 WeakPolarHBondContact O-CG2 3.21Å; V507-V519 PolarHBondContact O-N 3.28Å; V507-E521 HydrophobicContact CG1-CB 4.07Å; V507-E521 HydrophobicContact CG1-CG 3.98Å; V507-L524 HydrophobicContact CG2-CD1 3.46Å; V507-L524 VanDerWaalsContact CG2-CD1 3.46Å
508K86.4Confident76.1Confident63 Ų6374.4 Ų74.427%0.27438%0.383SS..EExtended strand (participates in β ladder)trans-88.7116.9175.4-160.2176.4-174.3169.80109.1I498 E499 V516 F518I498-K508 PolarHBondContact N-O 3.48Å; E499-K508 HydrophobicContact CB-CB 3.73Å; E499-K508 HydrophobicContact CB-CD 4.16Å; E499-K508 PolarHBondContact N-O 3.47Å; E499-K508 PolarHBondContact O-N 3.35Å; E499-K508 VanDerWaalsContact OE2-CD 3.28Å; E499-K508 WeakPolarHBondContact OE2-CD 3.35Å; E499-K508 IonicContact OE2-NZ 2.88Å; E499-K508 PolarHBondContact OE2-NZ 3.05Å; K508-V516 HydrophobicContact CD-CG1 4.2Å; K508-V516 HydrophobicContact CG-CG1 3.83Å; K508-F518 HydrophobicContact CB-CD1 3.99Å; K508-F518 HydrophobicContact CB-CE1 3.87Å; K508-F518 HydrophobicContact CD-CE1 4.22Å; K508-F518 HydrophobicContact CD-CZ 4.12Å; K508-F518 HydrophobicContact CG-CD1 4.34Å; K508-F518 HydrophobicContact CG-CE1 4.18Å; K508-F518 HydrophobicContact CG-CZ 4.41Å
509A85.6Confident76.2Confident0 Ų071.3 Ų71.30%037%0.368CS..EExtended strand (participates in β ladder)trans-122.5156.7-176.100000111.2L487 L495 E496 V497 V516 G517 V519L487-A509 HydrophobicContact CD2-CB 4.48Å; L487-A509 WeakPolarHBondContact CD2-O 3.37Å; L495-A509 HydrophobicContact CB-CB 4.06Å; L495-A509 HydrophobicContact CD1-CB 4.07Å; E496-A509 CarbonylContact O-C 3.51Å; E496-A509 WeakPolarHBondContact O-CA 3.31Å; V497-A509 HydrophobicContact CG2-CB 4.3Å; A509-V516 WeakPolarHBondContact O-CA 3.33Å; A509-G517 PolarHBondContact N-O 3.07Å; A509-G517 PolarHBondContact O-N 3.45Å; A509-V519 HydrophobicContact CB-CG2 3.73Å
510R87.8Confident76.3Confident99 Ų9967.5 Ų67.537%0.37435%0.351SS..EExtended strand (participates in β ladder)trans-114.5127.8173.9-179.3169.967.8-175.51.4110L495 E496 I498 E515 V516L495-R510 WeakPolarHBondContact CA-O 3.47Å; E496-R510 PolarHBondContact N-O 3.36Å; E496-R510 PolarHBondContact O-N 3.25Å; E496-R510 IonicContact OE1-NH2 3.4Å; E496-R510 IonicContact OE2-CZ 3.58Å; E496-R510 IonicContact OE2-NE 2.6Å; E496-R510 PolarHBondContact OE2-NE 3.39Å; E496-R510 IonicContact OE2-NH2 3.64Å; E496-R510 PolarHBondContact OE2-NH2 2.91Å; I498-R510 HydrophobicContact CD1-CB 3.53Å; I498-R510 HydrophobicContact CD1-CG 4.41Å; I498-R510 HydrophobicContact CG1-CB 4.31Å; R510-E515 CarbonylContact C-O 3.57Å; R510-E515 VanDerWaalsContact CA-O 3.26Å; R510-E515 WeakPolarHBondContact CA-O 3.47Å; R510-V516 HydrophobicContact CB-CG2 4.02Å; R510-V516 HydrophobicContact CG-CG2 3.97Å
511N84.1Confident76.6Confident11 Ų1166.7 Ų66.76%0.05935%0.347CS..  trans-80.7174.9174.171.89.5000112.3L487 E493 L495 H513 G514 E515L487-N511 HydrophobicContact CD1-CB 4.37Å; L487-N511 HydrophobicContact CD2-CB 4.08Å; E493-N511 WeakPolarHBondContact OE1-CB 3.33Å; L495-N511 HydrophobicContact CD2-CB 3.69Å; N511-H513 PolarHBondContact O-N 2.94Å; N511-H513 WeakPolarHBondContact OD1-CA 3.46Å; N511-H513 WeakPolarHBondContact OD1-CB 3.49Å; N511-H513 PolarHBondContact OD1-N 2.88Å; N511-G514 PolarHBondContact O-N 3.04Å; N511-G514 PolarHBondContact OD1-N 3.34Å; N511-E515 PolarHBondContact N-O 2.88Å; N511-E515 PolarHBondContact ND2-OE2 3.07Å; N511-E515 WeakPolarHBondContact OD1-CB 3.38Å; N511-E515 PolarHBondContact OD1-N 3.33Å; N511-E515 PolarHBondContact OD1-O 3.48Å
512Q76.4Confident77.6Confident134 Ų13473.9 Ų73.963%0.62637%0.368SS*.THydrogen-bonded Turntrans-67.6-17.5179.6-5617819.500112.9W494 G514W494-Q512 WeakPolarHBondContact O-CG 3.47Å; W494-Q512 PolarHBondContact O-NE2 3.25Å; Q512-G514 VanDerWaalsContact C-N 3.29Å
513H75.2Confident78.8Confident148 Ų14869.9 Ų69.969%0.68534%0.341SS*.THydrogen-bonded Turntrans-85.2-2.1175-53.697.9000112.6N511 E515N511-H513 PolarHBondContact O-N 2.94Å; N511-H513 WeakPolarHBondContact OD1-CA 3.46Å; N511-H513 WeakPolarHBondContact OD1-CB 3.49Å; N511-H513 PolarHBondContact OD1-N 2.88Å; H513-E515 VanDerWaalsContact C-N 3.33Å; H513-E515 HydrophobicContact CB-CG 4.41Å
514G75.6Confident80.1Confident47 Ų4768 Ų6849%0.48532%0.324SS..SBendtrans83.15179.200000114.6N511 Q512N511-G514 PolarHBondContact O-N 3.04Å; N511-G514 PolarHBondContact OD1-N 3.34Å; Q512-G514 VanDerWaalsContact C-N 3.29Å
515E81.6Confident81Confident115 Ų11564.7 Ų64.754%0.53731%0.306SS..  trans-77.5135.1176.4-56.8170.5148.900109.4L487 R510 N511 H513L487-E515 HydrophobicContact CD1-CB 3.76Å; R510-E515 CarbonylContact C-O 3.57Å; R510-E515 VanDerWaalsContact CA-O 3.26Å; R510-E515 WeakPolarHBondContact CA-O 3.47Å; N511-E515 PolarHBondContact N-O 2.88Å; N511-E515 PolarHBondContact ND2-OE2 3.07Å; N511-E515 WeakPolarHBondContact OD1-CB 3.38Å; N511-E515 PolarHBondContact OD1-N 3.33Å; N511-E515 PolarHBondContact OD1-O 3.48Å; H513-E515 VanDerWaalsContact C-N 3.33Å; H513-E515 HydrophobicContact CB-CG 4.41Å
516V86.5Confident81.4Confident73 Ų7362.1 Ų62.144%0.44229%0.293SS..EExtended strand (participates in β ladder)trans-117.1130.5-176.7-177.10000108.5I498 K508 A509 R510I498-V516 HydrophobicContact CD1-CG2 4.43Å; K508-V516 HydrophobicContact CD-CG1 4.2Å; K508-V516 HydrophobicContact CG-CG1 3.83Å; A509-V516 WeakPolarHBondContact O-CA 3.33Å; R510-V516 HydrophobicContact CB-CG2 4.02Å; R510-V516 HydrophobicContact CG-CG2 3.97Å
517G85.4Confident80.3Confident3 Ų362 Ų623%0.03130%0.302CS..EExtended strand (participates in β ladder)trans-167.6172.7174.700000112.1D485 A509D485-G517 CarbonylContact O-C 3.48Å; D485-G517 WeakPolarHBondContact O-CA 3.3Å; A509-G517 PolarHBondContact N-O 3.07Å; A509-G517 PolarHBondContact O-N 3.45Å
518F85.3Confident78.5Confident56 Ų5668.8 Ų68.825%0.24634%0.338CS..EExtended strand (participates in β ladder)trans-78.4138.7179-66.4-79.2000111.4D485 E486 L487 W506 V507 K508D485-F518 HydrophobicContact CB-CD2 4.19Å; D485-F518 VanDerWaalsContact O-CD2 3.29Å; D485-F518 WeakPolarHBondContact O-CD2 3.5Å; D485-F518 PolarHBondContact O-N 3.45Å; E486-F518 WeakPolarHBondContact CA-O 3.45Å; L487-F518 PolarHBondContact N-O 2.86Å; W506-F518 HydrophobicContact CE3-CB 3.94Å; W506-F518 HydrophobicContact CZ3-CB 4.45Å; V507-F518 CarbonylContact O-C 3.59Å; V507-F518 WeakPolarHBondContact O-CA 3.46Å; K508-F518 HydrophobicContact CB-CD1 3.99Å; K508-F518 HydrophobicContact CB-CE1 3.87Å; K508-F518 HydrophobicContact CD-CE1 4.22Å; K508-F518 HydrophobicContact CD-CZ 4.12Å; K508-F518 HydrophobicContact CG-CD1 4.34Å; K508-F518 HydrophobicContact CG-CE1 4.18Å; K508-F518 HydrophobicContact CG-CZ 4.41Å
519V85.4Confident76.3Confident0 Ų074 Ų740%037%0.368CS..EExtended strand (participates in β ladder)trans-135.8147.3177.8-60.80000109.8L487 I489 W506 V507 A509 E521 L524L487-V519 HydrophobicContact CB-CG1 3.65Å; L487-V519 HydrophobicContact CD2-CG1 4.23Å; L487-V519 HydrophobicContact CG-CG1 4.32Å; I489-V519 HydrophobicContact CD1-CB 4.01Å; I489-V519 HydrophobicContact CD1-CG1 4.07Å; I489-V519 HydrophobicContact CG1-CG1 4.44Å; I489-V519 HydrophobicContact CG2-CG1 3.61Å; W506-V519 WeakPolarHBondContact CA-O 3.44Å; W506-V519 VanDerWaalsContact CE3-C 3.46Å; V507-V519 HydrophobicContact CG2-CG2 3.68Å; V507-V519 PolarHBondContact N-O 3.14Å; V507-V519 WeakPolarHBondContact O-CG2 3.21Å; V507-V519 PolarHBondContact O-N 3.28Å; A509-V519 HydrophobicContact CB-CG2 3.73Å; V519-E521 PolarHBondContact O-N 3.43Å; V519-L524 HydrophobicContact CG2-CD1 3.73Å; V519-L524 HydrophobicContact CG2-CD2 4.33Å; V519-L524 HydrophobicContact CG2-CG 4.28Å
520P81.9Confident73.6Confident13 Ų1378.4 Ų78.48%0.08440%0.399CS..EExtended strand (participates in β ladder)trans-65.1127.8176.5-20.432000111.2Y479 E505 W506 R522 Y523Y479-P520 HydrophobicContact CD1-CG 4.42Å; Y479-P520 HydrophobicContact CD2-CG 3.8Å; Y479-P520 HydrophobicContact CE2-CG 3.95Å; Y479-P520 HydrophobicContact CG-CG 4.08Å; E505-P520 CarbonylContact O-C 3.5Å; E505-P520 WeakPolarHBondContact O-CA 3.35Å; W506-P520 HydrophobicContact CD2-CG 4.44Å; W506-P520 HydrophobicContact CE3-CG 4.2Å; W506-P520 HydrophobicContact CH2-CG 3.97Å; W506-P520 HydrophobicContact CZ2-CG 4.13Å; W506-P520 HydrophobicContact CZ3-CG 3.97Å; P520-R522 PolarHBondContact O-N 3.43Å; P520-Y523 HydrophobicContact CB-CD2 3.56Å; P520-Y523 HydrophobicContact CB-CE2 4.01Å; P520-Y523 HydrophobicContact CB-CG 4.04Å; P520-Y523 HydrophobicContact CG-CD2 4.15Å; P520-Y523 HydrophobicContact CG-CE2 4.36Å; P520-Y523 HydrophobicContact CG-CG 4.33Å; P520-Y523 WeakPolarHBondContact O-CB 3.33Å; P520-Y523 PolarHBondContact O-N 2.83Å
521E79.4Confident70.7Confident67 Ų6781.3 Ų81.331%0.31342%0.421SS..G310 helixtrans-59.4-36.1-178.7-167.7-176175.500111.7R467 E505 V507 V519 Y523 L524 F526R467-E521 IonicContact CZ-OE1 2.55Å; R467-E521 IonicContact NH1-OE1 2.78Å; R467-E521 PolarHBondContact NH1-OE1 3.37Å; R467-E521 IonicContact NH2-OE1 3.41Å; E505-E521 PolarHBondContact O-N 2.93Å; V507-E521 HydrophobicContact CG1-CB 4.07Å; V507-E521 HydrophobicContact CG1-CG 3.98Å; V519-E521 PolarHBondContact O-N 3.43Å; E521-Y523 PolarHBondContact O-N 3.36Å; E521-Y523 VanDerWaalsContact O-N 3.08Å; E521-L524 WeakPolarHBondContact O-CB 3.36Å; E521-L524 PolarHBondContact O-N 3.35Å; E521-F526 HydrophobicContact CG-CE2 4.21Å
522R78.5Confident68.2Low169 Ų16986.4 Ų86.464%0.63846%0.455SS*.G310 helixtrans-63.9-14.6178.8-65.6-177.5173.2175.70.1114.1E505 P520 L524E505-R522 VanDerWaalsContact CD-NH2 3.31Å; E505-R522 IonicContact OE1-CZ 2.64Å; E505-R522 IonicContact OE1-NE 3.12Å; E505-R522 IonicContact OE1-NH1 3.57Å; E505-R522 IonicContact OE1-NH2 3.43Å; E505-R522 PolarHBondContact OE1-NH2 3.45Å; E505-R522 IonicContact OE2-CZ 3.87Å; E505-R522 VanDerWaalsContact OE2-CZ 3.23Å; E505-R522 IonicContact OE2-NE 3.23Å; E505-R522 PolarHBondContact OE2-NE 2.95Å; E505-R522 IonicContact OE2-NH1 3.68Å; E505-R522 PolarHBondContact OE2-NH1 3.49Å; E505-R522 IonicContact OE2-NH2 3.73Å; P520-R522 PolarHBondContact O-N 3.43Å; R522-L524 VanDerWaalsContact C-N 3.31Å
523Y79.8Confident66Low86 Ų8688.9 Ų88.934%0.33747%0.466SS..G310 helixtrans-94.30.5-179.3-70.8-133.7000110.8V475 V476 F477 Y479 P520 E521V475-Y523 CarbonylContact C-O 3.53Å; V475-Y523 WeakPolarHBondContact CA-O 3.43Å; V476-Y523 PolarHBondContact N-O 2.89Å; F477-Y523 HydrophobicContact CB-CD1 3.48Å; F477-Y523 VanDerWaalsContact CB-CD1 3.48Å; F477-Y523 HydrophobicContact CB-CE1 3.97Å; F477-Y523 HydrophobicContact CB-CG 3.93Å; F477-Y523 PolarHBondContact N-O 3.44Å; Y479-Y523 HydrophobicContact CD2-CE1 4.17Å; P520-Y523 HydrophobicContact CB-CD2 3.56Å; P520-Y523 HydrophobicContact CB-CE2 4.01Å; P520-Y523 HydrophobicContact CB-CG 4.04Å; P520-Y523 HydrophobicContact CG-CD2 4.15Å; P520-Y523 HydrophobicContact CG-CE2 4.36Å; P520-Y523 HydrophobicContact CG-CG 4.33Å; P520-Y523 WeakPolarHBondContact O-CB 3.33Å; P520-Y523 PolarHBondContact O-N 2.83Å; E521-Y523 PolarHBondContact O-N 3.36Å; E521-Y523 VanDerWaalsContact O-N 3.08Å
524L79.1Confident63.6Low14 Ų1487.9 Ų87.97%0.07348%0.476CS..EExtended strand (participates in β ladder)trans-115.8144.6179.7-53.2-176.3000111.2A473 H474 V475 I489 L495 V497 V507 V519 E521 R522 F526A473-L524 HydrophobicContact CB-CB 4.15Å; A473-L524 HydrophobicContact CB-CD1 4.07Å; H474-L524 CarbonylContact O-C 3.5Å; H474-L524 WeakPolarHBondContact O-CA 3.3Å; V475-L524 HydrophobicContact CB-CD2 4.49Å; V475-L524 HydrophobicContact CG2-CD2 3.81Å; I489-L524 HydrophobicContact CD1-CD2 4.07Å; L495-L524 HydrophobicContact CD1-CD2 3.72Å; V497-L524 HydrophobicContact CG2-CD1 3.97Å; V507-L524 HydrophobicContact CG2-CD1 3.46Å; V507-L524 VanDerWaalsContact CG2-CD1 3.46Å; V519-L524 HydrophobicContact CG2-CD1 3.73Å; V519-L524 HydrophobicContact CG2-CD2 4.33Å; V519-L524 HydrophobicContact CG2-CG 4.28Å; E521-L524 WeakPolarHBondContact O-CB 3.36Å; E521-L524 PolarHBondContact O-N 3.35Å; R522-L524 VanDerWaalsContact C-N 3.31Å; L524-F526 HydrophobicContact CB-CE2 4.13Å; L524-F526 HydrophobicContact CB-CZ 4.3Å; L524-F526 HydrophobicContact CD1-CZ 4.26Å
525N76.2Confident61.2Low94 Ų9488.8 Ų88.850%0.50349%0.485SS..EExtended strand (participates in β ladder)trans-118.2128171.4-174.321.7000109H474 V476H474-N525 PolarHBondContact N-O 3.09Å; H474-N525 PolarHBondContact O-N 3.48Å; V476-N525 HydrophobicContact CG2-CB 3.51Å
526F75.8Confident58.6Low36 Ų3691.6 Ų91.616%0.15850%0.498CS..PPolyproline II helixtrans-98.5124.7-178.4-62.8-90.8000109R467 A473 V497 E521 L524 D528R467-F526 VanDerWaalsContact CZ-CD2 3.45Å; R467-F526 VanDerWaalsContact CZ-CE2 3.47Å; A473-F526 HydrophobicContact CB-CD1 3.83Å; A473-F526 HydrophobicContact CB-CE1 3.6Å; A473-F526 HydrophobicContact CB-CZ 4.11Å; V497-F526 HydrophobicContact CB-CE1 4.5Å; V497-F526 HydrophobicContact CG2-CE1 3.82Å; V497-F526 HydrophobicContact CG2-CZ 4.15Å; E521-F526 HydrophobicContact CG-CE2 4.21Å; L524-F526 HydrophobicContact CB-CE2 4.13Å; L524-F526 HydrophobicContact CB-CZ 4.3Å; L524-F526 HydrophobicContact CD1-CZ 4.26Å; F526-D528 PolarHBondContact O-N 2.84Å
527P59.2Low55.6Low70 Ų7094.4 Ų94.446%0.45551%0.511SS..PPolyproline II helixtrans-67.6119.4177.5-13.827.1000110.6P472 W494 L529P472-P527 VanDerWaalsContact O-CD 3.31Å; P472-P527 WeakPolarHBondContact O-CD 3.37Å; W494-P527 HydrophobicContact CH2-CG 3.49Å; W494-P527 VanDerWaalsContact CH2-CG 3.49Å; W494-P527 HydrophobicContact CZ3-CG 3.49Å; W494-P527 VanDerWaalsContact CZ3-CG 3.49Å; P527-L529 PolarHBondContact O-N 3.32Å
528D43.4Very low52.8Low146 Ų14699 Ų9978%0.78154%0.543SS*.PPolyproline II helixtrans-57.6122.4179.1-96.4-30.5000112.6F526F526-D528 PolarHBondContact O-N 2.84Å
529L41.2Very low49.9Very low173 Ų173104.3 Ų104.391%0.90657%0.573SS**  trans-104.766152.6-77.3174.6000109P527P527-L529 PolarHBondContact O-N 3.32Å
530S28.7Very low47.3Very low92 Ų92111.9 Ų111.964%0.64361%0.614SS**SBendtrans176.2107.5139.131.70000115.9
531L26Very low44.9Very low160 Ų160116.6 Ų116.684%0.83865%0.645SS**  trans79.4158.3146.9-69148.4000119.8
532P32.3Very low42.3Very low118 Ų118119.7 Ų119.777%0.76667%0.673SS**  -112.7171.6-89.626.2-3.6000114.3
533E29.1Very low39.8Very low187 Ų187115.3 Ų115.387%0.87468%0.681SS**  trans-36.6143.3179.6-57.8179.7133.300117.7
534S24.5Very low37.4Very low126 Ų126116.4 Ų116.488%0.88171%0.708SS**  169.9130105.639.10000114.5
535G25.9Very low35Very low66 Ų66124.6 Ų124.668%0.6875%0.746SS**  trans103.299.6138.600000119.7
536Q27.1Very low33.2Very low175 Ų175125.6 Ų125.682%0.81876%0.758SS**  47.5140.3123.9-68.4-177.6-81.200119.8
537D24.5Very low31.1Very low131 Ų131130.9 Ų130.970%0.70179%0.793SS**  cis-165.3154.79.5-103.5-35.5000108.8
538S25.9Very low30.2Very low100 Ų100131.2 Ų131.270%0.69980%0.801SS**  trans-19.8136.3166.7-43.90000120.5
539D24.6Very low31.1Very low167 Ų167130.3 Ų130.389%0.89379%0.791SS**  -179.6145.590.6-108.1-21.8000112.9
540N30.6Very low32.3Very low159 Ų159125.4 Ų125.485%0.8577%0.765SS**  trans-83.1164.6-167.6-135.213.4000114.1
541P31.7Very low34.3Very low113 Ų113121 Ų12173%0.73474%0.735SS**  trans-93.3168.3-172.238.3-32.8000113.4
542S25.4Very low36.8Very low131 Ų131118.2 Ų118.292%0.91671%0.713SS**  trans-136127.2169.6-153.10000111.5
543G25.8Very low38.8Very low77 Ų77112.7 Ų112.779%0.79468%0.677SS**  trans115.3101.8139.900000119.1
544A28.5Very low40.6Very low110 Ų110107 Ų10791%0.90965%0.652SS**  -169.4136.9128.800000112.1
545E29.2Very low42.4Very low186 Ų186107.4 Ų107.487%0.86964%0.636SS**PPolyproline II helixtrans-84.2168.6-168.8-80.1-93.9143.400116.1
546P38.2Very low44.8Very low115 Ų115108.1 Ų108.175%0.74763%0.63SS**PPolyproline II helixtrans-99.9156.3-170.433.5-21.7000116
547T32.4Very low47.1Very low146 Ų146101.5 Ų101.590%0.89660%0.598SS**PPolyproline II helixtrans-96.3143.6-172.5-42.10000113.5
548A40.3Very low49.7Very low77 Ų77100.7 Ų100.764%0.63660%0.598SS**PPolyproline II helixtrans-102.3157.8-173.800000115.5
549F61.1Low52.2Low127 Ų12797 Ų9756%0.55758%0.576SS**PPolyproline II helixtrans-80.2139.8-172.2-64.1-94.6000115.7L608F549-L608 HydrophobicContact CD1-CD1 4.25Å; F549-L608 HydrophobicContact CD1-CD2 4.18Å; F549-L608 HydrophobicContact CD1-CG 4.46Å; F549-L608 HydrophobicContact CE1-CD1 4.12Å; F549-L608 HydrophobicContact CE1-CD2 4.16Å
550L66.5Low54.2Low71 Ų7197.5 Ų97.537%0.37257%0.573SS.*EExtended strand (participates in β ladder)trans-136153.3-177.6-98.4111.1000113.5L572 L607L550-L572 HydrophobicContact CD2-CB 3.93Å; L550-L607 PolarHBondContact O-N 3.18Å
551A71.5Confident55.9Low0 Ų092.6 Ų92.60%055%0.551CS.*EExtended strand (participates in β ladder)trans-129.2157.7174.200000112.6L572 I573 L575 V604 E605A551-L572 CarbonylContact O-C 3.53Å; A551-L572 WeakPolarHBondContact O-CA 3.33Å; A551-I573 PolarHBondContact N-O 3.09Å; A551-I573 PolarHBondContact O-N 3.39Å; A551-L575 HydrophobicContact CB-CD1 3.97Å; A551-L575 HydrophobicContact CB-CD2 4.11Å; A551-L575 HydrophobicContact CB-CG 3.97Å; A551-V604 HydrophobicContact CB-CG2 4.35Å; A551-E605 CarbonylContact C-O 3.54Å; A551-E605 WeakPolarHBondContact CA-O 3.35Å
552R77.3Confident57.5Low100 Ų10092.6 Ų92.638%0.37756%0.561SS.*EExtended strand (participates in β ladder)trans-118.1131.1178.9178.917765.1-177-0.3111.8L554 A571 L572 V604 E605 L607R552-L554 PolarHBondContact O-N 3Å; R552-A571 CarbonylContact C-O 3.52Å; R552-A571 WeakPolarHBondContact CA-O 3.42Å; R552-L572 HydrophobicContact CB-CD2 3.94Å; R552-L572 HydrophobicContact CG-CD2 4.35Å; R552-V604 CarbonylContact O-C 3.54Å; R552-V604 VanDerWaalsContact O-CA 3.31Å; R552-V604 WeakPolarHBondContact O-CA 3.31Å; R552-E605 IonicContact CZ-OE2 2.7Å; R552-E605 PolarHBondContact N-O 2.82Å; R552-E605 IonicContact NE-OE2 3.12Å; R552-E605 IonicContact NH2-OE2 3.64Å; R552-E605 PolarHBondContact NH2-OE2 3.29Å; R552-E605 PolarHBondContact O-N 3.49Å; R552-L607 HydrophobicContact CB-CD1 3.57Å; R552-L607 HydrophobicContact CB-CD2 4.21Å; R552-L607 HydrophobicContact CB-CG 3.76Å; R552-L607 HydrophobicContact CG-CD1 4.47Å
553A74.5Confident59.5Low2 Ų293.8 Ų93.82%0.01755%0.552CS.*EExtended strand (participates in β ladder)trans-68126.1174.800000112.1F567 G570 A571 I573 V604A553-F567 HydrophobicContact CB-CD2 3.39Å; A553-F567 HydrophobicContact CB-CE2 3.44Å; A553-F567 VanDerWaalsContact CB-CE2 3.44Å; A553-F567 HydrophobicContact CB-CG 4.49Å; A553-G570 VanDerWaalsContact O-CA 3.23Å; A553-G570 WeakPolarHBondContact O-CA 3.48Å; A553-G570 PolarHBondContact O-N 3.2Å; A553-A571 HydrophobicContact CB-CB 4.18Å; A553-A571 PolarHBondContact N-O 2.94Å; A553-I573 HydrophobicContact CB-CD1 4.41Å; A553-V604 HydrophobicContact CB-CG1 4.4Å
554L67.1Low62.1Low67 Ų6792.2 Ų92.235%0.35152%0.524SS..SBendtrans-85.5-21.4174.2-66.7178.8000112.7R552 E569 L603 E605R552-L554 PolarHBondContact O-N 3Å; L554-E569 VanDerWaalsContact O-CG 3.31Å; L554-E569 WeakPolarHBondContact O-CG 3.4Å; L554-L603 PolarHBondContact N-O 2.96Å; L554-E605 HydrophobicContact CD1-CB 4.04Å; L554-E605 HydrophobicContact CD2-CB 3.9Å; L554-E605 HydrophobicContact CG-CB 3.89Å
555Y63.1Low64.6Low136 Ų13687.3 Ų87.353%0.53348%0.482SS..SBendtrans-143.2154.3177.3-56.9-76.9000110.4L603Y555-L603 HydrophobicContact CD2-CD2 4.05Å
556S75.6Confident66.9Low81 Ų8181.4 Ų81.457%0.56646%0.461SS*.  trans-72.5132.4173.161.80000110.7F567S556-F567 CarbonylContact C-O 3.56Å; S556-F567 WeakPolarHBondContact CA-O 3.46Å
557Y75.9Confident68.9Low36 Ų3676.2 Ų76.214%0.14143%0.427CS..BIsolated β-bridgetrans-120.9134.8178.2-171.8-111.9000111.3E564 L565 S566 F567 F599 P600 L603Y557-E564 HydrophobicContact CE1-CB 4.44Å; Y557-E564 PolarHBondContact OH-OE2 2.92Å; Y557-L565 WeakPolarHBondContact CD1-O 3.27Å; Y557-S566 CarbonylContact O-C 3.57Å; Y557-S566 VanDerWaalsContact O-CA 3.29Å; Y557-S566 WeakPolarHBondContact O-CA 3.39Å; Y557-F567 HydrophobicContact CD1-CE1 4.48Å; Y557-F567 PolarHBondContact N-O 2.91Å; Y557-F567 PolarHBondContact O-N 2.85Å; Y557-F599 HydrophobicContact CD1-CB 4.39Å; Y557-P600 HydrophobicContact CE2-CG 4.22Å; Y557-L603 HydrophobicContact CD2-CD1 3.37Å; Y557-L603 HydrophobicContact CE2-CD1 3.96Å; Y557-L603 HydrophobicContact CG-CD1 3.85Å
558T77.9Confident70.4Confident114 Ų11473 Ų7370%0.69941%0.408SS*.  trans-116.5112.4171.644.60000108
559G79Confident71.8Confident23 Ų2375.4 Ų75.424%0.23741%0.406CS..  trans-62.2136.1-178.700000110.9E564 S566G559-E564 WeakPolarHBondContact CA-OE2 3.25Å; G559-S566 PolarHBondContact N-OG 2.92Å
560Q65.8Low71.9Confident176 Ų17671.4 Ų71.482%0.82240%0.401SS*.SBendtrans-90.4-9-176.5-61.8179.925.700112.3E564Q560-E564 PolarHBondContact N-OE2 3.47Å
561S68.2Low72.3Confident56 Ų5668.5 Ų68.539%0.39239%0.387SS..SBendtrans-136.3163.917970.30000111.4E563 E564S561-E563 PolarHBondContact O-N 3.2Å; S561-E563 VanDerWaalsContact O-N 3.17Å; S561-E564 PolarHBondContact O-N 3.44Å; S561-E564 WeakPolarHBondContact OG-CG 3.5Å; S561-E564 PolarHBondContact OG-OE1 3.23Å
562A65.1Low72.4Confident114 Ų11473 Ų7394%0.94241%0.411SS*.THydrogen-bonded Turntrans-68.9-9.1-179.900000114
563E67.2Low72.2Confident155 Ų15568.3 Ų68.372%0.72439%0.393SS*.THydrogen-bonded Turntrans-95.4-9.8179.5-62178.9-172.800112.1S561 G597 V598S561-E563 PolarHBondContact O-N 3.2Å; S561-E563 VanDerWaalsContact O-N 3.17Å; E563-G597 VanDerWaalsContact O-CA 3.3Å; E563-G597 WeakPolarHBondContact O-CA 3.4Å; E563-V598 PolarHBondContact O-N 3.06Å
564E79.8Confident72.3Confident45 Ų4574.1 Ų74.121%0.2142%0.415CS..BIsolated β-bridgetrans-97.2138.4-178-75.2168.7-125.400113.3Y557 G559 Q560 S561 V598Y557-E564 HydrophobicContact CE1-CB 4.44Å; Y557-E564 PolarHBondContact OH-OE2 2.92Å; G559-E564 WeakPolarHBondContact CA-OE2 3.25Å; Q560-E564 PolarHBondContact N-OE2 3.47Å; S561-E564 PolarHBondContact O-N 3.44Å; S561-E564 WeakPolarHBondContact OG-CG 3.5Å; S561-E564 PolarHBondContact OG-OE1 3.23Å; E564-V598 CarbonylContact C-O 3.53Å; E564-V598 WeakPolarHBondContact CA-O 3.47Å; E564-V598 HydrophobicContact CG-CG2 4.34Å
565L80.6Confident72.5Confident7 Ų772.8 Ų72.84%0.03741%0.408CS..PPolyproline II helixtrans-86.9118.2-177.8-170.868.6000111.2Y557 F567 I573 F592 H595 V598 F599Y557-L565 WeakPolarHBondContact CD1-O 3.27Å; L565-F567 HydrophobicContact CD2-CD1 4.25Å; L565-F567 HydrophobicContact CG-CD1 4.18Å; L565-F567 WeakPolarHBondContact O-CD1 3.31Å; L565-F567 WeakPolarHBondContact O-CE1 3.45Å; L565-I573 HydrophobicContact CD2-CG2 4.16Å; L565-F592 HydrophobicContact CD1-CB 4.35Å; L565-F592 HydrophobicContact CD2-CB 3.86Å; L565-F592 HydrophobicContact CG-CB 4.34Å; L565-H595 HydrophobicContact CD1-CB 4.05Å; L565-H595 WeakPolarHBondContact CD1-O 3.33Å; L565-V598 PolarHBondContact N-O 3.31Å; L565-F599 HydrophobicContact CB-CD1 3.98Å; L565-F599 HydrophobicContact CD2-CD1 3.79Å; L565-F599 HydrophobicContact CD2-CE1 3.89Å
566S78.9Confident72.7Confident61 Ų6168.6 Ų68.643%0.42740%0.395SS..PPolyproline II helixtrans-89.7133.9174.1-56.10000111.3Y557 G559Y557-S566 CarbonylContact O-C 3.57Å; Y557-S566 VanDerWaalsContact O-CA 3.29Å; Y557-S566 WeakPolarHBondContact O-CA 3.39Å; G559-S566 PolarHBondContact N-OG 2.92Å
567F78.4Confident72Confident7 Ų770.4 Ų70.43%0.03140%0.404CS..BIsolated β-bridgetrans-151148.6178.149.4-98000111.9A553 S556 Y557 L565 A571 I573 F592 F599 V604A553-F567 HydrophobicContact CB-CD2 3.39Å; A553-F567 HydrophobicContact CB-CE2 3.44Å; A553-F567 VanDerWaalsContact CB-CE2 3.44Å; A553-F567 HydrophobicContact CB-CG 4.49Å; S556-F567 CarbonylContact C-O 3.56Å; S556-F567 WeakPolarHBondContact CA-O 3.46Å; Y557-F567 HydrophobicContact CD1-CE1 4.48Å; Y557-F567 PolarHBondContact N-O 2.91Å; Y557-F567 PolarHBondContact O-N 2.85Å; L565-F567 HydrophobicContact CD2-CD1 4.25Å; L565-F567 HydrophobicContact CG-CD1 4.18Å; L565-F567 WeakPolarHBondContact O-CD1 3.31Å; L565-F567 WeakPolarHBondContact O-CE1 3.45Å; F567-A571 HydrophobicContact CB-CB 3.96Å; F567-I573 HydrophobicContact CD1-CD1 3.61Å; F567-I573 HydrophobicContact CD2-CD1 4Å; F567-I573 HydrophobicContact CE1-CD1 3.64Å; F567-I573 HydrophobicContact CE2-CD1 4.03Å; F567-I573 HydrophobicContact CG-CD1 3.79Å; F567-I573 HydrophobicContact CZ-CD1 3.85Å; F567-F592 HydrophobicContact CB-CD1 3.74Å; F567-F592 HydrophobicContact CB-CE1 4Å; F567-F592 HydrophobicContact CB-CG 4.25Å; F567-F599 HydrophobicContact CE1-CB 3.6Å; F567-F599 AromaticContact CE1-CD1 3.94Å; F567-F599 HydrophobicContact CE1-CD1 3.94Å; F567-F599 AromaticContact CE1-CD2 3.87Å; F567-F599 HydrophobicContact CE1-CD2 3.87Å; F567-F599 AromaticContact CE1-CG 3.52Å; F567-F599 HydrophobicContact CE1-CG 3.52Å; F567-F599 HydrophobicContact CZ-CB 4.08Å; F567-F599 AromaticContact CZ-CD2 3.9Å; F567-F599 HydrophobicContact CZ-CD2 3.9Å; F567-F599 HydrophobicContact CZ-CG 4Å; F567-V604 HydrophobicContact CE2-CG1 4.13Å; F567-V604 HydrophobicContact CZ-CG1 3.85Å
568P63.9Low71Confident77 Ų7775.5 Ų75.550%0.542%0.423SS..  trans-76.9161.1173.431.8-33.7000112.2G570 A571 F592P568-G570 PolarHBondContact O-N 2.93Å; P568-A571 HydrophobicContact CG-CB 4.36Å; P568-A571 WeakPolarHBondContact O-CB 3.41Å; P568-A571 PolarHBondContact O-N 3.33Å; P568-F592 HydrophobicContact CG-CZ 4.49Å
569E71.2Confident69.6Low128 Ų12874.6 Ų74.660%0.59843%0.427SS*.THydrogen-bonded Turntrans-57.5133.3174.5-173.1169.8150.300110.5L554L554-E569 VanDerWaalsContact O-CG 3.31Å; L554-E569 WeakPolarHBondContact O-CG 3.4Å
570G63.3Low68Low44 Ų4482.6 Ų82.645%0.45446%0.458SS..THydrogen-bonded Turntrans86.2-0.2-177.400000115.9A553 P568A553-G570 VanDerWaalsContact O-CA 3.23Å; A553-G570 WeakPolarHBondContact O-CA 3.48Å; A553-G570 PolarHBondContact O-N 3.2Å; P568-G570 PolarHBondContact O-N 2.93Å
571A73.1Confident66.8Low9 Ų981.4 Ų81.47%0.07446%0.458CS..  trans-63.6136.7177.300000113.2R552 A553 F567 P568 F592R552-A571 CarbonylContact C-O 3.52Å; R552-A571 WeakPolarHBondContact CA-O 3.42Å; A553-A571 HydrophobicContact CB-CB 4.18Å; A553-A571 PolarHBondContact N-O 2.94Å; F567-A571 HydrophobicContact CB-CB 3.96Å; P568-A571 HydrophobicContact CG-CB 4.36Å; P568-A571 WeakPolarHBondContact O-CB 3.41Å; P568-A571 PolarHBondContact O-N 3.33Å; A571-F592 HydrophobicContact CB-CD2 4.04Å; A571-F592 HydrophobicContact CB-CE1 4.23Å; A571-F592 HydrophobicContact CB-CE2 3.49Å; A571-F592 VanDerWaalsContact CB-CE2 3.49Å; A571-F592 HydrophobicContact CB-CZ 3.59Å
572L73.9Confident65.9Low96 Ų9682.7 Ų82.750%0.50348%0.48SS..EExtended strand (participates in β ladder)trans-90.5116.7173.7-69.5174.7000110.5L550 A551 R552 F592 L607L550-L572 HydrophobicContact CD2-CB 3.93Å; A551-L572 CarbonylContact O-C 3.53Å; A551-L572 WeakPolarHBondContact O-CA 3.33Å; R552-L572 HydrophobicContact CB-CD2 3.94Å; R552-L572 HydrophobicContact CG-CD2 4.35Å; L572-F592 WeakPolarHBondContact O-CD2 3.37Å; L572-L607 HydrophobicContact CD2-CD1 3.5Å; L572-L607 VanDerWaalsContact CD2-CD1 3.5Å
573I73.2Confident64.8Low0 Ų083 Ų830%047%0.47CS..EExtended strand (participates in β ladder)trans-111.5128.4-173.1-55.1166.3000108.5A551 A553 L565 F567 F592 F599 V604A551-I573 PolarHBondContact N-O 3.09Å; A551-I573 PolarHBondContact O-N 3.39Å; A553-I573 HydrophobicContact CB-CD1 4.41Å; L565-I573 HydrophobicContact CD2-CG2 4.16Å; F567-I573 HydrophobicContact CD1-CD1 3.61Å; F567-I573 HydrophobicContact CD2-CD1 4Å; F567-I573 HydrophobicContact CE1-CD1 3.64Å; F567-I573 HydrophobicContact CE2-CD1 4.03Å; F567-I573 HydrophobicContact CG-CD1 3.79Å; F567-I573 HydrophobicContact CZ-CD1 3.85Å; I573-F592 HydrophobicContact CG1-CB 4.3Å; I573-F592 HydrophobicContact CG1-CD2 4.4Å; I573-F599 HydrophobicContact CB-CZ 4.48Å; I573-F599 HydrophobicContact CD1-CE1 4.35Å; I573-F599 HydrophobicContact CD1-CE2 4.31Å; I573-F599 HydrophobicContact CD1-CZ 4.06Å; I573-F599 HydrophobicContact CG2-CE1 3.73Å; I573-F599 HydrophobicContact CG2-CZ 3.77Å; I573-V604 HydrophobicContact CD1-CG1 3.86Å
574R76.2Confident64Low125 Ų12580.7 Ų80.747%0.47246%0.462SS..EExtended strand (participates in β ladder)trans-81.9119.1174.2-173.3173.168.7-162.53.3108.9G590 E591R574-G590 CarbonylContact O-C 3.53Å; R574-G590 WeakPolarHBondContact O-CA 3.36Å; R574-E591 IonicContact CZ-OE2 2.84Å; R574-E591 PolarHBondContact N-O 3Å; R574-E591 VanDerWaalsContact N-O 3.16Å; R574-E591 IonicContact NE-OE2 2.76Å; R574-E591 IonicContact NH2-OE1 3.92Å; R574-E591 IonicContact NH2-OE2 3.61Å; R574-E591 PolarHBondContact NH2-OE2 3.28Å; R574-E591 PolarHBondContact O-N 3.49Å
575L72.5Confident62.9Low38 Ų3884.5 Ų84.520%0.19948%0.484CS..EExtended strand (participates in β ladder)trans-76.4135-179.4-64.4179.3000110.2A551 W588 F599 E606A551-L575 HydrophobicContact CB-CD1 3.97Å; A551-L575 HydrophobicContact CB-CD2 4.11Å; A551-L575 HydrophobicContact CB-CG 3.97Å; L575-W588 HydrophobicContact CD1-CE3 4.1Å; L575-W588 HydrophobicContact CD1-CZ3 4.09Å; L575-W588 HydrophobicContact CD2-CE3 3.88Å; L575-F599 HydrophobicContact CD2-CZ 3.99Å; L575-E606 HydrophobicContact CD1-CG 4.36Å
576L67.9Low62Low49 Ų4985.4 Ų85.426%0.25750%0.496SS..PPolyproline II helixtrans-102.1150.3175.2-70.4165.8000109.5R578 R589 E591 V596L576-R578 PolarHBondContact O-N 2.97Å; L576-R589 PolarHBondContact N-O 2.78Å; L576-E591 HydrophobicContact CD1-CB 4.47Å; L576-V596 HydrophobicContact CD1-CG1 3.55Å; L576-V596 HydrophobicContact CD1-CG2 4.15Å
577P59.1Low61.6Low119 Ų11986.8 Ų86.877%0.77349%0.494SS*.PPolyproline II helixtrans-57133-177-21.931.6000112
578R56.5Low61.5Low142 Ų14288.1 Ų88.154%0.53650%0.499SS..PPolyproline II helixtrans-65.6135.2177.2-61.4-169.7-168.8-179.913.6109.6L576 D584 W588L576-R578 PolarHBondContact O-N 2.97Å; R578-D584 IonicContact CZ-OD2 3.37Å; R578-D584 VanDerWaalsContact NH1-CG 3.34Å; R578-D584 IonicContact NH1-OD1 3.84Å; R578-D584 PolarHBondContact NH1-OD1 2.82Å; R578-D584 IonicContact NH1-OD2 3.96Å; R578-D584 PolarHBondContact NH1-OD2 2.72Å; R578-W588 VanDerWaalsContact CZ-NE1 3.3Å
579A47Very low62.1Low95 Ų9590.9 Ų90.979%0.78550%0.499SS*.PPolyproline II helixtrans-66.1140175.600000109.9D581A579-D581 VanDerWaalsContact C-N 3.27Å; A579-D581 PolarHBondContact O-N 3.46Å
580Q45.5Very low62.4Low191 Ų19184.8 Ų84.889%0.89347%0.471SS*.SBendtrans-84.959.4-160.9-153.8159.520.100111.8
581D41.7Very low63.1Low151 Ų15185.4 Ų85.481%0.80746%0.462SS*.SBendtrans-142.173.5176.5-75.4-48000111.5A579 V583A579-D581 VanDerWaalsContact C-N 3.27Å; A579-D581 PolarHBondContact O-N 3.46Å; D581-V583 PolarHBondContact O-N 2.66Å
582G49.8Very low63.2Low83 Ų8388 Ų8886%0.85647%0.471SS*.SBend70.40.4126.500000123.7
583V40.6Very low62.7Low122 Ų12286.6 Ų86.674%0.73948%0.48SS*.  trans-146.6129.3166.3-175.70000109.9D581 D585D581-V583 PolarHBondContact O-N 2.66Å; V583-D585 PolarHBondContact O-N 3.03Å
584D51.2Low62.4Low105 Ų10589.4 Ų89.456%0.56151%0.51SS*.  trans-79.396.6169.8-161.3-16.3000108.5R578 G586R578-D584 IonicContact CZ-OD2 3.37Å; R578-D584 VanDerWaalsContact NH1-CG 3.34Å; R578-D584 IonicContact NH1-OD1 3.84Å; R578-D584 PolarHBondContact NH1-OD1 2.82Å; R578-D584 IonicContact NH1-OD2 3.96Å; R578-D584 PolarHBondContact NH1-OD2 2.72Å; D584-G586 PolarHBondContact O-N 2.77Å; D584-G586 PolarHBondContact OD1-N 2.96Å
585D55.8Low61.9Low125 Ų12590.2 Ų90.267%0.66852%0.519SS*.  trans-83.86.4178.448.7-8.4000112.7V583 F587V583-D585 PolarHBondContact O-N 3.03Å; D585-F587 VanDerWaalsContact C-N 3.33Å; D585-F587 WeakPolarHBondContact O-CD2 3.42Å; D585-F587 PolarHBondContact O-N 3.26Å
586G63.1Low62.1Low27 Ų2791.6 Ų91.628%0.27853%0.528SS..SBendtrans80.69.8171.800000114.7D584 S601D584-G586 PolarHBondContact O-N 2.77Å; D584-G586 PolarHBondContact OD1-N 2.96Å; G586-S601 PolarHBondContact O-N 2.76Å; G586-S601 PolarHBondContact O-OG 3.03Å
587F69.9Low62.5Low89 Ų8989.4 Ų89.439%0.3952%0.518SS..EExtended strand (participates in β ladder)trans-115.4131.9176.2-76.5-105000111.1D585 V598 F599 P600D585-F587 VanDerWaalsContact C-N 3.33Å; D585-F587 WeakPolarHBondContact O-CD2 3.42Å; D585-F587 PolarHBondContact O-N 3.26Å; F587-V598 HydrophobicContact CB-CB 4.5Å; F587-F599 CarbonylContact C-O 3.5Å; F587-F599 WeakPolarHBondContact CA-O 3.5Å; F587-F599 VanDerWaalsContact CD1-C 3.49Å; F587-P600 HydrophobicContact CD1-CG 4.11Å; F587-P600 HydrophobicContact CE1-CB 4.3Å; F587-P600 HydrophobicContact CE1-CG 3.53Å; F587-P600 HydrophobicContact CZ-CB 4.48Å; F587-P600 HydrophobicContact CZ-CG 3.87Å
588W76.8Confident63.4Low36 Ų3686 Ų8614%0.13650%0.495CS..EExtended strand (participates in β ladder)trans-104.4150.5177.3-68.4-0.2000110.9L575 R578 V598 F599 S601 V604L575-W588 HydrophobicContact CD1-CE3 4.1Å; L575-W588 HydrophobicContact CD1-CZ3 4.09Å; L575-W588 HydrophobicContact CD2-CE3 3.88Å; R578-W588 VanDerWaalsContact CZ-NE1 3.3Å; W588-V598 CarbonylContact O-C 3.59Å; W588-V598 VanDerWaalsContact O-CA 3.23Å; W588-V598 WeakPolarHBondContact O-CA 3.34Å; W588-F599 HydrophobicContact CB-CE2 4.05Å; W588-F599 HydrophobicContact CB-CZ 4.16Å; W588-F599 PolarHBondContact N-O 2.83Å; W588-F599 PolarHBondContact O-N 3.48Å; W588-S601 VanDerWaalsContact CD1-CB 3.49Å; W588-S601 VanDerWaalsContact CD2-CB 3.46Å; W588-V604 HydrophobicContact CE3-CG2 3.67Å; W588-V604 HydrophobicContact CZ3-CG2 3.75Å
589R75.2Confident64.4Low135 Ų13579.2 Ų79.251%0.50947%0.469SS..EExtended strand (participates in β ladder)trans-104.9128.4176.2-159.7166.6-174-111.50.1109.4L576 V596 V598L576-R589 PolarHBondContact N-O 2.78Å; R589-V596 HydrophobicContact CG-CG1 4.34Å; R589-V598 HydrophobicContact CB-CG1 4.11Å; R589-V598 HydrophobicContact CG-CG1 4.02Å
590G77.3Confident65.8Low0 Ų075.8 Ų75.80%044%0.439CS..EExtended strand (participates in β ladder)trans-152.5174.218000000112.3R574 G597R574-G590 CarbonylContact O-C 3.53Å; R574-G590 WeakPolarHBondContact O-CA 3.36Å; G590-G597 PolarHBondContact N-O 3.02Å; G590-G597 PolarHBondContact O-N 3.45Å
591E78.2Confident67.1Low56 Ų5667.7 Ų67.726%0.26240%0.404SS..EExtended strand (participates in β ladder)trans-119.2127.9-179.2-171.5-178.5157.600110.3R574 L576 H595 V596R574-E591 IonicContact CZ-OE2 2.84Å; R574-E591 PolarHBondContact N-O 3Å; R574-E591 VanDerWaalsContact N-O 3.16Å; R574-E591 IonicContact NE-OE2 2.76Å; R574-E591 IonicContact NH2-OE1 3.92Å; R574-E591 IonicContact NH2-OE2 3.61Å; R574-E591 PolarHBondContact NH2-OE2 3.28Å; R574-E591 PolarHBondContact O-N 3.49Å; L576-E591 HydrophobicContact CD1-CB 4.47Å; E591-H595 WeakPolarHBondContact CA-O 3.35Å; E591-V596 HydrophobicContact CB-CG2 3.99Å; E591-V596 HydrophobicContact CG-CG2 3.78Å
592F75.9Confident68.6Low63 Ų6367.8 Ų67.828%0.27640%0.403SS..EExtended strand (participates in β ladder)trans-138.8127.5174.1-177.3-108.9000110L565 F567 P568 A571 L572 I573 G594 H595L565-F592 HydrophobicContact CD1-CB 4.35Å; L565-F592 HydrophobicContact CD2-CB 3.86Å; L565-F592 HydrophobicContact CG-CB 4.34Å; F567-F592 HydrophobicContact CB-CD1 3.74Å; F567-F592 HydrophobicContact CB-CE1 4Å; F567-F592 HydrophobicContact CB-CG 4.25Å; P568-F592 HydrophobicContact CG-CZ 4.49Å; A571-F592 HydrophobicContact CB-CD2 4.04Å; A571-F592 HydrophobicContact CB-CE1 4.23Å; A571-F592 HydrophobicContact CB-CE2 3.49Å; A571-F592 VanDerWaalsContact CB-CE2 3.49Å; A571-F592 HydrophobicContact CB-CZ 3.59Å; L572-F592 WeakPolarHBondContact O-CD2 3.37Å; I573-F592 HydrophobicContact CG1-CB 4.3Å; I573-F592 HydrophobicContact CG1-CD2 4.4Å; F592-G594 PolarHBondContact O-N 3.25Å; F592-H595 PolarHBondContact N-O 3.17Å; F592-H595 PolarHBondContact O-N 3.01Å; F592-H595 VanDerWaalsContact O-N 3.1Å
593G63.3Low69.5Low67 Ų6765.8 Ų65.869%0.69137%0.372SS*.THydrogen-bonded Turntrans58.732178.500000114.6H595G593-H595 VanDerWaalsContact C-N 3.26Å; G593-H595 PolarHBondContact O-N 3.43Å; G593-H595 PolarHBondContact O-ND1 3.02Å; G593-H595 VanDerWaalsContact O-ND1 3.09Å
594G66.2Low70.9Confident60 Ų6060.4 Ų60.462%0.61934%0.34SS*.THydrogen-bonded Turntrans77.34-178.900000115.2F592F592-G594 PolarHBondContact O-N 3.25Å
595H66.1Low71.9Confident142 Ų14259.3 Ų59.366%0.65733%0.332SS*.EExtended strand (participates in β ladder)trans-105.9136174.9-6475000109.3L565 E591 F592 G593L565-H595 HydrophobicContact CD1-CB 4.05Å; L565-H595 WeakPolarHBondContact CD1-O 3.33Å; E591-H595 WeakPolarHBondContact CA-O 3.35Å; F592-H595 PolarHBondContact N-O 3.17Å; F592-H595 PolarHBondContact O-N 3.01Å; F592-H595 VanDerWaalsContact O-N 3.1Å; G593-H595 VanDerWaalsContact C-N 3.26Å; G593-H595 PolarHBondContact O-N 3.43Å; G593-H595 PolarHBondContact O-ND1 3.02Å; G593-H595 VanDerWaalsContact O-ND1 3.09Å
596V77.6Confident72.2Confident66 Ų6657.7 Ų57.740%0.432%0.32SS..EExtended strand (participates in β ladder)trans-113.1126.1179.9178.40000108.5L576 R589 E591L576-V596 HydrophobicContact CD1-CG1 3.55Å; L576-V596 HydrophobicContact CD1-CG2 4.15Å; R589-V596 HydrophobicContact CG-CG1 4.34Å; E591-V596 HydrophobicContact CB-CG2 3.99Å; E591-V596 HydrophobicContact CG-CG2 3.78Å
597G75.6Confident71.7Confident4 Ų459.7 Ų59.74%0.04132%0.324CS..EExtended strand (participates in β ladder)trans-159.4174.7179.300000111.3E563 G590E563-G597 VanDerWaalsContact O-CA 3.3Å; E563-G597 WeakPolarHBondContact O-CA 3.4Å; G590-G597 PolarHBondContact N-O 3.02Å; G590-G597 PolarHBondContact O-N 3.45Å
598V79.3Confident70.5Confident47 Ų4760.8 Ų60.829%0.28533%0.333SS..EExtended strand (participates in β ladder)trans-94.8150.4175.2-65.40000111.2E563 E564 L565 F587 W588 R589E563-V598 PolarHBondContact O-N 3.06Å; E564-V598 CarbonylContact C-O 3.53Å; E564-V598 WeakPolarHBondContact CA-O 3.47Å; E564-V598 HydrophobicContact CG-CG2 4.34Å; L565-V598 PolarHBondContact N-O 3.31Å; F587-V598 HydrophobicContact CB-CB 4.5Å; W588-V598 CarbonylContact O-C 3.59Å; W588-V598 VanDerWaalsContact O-CA 3.23Å; W588-V598 WeakPolarHBondContact O-CA 3.34Å; R589-V598 HydrophobicContact CB-CG1 4.11Å; R589-V598 HydrophobicContact CG-CG1 4.02Å
599F75.9Confident68.3Low0 Ų063 Ų630%037%0.368CS..EExtended strand (participates in β ladder)trans-151.9152.4177.556.4-92.1000110.7Y557 L565 F567 I573 L575 F587 W588 S601 V604Y557-F599 HydrophobicContact CD1-CB 4.39Å; L565-F599 HydrophobicContact CB-CD1 3.98Å; L565-F599 HydrophobicContact CD2-CD1 3.79Å; L565-F599 HydrophobicContact CD2-CE1 3.89Å; F567-F599 HydrophobicContact CE1-CB 3.6Å; F567-F599 AromaticContact CE1-CD1 3.94Å; F567-F599 HydrophobicContact CE1-CD1 3.94Å; F567-F599 AromaticContact CE1-CD2 3.87Å; F567-F599 HydrophobicContact CE1-CD2 3.87Å; F567-F599 AromaticContact CE1-CG 3.52Å; F567-F599 HydrophobicContact CE1-CG 3.52Å; F567-F599 HydrophobicContact CZ-CB 4.08Å; F567-F599 AromaticContact CZ-CD2 3.9Å; F567-F599 HydrophobicContact CZ-CD2 3.9Å; F567-F599 HydrophobicContact CZ-CG 4Å; I573-F599 HydrophobicContact CB-CZ 4.48Å; I573-F599 HydrophobicContact CD1-CE1 4.35Å; I573-F599 HydrophobicContact CD1-CE2 4.31Å; I573-F599 HydrophobicContact CD1-CZ 4.06Å; I573-F599 HydrophobicContact CG2-CE1 3.73Å; I573-F599 HydrophobicContact CG2-CZ 3.77Å; L575-F599 HydrophobicContact CD2-CZ 3.99Å; F587-F599 CarbonylContact C-O 3.5Å; F587-F599 WeakPolarHBondContact CA-O 3.5Å; F587-F599 VanDerWaalsContact CD1-C 3.49Å; W588-F599 HydrophobicContact CB-CE2 4.05Å; W588-F599 HydrophobicContact CB-CZ 4.16Å; W588-F599 PolarHBondContact N-O 2.83Å; W588-F599 PolarHBondContact O-N 3.48Å; F599-S601 PolarHBondContact O-N 3.37Å; F599-V604 HydrophobicContact CD2-CG1 3.82Å; F599-V604 HydrophobicContact CD2-CG2 4.46Å; F599-V604 HydrophobicContact CE2-CB 4.21Å; F599-V604 HydrophobicContact CE2-CG1 3.46Å; F599-V604 VanDerWaalsContact CE2-CG1 3.46Å; F599-V604 HydrophobicContact CE2-CG2 3.65Å; F599-V604 HydrophobicContact CZ-CG1 4.38Å
600P76.4Confident66.8Low22 Ų2261.9 Ų61.914%0.14338%0.378CS..EExtended strand (participates in β ladder)trans-61129.5179.9-1928.1000111.8Y557 F587 L602 L603Y557-P600 HydrophobicContact CE2-CG 4.22Å; F587-P600 HydrophobicContact CD1-CG 4.11Å; F587-P600 HydrophobicContact CE1-CB 4.3Å; F587-P600 HydrophobicContact CE1-CG 3.53Å; F587-P600 HydrophobicContact CZ-CB 4.48Å; F587-P600 HydrophobicContact CZ-CG 3.87Å; P600-L602 PolarHBondContact O-N 3.48Å; P600-L603 HydrophobicContact CB-CD1 3.97Å; P600-L603 HydrophobicContact CB-CG 4.21Å; P600-L603 HydrophobicContact CG-CD1 3.8Å; P600-L603 PolarHBondContact O-N 2.94Å
601S73.3Confident64.9Low22 Ų2267.9 Ų67.915%0.15442%0.417CS..G310 helixtrans-62.5-31.3-178.261.30000113.5G586 W588 F599 L603 V604G586-S601 PolarHBondContact O-N 2.76Å; G586-S601 PolarHBondContact O-OG 3.03Å; W588-S601 VanDerWaalsContact CD1-CB 3.49Å; W588-S601 VanDerWaalsContact CD2-CB 3.46Å; F599-S601 PolarHBondContact O-N 3.37Å; S601-L603 PolarHBondContact O-N 3.33Å; S601-L603 VanDerWaalsContact O-N 3.09Å; S601-V604 WeakPolarHBondContact O-CG2 3.29Å; S601-V604 PolarHBondContact O-N 3.28Å; S601-V604 VanDerWaalsContact O-N 3.13Å; S601-V604 VanDerWaalsContact O-O 3.07Å
602L74.1Confident62.6Low153 Ų15368.6 Ų68.680%0.80144%0.439SS*.G310 helixtrans-63.3-15179.5-66.1170.4000114P600P600-L602 PolarHBondContact O-N 3.48Å
603L67.1Low60.9Low40 Ų4071.8 Ų71.821%0.20947%0.467CS..G310 helixtrans-92.6-3.7-179.3-61.5173000112.7L554 Y555 Y557 P600 S601L554-L603 PolarHBondContact N-O 2.96Å; Y555-L603 HydrophobicContact CD2-CD2 4.05Å; Y557-L603 HydrophobicContact CD2-CD1 3.37Å; Y557-L603 HydrophobicContact CE2-CD1 3.96Å; Y557-L603 HydrophobicContact CG-CD1 3.85Å; P600-L603 HydrophobicContact CB-CD1 3.97Å; P600-L603 HydrophobicContact CB-CG 4.21Å; P600-L603 HydrophobicContact CG-CD1 3.8Å; P600-L603 PolarHBondContact O-N 2.94Å; S601-L603 PolarHBondContact O-N 3.33Å; S601-L603 VanDerWaalsContact O-N 3.09Å
604V70.5Confident59.3Low10 Ų1074.4 Ų74.46%0.06147%0.471CS..EExtended strand (participates in β ladder)trans-130.3150.1-178.4-51.10000111.1A551 R552 A553 F567 I573 W588 F599 S601A551-V604 HydrophobicContact CB-CG2 4.35Å; R552-V604 CarbonylContact O-C 3.54Å; R552-V604 VanDerWaalsContact O-CA 3.31Å; R552-V604 WeakPolarHBondContact O-CA 3.31Å; A553-V604 HydrophobicContact CB-CG1 4.4Å; F567-V604 HydrophobicContact CE2-CG1 4.13Å; F567-V604 HydrophobicContact CZ-CG1 3.85Å; I573-V604 HydrophobicContact CD1-CG1 3.86Å; W588-V604 HydrophobicContact CE3-CG2 3.67Å; W588-V604 HydrophobicContact CZ3-CG2 3.75Å; F599-V604 HydrophobicContact CD2-CG1 3.82Å; F599-V604 HydrophobicContact CD2-CG2 4.46Å; F599-V604 HydrophobicContact CE2-CB 4.21Å; F599-V604 HydrophobicContact CE2-CG1 3.46Å; F599-V604 VanDerWaalsContact CE2-CG1 3.46Å; F599-V604 HydrophobicContact CE2-CG2 3.65Å; F599-V604 HydrophobicContact CZ-CG1 4.38Å; S601-V604 WeakPolarHBondContact O-CG2 3.29Å; S601-V604 PolarHBondContact O-N 3.28Å; S601-V604 VanDerWaalsContact O-N 3.13Å; S601-V604 VanDerWaalsContact O-O 3.07Å
605E72.3Confident57.3Low82 Ų8280.9 Ų80.938%0.38349%0.485SS..EExtended strand (participates in β ladder)trans-110.4124.5175-177.2-178-15700108.3A551 R552 L554 L607A551-E605 CarbonylContact C-O 3.54Å; A551-E605 WeakPolarHBondContact CA-O 3.35Å; R552-E605 IonicContact CZ-OE2 2.7Å; R552-E605 PolarHBondContact N-O 2.82Å; R552-E605 IonicContact NE-OE2 3.12Å; R552-E605 IonicContact NH2-OE2 3.64Å; R552-E605 PolarHBondContact NH2-OE2 3.29Å; R552-E605 PolarHBondContact O-N 3.49Å; L554-E605 HydrophobicContact CD1-CB 4.04Å; L554-E605 HydrophobicContact CD2-CB 3.9Å; L554-E605 HydrophobicContact CG-CB 3.89Å; E605-L607 PolarHBondContact O-N 3.4Å
606E63.2Low55.5Low90 Ų9082.3 Ų82.342%0.42150%0.497SS..EExtended strand (participates in β ladder)trans-70.9123.1177-167.7168.1-171.800109.8L575 L608L575-E606 HydrophobicContact CD1-CG 4.36Å; E606-L608 PolarHBondContact O-N 3.03Å
607L52.8Low53.2Low69 Ų6984.8 Ų84.836%0.36152%0.517SS..  trans-94.278.3-177-69.3-175.4000109.7L550 R552 L572 E605L550-L607 PolarHBondContact O-N 3.18Å; R552-L607 HydrophobicContact CB-CD1 3.57Å; R552-L607 HydrophobicContact CB-CD2 4.21Å; R552-L607 HydrophobicContact CB-CG 3.76Å; R552-L607 HydrophobicContact CG-CD1 4.47Å; L572-L607 HydrophobicContact CD2-CD1 3.5Å; L572-L607 VanDerWaalsContact CD2-CD1 3.5Å; E605-L607 PolarHBondContact O-N 3.4Å
608L43.8Very low50.8Low112 Ų11292.3 Ų92.359%0.58656%0.556SS**  trans-100.9113.1153.3-77.5165.2000107.1F549 E606 P610F549-L608 HydrophobicContact CD1-CD1 4.25Å; F549-L608 HydrophobicContact CD1-CD2 4.18Å; F549-L608 HydrophobicContact CD1-CG 4.46Å; F549-L608 HydrophobicContact CE1-CD1 4.12Å; F549-L608 HydrophobicContact CE1-CD2 4.16Å; E606-L608 PolarHBondContact O-N 3.03Å; L608-P610 WeakPolarHBondContact O-CD 3.49Å
609G29.6Very low48.7Very low84 Ų8495.6 Ų95.687%0.86658%0.579SS**  trans-65.4125.2-170.800000114.2
610P43.7Very low46.4Very low111 Ų111104.2 Ų104.272%0.72162%0.619SS**  trans-122.8-166164.940.8-20000109.1L608L608-P610 WeakPolarHBondContact O-CD 3.49Å
611P39.3Very low44.2Very low125 Ų125111.3 Ų111.381%0.81265%0.65SS**  -143.813367.532.7-11.3000114.1
612G28.1Very low41.9Very low72 Ų72119.6 Ų119.674%0.74269%0.689SS**  80.8143.788.300000112.7
613P40.5Very low39.7Very low130 Ų130120 Ų12084%0.84469%0.691SS**  cis-140.2179.936.733-8.3000115.8
614P29.8Very low38.2Very low121 Ų121123.7 Ų123.779%0.78672%0.717SS**PPolyproline II helixtrans-103.1155.9-156.738-29.3000114.5
615E24.8Very low36.2Very low197 Ų197128.4 Ų128.492%0.92175%0.751SS**PPolyproline II helixtrans-101.9152.3158.9-87.5-153.5138.400112.4
616L28.3Very low34.2Very low172 Ų172130.4 Ų130.490%0.90177%0.771SS**PPolyproline II helixtrans-74146.7-170.7-70.5144.1000112.3
617S28.5Very low32.7Very low117 Ų117131.7 Ų131.782%0.81879%0.79SS**PPolyproline II helixtrans-55.7136.2167.3-26.30000113
618D25.3Very low31.5Very low162 Ų162134.1 Ų134.187%0.86681%0.81SS**PPolyproline II helixtrans-75.1150.1158.9-107.8-26.4000111.4
619P35.2Very low30.9Very low117 Ų117133.8 Ų133.876%0.7681%0.814SS**PPolyproline II helixtrans-95.3146.6169.334.6-28.7000113.5
620E29.2Very low30.9Very low180 Ų180134.8 Ų134.884%0.84181%0.808SS**PPolyproline II helixtrans-61.6135.3173-79.7174.8108.500115
621Q29.2Very low30.3Very low172 Ų172138.7 Ų138.780%0.80481%0.814SS**  trans36116.9133.2-60.8-176.9-5.400121.6
622M24.6Very low29.8Very low196 Ų196137.5 Ų137.597%0.96681%0.809SS**  -168.1129125.6-111.3-168.5159.600113.2
623L28.9Very low30Very low162 Ų162139.7 Ų139.785%0.84881%0.81SS**  trans-86.4176.7168.5-70.3165.3000111.1
624P35.7Very low29.5Very low117 Ų117139.6 Ų139.676%0.7681%0.809SS**  cis-127.5179-29.530-8.6000113.8
625S26.7Very low29.6Very low108 Ų108138.2 Ų138.276%0.75581%0.808SS**  trans-49.6156.8178.546.10000118.4
626P30.6Very low30Very low125 Ų125134.7 Ų134.781%0.81280%0.802SS**  -141.6148.1106.936.7-22.2000115.6
627S31.9Very low30.1Very low117 Ų117133.3 Ų133.382%0.81880%0.801SS**  trans-76.8151.2176.2-34.70000113.5
628P28.8Very low30.1Very low120 Ų120133 Ų13378%0.77980%0.799SS**  -153.7-175.2121.739.3-21.6000114
629P30.8Very low30.3Very low104 Ų104132.2 Ų132.268%0.67580%0.8SS**  -105.3165.8-71.436.9-23.7000113.4
630S30.2Very low30.2Very low105 Ų105133.4 Ų133.473%0.73480%0.799SS**  trans-81.5129.6171.9174.60000111.4
631F29.8Very low30.3Very low194 Ų194132.3 Ų132.385%0.85180%0.799SS**  trans-125.4107.3163.2-92.6-84000109.1
632S29.9Very low30.3Very low100 Ų100127.5 Ų127.570%0.69980%0.795SS**PPolyproline II helixtrans-93.5138167.8-58.30000110
633P31.7Very low31.1Very low118 Ų118124.4 Ų124.477%0.76679%0.79SS**PPolyproline II helixtrans-81.4152.3166.332.1-30.7000111.2
634P30.5Very low31.5Very low128 Ų128122.7 Ų122.783%0.83179%0.788SS**PPolyproline II helixtrans-79.3144.2-174.931.7-33000112.5
635A31.3Very low31.2Very low92 Ų92121.7 Ų121.776%0.7679%0.79SS**PPolyproline II helixtrans-79.2154169.400000111.6
636P32.7Very low31.7Very low123 Ų123122.7 Ų122.780%0.79979%0.793SS**PPolyproline II helixtrans-79.3144.9-172.632-33.9000113
637T30.1Very low31.7Very low142 Ų142122.8 Ų122.887%0.87179%0.791SS**PPolyproline II helixtrans-71.1127.2172.433.80000112.4
638S28.9Very low31.6Very low112 Ų112124.5 Ų124.578%0.78379%0.791SS**PPolyproline II helixtrans-79.7139.6164.7-57.50000111.8
639V30.4Very low32Very low145 Ų145124.3 Ų124.388%0.87979%0.789SS**  trans-134.6134.9155.3-178.10000108.2
640L33.1Very low31.7Very low141 Ų141122.8 Ų122.874%0.73879%0.793SS**  trans-79.8159.9-173-115.983.2000114.8
641D30.1Very low31.7Very low158 Ų158125.4 Ų125.485%0.84580%0.799SS**  trans92.3120.7141.9-78.1-16.9000124.2
642G29.4Very low31.7Very low70 Ų70126.1 Ų126.172%0.72280%0.801SS**  trans175.5129.2159.200000111.8
643P41Very low31.6Very low132 Ų132125.9 Ų125.986%0.85781%0.806SS**  trans-88.4171.2-153.236.7-37.9000116.3
644P38.5Very low31.6Very low126 Ų126128.4 Ų128.482%0.81881%0.812SS**  trans-105.3158.1-165.139.1-31.3000115
645A28.7Very low31.4Very low96 Ų96129.8 Ų129.879%0.79381%0.812SS**  trans164.8163.314600000111.2
646P37.2Very low31.3Very low128 Ų128134.9 Ų134.983%0.83182%0.818SS**  cis-128.2-178.2-3433.4-14.2000112.6
647V30.3Very low31.5Very low127 Ų127135 Ų13577%0.7782%0.818SS**  trans-99.5156.5-173.3-164.70000112.1
648L29.6Very low31.2Very low154 Ų154131.6 Ų131.681%0.80681%0.811SS**  trans93.1157153.3-62.5-177.8000118.9
649P37.9Very low31.1Very low115 Ų115133.9 Ų133.975%0.74781%0.814SS**  cis-140.6168.2-21.429.7-8.1000115.9
650G25.4Very low31Very low73 Ų73134.5 Ų134.575%0.75381%0.811SS**  63.1121.3123.800000123.4
651D28.7Very low30.8Very low160 Ų160134.3 Ų134.386%0.85681%0.811SS**  trans38.1121.5143.1-77.5-15.2000121.8
652K29.4Very low30.7Very low208 Ų208134.7 Ų134.790%0.90481%0.81SS**  -179.2134.1107.7-96.5172.9-174.5-177.70112.9
653A28.6Very low30.7Very low96 Ų96138.6 Ų138.679%0.79381%0.811SS**  trans-69.9139.6165.700000111.6
654L31.6Very low30.3Very low170 Ų170138.1 Ų138.189%0.8981%0.806SS**  trans-151.8147.4151.5-80.3-175.1000110.9
655D26.8Very low29.9Very low157 Ų157137.4 Ų137.484%0.8480%0.801SS**  trans-68.2157.9-161.3-65.4-64.3000118.3
656F28Very low29.9Very low199 Ų199144.2 Ų144.287%0.87381%0.806SS**  trans-61.8166.2161.7-75-83.7000111.9
657P36.9Very low29.6Very low126 Ų126146.3 Ų146.382%0.81881%0.809SS**  cis-151.217333.739.1-16.3000118.7
658G25.2Very low29.7Very low70 Ų70151.2 Ų151.272%0.72281%0.814SS**  trans110.198142.200000118.9
659L26.8Very low29.7Very low160 Ų160150 Ų15084%0.83882%0.815SS**  trans53.6108.7132.9-144.6143.5000118.1
660L27.8Very low29.4Very low158 Ų158153.2 Ų153.283%0.82782%0.823SS**  177.6125.4129.4-91.2164.2000111.7
661D28.9Very low29.8Very low137 Ų137161.1 Ų161.173%0.73383%0.83SS**  trans61.987.7145.8-128.710.5000120.3M663D661-M663 PolarHBondContact O-N 3.14Å
662M28.7Very low29.9Very low167 Ų167158.9 Ų158.982%0.82382%0.824SS**  trans-87.399.9166.3-82.2-59-45.400111.4V664M662-V664 PolarHBondContact O-N 3.02Å
663M29.7Very low30.2Very low151 Ų151154.6 Ų154.674%0.74482%0.817SS**PPolyproline II helixtrans-61.8121.1158.5-78.4-91.3149.200110.2D661 P665D661-M663 PolarHBondContact O-N 3.14Å; M663-P665 WeakPolarHBondContact O-CD 3.39Å
664V30.7Very low30.4Very low123 Ų123155.7 Ų155.775%0.74582%0.816SS**PPolyproline II helixtrans-75.6123.8174.61760000110.3M662 R666M662-V664 PolarHBondContact O-N 3.02Å; V664-R666 PolarHBondContact O-N 3.45Å
665P30.5Very low30.5Very low111 Ų111153.3 Ų153.372%0.72181%0.811SS**PPolyproline II helixtrans-77.6116.7164.1-9.226.4000109.7M663 L667M663-P665 WeakPolarHBondContact O-CD 3.39Å; P665-L667 PolarHBondContact O-N 2.73Å
666R30.2Very low30.9Very low239 Ų239151.4 Ų151.490%0.90281%0.808SS**  trans-65.9109.8172.3-73.4-172.6162.9172.1-3.2110.9V664V664-R666 PolarHBondContact O-N 3.45Å
667L30Very low31.4Very low171 Ų171148.1 Ų148.190%0.89581%0.806SS**PPolyproline II helixtrans-86.6126.3162.6-69.7172.8000109.8P665P665-L667 PolarHBondContact O-N 2.73Å
668R31.6Very low31.4Very low230 Ų230146.9 Ų146.987%0.86881%0.807SS**PPolyproline II helixtrans-76.7149.8175.4-71.9-179.3178.6170.5-0110.7
669P30Very low32.1Very low128 Ų128153.4 Ų153.483%0.83182%0.815SS**PPolyproline II helixtrans-68.9134.8177.315.6-15.8000113
670M32.8Very low32.9Very low184 Ų184150.3 Ų150.391%0.90681%0.812SS**PPolyproline II helixtrans-74.9143.3169.7-79-78133.600111
671R32.8Very low33.5Very low239 Ų239148.8 Ų148.890%0.90281%0.812SS**PPolyproline II helixtrans-74.1144.1-178.8-146.6178.9-159.3-1803.8110.4
672P32.2Very low34.4Very low112 Ų112149.8 Ų149.873%0.72782%0.817SS**PPolyproline II helixtrans-69.9151.9174.226.6-32.4000112.6
673P34.3Very low35.1Very low118 Ų118147.9 Ų147.977%0.76682%0.817SS**PPolyproline II helixtrans-71.9154.7177.429.2-34000112.9
674P33.2Very low35.5Very low119 Ų119144 Ų14477%0.77382%0.816SS**PPolyproline II helixtrans-73154.5179.730.2-34.2000113
675P34Very low35.8Very low121 Ų121147.3 Ų147.379%0.78682%0.823SS**PPolyproline II helixtrans-72.8157178.630.2-34.6000113.1
676P34.9Very low36.8Very low117 Ų117147 Ų14776%0.7682%0.821SS**PPolyproline II helixtrans-69.2154.9178.628.8-34.6000112.8
677P37.8Very low37.3Very low130 Ų130143.3 Ų143.384%0.84482%0.819SS**PPolyproline II helixtrans-67.1135-176.826.6-33000112.2
678A37.9Very low38.3Very low100 Ų100141 Ų14183%0.82681%0.814SS**PPolyproline II helixtrans-68.4140.1175.900000111.6
679K40Very low39.2Very low207 Ų207137.9 Ų137.990%0.981%0.814SS**PPolyproline II helixtrans-58.5141.7169.9-82.6178.2172.9179.10110.5
680A43.9Very low40Very low94 Ų94142.2 Ų142.278%0.77784%0.838SS**PPolyproline II helixtrans-59.1147.4177.100000112.5
681P40.3Very low40.4Very low127 Ų127140.1 Ų140.183%0.82584%0.835SS**PPolyproline II helixtrans-78.7137.717830.7-31.7000112
682D46.3Very low40.8Very low157 Ų157134.9 Ų134.984%0.8483%0.831SS**PPolyproline II helixtrans-75.1136.3169.3-151.67.1000109.1G684D682-G684 PolarHBondContact O-N 3.25Å
683P45Very low41.2Very low127 Ų127136.2 Ų136.283%0.82584%0.837SS**  trans-88102.6-175.132.7-26.2000109.9
684G37.8Very low41.7Very low69 Ų69137.2 Ų137.271%0.71184%0.841SS**  trans-174.7101.6174.800000115.8D682D682-G684 PolarHBondContact O-N 3.25Å
685H36.2Very low42.2Very low193 Ų193138.4 Ų138.489%0.89485%0.846SS**  trans81.8149.6157.8-96.9-33.5000119.9
686P51.1Low42.7Very low105 Ų105139.5 Ų139.568%0.68285%0.85SS**  trans-109.6158.2-141.915.211.2000111.5
687D41.8Very low43.3Very low162 Ų162141.1 Ų141.187%0.86686%0.856SS**  trans-57149174.8-63.3-44.9000113.1
688P51Low43.7Very low122 Ų122142 Ų14279%0.79286%0.857SS**  trans-106.8123.8143.731.4-18.9000110.4T690P688-T690 PolarHBondContact O-N 3.43Å
689L50.5Low44.2Very low165 Ų165145.5 Ų145.586%0.86486%0.859SS**  trans-36.7122.7159-68.1144000112.7
690T46.4Very low44.6Very low218 Ų218139.9 Ų139.9100%1.33786%0.856SS**  -178.30108.214.70000112P688P688-T690 PolarHBondContact O-N 3.43Å

Retrieved 690 of 690 residues in 158.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).