A0A087Y6E7_POEFO Loading...

Dishevelled-binding antagonist of beta-catenin 2

AlphaFold DB , UniProt , Accession A0A087Y6E7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 832 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.3Very low49.7Very low246 Ų246134.4 Ų134.4100%1.21276%0.763SS**  0157.90-63.5171.884.500108.8
2L40.4Very low50.6Low179 Ų179130.4 Ų130.494%0.93774%0.743SS**  trans-77.4137.5-166.7-71.7140.7000113.6
3T45.8Very low51.8Low135 Ų135127.3 Ų127.383%0.82872%0.723SS**  trans-80.4119.1173.340.40000111K5T3-K5 VanDerWaalsContact C-N 3.33Å; T3-K5 PolarHBondContact O-N 3.43Å
4R50.6Low53.3Low245 Ų245132.9 Ų132.993%0.92573%0.727SS**  trans-7773.5-176-169.7-174.7-72.4-155.4-1.5112.1G6R4-G6 VanDerWaalsContact C-N 3.29Å; R4-G6 PolarHBondContact O-N 2.97Å
5K53.2Low54.8Low210 Ų210125.9 Ų125.991%0.91370%0.698SS**  trans-81.870.5176.3-160.6169.6-174.4176.50111.4T3T3-K5 VanDerWaalsContact C-N 3.33Å; T3-K5 PolarHBondContact O-N 3.43Å
6G46.9Very low56.5Low63 Ų63125.2 Ų125.265%0.64968%0.681SS**  trans-78.2136.2-175.700000114.4R4 S8R4-G6 VanDerWaalsContact C-N 3.29Å; R4-G6 PolarHBondContact O-N 2.97Å; G6-S8 PolarHBondContact O-N 3.24Å
7S51.7Low58Low105 Ų105123.1 Ų123.173%0.73467%0.673SS**  trans-36.6121.9-178.9-174.50000116.6A9S7-A9 PolarHBondContact OG-N 2.86Å
8S52.9Low59.5Low97 Ų97126.9 Ų126.968%0.67868%0.676SS**  trans-1017.716764.90000113.6G6 T11G6-S8 PolarHBondContact O-N 3.24Å; S8-T11 PolarHBondContact O-OG1 2.92Å; S8-T11 VanDerWaalsContact O-OG1 3.09Å
9A52.3Low60.7Low59 Ų59126.8 Ų126.849%0.48867%0.672SS.*Hα-helixtrans-78.8-47.7-176.600000112S7 T11 V12S7-A9 PolarHBondContact OG-N 2.86Å; A9-T11 PolarHBondContact O-N 2.81Å; A9-V12 PolarHBondContact O-N 2.79Å; A9-V12 VanDerWaalsContact O-N 3.09Å
10G54.8Low61.8Low42 Ų42125.7 Ų125.743%0.43366%0.657SS.*Hα-helixtrans-68-7.2-173.800000115.9R14G10-R14 WeakPolarHBondContact O-CG 3.42Å
11T57.2Low63.2Low97 Ų97124.7 Ų124.760%0.59565%0.652SS**Hα-helixtrans-81.5-35.9171.648.30000112S8 A9 R14 G15S8-T11 PolarHBondContact O-OG1 2.92Å; S8-T11 VanDerWaalsContact O-OG1 3.09Å; A9-T11 PolarHBondContact O-N 2.81Å; T11-R14 PolarHBondContact O-N 2.8Å; T11-G15 PolarHBondContact O-N 2.88Å
12V60.5Low65.5Low87 Ų87116.9 Ų116.953%0.52761%0.613SS.*Hα-helixtrans-68.2-45.6-179.3-177.10000110.6A9 R14 G15 R16A9-V12 PolarHBondContact O-N 2.79Å; A9-V12 VanDerWaalsContact O-N 3.09Å; V12-R14 VanDerWaalsContact C-N 3.31Å; V12-R14 PolarHBondContact O-N 3.07Å; V12-G15 WeakPolarHBondContact O-CA 3.48Å; V12-G15 PolarHBondContact O-N 3.11Å; V12-G15 VanDerWaalsContact O-N 3.11Å; V12-R16 PolarHBondContact O-N 3.15Å
13D65.4Low67.6Low90 Ų90108.5 Ų108.548%0.48157%0.57SS.*Hα-helixtrans-68.2-30.9177.7-69.7-43.8000112.6G15 R16 V17D13-G15 VanDerWaalsContact C-N 3.34Å; D13-R16 PolarHBondContact O-N 2.75Å; D13-R16 IonicContact OD1-NE 2.77Å; D13-V17 WeakPolarHBondContact O-CB 3.43Å; D13-V17 VanDerWaalsContact O-CG2 3.27Å; D13-V17 WeakPolarHBondContact O-CG2 3.34Å; D13-V17 PolarHBondContact O-N 3.04Å
14R73.7Confident69.7Low205 Ų205103.5 Ų103.577%0.77454%0.542SS*.Hα-helixtrans-65.2-36.4169.9-83.1179.2149.1170.2-6.3112.5G10 T11 V12 R18G10-R14 WeakPolarHBondContact O-CG 3.42Å; T11-R14 PolarHBondContact O-N 2.8Å; V12-R14 VanDerWaalsContact C-N 3.31Å; V12-R14 PolarHBondContact O-N 3.07Å; R14-R18 WeakPolarHBondContact O-CB 3.3Å; R14-R18 PolarHBondContact O-N 2.79Å; R14-R18 VanDerWaalsContact O-N 3.14Å
15G76Confident71.6Confident29 Ų2996.2 Ų96.230%0.29952%0.521SS..Hα-helixtrans-60.4-55.1168.700000111.6T11 V12 D13 V17 R18 E19T11-G15 PolarHBondContact O-N 2.88Å; V12-G15 WeakPolarHBondContact O-CA 3.48Å; V12-G15 PolarHBondContact O-N 3.11Å; V12-G15 VanDerWaalsContact O-N 3.11Å; D13-G15 VanDerWaalsContact C-N 3.34Å; G15-V17 VanDerWaalsContact C-N 3.32Å; G15-V17 PolarHBondContact O-N 3.38Å; G15-R18 WeakPolarHBondContact O-CA 3.5Å; G15-R18 WeakPolarHBondContact O-CB 3.38Å; G15-R18 PolarHBondContact O-N 3.08Å; G15-E19 WeakPolarHBondContact O-CG 3.29Å; G15-E19 PolarHBondContact O-N 2.71Å
16R80.8Confident73.2Confident114 Ų11487 Ų8743%0.4348%0.484SS..Hα-helixtrans-57.4-39.3179.9-168-170-58.5-76.54.7113.3V12 D13 R20V12-R16 PolarHBondContact O-N 3.15Å; D13-R16 PolarHBondContact O-N 2.75Å; D13-R16 IonicContact OD1-NE 2.77Å; R16-R20 WeakPolarHBondContact O-CB 3.44Å; R16-R20 VanDerWaalsContact O-CG 3.31Å; R16-R20 WeakPolarHBondContact O-CG 3.43Å; R16-R20 PolarHBondContact O-N 3.3Å
17V83.1Confident75.3Confident90 Ų9084.1 Ų84.155%0.54545%0.454SS..Hα-helixtrans-68.1-39.8175.9167.90000111.2D13 G15 R20 L21D13-V17 WeakPolarHBondContact O-CB 3.43Å; D13-V17 VanDerWaalsContact O-CG2 3.27Å; D13-V17 WeakPolarHBondContact O-CG2 3.34Å; D13-V17 PolarHBondContact O-N 3.04Å; G15-V17 VanDerWaalsContact C-N 3.32Å; G15-V17 PolarHBondContact O-N 3.38Å; V17-R20 PolarHBondContact O-N 2.97Å; V17-L21 WeakPolarHBondContact O-CB 3.36Å; V17-L21 PolarHBondContact O-N 3.43Å
18R83.6Confident77.2Confident191 Ų19183.5 Ų83.572%0.72144%0.442SS*.Hα-helixtrans-64.2-42.1174.7-174.6-177.3-178.5-173.81.4111.9R14 G15 L21 Q22R14-R18 WeakPolarHBondContact O-CB 3.3Å; R14-R18 PolarHBondContact O-N 2.79Å; R14-R18 VanDerWaalsContact O-N 3.14Å; G15-R18 WeakPolarHBondContact O-CA 3.5Å; G15-R18 WeakPolarHBondContact O-CB 3.38Å; G15-R18 PolarHBondContact O-N 3.08Å; R18-L21 PolarHBondContact O-N 2.83Å; R18-Q22 WeakPolarHBondContact O-CB 3.39Å; R18-Q22 PolarHBondContact O-N 3.27Å
19E82.9Confident79Confident126 Ų12683.2 Ų83.259%0.58943%0.43SS*.Hα-helixtrans-64.3-45.4176.8-70.8165.4168.300111.6G15 L21 Q22 A23G15-E19 WeakPolarHBondContact O-CG 3.29Å; G15-E19 PolarHBondContact O-N 2.71Å; E19-L21 PolarHBondContact O-N 3.16Å; E19-Q22 PolarHBondContact O-N 2.77Å; E19-A23 WeakPolarHBondContact O-CB 3.39Å; E19-A23 PolarHBondContact O-N 3.1Å
20R83.9Confident80.8Confident103 Ų10381.7 Ų81.739%0.38941%0.413SS..Hα-helixtrans-59.9-42.1173.3-77.5171168.4164.2-4.2112.6R16 V17 A23 A24R16-R20 WeakPolarHBondContact O-CB 3.44Å; R16-R20 VanDerWaalsContact O-CG 3.31Å; R16-R20 WeakPolarHBondContact O-CG 3.43Å; R16-R20 PolarHBondContact O-N 3.3Å; V17-R20 PolarHBondContact O-N 2.97Å; R20-A23 PolarHBondContact O-N 3.1Å; R20-A24 WeakPolarHBondContact O-CB 3.33Å; R20-A24 PolarHBondContact O-N 3.33Å
21L90.6Very high82.7Confident105 Ų10583.4 Ų83.455%0.5541%0.412SS..Hα-helixtrans-63.8-41175.1-179.761.4000111.5V17 R18 E19 A24 L25V17-L21 WeakPolarHBondContact O-CB 3.36Å; V17-L21 PolarHBondContact O-N 3.43Å; R18-L21 PolarHBondContact O-N 2.83Å; E19-L21 PolarHBondContact O-N 3.16Å; L21-A24 PolarHBondContact O-N 3.26Å; L21-L25 HydrophobicContact CD1-CD1 4.39Å; L21-L25 HydrophobicContact CD1-CG 4.43Å; L21-L25 HydrophobicContact CG-CD1 4.21Å; L21-L25 WeakPolarHBondContact O-CB 3.18Å; L21-L25 VanDerWaalsContact O-CG 3.29Å; L21-L25 WeakPolarHBondContact O-CG 3.43Å; L21-L25 PolarHBondContact O-N 3.24Å
22Q89.9Confident84.4Confident82 Ų8285.8 Ų85.838%0.38341%0.41SS..Hα-helixtrans-65.6-41.3176.1-172174.7-6.100112R18 E19 L25 A26 F257R18-Q22 WeakPolarHBondContact O-CB 3.39Å; R18-Q22 PolarHBondContact O-N 3.27Å; E19-Q22 PolarHBondContact O-N 2.77Å; Q22-L25 PolarHBondContact O-N 2.93Å; Q22-A26 WeakPolarHBondContact O-CB 3.42Å; Q22-A26 PolarHBondContact O-N 3.15Å; Q22-F257 HydrophobicContact CG-CE2 4.18Å
23A83.2Confident85.9Confident4 Ų486.6 Ų86.63%0.03341%0.411CS..Hα-helixtrans-65.1-40.3174.500000112.3E19 R20 A26 G27 F257 L281E19-A23 WeakPolarHBondContact O-CB 3.39Å; E19-A23 PolarHBondContact O-N 3.1Å; R20-A23 PolarHBondContact O-N 3.1Å; A23-A26 PolarHBondContact O-N 2.97Å; A23-G27 PolarHBondContact O-N 3.43Å; A23-F257 HydrophobicContact CB-CE1 4.31Å; A23-F257 HydrophobicContact CB-CZ 4.47Å; A23-L281 HydrophobicContact CB-CB 4.1Å; A23-L281 HydrophobicContact CB-CD1 4.2Å
24A89.8Confident87.2Confident29 Ų2984.3 Ų84.324%0.2440%0.398CS..Hα-helixtrans-64.2-41.2174.500000112.1R20 L21 G27 L28R20-A24 WeakPolarHBondContact O-CB 3.33Å; R20-A24 PolarHBondContact O-N 3.33Å; L21-A24 PolarHBondContact O-N 3.26Å; A24-G27 PolarHBondContact O-N 3.41Å; A24-L28 WeakPolarHBondContact O-CG 3.47Å; A24-L28 PolarHBondContact O-N 2.91Å
25L90.6Very high88.2Confident93 Ų9381.8 Ų81.849%0.48739%0.389SS..Hα-helixtrans-66.4-39.6175.4-72.7170.3000112.3L21 Q22 L28 Q29L21-L25 HydrophobicContact CD1-CD1 4.39Å; L21-L25 HydrophobicContact CD1-CG 4.43Å; L21-L25 HydrophobicContact CG-CD1 4.21Å; L21-L25 WeakPolarHBondContact O-CB 3.18Å; L21-L25 VanDerWaalsContact O-CG 3.29Å; L21-L25 WeakPolarHBondContact O-CG 3.43Å; L21-L25 PolarHBondContact O-N 3.24Å; Q22-L25 PolarHBondContact O-N 2.93Å; L25-L28 PolarHBondContact O-N 2.8Å; L25-Q29 WeakPolarHBondContact O-CG 3.43Å; L25-Q29 PolarHBondContact O-N 2.94Å
26A87.1Confident89.1Confident16 Ų1684 Ų8413%0.13239%0.393CS..Hα-helixtrans-62-46172.500000111.3Q22 A23 L28 Q29 E30 V253 F257Q22-A26 WeakPolarHBondContact O-CB 3.42Å; Q22-A26 PolarHBondContact O-N 3.15Å; A23-A26 PolarHBondContact O-N 2.97Å; A26-L28 PolarHBondContact O-N 3.05Å; A26-Q29 WeakPolarHBondContact O-CB 3.37Å; A26-Q29 PolarHBondContact O-N 3.02Å; A26-E30 PolarHBondContact O-N 3.39Å; A26-V253 HydrophobicContact CB-CG1 4.21Å; A26-F257 HydrophobicContact CB-CD2 4.35Å
27G90.6Very high89.8Confident3 Ų386.8 Ų86.83%0.03140%0.404CS..Hα-helixtrans-59.7-40.1175.600000114.2A23 A24 Q29 E30 L31A23-G27 PolarHBondContact O-N 3.43Å; A24-G27 PolarHBondContact O-N 3.41Å; G27-Q29 VanDerWaalsContact C-N 3.25Å; G27-Q29 PolarHBondContact O-N 2.82Å; G27-E30 PolarHBondContact O-N 3.3Å; G27-L31 WeakPolarHBondContact O-CB 3.47Å; G27-L31 VanDerWaalsContact O-CG 3.27Å; G27-L31 WeakPolarHBondContact O-CG 3.42Å; G27-L31 PolarHBondContact O-N 3.36Å
28L92.5Very high90.4Very high92 Ų9287.7 Ų87.748%0.48240%0.402SS..Hα-helixtrans-67.9-23.9175-72.7171.2000113.1A24 L25 A26 R32A24-L28 WeakPolarHBondContact O-CG 3.47Å; A24-L28 PolarHBondContact O-N 2.91Å; L25-L28 PolarHBondContact O-N 2.8Å; A26-L28 PolarHBondContact O-N 3.05Å; L28-R32 VanDerWaalsContact O-CD 3.29Å; L28-R32 WeakPolarHBondContact O-CD 3.43Å; L28-R32 VanDerWaalsContact O-CG 3.23Å; L28-R32 WeakPolarHBondContact O-CG 3.48Å; L28-R32 PolarHBondContact O-N 2.89Å
29Q90.8Very high91.1Very high90 Ų9080.5 Ų80.542%0.42139%0.387SS..Hα-helixtrans-78.4-43.5171-68176.515.900111.3L25 A26 G27 R32 L33L25-Q29 WeakPolarHBondContact O-CG 3.43Å; L25-Q29 PolarHBondContact O-N 2.94Å; A26-Q29 WeakPolarHBondContact O-CB 3.37Å; A26-Q29 PolarHBondContact O-N 3.02Å; G27-Q29 VanDerWaalsContact C-N 3.25Å; G27-Q29 PolarHBondContact O-N 2.82Å; Q29-R32 PolarHBondContact O-N 2.85Å; Q29-L33 PolarHBondContact O-N 3.38Å; Q29-L33 VanDerWaalsContact O-N 3.09Å
30E90.6Very high91.7Very high27 Ų2779.1 Ų79.113%0.12638%0.384CS..Hα-helixtrans-61.9-45.6175.5-176.3176.4-168.700112A26 G27 R32 L33 L34 Y272A26-E30 PolarHBondContact O-N 3.39Å; G27-E30 PolarHBondContact O-N 3.3Å; E30-R32 VanDerWaalsContact C-N 3.26Å; E30-R32 PolarHBondContact O-N 3.49Å; E30-L33 PolarHBondContact O-N 2.93Å; E30-L33 VanDerWaalsContact O-N 3.15Å; E30-L34 HydrophobicContact CG-CD1 3.99Å; E30-L34 HydrophobicContact CG-CG 4.31Å; E30-L34 WeakPolarHBondContact O-CG 3.43Å; E30-L34 PolarHBondContact O-N 3.44Å; E30-Y272 VanDerWaalsContact OE1-CE2 3.26Å; E30-Y272 WeakPolarHBondContact OE1-CE2 3.4Å
31L93Very high92.2Very high79 Ų7979.7 Ų79.741%0.41439%0.393SS..Hα-helixtrans-63.4-30.2177.9-72.6171.6000112.9G27 R35 P275G27-L31 WeakPolarHBondContact O-CB 3.47Å; G27-L31 VanDerWaalsContact O-CG 3.27Å; G27-L31 WeakPolarHBondContact O-CG 3.42Å; G27-L31 PolarHBondContact O-N 3.36Å; L31-R35 VanDerWaalsContact O-CB 3.24Å; L31-R35 WeakPolarHBondContact O-CB 3.35Å; L31-R35 PolarHBondContact O-N 2.93Å; L31-P275 HydrophobicContact CD2-CB 4.02Å
32R93.1Very high92.5Very high146 Ų14677.8 Ų77.855%0.55139%0.385SS*.Hα-helixtrans-67.6-51.1170.7-73.4167.2-174.1-176.30.6110.4L28 Q29 E30 L34 R35 D36L28-R32 VanDerWaalsContact O-CD 3.29Å; L28-R32 WeakPolarHBondContact O-CD 3.43Å; L28-R32 VanDerWaalsContact O-CG 3.23Å; L28-R32 WeakPolarHBondContact O-CG 3.48Å; L28-R32 PolarHBondContact O-N 2.89Å; Q29-R32 PolarHBondContact O-N 2.85Å; E30-R32 VanDerWaalsContact C-N 3.26Å; E30-R32 PolarHBondContact O-N 3.49Å; R32-L34 VanDerWaalsContact C-N 3.3Å; R32-L34 PolarHBondContact O-N 2.92Å; R32-R35 WeakPolarHBondContact O-CB 3.34Å; R32-R35 PolarHBondContact O-N 3.15Å; R32-R35 VanDerWaalsContact O-N 3.16Å; R32-D36 WeakPolarHBondContact O-CB 3.29Å; R32-D36 PolarHBondContact O-N 3.27Å
33L92.1Very high92.7Very high104 Ų10477.2 Ų77.255%0.54539%0.39SS..Hα-helixtrans-57.8-41177.6-175.7152.9000112.5Q29 E30 D36 R37Q29-L33 PolarHBondContact O-N 3.38Å; Q29-L33 VanDerWaalsContact O-N 3.09Å; E30-L33 PolarHBondContact O-N 2.93Å; E30-L33 VanDerWaalsContact O-N 3.15Å; L33-D36 PolarHBondContact O-N 3.43Å; L33-R37 WeakPolarHBondContact O-CB 3.5Å; L33-R37 PolarHBondContact O-N 3.07Å
34L92.4Very high93.1Very high42 Ų4284.8 Ų84.822%0.2242%0.418CS..Hα-helixtrans-69.3-39.5176.8-69.6176.1000112.5E30 R32 H38 P275E30-L34 HydrophobicContact CG-CD1 3.99Å; E30-L34 HydrophobicContact CG-CG 4.31Å; E30-L34 WeakPolarHBondContact O-CG 3.43Å; E30-L34 PolarHBondContact O-N 3.44Å; R32-L34 VanDerWaalsContact C-N 3.3Å; R32-L34 PolarHBondContact O-N 2.92Å; L34-H38 VanDerWaalsContact O-CB 3.3Å; L34-H38 WeakPolarHBondContact O-CB 3.36Å; L34-H38 PolarHBondContact O-N 2.96Å; L34-P275 HydrophobicContact CD1-CG 4.17Å
35R95.7Very high93.2Very high153 Ų15385.9 Ų85.958%0.57743%0.427SS*.Hα-helixtrans-61.6-45.2171.5175.5-157.466-175.6-3110.8L31 R32 H38 G39L31-R35 VanDerWaalsContact O-CB 3.24Å; L31-R35 WeakPolarHBondContact O-CB 3.35Å; L31-R35 PolarHBondContact O-N 2.93Å; R32-R35 WeakPolarHBondContact O-CB 3.34Å; R32-R35 PolarHBondContact O-N 3.15Å; R32-R35 VanDerWaalsContact O-N 3.16Å; R35-H38 PolarHBondContact O-N 3.4Å; R35-G39 PolarHBondContact O-N 3.13Å
36D95.5Very high93.2Very high74 Ų7486.2 Ų86.240%0.39643%0.429SS..Hα-helixtrans-68.2-46.4-175-61.6-16.4000109.8R32 L33 H38 G39 D40R32-D36 WeakPolarHBondContact O-CB 3.29Å; R32-D36 PolarHBondContact O-N 3.27Å; L33-D36 PolarHBondContact O-N 3.43Å; D36-H38 VanDerWaalsContact C-N 3.28Å; D36-H38 PolarHBondContact O-N 2.94Å; D36-G39 CarbonylContact O-C 3.55Å; D36-G39 WeakPolarHBondContact O-CA 3.4Å; D36-G39 PolarHBondContact O-N 3.08Å; D36-D40 PolarHBondContact O-N 2.93Å
37R95.4Very high93.2Very high173 Ų17390.6 Ų90.665%0.65345%0.447SS*.Hα-helixtrans-59.7-34.4171-175.6-178.6178.1-151.1-2.8113.3L33 M41L33-R37 WeakPolarHBondContact O-CB 3.5Å; L33-R37 PolarHBondContact O-N 3.07Å; R37-M41 WeakPolarHBondContact O-CB 3.37Å; R37-M41 PolarHBondContact O-N 3.23Å
38H95.9Very high92.5Very high109 Ų10995 Ų9551%0.50547%0.469SS..Hα-helixtrans-71.8-36.7174.3-172.3-162.6000111.3L34 R35 D36 M41 V42L34-H38 VanDerWaalsContact O-CB 3.3Å; L34-H38 WeakPolarHBondContact O-CB 3.36Å; L34-H38 PolarHBondContact O-N 2.96Å; R35-H38 PolarHBondContact O-N 3.4Å; D36-H38 VanDerWaalsContact C-N 3.28Å; D36-H38 PolarHBondContact O-N 2.94Å; H38-M41 PolarHBondContact O-N 3.3Å; H38-V42 WeakPolarHBondContact O-CB 3.39Å; H38-V42 WeakPolarHBondContact O-CG2 3.44Å; H38-V42 PolarHBondContact O-N 2.85Å
39G96.6Very high91.3Very high40 Ų4097.5 Ų97.541%0.41248%0.483SS..Hα-helixtrans-59.3-47.6169.600000111.9R35 D36 M41 V42 S43R35-G39 PolarHBondContact O-N 3.13Å; D36-G39 CarbonylContact O-C 3.55Å; D36-G39 WeakPolarHBondContact O-CA 3.4Å; D36-G39 PolarHBondContact O-N 3.08Å; G39-M41 PolarHBondContact O-N 3.2Å; G39-V42 PolarHBondContact O-N 3.12Å; G39-S43 WeakPolarHBondContact O-CB 3.2Å; G39-S43 PolarHBondContact O-N 3.3Å; G39-S43 PolarHBondContact O-OG 3.12Å
40D96.1Very high90.1Very high98 Ų98103.6 Ų103.652%0.52450%0.502SS..Hα-helixtrans-56.4-51.4174.2-61.8-27.1000110.6D36 V42 S43 W44D36-D40 PolarHBondContact O-N 2.93Å; D40-V42 PolarHBondContact O-N 2.97Å; D40-S43 PolarHBondContact O-N 3.05Å; D40-S43 PolarHBondContact O-OG 3.32Å; D40-W44 WeakPolarHBondContact O-CB 3.38Å; D40-W44 PolarHBondContact O-N 3.03Å
41M95.8Very high88.4Confident115 Ų115108 Ų10857%0.56752%0.522SS*.Hα-helixtrans-62.6-38.6-179.6-174174.968.100113.1R37 H38 G39 A45R37-M41 WeakPolarHBondContact O-CB 3.37Å; R37-M41 PolarHBondContact O-N 3.23Å; H38-M41 PolarHBondContact O-N 3.3Å; G39-M41 PolarHBondContact O-N 3.2Å; M41-A45 WeakPolarHBondContact O-CB 3.35Å; M41-A45 PolarHBondContact O-N 2.9Å
42V95.6Very high86.1Confident65 Ų65112.5 Ų112.539%0.39454%0.541SS..Hα-helixtrans-70.6-39.1174.5167.70000111H38 G39 D40 W44 A45 L46H38-V42 WeakPolarHBondContact O-CB 3.39Å; H38-V42 WeakPolarHBondContact O-CG2 3.44Å; H38-V42 PolarHBondContact O-N 2.85Å; G39-V42 PolarHBondContact O-N 3.12Å; D40-V42 PolarHBondContact O-N 2.97Å; V42-W44 VanDerWaalsContact C-N 3.34Å; V42-A45 PolarHBondContact O-N 2.86Å; V42-L46 HydrophobicContact CG1-CD1 3.75Å; V42-L46 HydrophobicContact CG1-CG 4.25Å; V42-L46 WeakPolarHBondContact O-CB 3.21Å; V42-L46 VanDerWaalsContact O-CG 3.26Å; V42-L46 WeakPolarHBondContact O-CG 3.45Å; V42-L46 PolarHBondContact O-N 3.36Å
43S94.1Very high84.1Confident69 Ų69111.2 Ų111.248%0.48355%0.552SS.*Hα-helixtrans-64.9-39.3176.574.10000111.9G39 D40 L46 Q47G39-S43 WeakPolarHBondContact O-CB 3.2Å; G39-S43 PolarHBondContact O-N 3.3Å; G39-S43 PolarHBondContact O-OG 3.12Å; D40-S43 PolarHBondContact O-N 3.05Å; D40-S43 PolarHBondContact O-OG 3.32Å; S43-L46 PolarHBondContact O-N 3.36Å; S43-Q47 WeakPolarHBondContact O-CB 3.28Å; S43-Q47 PolarHBondContact O-N 3.02Å
44W92.8Very high81.5Confident163 Ų163112.6 Ų112.662%0.61756%0.564SS**Hα-helixtrans-66.2-44.6174-178.372.9000111.8D40 V42 L46 Q47 L48D40-W44 WeakPolarHBondContact O-CB 3.38Å; D40-W44 PolarHBondContact O-N 3.03Å; V42-W44 VanDerWaalsContact C-N 3.34Å; W44-L46 PolarHBondContact O-N 3.27Å; W44-Q47 PolarHBondContact O-N 2.83Å; W44-Q47 VanDerWaalsContact O-N 3.15Å; W44-L48 HydrophobicContact CD2-CD1 4.03Å; W44-L48 HydrophobicContact CE3-CD1 4Å; W44-L48 HydrophobicContact CH2-CD1 3.64Å; W44-L48 HydrophobicContact CZ2-CD1 3.65Å; W44-L48 HydrophobicContact CZ2-CG 4.49Å; W44-L48 HydrophobicContact CZ3-CD1 3.81Å; W44-L48 PolarHBondContact O-N 3.49Å
45A90.6Very high79.5Confident52 Ų52116.4 Ų116.443%0.4359%0.594SS.*Hα-helixtrans-62.4-4217500000112.5M41 V42 Q47 L48 D49M41-A45 WeakPolarHBondContact O-CB 3.35Å; M41-A45 PolarHBondContact O-N 2.9Å; V42-A45 PolarHBondContact O-N 2.86Å; A45-Q47 VanDerWaalsContact C-N 3.26Å; A45-Q47 PolarHBondContact O-N 3.38Å; A45-L48 PolarHBondContact O-N 2.91Å; A45-D49 WeakPolarHBondContact O-CB 3.34Å; A45-D49 PolarHBondContact O-N 3.39Å
46L90.3Very high77Confident101 Ų101113.2 Ų113.253%0.52960%0.601SS.*Hα-helixtrans-71.2-18.3175.1-71.1172.7000113.6V42 S43 W44 R50V42-L46 HydrophobicContact CG1-CD1 3.75Å; V42-L46 HydrophobicContact CG1-CG 4.25Å; V42-L46 WeakPolarHBondContact O-CB 3.21Å; V42-L46 VanDerWaalsContact O-CG 3.26Å; V42-L46 WeakPolarHBondContact O-CG 3.45Å; V42-L46 PolarHBondContact O-N 3.36Å; S43-L46 PolarHBondContact O-N 3.36Å; W44-L46 PolarHBondContact O-N 3.27Å; L46-R50 WeakPolarHBondContact O-CG 3.33Å
47Q88.1Confident74.8Confident108 Ų108118 Ų11851%0.50563%0.626SS.*Hα-helixtrans-79.9-46.7168.8-173.9166.5-000110.2S43 W44 A45 D49 R50 E51S43-Q47 WeakPolarHBondContact O-CB 3.28Å; S43-Q47 PolarHBondContact O-N 3.02Å; W44-Q47 PolarHBondContact O-N 2.83Å; W44-Q47 VanDerWaalsContact O-N 3.15Å; A45-Q47 VanDerWaalsContact C-N 3.26Å; A45-Q47 PolarHBondContact O-N 3.38Å; Q47-D49 VanDerWaalsContact C-N 3.28Å; Q47-D49 PolarHBondContact O-N 2.89Å; Q47-R50 CarbonylContact O-C 3.52Å; Q47-R50 WeakPolarHBondContact O-CA 3.48Å; Q47-R50 WeakPolarHBondContact O-CB 3.46Å; Q47-R50 PolarHBondContact O-N 3.36Å; Q47-E51 HydrophobicContact CG-CG 3.91Å; Q47-E51 PolarHBondContact NE2-OE1 2.96Å; Q47-E51 WeakPolarHBondContact O-CG 3.47Å; Q47-E51 PolarHBondContact O-N 2.88Å
48L75.3Confident72.2Confident96 Ų96117.1 Ų117.150%0.50363%0.629SS.*Hα-helixtrans-57.2-40173.6-68.6178.2000112.6W44 A45 R50 E51W44-L48 HydrophobicContact CD2-CD1 4.03Å; W44-L48 HydrophobicContact CE3-CD1 4Å; W44-L48 HydrophobicContact CH2-CD1 3.64Å; W44-L48 HydrophobicContact CZ2-CD1 3.65Å; W44-L48 HydrophobicContact CZ2-CG 4.49Å; W44-L48 HydrophobicContact CZ3-CD1 3.81Å; W44-L48 PolarHBondContact O-N 3.49Å; A45-L48 PolarHBondContact O-N 2.91Å; L48-R50 PolarHBondContact O-N 3.26Å; L48-R50 VanDerWaalsContact O-N 3.12Å; L48-E51 PolarHBondContact O-N 3.45Å; L48-E51 VanDerWaalsContact O-N 3.15Å
49D68.4Low70.1Confident143 Ų143116.8 Ų116.877%0.76564%0.644SS**THydrogen-bonded Turntrans-70.2-0.1175-153.851.8000113.4A45 Q47A45-D49 WeakPolarHBondContact O-CB 3.34Å; A45-D49 PolarHBondContact O-N 3.39Å; Q47-D49 VanDerWaalsContact C-N 3.28Å; Q47-D49 PolarHBondContact O-N 2.89Å
50R64.6Low67.7Low219 Ų219119.1 Ų119.183%0.82665%0.648SS**THydrogen-bonded Turntrans-114.4-18.8170.5-76.1177.2166.1-121.9-3113.7L46 Q47 L48 E52L46-R50 WeakPolarHBondContact O-CG 3.33Å; Q47-R50 CarbonylContact O-C 3.52Å; Q47-R50 WeakPolarHBondContact O-CA 3.48Å; Q47-R50 WeakPolarHBondContact O-CB 3.46Å; Q47-R50 PolarHBondContact O-N 3.36Å; L48-R50 PolarHBondContact O-N 3.26Å; L48-R50 VanDerWaalsContact O-N 3.12Å; R50-E52 PolarHBondContact O-N 3.5Å
51E56.3Low66.1Low118 Ų118119 Ų11955%0.55165%0.652SS**  trans-91.347.4-178.8-57.1-91.6-17700110.2Q47 L48Q47-E51 HydrophobicContact CG-CG 3.91Å; Q47-E51 PolarHBondContact NE2-OE1 2.96Å; Q47-E51 WeakPolarHBondContact O-CG 3.47Å; Q47-E51 PolarHBondContact O-N 2.88Å; L48-E51 PolarHBondContact O-N 3.45Å; L48-E51 VanDerWaalsContact O-N 3.15Å
52E44.5Very low64.3Low175 Ų175120.9 Ų120.982%0.81866%0.659SS**SBendtrans-65.9141.9155-112.6-167.1136.200108.1R50 V54R50-E52 PolarHBondContact O-N 3.5Å; E52-V54 PolarHBondContact O-N 3.48Å
53P49.5Very low62.9Low118 Ų118123.2 Ų123.277%0.76667%0.666SS**  trans-74.3117.9-138.724.3-35.6000114.7
54V39.3Very low62.1Low134 Ų134122.9 Ų122.981%0.81267%0.667SS**  trans-104.7112.4160.6-178.90000108.8E52 A56E52-V54 PolarHBondContact O-N 3.48Å; V54-A56 PolarHBondContact O-N 2.9Å
55S49.1Very low61.5Low121 Ų121119.7 Ų119.785%0.84666%0.659SS**  trans-60.8117.2-167.9-44.80000114.3
56A44Very low61.4Low87 Ų87123.3 Ų123.372%0.71967%0.667SS**  trans-152.788.917100000114.3V54 H58V54-A56 PolarHBondContact O-N 2.9Å; A56-H58 PolarHBondContact O-N 2.9Å
57L48.3Very low61.5Low175 Ų175124.4 Ų124.492%0.91667%0.67SS**  trans47.766.3146.9-69166.2000118.1
58H41.7Very low61.7Low154 Ų154125.4 Ų125.471%0.71367%0.669SS**  trans-130.7121147.8-104.6-97.3000109.6A56 D60A56-H58 PolarHBondContact O-N 2.9Å; H58-D60 VanDerWaalsContact C-N 3.26Å; H58-D60 PolarHBondContact O-N 3.14Å; H58-D60 VanDerWaalsContact O-N 3.1Å
59A50.9Low62.7Low101 Ų101125.7 Ų125.784%0.83567%0.67SS**  trans-83.575.7172.800000108.3
60D46.9Very low64Low90 Ų90124.7 Ų124.748%0.48166%0.661SS.*  trans-74.8147.3-178.1-94.2-49.8000112H58 E62 E63H58-D60 VanDerWaalsContact C-N 3.26Å; H58-D60 PolarHBondContact O-N 3.14Å; H58-D60 VanDerWaalsContact O-N 3.1Å; D60-E62 PolarHBondContact O-N 3.32Å; D60-E62 VanDerWaalsContact O-N 3.12Å; D60-E63 PolarHBondContact O-N 2.85Å
61P62.4Low65.4Low94 Ų94117 Ų11761%0.6164%0.644SS**Hα-helixtrans-65.1-14.8178.128.8-35.2000112.9A64 E65P61-A64 PolarHBondContact O-N 2.8Å; P61-E65 WeakPolarHBondContact O-CG 3.46Å; P61-E65 PolarHBondContact O-N 3.41Å
62E57.7Low67.3Low156 Ų156115 Ų11573%0.72964%0.641SS**Hα-helixtrans-68-33.9176.2-58.8-15716500112.4D60 A64 E65 E66D60-E62 PolarHBondContact O-N 3.32Å; D60-E62 VanDerWaalsContact O-N 3.12Å; E62-A64 VanDerWaalsContact C-N 3.25Å; E62-A64 PolarHBondContact O-N 3.27Å; E62-E65 PolarHBondContact O-N 2.89Å; E62-E66 WeakPolarHBondContact O-CB 3.38Å; E62-E66 PolarHBondContact O-N 3.24Å
63E65.7Low69.8Low114 Ų114111 Ų11153%0.53362%0.624SS.*Hα-helixtrans-61.3-36.4172.1-70-167.3158.600111.5D60 Q67D60-E63 PolarHBondContact O-N 2.85Å; E63-Q67 WeakPolarHBondContact O-CB 3.49Å; E63-Q67 WeakPolarHBondContact O-CG 3.47Å; E63-Q67 PolarHBondContact O-N 3.3Å
64A77.1Confident72Confident62 Ų62108.7 Ų108.751%0.51261%0.608SS.*Hα-helixtrans-74.5-33.9178.100000112.5P61 E62 R68P61-A64 PolarHBondContact O-N 2.8Å; E62-A64 VanDerWaalsContact C-N 3.25Å; E62-A64 PolarHBondContact O-N 3.27Å; A64-R68 WeakPolarHBondContact O-CB 3.48Å; A64-R68 PolarHBondContact O-N 2.78Å; A64-R68 VanDerWaalsContact O-N 3.15Å
65E81.4Confident74.8Confident96 Ų96104.5 Ų104.545%0.44959%0.587SS.*Hα-helixtrans-68-40.2171-68.5-104.5124.300111.2P61 E62 R68 L69P61-E65 WeakPolarHBondContact O-CG 3.46Å; P61-E65 PolarHBondContact O-N 3.41Å; E62-E65 PolarHBondContact O-N 2.89Å; E65-R68 WeakPolarHBondContact O-CB 3.49Å; E65-R68 PolarHBondContact O-N 3.23Å; E65-R68 IonicContact OE1-CZ 2.92Å; E65-R68 IonicContact OE1-NH1 2.67Å; E65-R68 PolarHBondContact OE1-NH1 2.97Å; E65-R68 IonicContact OE1-NH2 3.2Å; E65-R68 PolarHBondContact OE1-NH2 2.9Å; E65-R68 IonicContact OE2-CZ 2.66Å; E65-R68 IonicContact OE2-NH2 3.79Å; E65-R68 PolarHBondContact OE2-NH2 3.44Å; E65-L69 VanDerWaalsContact O-CG 3.31Å; E65-L69 WeakPolarHBondContact O-CG 3.14Å; E65-L69 PolarHBondContact O-N 3.36Å
66E87.4Confident77.1Confident128 Ų128103.4 Ų103.460%0.59857%0.571SS**Hα-helixtrans-66.6-49.9177-175.3164.4-138.300111.6E62 R68 L69 E70E62-E66 WeakPolarHBondContact O-CB 3.38Å; E62-E66 PolarHBondContact O-N 3.24Å; E66-R68 PolarHBondContact O-N 3.05Å; E66-L69 CarbonylContact O-C 3.54Å; E66-L69 WeakPolarHBondContact O-CA 3.31Å; E66-L69 WeakPolarHBondContact O-CB 3.36Å; E66-L69 PolarHBondContact O-N 2.86Å; E66-E70 PolarHBondContact O-N 3.36Å
67Q91.9Very high79.6Confident123 Ų123105.6 Ų105.658%0.57557%0.565SS**Hα-helixtrans-56.8-37.5174.1-72.8168.431.200112.2E63 A71E63-Q67 WeakPolarHBondContact O-CB 3.49Å; E63-Q67 WeakPolarHBondContact O-CG 3.47Å; E63-Q67 PolarHBondContact O-N 3.3Å; Q67-A71 WeakPolarHBondContact O-CB 3.4Å; Q67-A71 PolarHBondContact O-N 2.63Å
68R93.9Very high81.9Confident129 Ų129102.3 Ų102.349%0.48755%0.545SS..Hα-helixtrans-64.8-42.8172.6-177.7-170.168.5-164-5.7111.4A64 E65 E66 A71 T72A64-R68 WeakPolarHBondContact O-CB 3.48Å; A64-R68 PolarHBondContact O-N 2.78Å; A64-R68 VanDerWaalsContact O-N 3.15Å; E65-R68 WeakPolarHBondContact O-CB 3.49Å; E65-R68 PolarHBondContact O-N 3.23Å; E65-R68 IonicContact OE1-CZ 2.92Å; E65-R68 IonicContact OE1-NH1 2.67Å; E65-R68 PolarHBondContact OE1-NH1 2.97Å; E65-R68 IonicContact OE1-NH2 3.2Å; E65-R68 PolarHBondContact OE1-NH2 2.9Å; E65-R68 IonicContact OE2-CZ 2.66Å; E65-R68 IonicContact OE2-NH2 3.79Å; E65-R68 PolarHBondContact OE2-NH2 3.44Å; E66-R68 PolarHBondContact O-N 3.05Å; R68-A71 PolarHBondContact O-N 3.22Å; R68-T72 WeakPolarHBondContact O-CG2 3.42Å; R68-T72 PolarHBondContact O-N 3.29Å
69L95.5Very high84.5Confident102 Ų102100.8 Ų100.853%0.53454%0.538SS..Hα-helixtrans-65-44.9176.7-72.5168.6000111.3E65 E66 A71 T72 L73E65-L69 VanDerWaalsContact O-CG 3.31Å; E65-L69 WeakPolarHBondContact O-CG 3.14Å; E65-L69 PolarHBondContact O-N 3.36Å; E66-L69 CarbonylContact O-C 3.54Å; E66-L69 WeakPolarHBondContact O-CA 3.31Å; E66-L69 WeakPolarHBondContact O-CB 3.36Å; E66-L69 PolarHBondContact O-N 2.86Å; L69-A71 VanDerWaalsContact C-N 3.32Å; L69-A71 PolarHBondContact O-N 3.25Å; L69-T72 PolarHBondContact O-N 3.39Å; L69-T72 VanDerWaalsContact O-N 3.13Å; L69-T72 PolarHBondContact O-OG1 2.82Å; L69-L73 WeakPolarHBondContact O-CB 3.4Å; L69-L73 PolarHBondContact O-N 2.95Å
70E94.9Very high86.6Confident122 Ų12299.8 Ų99.857%0.5752%0.518SS*.Hα-helixtrans-57.4-42.4173-68.8-154.7124.300112.5E66 T72 L73 T74E66-E70 PolarHBondContact O-N 3.36Å; E70-T72 PolarHBondContact O-N 3.12Å; E70-L73 PolarHBondContact O-N 3.05Å; E70-T74 WeakPolarHBondContact O-CB 3.39Å; E70-T74 WeakPolarHBondContact O-CG2 3.47Å; E70-T74 PolarHBondContact O-N 2.78Å; E70-T74 PolarHBondContact O-OG1 2.91Å
71A94.6Very high88.8Confident58 Ų5898 Ų9848%0.47951%0.513SS..Hα-helixtrans-61-42.3174.600000112.1Q67 R68 L69 T74 A75Q67-A71 WeakPolarHBondContact O-CB 3.4Å; Q67-A71 PolarHBondContact O-N 2.63Å; R68-A71 PolarHBondContact O-N 3.22Å; L69-A71 VanDerWaalsContact C-N 3.32Å; L69-A71 PolarHBondContact O-N 3.25Å; A71-T74 WeakPolarHBondContact CA-OG1 3.21Å; A71-T74 PolarHBondContact O-OG1 3.22Å; A71-T74 VanDerWaalsContact O-OG1 3.05Å; A71-A75 WeakPolarHBondContact O-CB 3.21Å; A71-A75 PolarHBondContact O-N 3.05Å
72T96.3Very high90.2Very high77 Ų77101.7 Ų101.747%0.47252%0.515SS..Hα-helixtrans-68.8-3817563.70000112.9R68 L69 E70 A75 L76R68-T72 WeakPolarHBondContact O-CG2 3.42Å; R68-T72 PolarHBondContact O-N 3.29Å; L69-T72 PolarHBondContact O-N 3.39Å; L69-T72 VanDerWaalsContact O-N 3.13Å; L69-T72 PolarHBondContact O-OG1 2.82Å; E70-T72 PolarHBondContact O-N 3.12Å; T72-A75 PolarHBondContact O-N 2.94Å; T72-L76 WeakPolarHBondContact O-CB 3.46Å; T72-L76 PolarHBondContact O-N 3.15Å
73L97.7Very high91.8Very high89 Ų8998.4 Ų98.447%0.46650%0.502SS..Hα-helixtrans-68.3-42-179.7-157.7177.9000110.7L69 E70 L76 K77L69-L73 WeakPolarHBondContact O-CB 3.4Å; L69-L73 PolarHBondContact O-N 2.95Å; E70-L73 PolarHBondContact O-N 3.05Å; L73-L76 PolarHBondContact O-N 2.86Å; L73-K77 HydrophobicContact CD2-CD 3.66Å; L73-K77 HydrophobicContact CD2-CG 4.05Å; L73-K77 WeakPolarHBondContact O-CG 3.38Å; L73-K77 PolarHBondContact O-N 2.96Å
74T95.9Very high92.8Very high71 Ų71100.8 Ų100.844%0.43651%0.506SS..Hα-helixtrans-67.5-38.9173.952.10000112E70 A71 K77 Q78E70-T74 WeakPolarHBondContact O-CB 3.39Å; E70-T74 WeakPolarHBondContact O-CG2 3.47Å; E70-T74 PolarHBondContact O-N 2.78Å; E70-T74 PolarHBondContact O-OG1 2.91Å; A71-T74 WeakPolarHBondContact CA-OG1 3.21Å; A71-T74 PolarHBondContact O-OG1 3.22Å; A71-T74 VanDerWaalsContact O-OG1 3.05Å; T74-K77 PolarHBondContact O-N 3.12Å; T74-Q78 WeakPolarHBondContact O-CG 3.38Å; T74-Q78 PolarHBondContact O-N 3.13Å
75A96.8Very high93.2Very high45 Ų45105.6 Ų105.637%0.37252%0.515SS..Hα-helixtrans-60.8-44.6171.600000112.5A71 T72 Q78 Q79A71-A75 WeakPolarHBondContact O-CB 3.21Å; A71-A75 PolarHBondContact O-N 3.05Å; T72-A75 PolarHBondContact O-N 2.94Å; A75-Q78 WeakPolarHBondContact O-CB 3.23Å; A75-Q78 PolarHBondContact O-N 2.83Å; A75-Q78 VanDerWaalsContact O-N 3.15Å; A75-Q79 WeakPolarHBondContact O-CG 3.32Å; A75-Q79 PolarHBondContact O-N 2.94Å
76L97.7Very high93.4Very high98 Ų98107 Ų10751%0.51352%0.521SS..Hα-helixtrans-62.8-42.6174.7-99166.4000112.5T72 L73 Q78 Q79 L80T72-L76 WeakPolarHBondContact O-CB 3.46Å; T72-L76 PolarHBondContact O-N 3.15Å; L73-L76 PolarHBondContact O-N 2.86Å; L76-Q78 VanDerWaalsContact C-N 3.28Å; L76-Q78 PolarHBondContact O-N 2.89Å; L76-Q79 PolarHBondContact O-N 2.85Å; L76-L80 WeakPolarHBondContact O-CB 3.36Å; L76-L80 WeakPolarHBondContact O-CG 3.33Å; L76-L80 PolarHBondContact O-N 3.19Å
77K96.8Very high93.2Very high134 Ų134104.2 Ų104.258%0.58351%0.511SS*.Hα-helixtrans-57.1-42.1171.5-78.7168.3172.11660111.2L73 T74 S81L73-K77 HydrophobicContact CD2-CD 3.66Å; L73-K77 HydrophobicContact CD2-CG 4.05Å; L73-K77 WeakPolarHBondContact O-CG 3.38Å; L73-K77 PolarHBondContact O-N 2.96Å; T74-K77 PolarHBondContact O-N 3.12Å; K77-S81 WeakPolarHBondContact O-CB 3.26Å; K77-S81 PolarHBondContact O-N 2.65Å
78Q97Very high92.6Very high106 Ų106102.8 Ų102.850%0.49551%0.51SS..Hα-helixtrans-65-47.2175.5-71.9-17431.500112T74 A75 L76 L80 S81 R82T74-Q78 WeakPolarHBondContact O-CG 3.38Å; T74-Q78 PolarHBondContact O-N 3.13Å; A75-Q78 WeakPolarHBondContact O-CB 3.23Å; A75-Q78 PolarHBondContact O-N 2.83Å; A75-Q78 VanDerWaalsContact O-N 3.15Å; L76-Q78 VanDerWaalsContact C-N 3.28Å; L76-Q78 PolarHBondContact O-N 2.89Å; Q78-L80 PolarHBondContact O-N 3.17Å; Q78-S81 PolarHBondContact O-N 3.31Å; Q78-S81 VanDerWaalsContact O-N 3.07Å; Q78-S81 PolarHBondContact O-OG 2.83Å; Q78-R82 WeakPolarHBondContact O-CG 3.38Å; Q78-R82 PolarHBondContact O-N 2.94Å
79Q96.1Very high92.1Very high122 Ų12298.3 Ų98.357%0.5751%0.505SS*.Hα-helixtrans-56.8-48176.8-72.9174-40.500111.7A75 L76 S81 R82 L83A75-Q79 WeakPolarHBondContact O-CG 3.32Å; A75-Q79 PolarHBondContact O-N 2.94Å; L76-Q79 PolarHBondContact O-N 2.85Å; Q79-S81 VanDerWaalsContact C-N 3.25Å; Q79-S81 PolarHBondContact O-N 3.41Å; Q79-R82 PolarHBondContact O-N 2.77Å; Q79-R82 VanDerWaalsContact O-N 3.12Å; Q79-L83 PolarHBondContact O-N 3.49Å
80L95.8Very high91.8Very high80 Ų8098.5 Ų98.542%0.41951%0.506SS..Hα-helixtrans-64.7-25.6176.4-70.1172.5000113.5L76 Q78 R84L76-L80 WeakPolarHBondContact O-CB 3.36Å; L76-L80 WeakPolarHBondContact O-CG 3.33Å; L76-L80 PolarHBondContact O-N 3.19Å; Q78-L80 PolarHBondContact O-N 3.17Å; L80-R84 WeakPolarHBondContact O-CB 3.4Å; L80-R84 WeakPolarHBondContact O-CG 3.37Å; L80-R84 PolarHBondContact O-N 3.38Å
81S92.9Very high91.4Very high53 Ų5399.6 Ų99.637%0.37151%0.509SS..Hα-helixtrans-79.7-29.6172.875.60000113.1K77 Q78 Q79 K85K77-S81 WeakPolarHBondContact O-CB 3.26Å; K77-S81 PolarHBondContact O-N 2.65Å; Q78-S81 PolarHBondContact O-N 3.31Å; Q78-S81 VanDerWaalsContact O-N 3.07Å; Q78-S81 PolarHBondContact O-OG 2.83Å; Q79-S81 VanDerWaalsContact C-N 3.25Å; Q79-S81 PolarHBondContact O-N 3.41Å; S81-K85 VanDerWaalsContact O-CG 3.3Å; S81-K85 WeakPolarHBondContact O-CG 3.39Å; S81-K85 PolarHBondContact O-N 2.83Å
82R90.6Very high91.3Very high171 Ų171100.2 Ų100.265%0.64551%0.506SS*.Hα-helixtrans-70.2-46.7171.8-67.2176.3-166.4-168.46.1110.8Q78 Q79 K85 Q86Q78-R82 WeakPolarHBondContact O-CG 3.38Å; Q78-R82 PolarHBondContact O-N 2.94Å; Q79-R82 PolarHBondContact O-N 2.77Å; Q79-R82 VanDerWaalsContact O-N 3.12Å; R82-K85 WeakPolarHBondContact O-CB 3.33Å; R82-K85 PolarHBondContact O-N 2.9Å; R82-K85 VanDerWaalsContact O-N 3.13Å; R82-Q86 PolarHBondContact O-N 3.15Å; R82-Q86 VanDerWaalsContact O-N 3.08Å
83L92.1Very high91.1Very high87 Ų87101.8 Ų101.846%0.45551%0.508SS..Hα-helixtrans-57.7-51.6176.6-17660.7000111.2Q79 K85 Q86 D87Q79-L83 PolarHBondContact O-N 3.49Å; L83-K85 PolarHBondContact O-N 2.91Å; L83-K85 VanDerWaalsContact O-N 3.12Å; L83-Q86 CarbonylContact O-C 3.58Å; L83-Q86 WeakPolarHBondContact O-CA 3.3Å; L83-Q86 WeakPolarHBondContact O-CB 3.29Å; L83-Q86 PolarHBondContact O-N 3.47Å; L83-D87 PolarHBondContact O-N 3.34Å
84R86.7Confident91Very high163 Ų163103.1 Ų103.162%0.61552%0.515SS*.Hα-helixtrans-58.9-27.9176.7-75.5-176.7177.8105.3-3.9114.5L80 D87 V88L80-R84 WeakPolarHBondContact O-CB 3.4Å; L80-R84 WeakPolarHBondContact O-CG 3.37Å; L80-R84 PolarHBondContact O-N 3.38Å; R84-D87 WeakPolarHBondContact CA-OD2 3.4Å; R84-V88 WeakPolarHBondContact O-CG2 3.45Å; R84-V88 PolarHBondContact O-N 3.11Å
85K86.1Confident90.8Very high163 Ų163105.7 Ų105.771%0.70952%0.522SS*.Hα-helixtrans-74.2-36.1173.5-75.7174.3178.5-172.80112S81 R82 L83 G89S81-K85 VanDerWaalsContact O-CG 3.3Å; S81-K85 WeakPolarHBondContact O-CG 3.39Å; S81-K85 PolarHBondContact O-N 2.83Å; R82-K85 WeakPolarHBondContact O-CB 3.33Å; R82-K85 PolarHBondContact O-N 2.9Å; R82-K85 VanDerWaalsContact O-N 3.13Å; L83-K85 PolarHBondContact O-N 2.91Å; L83-K85 VanDerWaalsContact O-N 3.12Å; K85-G89 PolarHBondContact O-N 3.42Å
86Q85.2Confident90.8Very high125 Ų125109.2 Ų109.258%0.58453%0.531SS*.Hα-helixtrans-66.7-42.1171-176.7176.2-1000111.3R82 L83 V88 G89 L90R82-Q86 PolarHBondContact O-N 3.15Å; R82-Q86 VanDerWaalsContact O-N 3.08Å; L83-Q86 CarbonylContact O-C 3.58Å; L83-Q86 WeakPolarHBondContact O-CA 3.3Å; L83-Q86 WeakPolarHBondContact O-CB 3.29Å; L83-Q86 PolarHBondContact O-N 3.47Å; Q86-V88 VanDerWaalsContact C-N 3.26Å; Q86-V88 PolarHBondContact O-N 2.86Å; Q86-G89 PolarHBondContact O-N 3.37Å; Q86-L90 HydrophobicContact CG-CD1 4.46Å; Q86-L90 PolarHBondContact O-N 2.99Å
87D83.2Confident90.6Very high70 Ų70107.8 Ų107.837%0.37452%0.524SS..Hα-helixtrans-60.5-34176.7-58.7-31.5000112.4L83 R84 L90 K91L83-D87 PolarHBondContact O-N 3.34Å; R84-D87 WeakPolarHBondContact CA-OD2 3.4Å; D87-L90 PolarHBondContact O-N 2.86Å; D87-K91 VanDerWaalsContact O-CB 3.29Å; D87-K91 WeakPolarHBondContact O-CB 3.23Å; D87-K91 PolarHBondContact O-N 3Å
88V78.3Confident90.4Very high93 Ų93106.6 Ų106.656%0.56452%0.524SS*.Hα-helixtrans-64.3-43.3172.6167.50000111.3R84 Q86 K91 T92R84-V88 WeakPolarHBondContact O-CG2 3.45Å; R84-V88 PolarHBondContact O-N 3.11Å; Q86-V88 VanDerWaalsContact C-N 3.26Å; Q86-V88 PolarHBondContact O-N 2.86Å; V88-K91 PolarHBondContact O-N 3.03Å; V88-T92 PolarHBondContact O-N 3.04Å; V88-T92 PolarHBondContact O-OG1 3.19Å
89G84.8Confident90.3Very high36 Ų36106.4 Ų106.437%0.37152%0.522SS..Hα-helixtrans-63.5-42.3175.900000112.9K85 Q86 T92 H93K85-G89 PolarHBondContact O-N 3.42Å; Q86-G89 PolarHBondContact O-N 3.37Å; G89-T92 WeakPolarHBondContact CA-OG1 3.44Å; G89-T92 PolarHBondContact O-N 3.01Å; G89-T92 PolarHBondContact O-OG1 3.42Å; G89-H93 PolarHBondContact O-N 2.88Å
90L87.7Confident90.1Very high106 Ų106105.6 Ų105.656%0.55552%0.519SS*.Hα-helixtrans-64.1-40.2173.2-68.5174.2000111.7Q86 D87 H93 L94Q86-L90 HydrophobicContact CG-CD1 4.46Å; Q86-L90 PolarHBondContact O-N 2.99Å; D87-L90 PolarHBondContact O-N 2.86Å; L90-H93 PolarHBondContact O-N 2.73Å; L90-L94 WeakPolarHBondContact O-CB 3.24Å; L90-L94 PolarHBondContact O-N 3.34Å
91K87.8Confident90Very high145 Ų145105.9 Ų105.963%0.6352%0.52SS*.Hα-helixtrans-63.6-43.2175-176-178.1175.6-174.50111.9D87 V88 H93 L94 Q95D87-K91 VanDerWaalsContact O-CB 3.29Å; D87-K91 WeakPolarHBondContact O-CB 3.23Å; D87-K91 PolarHBondContact O-N 3Å; V88-K91 PolarHBondContact O-N 3.03Å; K91-H93 VanDerWaalsContact C-N 3.34Å; K91-L94 PolarHBondContact O-N 2.87Å; K91-Q95 WeakPolarHBondContact O-CB 3.27Å; K91-Q95 PolarHBondContact O-N 3.04Å
92T91.3Very high89.7Confident71 Ų71106.3 Ų106.344%0.43652%0.523SS..Hα-helixtrans-64.3-39.4176.444.40000111.8V88 G89 Q95 Q96V88-T92 PolarHBondContact O-N 3.04Å; V88-T92 PolarHBondContact O-OG1 3.19Å; G89-T92 WeakPolarHBondContact CA-OG1 3.44Å; G89-T92 PolarHBondContact O-N 3.01Å; G89-T92 PolarHBondContact O-OG1 3.42Å; T92-Q95 PolarHBondContact O-N 3.39Å; T92-Q96 WeakPolarHBondContact O-CB 3.43Å; T92-Q96 VanDerWaalsContact O-CG 3.29Å; T92-Q96 WeakPolarHBondContact O-CG 3.48Å; T92-Q96 PolarHBondContact O-N 3.48Å
93H92.5Very high89.6Confident109 Ų109104.2 Ų104.251%0.50552%0.52SS..Hα-helixtrans-67.4-40.4175.3-170-83.5000112.1G89 L90 K91 Q95 Q96 L97G89-H93 PolarHBondContact O-N 2.88Å; L90-H93 PolarHBondContact O-N 2.73Å; K91-H93 VanDerWaalsContact C-N 3.34Å; H93-Q95 VanDerWaalsContact C-N 3.34Å; H93-Q95 PolarHBondContact O-N 2.84Å; H93-Q96 PolarHBondContact O-N 2.81Å; H93-L97 WeakPolarHBondContact O-CG 3.4Å; H93-L97 PolarHBondContact O-N 3.45Å
94L94.9Very high89.3Confident117 Ų117106.9 Ų106.961%0.61353%0.534SS*.Hα-helixtrans-65-37.8175.1-175.861.6000111.9L90 K91 L97 D98L90-L94 WeakPolarHBondContact O-CB 3.24Å; L90-L94 PolarHBondContact O-N 3.34Å; K91-L94 PolarHBondContact O-N 2.87Å; L94-L97 PolarHBondContact O-N 3.45Å; L94-D98 WeakPolarHBondContact O-CB 3.26Å; L94-D98 PolarHBondContact O-N 3.12Å
95Q93.5Very high89Confident126 Ų126106.4 Ų106.459%0.58954%0.536SS*.Hα-helixtrans-68.9-34.1173.9-174.5176.1-9.700112.2K91 T92 H93 D98 Q99K91-Q95 WeakPolarHBondContact O-CB 3.27Å; K91-Q95 PolarHBondContact O-N 3.04Å; T92-Q95 PolarHBondContact O-N 3.39Å; H93-Q95 VanDerWaalsContact C-N 3.34Å; H93-Q95 PolarHBondContact O-N 2.84Å; Q95-D98 PolarHBondContact O-N 3.26Å; Q95-Q99 WeakPolarHBondContact O-CB 3.35Å; Q95-Q99 PolarHBondContact O-N 2.82Å
96Q94.9Very high87.9Confident119 Ų119105.9 Ų105.956%0.55654%0.541SS*.Hα-helixtrans-67.2-39.6171.4-75.3169.4-36.500111.9T92 H93 Q99 Q100T92-Q96 WeakPolarHBondContact O-CB 3.43Å; T92-Q96 VanDerWaalsContact O-CG 3.29Å; T92-Q96 WeakPolarHBondContact O-CG 3.48Å; T92-Q96 PolarHBondContact O-N 3.48Å; H93-Q96 PolarHBondContact O-N 2.81Å; Q96-Q99 PolarHBondContact O-N 2.93Å; Q96-Q100 WeakPolarHBondContact O-CG 3.41Å; Q96-Q100 PolarHBondContact O-N 2.82Å
97L94.6Very high86.8Confident68 Ų68104.4 Ų104.436%0.35654%0.537SS..Hα-helixtrans-65.1-41.5172.7-71.6173.3000111.9H93 L94 Q99 Q100 I101H93-L97 WeakPolarHBondContact O-CG 3.4Å; H93-L97 PolarHBondContact O-N 3.45Å; L94-L97 PolarHBondContact O-N 3.45Å; L97-Q99 VanDerWaalsContact C-N 3.35Å; L97-Q100 PolarHBondContact O-N 3.3Å; L97-I101 WeakPolarHBondContact O-CB 3.08Å; L97-I101 WeakPolarHBondContact O-CD1 3.46Å; L97-I101 WeakPolarHBondContact O-CG1 3.29Å; L97-I101 PolarHBondContact O-N 3.22Å
98D93.3Very high85.7Confident109 Ų109106.4 Ų106.458%0.58355%0.552SS**Hα-helixtrans-64-39.6176.2-166.953.8000111.7L94 Q95 I101 S102L94-D98 WeakPolarHBondContact O-CB 3.26Å; L94-D98 PolarHBondContact O-N 3.12Å; Q95-D98 PolarHBondContact O-N 3.26Å; D98-I101 PolarHBondContact O-N 3Å; D98-S102 PolarHBondContact O-N 2.83Å
99Q93.3Very high84.5Confident101 Ų101105.9 Ų105.947%0.47255%0.552SS.*Hα-helixtrans-62.6-45.9170.8-178.461.137.400112.1Q95 Q96 L97 I101 S102 E103Q95-Q99 WeakPolarHBondContact O-CB 3.35Å; Q95-Q99 PolarHBondContact O-N 2.82Å; Q96-Q99 PolarHBondContact O-N 2.93Å; L97-Q99 VanDerWaalsContact C-N 3.35Å; Q99-I101 VanDerWaalsContact C-N 3.3Å; Q99-I101 PolarHBondContact O-N 2.81Å; Q99-S102 PolarHBondContact O-N 3.42Å; Q99-S102 VanDerWaalsContact O-N 3.14Å; Q99-S102 PolarHBondContact O-OG 3.03Å; Q99-E103 WeakPolarHBondContact CG-OE1 3.16Å; Q99-E103 PolarHBondContact NE2-OE1 3.32Å; Q99-E103 WeakPolarHBondContact O-CG 3.34Å; Q99-E103 PolarHBondContact O-N 2.82Å
100Q93.6Very high83.2Confident106 Ų106112.3 Ų112.350%0.49557%0.57SS.*Hα-helixtrans-64.1-35.3175.1-74.9179.3-3200112.3Q96 L97 S102 E103 L104Q96-Q100 WeakPolarHBondContact O-CG 3.41Å; Q96-Q100 PolarHBondContact O-N 2.82Å; L97-Q100 PolarHBondContact O-N 3.3Å; Q100-S102 VanDerWaalsContact C-N 3.35Å; Q100-E103 PolarHBondContact O-N 2.98Å; Q100-L104 VanDerWaalsContact O-CB 3.28Å; Q100-L104 WeakPolarHBondContact O-CB 3.36Å; Q100-L104 WeakPolarHBondContact O-CD1 3.3Å; Q100-L104 WeakPolarHBondContact O-CG 3.37Å; Q100-L104 PolarHBondContact O-N 2.94Å
101I91.8Very high81.4Confident86 Ų86111.7 Ų111.744%0.44158%0.579SS.*Hα-helixtrans-68.9-33.9173.9-70.9162.7000110.8L97 D98 Q99 K105L97-I101 WeakPolarHBondContact O-CB 3.08Å; L97-I101 WeakPolarHBondContact O-CD1 3.46Å; L97-I101 WeakPolarHBondContact O-CG1 3.29Å; L97-I101 PolarHBondContact O-N 3.22Å; D98-I101 PolarHBondContact O-N 3Å; Q99-I101 VanDerWaalsContact C-N 3.3Å; Q99-I101 PolarHBondContact O-N 2.81Å; I101-K105 HydrophobicContact CG2-CD 4.28Å; I101-K105 HydrophobicContact CG2-CG 4.43Å; I101-K105 WeakPolarHBondContact O-CB 3.45Å; I101-K105 WeakPolarHBondContact O-CG 3.4Å; I101-K105 PolarHBondContact O-N 2.91Å
102S87.6Confident79.7Confident61 Ų61108.7 Ų108.743%0.42758%0.577SS.*Hα-helixtrans-72.6-30.7175800000112.8D98 Q99 Q100D98-S102 PolarHBondContact O-N 2.83Å; Q99-S102 PolarHBondContact O-N 3.42Å; Q99-S102 VanDerWaalsContact O-N 3.14Å; Q99-S102 PolarHBondContact O-OG 3.03Å; Q100-S102 VanDerWaalsContact C-N 3.35Å
103E88Confident77.8Confident127 Ų127111.4 Ų111.459%0.59359%0.593SS**Hα-helixtrans-75.8-36.3172.8-71.1166-163.700112.8Q99 Q100Q99-E103 WeakPolarHBondContact CG-OE1 3.16Å; Q99-E103 PolarHBondContact NE2-OE1 3.32Å; Q99-E103 WeakPolarHBondContact O-CG 3.34Å; Q99-E103 PolarHBondContact O-N 2.82Å; Q100-E103 PolarHBondContact O-N 2.98Å
104L85.8Confident76Confident143 Ų143113.3 Ų113.375%0.74961%0.608SS**Hα-helixtrans-80.6-24.1176.3-70.9168.8000113.1Q100 L106Q100-L104 VanDerWaalsContact O-CB 3.28Å; Q100-L104 WeakPolarHBondContact O-CB 3.36Å; Q100-L104 WeakPolarHBondContact O-CD1 3.3Å; Q100-L104 WeakPolarHBondContact O-CG 3.37Å; Q100-L104 PolarHBondContact O-N 2.94Å; L104-L106 VanDerWaalsContact C-N 3.27Å; L104-L106 PolarHBondContact O-N 2.93Å
105K80.3Confident74Confident153 Ų153116.3 Ų116.367%0.66562%0.618SS**SBendtrans-67.791.3161.8-83.3177.5173.1-174.20107.8I101 D107I101-K105 HydrophobicContact CG2-CD 4.28Å; I101-K105 HydrophobicContact CG2-CG 4.43Å; I101-K105 WeakPolarHBondContact O-CB 3.45Å; I101-K105 WeakPolarHBondContact O-CG 3.4Å; I101-K105 PolarHBondContact O-N 2.91Å; K105-D107 PolarHBondContact O-N 3.15Å
106L64.3Low72Confident152 Ų152116.8 Ų116.880%0.79662%0.624SS**  trans-48.8106.7168-66.4175.3000108.9L104 V108L104-L106 VanDerWaalsContact C-N 3.27Å; L104-L106 PolarHBondContact O-N 2.93Å; L106-V108 VanDerWaalsContact C-N 3.29Å; L106-V108 WeakPolarHBondContact O-CG2 3.26Å; L106-V108 PolarHBondContact O-N 2.66Å
107D61.4Low70Confident95 Ų95120.7 Ų120.751%0.50864%0.642SS.*  trans-67.792.6176.8-1623000106.3K105 S109 K110K105-D107 PolarHBondContact O-N 3.15Å; D107-S109 PolarHBondContact O-N 3.09Å; D107-S109 PolarHBondContact OD1-OG 2.84Å; D107-S109 PolarHBondContact OD2-OG 3.32Å; D107-K110 HydrophobicContact CB-CB 4.35Å; D107-K110 HydrophobicContact CB-CG 3.9Å; D107-K110 WeakPolarHBondContact O-CA 3.48Å; D107-K110 WeakPolarHBondContact O-CB 3.5Å; D107-K110 PolarHBondContact O-N 3.44Å
108V60.4Low67.7Low112 Ų112122 Ų12268%0.67966%0.657SS**G310 helixtrans-58.1-26.8-172.8-177.40000110.5L106 K110 A111L106-V108 VanDerWaalsContact C-N 3.29Å; L106-V108 WeakPolarHBondContact O-CG2 3.26Å; L106-V108 PolarHBondContact O-N 2.66Å; V108-K110 PolarHBondContact O-N 3.16Å; V108-A111 PolarHBondContact O-N 3.5Å
109S52Low66.1Low81 Ų81123.6 Ų123.657%0.56667%0.666SS**G310 helixtrans-58.7-2017076.10000115.4D107D107-S109 PolarHBondContact O-N 3.09Å; D107-S109 PolarHBondContact OD1-OG 2.84Å; D107-S109 PolarHBondContact OD2-OG 3.32Å
110K58Low64.2Low172 Ų172124.4 Ų124.475%0.74868%0.682SS**G310 helixtrans-100.2-15.1178.6-63.8-70-175.5174.70113.6D107 V108D107-K110 HydrophobicContact CB-CB 4.35Å; D107-K110 HydrophobicContact CB-CG 3.9Å; D107-K110 WeakPolarHBondContact O-CA 3.48Å; D107-K110 WeakPolarHBondContact O-CB 3.5Å; D107-K110 PolarHBondContact O-N 3.44Å; V108-K110 PolarHBondContact O-N 3.16Å
111A49.6Very low62.6Low92 Ų92130.4 Ų130.476%0.7670%0.701SS**SBendtrans-92.31.9-178.600000113.6V108V108-A111 PolarHBondContact O-N 3.5Å
112S53.6Low61Low83 Ų83132.1 Ų132.158%0.5872%0.718SS**SBendtrans-136.195.8-176.663.60000113.4
113T51.4Low59.2Low127 Ų127134.4 Ų134.478%0.77973%0.733SS**SBendtrans-168-34.9139.5-170.50000112.7
114D54.1Low57.6Low150 Ų150134.1 Ų134.180%0.80275%0.745SS**SBendtrans-118.665.2-169.3-76.4-41000114.1
115Q52.9Low56Low179 Ų179130.6 Ų130.684%0.83674%0.744SS**SBendtrans-161.7136.8148.1-117.3178.2400114.1
116L52.3Low54.5Low137 Ų137131.4 Ų131.472%0.71775%0.748SS**  trans63.470.8159.9-58175.7000117.9S118L116-S118 PolarHBondContact O-N 3Å
117E51.1Low53.6Low200 Ų200131.2 Ų131.294%0.93574%0.738SS**  trans-68.5104.1132.6-178.9156.6-137.200108.2
118S47Very low52.8Low95 Ų95133.4 Ų133.466%0.66475%0.745SS**  trans-155.981.8175.1-73.30000109.3L116L116-S118 PolarHBondContact O-N 3Å
119D59.2Low52.1Low143 Ų143135.3 Ų135.377%0.76575%0.75SS**  trans-62.6132175.9175.633.1000112.1
120S54.3Low52.2Low118 Ų118137.3 Ų137.383%0.82576%0.764SS**  trans-173.8103.2153.4-82.90000111
121R59.6Low51.6Low232 Ų232137.3 Ų137.388%0.87577%0.772SS**  trans-86.8159.1160.3-61.8180170.3-168.9-2.5109.8
122P57.5Low51.7Low123 Ų123136.8 Ų136.880%0.79978%0.776SS**  -155146.794.537.3-17.7000118.4
123S51.7Low51.2Low108 Ų108136.5 Ų136.576%0.75579%0.786SS**  trans67.3145.3135.1-152.50000124.6
124S53Low50.8Low121 Ų121135.8 Ų135.885%0.84679%0.787SS**  trans67.2151.6159.471.70000119.5
125G53.3Low50.1Low70 Ų70134.2 Ų134.272%0.72279%0.786SS**  cis155.4145.7-11.300000115
126F46.9Very low49.7Very low170 Ų170131.8 Ų131.875%0.74679%0.788SS**  trans82.2120.5157.8-137.7-110.9000121.4
127Y45.8Very low49.4Very low148 Ų148136.2 Ų136.258%0.5880%0.796SS**  trans58.5168.9140.3-79.2-124000121.3
128E44.9Very low48.9Very low140 Ų140132.7 Ų132.765%0.65479%0.793SS**  cis-160.9167.1-35.8-177.5162.8-115.600111.4
129L45Very low48.9Very low152 Ų152135.4 Ų135.480%0.79680%0.8SS**  trans-28.3154.2178.5-58.7162.6000121.2
130S54Low48.4Very low123 Ų123134.5 Ų134.586%0.8681%0.805SS**  -169.4153.8128.7-82.70000114.1
131D46.1Very low47.7Very low172 Ų172134 Ų13492%0.9280%0.8SS**  trans-81.3162.7177.5-59.6-82.2000114
132G51.9Low46.8Very low81 Ų81129.7 Ų129.784%0.83580%0.8SS**  trans-168.771.7-179.500000115.5
133G43.5Very low46Very low77 Ų77129.5 Ų129.579%0.79480%0.801SS**  trans-74-166.6-166.400000120.2
134S42.8Very low45.6Very low113 Ų113130.8 Ų130.879%0.7980%0.804SS**  trans85.6104.3164-67.20000120.8
135C39.6Very low44.8Very low117 Ų117135.4 Ų135.479%0.79181%0.805SS**  42119.9108.7-56.20000119.7
136S44.8Very low44.1Very low127 Ų127137 Ų13789%0.88881%0.805SS**  -163.2160.5103.8-88.10000114
137R45.2Very low43.5Very low231 Ų231137.2 Ų137.287%0.87281%0.808SS**  trans-106.9144.1-179-56.5156.271.3129.8-0.2108.8
138S41.6Very low42.8Very low126 Ų126135.5 Ų135.588%0.88182%0.816SS**  trans-160138.1153.7-86.10000111
139N47.2Very low42.5Very low152 Ų152137 Ų13781%0.81383%0.828SS**  trans-106.8144.7177.5-52.4-16.4000108.6
140S48.1Very low41.8Very low123 Ų123134.8 Ų134.886%0.8683%0.825SS**  trans-149.6155.8151.259.50000109.3
141C39.6Very low40.7Very low107 Ų107133.2 Ų133.272%0.72381%0.814SS**  trans-136.8170.2-161.3-57.50000111.8
142T40.3Very low40.1Very low142 Ų142129.7 Ų129.787%0.87180%0.803SS**  trans62.2114.6162.260.30000118.8
143S41.4Very low39.3Very low119 Ų119134 Ų13483%0.83280%0.802SS**  trans-155.3126.5133.8-172.30000109.6
144V42.3Very low38.7Very low135 Ų135135.7 Ų135.782%0.81880%0.797SS**  trans-146.398.7174.6179.20000108.8
145Y36.7Very low38.3Very low219 Ų219135.1 Ų135.186%0.85979%0.793SS**  trans-170.8142165.8-91.5-78.8000106.2
146S38.8Very low38Very low102 Ų102137.7 Ų137.771%0.71380%0.798SS**  cis-158.6179.8-21.5-121.40000110.4
147E34Very low37.7Very low176 Ų176139 Ų13982%0.82279%0.793SS**  trans-58.9170.5-173.6-56.1172.211000117.8
148C31.5Very low37.8Very low111 Ų111133 Ų13375%0.7578%0.784SS**  trans110.1151.3146.6-690000119.4
149L37.8Very low37.4Very low172 Ų172134.9 Ų134.990%0.90178%0.783SS**  trans71.2147.8-178.8-46-179.6000116.6
150S30.8Very low36.7Very low106 Ų106132.6 Ų132.674%0.74178%0.779SS**  cis-176142.1-39.2-175.20000107.1
151S30.5Very low36.6Very low89 Ų89131.8 Ų131.862%0.62277%0.771SS**  trans37.5110155.7-176.90000120.4
152S32.9Very low36.2Very low99 Ų99133.5 Ų133.569%0.69278%0.779SS**  29121.8124.2-44.20000120.3
153Q37Very low35.6Very low171 Ų171130 Ų13080%0.79977%0.77SS**  -179.3160.6110.4-101.9169.1100.500116.7
154T30.3Very low35Very low113 Ų113130.4 Ų130.469%0.69377%0.772SS**  trans51.6112.8151.553.30000121.7
155S33.4Very low34.4Very low101 Ų101132.2 Ų132.271%0.70677%0.771SS**  trans12.4133.3130.257.80000120.5
156L33.1Very low34.1Very low171 Ų171128 Ų12890%0.89577%0.768SS**  -164.9153.5107.6-100.4171.1000112.3
157I39.1Very low33.6Very low154 Ų154127.9 Ų127.979%0.7977%0.767SS**  trans-141.2151.2176.3-76176.5000104.6
158P46.5Very low34.2Very low105 Ų105125.1 Ų125.168%0.68276%0.764SS**  cis-125.6-174.58.432.4-11.9000114.1
159L33.4Very low35.3Very low166 Ų166125.2 Ų125.287%0.86976%0.763SS**  177134.7111.9-92.4167.2000113.3
160S33Very low35.6Very low104 Ų104122.3 Ų122.373%0.72776%0.755SS**  trans-129.5155.9157.163.50000106.6
161P45.8Very low35.4Very low106 Ų106126.1 Ų126.169%0.68876%0.761SS**  -154.7-172.477.340.8-20000116.1
162T31Very low35.3Very low143 Ų143127.8 Ų127.888%0.87777%0.767SS**  trans64144.1161.2400000119.4
163G28.8Very low35.2Very low67 Ų67129.2 Ų129.269%0.69177%0.767SS**  cis172.4160-8.600000114.5
164C29Very low35.1Very low129 Ų129126.2 Ų126.287%0.87276%0.76SS**  trans64.396.1158.7-590000122.2
165H29.1Very low35.2Very low173 Ų173130 Ų13080%0.80177%0.767SS**  49.7118.1113.3-173.6-81.1000122.3
166V29.7Very low35.5Very low131 Ų131134.1 Ų134.179%0.79478%0.775SS**  trans-176.9160.1134.2142.80000110.3
167S28.2Very low35.4Very low98 Ų98136.6 Ų136.669%0.68577%0.772SS**  trans-148.6-171.9-176.568.10000110.5
168P47.2Very low35.4Very low119 Ų119140.5 Ų140.577%0.77378%0.777SS**  cis-130.2-116.3-229-0.8000115.2
169P55.3Low34.7Very low112 Ų112141 Ų14173%0.72778%0.783SS**  trans-125.8-160.3-13640-15.7000114.9
170P43.4Very low34.8Very low111 Ų111139.2 Ų139.272%0.72178%0.779SS**  -153177.68741.3-22.2000118.5
171Q26.9Very low34.7Very low186 Ų186141.4 Ų141.487%0.86978%0.782SS**  trans76.9156.5170.8-57.8-177.3-23.500116.4
172V28.5Very low33.9Very low125 Ų125143.7 Ų143.776%0.75878%0.784SS**  cis-146.5-179.62.589.20000112.4
173D29.6Very low34Very low129 Ų129141.5 Ų141.569%0.6977%0.774SS**  trans-74.2147.2-172.1-58.2-49.2000116.6
174V35.9Very low35Very low107 Ų107144.4 Ų144.465%0.64878%0.781SS**  68.9129.871.1-144.40000112.4
175F33.2Very low35Very low193 Ų193141.9 Ų141.985%0.84678%0.777SS**  cis-151.6177.247.9-81.3-91.8000117.1
176H38Very low35.2Very low188 Ų188141.5 Ų141.587%0.8778%0.776SS**  trans-113.1163.2177.7-77.5-59.1000113.9
177R31.2Very low35.8Very low222 Ų222140.9 Ų140.984%0.83877%0.774SS**  trans-163.5164.6135.7-98.8-63.6168.9-169.4-7.7112.6
178R40.3Very low35.7Very low236 Ų236142.3 Ų142.389%0.89177%0.774SS**  trans-144.4146.2170.8-65.4-175.4-173.6176.71.9110.8
179S32Very low36.4Very low115 Ų115141.6 Ų141.680%0.80477%0.77SS**  trans-173.8141.6152.842.20000108.1
180V35.6Very low36.2Very low129 Ų129142 Ų14278%0.78277%0.772SS**  cis83.2105.421.8-1750000114.9
181D29.5Very low36Very low150 Ų150148 Ų14880%0.80278%0.781SS**  trans172.6165.3139.7-109.3-6.1000110.6
182E29.5Very low36.2Very low154 Ų154144.8 Ų144.872%0.7277%0.774SS**  cis-147.8-160.4-13-147.6-124.591.300110
183S34Very low36.5Very low97 Ų97144.8 Ų144.868%0.67877%0.774SS**  trans-99.3-137.7-163.2-59.60000116.6
184P49.6Very low36.5Very low128 Ų128141.6 Ų141.683%0.83177%0.772SS**  -124.6176.2-99.536.8-20.5000116.8
185G29.2Very low36.4Very low77 Ų77143.7 Ų143.779%0.79478%0.779SS**  trans-167119.4170.700000118.3
186Q31.3Very low36.5Very low165 Ų165141.6 Ų141.677%0.77177%0.771SS**  trans-88.5171.1157.7-85.2-92.3-15.700109
187P42.8Very low36.5Very low117 Ų117140.4 Ų140.476%0.7677%0.77SS**  cis-146.1-17628.843.7-22.5000119.2
188N26.2Very low36.5Very low129 Ų129133.3 Ų133.369%0.6977%0.766SS**  trans-95.8-170168.9-85.2-83.6000112
189P63.1Low36.2Very low104 Ų104128.1 Ų128.168%0.67577%0.766SS**  -134162.7-51.637-22.5000114
190P51.2Low36.3Very low120 Ų120127.4 Ų127.478%0.77976%0.761SS**  trans-86.7-178166.436.2-35.3000113.9
191R37.7Very low36.2Very low237 Ų237132.7 Ų132.789%0.89477%0.767SS**  trans-134.5172169.2-60.9166.9179132.5-3.2106.1
192T32.3Very low36.6Very low119 Ų119132.7 Ų132.773%0.7377%0.765SS**  -171.1155.251.443.70000113.2
193T34.7Very low37.2Very low124 Ų124136.3 Ų136.376%0.76177%0.772SS**  15.4141.3122.1-26.30000119.2
194G30.1Very low37.1Very low62 Ų62136.6 Ų136.664%0.63978%0.781SS**  cis148.1176.1-2.500000112.8
195L32.6Very low36.5Very low152 Ų152136.1 Ų136.180%0.79678%0.781SS**  trans72.4159.5168.6-44.8177.9000116.4
196H35.1Very low36.7Very low149 Ų149136.2 Ų136.269%0.6977%0.774SS**  cis-155.2153.3-10-133.5-62.9000112.1
197L38.9Very low37Very low163 Ų163136.5 Ų136.585%0.85378%0.779SS**  trans20.9140151.9-101.151.7000123.6
198G30.7Very low36.6Very low73 Ų73134 Ų13475%0.75377%0.774SS**  trans-169.686.8165.100000119.8
199S34.5Very low37Very low126 Ų126134 Ų13488%0.88178%0.779SS**  trans70.6178.8156.5-150.70000120.8
200S33.5Very low35.6Very low100 Ų100135.5 Ų135.570%0.69978%0.781SS**  trans-153.6173.2-166.7-55.30000114.3
201R33.8Very low34.9Very low240 Ų240139.1 Ų139.191%0.90678%0.781SS**  trans77.2145.6171.9-71.4-177-86.4-147.4-6.1114.6
202I38.8Very low35.1Very low150 Ų150135.9 Ų135.977%0.76978%0.776SS**  cis-129.216611.9-64.8178.4000112.2
203R41Very low35Very low230 Ų230136.4 Ų136.487%0.86878%0.779SS**  trans-69.8151.5-176.4-50.9163.6-72.5-132.8-0.1116.4
204A32.4Very low35Very low104 Ų104141.4 Ų141.486%0.8678%0.784SS**  -164.2144.7124.300000113.3
205S35.8Very low35.9Very low118 Ų118143.4 Ų143.483%0.82579%0.786SS**  trans-90.1171.6178.749.10000112.8
206A35.3Very low35.7Very low78 Ų78147 Ų14765%0.64579%0.789SS**  cis-150.5146.813.100000110.7
207I35.9Very low36.6Very low171 Ų171145.5 Ų145.588%0.87779%0.792SS**  56.5125.298-50.8171.2000114.5
208G34.1Very low36.8Very low65 Ų65143.9 Ų143.967%0.6779%0.789SS**  cis159.7152.3-3.700000113.4
209T34.7Very low37.3Very low130 Ų130145.3 Ų145.380%0.79879%0.787SS**  trans-136.9-175.9-174.162.50000110.8
210D35.6Very low37.6Very low134 Ų134145.7 Ų145.772%0.71778%0.784SS**  cis-154.8-175.517-134.8-56.6000114.2
211Y34.8Very low37.8Very low197 Ų197144.4 Ų144.477%0.77379%0.787SS**  trans-77144.6-179.2-72.1-96.1000115.4
212Q41.6Very low38.5Very low168 Ų168137.1 Ų137.179%0.78577%0.766SS**  trans60.7147.6150.7-115.9111-15.400118.8
213T31.5Very low38.8Very low130 Ų130137.2 Ų137.280%0.79877%0.767SS**  cis-155.1-178.123.3-43.50000113.2
214R33.7Very low38.8Very low230 Ų230134.6 Ų134.687%0.86877%0.765SS**  trans-65.2-178.8-177.8-93-174.8179.3-147.50.7117.1
215P48.8Very low39.4Very low104 Ų104139.1 Ų139.168%0.67576%0.759SS**  cis-147.4163.821.541.1-19.7000122.6
216R29.7Very low39.8Very low228 Ų228140.1 Ų140.186%0.8675%0.754SS**  trans68158.8150.3-78.7177-177.4150.21.3120
217P54.2Low40.3Very low116 Ų116145.5 Ų145.575%0.75377%0.768SS**  cis-88.9-137.1-6.13.219.3000111.6
218V41.7Very low40.8Very low130 Ų130141.1 Ų141.179%0.78876%0.758SS**  cis-152.8162.81.2-145.50000110.4
219S41.4Very low41Very low102 Ų102147.7 Ų147.771%0.71377%0.771SS**  trans56.8120.2158.7-132.50000121.8
220T42.1Very low40.8Very low135 Ų135145 Ų14583%0.82877%0.769SS**  trans9.9133.913858.10000119.3
221G37.6Very low40.9Very low72 Ų72147.2 Ų147.274%0.74278%0.78SS**  cis154.8118.12.200000111.9
222D48.3Very low40.8Very low87 Ų87141 Ų14147%0.46578%0.776SS.*  trans32.3111.4150.8-160.1-1.7000119.4E224 R225D222-E224 PolarHBondContact OD1-N 3.08Å; D222-R225 IonicContact OD1-NE 2.83Å; D222-R225 IonicContact OD2-CZ 2.83Å; D222-R225 IonicContact OD2-NE 3.12Å; D222-R225 PolarHBondContact OD2-NE 2.92Å; D222-R225 IonicContact OD2-NH2 3.86Å; D222-R225 PolarHBondContact OD2-NH2 3.31Å
223L43.8Very low40.3Very low153 Ų153139 Ų13980%0.80178%0.779SS**  trans-139.119.3167.6-122.4174.9000112.2I226L223-I226 HydrophobicContact CD2-CD1 4.26Å
224E42.9Very low40.3Very low175 Ų175142.5 Ų142.582%0.81878%0.783SS**  trans-113.48.9-169.159.8-168.1165.900114.1D222D222-E224 PolarHBondContact OD1-N 3.08Å
225R44.6Very low40.3Very low198 Ų198142.3 Ų142.375%0.74778%0.783SS**  trans-115.554.1179.9-66.8-167.4-76.4-175.6-2.5114.4D222D222-R225 IonicContact OD1-NE 2.83Å; D222-R225 IonicContact OD2-CZ 2.83Å; D222-R225 IonicContact OD2-NE 3.12Å; D222-R225 PolarHBondContact OD2-NE 2.92Å; D222-R225 IonicContact OD2-NH2 3.86Å; D222-R225 PolarHBondContact OD2-NH2 3.31Å
226I43.9Very low39.6Very low139 Ų139142.8 Ų142.871%0.71379%0.789SS**SBendtrans-132.79.3173.2-20.2178.8000114.5L223L223-I226 HydrophobicContact CD2-CD1 4.26Å
227M46.2Very low39.8Very low191 Ų191136.6 Ų136.694%0.94179%0.786SS**SBendtrans-133.925.2175.9-63.6-155.6-56.900114.2
228A46.4Very low38.4Very low80 Ų80138.5 Ų138.566%0.66179%0.79SS**SBendtrans-135.615.7-172.400000115.9
229Q37.5Very low38.7Very low203 Ų203135.5 Ų135.595%0.94978%0.779SS**SBendtrans-155.8122164.4-102131.420.500109.9
230G30.5Very low38.8Very low74 Ų74139.7 Ų139.776%0.76378%0.784SS**  cis-162.5143.6-700000115.7
231L37.5Very low38.8Very low179 Ų179142.9 Ų142.994%0.93779%0.787SS**  trans-105.295154.9-97.6155.1000106.9C233L231-C233 PolarHBondContact O-N 2.71Å
232G34Very low38.5Very low66 Ų66147.3 Ų147.368%0.6879%0.792SS**  trans-66.4118.9175.900000110.4F234G232-F234 PolarHBondContact O-N 2.92Å
233C30.7Very low37.8Very low127 Ų127148.7 Ų148.786%0.85881%0.806SS**  trans-75.786.5-176.9-169.20000111.3L231L231-C233 PolarHBondContact O-N 2.71Å
234F31.2Very low37.2Very low203 Ų203147.9 Ų147.989%0.8981%0.808SS**PPolyproline II helixtrans-74134.1167.7-95.8-85.5000111G232G232-F234 PolarHBondContact O-N 2.92Å
235R33Very low36.6Very low226 Ų226144.6 Ų144.685%0.85380%0.802SS**PPolyproline II helixtrans-80.5151.8179-68.6-97.3-75.1-158.6-5.6111
236S34.2Very low36.2Very low114 Ų114140.6 Ų140.680%0.79780%0.802SS**PPolyproline II helixtrans-58.2154.4166.731.20000112.5
237A33.2Very low35.8Very low98 Ų98143.6 Ų143.681%0.8181%0.81SS**  cis-162.5164.8-4.700000110.8
238D25.2Very low35.5Very low157 Ų157142 Ų14284%0.8480%0.8SS**  -149.2163.8125.9-163.110.2000109.7
239A47.6Very low35Very low67 Ų67148.1 Ų148.155%0.55481%0.812SS**  trans-105.3123.3-168.900000113.6
240K44.7Very low35.3Very low190 Ų190145.3 Ų145.383%0.82680%0.802SS**  -173.4130.6128.6-92.2133.6-151.6151.60112.4
241K42.3Very low36.3Very low201 Ų201145 Ų14587%0.87479%0.788SS**  trans62.2100.7164.6-57.6-177.3-179.5-178.50117.5
242L30Very low36.9Very low165 Ų165142.3 Ų142.386%0.86478%0.781SS**  trans-87.9156.3155.5-100.570.6000110.9
243P35.3Very low38Very low116 Ų116140.8 Ų140.875%0.75376%0.759SS**  trans-70.1161.7170.531.3-35.3000112.3C245P243-C245 PolarHBondContact O-N 3.31Å
244V30.6Very low39.4Very low137 Ų137137.5 Ų137.583%0.8373%0.733SS**  trans-91.5101.8-173.8179.90000111.1
245C30.8Very low41.1Very low105 Ų105132.4 Ų132.471%0.70972%0.72SS**  trans-64136.7159.4-62.10000109.5P243 K247P243-C245 PolarHBondContact O-N 3.31Å; C245-K247 PolarHBondContact O-N 2.95Å; C245-K247 VanDerWaalsContact O-N 3.12Å
246P34.8Very low42.7Very low114 Ų114125.1 Ų125.174%0.7469%0.694SS**  trans-65.2115.5178.226.4-33.3000109.9Q248P246-Q248 PolarHBondContact O-N 3.32Å
247K36Very low44.2Very low203 Ų203120.7 Ų120.788%0.88366%0.661SS**  trans-71.278.9175-67.2-176.4-179.8-179.50110.3C245 K249C245-K247 PolarHBondContact O-N 2.95Å; C245-K247 VanDerWaalsContact O-N 3.12Å; K247-K249 PolarHBondContact O-N 3.3Å
248Q39.4Very low46Very low157 Ų157119.6 Ų119.673%0.73464%0.639SS**  trans-52.5127.4160.2-72.7-173.3-9.300107.8P246 I250P246-Q248 PolarHBondContact O-N 3.32Å; Q248-I250 PolarHBondContact O-N 3.21Å
249K36.7Very low48.2Very low208 Ų208116.6 Ų116.690%0.90462%0.616SS**  trans-72.996.9-170.1-68.1175.8-177.6172.40109.3K247 S251K247-K249 PolarHBondContact O-N 3.3Å; K249-S251 PolarHBondContact O-N 3.34Å
250I42.9Very low49.8Very low145 Ų145117.9 Ų117.974%0.74461%0.61SS**  trans-57.2104.2166.8-60.3173.8000107Q248Q248-I250 PolarHBondContact O-N 3.21Å
251S51.9Low51.4Low66 Ų66108.9 Ų108.946%0.46257%0.571SS.*  trans-52.8135.6163.5176.60000107.7K249 V253K249-S251 PolarHBondContact O-N 3.34Å; S251-V253 PolarHBondContact O-N 3.38Å
252P49.6Very low53.1Low124 Ų124103.8 Ų103.881%0.80555%0.55SS**  trans-7274.2-177.730.7-35.7000111.1D254P252-D254 PolarHBondContact O-N 2.84Å
253V57Low55.6Low34 Ų3496.7 Ų96.721%0.20651%0.514CS..  trans-56.2123155178.60000106A26 S251 F257 Q258A26-V253 HydrophobicContact CB-CG1 4.21Å; S251-V253 PolarHBondContact O-N 3.38Å; V253-F257 HydrophobicContact CG1-CB 4.27Å; V253-Q258 HydrophobicContact CG1-CG 4.45Å
254D60.1Low57Low57 Ų5794.8 Ų94.831%0.30550%0.503SS..  trans-54.4120.6-175.8-174.9-30.3000109.5P252 K256 F257P252-D254 PolarHBondContact O-N 2.84Å; D254-K256 HydrophobicContact CB-CG 4.32Å; D254-K256 PolarHBondContact O-N 3.37Å; D254-K256 WeakPolarHBondContact OD1-CD 3.43Å; D254-K256 VanDerWaalsContact OD1-CG 3.3Å; D254-K256 WeakPolarHBondContact OD1-CG 3.49Å; D254-K256 PolarHBondContact OD1-N 3.44Å; D254-K256 WeakPolarHBondContact OD2-CE 3.39Å; D254-K256 IonicContact OD2-NZ 2.73Å; D254-K256 PolarHBondContact OD2-NZ 2.94Å; D254-F257 HydrophobicContact CB-CD2 3.87Å; D254-F257 HydrophobicContact CB-CE2 4.1Å; D254-F257 WeakPolarHBondContact O-CB 3.47Å; D254-F257 PolarHBondContact O-N 2.9Å
255P68.2Low58.8Low96 Ų9691 Ų9162%0.62349%0.491SS*.G310 helixtrans-63.2-13.6-166.124-35.2000113.8F257 Q258P255-F257 PolarHBondContact O-N 3.36Å; P255-Q258 PolarHBondContact O-N 3.14Å; P255-Q258 VanDerWaalsContact O-N 3.17Å
256K66.7Low60.6Low73 Ų7388.6 Ų88.632%0.31749%0.485SS..G310 helixtrans-55.5-39.216772.5-163.1-177.2-1500111.7D254 Q258 Q288D254-K256 HydrophobicContact CB-CG 4.32Å; D254-K256 PolarHBondContact O-N 3.37Å; D254-K256 WeakPolarHBondContact OD1-CD 3.43Å; D254-K256 VanDerWaalsContact OD1-CG 3.3Å; D254-K256 WeakPolarHBondContact OD1-CG 3.49Å; D254-K256 PolarHBondContact OD1-N 3.44Å; D254-K256 WeakPolarHBondContact OD2-CE 3.39Å; D254-K256 IonicContact OD2-NZ 2.73Å; D254-K256 PolarHBondContact OD2-NZ 2.94Å; K256-Q258 PolarHBondContact O-N 2.91Å; K256-Q288 VanDerWaalsContact C-CD 3.43Å; K256-Q288 VanDerWaalsContact O-CG 3.26Å; K256-Q288 WeakPolarHBondContact O-CG 3.36Å; K256-Q288 PolarHBondContact O-NE2 3.38Å; K256-Q288 PolarHBondContact O-OE1 3.24Å
257F64.7Low62.4Low22 Ų2288.6 Ų88.610%0.09648%0.483CS..G310 helixtrans-79.412.5180-56-52.7000114.2Q22 A23 A26 V253 D254 P255 L281Q22-F257 HydrophobicContact CG-CE2 4.18Å; A23-F257 HydrophobicContact CB-CE1 4.31Å; A23-F257 HydrophobicContact CB-CZ 4.47Å; A26-F257 HydrophobicContact CB-CD2 4.35Å; V253-F257 HydrophobicContact CG1-CB 4.27Å; D254-F257 HydrophobicContact CB-CD2 3.87Å; D254-F257 HydrophobicContact CB-CE2 4.1Å; D254-F257 WeakPolarHBondContact O-CB 3.47Å; D254-F257 PolarHBondContact O-N 2.9Å; P255-F257 PolarHBondContact O-N 3.36Å; F257-L281 HydrophobicContact CB-CD1 4.22Å; F257-L281 HydrophobicContact CD1-CD1 3.66Å; F257-L281 HydrophobicContact CD1-CD2 4.03Å; F257-L281 HydrophobicContact CE1-CD1 4.33Å; F257-L281 HydrophobicContact CG-CD1 4.19Å
258Q70.9Confident64.3Low74 Ų7483.5 Ų83.535%0.34646%0.462SS..G310 helixtrans-121.428.6178.9-62.3-175-37.200112.2V253 P255 K256 Y272V253-Q258 HydrophobicContact CG1-CG 4.45Å; P255-Q258 PolarHBondContact O-N 3.14Å; P255-Q258 VanDerWaalsContact O-N 3.17Å; K256-Q258 PolarHBondContact O-N 2.91Å; Q258-Y272 HydrophobicContact CB-CD1 4.39Å; Q258-Y272 HydrophobicContact CB-CE1 4.09Å; Q258-Y272 HydrophobicContact CB-CE2 4.5Å; Q258-Y272 HydrophobicContact CG-CE1 4.35Å; Q258-Y272 HydrophobicContact CG-CE2 4.39Å
259R71.1Confident66.3Low95 Ų9580.6 Ų80.636%0.35845%0.451SS..SBendtrans-128.7151.1176.477.8-172.9177.5-155.62.4111.7L261 H277 Q288 G289 G290R259-L261 WeakPolarHBondContact O-CD2 3.36Å; R259-H277 PolarHBondContact O-CE1 3.35Å; R259-H277 PolarHBondContact O-NE2 2.65Å; R259-Q288 HydrophobicContact CG-CG 3.95Å; R259-Q288 PolarHBondContact NH2-O 3.47Å; R259-G289 WeakPolarHBondContact CD-O 3.44Å; R259-G289 PolarHBondContact NE-O 2.67Å; R259-G289 PolarHBondContact NH2-O 3.41Å; R259-G290 VanDerWaalsContact NH2-CA 3.29Å
260H81.4Confident68.3Low94 Ų9474.3 Ų74.344%0.43542%0.422SS..  trans-49.9139.1179.4-68.8-133.4000111I269 Y270H260-I269 HydrophobicContact CB-CG2 3.92Å; H260-Y270 WeakPolarHBondContact CA-O 3.5Å
261L78.9Confident69.8Low1 Ų170.6 Ų70.61%0.00541%0.407CS..EExtended strand (participates in β ladder)trans-104131.1-178-51.8174.7000109.7R259 I269 Y270 A280 L281 F286 Q288R259-L261 WeakPolarHBondContact O-CD2 3.36Å; L261-I269 CarbonylContact O-C 3.54Å; L261-I269 WeakPolarHBondContact O-CA 3.46Å; L261-Y270 PolarHBondContact N-O 2.94Å; L261-Y270 PolarHBondContact O-N 3.49Å; L261-A280 HydrophobicContact CD1-CB 3.71Å; L261-L281 HydrophobicContact CD1-CD2 3.6Å; L261-L281 HydrophobicContact CD1-CG 3.9Å; L261-L281 HydrophobicContact CD2-CD2 3.59Å; L261-L281 HydrophobicContact CG-CD2 4.24Å; L261-F286 HydrophobicContact CB-CB 4.19Å; L261-Q288 HydrophobicContact CD2-CB 4.35Å; L261-Q288 HydrophobicContact CD2-CG 4.27Å; L261-Q288 VanDerWaalsContact CD2-NE2 3.31Å
262E79.1Confident70.9Confident93 Ų9371 Ų7144%0.43540%0.399SS..EExtended strand (participates in β ladder)trans-111.6133.2-172.7-62.7176.3167.300109.2I269 F286 F287E262-I269 HydrophobicContact CG-CG1 4.38Å; E262-F286 WeakPolarHBondContact O-CA 3.47Å; E262-F287 PolarHBondContact N-O 3.14Å; E262-F287 PolarHBondContact O-N 3.39Å
263S81Confident72.1Confident16 Ų1668.8 Ų68.811%0.11239%0.385CS..EExtended strand (participates in β ladder)trans-62.3149.3175.1171.10000111.3G265 G266 E268 I285S263-G265 PolarHBondContact O-N 3.31Å; S263-G265 PolarHBondContact OG-N 3.41Å; S263-G266 PolarHBondContact O-N 2.95Å; S263-E268 PolarHBondContact N-O 2.82Å; S263-I285 CarbonylContact C-O 3.45Å; S263-I285 VanDerWaalsContact CA-O 3.31Å; S263-I285 WeakPolarHBondContact CA-O 3.41Å
264C64.8Low72.6Confident77 Ų7768.3 Ų68.352%0.5238%0.383SS..THydrogen-bonded Turntrans-47.6-26.3169.5-66.20000114I285 F287C264-I285 PolarHBondContact N-O 3.18Å; C264-I285 PolarHBondContact SG-O 3.4Å; C264-F287 HydrophobicContact CB-CE2 4.32Å; C264-F287 WeakPolarHBondContact SG-CE2 3.4Å
265G69.8Low73Confident56 Ų5669.6 Ų69.658%0.57740%0.395SS*.THydrogen-bonded Turntrans-97.30177.500000115.5S263 T267S263-G265 PolarHBondContact O-N 3.31Å; S263-G265 PolarHBondContact OG-N 3.41Å; G265-T267 PolarHBondContact O-N 3.05Å; G265-T267 VanDerWaalsContact O-N 3.09Å
266G68Low73.1Confident56 Ų5670 Ų7058%0.57739%0.391SS*.SBendtrans67.2-0.3-173.800000115.3S263S263-G266 PolarHBondContact O-N 2.95Å
267T71.7Confident73.7Confident114 Ų11466.6 Ų66.670%0.69938%0.376SS*.SBendtrans-81.1-17.4-172.852.40000114.9G265G265-T267 PolarHBondContact O-N 3.05Å; G265-T267 VanDerWaalsContact O-N 3.09Å
268E76.6Confident74Confident95 Ų9565.9 Ų65.944%0.44437%0.374SS..  trans-136.2130.1-176-66.7174.2-151.600109.4S263 Y270 F286S263-E268 PolarHBondContact N-O 2.82Å; E268-Y270 HydrophobicContact CB-CE2 4.26Å; E268-F286 HydrophobicContact CB-CE1 4.14Å
269I81.6Confident74.1Confident96 Ų9666.6 Ų66.649%0.49238%0.383SS..EExtended strand (participates in β ladder)trans-122.1119.2176-54.3-179.6000107.8H260 L261 E262 P271H260-I269 HydrophobicContact CB-CG2 3.92Å; L261-I269 CarbonylContact O-C 3.54Å; L261-I269 WeakPolarHBondContact O-CA 3.46Å; E262-I269 HydrophobicContact CG-CG1 4.38Å; I269-P271 WeakPolarHBondContact O-CD 3.43Å
270Y77.6Confident74.3Confident77 Ų7762.3 Ų62.330%0.30237%0.369SS..EExtended strand (participates in β ladder)trans-94108.6176.5-81.4-105.2000109.4H260 L261 E268 A280 F286H260-Y270 WeakPolarHBondContact CA-O 3.5Å; L261-Y270 PolarHBondContact N-O 2.94Å; L261-Y270 PolarHBondContact O-N 3.49Å; E268-Y270 HydrophobicContact CB-CE2 4.26Å; Y270-A280 HydrophobicContact CD1-CB 4.32Å; Y270-A280 HydrophobicContact CG-CB 4.29Å; Y270-F286 AromaticContact CD2-CD1 3.99Å; Y270-F286 HydrophobicContact CD2-CD1 3.99Å; Y270-F286 AromaticContact CD2-CE1 3.4Å; Y270-F286 HydrophobicContact CD2-CE1 3.4Å; Y270-F286 HydrophobicContact CD2-CE2 4.44Å; Y270-F286 AromaticContact CD2-CZ 3.68Å; Y270-F286 HydrophobicContact CD2-CZ 3.68Å; Y270-F286 HydrophobicContact CE2-CD1 4.41Å; Y270-F286 AromaticContact CE2-CE1 3.44Å; Y270-F286 HydrophobicContact CE2-CE1 3.44Å; Y270-F286 VanDerWaalsContact CE2-CE1 3.44Å; Y270-F286 HydrophobicContact CE2-CE2 4.09Å; Y270-F286 AromaticContact CE2-CZ 3.26Å; Y270-F286 HydrophobicContact CE2-CZ 3.26Å
271P75.4Confident73.8Confident67 Ų6759.5 Ų59.544%0.43536%0.356SS..  trans-69.5155.7-175.828.6-35.1000112.6I269 S274 H277I269-P271 WeakPolarHBondContact O-CD 3.43Å; P271-S274 PolarHBondContact O-OG 3.38Å; P271-H277 PolarHBondContact O-ND1 2.91Å
272Y75.3Confident73.3Confident74 Ų7463.5 Ų63.529%0.2938%0.375SS..SBendtrans-105.3139.8170.4-176.8-95.9000109.7E30 Q258 H277E30-Y272 VanDerWaalsContact OE1-CE2 3.26Å; E30-Y272 WeakPolarHBondContact OE1-CE2 3.4Å; Q258-Y272 HydrophobicContact CB-CD1 4.39Å; Q258-Y272 HydrophobicContact CB-CE1 4.09Å; Q258-Y272 HydrophobicContact CB-CE2 4.5Å; Q258-Y272 HydrophobicContact CG-CE1 4.35Å; Q258-Y272 HydrophobicContact CG-CE2 4.39Å; Y272-H277 AromaticContact CD2-CD2 3.84Å; Y272-H277 AromaticContact CD2-CE1 3.86Å; Y272-H277 AromaticContact CD2-NE2 3.77Å
273P73.6Confident73.2Confident78 Ų7860.7 Ų60.751%0.50637%0.366SS..SBendcis-80.1147.9-10.433.7-34000111.7
274S68.6Low72.7Confident23 Ų2364.2 Ų64.216%0.16139%0.388CS..  trans-152.5144.5168.7580000111.4P271 L276 H277P271-S274 PolarHBondContact O-OG 3.38Å; S274-L276 PolarHBondContact O-N 3.38Å; S274-H277 WeakPolarHBondContact O-CB 3.44Å; S274-H277 PolarHBondContact O-N 2.89Å
275P67.9Low73.2Confident85 Ų8565 Ų6555%0.55239%0.386SS*.THydrogen-bonded Turntrans-59.1-22.7-179.6-25.333.9000114.5L31 L34L31-P275 HydrophobicContact CD2-CB 4.02Å; L34-P275 HydrophobicContact CD1-CG 4.17Å
276L70.9Confident73.3Confident105 Ų10563.8 Ų63.855%0.5537%0.365SS..THydrogen-bonded Turntrans-88.5-7.9176.8-60.8178.9000113.3S274 A278 V279 A280S274-L276 PolarHBondContact O-N 3.38Å; L276-A278 PolarHBondContact O-N 3.04Å; L276-V279 WeakPolarHBondContact O-CA 3.49Å; L276-V279 WeakPolarHBondContact O-CB 3.31Å; L276-V279 PolarHBondContact O-N 2.98Å; L276-A280 PolarHBondContact O-N 3.02Å
277H79.2Confident73.2Confident0 Ų067.4 Ų67.40%037%0.365CS..Hα-helixtrans-55.2-50.3-177.5-164.185.4000111.4R259 P271 Y272 S274 V279 A280 L281R259-H277 PolarHBondContact O-CE1 3.35Å; R259-H277 PolarHBondContact O-NE2 2.65Å; P271-H277 PolarHBondContact O-ND1 2.91Å; Y272-H277 AromaticContact CD2-CD2 3.84Å; Y272-H277 AromaticContact CD2-CE1 3.86Å; Y272-H277 AromaticContact CD2-NE2 3.77Å; S274-H277 WeakPolarHBondContact O-CB 3.44Å; S274-H277 PolarHBondContact O-N 2.89Å; H277-V279 PolarHBondContact O-N 3.33Å; H277-A280 WeakPolarHBondContact O-CB 3.2Å; H277-A280 PolarHBondContact O-N 3.12Å; H277-L281 WeakPolarHBondContact O-CG 3.47Å; H277-L281 PolarHBondContact O-N 3.07Å
278A69.8Low72.9Confident7 Ų764 Ų646%0.05834%0.342CS..Hα-helixtrans-70.6-14.717800000115.2L276 Q282L276-A278 PolarHBondContact O-N 3.04Å; A278-Q282 WeakPolarHBondContact O-CG 3.4Å; A278-Q282 PolarHBondContact O-NE2 2.67Å
279V73Confident71.7Confident89 Ų8960.9 Ų60.954%0.53934%0.335SS..Hα-helixtrans-82.5-42.1170.5-1760000109.6L276 H277 L281 Q282 S283L276-V279 WeakPolarHBondContact O-CA 3.49Å; L276-V279 WeakPolarHBondContact O-CB 3.31Å; L276-V279 PolarHBondContact O-N 2.98Å; H277-V279 PolarHBondContact O-N 3.33Å; V279-L281 VanDerWaalsContact C-N 3.33Å; V279-L281 PolarHBondContact O-N 3.28Å; V279-Q282 PolarHBondContact O-N 2.86Å; V279-Q282 VanDerWaalsContact O-N 3.09Å; V279-S283 PolarHBondContact O-N 3.07Å
280A76.3Confident70Confident6 Ų658.9 Ų58.95%0.0534%0.337CS..Hα-helixtrans-60-40.1171.900000111.7L261 Y270 L276 H277 Q282 S283 F286L261-A280 HydrophobicContact CD1-CB 3.71Å; Y270-A280 HydrophobicContact CD1-CB 4.32Å; Y270-A280 HydrophobicContact CG-CB 4.29Å; L276-A280 PolarHBondContact O-N 3.02Å; H277-A280 WeakPolarHBondContact O-CB 3.2Å; H277-A280 PolarHBondContact O-N 3.12Å; A280-Q282 PolarHBondContact O-N 2.97Å; A280-Q282 VanDerWaalsContact O-N 3.09Å; A280-S283 WeakPolarHBondContact O-CB 3.49Å; A280-S283 PolarHBondContact O-N 2.89Å; A280-F286 HydrophobicContact CB-CD2 3.91Å; A280-F286 HydrophobicContact CB-CE2 4.46Å; A280-F286 HydrophobicContact CB-CG 4.2Å
281L70.5Confident68.2Low34 Ų3464.3 Ų64.318%0.17837%0.366CS..THydrogen-bonded Turntrans-54.9-25.3172.2-70.5-177.9000114.7A23 F257 L261 H277 V279A23-L281 HydrophobicContact CB-CB 4.1Å; A23-L281 HydrophobicContact CB-CD1 4.2Å; F257-L281 HydrophobicContact CB-CD1 4.22Å; F257-L281 HydrophobicContact CD1-CD1 3.66Å; F257-L281 HydrophobicContact CD1-CD2 4.03Å; F257-L281 HydrophobicContact CE1-CD1 4.33Å; F257-L281 HydrophobicContact CG-CD1 4.19Å; L261-L281 HydrophobicContact CD1-CD2 3.6Å; L261-L281 HydrophobicContact CD1-CG 3.9Å; L261-L281 HydrophobicContact CD2-CD2 3.59Å; L261-L281 HydrophobicContact CG-CD2 4.24Å; H277-L281 WeakPolarHBondContact O-CG 3.47Å; H277-L281 PolarHBondContact O-N 3.07Å; V279-L281 VanDerWaalsContact C-N 3.33Å; V279-L281 PolarHBondContact O-N 3.28Å
282Q69.9Low66.2Low86 Ų8669.2 Ų69.240%0.40239%0.388SS..THydrogen-bonded Turntrans-89.6-20.1-179.1-65.5172.64200112.6A278 V279 A280A278-Q282 WeakPolarHBondContact O-CG 3.4Å; A278-Q282 PolarHBondContact O-NE2 2.67Å; V279-Q282 PolarHBondContact O-N 2.86Å; V279-Q282 VanDerWaalsContact O-N 3.09Å; A280-Q282 PolarHBondContact O-N 2.97Å; A280-Q282 VanDerWaalsContact O-N 3.09Å
283S76.2Confident64.3Low33 Ų3369 Ų6923%0.23141%0.408CS..SBendtrans-77.1129.6-179.9176.10000110.9V279 A280 I285 F286V279-S283 PolarHBondContact O-N 3.07Å; A280-S283 WeakPolarHBondContact O-CB 3.49Å; A280-S283 PolarHBondContact O-N 2.89Å; S283-I285 PolarHBondContact O-N 3.17Å; S283-I285 PolarHBondContact OG-N 3.29Å; S283-F286 PolarHBondContact O-N 3.13Å
284P70.8Confident62.1Low91 Ų9174 Ų7459%0.59142%0.422SS*.THydrogen-bonded Turntrans-63.8-2.8174.2-20.533000115.2
285I74.9Confident60.3Low93 Ų9379.8 Ų79.848%0.47745%0.45SS..THydrogen-bonded Turntrans-90.7-19.3-177-55.1173.4000111.4S263 C264 S283S263-I285 CarbonylContact C-O 3.45Å; S263-I285 VanDerWaalsContact CA-O 3.31Å; S263-I285 WeakPolarHBondContact CA-O 3.41Å; C264-I285 PolarHBondContact N-O 3.18Å; C264-I285 PolarHBondContact SG-O 3.4Å; S283-I285 PolarHBondContact O-N 3.17Å; S283-I285 PolarHBondContact OG-N 3.29Å
286F72.1Confident58.4Low30 Ų3081.6 Ų81.613%0.13246%0.459CS..EExtended strand (participates in β ladder)trans-108.9124.6-177.8-65.3-74000111.4L261 E262 E268 Y270 A280 S283L261-F286 HydrophobicContact CB-CB 4.19Å; E262-F286 WeakPolarHBondContact O-CA 3.47Å; E268-F286 HydrophobicContact CB-CE1 4.14Å; Y270-F286 AromaticContact CD2-CD1 3.99Å; Y270-F286 HydrophobicContact CD2-CD1 3.99Å; Y270-F286 AromaticContact CD2-CE1 3.4Å; Y270-F286 HydrophobicContact CD2-CE1 3.4Å; Y270-F286 HydrophobicContact CD2-CE2 4.44Å; Y270-F286 AromaticContact CD2-CZ 3.68Å; Y270-F286 HydrophobicContact CD2-CZ 3.68Å; Y270-F286 HydrophobicContact CE2-CD1 4.41Å; Y270-F286 AromaticContact CE2-CE1 3.44Å; Y270-F286 HydrophobicContact CE2-CE1 3.44Å; Y270-F286 VanDerWaalsContact CE2-CE1 3.44Å; Y270-F286 HydrophobicContact CE2-CE2 4.09Å; Y270-F286 AromaticContact CE2-CZ 3.26Å; Y270-F286 HydrophobicContact CE2-CZ 3.26Å; A280-F286 HydrophobicContact CB-CD2 3.91Å; A280-F286 HydrophobicContact CB-CE2 4.46Å; A280-F286 HydrophobicContact CB-CG 4.2Å; S283-F286 PolarHBondContact O-N 3.13Å
287F65.9Low56.3Low132 Ų13286.4 Ų86.458%0.57948%0.476SS*.EExtended strand (participates in β ladder)trans-102.3148.1171.7-65.8-55000111.1E262 C264 G289E262-F287 PolarHBondContact N-O 3.14Å; E262-F287 PolarHBondContact O-N 3.39Å; C264-F287 HydrophobicContact CB-CE2 4.32Å; C264-F287 WeakPolarHBondContact SG-CE2 3.4Å; F287-G289 PolarHBondContact O-N 3.17Å
288Q65.2Low53.9Low44 Ų4494.4 Ų94.421%0.20651%0.514CS..EExtended strand (participates in β ladder)trans-83.897.8176.1-162.313578.700106.8K256 R259 L261 G290K256-Q288 VanDerWaalsContact C-CD 3.43Å; K256-Q288 VanDerWaalsContact O-CG 3.26Å; K256-Q288 WeakPolarHBondContact O-CG 3.36Å; K256-Q288 PolarHBondContact O-NE2 3.38Å; K256-Q288 PolarHBondContact O-OE1 3.24Å; R259-Q288 HydrophobicContact CG-CG 3.95Å; R259-Q288 PolarHBondContact NH2-O 3.47Å; L261-Q288 HydrophobicContact CD2-CB 4.35Å; L261-Q288 HydrophobicContact CD2-CG 4.27Å; L261-Q288 VanDerWaalsContact CD2-NE2 3.31Å; Q288-G290 PolarHBondContact O-N 3.35Å
289G51.8Low51.7Low29 Ų29103.7 Ų103.730%0.29956%0.556SS.*  trans-53.7107.7-171.400000113.2R259 F287R259-G289 WeakPolarHBondContact CD-O 3.44Å; R259-G289 PolarHBondContact NE-O 2.67Å; R259-G289 PolarHBondContact NH2-O 3.41Å; F287-G289 PolarHBondContact O-N 3.17Å
290G46Very low49.6Very low53 Ų53103 Ų10355%0.54657%0.567SS.*  trans-119.495.8-167.800000112.9R259 Q288 D292R259-G290 VanDerWaalsContact NH2-CA 3.29Å; Q288-G290 PolarHBondContact O-N 3.35Å; G290-D292 PolarHBondContact O-N 2.85Å
291E38Very low47.2Very low192 Ų192107.7 Ų107.790%0.89759%0.588SS**  trans-75.787.8171.9-66.4-162.2169.500112G293E291-G293 PolarHBondContact O-N 3.35Å; E291-G293 VanDerWaalsContact O-N 3.08Å
292D34.8Very low45Very low170 Ų170108.7 Ų108.791%0.90961%0.607SS**  trans-75.775.9150.2-91.4-41.6000108.3G290 K294G290-D292 PolarHBondContact O-N 2.85Å; D292-K294 PolarHBondContact O-N 2.95Å
293G34.8Very low43Very low68 Ų68108.3 Ų108.370%0.70162%0.618SS**  trans-6994.5-172.900000113.7E291E291-G293 PolarHBondContact O-N 3.35Å; E291-G293 VanDerWaalsContact O-N 3.08Å
294K27.5Very low40.6Very low184 Ų184112.2 Ų112.280%0.865%0.645SS**  trans-149.3106.2154.6-127.6-177.4-176.6-175.20116.4D292D292-K294 PolarHBondContact O-N 2.95Å
295L30.1Very low38.5Very low144 Ų144113.4 Ų113.475%0.75466%0.656SS**  trans62.2108.5149.3-65.6166.9000118.8
296V28.5Very low36.1Very low123 Ų123115 Ų11575%0.74567%0.666SS**  trans-6.3124.8132.5-179.30000114.6
297F26.1Very low33.8Very low207 Ų207119.9 Ų119.991%0.90870%0.701SS**  trans-134.1108.1145.6-122.7-84.7000109.8
298Q30.2Very low31.9Very low168 Ų168123.2 Ų123.279%0.78571%0.712SS**  trans-84.2135.3171.5-172.1173.911.700108.1G300Q298-G300 PolarHBondContact O-N 3.2Å
299E23.8Very low30Very low201 Ų201127.7 Ų127.794%0.93974%0.737SS**  trans-74.2108.9-177.5-168.2174.7-177.900110.5
300G27.2Very low29Very low75 Ų75132 Ų13277%0.77376%0.763SS**  trans-141.2142178.200000110.2Q298Q298-G300 PolarHBondContact O-N 3.2Å
301Q27.1Very low28.4Very low104 Ų104137 Ų13749%0.48678%0.776SS.*  trans-128.3126.2-160.6-176179.7-600112.4S619Q301-S619 WeakPolarHBondContact CG-OG 3.34Å; Q301-S619 PolarHBondContact O-OG 2.94Å
302G24.8Very low28.1Very low56 Ų56136.1 Ų136.158%0.57777%0.772SS**  trans-158151.5172.200000109.5
303A27.2Very low27.9Very low78 Ų78136.6 Ų136.665%0.64577%0.771SS**  trans-139.4169.2-16700000113.9
304S25.6Very low27.7Very low115 Ų115137.1 Ų137.180%0.80478%0.776SS**  trans72.4107165.4-171.80000118.4
305S27.3Very low27.9Very low116 Ų116138.7 Ų138.781%0.81178%0.778SS**  -150.3147.8103.2-165.80000110.7
306N25.1Very low28Very low127 Ų127140 Ų14068%0.67978%0.778SS**  trans-97.2140.1176.4-69.4-68.2000110.3Y308N306-Y308 HydrophobicContact CB-CD2 4.42Å
307C23.4Very low28.5Very low131 Ų131142.5 Ų142.589%0.88579%0.787SS**  trans-137.6106.6150.4-168.80000108.3
308Y25.9Very low29.3Very low203 Ų203141.9 Ų141.980%0.79678%0.784SS**  trans-87.8123.3163.2-73.1-110.8000106.6N306N306-Y308 HydrophobicContact CB-CD2 4.42Å
309D25.8Very low30.2Very low137 Ų137139.8 Ų139.873%0.73379%0.788SS**  165.6121.8100.8-169.416.1000111.6
310S29.5Very low31.5Very low120 Ų120135 Ų13584%0.83977%0.768SS**  trans179.1120.6154.7-83.90000108.8
311L34.3Very low33.1Very low158 Ų158133 Ų13383%0.82775%0.747SS**  trans-90.1158.9-179.4-73166.6000112.8
312Q31.1Very low34.8Very low173 Ų173136.9 Ų136.981%0.80876%0.759SS**  trans95.5145.6161.6-49.7-161.945.600119.8
313M30Very low36.9Very low181 Ų181140 Ų14089%0.89276%0.761SS**  trans69.4145.1168.6-52-52.3-82.200119.3
314G30.6Very low38.9Very low78 Ų78139.5 Ų139.580%0.80475%0.748SS**  trans107.821.6158.300000119.8K316G314-K316 PolarHBondContact O-N 3.44Å
315Y32Very low41.3Very low218 Ų218139.3 Ų139.386%0.85573%0.732SS**  trans-66.9123.4179.5-93.1-59.1000114.6
316K32.8Very low43.5Very low170 Ų170138.1 Ų138.174%0.73972%0.717SS**  trans77.981.1149.7-54.7159.8-173.1171.50119.1G314G314-K316 PolarHBondContact O-N 3.44Å
317N39.8Very low45.5Very low176 Ų176136.7 Ų136.794%0.94171%0.708SS**  trans-90.584.3143.9-84.5-16.3000110.2
318K42.4Very low47.5Very low194 Ų194136.2 Ų136.284%0.84369%0.693SS**  trans-143.7117.8172.7-70.1-168.6178.6-176.50112
319S48.3Very low49Very low125 Ų125134.9 Ų134.987%0.87469%0.687SS**  trans5584169.8-150.80000116.7G321S319-G321 PolarHBondContact O-N 3.12Å
320L51.9Low50.4Low100 Ų100132.6 Ų132.652%0.52468%0.678SS.*  trans-64.8119.8173.2-161.580.8000110.9D324 K325L320-D324 HydrophobicContact CD1-CB 3.9Å; L320-D324 WeakPolarHBondContact CD1-OD2 3.39Å; L320-D324 HydrophobicContact CD2-CB 4Å; L320-D324 HydrophobicContact CG-CB 3.63Å; L320-K325 WeakPolarHBondContact O-CE 3.49Å
321G60Low51.7Low32 Ų32132.3 Ų132.333%0.3367%0.666SS.*  trans-74.4168.8-16600000114.7S319 I323 D324 K325S319-G321 PolarHBondContact O-N 3.12Å; G321-I323 PolarHBondContact O-N 3.4Å; G321-D324 PolarHBondContact N-OD2 2.82Å; G321-D324 PolarHBondContact O-N 3.04Å; G321-K325 WeakPolarHBondContact O-CG 3.46Å; G321-K325 PolarHBondContact O-N 3.41Å
322Y63.4Low52.6Low186 Ų186128.2 Ų128.273%0.72965%0.65SS**Hα-helixtrans-56.8-33.5172177.2-97.2000112.2K325 L326Y322-K325 CarbonylContact O-C 3.6Å; Y322-K325 PolarHBondContact O-N 2.89Å; Y322-L326 PolarHBondContact O-N 2.87Å
323I68.6Low53.5Low121 Ų121128.1 Ų128.162%0.62165%0.648SS**Hα-helixtrans-64.5-47.9179.4-60.1172.8000111G321 K325 L326 L327G321-I323 PolarHBondContact O-N 3.4Å; I323-K325 VanDerWaalsContact C-N 3.31Å; I323-K325 PolarHBondContact O-N 3.4Å; I323-L326 WeakPolarHBondContact O-CA 3.31Å; I323-L326 WeakPolarHBondContact O-CB 3.42Å; I323-L326 PolarHBondContact O-N 3.2Å; I323-L327 HydrophobicContact CG2-CD1 4.06Å; I323-L327 HydrophobicContact CG2-CG 4.46Å; I323-L327 WeakPolarHBondContact O-CG 3.42Å; I323-L327 PolarHBondContact O-N 3.46Å
324D69.1Low54.4Low69 Ų69123.3 Ų123.337%0.36963%0.632SS.*Hα-helixtrans-61.5-40.8175-62.1-46.3000111.6L320 G321 L326 L327 Q328L320-D324 HydrophobicContact CD1-CB 3.9Å; L320-D324 WeakPolarHBondContact CD1-OD2 3.39Å; L320-D324 HydrophobicContact CD2-CB 4Å; L320-D324 HydrophobicContact CG-CB 3.63Å; G321-D324 PolarHBondContact N-OD2 2.82Å; G321-D324 PolarHBondContact O-N 3.04Å; D324-L326 PolarHBondContact O-N 2.92Å; D324-L327 PolarHBondContact O-N 3.38Å; D324-Q328 WeakPolarHBondContact O-CB 3.43Å; D324-Q328 PolarHBondContact O-N 2.92Å
325K75.9Confident55.3Low110 Ų110127 Ų12748%0.47863%0.628SS.*Hα-helixtrans-68.2-12.3176.8-65.2179.7-174.9-1780113.6L320 G321 Y322 I323 R329L320-K325 WeakPolarHBondContact O-CE 3.49Å; G321-K325 WeakPolarHBondContact O-CG 3.46Å; G321-K325 PolarHBondContact O-N 3.41Å; Y322-K325 CarbonylContact O-C 3.6Å; Y322-K325 PolarHBondContact O-N 2.89Å; I323-K325 VanDerWaalsContact C-N 3.31Å; I323-K325 PolarHBondContact O-N 3.4Å; K325-R329 WeakPolarHBondContact O-CG 3.33Å; K325-R329 PolarHBondContact O-NH1 3Å
326L73.6Confident56.1Low92 Ų92122.5 Ų122.548%0.48262%0.618SS.*Hα-helixtrans-92.3-47.9170.4-172.865.1000110.7Y322 I323 D324 Q328 R329 T330Y322-L326 PolarHBondContact O-N 2.87Å; I323-L326 WeakPolarHBondContact O-CA 3.31Å; I323-L326 WeakPolarHBondContact O-CB 3.42Å; I323-L326 PolarHBondContact O-N 3.2Å; D324-L326 PolarHBondContact O-N 2.92Å; L326-Q328 VanDerWaalsContact C-N 3.33Å; L326-Q328 PolarHBondContact O-N 3.45Å; L326-R329 WeakPolarHBondContact O-CB 3.21Å; L326-R329 PolarHBondContact O-N 2.89Å; L326-R329 VanDerWaalsContact O-N 3.11Å; L326-T330 PolarHBondContact O-N 3.46Å; L326-T330 PolarHBondContact O-OG1 2.97Å
327L67.5Low56.7Low96 Ų96121.6 Ų121.650%0.50362%0.621SS.*Hα-helixtrans-58.2-43.1176.4-70.5171.2000112.3I323 D324 R329 T330 L331I323-L327 HydrophobicContact CG2-CD1 4.06Å; I323-L327 HydrophobicContact CG2-CG 4.46Å; I323-L327 WeakPolarHBondContact O-CG 3.42Å; I323-L327 PolarHBondContact O-N 3.46Å; D324-L327 PolarHBondContact O-N 3.38Å; L327-R329 VanDerWaalsContact C-N 3.31Å; L327-R329 PolarHBondContact O-N 3.27Å; L327-T330 WeakPolarHBondContact CA-OG1 3.37Å; L327-T330 PolarHBondContact O-N 2.94Å; L327-T330 PolarHBondContact O-OG1 3.04Å; L327-L331 WeakPolarHBondContact O-CG 3.5Å; L327-L331 PolarHBondContact O-N 3.46Å
328Q65.6Low56.9Low121 Ų121117.1 Ų117.157%0.56561%0.608SS**Hα-helixtrans-65.4-33.8177.4-163.8164.961.200111.9D324 L326 L331 S332D324-Q328 WeakPolarHBondContact O-CB 3.43Å; D324-Q328 PolarHBondContact O-N 2.92Å; L326-Q328 VanDerWaalsContact C-N 3.33Å; L326-Q328 PolarHBondContact O-N 3.45Å; Q328-L331 PolarHBondContact O-N 3.18Å; Q328-S332 PolarHBondContact O-N 2.88Å; Q328-S332 PolarHBondContact O-OG 3.24Å; Q328-S332 VanDerWaalsContact O-OG 3.1Å
329R57.7Low56.8Low176 Ų176113.2 Ų113.266%0.66461%0.605SS**Hα-helixtrans-68.6-36.9172.2-81.7-179.8171.778.10.7113K325 L326 L327 K333K325-R329 WeakPolarHBondContact O-CG 3.33Å; K325-R329 PolarHBondContact O-NH1 3Å; L326-R329 WeakPolarHBondContact O-CB 3.21Å; L326-R329 PolarHBondContact O-N 2.89Å; L326-R329 VanDerWaalsContact O-N 3.11Å; L327-R329 VanDerWaalsContact C-N 3.31Å; L327-R329 PolarHBondContact O-N 3.27Å; R329-K333 PolarHBondContact O-N 3.39Å
330T55.2Low56.4Low88 Ų88111.5 Ų111.554%0.5460%0.598SS.*Hα-helixtrans-66.2-39.8173.335.40000111.8L326 L327 K333 S334L326-T330 PolarHBondContact O-N 3.46Å; L326-T330 PolarHBondContact O-OG1 2.97Å; L327-T330 WeakPolarHBondContact CA-OG1 3.37Å; L327-T330 PolarHBondContact O-N 2.94Å; L327-T330 PolarHBondContact O-OG1 3.04Å; T330-K333 PolarHBondContact O-N 3.42Å; T330-S334 PolarHBondContact O-N 3.29Å; T330-S334 PolarHBondContact O-OG 3.17Å
331L56Low55.5Low115 Ų115116.1 Ų116.160%0.60262%0.617SS**Hα-helixtrans-64.7-42.7176.9-70.6167.7000112.6L327 Q328 K333 S334L327-L331 WeakPolarHBondContact O-CG 3.5Å; L327-L331 PolarHBondContact O-N 3.46Å; Q328-L331 PolarHBondContact O-N 3.18Å; L331-K333 PolarHBondContact O-N 2.8Å; L331-S334 WeakPolarHBondContact CA-OG 3.46Å; L331-S334 PolarHBondContact O-N 3.25Å; L331-S334 PolarHBondContact O-OG 3.24Å
332S53.1Low54.4Low71 Ų71121.1 Ų121.150%0.49764%0.642SS.*Hα-helixtrans-62.2-25.5174.3-57.80000113.4Q328Q328-S332 PolarHBondContact O-N 2.88Å; Q328-S332 PolarHBondContact O-OG 3.24Å; Q328-S332 VanDerWaalsContact O-OG 3.1Å
333K50.7Low52.9Low172 Ų172118.6 Ų118.675%0.74865%0.646SS**Hα-helixtrans-83.1-23.7179.2-160.3172.7-177.4-177.30113.2R329 T330 L331R329-K333 PolarHBondContact O-N 3.39Å; T330-K333 PolarHBondContact O-N 3.42Å; L331-K333 PolarHBondContact O-N 2.8Å
334S49Very low51.2Low80 Ų80120.6 Ų120.656%0.55965%0.652SS**Hα-helixtrans-77.5-15.5172.537.70000114.4T330 L331T330-S334 PolarHBondContact O-N 3.29Å; T330-S334 PolarHBondContact O-OG 3.17Å; L331-S334 WeakPolarHBondContact CA-OG 3.46Å; L331-S334 PolarHBondContact O-N 3.25Å; L331-S334 PolarHBondContact O-OG 3.24Å
335Q49.2Very low49.4Very low154 Ų154123.6 Ų123.672%0.7267%0.667SS**SBendtrans-93.4-8.3-173.2-159.8167.88.600114.5
336I48.2Very low47.3Very low125 Ų125126.4 Ų126.464%0.64168%0.682SS**THydrogen-bonded Turntrans-86.7-21.8-178.7-64.4173.3000112.2A338I336-A338 VanDerWaalsContact C-N 3.34Å; I336-A338 PolarHBondContact O-N 3.32Å
337N45.8Very low45.1Very low150 Ų150128.8 Ų128.880%0.80270%0.695SS**THydrogen-bonded Turntrans-95.722.1-178.5-6621.3000112.8
338A44.2Very low43.5Very low82 Ų82130.7 Ų130.768%0.67870%0.704SS**SBendtrans-126.927.5-170.900000113.2I336I336-A338 VanDerWaalsContact C-N 3.34Å; I336-A338 PolarHBondContact O-N 3.32Å
339S39.1Very low41.8Very low113 Ų113131.6 Ų131.679%0.7971%0.713SS**SBendtrans-138.536-178.970.20000113
340A40.2Very low40.5Very low88 Ų88130.8 Ų130.873%0.72772%0.717SS**SBendtrans-135.1125.9171.200000109.7
341E34.5Very low39.3Very low197 Ų197136.9 Ų136.992%0.92173%0.73SS**  trans55.594.8158.9-63.2177.4161.900118.5
342T35.5Very low38Very low137 Ų137140.6 Ų140.684%0.8474%0.741SS**  trans-69.2133.6146.448.30000110.7
343V33.2Very low37.7Very low134 Ų134143 Ų14381%0.81276%0.755SS**  trans-172.6117.3131.8141.60000110.7
344E31.9Very low36.7Very low162 Ų162139.6 Ų139.676%0.75776%0.759SS**  trans46.7135.2146.6-56.8-137.311700125.8
345I32.4Very low35.9Very low133 Ų133144.1 Ų144.168%0.68277%0.771SS**  trans93.1120.2136.1-76.8163.4000121.7
346Q30.1Very low35Very low168 Ų168143.6 Ų143.679%0.78577%0.773SS**  trans60.598151.8-74177.5-19.800123.8
347D29.1Very low34.2Very low142 Ų142144.5 Ų144.576%0.75978%0.778SS**  72154.6102.4-111.2-43.6000125
348I33.3Very low33.3Very low136 Ų136144 Ų14470%0.69778%0.776SS**  trans71.991.8160.9-58.7156.4000119.1
349N29.8Very low32.4Very low140 Ų140146 Ų14675%0.74978%0.779SS**  37.8117.4125.9-54.5-56.1000121.5
350Q30.7Very low31.8Very low159 Ų159145.4 Ų145.474%0.74378%0.775SS**  170.3150.594.3-89.9-147.562.400116.8
351R30.1Very low31.1Very low217 Ų217150 Ų15082%0.81978%0.779SS**  trans56.299.8138.7-165.7170.4-68.1-161.9-4.8121.6
352K27.3Very low30.6Very low192 Ų192147.8 Ų147.884%0.83577%0.768SS**  trans-57.3173.8145.7-80.9-176.8179.9-179.60113.2
353P48.3Very low30.1Very low122 Ų122146.9 Ų146.979%0.79276%0.762SS**  cis-133.1175.5-26.435.9-19.5000113.4
354A29.8Very low29.8Very low100 Ų100144.1 Ų144.183%0.82675%0.749SS**  trans-152.1150150.100000113.3
355E31.1Very low29.6Very low175 Ų175143.3 Ų143.382%0.81875%0.745SS**  trans-49.4141.1172.1-76.9159.9153.200114.6
356N29.6Very low29.3Very low143 Ų143143.9 Ų143.977%0.76574%0.743SS**  84.613863.8-96.2-23.2000114.8
357I31.5Very low29Very low144 Ų144143.1 Ų143.174%0.73874%0.739SS**  trans87.3132.7154.7-66.3158.7000119.5
358N27Very low28.8Very low141 Ų141142.3 Ų142.375%0.75473%0.73SS**  trans66.4135.1168.7-66.6-12.3000120
359V26.4Very low28.5Very low123 Ų123144.5 Ų144.575%0.74573%0.731SS**  cis117.4130.47.41670000112.8
360S25.9Very low28.3Very low100 Ų100142.6 Ų142.670%0.69973%0.729SS**  trans73.8127.4170.6-65.30000117.5
361F24.9Very low28Very low185 Ų185143 Ų14381%0.81174%0.736SS**  58.412971.9-83.8-104.7000112.3
362E25.1Very low28Very low151 Ų151140 Ų14071%0.70673%0.734SS**  cis-170.1175.13.3-151.6-167.3148.100110.3
363V25Very low29.4Very low117 Ų117135.9 Ų135.971%0.70973%0.727SS**  trans70.7144.5159.81780000114.4
364S27.2Very low29.3Very low77 Ų77135.6 Ų135.654%0.53873%0.725SS.*  cis-158161.823.5-139.90000113.4
365Q27.8Very low29.5Very low145 Ų145139.4 Ų139.468%0.67873%0.726SS**  trans66.7154.5147.4-71.6167.378.400118.4
366K24.5Very low29.5Very low145 Ų145134.3 Ų134.363%0.6371%0.713SS**  cis-158.8156.4-1.3-130.2164.2-178.11550110.9
367H24.7Very low29.7Very low151 Ų151136.4 Ų136.470%0.69972%0.716SS**  trans49.5143.7146.9-69.9-3.4000119.4
368E24.4Very low29.6Very low125 Ų125135.5 Ų135.558%0.58471%0.712SS**  cis164.6-179.114-174.6176.9174.400104.9
369Y26.6Very low29.9Very low182 Ų182135.4 Ų135.471%0.71471%0.708SS**  trans68102.3168-61.3-67.8000122.3
370S25.9Very low30Very low100 Ų100136.2 Ų136.270%0.69971%0.708SS**  64.2137.2110.9-61.20000125
371L25.9Very low30.3Very low169 Ų169139.3 Ų139.389%0.88572%0.715SS**  trans88.5156.9145-72.6162.6000122.1
372I29.4Very low31.4Very low152 Ų152135.3 Ų135.378%0.77971%0.708SS**  trans-151.4159.5-166.3-60.7166.5000105.5
373P57.3Low31.5Very low107 Ų107134.6 Ų134.670%0.69571%0.714SS**  cis-116.9-145.4-17.828.6-4.5000110.6
374P46.2Very low31.6Very low116 Ų116136.3 Ų136.375%0.75372%0.719SS**  -152.4132.782.936.7-16000119.4
375Q33.8Very low31.6Very low179 Ų179135.7 Ų135.784%0.83673%0.725SS**  trans58.8169.1141.2-51.9-1592.600120.8
376A31.2Very low31.8Very low68 Ų68136.6 Ų136.656%0.56273%0.729SS**  cis-156.5150.711.600000115.6
377K33.8Very low32.1Very low187 Ų187137.2 Ų137.281%0.81373%0.734SS**  trans64.8152.4150.7-64.7165.3-175.8175.60116.8
378N29.1Very low32.4Very low125 Ų125136.6 Ų136.667%0.66874%0.736SS**  cis-168169.51.5-117.918000108.6
379Q32.6Very low32.7Very low140 Ų140140.7 Ų140.765%0.65475%0.746SS**  cis-165.6173.5-16.7-142.4-179.9-94.100109.3
380N29.2Very low32.9Very low139 Ų139138.7 Ų138.774%0.74375%0.748SS**  trans75.8129.6158.2-60.1-12.4000122.9
381L31.2Very low32.9Very low165 Ų165145 Ų14586%0.86476%0.756SS**  trans-102.9-166.8153.2-121.280000107.9
382P47.8Very low33Very low102 Ų102142.1 Ų142.166%0.66275%0.746SS**  cis-137.1-153.52.424.74.2000113.9
383V28.8Very low33Very low136 Ų136140.8 Ų140.882%0.82475%0.745SS**  trans83.3152.1155.1-1760000117.7
384N26.2Very low31.5Very low152 Ų152140.2 Ų140.281%0.81374%0.743SS**  cis-175.2136.1-46.8-174.827.1000108.6
385G28.3Very low30.6Very low65 Ų65140.4 Ų140.467%0.6775%0.748SS**  trans61.4-173.2169.600000116.1
386E30.9Very low30.3Very low164 Ų164138.4 Ų138.477%0.76674%0.743SS**  cis-161.8167.1-27.9-145.4-171.8-121.600109.4
387Q31.4Very low30.3Very low158 Ų158143.6 Ų143.674%0.73876%0.755SS**  trans68.3136.5165.9-60.9171.139.300116.6
388N29.6Very low30.1Very low138 Ų138142.1 Ų142.174%0.73875%0.751SS**  cis94.4140.330.5-166.811.6000113.7
389R32Very low30.2Very low211 Ų211144.2 Ų144.280%0.79676%0.762SS**  trans89.197.1171.7-64.8-173.5159.5177.4-5121.3
390N30.6Very low30.1Very low139 Ų139143.4 Ų143.474%0.74376%0.762SS**  50.9124.5108.3-50.3-3.6000121.3
391R25.3Very low30.1Very low232 Ų232143 Ų14388%0.87576%0.76SS**  -164.1121.8124.8-103.1-158163-168.8-6.1110.1
392T29.2Very low30.1Very low109 Ų109144.4 Ų144.467%0.66975%0.753SS**  60.613688.269.70000114.8
393V27.9Very low29.3Very low124 Ų124148.1 Ų148.175%0.75276%0.759SS**  cis-158.9157.48.5102.20000113.7
394S26.7Very low29.4Very low96 Ų96145.9 Ų145.967%0.67175%0.749SS**  trans25.8135.5157.7-47.80000124.1
395S26.6Very low29.6Very low120 Ų120147.6 Ų147.684%0.83975%0.752SS**  -144.2149.2117.3-168.90000109.9
396N28.6Very low29.5Very low137 Ų137152.6 Ų152.673%0.73376%0.758SS**  trans-132.1136.5-173.6-73.9-34.5000111.9
397Q29.6Very low29.4Very low177 Ų177149.1 Ų149.183%0.82775%0.752SS**  trans-166.3101150.3-148.696.972.100105.9
398E30.5Very low29.5Very low155 Ų155149.8 Ų149.872%0.72476%0.76SS**  48.5107.679.4-80.5-161.2110.400116.2
399L32Very low29.4Very low170 Ų170154.5 Ų154.589%0.8977%0.767SS**  -157151.7117.1-130.8142.3000111.4
400N29.8Very low29.2Very low123 Ų123147.8 Ų147.866%0.65876%0.764SS**  trans-88.5-174.4176.9-59.5-68.7000109.9
401D29.7Very low29.6Very low131 Ų131146.8 Ų146.870%0.70177%0.765SS**  cis-158.7167.919.3-148.2-10.3000115.5
402R31.2Very low29.6Very low193 Ų193144.5 Ų144.573%0.72876%0.764SS**  trans-16144.8170.9-79.6159.2175.4-161.2-2.3123.9
403K31.2Very low29.8Very low181 Ų181146.3 Ų146.379%0.78777%0.768SS**  trans74.2149.2134.2-75.1179.7178.8-170.60118.3
404S30.1Very low29.7Very low88 Ų88149.4 Ų149.462%0.61577%0.774SS**  cis-173141.6-8.544.40000111.7
405H30.4Very low29.7Very low188 Ų188150.4 Ų150.487%0.8778%0.78SS**  trans50.5150.1166.2-63.5-86.7000116.3
406E26Very low29.7Very low170 Ų170156.3 Ų156.379%0.79478%0.783SS**  cis-164.3-179.136-152.7176.8151.800109.9
407S29.3Very low29.9Very low91 Ų91160 Ų16064%0.63679%0.789SS**  trans23.1133.5150.7-72.80000121.5
408L33.5Very low30Very low173 Ų173157.1 Ų157.191%0.90679%0.788SS**  cis-151162.210-90.3135.5000109.7
409R26.6Very low29.9Very low237 Ų237159 Ų15989%0.89479%0.79SS**  trans-124.7113172.2-175.8-172.4-66.1-108.31.4111.3
410G27.9Very low29.6Very low70 Ų70163.2 Ų163.272%0.72279%0.794SS**  trans-102151.6160.100000110.5
411P39.8Very low29.5Very low118 Ų118161.4 Ų161.477%0.76680%0.796SS**  trans-119146.9-156.138.5-26.2000115.6
412E24.9Very low29.7Very low184 Ų184161.1 Ų161.186%0.8680%0.799SS**  trans-143.496.5154.4-131.6169.2-139.100112.4
413I33.4Very low30.3Very low146 Ų146159.8 Ų159.875%0.74980%0.803SS**  35.5113.5129.3-54.8168.2000117.4
414Q26.2Very low30.4Very low190 Ų190157.9 Ų157.989%0.88879%0.794SS**  trans-126.6107.2159.6-171.7178.923.900110.7
415C26.9Very low30.6Very low116 Ų116159.8 Ų159.878%0.78479%0.793SS**  trans-70.8133.9179.4-63.60000112.3
416R27.1Very low30.4Very low244 Ų244160.6 Ų160.692%0.92179%0.79SS**  trans-105.2136.1167.9-95.9-172.8170.5-174.4-2111.1
417Y31Very low30.6Very low215 Ų215157.3 Ų157.384%0.84379%0.786SS**  trans-73.6140.5160.8-98.8-104.9000110.4Y419Y417-Y419 HydrophobicContact CD1-CD1 4.3Å; Y417-Y419 HydrophobicContact CD1-CE1 4.1Å
418S32.8Very low30.9Very low116 Ų116157.4 Ų157.481%0.81179%0.787SS**  trans-159.3158.9147.964.10000110.7
419Y28.1Very low30.8Very low196 Ų196155.9 Ų155.977%0.76978%0.78SS**  trans-144.1134.8-170.625.6-107.5000110Y417Y417-Y419 HydrophobicContact CD1-CD1 4.3Å; Y417-Y419 HydrophobicContact CD1-CE1 4.1Å
420R25.4Very low31Very low258 Ų258152.7 Ų152.797%0.97478%0.775SS**  trans-162.1175.6155.3-125.9179.2176.1-173.1-3.3111.9
421A29Very low31.1Very low84 Ų84153.5 Ų153.569%0.69477%0.774SS**  trans-141.5155-155.600000114.1
422V32.7Very low30.6Very low125 Ų125152.2 Ų152.276%0.75877%0.768SS**  trans44.3117.6141.4-179.90000119.9
423M44.8Very low30.8Very low165 Ų165152 Ų15281%0.81377%0.767SS**  -137.5135.8125.4-68.8-60.6-81.700105.8
424K33.1Very low30.4Very low141 Ų141149.4 Ų149.461%0.61376%0.762SS**  64.3136.163.8-83.5-142.9172.8-1350114.2
425E32.8Very low30.5Very low128 Ų128145.9 Ų145.960%0.59875%0.753SS**  cis-173.9-174.2-14.4-152.1164.1-112.200109.2
426Y28.2Very low30.9Very low206 Ų206147.9 Ų147.981%0.80876%0.756SS**  trans70.3148.8174.6-83.1-109000116.7
427S29.7Very low31Very low101 Ų101142.6 Ų142.671%0.70675%0.751SS**  cis-151.9166.3-2.9-162.50000111.9
428S36.1Very low31.2Very low93 Ų93140.9 Ų140.965%0.6575%0.747SS**  trans-69.4178.7167.5-32.90000112.9
429D30.1Very low31Very low141 Ų141141.3 Ų141.375%0.75474%0.74SS**  cis-161.4177.123.5-131-38.5000116.3
430E31.8Very low31.1Very low170 Ų170138.9 Ų138.979%0.79474%0.741SS**  trans53.1108.8154.6-67.7-161.1122.700124.5
431A29.7Very low31.5Very low86 Ų86136 Ų13671%0.71174%0.735SS**  80.7146.3110.200000125.3
432S27.9Very low32.1Very low91 Ų91137.7 Ų137.764%0.63674%0.74SS**  trans80.4109142.6-70.60000123.7
433H29.6Very low31.8Very low180 Ų180140.7 Ų140.783%0.83374%0.742SS**  trans68.7161.4134.5-58.2-42.1000119
434S25.8Very low31Very low91 Ų91137.6 Ų137.664%0.63673%0.733SS**  cis-166.7160.6-24.3175.10000110.8
435T28.3Very low30.7Very low116 Ų116140.2 Ų140.271%0.71275%0.747SS**  trans44.6109.3151.3450000122.3
436L34.7Very low30.5Very low159 Ų159141.2 Ų141.283%0.83276%0.757SS**  26.7108.5112.6-173.577.2000119.5
437T30.3Very low30.5Very low133 Ų133136.7 Ų136.782%0.81676%0.762SS**  trans-143.5144.4138.7430000107.2
438K34.3Very low30.3Very low178 Ų178135.1 Ų135.177%0.77476%0.762SS**  cis86.6111.637.7-91.6-161.4171.6-178.50116.4
439N29.4Very low30.1Very low125 Ų125138.8 Ų138.867%0.66877%0.773SS**  trans86.2118.5144.6-69.642.1000121.8
440D28.7Very low30.1Very low146 Ų146139.5 Ų139.578%0.78178%0.776SS**  trans75.5147.1132.2-66.7-59.3000124
441K34.8Very low30Very low196 Ų196141.5 Ų141.585%0.85278%0.777SS**  trans-77.5161.3-175.6-55.1167.2177.9170.30111.2
442P40.9Very low29.9Very low121 Ų121142.9 Ų142.979%0.78677%0.772SS**  -145.1169.294.538.8-24.6000117
443K26.4Very low29.9Very low188 Ų188146.9 Ų146.982%0.81778%0.78SS**  trans-13.5152.9141-66.6176.1-177.4177.50116.3
444T28.6Very low29.9Very low100 Ų100143.3 Ų143.361%0.61378%0.775SS**  cis-173.5150.80.8-102.20000108.6N446T444-N446 WeakPolarHBondContact CG2-ND2 3.47Å
445E26.1Very low30.3Very low196 Ų196145.6 Ų145.692%0.91678%0.781SS**  trans-151159.6140.1-130.7165.7-150.900111.8
446N29.2Very low30.6Very low148 Ų148149.2 Ų149.279%0.79179%0.786SS**  trans-131.2125.3-166.5-64.7-81000113.4T444T444-N446 WeakPolarHBondContact CG2-ND2 3.47Å
447A27.7Very low30.2Very low111 Ų111148.4 Ų148.492%0.91778%0.783SS**  trans-169.3130145.500000108.6
448G27Very low30Very low69 Ų69147.7 Ų147.771%0.71178%0.782SS**  cis-179.5-161.1-5.600000110.9
449L30.4Very low29.6Very low169 Ų169142.8 Ų142.889%0.88578%0.782SS**  trans86.5138.7173.9-55.1168.1000118.6
450L31.2Very low29.4Very low156 Ų156145.5 Ų145.582%0.81779%0.791SS**  trans-6.7124.7177.1-61.780.6000118.2
451R28.2Very low29.5Very low213 Ų213143.6 Ų143.680%0.80478%0.784SS**  cis8684.134.7-158.9-175.7-149-115.95116.2
452N27.6Very low29.2Very low114 Ų114141.7 Ų141.761%0.6178%0.779SS**  trans61134.3142.4-42.7-4.4000118.1
453H28.9Very low28.7Very low175 Ų175143.2 Ų143.281%0.8178%0.777SS**  -166.214951.9-85.3-85.4000111.2
454S29Very low28.9Very low105 Ų105143.9 Ų143.973%0.73477%0.774SS**  trans-144164.1159-173.50000110.1
455D34.6Very low28.9Very low140 Ų140147.7 Ų147.775%0.74978%0.783SS**  trans87.597.5166.7-58.511.2000117.2
456K35.2Very low29Very low191 Ų191143.9 Ų143.983%0.8378%0.777SS**  trans-176.2145.3141.9-104.7157.6-173.11760113.5
457N26.2Very low28.7Very low142 Ų142144.2 Ų144.276%0.75977%0.774SS**  trans68.6158.2152.2-63.614000118.9
458C25.7Very low28.5Very low118 Ų118149 Ų14980%0.79777%0.768SS**  cis-170.7155.4-30-101.50000109
459G26.2Very low28.5Very low75 Ų75153.5 Ų153.577%0.77377%0.771SS**  trans82.9156.1168.700000114.9
460E25.4Very low28.4Very low183 Ų183156.3 Ų156.386%0.85577%0.77SS**  cis-146.2168.2-1.6-129.6-175.8170.700111.6
461T31.1Very low28.8Very low105 Ų105154.4 Ų154.464%0.64477%0.767SS**  trans12.4145.81586.60000121.1
462E28.4Very low28.7Very low156 Ų156149 Ų14973%0.72977%0.767SS**  cis-163.9147.321-170.7155.1-121.400114
463M29.9Very low29Very low154 Ų154150 Ų15076%0.75978%0.777SS**  trans51149.9160-76.9-156.1-163.700120.7
464R30.7Very low29.5Very low201 Ų201146 Ų14676%0.75877%0.767SS**  cis-154.6144.89.7-143.5172.9-178.1-153.65112.1
465K29.1Very low29.4Very low181 Ų181149.1 Ų149.179%0.78777%0.77SS**  trans39.4110.6153.7-75.7-175.9174.7-1710119.9
466S26.6Very low29Very low115 Ų115147.9 Ų147.980%0.80477%0.768SS**  trans-63.8156.2138.955.50000111.6
467H23.9Very low28.6Very low155 Ų155143.8 Ų143.872%0.71876%0.763SS**  175.9109129.4-168.787.6000113
468W23.7Very low28.7Very low211 Ų211142.2 Ų142.280%0.79976%0.763SS**  trans44.5153.3147.5-69.979.6000125.3
469Q27.4Very low29Very low164 Ų164141.4 Ų141.477%0.76676%0.755SS**  trans86.5110.4149.2-82.1174.691.200122.3
470R27.8Very low29Very low229 Ų229146.3 Ų146.386%0.86476%0.757SS**  trans-44.1140.2142.2172.2-170.9-60.5-134.44.9110.3
471P39.5Very low29.3Very low116 Ų116142.8 Ų142.875%0.75375%0.753SS**  -154.4-171.768.644.2-24.3000118.7
472A25.5Very low29.8Very low98 Ų98144 Ų14481%0.8176%0.762SS**  trans94.7133.3156.700000119.9
473V34.3Very low29.8Very low136 Ų136140 Ų14082%0.82476%0.764SS**  trans-105.2147.7166.3-170.10000102.8
474P38.3Very low29.9Very low92 Ų92142 Ų14260%0.59777%0.769SS**  -159.8-175.554.446.9-25.6000119.2
475Q28.2Very low30Very low170 Ų170138.9 Ų138.979%0.79476%0.763SS**  trans65.1164.1152.2-73.7163.5-7.500116.1
476T24.9Very low30.2Very low114 Ų114137.3 Ų137.370%0.69977%0.768SS**  cis-157.5174.3-13.312.20000109.2
477S28Very low30.5Very low105 Ų105139.5 Ų139.573%0.73477%0.765SS**  trans64.8131161.437.10000117
478S27.1Very low30.8Very low108 Ų108137.3 Ų137.376%0.75577%0.767SS**  cis89.4151.738.7-171.40000113.6
479T32.4Very low31.2Very low101 Ų101132.8 Ų132.862%0.6277%0.768SS**  trans9187.5156.4-46.60000117.2
480E27.2Very low31.5Very low178 Ų178132.9 Ų132.983%0.83277%0.768SS**  78142.1127.6-68.2160.8-158.700123.5
481S31.9Very low31.9Very low110 Ų110128.6 Ų128.677%0.76977%0.768SS**  trans-66.4-177.1168.653.50000113.8
482P41.5Very low31.5Very low129 Ų129130.4 Ų130.484%0.83877%0.771SS**  cis-135.9-179.98.838.7-18.7000116.5
483G27.2Very low32.1Very low74 Ų74130.5 Ų130.576%0.76377%0.766SS**  trans-166.4134.6172.300000113.4
484F33.6Very low32.4Very low195 Ų195129.4 Ų129.486%0.85576%0.761SS**  trans-66.5128.4-166.3-86-103.1000116.9
485E31.7Very low32.3Very low136 Ų136133.2 Ų133.264%0.63677%0.771SS**  31.1114.3118.6-171.2174.2-150.400120.3
486V33.1Very low33.1Very low148 Ų148133.5 Ų133.590%0.89777%0.77SS**  trans-138.7142139.6178.90000108.3
487Q33.2Very low34.4Very low160 Ų160134.2 Ų134.275%0.74877%0.774SS**  trans-91.3147.1-176.1-57.5172600112.6
488S30.4Very low35.4Very low109 Ų109137.1 Ų137.176%0.76278%0.776SS**  -176.7139.4126.455.50000114.6
489S31.1Very low36.6Very low117 Ų117136.3 Ų136.382%0.81878%0.776SS**  trans57.8113.4143.8-57.20000121.1
490H34.9Very low37.1Very low166 Ų166140.4 Ų140.477%0.76979%0.785SS**  trans-74.5142.3176.6-40.6-84.1000114.6
491T36.2Very low38.2Very low138 Ų138140.6 Ų140.685%0.84778%0.783SS**  trans-138.7100.8139.252.90000109.2S493T491-S493 PolarHBondContact O-N 3.1Å
492N31.4Very low39.4Very low154 Ų154141.1 Ų141.182%0.82478%0.782SS**  trans-88104.3-177.1-72.9-8.2000111.7
493S36.9Very low40.1Very low100 Ų100139.3 Ų139.370%0.69977%0.77SS**  trans-113.5119153.655.80000108.7T491 E495T491-S493 PolarHBondContact O-N 3.1Å; S493-E495 PolarHBondContact O-N 3.03Å
494P41.8Very low41Very low113 Ų113140.3 Ų140.373%0.73477%0.771SS**  trans-7296.2173.129.6-32.2000108.9F496P494-F496 PolarHBondContact O-N 3.11Å
495E35.5Very low41.6Very low173 Ų173136.4 Ų136.481%0.80877%0.768SS**  trans-60.4122.1172-172.1179176.600109S493 V497S493-E495 PolarHBondContact O-N 3.03Å; E495-V497 PolarHBondContact O-N 3.43Å
496F44.9Very low42.5Very low175 Ų175135.1 Ų135.177%0.76877%0.774SS**  trans-6994.4-179.5-78.5-91.8000109.6P494 H498P494-F496 PolarHBondContact O-N 3.11Å; F496-H498 PolarHBondContact O-N 3.06Å; F496-H498 PolarHBondContact O-ND1 3.34Å
497V51.7Low43.1Very low130 Ų130136.1 Ų136.179%0.78877%0.769SS**  trans-55.7106.9173.1178.30000108.6E495 A499E495-V497 PolarHBondContact O-N 3.43Å; V497-A499 PolarHBondContact O-N 3.42Å
498H48.9Very low44Very low165 Ų165139 Ų13976%0.76477%0.773SS**  trans-7183.8177.8-78.855.2000109.2F496 K500F496-H498 PolarHBondContact O-N 3.06Å; F496-H498 PolarHBondContact O-ND1 3.34Å; H498-K500 VanDerWaalsContact C-N 3.26Å; H498-K500 PolarHBondContact O-N 2.86Å
499A53.6Low44.8Very low92 Ų92139 Ų13976%0.7677%0.768SS**  trans-64.884.4176.800000110.2V497 F501V497-A499 PolarHBondContact O-N 3.42Å; A499-F501 PolarHBondContact O-N 2.86Å; A499-F501 VanDerWaalsContact O-N 3.07Å
500K42.8Very low45.9Very low187 Ų187142.6 Ų142.681%0.81377%0.769SS**  trans-56.5115.8173.9-69.3-179.9-179.3176.30108.3H498 V502H498-K500 VanDerWaalsContact C-N 3.26Å; H498-K500 PolarHBondContact O-N 2.86Å; K500-V502 PolarHBondContact O-N 3.29Å
501F50.7Low46.8Very low181 Ų181140.7 Ų140.779%0.79477%0.769SS**  trans-61.399.7176177.5-99.4000109.5A499 P503A499-F501 PolarHBondContact O-N 2.86Å; A499-F501 VanDerWaalsContact O-N 3.07Å; F501-P503 HydrophobicContact CD1-CG 4.1Å; F501-P503 HydrophobicContact CE1-CB 4.03Å; F501-P503 HydrophobicContact CE1-CG 3.87Å; F501-P503 WeakPolarHBondContact O-CD 3.45Å
502V56.2Low47.5Very low122 Ų122145 Ų14574%0.73977%0.77SS**  trans-81.9113.4167.7179.10000106.5K500 A504K500-V502 PolarHBondContact O-N 3.29Å; V502-A504 PolarHBondContact O-N 2.75Å; V502-A504 VanDerWaalsContact O-N 3.11Å
503P56.4Low48.1Very low90 Ų90146.9 Ų146.958%0.58477%0.774SS**  trans-63.9118.4176.3-16.730.6000108.5F501 S505F501-P503 HydrophobicContact CD1-CG 4.1Å; F501-P503 HydrophobicContact CE1-CB 4.03Å; F501-P503 HydrophobicContact CE1-CG 3.87Å; F501-P503 WeakPolarHBondContact O-CD 3.45Å; P503-S505 PolarHBondContact O-N 3.03Å; P503-S505 VanDerWaalsContact O-N 3.15Å
504A45.7Very low48.7Very low96 Ų96146.4 Ų146.479%0.79378%0.776SS**  trans-55123.2176.400000109.2V502 S506V502-A504 PolarHBondContact O-N 2.75Å; V502-A504 VanDerWaalsContact O-N 3.11Å; A504-S506 PolarHBondContact O-N 2.97Å
505S47.1Very low48.9Very low113 Ų113146.7 Ų146.779%0.7977%0.771SS**  trans-60.7114-176.248.20000109.5P503 Q507P503-S505 PolarHBondContact O-N 3.03Å; P503-S505 VanDerWaalsContact O-N 3.15Å; S505-Q507 VanDerWaalsContact C-N 3.29Å; S505-Q507 PolarHBondContact O-N 2.9Å
506S49.8Very low49.7Very low109 Ų109149.9 Ų149.976%0.76278%0.776SS**  trans-70.385-174-170.10000110.9A504 R508A504-S506 PolarHBondContact O-N 2.97Å; S506-R508 PolarHBondContact O-N 2.92Å
507Q45.5Very low50.1Low169 Ų169149.2 Ų149.279%0.7977%0.773SS**  trans-70.796.2174.2-175.3164.2-12.700108.6S505 V509S505-Q507 VanDerWaalsContact C-N 3.29Å; S505-Q507 PolarHBondContact O-N 2.9Å; Q507-V509 VanDerWaalsContact C-N 3.26Å; Q507-V509 HydrophobicContact CG-CG2 4.49Å; Q507-V509 PolarHBondContact O-N 3.03Å
508R52.2Low50.2Low219 Ų219149.5 Ų149.583%0.82678%0.775SS**  trans-69.576.4-177.2-65.917866.9-156.64.1111.8S506 K510S506-R508 PolarHBondContact O-N 2.92Å; R508-K510 PolarHBondContact O-N 3.14Å; R508-K510 VanDerWaalsContact O-N 3.08Å
509V46.3Very low50.1Low110 Ų110151 Ų15167%0.66778%0.779SS**  trans-61.7109171.3179.80000109Q507 V511Q507-V509 VanDerWaalsContact C-N 3.26Å; Q507-V509 HydrophobicContact CG-CG2 4.49Å; Q507-V509 PolarHBondContact O-N 3.03Å; V509-V511 VanDerWaalsContact C-N 3.29Å; V509-V511 HydrophobicContact CG1-CG2 4.09Å; V509-V511 PolarHBondContact O-N 3.28Å
510K56.1Low49.8Very low193 Ų193151.2 Ų151.284%0.83978%0.781SS**  trans-73.680.7172.9-77.4-175.2175.4178.70110.3R508 R512R508-K510 PolarHBondContact O-N 3.14Å; R508-K510 VanDerWaalsContact O-N 3.08Å; K510-R512 PolarHBondContact O-N 3.49Å; K510-R512 VanDerWaalsContact O-N 3.1Å
511V53.8Low49.5Very low126 Ų126148.5 Ų148.576%0.76478%0.78SS**  trans-63.9110.3164.9-177.40000108V509V509-V511 VanDerWaalsContact C-N 3.29Å; V509-V511 HydrophobicContact CG1-CG2 4.09Å; V509-V511 PolarHBondContact O-N 3.28Å
512R49.5Very low49.7Very low229 Ų229149.3 Ų149.386%0.86478%0.783SS**PPolyproline II helixtrans-69.7132.2171.3-65-177.269.6-169.71.2108.3K510 A514K510-R512 PolarHBondContact O-N 3.49Å; K510-R512 VanDerWaalsContact O-N 3.1Å; R512-A514 PolarHBondContact O-N 2.85Å
513Q45.3Very low49.4Very low192 Ų192151.4 Ų151.490%0.89779%0.789SS**PPolyproline II helixtrans-63.4129.2168.6-70.7-174.3-3.300109.2
514A48.3Very low48.5Very low90 Ų90156.3 Ų156.374%0.74480%0.801SS**PPolyproline II helixtrans-78.3139.6168.400000109.9R512 R516R512-A514 PolarHBondContact O-N 2.85Å; A514-R516 PolarHBondContact O-N 2.98Å
515D46.5Very low48.4Very low120 Ų120163.5 Ų163.564%0.64281%0.808SS**PPolyproline II helixtrans-57.2116.1-178.3-85.2-19.9000112.4K517D515-K517 HydrophobicContact CB-CD 3.85Å; D515-K517 HydrophobicContact CB-CG 4.06Å; D515-K517 PolarHBondContact O-N 3.09Å; D515-K517 VanDerWaalsContact OD2-CE 3.23Å; D515-K517 WeakPolarHBondContact OD2-CE 3.37Å; D515-K517 IonicContact OD2-NZ 2.65Å; D515-K517 PolarHBondContact OD2-NZ 2.98Å
516R51.6Low48Very low240 Ų240166.4 Ų166.491%0.90681%0.806SS**  trans-76.665.2171-73.8-173.8168.1-171.3-3.9111.8A514 T518A514-R516 PolarHBondContact O-N 2.98Å; R516-T518 VanDerWaalsContact C-N 3.28Å; R516-T518 PolarHBondContact O-N 3.09Å
517K54.5Low47.2Very low161 Ų161166.7 Ų166.770%0.781%0.808SS**  trans-79.165.6178.4-82.1163.9173.9159.60112.5D515 K519D515-K517 HydrophobicContact CB-CD 3.85Å; D515-K517 HydrophobicContact CB-CG 4.06Å; D515-K517 PolarHBondContact O-N 3.09Å; D515-K517 VanDerWaalsContact OD2-CE 3.23Å; D515-K517 WeakPolarHBondContact OD2-CE 3.37Å; D515-K517 IonicContact OD2-NZ 2.65Å; D515-K517 PolarHBondContact OD2-NZ 2.98Å; K517-K519 PolarHBondContact O-N 3.32Å
518T54.1Low46.7Very low135 Ų135163.7 Ų163.783%0.82881%0.806SS**  trans-7193.317351.90000111.3R516R516-T518 VanDerWaalsContact C-N 3.28Å; R516-T518 PolarHBondContact O-N 3.09Å
519K46.8Very low45.5Very low197 Ų197158.8 Ų158.886%0.85780%0.796SS**  trans-75.7121171.2-73.5-173.9176.4-179.40110.5K517 V521K517-K519 PolarHBondContact O-N 3.32Å; K519-V521 PolarHBondContact O-N 3.05Å
520A45.9Very low44.8Very low97 Ų97162.3 Ų162.380%0.80280%0.802SS**  trans-79.1115174.200000111.2K522A520-K522 PolarHBondContact O-N 2.73Å
521V37.7Very low44.7Very low130 Ų130158.7 Ų158.779%0.78880%0.799SS**  trans-74.4111.8175.6177.60000109.8K519 L523K519-V521 PolarHBondContact O-N 3.05Å; V521-L523 HydrophobicContact CG1-CD2 4.43Å
522K53.7Low43.8Very low198 Ų198164.6 Ų164.686%0.86181%0.807SS**  trans-88.1105.8173.1-81.3-172.9173.9179.80110.9A520A520-K522 PolarHBondContact O-N 2.73Å
523L50.2Low43.1Very low166 Ų166157.6 Ų157.687%0.86980%0.799SS**  trans-70132.1167.5-62.2176.8000110.4V521V521-L523 HydrophobicContact CG1-CD2 4.43Å
524K37.8Very low42.7Very low193 Ų193155.1 Ų155.184%0.83979%0.791SS**  trans-107.8110.2-175.4178.7-178178.5178.70110.9
525R44.8Very low41.9Very low247 Ų247160.4 Ų160.493%0.93279%0.792SS**  trans-86.6141.7165.6-169.2167172.2162.6-3.3109.7
526K38.6Very low41.4Very low173 Ų173160.2 Ų160.275%0.75279%0.787SS**  trans-93.2156.9-173.6-72.9-176.5174.8179.30113.3
527S32Very low40.6Very low115 Ų115155.7 Ų155.780%0.80478%0.776SS**  trans64.6155.2143.454.10000119.2
528S34.9Very low39.5Very low107 Ų107155 Ų15575%0.74878%0.775SS**  cis-139.3158.47.4520000114.6
529D28.1Very low38.2Very low116 Ų116153.2 Ų153.262%0.6277%0.768SS**  trans-27.6165.6153.4-67-96.2000117.4
530K31.6Very low37.4Very low183 Ų183153.8 Ų153.880%0.79677%0.771SS**  cis174.7168.3-16.9-98.2-169.5-173.175.20103.9
531P53.9Low36.7Very low117 Ų117154.9 Ų154.976%0.7677%0.772SS**  trans-121.6166.3-158.841.7-31.6000117.7
532R35.1Very low36.3Very low250 Ų250153.9 Ų153.994%0.94377%0.771SS**  trans-167.9153.4151.3-114.5179.6-87.7-147.9-5.2107.8
533A34.7Very low35.2Very low83 Ų83147.8 Ų147.869%0.68677%0.765SS**  cis-150-179.4-800000106.8
534L36.1Very low34Very low140 Ų140147.7 Ų147.773%0.73376%0.76SS**  cis-151.7171.4-2.6-151.365.4000103.6
535R30.8Very low33.7Very low201 Ų201147.6 Ų147.676%0.75875%0.754SS**  cis-133.9149.121.3-86.9-160.6102.5160.65.4109.4
536Q36.1Very low32.7Very low115 Ų115141.6 Ų141.654%0.53775%0.745SS.*  64.6114.167.9-79.7-170.9-26.200113.3
537Q34.9Very low32.4Very low145 Ų145141.8 Ų141.868%0.67875%0.746SS**  cis-142.3-168.5-6.5-64176.3-123.200107.7
538H30.8Very low32.1Very low148 Ų148144.1 Ų144.169%0.68574%0.744SS**  cis-161.5160.811.3-147.3-67.8000112
539S27.7Very low31.7Very low97 Ų97145.9 Ų145.968%0.67875%0.75SS**  trans72.5161.9157.5-65.70000120.3
540F30.8Very low31.6Very low208 Ų208143.2 Ų143.291%0.91275%0.75SS**  trans-141.9179.2-153.4-72.5-90.5000113.5
541S29.9Very low31.3Very low120 Ų120144.5 Ų144.584%0.83976%0.756SS**  trans102.6150.3157.8-159.30000115.8
542S30.2Very low30.1Very low110 Ų110142.5 Ų142.577%0.76976%0.756SS**  cis-178.8145.9-36.1-173.70000107.4
543G29.3Very low29.8Very low70 Ų70134.9 Ų134.972%0.72275%0.746SS**  trans61.6-171.2168.800000116.1
544E26.2Very low29.6Very low163 Ų163142.9 Ų142.976%0.76276%0.759SS**  cis-149-173.4-36.8-175.3147.6-172.400108.4
545R30.6Very low29.3Very low192 Ų192139.7 Ų139.773%0.72576%0.76SS**  trans-77.1159.2-170.7-52.9154.5162.2137.2-20.5114.7
546T25.4Very low29.2Very low120 Ų120137 Ų13774%0.73676%0.755SS**  trans61150.2134.253.10000123
547K31.1Very low29.1Very low178 Ų178140.2 Ų140.277%0.77477%0.771SS**  trans71.3123.2166.1-70.4-171.3173.6-170.20114.7
548E25.3Very low29Very low163 Ų163142.2 Ų142.276%0.76277%0.772SS**  83.9140.953.2-77.7-169.8-100.800113.2
549V27Very low29.3Very low145 Ų145146.4 Ų146.488%0.87978%0.782SS**  trans64135.5-173.8-166.90000112.5
550G26.4Very low29.7Very low59 Ų59147.4 Ų147.461%0.60879%0.789SS**  cis162.5174.5-4.200000110.4
551F25.8Very low29.7Very low211 Ų211140.7 Ų140.793%0.92578%0.779SS**  trans32.896161.8-70.9-88.2000119.8
552G27.2Very low29.9Very low74 Ų74145.6 Ų145.676%0.76379%0.785SS**  98.1166.7104.200000121.7
553A29.7Very low29.9Very low90 Ų90143.7 Ų143.774%0.74478%0.782SS**  trans68.2101.7150.700000121.5
554R30.3Very low30.2Very low252 Ų252149.9 Ų149.995%0.95179%0.789SS**  trans70.9159.4151.8-45.6-177.6-160-86.62.8115.2
555G30Very low30.4Very low72 Ų72148.6 Ų148.674%0.74279%0.792SS**  cis-162-174.5-0.600000112.4
556E28.1Very low30.5Very low144 Ų144144.2 Ų144.267%0.67379%0.791SS**  trans-69.7141.6-178.4-69.9-174.686.900114.7R558E556-R558 IonicContact OE1-CZ 2.73Å; E556-R558 IonicContact OE1-NE 3.17Å; E556-R558 PolarHBondContact OE1-NE 2.73Å; E556-R558 IonicContact OE1-NH2 3.98Å; E556-R558 PolarHBondContact OE1-NH2 3.02Å; E556-R558 IonicContact OE2-NH2 3.79Å
557Q35.3Very low30.6Very low184 Ų184144.9 Ų144.986%0.8679%0.786SS**  -157.1112.6129.3-124.7167.6-119.800108.3
558R32.3Very low30.6Very low186 Ų186145.2 Ų145.270%0.70279%0.787SS**  49.4115.372.4-53.1-73.1179.3146.74.8109.5E556E556-R558 IonicContact OE1-CZ 2.73Å; E556-R558 IonicContact OE1-NE 3.17Å; E556-R558 PolarHBondContact OE1-NE 2.73Å; E556-R558 IonicContact OE1-NH2 3.98Å; E556-R558 PolarHBondContact OE1-NH2 3.02Å; E556-R558 IonicContact OE2-NH2 3.79Å
559R37.1Very low30.6Very low237 Ų237141.1 Ų141.189%0.89479%0.789SS**  -160.8171.456.7-67.6175-176.5-176-0108.7
560S35Very low30.6Very low117 Ų117139.7 Ų139.782%0.81879%0.785SS**  cis-177.4149.3-22.353.60000107
561G31.6Very low30.8Very low68 Ų68140.2 Ų140.270%0.70178%0.784SS**  cis163.3-165.11.600000110.7
562K34.1Very low30.7Very low223 Ų223140.7 Ų140.797%0.9778%0.78SS**  trans69.2120.7-179.4-57.3177.8177.8177.30115.5
563G31Very low30.5Very low70 Ų70144.8 Ų144.872%0.72278%0.779SS**  cis168.5170.2-9.400000114.6
564K35.2Very low30.3Very low200 Ų200145.9 Ų145.987%0.8778%0.777SS**  trans72.9121.5-178.3-52.9-174.3178.8-174.10113.6
565V30.5Very low30.1Very low136 Ų136141 Ų14182%0.82476%0.764SS**  70.4123.752.6178.40000110.5
566S31.1Very low29.9Very low99 Ų99144.1 Ų144.169%0.69276%0.759SS**  cis-144.2-179.24.2-119.90000107
567E29.5Very low30Very low134 Ų134143.6 Ų143.663%0.62676%0.757SS**  cis-177.1179.7-6.4166.5165.6-179.800106.3
568K29.9Very low29.8Very low185 Ų185143.6 Ų143.680%0.80475%0.749SS**  trans-19.9147.5170.5-55151-1721520117.1
569G26.1Very low29.7Very low78 Ų78141.7 Ų141.780%0.80475%0.748SS**  trans178.8104.7158.200000117.8
570S26.2Very low29.3Very low114 Ų114142.1 Ų142.180%0.79775%0.75SS**  trans-58124.9165.71530000114.3
571A29.8Very low29.1Very low70 Ų70141.8 Ų141.858%0.57975%0.747SS**  trans58.5155.6137.100000122.7
572W24.4Very low29Very low221 Ų221143.2 Ų143.284%0.83775%0.747SS**  trans77.6143.2168.6-53.3105.1000118.7
573Q23.2Very low28.7Very low161 Ų161137.3 Ų137.375%0.75273%0.733SS**  trans41144.6134.2-63.1179.111.700120.3
574T25.8Very low28.6Very low113 Ų113142.6 Ų142.669%0.69374%0.739SS**  cis-174.6177.3-2.9-95.50000107.1
575H25.8Very low28.4Very low149 Ų149137.8 Ų137.869%0.6973%0.731SS**  trans75.4119.1174-100.6-123.3000114.9
576E26.5Very low28.6Very low137 Ų137135.9 Ų135.964%0.6472%0.723SS**  78.2147.476.9-74-147.8148.400113.5
577H30.4Very low28.8Very low133 Ų133138.4 Ų138.462%0.61673%0.728SS**  cis-153.2168.213.1-153.52.1000111.3
578R29.9Very low28.9Very low184 Ų184142.8 Ų142.869%0.69474%0.741SS**  trans70.8130145.1-169.1175.7-74.7-107.49.8118.5
579Q29.7Very low29.1Very low147 Ų147137.5 Ų137.569%0.68774%0.739SS**  cis-162.4131.3-9.3-122.4170.8-18.700110.6
580R29.3Very low30.1Very low246 Ų246140.5 Ų140.593%0.92874%0.744SS**  trans-167.4111.4148.8-117.7178.8-179.9-172.4-0.6113.1
581S30.3Very low30.3Very low109 Ų109138.7 Ų138.776%0.76274%0.743SS**  21.7127.1129.5-174.60000118.9
582S30.2Very low30.5Very low99 Ų99141.9 Ų141.969%0.69276%0.755SS**  cis-157.9127.2-4.7-75.20000112.7
583S28.8Very low31Very low98 Ų98141.5 Ų141.569%0.68575%0.754SS**  39.8142.6123.9-570000122.3
584E28.1Very low31.3Very low181 Ų181140.6 Ų140.685%0.84675%0.753SS**  cis-164.4-171.5-7.5-129.1145.3-111.600113.2
585S29.9Very low31.6Very low100 Ų100140.5 Ų140.570%0.69975%0.752SS**  trans-132.8155.4-156.558.60000118.6
586S36.1Very low31.7Very low95 Ų95140.3 Ų140.366%0.66475%0.752SS**  trans36.6117.2145.165.10000123.6
587L35.1Very low31.9Very low152 Ų152142.7 Ų142.780%0.79676%0.76SS**  57.3131.2129.1-65.5174.7000123.3
588Y31.9Very low31.8Very low227 Ų227140.2 Ų140.289%0.8977%0.77SS**  trans76.1139.5166.3-66.4-74000119
589G32.6Very low31.9Very low74 Ų74139.9 Ų139.976%0.76378%0.776SS**  trans-106-146.3177.900000112.2
590P47.8Very low33Very low140 Ų140138.6 Ų138.691%0.90978%0.78SS**  cis-128.9-176.85.343.1-27.9000114.3
591G30.1Very low33Very low76 Ų76135.3 Ų135.378%0.78477%0.772SS**  trans170.9136.1166.500000116.1
592V34Very low34Very low138 Ų138136 Ų13684%0.83677%0.774SS**  trans-116.8136-170.2-170.10000111.9
593R34.8Very low33.9Very low213 Ų213138.6 Ų138.680%0.80478%0.775SS**  162.8131.4123-89.7-165.1-88.7-161.20.1117
594I31.3Very low35.2Very low141 Ų141139.3 Ų139.372%0.72378%0.778SS**  trans53.5123.8133.4-46.2170.8000117.6
595T30.8Very low35.5Very low111 Ų111136.6 Ų136.668%0.68177%0.773SS**  -156.2152.266.543.80000114.7
596Q28.1Very low36.8Very low146 Ų146137.7 Ų137.768%0.68278%0.778SS**  trans38.1148137.1-59-173.368.900121.5
597K30.5Very low36.6Very low187 Ų187137.6 Ų137.681%0.81378%0.783SS**  cis-168.2160.70-119.8173.8-177.5155.30108.3
598G28.1Very low36.5Very low80 Ų80135.6 Ų135.683%0.82578%0.782SS**  trans140.9112.7153.200000118.3
599H33.2Very low36.5Very low178 Ų178129.4 Ų129.482%0.82477%0.772SS**  trans-117.4165.9155.1-124.8-26.6000106.4
600P52.1Low36.6Very low119 Ų119135.4 Ų135.477%0.77378%0.777SS**  -148.5-164.751.140.6-18000116.4
601K30.3Very low35.8Very low177 Ų177136.8 Ų136.877%0.7778%0.776SS**  trans-87.2177.3164.3-98.8179.1178-178.80110.3
602P50.4Low35.8Very low123 Ų123137.4 Ų137.480%0.79977%0.768SS**  cis-147.7-160.833.542.9-19.3000118.5
603H28.8Very low35.9Very low154 Ų154139.3 Ų139.371%0.71377%0.765SS**  trans-69-176.5176.9-78.3-74000114.7
604P55.6Low35.8Very low114 Ų114135.8 Ų135.874%0.7476%0.762SS**  cis-126155.8157.222000117.9
605V33.6Very low35.8Very low124 Ų124140.5 Ų140.575%0.75277%0.771SS**  69.9133.784.4178.10000112.7
606P56.8Low35.7Very low122 Ų122146.2 Ų146.279%0.79278%0.78SS**  cis-110.3-158.430.234.6-15.9000114.4
607A33.1Very low36.7Very low93 Ų93144 Ų14477%0.76978%0.778SS**  cis-155.8-144.21700000117
608S32Very low36.5Very low111 Ų111142.2 Ų142.278%0.77677%0.773SS**  trans-74.5158.6-169.544.30000116.9
609S32.8Very low36.3Very low97 Ų97141.3 Ų141.368%0.67875%0.754SS**  cis-164.8149.9-4.947.70000112.8
610K34.6Very low36Very low199 Ų199139.2 Ų139.287%0.86575%0.746SS**  trans55.2135151.1-65.5170-176.8179.40118.2
611L30.8Very low34.7Very low170 Ų170140.6 Ų140.689%0.8974%0.742SS**  cis-157.9174.2-10-163.759.7000107.8
612S30.3Very low34.5Very low89 Ų89141.3 Ų141.362%0.62274%0.741SS**  trans-164.6173.3-175.552.90000114.6
613K36.8Very low33.3Very low178 Ų178143 Ų14377%0.77474%0.739SS**  trans90.9155.4161.9-56.3165.1-172.6173.70116.9
614N31.7Very low33.7Very low138 Ų138143.3 Ų143.374%0.73874%0.74SS**  cis-172.5167-23.6-101.5-10000111.5
615R30.7Very low33.1Very low241 Ų241143.5 Ų143.591%0.90974%0.741SS**  trans79141.6142.1-95.4-172.4-179.1-159.40.1123.1
616R30.2Very low32.8Very low230 Ų230142.5 Ų142.587%0.86874%0.735SS**  trans-80.6177.7155.4-117-177.8-179.9-175-0.1110.1
617P48.8Very low31.5Very low101 Ų101144.2 Ų144.266%0.65673%0.733SS**  cis-139.9-161.8-5.432.3-7.6000114.6
618Q25.1Very low31.5Very low149 Ų149147 Ų14770%0.69673%0.729SS**  trans96.9158.3153.4-72.2179.3-15.100120.9
619S24Very low31.4Very low61 Ų61151.6 Ų151.643%0.42773%0.73SS.*  trans-74.4154.6-163.351.80000116.8Q301Q301-S619 WeakPolarHBondContact CG-OG 3.34Å; Q301-S619 PolarHBondContact O-OG 2.94Å
620M27.3Very low31.6Very low134 Ų134157.8 Ų157.866%0.6674%0.739SS**  -164.7-162.5107.2-155.7136.1176.200110.8
621E24.4Very low31.6Very low148 Ų148157.7 Ų157.769%0.69273%0.733SS**  trans-112.1172.5-155-124.7176.9119.700114.7
622Y26.8Very low31.9Very low192 Ų192161.7 Ų161.775%0.75374%0.736SS**  trans84.7128.9154.3-99.1-118.4000123
623E26.2Very low32.1Very low159 Ų159163.9 Ų163.974%0.74374%0.736SS**  trans82148.1150.6-75.8-60.6160.700125.9
624H35.5Very low32Very low160 Ų160160.3 Ų160.374%0.74174%0.74SS**  trans-88.2156.5-177.1-112.7-96.7000112.1
625P43Very low32.1Very low117 Ų117159.1 Ų159.176%0.7674%0.738SS**  -149.2135.592.937.4-18.5000115.2
626V27.6Very low33.1Very low104 Ų104153.1 Ų153.163%0.6373%0.73SS**  78.6107.396.6177.70000115.9
627E29.8Very low33.3Very low158 Ų158149.9 Ų149.974%0.73872%0.722SS**  trans68162.6148.2-69.2179.9-155.100120.1
628Q32.8Very low32.5Very low150 Ų150154.2 Ų154.270%0.70173%0.725SS**  cis-157.9166.710.4-144.8-179.375.500114.2
629R30.2Very low32.6Very low209 Ų209154.8 Ų154.879%0.78973%0.728SS**  trans89.4101.5134-158.8-173.3-150.9178.99123.1
630R36.7Very low33.2Very low227 Ų227156.3 Ų156.386%0.85774%0.739SS**  168.8112.7118-92.5-177.6-171.7-101.83.6108.6
631R34.1Very low33.4Very low197 Ų197156.2 Ų156.274%0.74374%0.741SS**  69.6102.154.7-167-172.9179.1-160.60.9115.5Q633R631-Q633 HydrophobicContact CG-CG 4.4Å; R631-Q633 VanDerWaalsContact CZ-OE1 3.22Å
632R37.1Very low34Very low254 Ų254155 Ų15596%0.95874%0.743SS**  -136164.8126.3-73.2-158.8177.6-129.80.9108.7
633Q35.8Very low34.4Very low135 Ų135152 Ų15263%0.63174%0.74SS**  trans-140.8154.9-165-70.2168.8-65.500112.5R631R631-Q633 HydrophobicContact CG-CG 4.4Å; R631-Q633 VanDerWaalsContact CZ-OE1 3.22Å
634A33.8Very low34.8Very low102 Ų102150.5 Ų150.584%0.84374%0.736SS**  trans-142151.7152.400000108.7
635T34.6Very low34.5Very low114 Ų114153.3 Ų153.370%0.69974%0.742SS**  trans-155.3152.5-166.547.80000108.6
636P52.1Low33.8Very low114 Ų114155.9 Ų155.974%0.7474%0.744SS**  -130152.457.311.215000115.8
637K33.9Very low34Very low163 Ų163155.3 Ų155.371%0.70975%0.75SS**  66.3142.580.8-52.8177.1170.7-170.20114.5
638W30.8Very low34.9Very low191 Ų191153.9 Ų153.972%0.72375%0.754SS**  cis-132.4145.96.7-75.789.2000109.2
639Q28.4Very low34.7Very low162 Ų162156.5 Ų156.576%0.75776%0.764SS**  56.1151.582.1-53.9-168.5-6.100115.8
640S36.1Very low34.6Very low93 Ų93153.9 Ų153.965%0.6577%0.765SS**  cis-135.1-161.78.448.60000110.5
641D32.4Very low34.3Very low131 Ų131150.9 Ų150.970%0.70176%0.76SS**  cis-148.2168.44.7-89.5-56.8000107.6
642V36Very low33.9Very low122 Ų122150 Ų15074%0.73976%0.764SS**  cis89.9128.719.5171.20000115
643D35.2Very low33.6Very low130 Ų130147.2 Ų147.270%0.69576%0.762SS**  cis-171176.8-22.6-144-22.2000111.9
644I34.3Very low33.2Very low128 Ų128152.5 Ų152.566%0.65678%0.776SS**  trans72.6116141.1-77.7162.3000124.9
645Y29.4Very low33Very low218 Ų218152.7 Ų152.786%0.85577%0.772SS**  trans80.9176.1134.4-79-117.2000125.1
646Q28.5Very low32.8Very low172 Ų172155.8 Ų155.880%0.80478%0.775SS**  trans-141.6139.8-138159.3-171.674.300113.2
647A31.1Very low31.7Very low92 Ų92158.7 Ų158.776%0.7678%0.779SS**  trans66.6169160.800000117.6
648P50.3Low31.3Very low128 Ų128156 Ų15683%0.83178%0.78SS**  cis-127.8-167.74.742.7-25.5000116.6
649F28.3Very low31.2Very low205 Ų205153.9 Ų153.990%0.89978%0.78SS**  trans-81.3139.6-165.6-86.1-101.3000117.7
650L28.6Very low31.3Very low154 Ų154153.5 Ų153.581%0.80678%0.779SS**  trans-157.5159.4152.5-74.1-173.3000108.5
651Q28.9Very low31Very low163 Ų163156.5 Ų156.576%0.76278%0.784SS**  cis-167139.1-22.6170.9164.6-10700111
652H25.8Very low30.9Very low178 Ų178156 Ų15682%0.82479%0.785SS**  trans32.9118.7157.5-125.483.5000121.5
653Q31.9Very low30.7Very low197 Ų197161.9 Ų161.992%0.92180%0.795SS**  trans-165.2163.6131.6-115.3-173.222.600114.4
654R27.3Very low30.3Very low246 Ų246160.4 Ų160.493%0.92879%0.794SS**  trans-162.7121.9-171.2-178.4-172-171.1-176.45.1112.8
655S28.5Very low30.1Very low106 Ų106161.9 Ų161.974%0.74180%0.803SS**  trans-167.9111164.5-164.60000108.9
656K31.9Very low30.3Very low178 Ų178160.8 Ų160.877%0.77480%0.802SS**  61.8130.896.1-70.4-171.3169.9-173.50114.9
657E27.3Very low30.9Very low176 Ų176158.8 Ų158.882%0.82280%0.804SS**  66.1135.553.1-69.8-172.1140.100113.1
658S27.1Very low30.7Very low105 Ų105157.6 Ų157.673%0.73480%0.801SS**  cis-162179.84.1-172.20000111.4
659M28.9Very low29.9Very low147 Ų147160.8 Ų160.872%0.72481%0.805SS**  trans93131.6154-61.4-149.4-67.200122.1
660Q29.8Very low30Very low155 Ų155162.3 Ų162.372%0.72481%0.805SS**  trans65.1157.8143-71.2174.65.100120.1
661M29.3Very low30.2Very low155 Ų155163.2 Ų163.276%0.76481%0.809SS**  cis-168.7145.1-44.8-117.9-142.2-63.200108
662V30.3Very low30.2Very low120 Ų120158.4 Ų158.473%0.72780%0.802SS**  trans33.2107.8152.9-172.90000118.5
663R31.3Very low31.3Very low247 Ų247155.8 Ų155.893%0.93280%0.801SS**  -158.4158.7126.2-107.8159.2-164.9175.45.2111.2
664S28.3Very low31Very low99 Ų99151.6 Ų151.669%0.69279%0.794SS**  trans-126.6176.5-16752.20000112
665L28.9Very low31.1Very low159 Ų159147.7 Ų147.783%0.83279%0.786SS**  trans87.1112.4172-59.6129.2000117.9
666K35.2Very low32.1Very low194 Ų194147.8 Ų147.884%0.84378%0.784SS**  trans9.1152.8133.3-72179.1178.3177.70119.1
667P41Very low32Very low131 Ų131148 Ų14885%0.85179%0.785SS**  cis-123.5179.925.839.7-25.6000114.2
668G25.7Very low32Very low67 Ų67147.1 Ų147.169%0.69178%0.78SS**  cis151.6140.3-8.800000112.2
669Q32.7Very low32Very low194 Ų194151.1 Ų151.191%0.90779%0.785SS**  trans-145.2129.1172.9-102173.1-18.200109.6
670W30.7Very low32.4Very low238 Ų238148.2 Ų148.290%0.90278%0.779SS**  trans-144.3135.8175.9-8595.5000108.1
671I33.2Very low32.3Very low173 Ų173148.7 Ų148.789%0.88778%0.784SS**  trans-158122.3155.8-100.9144.6000107.1
672G28.8Very low32.4Very low61 Ų61145.8 Ų145.863%0.62978%0.778SS**  trans-111.8-132.9160.800000107.3
673P48.3Very low32.6Very low123 Ų123144.9 Ų144.980%0.79978%0.778SS**  cis-113.1-163.1-12.636.5-17.4000109.9
674S26.2Very low32.5Very low109 Ų109139.7 Ų139.776%0.76277%0.768SS**  cis-159.8178.731.551.10000115.1
675H29.9Very low32.7Very low165 Ų165140 Ų14076%0.76477%0.77SS**  trans-88.2-165.4-165.9-48.5-81.8000113.4
676P48.7Very low32.9Very low108 Ų108141.3 Ų141.370%0.70177%0.77SS**  cis-145.9155.31.530.4-4.9000121.8
677F31.5Very low33Very low183 Ų183138.4 Ų138.480%0.80376%0.763SS**  trans50.7152.4137.3-61-59.7000128.4
678H27.3Very low32.7Very low156 Ų156141.6 Ų141.672%0.72277%0.766SS**  trans94.2114.2150.2-77.4-79.8000123.9
679F26.3Very low33.4Very low189 Ų189143.4 Ų143.483%0.82977%0.768SS**  trans33.1153.6137.2-71.2-107.3000122.4
680S36.3Very low33.7Very low87 Ų87142 Ų14261%0.60877%0.766SS**  cis-177.2177.7-13.1-174.90000110.4
681M28.8Very low33.8Very low165 Ų165137.5 Ų137.581%0.81376%0.76SS**  trans70.6156.1170-57-80.291.200117.9
682S32Very low34Very low93 Ų93134.4 Ų134.465%0.6576%0.76SS**  cis-170.8160.4-29.260.20000111.7
683S33.8Very low34.6Very low102 Ų102141.7 Ų141.771%0.71377%0.768SS**  trans67.8136.8158.4-161.80000119.1
684N29.6Very low34.1Very low137 Ų137146.5 Ų146.573%0.73377%0.772SS**  cis-155.2153.6-21.4-102.4-12000106.5
685S32.6Very low35.1Very low106 Ų106146.7 Ų146.774%0.74177%0.771SS**  cis83.552.624.9-150.70000115.8
686F32.3Very low35.8Very low186 Ų186145.1 Ų145.182%0.81678%0.775SS**  trans-161.1129.2172.6-132.5-127.8000107.6
687L36.6Very low35.2Very low134 Ų134144 Ų14470%0.70278%0.775SS**  cis-137.7139.9-7.2-78.5170.2000109.4
688Q34.8Very low35.5Very low198 Ų198140.9 Ų140.993%0.92577%0.773SS**  trans-156.577.8163.8-168.3177.612.200111.4
689S40.2Very low35.8Very low104 Ų104143 Ų14373%0.72778%0.781SS**  trans-157.399.6175.448.80000112.9
690L39.4Very low36Very low166 Ų166142.9 Ų142.987%0.86978%0.782SS**  trans-179.1121143.8-102.1168.2000111.3
691N33.5Very low35.9Very low143 Ų143147.1 Ų147.177%0.76580%0.795SS**  trans11365.8169.2-65.6-66.9000117.9
692A38.1Very low35.9Very low107 Ų107145.7 Ų145.788%0.88480%0.795SS**  trans-87.999.1151.600000109.2
693R40.7Very low35.8Very low214 Ų214146.3 Ų146.381%0.80880%0.799SS**  trans-150.513.4179.9-107.7-118-89.8-138.3-6.6118.4
694Y38.5Very low35.9Very low225 Ų225149.8 Ų149.888%0.88281%0.809SS**  trans-137.3141.2166.7-73.8-76.8000111.3
695P47.1Very low36Very low112 Ų112153.7 Ų153.773%0.72782%0.815SS**PPolyproline II helixtrans-78.1151.5172.833.2-34.4000111.3
696P43Very low36.2Very low132 Ų132153.5 Ų153.586%0.85781%0.811SS**PPolyproline II helixtrans-70.5135.1175.129.4-34000111.5
697A36.8Very low36.7Very low85 Ų85150.3 Ų150.370%0.70281%0.81SS**PPolyproline II helixtrans-84.9152.2175.900000111.8
698P36.9Very low36.5Very low117 Ų117155.3 Ų155.376%0.7682%0.819SS**PPolyproline II helixtrans-76.6148.3-169.930-35.9000114.4
699F34.2Very low36.4Very low201 Ų201151.8 Ų151.888%0.88282%0.815SS**PPolyproline II helixtrans-77.3141.7174.1-66.8-97.1000112.3
700H30Very low36.2Very low187 Ų187155.9 Ų155.987%0.86682%0.822SS**  trans-136.8134154.4-80.3-76.6000110.2
701M34.3Very low36Very low176 Ų176153.5 Ų153.587%0.86782%0.82SS**  trans-89.1132.4-178.6-68.5174.765.200112.4
702T28.8Very low36.2Very low135 Ų135155.2 Ų155.283%0.82882%0.823SS**  trans-174.2100142.49.20000106.5
703S30.8Very low36.3Very low105 Ų105160.4 Ų160.473%0.73482%0.821SS**  54.29269.5-1640000112.8
704L35Very low36.6Very low175 Ų175155.7 Ų155.792%0.91682%0.822SS**  trans177.4103.1141.9-97.9163.6000108.2
705Y32.4Very low36.7Very low219 Ų219148.7 Ų148.786%0.85981%0.81SS**  trans-126.7135.2178.1-152.6-89.3000108.7
706P37.7Very low36.5Very low102 Ų102151.6 Ų151.666%0.66281%0.814SS**PPolyproline II helixtrans-72.4137.6-179.629.3-34.1000110.9
707P42.7Very low36.2Very low120 Ų120151 Ų15178%0.77981%0.811SS**PPolyproline II helixtrans-72.8140.5-178.229.6-34.6000111.7
708R31.9Very low36.3Very low238 Ų238152.2 Ų152.290%0.89882%0.822SS**PPolyproline II helixtrans-88.6133.1153.3-81.5-175170.1175.1-2.9107.9
709C31.8Very low36.6Very low124 Ų124152 Ų15284%0.83882%0.823SS**PPolyproline II helixtrans-84.6117.5166.7-60.40000109
710E37Very low37.1Very low190 Ų190149.5 Ų149.589%0.88882%0.818SS**PPolyproline II helixtrans-86144.3153.9-67.9174.8174.600107.7
711S34.4Very low37.6Very low116 Ų116147.9 Ų147.981%0.81181%0.809SS**  trans-161.982.2-175.4173.60000110.2
712E38Very low37.8Very low180 Ų180147.8 Ų147.884%0.84181%0.806SS**  trans-99.7145.8172.2-71.9-165.8159.100112.1
713Y40.1Very low38.4Very low215 Ų215146.6 Ų146.684%0.84380%0.803SS**  trans60.2110.5162.7-86.1-88.4000122.4
714S47.9Very low39.1Very low116 Ų116148.7 Ų148.781%0.81181%0.811SS**  -155.5127.3128-75.40000106.5
715A40.8Very low39.6Very low78 Ų78148.3 Ų148.365%0.64581%0.808SS**  61.4127.271.300000112
716E42.1Very low40.2Very low172 Ų172142.3 Ų142.380%0.80480%0.804SS**  cis-169.8179.31.856.7-152.9131.100113
717C37.6Very low40.3Very low119 Ų119146.2 Ų146.280%0.80481%0.814SS**  trans59.2109.1156.6-69.60000122
718A37.3Very low40.3Very low111 Ų111145.4 Ų145.492%0.91781%0.811SS**  -152.7124.1129.800000110.5
719S44.8Very low41.3Very low112 Ų112139.6 Ų139.678%0.78381%0.807SS**  trans-99.9136.2176.9174.30000110.7
720L43.7Very low42.2Very low149 Ų149141.8 Ų141.878%0.7880%0.804SS**  trans-154.389.8164.1-146.770.6000114.4
721F40.8Very low42.7Very low154 Ų154136.5 Ų136.568%0.67580%0.801SS**  trans59.7110.8147.1-58.6-48000123.1
722H38.9Very low43.4Very low174 Ų174139.3 Ų139.381%0.80680%0.801SS**  trans74.6129.5130.1-60.5-49000122.4
723S40.5Very low43.9Very low109 Ų109138.3 Ų138.376%0.76280%0.799SS**  trans-79.9154166.8-28.50000112.5
724T45.6Very low44.1Very low149 Ų149132.1 Ų132.191%0.91479%0.787SS**  trans-136.6157.8152.132.50000109.9
725I46.2Very low44.6Very low167 Ų167134.6 Ų134.686%0.85679%0.791SS**  trans-133.9132.4-166.9-43.3169.6000109
726A45.6Very low44.9Very low93 Ų93138 Ų13877%0.76980%0.798SS**  trans-179.3155.2159.900000108.7
727E38.2Very low45.3Very low185 Ų185135.4 Ų135.486%0.86479%0.794SS**  cis-163167.7-29.7-173.1163.3168.800106.9
728S44.2Very low45.6Very low103 Ų103135.5 Ų135.572%0.7279%0.791SS**  trans-50.9156.8-178.8-48.90000117.1
729S51.1Low46.2Very low115 Ų115137.8 Ų137.880%0.80479%0.788SS**  -156.2128.3126.7-172.10000110.1
730E52.5Low46Very low170 Ų170142 Ų14279%0.79479%0.787SS**  trans-72.7176.7158.955.2-95.287.400112
731G46Very low45.7Very low79 Ų79143.7 Ų143.781%0.81479%0.788SS**  trans-178.586.3-179.300000111.9
732E50.3Low45.8Very low175 Ų175139.2 Ų139.282%0.81879%0.786SS**  trans-95.6153.9-174.4-165.1-173.9114.100112.5
733M47.2Very low45.5Very low159 Ų159137.7 Ų137.778%0.78378%0.784SS**  trans57.116816372.573.3104.600117.4
734S44.7Very low45.1Very low86 Ų86137.8 Ų137.860%0.60178%0.784SS**  cis-147.6160-2.647.60000110.9
735D57.8Low44.5Very low167 Ų167139.5 Ų139.589%0.89378%0.782SS**  trans-80.9130.5159.4-76.4-59000110.8
736N49Very low43.8Very low149 Ų149136.9 Ų136.980%0.79778%0.778SS**  trans-156.8162.6150.3-142.7-25.4000114.7
737T50Low43.3Very low118 Ų118137 Ų13772%0.72477%0.773SS**  trans-88.4162.8-174.167.20000113.7
738T43.7Very low43Very low121 Ų121136.4 Ų136.474%0.74277%0.77SS**  174.4152.8111.2-1670000113.3
739N49.5Very low42.3Very low159 Ų159136.7 Ų136.785%0.8577%0.773SS**  trans-108137.7171.3-86.4-40.8000109.7
740R41.4Very low41.4Very low202 Ų202135.7 Ų135.776%0.76277%0.765SS**  trans-149.8145.9156.3-68.1-161174.4-77.4-4.6114.2
741F36.5Very low40.5Very low183 Ų183135.7 Ų135.780%0.80377%0.765SS**  trans66.8145.8169.7-49.1-64.1000116.6
742G42.1Very low39.8Very low60 Ų60135.6 Ų135.662%0.61975%0.753SS**  cis102.4135.714.900000110.2
743D33.2Very low38.9Very low143 Ų143136.5 Ų136.577%0.76575%0.754SS**  cis-153.2143.79-76.7-56000109
744S31.7Very low38.2Very low111 Ų111133.6 Ų133.678%0.77675%0.749SS**  79.19389-52.60000118.7
745E33.9Very low37.4Very low185 Ų185136.8 Ų136.886%0.86476%0.76SS**  trans-166.8133.1146.747.1-172.4145.900109.2
746S31.5Very low36.2Very low112 Ų112133.4 Ų133.478%0.78375%0.749SS**  67.6134.866.2-63.70000113.4
747S35.9Very low35.2Very low94 Ų94133 Ų13366%0.65775%0.747SS**  cis-158.7156.66.8-118.80000114.7
748Q30.5Very low34.3Very low173 Ų173132.1 Ų132.181%0.80875%0.746SS**  trans57.2133.3141.7-65174.1-2.600125.3
749S29Very low33.5Very low110 Ų110131 Ų13177%0.76974%0.743SS**  trans63.3159.2145.286.10000120.6
750S33.3Very low32.3Very low93 Ų93131.3 Ų131.365%0.6574%0.744SS**  cis-149.2173.98.9-22.10000112.9
751Q32.7Very low31.5Very low170 Ų170126.1 Ų126.179%0.79474%0.738SS**  trans-10.8154.8158.6-81.188.2-22.400119.9
752S31.4Very low31.2Very low78 Ų78124.8 Ų124.855%0.54574%0.739SS.*  cis-169.1175.2-0.6-109.70000113.4
753F32Very low30.4Very low193 Ų193128.7 Ų128.785%0.84675%0.745SS**  trans-1.1149.5151.9-35.9-59.6000119.4
754S32.1Very low30.6Very low98 Ų98130.7 Ų130.769%0.68575%0.75SS**  cis-152.4-149.311.9-147.20000109.9
755D28.1Very low30.7Very low153 Ų153135.1 Ų135.182%0.81876%0.759SS**  cis-157-169.45-120.7-18.1000111.8
756S31.7Very low30.8Very low97 Ų97134 Ų13468%0.67875%0.753SS**  trans-127.7178.7-163.8-56.60000117.2
757D29.5Very low30.9Very low141 Ų141135.7 Ų135.775%0.75475%0.749SS**  trans80.5120.7152.8-70.9-53.9000120.2
758S29.7Very low30.7Very low99 Ų99137.2 Ų137.269%0.69275%0.754SS**  90.1153.482.4-74.20000113
759S28Very low30.8Very low97 Ų97136.8 Ų136.868%0.67875%0.752SS**  cis-170.8-171.6-16.3-910000108.5
760L25.1Very low31Very low165 Ų165139.3 Ų139.386%0.86476%0.755SS**  trans77.8162162.3-48.2-178.1000118.4
761S24.7Very low30.9Very low93 Ų93141.4 Ų141.465%0.6576%0.759SS**  cis-176.8156.3-30.158.20000112.9
762L28.2Very low30.9Very low156 Ų156141.7 Ų141.782%0.81776%0.761SS**  trans63.7166.7166-89.376.3000116.9
763D25.8Very low30.9Very low141 Ų141142 Ų14275%0.75477%0.768SS**  cis-148.2175.518.6-153.30.8000114.1
764E38Very low31Very low185 Ų185137.8 Ų137.886%0.86477%0.768SS**  trans-129.4142.5175.5-63.8-176.1128.900112.8
765E33.5Very low31Very low205 Ų205142.2 Ų142.296%0.95878%0.778SS**  trans-152.2169.616453.5-177.3172.800113.6
766E35Very low31.3Very low160 Ų160139 Ų13975%0.74878%0.781SS**  trans-131-170.2-143.5-148-152.9110.300115.9
767Q34.3Very low31.2Very low148 Ų148137.7 Ų137.769%0.69278%0.783SS**  trans73.8147.6161.6-88.8130.652.500118.9
768V32.1Very low31.6Very low126 Ų126139.5 Ų139.576%0.76479%0.789SS**  cis-138.5170.35.1-1670000111.2
769E31.9Very low31.6Very low165 Ų165141.5 Ų141.577%0.77180%0.796SS**  trans-60.2163.7178.9-49.5165.8114.400118.1
770I33.6Very low31.8Very low163 Ų163148.3 Ų148.384%0.83681%0.808SS**  -174.3122119.1-93.3158.5000113.1
771N31.7Very low32.2Very low137 Ų137145.4 Ų145.473%0.73381%0.807SS**  trans16.1127.4154.4-61-0.5000124.9
772E32.9Very low32.4Very low176 Ų176149.8 Ų149.882%0.82282%0.817SS**  82.7139.3122.3-72.7-61.5157.500125.9
773A31.2Very low32.6Very low84 Ų84147.2 Ų147.269%0.69482%0.818SS**  trans90.6116.3149.600000122.8
774A32.9Very low32.9Very low104 Ų104144.6 Ų144.686%0.8682%0.817SS**  trans61.5146.2160.600000117.6
775E33.4Very low32.6Very low192 Ų192144 Ų14490%0.89782%0.818SS**  cis-149.8161.915.4-164.9175.1163.400109.8G777E775-G777 PolarHBondContact O-N 3.4Å
776G34.9Very low32.3Very low84 Ų84137.7 Ų137.787%0.86681%0.808SS**  trans-73.7119.9-168.200000116.2
777G29.6Very low32.4Very low70 Ų70136.4 Ų136.472%0.72281%0.814SS**  trans-127.881.1-177.600000115.9E775E775-G777 PolarHBondContact O-N 3.4Å
778M37.8Very low32.3Very low179 Ų179136.2 Ų136.288%0.88282%0.823SS**  trans31.987.2157-58.6-179.1-16700118.3
779V30Very low32.2Very low141 Ų141134.7 Ų134.786%0.85582%0.823SS**  trans-68.1129.4166.7176.50000110.7
780W31Very low32.2Very low241 Ų241132 Ų13291%0.91383%0.83SS**  trans-92.4144.3158.7-8387.2000109.6E782W780-E782 PolarHBondContact O-N 2.83Å; W780-E782 VanDerWaalsContact O-N 3.11Å
781A34.1Very low32.1Very low103 Ų103128.1 Ų128.185%0.85183%0.83SS**  trans-62.8112.1-167.500000113.4
782E29.4Very low32Very low186 Ų186130.7 Ų130.787%0.86984%0.837SS**PPolyproline II helixtrans-75.4148.5165.7-170.3166.3-176.800110.4W780 A784W780-E782 PolarHBondContact O-N 2.83Å; W780-E782 VanDerWaalsContact O-N 3.11Å; E782-A784 PolarHBondContact O-N 2.72Å
783A31.7Very low32.2Very low101 Ų101127.5 Ų127.584%0.83583%0.832SS**PPolyproline II helixtrans-73.8123.4-173.700000111.5
784A31.4Very low32.2Very low87 Ų87131.6 Ų131.672%0.71984%0.841SS**PPolyproline II helixtrans-81.6148.9-174.400000113.7E782E782-A784 PolarHBondContact O-N 2.72Å
785L32.7Very low32.2Very low172 Ų172137.7 Ų137.790%0.90184%0.842SS**  trans75.398.4169.1-78.367.5000118.5
786G27.1Very low32.1Very low72 Ų72137.8 Ų137.874%0.74284%0.842SS**  -129.6136.7126.900000108.1
787P37.8Very low32.2Very low133 Ų133141.3 Ų141.386%0.86484%0.84SS**  -135.5160.794.938.4-28.4000114.9
788T32.1Very low32.9Very low145 Ų145143.3 Ų143.389%0.8984%0.841SS**  trans-84.9140.4-169.6-56.90000114.2
789A28.4Very low33.1Very low93 Ų93140.6 Ų140.677%0.76984%0.836SS**  trans-149.5124.815400000112.6
790A32.8Very low33.5Very low110 Ų110144.9 Ų144.991%0.90984%0.837SS**  trans50124.8161.100000121.5
791G30.6Very low34.1Very low81 Ų81139.1 Ų139.184%0.83583%0.831SS**  trans137.2101.7152.900000117.7
792Q30.3Very low34.7Very low191 Ų191142.3 Ų142.389%0.89383%0.828SS**  trans-70170.7162.6-81.2-170.5-27.900112.1
793P36.6Very low35.5Very low108 Ų108139.5 Ų139.570%0.70183%0.826SS**  cis-139.3137.7-49.237.5-20.7000112.3
794L31.1Very low36.1Very low171 Ų171141.1 Ų141.190%0.89583%0.825SS**  trans-130.8121.3177.5-147.469.9000116.2
795R33Very low37.1Very low232 Ų232141.3 Ų141.388%0.87583%0.827SS**  trans11.5108.1163.1-71.4-76.8166.2160-4.2118.1L797R795-L797 PolarHBondContact O-N 3.21Å
796Q32.8Very low38Very low194 Ų194138.3 Ų138.391%0.90782%0.819SS**PPolyproline II helixtrans-53.8125.1162.7-66.1167.5-1900112
797L37Very low39.7Very low157 Ų157145.9 Ų145.982%0.82283%0.826SS**PPolyproline II helixtrans-77.8152.2153.9-85.6145.3000109.4R795R795-L797 PolarHBondContact O-N 3.21Å
798P42.9Very low41.3Very low112 Ų112146.4 Ų146.473%0.72782%0.82SS**PPolyproline II helixtrans-66.8135.8178.7-17.331.2000111.3R800P798-R800 PolarHBondContact O-N 3.32Å
799P43.2Very low43.5Very low122 Ų122149.3 Ų149.379%0.79282%0.82SS**PPolyproline II helixtrans-64.5129.3171.526.8-33000110.1
800R37.7Very low45.9Very low232 Ų232147 Ų14788%0.87580%0.801SS**PPolyproline II helixtrans-57.2131170.3-174.8178-174162.61.5108.4P798 E802P798-R800 PolarHBondContact O-N 3.32Å; R800-E802 PolarHBondContact O-N 2.89Å
801P43.4Very low48.2Very low119 Ų119145.2 Ų145.277%0.77378%0.782SS**PPolyproline II helixtrans-65.4120.8-179.126-33.5000110
802E46.2Very low50.6Low171 Ų171152.6 Ų152.680%0.79978%0.784SS**PPolyproline II helixtrans-64.8143.6172.9-67.4-160.9150.500110.9R800 T804R800-E802 PolarHBondContact O-N 2.89Å; E802-T804 PolarHBondContact O-N 3.19Å
803P47.3Very low53.2Low126 Ų126146.9 Ų146.982%0.81877%0.769SS**  trans-66.2109.4175.527.8-33.3000109.5A805P803-A805 PolarHBondContact O-N 3.26Å
804T44.1Very low55.4Low135 Ų135145.7 Ų145.783%0.82876%0.757SS**  trans-55.1114.6-178.351.40000110.8E802 C806E802-T804 PolarHBondContact O-N 3.19Å; T804-C806 PolarHBondContact O-N 3.06Å
805A52.9Low57.9Low92 Ų92143.5 Ų143.576%0.7674%0.74SS**  trans-62.398-172.300000111.4P803 R807P803-A805 PolarHBondContact O-N 3.26Å; A805-R807 PolarHBondContact O-N 3.41Å
806C50.3Low60.3Low108 Ų108139 Ų13973%0.7373%0.727SS**  trans-67.8104.3-174.7-168.90000110.4T804 I808T804-C806 PolarHBondContact O-N 3.06Å; C806-I808 PolarHBondContact O-N 3.06Å
807R62.5Low62.8Low232 Ų232136.6 Ų136.688%0.87571%0.714SS**  trans-75.471.4179.2-66.6179.171-179.54.7111A805 K809A805-R807 PolarHBondContact O-N 3.41Å; R807-K809 PolarHBondContact O-N 3.19Å; R807-K809 VanDerWaalsContact O-N 3.08Å
808I71.3Confident64.9Low144 Ų144133.2 Ų133.274%0.73870%0.695SS**  trans-57.3111.9179.4-61.1173.3000109.9C806 A810C806-I808 PolarHBondContact O-N 3.06Å; I808-A810 VanDerWaalsContact C-N 3.29Å; I808-A810 PolarHBondContact O-N 3.34Å
809K80.2Confident66.4Low205 Ų205132.3 Ų132.389%0.89168%0.677SS**  trans-78.278.4178.7-65.317972.7173.70110.2R807R807-K809 PolarHBondContact O-N 3.19Å; R807-K809 VanDerWaalsContact O-N 3.08Å
810A78.8Confident68.1Low46 Ų46135 Ų13538%0.3867%0.672SS.*  trans-50137.9175.300000112.1I808 L814I808-A810 VanDerWaalsContact C-N 3.29Å; I808-A810 PolarHBondContact O-N 3.34Å; A810-L814 HydrophobicContact CB-CB 4.41Å; A810-L814 HydrophobicContact CB-CD2 3.93Å; A810-L814 HydrophobicContact CB-CG 4.18Å
811S80.9Confident69.8Low71 Ų71132.4 Ų132.450%0.49767%0.667SS.*  trans-60.3154.8-178.976.90000112.1A813 L814 K815S811-A813 PolarHBondContact O-N 3.08Å; S811-A813 VanDerWaalsContact O-N 3.13Å; S811-L814 PolarHBondContact O-N 2.83Å; S811-L814 WeakPolarHBondContact OG-CB 3.27Å; S811-L814 PolarHBondContact OG-N 2.95Å; S811-L814 VanDerWaalsContact OG-N 3.17Å; S811-K815 PolarHBondContact O-N 3.37Å
812R80.4Confident71.4Confident237 Ų237128.3 Ų128.389%0.89464%0.638SS**Hα-helixtrans-56.6-32.2179.3-165.5179.9-175.3-158.43.6112.2K816R812-K816 WeakPolarHBondContact O-CB 3.46Å; R812-K816 PolarHBondContact O-N 2.94Å; R812-K816 VanDerWaalsContact O-N 3.14Å
813A85.1Confident72.6Confident70 Ų70123.9 Ų123.958%0.57962%0.624SS**Hα-helixtrans-70.2-44.7173.400000112.4S811 K816 K817S811-A813 PolarHBondContact O-N 3.08Å; S811-A813 VanDerWaalsContact O-N 3.13Å; A813-K816 PolarHBondContact O-N 3.05Å; A813-K817 PolarHBondContact O-N 3.11Å
814L83.3Confident73.3Confident84 Ų84121.8 Ų121.844%0.4462%0.617SS.*Hα-helixtrans-64.8-46.2177.3-179.155.9000111.7A810 S811 K816 K817 I818A810-L814 HydrophobicContact CB-CB 4.41Å; A810-L814 HydrophobicContact CB-CD2 3.93Å; A810-L814 HydrophobicContact CB-CG 4.18Å; S811-L814 PolarHBondContact O-N 2.83Å; S811-L814 WeakPolarHBondContact OG-CB 3.27Å; S811-L814 PolarHBondContact OG-N 2.95Å; S811-L814 VanDerWaalsContact OG-N 3.17Å; L814-K816 PolarHBondContact O-N 2.84Å; L814-K817 PolarHBondContact O-N 3.09Å; L814-K817 VanDerWaalsContact O-N 3.07Å; L814-I818 HydrophobicContact CD1-CD1 4.03Å; L814-I818 HydrophobicContact CD1-CG1 4.22Å; L814-I818 HydrophobicContact CG-CD1 3.94Å; L814-I818 WeakPolarHBondContact O-CG1 3.39Å; L814-I818 PolarHBondContact O-N 3.06Å
815K83.8Confident74Confident124 Ų124119.6 Ų119.654%0.53961%0.607SS.*Hα-helixtrans-59-34.9173.5-170.7170.9-177.6174.40111.9S811 R819S811-K815 PolarHBondContact O-N 3.37Å; K815-R819 WeakPolarHBondContact O-CB 3.31Å; K815-R819 PolarHBondContact O-N 3.32Å
816K82.6Confident74.4Confident137 Ų137119 Ų11960%0.59659%0.591SS**Hα-helixtrans-73-33.8174.2-167.5174.3-175.1178.40113.1R812 A813 L814 R820R812-K816 WeakPolarHBondContact O-CB 3.46Å; R812-K816 PolarHBondContact O-N 2.94Å; R812-K816 VanDerWaalsContact O-N 3.14Å; A813-K816 PolarHBondContact O-N 3.05Å; L814-K816 PolarHBondContact O-N 2.84Å; K816-R820 WeakPolarHBondContact O-CG 3.43Å; K816-R820 PolarHBondContact O-N 2.8Å
817K84.3Confident74.8Confident145 Ų145117.9 Ų117.963%0.6357%0.574SS**Hα-helixtrans-65.3-53.1170.5-79.1-170.1174.4-173.50110.7A813 L814 R819 R820 F821A813-K817 PolarHBondContact O-N 3.11Å; L814-K817 PolarHBondContact O-N 3.09Å; L814-K817 VanDerWaalsContact O-N 3.07Å; K817-R819 VanDerWaalsContact C-N 3.34Å; K817-R819 PolarHBondContact O-N 3.18Å; K817-R820 WeakPolarHBondContact O-CB 3.4Å; K817-R820 PolarHBondContact O-N 3.33Å; K817-F821 VanDerWaalsContact O-CD2 3.31Å; K817-F821 WeakPolarHBondContact O-CD2 3.27Å; K817-F821 PolarHBondContact O-N 3.24Å
818I81.3Confident74.6Confident85 Ų85112 Ų11244%0.43656%0.563SS.*Hα-helixtrans-55-47.8179.8-65.5165.8000110.9L814 R820 F821 Q822L814-I818 HydrophobicContact CD1-CD1 4.03Å; L814-I818 HydrophobicContact CD1-CG1 4.22Å; L814-I818 HydrophobicContact CG-CD1 3.94Å; L814-I818 WeakPolarHBondContact O-CG1 3.39Å; L814-I818 PolarHBondContact O-N 3.06Å; I818-R820 PolarHBondContact O-N 3.42Å; I818-R820 VanDerWaalsContact O-N 3.12Å; I818-F821 PolarHBondContact O-N 3.43Å; I818-Q822 HydrophobicContact CG2-CG 4.2Å; I818-Q822 PolarHBondContact O-N 3.3Å
819R75.5Confident73.7Confident93 Ų93112.4 Ų112.435%0.35156%0.564SS.*Hα-helixtrans-61.3-19.3177-83.7-171.2163.4-168.8-4.5115.6K815 K817 K827 T830K815-R819 WeakPolarHBondContact O-CB 3.31Å; K815-R819 PolarHBondContact O-N 3.32Å; K817-R819 VanDerWaalsContact C-N 3.34Å; K817-R819 PolarHBondContact O-N 3.18Å; R819-K827 WeakPolarHBondContact O-CE 3.43Å; R819-T830 PolarHBondContact NH2-O 3.19Å; R819-T830 PolarHBondContact NH2-OG1 2.9Å
820R79Confident72.8Confident179 Ų179105 Ų10568%0.67554%0.535SS*.Hα-helixtrans-75.7-41.6171.3-70.6177.4-178.2-78.114.3111.3K816 K817 I818K816-R820 WeakPolarHBondContact O-CG 3.43Å; K816-R820 PolarHBondContact O-N 2.8Å; K817-R820 WeakPolarHBondContact O-CB 3.4Å; K817-R820 PolarHBondContact O-N 3.33Å; I818-R820 PolarHBondContact O-N 3.42Å; I818-R820 VanDerWaalsContact O-N 3.12Å
821F73.1Confident71.5Confident177 Ų177109.2 Ų109.278%0.77655%0.551SS**Hα-helixtrans-87-13.6-175.7-65.8-71.9000115.1K817 I818K817-F821 VanDerWaalsContact O-CD2 3.31Å; K817-F821 WeakPolarHBondContact O-CD2 3.27Å; K817-F821 PolarHBondContact O-N 3.24Å; I818-F821 PolarHBondContact O-N 3.43Å
822Q76.2Confident69.6Low33 Ų33115.5 Ų115.515%0.15459%0.586CS.*SBendtrans-59.3133172-76.1-179.4-65.600111.2I818 L826 K827I818-Q822 HydrophobicContact CG2-CG 4.2Å; I818-Q822 PolarHBondContact O-N 3.3Å; Q822-L826 HydrophobicContact CG-CD2 4.24Å; Q822-K827 HydrophobicContact CB-CG 4.33Å; Q822-K827 PolarHBondContact O-NZ 3.24Å
823P71.1Confident69.1Low79 Ų79109.4 Ų109.451%0.51357%0.571SS.*  trans-63.1162.7172.828.2-35000111.2S825 L826 K827P823-S825 VanDerWaalsContact C-N 3.31Å; P823-S825 PolarHBondContact O-N 2.97Å; P823-L826 HydrophobicContact CG-CB 4.2Å; P823-L826 PolarHBondContact O-N 3.05Å; P823-L826 VanDerWaalsContact O-N 3.14Å; P823-K827 PolarHBondContact O-N 3.43Å
824A62.9Low68.2Low81 Ų81111.5 Ų111.567%0.66957%0.57SS**Hα-helixtrans-57.8-40.8-17300000113.2L826 K827A824-L826 VanDerWaalsContact C-N 3.34Å; A824-L826 PolarHBondContact O-N 3.09Å; A824-K827 PolarHBondContact O-N 3.34Å
825S58.6Low67.4Low90 Ų90113 Ų11363%0.62958%0.577SS**Hα-helixtrans-52.9-46.7174.947.30000113P823 K827P823-S825 VanDerWaalsContact C-N 3.31Å; P823-S825 PolarHBondContact O-N 2.97Å; S825-K827 VanDerWaalsContact C-N 3.29Å; S825-K827 PolarHBondContact O-N 3.09Å
826L60.8Low66.4Low78 Ų78112.4 Ų112.441%0.40858%0.58SS.*Hα-helixtrans-80.3-6.5-175.9-156.866.8000113.6Q822 P823 A824 M829Q822-L826 HydrophobicContact CG-CD2 4.24Å; P823-L826 HydrophobicContact CG-CB 4.2Å; P823-L826 PolarHBondContact O-N 3.05Å; P823-L826 VanDerWaalsContact O-N 3.14Å; A824-L826 VanDerWaalsContact C-N 3.34Å; A824-L826 PolarHBondContact O-N 3.09Å; L826-M829 HydrophobicContact CD1-SD 4.35Å
827K59.6Low65.4Low86 Ų86110.8 Ų110.837%0.37458%0.579SS.*Hα-helixtrans-74.7-36.5174.3-73.2-172.9168.885.60112R819 Q822 P823 A824 S825 T830R819-K827 WeakPolarHBondContact O-CE 3.43Å; Q822-K827 HydrophobicContact CB-CG 4.33Å; Q822-K827 PolarHBondContact O-NZ 3.24Å; P823-K827 PolarHBondContact O-N 3.43Å; A824-K827 PolarHBondContact O-N 3.34Å; S825-K827 VanDerWaalsContact C-N 3.29Å; S825-K827 PolarHBondContact O-N 3.09Å; K827-T830 PolarHBondContact O-N 3.31Å; K827-T830 PolarHBondContact O-OG1 3.38Å
828V58.4Low64.1Low108 Ų108108.5 Ų108.566%0.65558%0.575SS**Hα-helixtrans-63.8-48.2-176.7-173.10000111.2T830 L831V828-T830 PolarHBondContact O-N 3.02Å; V828-L831 PolarHBondContact O-N 3.46Å
829M52Low62.9Low152 Ų152110.2 Ų110.275%0.74959%0.585SS**THydrogen-bonded Turntrans-63.90.5-179.9-64.4178.672.400115.6L826L826-M829 HydrophobicContact CD1-SD 4.35Å
830T60.2Low62Low49 Ų49111.5 Ų111.530%0.30160%0.603SS.*THydrogen-bonded Turntrans-118.318178.8760000113.5R819 K827 V828R819-T830 PolarHBondContact NH2-O 3.19Å; R819-T830 PolarHBondContact NH2-OG1 2.9Å; K827-T830 PolarHBondContact O-N 3.31Å; K827-T830 PolarHBondContact O-OG1 3.38Å; V828-T830 PolarHBondContact O-N 3.02Å
831L52.2Low60.5Low136 Ų136105.9 Ų105.971%0.71260%0.597SS**  trans-120.117.8177.7-70.6171.6000113.4V828V828-L831 PolarHBondContact O-N 3.46Å
832V41.2Very low59.4Low202 Ų20299.5 Ų99.5100%1.22458%0.581SS**  trans-104.80159.2-170.40000107.3

Retrieved 832 of 832 residues in 615.1 ms (Link to these results)