A0A087Y9B4_POEFO Loading...

Dystrobrevin

AlphaFold DB , UniProt , Accession A0A087Y9B4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 707 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
1M30.8Very low35.8Very low225 Ų225147.1 Ų147.1100%1.10878%0.777SS**  095.90-49.4-174.7-59.500104
2I35.3Very low36.9Very low157 Ų157145.4 Ų145.481%0.80577%0.765SS**  cis60.986.650-48.7176.4000110.1
3E30.2Very low38.2Very low204 Ų204139.3 Ų139.395%0.95375%0.748SS**  trans-12269.3158.5-69.7-167.7142.400107.5
4D38.7Very low39.8Very low112 Ų112136.3 Ų136.360%0.59973%0.731SS**  trans-124.177.2-177.2-176.110.5000109.5
5C35.5Very low41.5Very low126 Ų126135.5 Ų135.585%0.85171%0.714SS**  trans-156.314.2178.6-1010000115.8
6G27.5Very low43.8Very low69 Ų69136.6 Ų136.671%0.71171%0.706SS**SBendtrans-82.7-42.6-175.300000116.2
7W33.8Very low46.3Very low237 Ų237131.9 Ų131.990%0.89868%0.68SS**SBendtrans-11223-155.1-75.477000115.9
8R36.9Very low48.8Very low202 Ų202125 Ų12576%0.76264%0.644SS**SBendtrans-99-3.6-179-64.1-173.7-171.4-111.21115
9G30.8Very low51.1Low67 Ų67120.2 Ų120.269%0.69162%0.617SS**SBendtrans-71.1-69-178.200000113.9N11G9-N11 PolarHBondContact O-N 3.29Å
10D40.4Very low53.2Low138 Ų138119 Ų11974%0.73862%0.615SS**THydrogen-bonded Turntrans-63.2-24.4-176.6-68.5-57.4000113.9M12 A13D10-M12 PolarHBondContact O-N 3.43Å; D10-A13 WeakPolarHBondContact O-CB 3.2Å; D10-A13 PolarHBondContact O-N 3.19Å
11N53.9Low55.1Low81 Ų81115.9 Ų115.943%0.43360%0.598SS.*Hα-helixtrans-58-23.6-164.7-139.4-76.5000114.6G9 R15G9-N11 PolarHBondContact O-N 3.29Å; N11-R15 VanDerWaalsContact O-CB 3.28Å; N11-R15 WeakPolarHBondContact O-CB 3.36Å; N11-R15 VanDerWaalsContact O-CD 3.26Å; N11-R15 WeakPolarHBondContact O-CD 3.4Å; N11-R15 WeakPolarHBondContact O-CG 3.45Å; N11-R15 PolarHBondContact O-N 2.66Å; N11-R15 WeakPolarHBondContact OD1-CD 3.49Å
12M49.5Very low58.1Low127 Ų127105.4 Ų105.463%0.62655%0.546SS*.Hα-helixtrans-83.4-18176-86.1-154.2-69.800115.1D10 R16D10-M12 PolarHBondContact O-N 3.43Å; M12-R16 WeakPolarHBondContact O-CG 3.38Å
13A53.5Low60.8Low66 Ų66105.8 Ų105.855%0.54554%0.538SS..Hα-helixtrans-73.9-57174.900000110D10 R15 R16 Q17D10-A13 WeakPolarHBondContact O-CB 3.2Å; D10-A13 PolarHBondContact O-N 3.19Å; A13-R15 VanDerWaalsContact C-N 3.33Å; A13-R15 PolarHBondContact O-N 3.28Å; A13-R16 CarbonylContact O-C 3.15Å; A13-R16 WeakPolarHBondContact O-CA 3.28Å; A13-R16 PolarHBondContact O-N 3.32Å; A13-Q17 PolarHBondContact O-N 2.76Å
14D60.3Low63.9Low97 Ų9799.9 Ų99.952%0.51952%0.524SS..Hα-helixtrans-58.7-42.2179.5-68.2-7.4000112.5R16 Q17D14-R16 PolarHBondContact O-N 3.06Å; D14-Q17 PolarHBondContact O-N 2.91Å
15R64.8Low66.5Low125 Ų12599.9 Ų99.947%0.47252%0.52SS..Hα-helixtrans-61.4-13.6175.1-74.2-179.872.8154.14.6114.1N11 A13 N113N11-R15 VanDerWaalsContact O-CB 3.28Å; N11-R15 WeakPolarHBondContact O-CB 3.36Å; N11-R15 VanDerWaalsContact O-CD 3.26Å; N11-R15 WeakPolarHBondContact O-CD 3.4Å; N11-R15 WeakPolarHBondContact O-CG 3.45Å; N11-R15 PolarHBondContact O-N 2.66Å; N11-R15 WeakPolarHBondContact OD1-CD 3.49Å; A13-R15 VanDerWaalsContact C-N 3.33Å; A13-R15 PolarHBondContact O-N 3.28Å; R15-N113 WeakPolarHBondContact CG-OD1 3.37Å
16R79.1Confident69.3Low153 Ų15397.5 Ų97.558%0.57750%0.499SS*.Hα-helixtrans-116.9-12.5178.1-65.3-179.3-179.6-170.62.2113.7M12 A13 D14 L18 Y19 V20M12-R16 WeakPolarHBondContact O-CG 3.38Å; A13-R16 CarbonylContact O-C 3.15Å; A13-R16 WeakPolarHBondContact O-CA 3.28Å; A13-R16 PolarHBondContact O-N 3.32Å; D14-R16 PolarHBondContact O-N 3.06Å; R16-L18 VanDerWaalsContact C-N 3.32Å; R16-L18 PolarHBondContact O-N 3.32Å; R16-Y19 PolarHBondContact O-N 2.79Å; R16-V20 PolarHBondContact O-N 3.25Å
17Q86.3Confident72.5Confident57 Ų5795.5 Ų95.527%0.26647%0.472SS..Hα-helixtrans-48.1-52.5-178.6-178.9-176.28.600111.8A13 D14 Y19 V20 E21A13-Q17 PolarHBondContact O-N 2.76Å; D14-Q17 PolarHBondContact O-N 2.91Å; Q17-Y19 PolarHBondContact O-N 2.94Å; Q17-V20 PolarHBondContact O-N 3.16Å; Q17-V20 VanDerWaalsContact O-N 3.11Å; Q17-E21 HydrophobicContact CG-CG 4.29Å; Q17-E21 VanDerWaalsContact CG-OE1 3.3Å; Q17-E21 WeakPolarHBondContact CG-OE1 3.26Å; Q17-E21 PolarHBondContact NE2-OE1 3.23Å; Q17-E21 WeakPolarHBondContact O-CG 3.07Å; Q17-E21 PolarHBondContact O-N 3.19Å
18L91Very high75.4Confident7 Ų788.2 Ų88.24%0.03745%0.451CS..Hα-helixtrans-52.8-40.3179.7-174.166.6000112.7R16 M22 F43 V44 K47 L110 F114R16-L18 VanDerWaalsContact C-N 3.32Å; R16-L18 PolarHBondContact O-N 3.32Å; L18-M22 VanDerWaalsContact O-CB 3.23Å; L18-M22 WeakPolarHBondContact O-CB 3.36Å; L18-M22 PolarHBondContact O-N 3.01Å; L18-F43 HydrophobicContact CD1-CE1 4.14Å; L18-V44 HydrophobicContact CD1-CG2 4.35Å; L18-V44 HydrophobicContact CD2-CG1 4.15Å; L18-V44 HydrophobicContact CD2-CG2 4.11Å; L18-V44 HydrophobicContact CG-CG2 4.32Å; L18-K47 HydrophobicContact CD1-CB 3.72Å; L18-K47 HydrophobicContact CD1-CG 4.26Å; L18-L110 HydrophobicContact CB-CD2 4.29Å; L18-F114 HydrophobicContact CD2-CB 3.85Å; L18-F114 HydrophobicContact CD2-CD2 4.03Å; L18-F114 HydrophobicContact CD2-CG 4.21Å
19Y92.9Very high78.3Confident34 Ų3480.3 Ų80.313%0.13343%0.426CS..Hα-helixtrans-79.3-33.8-179.7-65.5-67.7000113.3R16 Q17 M22 R23 A117 A180 F182R16-Y19 PolarHBondContact O-N 2.79Å; Q17-Y19 PolarHBondContact O-N 2.94Å; Y19-M22 HydrophobicContact CD1-CE 3.97Å; Y19-M22 HydrophobicContact CE1-CE 4.44Å; Y19-R23 WeakPolarHBondContact O-CG 3.42Å; Y19-R23 PolarHBondContact O-N 3.46Å; Y19-R23 VanDerWaalsContact O-N 3.11Å; Y19-A117 HydrophobicContact CE2-CB 4.36Å; Y19-A117 WeakPolarHBondContact OH-CB 3.47Å; Y19-A180 WeakPolarHBondContact CE1-O 3.41Å; Y19-A180 PolarHBondContact OH-O 3.16Å; Y19-A180 VanDerWaalsContact OH-O 3.1Å; Y19-F182 AromaticContact CD1-CE2 3.78Å; Y19-F182 HydrophobicContact CD1-CE2 3.78Å; Y19-F182 HydrophobicContact CD1-CZ 4.25Å; Y19-F182 HydrophobicContact CE1-CE2 4.11Å; Y19-F182 HydrophobicContact CE1-CZ 4.4Å
20V91.8Very high81.4Confident96 Ų9677.5 Ų77.558%0.58240%0.395SS*.Hα-helixtrans-66-48.71741740000109.9R16 Q17 M22 R23 A24R16-V20 PolarHBondContact O-N 3.25Å; Q17-V20 PolarHBondContact O-N 3.16Å; Q17-V20 VanDerWaalsContact O-N 3.11Å; V20-M22 PolarHBondContact O-N 3.12Å; V20-R23 PolarHBondContact O-N 2.89Å; V20-A24 PolarHBondContact O-N 3.19Å; V20-A24 VanDerWaalsContact O-N 3.09Å
21E93.4Very high84.1Confident53 Ų5377.1 Ų77.125%0.24838%0.383CS..Hα-helixtrans-65.1-38.1177.2-65.9-176.3-166.600112.2Q17 R23 A24 Q25 F43 K47Q17-E21 HydrophobicContact CG-CG 4.29Å; Q17-E21 VanDerWaalsContact CG-OE1 3.3Å; Q17-E21 WeakPolarHBondContact CG-OE1 3.26Å; Q17-E21 PolarHBondContact NE2-OE1 3.23Å; Q17-E21 WeakPolarHBondContact O-CG 3.07Å; Q17-E21 PolarHBondContact O-N 3.19Å; E21-R23 VanDerWaalsContact C-N 3.34Å; E21-R23 PolarHBondContact O-N 2.99Å; E21-A24 WeakPolarHBondContact O-CB 3.4Å; E21-A24 PolarHBondContact O-N 3.26Å; E21-Q25 PolarHBondContact O-N 3Å; E21-F43 HydrophobicContact CB-CZ 3.83Å; E21-K47 WeakPolarHBondContact OE2-CD 3.37Å; E21-K47 WeakPolarHBondContact OE2-CE 3.44Å; E21-K47 IonicContact OE2-NZ 2.87Å; E21-K47 PolarHBondContact OE2-NZ 2.89Å
22M94.8Very high86Confident6 Ų675.5 Ų75.53%0.0338%0.375CS..Hα-helixtrans-63-38.3175.9-171.2174.370.200112.3L18 Y19 V20 Q25 L27 K40 F43 V181L18-M22 VanDerWaalsContact O-CB 3.23Å; L18-M22 WeakPolarHBondContact O-CB 3.36Å; L18-M22 PolarHBondContact O-N 3.01Å; Y19-M22 HydrophobicContact CD1-CE 3.97Å; Y19-M22 HydrophobicContact CE1-CE 4.44Å; V20-M22 PolarHBondContact O-N 3.12Å; M22-Q25 PolarHBondContact O-N 2.86Å; M22-L27 HydrophobicContact CG-CD1 4.16Å; M22-K40 HydrophobicContact CE-CD 4.41Å; M22-K40 HydrophobicContact CE-CG 4.41Å; M22-K40 HydrophobicContact CG-CG 4.36Å; M22-K40 HydrophobicContact SD-CB 3.77Å; M22-K40 HydrophobicContact SD-CD 4.39Å; M22-K40 HydrophobicContact SD-CG 3.78Å; M22-F43 HydrophobicContact CB-CD1 3.75Å; M22-F43 HydrophobicContact CB-CE1 3.53Å; M22-F43 HydrophobicContact CB-CZ 4.24Å; M22-F43 HydrophobicContact CG-CD1 3.8Å; M22-F43 HydrophobicContact CG-CE1 4.12Å; M22-F43 HydrophobicContact CG-CG 4.39Å; M22-F43 HydrophobicContact SD-CD1 4.32Å; M22-V181 HydrophobicContact CE-CB 4.13Å; M22-V181 HydrophobicContact CE-CG1 4.33Å; M22-V181 HydrophobicContact SD-CB 4.39Å; M22-V181 HydrophobicContact SD-CG1 4.23Å
23R92.4Very high88.3Confident164 Ų16471.1 Ų71.162%0.61936%0.356SS*.Hα-helixtrans-67.4-35.7173.8-75.1-178.5-177.1-162.12.1112.2Y19 V20 E21 Q25 D26Y19-R23 WeakPolarHBondContact O-CG 3.42Å; Y19-R23 PolarHBondContact O-N 3.46Å; Y19-R23 VanDerWaalsContact O-N 3.11Å; V20-R23 PolarHBondContact O-N 2.89Å; E21-R23 VanDerWaalsContact C-N 3.34Å; E21-R23 PolarHBondContact O-N 2.99Å; R23-Q25 PolarHBondContact O-N 3.43Å; R23-Q25 VanDerWaalsContact O-N 3.16Å; R23-D26 PolarHBondContact O-N 2.98Å
24A94.6Very high90.3Very high80 Ų8069.4 Ų69.466%0.66134%0.339SS*.Hα-helixtrans-65.6-12.417600000113.8V20 E21V20-A24 PolarHBondContact O-N 3.19Å; V20-A24 VanDerWaalsContact O-N 3.09Å; E21-A24 WeakPolarHBondContact O-CB 3.4Å; E21-A24 PolarHBondContact O-N 3.26Å
25Q93.5Very high92.1Very high113 Ų11366.3 Ų66.353%0.52832%0.321SS..THydrogen-bonded Turntrans-85.6-0.5171.5-59.8-59.7-80.200113.9E21 M22 R23 L27 F43E21-Q25 PolarHBondContact O-N 3Å; M22-Q25 PolarHBondContact O-N 2.86Å; R23-Q25 PolarHBondContact O-N 3.43Å; R23-Q25 VanDerWaalsContact O-N 3.16Å; Q25-L27 HydrophobicContact CB-CD1 4.33Å; Q25-L27 HydrophobicContact CB-CD2 4.3Å; Q25-L27 HydrophobicContact CB-CG 3.85Å; Q25-L27 PolarHBondContact O-N 2.91Å; Q25-L27 VanDerWaalsContact O-N 3.08Å; Q25-F43 HydrophobicContact CG-CD2 3.84Å; Q25-F43 HydrophobicContact CG-CE2 3.56Å; Q25-F43 HydrophobicContact CG-CZ 4.39Å
26D93.6Very high93.7Very high76 Ų7662.2 Ų62.241%0.40631%0.305SS..THydrogen-bonded Turntrans52.331.1-179.5-174.243.1000114.2R23 D28 S29 R273R23-D26 PolarHBondContact O-N 2.98Å; D26-D28 PolarHBondContact O-N 3.36Å; D26-S29 WeakPolarHBondContact O-CB 3.45Å; D26-S29 PolarHBondContact O-N 3.31Å; D26-S29 PolarHBondContact O-OG 2.88Å; D26-S29 WeakPolarHBondContact OD2-CB 3.29Å; D26-S29 PolarHBondContact OD2-OG 3.24Å; D26-R273 IonicContact OD2-CZ 3.49Å; D26-R273 IonicContact OD2-NH1 2.94Å; D26-R273 PolarHBondContact OD2-NH1 2.96Å; D26-R273 IonicContact OD2-NH2 2.67Å; D26-R273 PolarHBondContact OD2-NH2 3.44Å
27L95.6Very high94.6Very high27 Ų2755 Ų5514%0.14128%0.278CS..G310 helixtrans-65.1-25.2-179.3-62.6179.5000112.4M22 Q25 S29 I30 R36 C39 K40 F43M22-L27 HydrophobicContact CG-CD1 4.16Å; Q25-L27 HydrophobicContact CB-CD1 4.33Å; Q25-L27 HydrophobicContact CB-CD2 4.3Å; Q25-L27 HydrophobicContact CB-CG 3.85Å; Q25-L27 PolarHBondContact O-N 2.91Å; Q25-L27 VanDerWaalsContact O-N 3.08Å; L27-S29 PolarHBondContact O-N 2.88Å; L27-I30 HydrophobicContact CD2-CD1 4.11Å; L27-I30 WeakPolarHBondContact O-CB 3.37Å; L27-I30 WeakPolarHBondContact O-CG1 3.37Å; L27-I30 PolarHBondContact O-N 3.23Å; L27-I30 VanDerWaalsContact O-N 3.09Å; L27-R36 WeakPolarHBondContact O-CG 3.47Å; L27-C39 HydrophobicContact CD1-CB 4.44Å; L27-C39 HydrophobicContact CD2-CB 4.15Å; L27-K40 HydrophobicContact CB-CG 4.12Å; L27-K40 HydrophobicContact CD1-CB 4.49Å; L27-K40 HydrophobicContact CD1-CG 3.87Å; L27-F43 HydrophobicContact CD1-CB 4.29Å
28D95.3Very high95.1Very high84 Ų8452.2 Ų52.245%0.44927%0.265SS..G310 helixtrans-63.1-20.8177.6-70.3-53.5000113.3D26 I30 K40D26-D28 PolarHBondContact O-N 3.36Å; D28-I30 PolarHBondContact O-N 2.87Å; D28-K40 WeakPolarHBondContact OD1-CE 3.4Å; D28-K40 IonicContact OD1-NZ 2.72Å; D28-K40 PolarHBondContact OD1-NZ 2.89Å
29S96.3Very high95.5Very high36 Ų3652.7 Ų52.725%0.25227%0.268SS..G310 helixtrans-67.5-17172.669.50000114.7D26 L27 R31 R273D26-S29 WeakPolarHBondContact O-CB 3.45Å; D26-S29 PolarHBondContact O-N 3.31Å; D26-S29 PolarHBondContact O-OG 2.88Å; D26-S29 WeakPolarHBondContact OD2-CB 3.29Å; D26-S29 PolarHBondContact OD2-OG 3.24Å; L27-S29 PolarHBondContact O-N 2.88Å; S29-R31 PolarHBondContact O-N 2.92Å; S29-R31 VanDerWaalsContact O-N 3.14Å; S29-R273 PolarHBondContact OG-NH1 2.88Å; S29-R273 VanDerWaalsContact OG-NH1 3.08Å; S29-R273 PolarHBondContact OG-NH2 3.36Å; S29-R273 VanDerWaalsContact OG-NH2 3.14Å
30I97.2Very high95.7Very high7 Ų751.1 Ų51.14%0.03626%0.262CS..  trans-69111.9-179.3-64.8170000108.8L27 D28 L32 R36 C39 W272L27-I30 HydrophobicContact CD2-CD1 4.11Å; L27-I30 WeakPolarHBondContact O-CB 3.37Å; L27-I30 WeakPolarHBondContact O-CG1 3.37Å; L27-I30 PolarHBondContact O-N 3.23Å; L27-I30 VanDerWaalsContact O-N 3.09Å; D28-I30 PolarHBondContact O-N 2.87Å; I30-L32 VanDerWaalsContact C-N 3.32Å; I30-L32 PolarHBondContact O-N 3.22Å; I30-R36 HydrophobicContact CB-CB 3.88Å; I30-R36 HydrophobicContact CB-CG 4.2Å; I30-R36 HydrophobicContact CG2-CB 3.83Å; I30-R36 WeakPolarHBondContact O-CD 3.45Å; I30-R36 PolarHBondContact O-NH1 3.3Å; I30-C39 HydrophobicContact CD1-CB 4.17Å; I30-W272 HydrophobicContact CD1-CE3 3.77Å; I30-W272 HydrophobicContact CD1-CZ3 4.14Å; I30-W272 HydrophobicContact CG1-CB 4.37Å; I30-W272 HydrophobicContact CG1-CE3 4.18Å; I30-W272 HydrophobicContact CG2-CB 4.06Å; I30-W272 HydrophobicContact CG2-CG 4.36Å
31R95.8Very high96Very high130 Ų13046.6 Ų46.649%0.49124%0.235SC..SBendtrans-62.4-38-175.4-175.5176.464.995.4-6112.7S29 S33 W272S29-R31 PolarHBondContact O-N 2.92Å; S29-R31 VanDerWaalsContact O-N 3.14Å; R31-S33 PolarHBondContact O-N 3.49Å; R31-W272 WeakPolarHBondContact CB-O 3.44Å; R31-W272 PolarHBondContact N-O 3.34Å
32L95.1Very high96.2Very high48 Ų4845.5 Ų45.525%0.25123%0.228SC..SBendtrans-86.2108.2-175.7-59.5170000110.3I30 T34 Y35 R36 F271I30-L32 VanDerWaalsContact C-N 3.32Å; I30-L32 PolarHBondContact O-N 3.22Å; L32-T34 VanDerWaalsContact C-N 3.26Å; L32-T34 PolarHBondContact O-N 3.03Å; L32-T34 VanDerWaalsContact O-N 3.16Å; L32-Y35 HydrophobicContact CB-CD2 3.74Å; L32-Y35 HydrophobicContact CD1-CD2 3.77Å; L32-Y35 HydrophobicContact CD1-CE2 3.89Å; L32-Y35 HydrophobicContact CG-CD2 4.42Å; L32-Y35 PolarHBondContact O-N 3.12Å; L32-Y35 VanDerWaalsContact O-N 3.1Å; L32-R36 PolarHBondContact O-N 2.97Å; L32-F271 HydrophobicContact CD1-CD1 4.43Å; L32-F271 HydrophobicContact CD1-CE1 3.72Å; L32-F271 HydrophobicContact CD1-CZ 3.95Å
33S96.8Very high96.4Very high34 Ų3446.4 Ų46.424%0.23823%0.232CC..Hα-helixtrans-53.2-38.7-175.253.60000113.8R31 Y35 R36 T37 S186R31-S33 PolarHBondContact O-N 3.49Å; S33-Y35 PolarHBondContact O-N 3.29Å; S33-R36 PolarHBondContact O-N 3.49Å; S33-T37 WeakPolarHBondContact O-CB 3.26Å; S33-T37 PolarHBondContact O-N 2.93Å; S33-T37 PolarHBondContact O-OG1 3.19Å; S33-S186 VanDerWaalsContact CB-OG 3.23Å; S33-S186 WeakPolarHBondContact CB-OG 3.4Å
34T96.4Very high96.7Very high31 Ų3138.8 Ų38.819%0.1920%0.204CC..Hα-helixtrans-60.6-46.5178.8-40.10000112.5L32 A38 F187 V223 L227L32-T34 VanDerWaalsContact C-N 3.26Å; L32-T34 PolarHBondContact O-N 3.03Å; L32-T34 VanDerWaalsContact O-N 3.16Å; T34-A38 WeakPolarHBondContact O-CB 3.34Å; T34-A38 PolarHBondContact O-N 3.22Å; T34-F187 HydrophobicContact CG2-CZ 4.21Å; T34-V223 HydrophobicContact CG2-CB 4.32Å; T34-V223 HydrophobicContact CG2-CG1 3.7Å; T34-V223 HydrophobicContact CG2-CG2 4Å; T34-L227 HydrophobicContact CG2-CD2 3.79Å
35Y97.1Very high96.8Very high32 Ų3235.2 Ų35.213%0.12517%0.174CC..Hα-helixtrans-67.8-45.4175.9-70.9-84.6000110.7L32 S33 T37 A38 C39 L227 F254 Y256 F271 W272 E288L32-Y35 HydrophobicContact CB-CD2 3.74Å; L32-Y35 HydrophobicContact CD1-CD2 3.77Å; L32-Y35 HydrophobicContact CD1-CE2 3.89Å; L32-Y35 HydrophobicContact CG-CD2 4.42Å; L32-Y35 PolarHBondContact O-N 3.12Å; L32-Y35 VanDerWaalsContact O-N 3.1Å; S33-Y35 PolarHBondContact O-N 3.29Å; Y35-T37 VanDerWaalsContact C-N 3.32Å; Y35-T37 PolarHBondContact O-N 3.06Å; Y35-A38 PolarHBondContact O-N 3.44Å; Y35-C39 WeakPolarHBondContact O-CB 3.4Å; Y35-C39 PolarHBondContact O-N 2.78Å; Y35-C39 PolarHBondContact O-SG 2.92Å; Y35-L227 HydrophobicContact CD1-CD1 4.13Å; Y35-L227 HydrophobicContact CD1-CD2 3.64Å; Y35-L227 HydrophobicContact CD1-CG 4.32Å; Y35-L227 HydrophobicContact CD2-CD2 4.36Å; Y35-L227 HydrophobicContact CE1-CD1 3.76Å; Y35-L227 HydrophobicContact CE1-CD2 3.92Å; Y35-L227 HydrophobicContact CE1-CG 4.41Å; Y35-L227 HydrophobicContact CG-CD2 3.9Å; Y35-F254 HydrophobicContact CE1-CD2 4.32Å; Y35-F254 HydrophobicContact CE1-CE2 4.1Å; Y35-Y256 WeakPolarHBondContact CE1-OH 3.34Å; Y35-Y256 VanDerWaalsContact CZ-OH 3.25Å; Y35-Y256 PolarHBondContact OH-OH 2.97Å; Y35-F271 HydrophobicContact CE2-CE1 4.5Å; Y35-W272 HydrophobicContact CD1-CD2 4.41Å; Y35-W272 AromaticContact CD1-CE2 3.34Å; Y35-W272 AromaticContact CD1-CZ2 3.4Å; Y35-W272 HydrophobicContact CD1-CZ2 3.4Å; Y35-W272 VanDerWaalsContact CD1-CZ2 3.4Å; Y35-W272 AromaticContact CD1-NE1 3.11Å; Y35-W272 AromaticContact CE1-CE2 3.96Å; Y35-W272 HydrophobicContact CE1-CZ2 4.03Å; Y35-W272 AromaticContact CE1-NE1 3.4Å; Y35-W272 AromaticContact CG-CD1 3.95Å; Y35-W272 AromaticContact CG-CE2 3.81Å; Y35-W272 HydrophobicContact CG-CZ2 4.22Å; Y35-W272 AromaticContact CG-NE1 3.45Å; Y35-W272 AromaticContact CZ-NE1 3.96Å; Y35-E288 PolarHBondContact OH-OE2 3.43Å
36R98Very high97Very high39 Ų3933.5 Ų33.515%0.14717%0.165CC..Hα-helixtrans-54.6-47.4177.4-171.117161.3-119.5-0.3112.2L27 I30 L32 S33 C39 K40 E183L27-R36 WeakPolarHBondContact O-CG 3.47Å; I30-R36 HydrophobicContact CB-CB 3.88Å; I30-R36 HydrophobicContact CB-CG 4.2Å; I30-R36 HydrophobicContact CG2-CB 3.83Å; I30-R36 WeakPolarHBondContact O-CD 3.45Å; I30-R36 PolarHBondContact O-NH1 3.3Å; L32-R36 PolarHBondContact O-N 2.97Å; S33-R36 PolarHBondContact O-N 3.49Å; R36-C39 PolarHBondContact O-N 3.46Å; R36-K40 HydrophobicContact CG-CD 4.27Å; R36-K40 WeakPolarHBondContact O-CB 3.44Å; R36-K40 VanDerWaalsContact O-CG 3.28Å; R36-K40 WeakPolarHBondContact O-CG 3.24Å; R36-K40 PolarHBondContact O-N 2.89Å; R36-E183 VanDerWaalsContact CD-OE1 3.29Å; R36-E183 WeakPolarHBondContact CD-OE1 3.32Å; R36-E183 WeakPolarHBondContact CG-OE1 3.06Å; R36-E183 IonicContact CZ-OE1 3.52Å; R36-E183 IonicContact CZ-OE2 3.83Å; R36-E183 VanDerWaalsContact NE-CD 3.27Å; R36-E183 IonicContact NE-OE1 3.46Å; R36-E183 PolarHBondContact NE-OE1 2.8Å; R36-E183 IonicContact NE-OE2 2.77Å; R36-E183 PolarHBondContact NE-OE2 3.02Å; R36-E183 IonicContact NH2-OE1 3.53Å; R36-E183 IonicContact NH2-OE2 3.91Å; R36-E183 PolarHBondContact NH2-OE2 2.87Å
37T98.4Very high97.1Very high0 Ų034 Ų340%016%0.163CC..Hα-helixtrans-63.4-48.3177.5-52.90000111.6S33 Y35 C39 K40 L41 P178 E183 F187 W224S33-T37 WeakPolarHBondContact O-CB 3.26Å; S33-T37 PolarHBondContact O-N 2.93Å; S33-T37 PolarHBondContact O-OG1 3.19Å; Y35-T37 VanDerWaalsContact C-N 3.32Å; Y35-T37 PolarHBondContact O-N 3.06Å; T37-C39 PolarHBondContact O-N 3.37Å; T37-K40 PolarHBondContact O-N 3.07Å; T37-L41 HydrophobicContact CG2-CD1 4.01Å; T37-L41 WeakPolarHBondContact O-CB 3.45Å; T37-L41 WeakPolarHBondContact O-CG 3.23Å; T37-L41 PolarHBondContact O-N 2.75Å; T37-P178 HydrophobicContact CG2-CB 3.86Å; T37-P178 HydrophobicContact CG2-CG 4.02Å; T37-E183 HydrophobicContact CG2-CB 4.11Å; T37-E183 HydrophobicContact CG2-CG 4.19Å; T37-E183 WeakPolarHBondContact OG1-CB 3.45Å; T37-E183 VanDerWaalsContact OG1-CG 3.26Å; T37-E183 WeakPolarHBondContact OG1-CG 3.42Å; T37-F187 HydrophobicContact CG2-CD2 3.97Å; T37-F187 HydrophobicContact CG2-CE2 4.38Å; T37-F187 WeakPolarHBondContact OG1-CD2 3.37Å; T37-F187 WeakPolarHBondContact OG1-CE2 3.15Å; T37-W224 HydrophobicContact CG2-CB 3.93Å; T37-W224 HydrophobicContact CG2-CG 4.06Å
38A98.1Very high97.1Very high0 Ų032.8 Ų32.80%016%0.156CC..Hα-helixtrans-65.1-37.1179.700000112.3T34 Y35 R42 L227 M228 L231T34-A38 WeakPolarHBondContact O-CB 3.34Å; T34-A38 PolarHBondContact O-N 3.22Å; Y35-A38 PolarHBondContact O-N 3.44Å; A38-R42 WeakPolarHBondContact O-CB 3.27Å; A38-R42 PolarHBondContact O-N 2.83Å; A38-L227 HydrophobicContact CB-CB 4.04Å; A38-L227 HydrophobicContact CB-CD2 3.92Å; A38-L227 HydrophobicContact CB-CG 3.83Å; A38-M228 HydrophobicContact CB-CB 4.38Å; A38-L231 HydrophobicContact CB-CD1 3.61Å
39C97.9Very high97.2Very high16 Ų1630.4 Ų30.411%0.10814%0.144CC..Hα-helixtrans-67.3-45.3174.1-70.20000112.3L27 I30 Y35 R36 T37 R42 F43 W272L27-C39 HydrophobicContact CD1-CB 4.44Å; L27-C39 HydrophobicContact CD2-CB 4.15Å; I30-C39 HydrophobicContact CD1-CB 4.17Å; Y35-C39 WeakPolarHBondContact O-CB 3.4Å; Y35-C39 PolarHBondContact O-N 2.78Å; Y35-C39 PolarHBondContact O-SG 2.92Å; R36-C39 PolarHBondContact O-N 3.46Å; T37-C39 PolarHBondContact O-N 3.37Å; C39-R42 PolarHBondContact O-N 3.18Å; C39-F43 WeakPolarHBondContact O-CB 3.18Å; C39-F43 PolarHBondContact O-N 3.43Å; C39-W272 WeakPolarHBondContact SG-CH2 3.39Å; C39-W272 WeakPolarHBondContact SG-CZ3 3.24Å
40K98.3Very high97.3Very high1 Ų128.7 Ų28.70%0.00413%0.132CC..Hα-helixtrans-60.4-44.8175.3-75.4173.9169.4-175.10111.8M22 L27 D28 R36 T37 F43 V44 V181 E183M22-K40 HydrophobicContact CE-CD 4.41Å; M22-K40 HydrophobicContact CE-CG 4.41Å; M22-K40 HydrophobicContact CG-CG 4.36Å; M22-K40 HydrophobicContact SD-CB 3.77Å; M22-K40 HydrophobicContact SD-CD 4.39Å; M22-K40 HydrophobicContact SD-CG 3.78Å; L27-K40 HydrophobicContact CB-CG 4.12Å; L27-K40 HydrophobicContact CD1-CB 4.49Å; L27-K40 HydrophobicContact CD1-CG 3.87Å; D28-K40 WeakPolarHBondContact OD1-CE 3.4Å; D28-K40 IonicContact OD1-NZ 2.72Å; D28-K40 PolarHBondContact OD1-NZ 2.89Å; R36-K40 HydrophobicContact CG-CD 4.27Å; R36-K40 WeakPolarHBondContact O-CB 3.44Å; R36-K40 VanDerWaalsContact O-CG 3.28Å; R36-K40 WeakPolarHBondContact O-CG 3.24Å; R36-K40 PolarHBondContact O-N 2.89Å; T37-K40 PolarHBondContact O-N 3.07Å; K40-F43 WeakPolarHBondContact O-CB 3.19Å; K40-F43 PolarHBondContact O-N 3.36Å; K40-V44 WeakPolarHBondContact O-CG2 3.39Å; K40-V44 PolarHBondContact O-N 3.43Å; K40-V181 HydrophobicContact CB-CB 3.98Å; K40-V181 HydrophobicContact CB-CG1 4.36Å; K40-V181 HydrophobicContact CB-CG2 3.94Å; K40-V181 HydrophobicContact CD-CB 4.13Å; K40-V181 HydrophobicContact CD-CG2 4.2Å; K40-V181 WeakPolarHBondContact CD-O 3.21Å; K40-V181 PolarHBondContact NZ-O 2.8Å; K40-V181 VanDerWaalsContact NZ-O 3.08Å; K40-E183 HydrophobicContact CD-CG 4.14Å; K40-E183 WeakPolarHBondContact CE-OE1 3.39Å; K40-E183 IonicContact NZ-OE1 2.81Å; K40-E183 PolarHBondContact NZ-OE1 3.19Å
41L98.4Very high97.2Very high2 Ų231.2 Ų31.21%0.0114%0.143CC..Hα-helixtrans-70.9-35.3177.3-67172.9000112.6T37 F43 V44 Q45 F114 L177 P178 V181 W224 M228T37-L41 HydrophobicContact CG2-CD1 4.01Å; T37-L41 WeakPolarHBondContact O-CB 3.45Å; T37-L41 WeakPolarHBondContact O-CG 3.23Å; T37-L41 PolarHBondContact O-N 2.75Å; L41-F43 VanDerWaalsContact C-N 3.33Å; L41-V44 PolarHBondContact O-N 3.45Å; L41-Q45 VanDerWaalsContact O-CB 3.29Å; L41-Q45 WeakPolarHBondContact O-CB 3.35Å; L41-Q45 PolarHBondContact O-N 2.85Å; L41-F114 HydrophobicContact CD2-CZ 4.06Å; L41-L177 HydrophobicContact CD2-CB 4.23Å; L41-P178 HydrophobicContact CD1-CG 4.34Å; L41-V181 HydrophobicContact CD2-CG1 3.89Å; L41-V181 HydrophobicContact CD2-CG2 4.07Å; L41-V181 HydrophobicContact CG-CG2 4.15Å; L41-W224 HydrophobicContact CD1-CD2 4.12Å; L41-W224 HydrophobicContact CD1-CE3 3.42Å; L41-W224 VanDerWaalsContact CD1-CE3 3.42Å; L41-W224 HydrophobicContact CD1-CH2 4.24Å; L41-W224 HydrophobicContact CD1-CZ3 3.5Å; L41-M228 HydrophobicContact CB-SD 3.81Å
42R97.8Very high97.2Very high29 Ų2928.1 Ų28.111%0.10914%0.136CC..Hα-helixtrans-64.7-35.3170.3-177.860.6174.4167.22.2112A38 C39 Q45 K46 M228 E235A38-R42 WeakPolarHBondContact O-CB 3.27Å; A38-R42 PolarHBondContact O-N 2.83Å; C39-R42 PolarHBondContact O-N 3.18Å; R42-Q45 VanDerWaalsContact CD-OE1 3.25Å; R42-Q45 PolarHBondContact O-N 2.98Å; R42-K46 WeakPolarHBondContact O-CB 3.38Å; R42-K46 PolarHBondContact O-N 3.12Å; R42-M228 HydrophobicContact CB-CG 4.08Å; R42-E235 IonicContact CZ-OE2 3.62Å; R42-E235 IonicContact NE-OE2 2.65Å; R42-E235 PolarHBondContact NE-OE2 2.98Å; R42-E235 VanDerWaalsContact NE-OE2 3.14Å; R42-E235 IonicContact NH2-OE1 3.69Å; R42-E235 PolarHBondContact NH2-OE1 3.32Å; R42-E235 IonicContact NH2-OE2 2.71Å; R42-E235 PolarHBondContact NH2-OE2 3.14Å
43F97.9Very high97.3Very high26 Ų2625.9 Ų25.911%0.11413%0.125CC..Hα-helixtrans-63.2-49.3173.1174-89.3000111.2L18 E21 M22 Q25 L27 C39 K40 L41 Q45 K46 K47L18-F43 HydrophobicContact CD1-CE1 4.14Å; E21-F43 HydrophobicContact CB-CZ 3.83Å; M22-F43 HydrophobicContact CB-CD1 3.75Å; M22-F43 HydrophobicContact CB-CE1 3.53Å; M22-F43 HydrophobicContact CB-CZ 4.24Å; M22-F43 HydrophobicContact CG-CD1 3.8Å; M22-F43 HydrophobicContact CG-CE1 4.12Å; M22-F43 HydrophobicContact CG-CG 4.39Å; M22-F43 HydrophobicContact SD-CD1 4.32Å; Q25-F43 HydrophobicContact CG-CD2 3.84Å; Q25-F43 HydrophobicContact CG-CE2 3.56Å; Q25-F43 HydrophobicContact CG-CZ 4.39Å; L27-F43 HydrophobicContact CD1-CB 4.29Å; C39-F43 WeakPolarHBondContact O-CB 3.18Å; C39-F43 PolarHBondContact O-N 3.43Å; K40-F43 WeakPolarHBondContact O-CB 3.19Å; K40-F43 PolarHBondContact O-N 3.36Å; L41-F43 VanDerWaalsContact C-N 3.33Å; F43-Q45 PolarHBondContact O-N 3.19Å; F43-K46 PolarHBondContact O-N 2.86Å; F43-K46 VanDerWaalsContact O-N 3.17Å; F43-K47 HydrophobicContact CD1-CG 4.27Å; F43-K47 HydrophobicContact CD2-CG 4.47Å; F43-K47 HydrophobicContact CE1-CG 3.77Å; F43-K47 HydrophobicContact CE2-CG 4.02Å; F43-K47 HydrophobicContact CZ-CD 4.17Å; F43-K47 HydrophobicContact CZ-CG 3.64Å; F43-K47 PolarHBondContact O-N 2.88Å
44V97.8Very high97.3Very high4 Ų426.9 Ų26.92%0.02413%0.127CC..Hα-helixtrans-59.1-46.8174.7173.50000111.2L18 K40 L41 K46 K47 C48 F114 V181L18-V44 HydrophobicContact CD1-CG2 4.35Å; L18-V44 HydrophobicContact CD2-CG1 4.15Å; L18-V44 HydrophobicContact CD2-CG2 4.11Å; L18-V44 HydrophobicContact CG-CG2 4.32Å; K40-V44 WeakPolarHBondContact O-CG2 3.39Å; K40-V44 PolarHBondContact O-N 3.43Å; L41-V44 PolarHBondContact O-N 3.45Å; V44-K46 VanDerWaalsContact C-N 3.27Å; V44-K46 PolarHBondContact O-N 3.41Å; V44-K47 PolarHBondContact O-N 3.1Å; V44-C48 WeakPolarHBondContact O-CB 3.47Å; V44-C48 PolarHBondContact O-N 3.44Å; V44-C48 PolarHBondContact O-SG 3.32Å; V44-F114 HydrophobicContact CG1-CD1 3.73Å; V44-F114 HydrophobicContact CG1-CD2 3.99Å; V44-F114 HydrophobicContact CG1-CE1 3.84Å; V44-F114 HydrophobicContact CG1-CE2 4.1Å; V44-F114 HydrophobicContact CG1-CG 3.8Å; V44-F114 HydrophobicContact CG1-CZ 4.04Å; V44-F114 HydrophobicContact CG2-CD2 4.37Å; V44-F114 HydrophobicContact CG2-CE2 4.16Å; V44-V181 HydrophobicContact CG2-CG1 4.23Å
45Q98Very high97.4Very high4 Ų425.7 Ų25.72%0.01912%0.12CC..Hα-helixtrans-59.6-34.2176.4-177.6-172.961.500113L41 R42 F43 L50 H51 I139 C140L41-Q45 VanDerWaalsContact O-CB 3.29Å; L41-Q45 WeakPolarHBondContact O-CB 3.35Å; L41-Q45 PolarHBondContact O-N 2.85Å; R42-Q45 VanDerWaalsContact CD-OE1 3.25Å; R42-Q45 PolarHBondContact O-N 2.98Å; F43-Q45 PolarHBondContact O-N 3.19Å; Q45-L50 HydrophobicContact CG-CB 4.21Å; Q45-L50 PolarHBondContact O-N 3.11Å; Q45-L50 VanDerWaalsContact O-N 3.13Å; Q45-H51 HydrophobicContact CG-CB 4.01Å; Q45-H51 PolarHBondContact O-N 3.3Å; Q45-H51 VanDerWaalsContact O-N 3.11Å; Q45-H51 PolarHBondContact O-ND1 2.84Å; Q45-I139 WeakPolarHBondContact CG-O 3.14Å; Q45-I139 PolarHBondContact NE2-O 2.94Å; Q45-C140 PolarHBondContact NE2-O 3.25Å
46K96.8Very high97.4Very high78 Ų7831.9 Ų31.934%0.33914%0.143SC..Hα-helixtrans-72.3-52173.1-81.1-167.9170.3-173.20111.9R42 F43 V44 C48 N49 H51 E235R42-K46 WeakPolarHBondContact O-CB 3.38Å; R42-K46 PolarHBondContact O-N 3.12Å; F43-K46 PolarHBondContact O-N 2.86Å; F43-K46 VanDerWaalsContact O-N 3.17Å; V44-K46 VanDerWaalsContact C-N 3.27Å; V44-K46 PolarHBondContact O-N 3.41Å; K46-C48 PolarHBondContact O-N 2.7Å; K46-N49 PolarHBondContact O-N 2.79Å; K46-H51 WeakPolarHBondContact CA-ND1 3.41Å; K46-H51 PolarHBondContact O-CE1 3.3Å; K46-H51 PolarHBondContact O-ND1 3.2Å; K46-E235 WeakPolarHBondContact CE-OE1 3.47Å; K46-E235 VanDerWaalsContact CE-OE2 3.29Å; K46-E235 WeakPolarHBondContact CE-OE2 3.47Å; K46-E235 IonicContact NZ-OE1 3.74Å; K46-E235 PolarHBondContact NZ-OE1 3.08Å; K46-E235 IonicContact NZ-OE2 3.02Å; K46-E235 PolarHBondContact NZ-OE2 2.91Å
47K95.9Very high97.3Very high87 Ų8730.5 Ų30.538%0.37814%0.139SC..Hα-helixtrans-62.2-37.4-178.3-75.5-76173170.30113.7L18 E21 F43 V44 N49L18-K47 HydrophobicContact CD1-CB 3.72Å; L18-K47 HydrophobicContact CD1-CG 4.26Å; E21-K47 WeakPolarHBondContact OE2-CD 3.37Å; E21-K47 WeakPolarHBondContact OE2-CE 3.44Å; E21-K47 IonicContact OE2-NZ 2.87Å; E21-K47 PolarHBondContact OE2-NZ 2.89Å; F43-K47 HydrophobicContact CD1-CG 4.27Å; F43-K47 HydrophobicContact CD2-CG 4.47Å; F43-K47 HydrophobicContact CE1-CG 3.77Å; F43-K47 HydrophobicContact CE2-CG 4.02Å; F43-K47 HydrophobicContact CZ-CD 4.17Å; F43-K47 HydrophobicContact CZ-CG 3.64Å; F43-K47 PolarHBondContact O-N 2.88Å; V44-K47 PolarHBondContact O-N 3.1Å; K47-N49 PolarHBondContact O-N 3.48Å
48C96.4Very high97.3Very high0 Ų030.6 Ų30.60%014%0.139CC..THydrogen-bonded Turntrans-84.512.1175.2-58.50000113.4V44 K46 L50 F89 L111V44-C48 WeakPolarHBondContact O-CB 3.47Å; V44-C48 PolarHBondContact O-N 3.44Å; V44-C48 PolarHBondContact O-SG 3.32Å; K46-C48 PolarHBondContact O-N 2.7Å; C48-L50 HydrophobicContact CB-CG 4.44Å; C48-L50 PolarHBondContact O-N 3.11Å; C48-F89 WeakPolarHBondContact O-CE1 3.34Å; C48-F89 WeakPolarHBondContact O-CZ 3.45Å; C48-L111 HydrophobicContact CB-CB 4.14Å; C48-L111 HydrophobicContact CB-CD1 4.48Å
49N97Very high97.3Very high35 Ų3533.3 Ų33.319%0.18715%0.153CC..SBendtrans55.33.4-177.9-68.1-53.6000117.3K46 K47 H51 L52 F89 I102 S107K46-N49 PolarHBondContact O-N 2.79Å; K47-N49 PolarHBondContact O-N 3.48Å; N49-H51 PolarHBondContact O-N 3.36Å; N49-H51 VanDerWaalsContact O-N 3.09Å; N49-L52 WeakPolarHBondContact O-CB 3.15Å; N49-L52 PolarHBondContact O-N 3.09Å; N49-F89 HydrophobicContact CB-CE1 4.29Å; N49-I102 HydrophobicContact CB-CD1 3.86Å; N49-I102 HydrophobicContact CB-CG2 4.18Å; N49-S107 PolarHBondContact ND2-OG 3.38Å
50L97.4Very high97.2Very high0 Ų035.2 Ų35.20%016%0.16CC..G310 helixtrans-62.4-17.5179.7-76-178.5000114.7Q45 C48 L52 V53 L88 F89 L111 L136 I139 G141Q45-L50 HydrophobicContact CG-CB 4.21Å; Q45-L50 PolarHBondContact O-N 3.11Å; Q45-L50 VanDerWaalsContact O-N 3.13Å; C48-L50 HydrophobicContact CB-CG 4.44Å; C48-L50 PolarHBondContact O-N 3.11Å; L50-L52 PolarHBondContact O-N 3.18Å; L50-V53 HydrophobicContact CD2-CB 4.18Å; L50-V53 HydrophobicContact CD2-CG1 4.4Å; L50-V53 HydrophobicContact CD2-CG2 4.14Å; L50-V53 PolarHBondContact O-N 3.05Å; L50-V53 VanDerWaalsContact O-N 3.12Å; L50-L88 HydrophobicContact CD2-CD2 3.98Å; L50-F89 HydrophobicContact CD2-CE1 4.15Å; L50-F89 HydrophobicContact CD2-CZ 3.88Å; L50-F89 HydrophobicContact CG-CZ 4.23Å; L50-L111 HydrophobicContact CD1-CD1 3.59Å; L50-L111 HydrophobicContact CD1-CD2 3.76Å; L50-L111 HydrophobicContact CD1-CG 4.34Å; L50-L111 HydrophobicContact CD2-CD2 3.85Å; L50-L111 HydrophobicContact CG-CD1 4.5Å; L50-L111 HydrophobicContact CG-CD2 3.93Å; L50-L136 HydrophobicContact CD1-CD2 4.38Å; L50-I139 HydrophobicContact CD1-CB 4.5Å; L50-I139 HydrophobicContact CD1-CD1 3.48Å; L50-I139 VanDerWaalsContact CD1-CD1 3.48Å; L50-I139 HydrophobicContact CD1-CG1 3.67Å; L50-G141 PolarHBondContact O-N 3.43Å
51H96.4Very high97.2Very high59 Ų5935.2 Ų35.227%0.27316%0.16SC..G310 helixtrans-60.5-2317065.4-71.6000113.7Q45 K46 N49Q45-H51 HydrophobicContact CG-CB 4.01Å; Q45-H51 PolarHBondContact O-N 3.3Å; Q45-H51 VanDerWaalsContact O-N 3.11Å; Q45-H51 PolarHBondContact O-ND1 2.84Å; K46-H51 WeakPolarHBondContact CA-ND1 3.41Å; K46-H51 PolarHBondContact O-CE1 3.3Å; K46-H51 PolarHBondContact O-ND1 3.2Å; N49-H51 PolarHBondContact O-N 3.36Å; N49-H51 VanDerWaalsContact O-N 3.09Å
52L96.2Very high97.2Very high66 Ų6635.3 Ų35.335%0.34616%0.161SC..G310 helixtrans-89.6-10.2176.3-55.7176.8000113.3N49 L50 L92 M96 I102N49-L52 WeakPolarHBondContact O-CB 3.15Å; N49-L52 PolarHBondContact O-N 3.09Å; L50-L52 PolarHBondContact O-N 3.18Å; L52-L92 HydrophobicContact CB-CD1 4.27Å; L52-L92 HydrophobicContact CB-CD2 3.93Å; L52-L92 HydrophobicContact CD1-CD2 4.39Å; L52-L92 WeakPolarHBondContact O-CD1 3.41Å; L52-M96 HydrophobicContact CD1-CE 4.23Å; L52-I102 HydrophobicContact CD1-CG2 4.02Å
53V97.1Very high97.1Very high1 Ų139.7 Ų39.71%0.00618%0.177CC..  trans-102122-174.61780000108.6L50 N57 V58 L88 F89 L92 C140 G141L50-V53 HydrophobicContact CD2-CB 4.18Å; L50-V53 HydrophobicContact CD2-CG1 4.4Å; L50-V53 HydrophobicContact CD2-CG2 4.14Å; L50-V53 PolarHBondContact O-N 3.05Å; L50-V53 VanDerWaalsContact O-N 3.12Å; V53-N57 HydrophobicContact CG1-CB 3.61Å; V53-V58 HydrophobicContact CG1-CG2 3.91Å; V53-L88 HydrophobicContact CG1-CD1 3.69Å; V53-L88 HydrophobicContact CG1-CD2 4.08Å; V53-L88 HydrophobicContact CG1-CG 3.95Å; V53-F89 HydrophobicContact CG2-CD1 4.32Å; V53-F89 HydrophobicContact CG2-CE1 4.01Å; V53-L92 HydrophobicContact CG2-CD2 3.93Å; V53-C140 WeakPolarHBondContact O-CB 3.16Å; V53-G141 WeakPolarHBondContact O-CA 3.32Å; V53-G141 PolarHBondContact O-N 2.76Å
54D96.3Very high97Very high54 Ų5443.7 Ų43.729%0.28920%0.196SC..  trans-91.1-179175.8808.9000113.1W56 N57 V58D54-W56 VanDerWaalsContact C-N 3.29Å; D54-W56 PolarHBondContact O-N 3.45Å; D54-W56 WeakPolarHBondContact OD1-CA 3.34Å; D54-W56 WeakPolarHBondContact OD1-CB 3.38Å; D54-W56 PolarHBondContact OD1-N 3.5Å; D54-N57 PolarHBondContact N-OD1 3.38Å; D54-N57 PolarHBondContact O-N 3.02Å; D54-N57 PolarHBondContact OD1-N 3.07Å; D54-N57 PolarHBondContact OD1-OD1 3.47Å; D54-V58 WeakPolarHBondContact O-CG2 3.37Å; D54-V58 PolarHBondContact O-N 2.89Å
55I98Very high97Very high7 Ų744.7 Ų44.74%0.03620%0.202CC..Hα-helixtrans-67.3-28.5178.9-166.361.2000112.9V58 I59 A137 D146 K147 Y150I55-V58 PolarHBondContact O-N 3.26Å; I55-I59 HydrophobicContact CG1-CD1 4.07Å; I55-I59 WeakPolarHBondContact O-CD1 3.44Å; I55-I59 WeakPolarHBondContact O-CG1 3.29Å; I55-I59 PolarHBondContact O-N 2.85Å; I55-A137 HydrophobicContact CD1-CB 3.69Å; I55-D146 HydrophobicContact CG2-CB 4.01Å; I55-K147 HydrophobicContact CB-CG 4.11Å; I55-K147 HydrophobicContact CD1-CG 4.39Å; I55-K147 HydrophobicContact CG1-CG 4.45Å; I55-Y150 HydrophobicContact CD1-CD1 3.84Å; I55-Y150 HydrophobicContact CD1-CG 3.94Å; I55-Y150 HydrophobicContact CG1-CG 4.11Å
56W96.9Very high96.9Very high161 Ų16145.5 Ų45.561%0.6121%0.211SC*.Hα-helixtrans-73.5-38.1178.5-55103.3000111.3D54 V58 I59 E60D54-W56 VanDerWaalsContact C-N 3.29Å; D54-W56 PolarHBondContact O-N 3.45Å; D54-W56 WeakPolarHBondContact OD1-CA 3.34Å; D54-W56 WeakPolarHBondContact OD1-CB 3.38Å; D54-W56 PolarHBondContact OD1-N 3.5Å; W56-V58 VanDerWaalsContact C-N 3.31Å; W56-V58 PolarHBondContact O-N 3.1Å; W56-I59 HydrophobicContact CE3-CD1 4.34Å; W56-I59 PolarHBondContact O-N 3.3Å; W56-E60 VanDerWaalsContact O-CB 3.27Å; W56-E60 WeakPolarHBondContact O-CB 3.37Å; W56-E60 PolarHBondContact O-N 2.92Å
57N96.7Very high96.9Very high11 Ų1141.8 Ų41.86%0.05920%0.195CC..Hα-helixtrans-56.5-45.5168.1-71.1121.7000111.7V53 D54 E60 A61 L88 R95V53-N57 HydrophobicContact CG1-CB 3.61Å; D54-N57 PolarHBondContact N-OD1 3.38Å; D54-N57 PolarHBondContact O-N 3.02Å; D54-N57 PolarHBondContact OD1-N 3.07Å; D54-N57 PolarHBondContact OD1-OD1 3.47Å; N57-E60 PolarHBondContact O-N 3.03Å; N57-A61 WeakPolarHBondContact O-CB 3.48Å; N57-A61 PolarHBondContact O-N 2.63Å; N57-L88 HydrophobicContact CB-CD1 4.09Å; N57-L88 WeakPolarHBondContact O-CD1 3.16Å; N57-R95 PolarHBondContact ND2-NH1 3.18Å
58V98.2Very high96.7Very high1 Ų142 Ų421%0.00620%0.2CC..Hα-helixtrans-64.5-46.7179.5171.40000111.4V53 D54 I55 W56 E60 A61 F62 L88 L136 C140V53-V58 HydrophobicContact CG1-CG2 3.91Å; D54-V58 WeakPolarHBondContact O-CG2 3.37Å; D54-V58 PolarHBondContact O-N 2.89Å; I55-V58 PolarHBondContact O-N 3.26Å; W56-V58 VanDerWaalsContact C-N 3.31Å; W56-V58 PolarHBondContact O-N 3.1Å; V58-E60 VanDerWaalsContact C-N 3.32Å; V58-E60 PolarHBondContact O-N 3.46Å; V58-A61 PolarHBondContact O-N 2.77Å; V58-F62 HydrophobicContact CG1-CD2 4Å; V58-F62 HydrophobicContact CG1-CE1 4.31Å; V58-F62 HydrophobicContact CG1-CE2 3.33Å; V58-F62 HydrophobicContact CG1-CZ 3.52Å; V58-F62 WeakPolarHBondContact O-CD2 3.48Å; V58-F62 VanDerWaalsContact O-CG 3.24Å; V58-F62 WeakPolarHBondContact O-CG 3.2Å; V58-F62 PolarHBondContact O-N 3.24Å; V58-F62 VanDerWaalsContact O-N 3.07Å; V58-L88 HydrophobicContact CG2-CD1 4.07Å; V58-L136 HydrophobicContact CG1-CB 4.03Å; V58-C140 HydrophobicContact CG2-CB 3.94Å
59I97.7Very high96.6Very high57 Ų5747.7 Ų47.729%0.29224%0.235SC..Hα-helixtrans-59.3-43.2175.8-69.5162.5000111.1I55 W56 F62 R63 Y150I55-I59 HydrophobicContact CG1-CD1 4.07Å; I55-I59 WeakPolarHBondContact O-CD1 3.44Å; I55-I59 WeakPolarHBondContact O-CG1 3.29Å; I55-I59 PolarHBondContact O-N 2.85Å; W56-I59 HydrophobicContact CE3-CD1 4.34Å; W56-I59 PolarHBondContact O-N 3.3Å; I59-F62 WeakPolarHBondContact O-CB 3.37Å; I59-F62 PolarHBondContact O-N 2.85Å; I59-R63 PolarHBondContact O-N 3.49Å; I59-Y150 HydrophobicContact CD1-CD2 3.61Å; I59-Y150 HydrophobicContact CD1-CE2 4.13Å; I59-Y150 HydrophobicContact CD1-CG 4.29Å; I59-Y150 HydrophobicContact CG1-CD2 3.64Å; I59-Y150 HydrophobicContact CG1-CE2 3.64Å; I59-Y150 HydrophobicContact CG1-CG 4.4Å
60E96.5Very high96.5Very high56 Ų5648 Ų4826%0.26224%0.236SC..Hα-helixtrans-70.2-40.7-177.3-173.767.5168.600112.3W56 N57 V58 F62 R63 E64W56-E60 VanDerWaalsContact O-CB 3.27Å; W56-E60 WeakPolarHBondContact O-CB 3.37Å; W56-E60 PolarHBondContact O-N 2.92Å; N57-E60 PolarHBondContact O-N 3.03Å; V58-E60 VanDerWaalsContact C-N 3.32Å; V58-E60 PolarHBondContact O-N 3.46Å; E60-F62 VanDerWaalsContact C-N 3.29Å; E60-F62 PolarHBondContact O-N 3.37Å; E60-R63 VanDerWaalsContact CD-NH2 3.32Å; E60-R63 WeakPolarHBondContact O-CB 3.35Å; E60-R63 PolarHBondContact O-N 3.23Å; E60-R63 VanDerWaalsContact O-N 3.14Å; E60-R63 IonicContact OE1-CZ 3.18Å; E60-R63 IonicContact OE1-NE 2.68Å; E60-R63 IonicContact OE1-NH2 2.76Å; E60-R63 PolarHBondContact OE1-NH2 2.84Å; E60-R63 IonicContact OE2-CZ 2.77Å; E60-R63 IonicContact OE2-NE 2.79Å; E60-R63 PolarHBondContact OE2-NE 3.32Å; E60-R63 IonicContact OE2-NH2 3.98Å; E60-R63 PolarHBondContact OE2-NH2 2.68Å; E60-E64 PolarHBondContact O-N 2.89Å
61A97.4Very high96.3Very high1 Ų152.5 Ų52.51%0.00826%0.26CS..Hα-helixtrans-62.5-35.9172.500000112.1N57 V58 N65 T87 L88N57-A61 WeakPolarHBondContact O-CB 3.48Å; N57-A61 PolarHBondContact O-N 2.63Å; V58-A61 PolarHBondContact O-N 2.77Å; A61-N65 WeakPolarHBondContact O-CB 3.26Å; A61-N65 PolarHBondContact O-N 3.18Å; A61-N65 PolarHBondContact O-ND2 3.34Å; A61-T87 HydrophobicContact CB-CG2 4.13Å; A61-L88 HydrophobicContact CB-CB 4.03Å; A61-L88 HydrophobicContact CB-CD1 3.73Å
62F97.9Very high96.2Very high5 Ų551.3 Ų51.32%0.02226%0.255CS..Hα-helixtrans-67.6-38.1171.5-64.7-23.6000112.7V58 I59 E60 N65 G66 L67 V84 V132 K133 L136V58-F62 HydrophobicContact CG1-CD2 4Å; V58-F62 HydrophobicContact CG1-CE1 4.31Å; V58-F62 HydrophobicContact CG1-CE2 3.33Å; V58-F62 HydrophobicContact CG1-CZ 3.52Å; V58-F62 WeakPolarHBondContact O-CD2 3.48Å; V58-F62 VanDerWaalsContact O-CG 3.24Å; V58-F62 WeakPolarHBondContact O-CG 3.2Å; V58-F62 PolarHBondContact O-N 3.24Å; V58-F62 VanDerWaalsContact O-N 3.07Å; I59-F62 WeakPolarHBondContact O-CB 3.37Å; I59-F62 PolarHBondContact O-N 2.85Å; E60-F62 VanDerWaalsContact C-N 3.29Å; E60-F62 PolarHBondContact O-N 3.37Å; F62-N65 PolarHBondContact O-N 3.19Å; F62-G66 PolarHBondContact O-N 3.33Å; F62-G66 VanDerWaalsContact O-N 3.08Å; F62-L67 HydrophobicContact CB-CB 3.92Å; F62-L67 HydrophobicContact CD1-CB 4.33Å; F62-L67 HydrophobicContact CD1-CD2 3.78Å; F62-L67 HydrophobicContact CE1-CD2 4.16Å; F62-L67 HydrophobicContact CG-CB 4.28Å; F62-L67 PolarHBondContact O-N 3.41Å; F62-V84 HydrophobicContact CD1-CG1 3.88Å; F62-V84 HydrophobicContact CE1-CG1 3.98Å; F62-V132 HydrophobicContact CE1-CG1 3.91Å; F62-V132 HydrophobicContact CZ-CG1 4.29Å; F62-K133 HydrophobicContact CD2-CG 4.03Å; F62-K133 HydrophobicContact CE2-CB 4.09Å; F62-K133 HydrophobicContact CE2-CG 3.68Å; F62-K133 HydrophobicContact CZ-CB 4.44Å; F62-K133 HydrophobicContact CZ-CG 4.14Å; F62-L136 HydrophobicContact CE1-CD1 3.79Å; F62-L136 HydrophobicContact CZ-CB 4.19Å; F62-L136 HydrophobicContact CZ-CD1 3.85Å
63R96.9Very high96.1Very high121 Ų12153.6 Ų53.646%0.45727%0.268SS..Hα-helixtrans-65.3-46.3177.7-168.6-167.363.167.81.9111.6I59 E60 N65 G66I59-R63 PolarHBondContact O-N 3.49Å; E60-R63 VanDerWaalsContact CD-NH2 3.32Å; E60-R63 WeakPolarHBondContact O-CB 3.35Å; E60-R63 PolarHBondContact O-N 3.23Å; E60-R63 VanDerWaalsContact O-N 3.14Å; E60-R63 IonicContact OE1-CZ 3.18Å; E60-R63 IonicContact OE1-NE 2.68Å; E60-R63 IonicContact OE1-NH2 2.76Å; E60-R63 PolarHBondContact OE1-NH2 2.84Å; E60-R63 IonicContact OE2-CZ 2.77Å; E60-R63 IonicContact OE2-NE 2.79Å; E60-R63 PolarHBondContact OE2-NE 3.32Å; E60-R63 IonicContact OE2-NH2 3.98Å; E60-R63 PolarHBondContact OE2-NH2 2.68Å; R63-N65 VanDerWaalsContact C-N 3.27Å; R63-N65 PolarHBondContact O-N 3.45Å; R63-G66 PolarHBondContact O-N 3.16Å
64E96.3Very high96Very high109 Ų10956.1 Ų56.151%0.50929%0.285SS..Hα-helixtrans-63.4-32.4176.9-72.4-171.3165.300112.6E60 T87 Q91E60-E64 PolarHBondContact O-N 2.89Å; E64-T87 HydrophobicContact CB-CG2 4.29Å; E64-T87 WeakPolarHBondContact OE2-CG2 3.34Å; E64-Q91 PolarHBondContact OE1-NE2 3.08Å; E64-Q91 PolarHBondContact OE2-NE2 3.13Å
65N96.9Very high96Very high26 Ų2659 Ų5914%0.13930%0.296CS..THydrogen-bonded Turntrans-90.93.6178.2-75.7-85.6000114.6A61 F62 R63 L67 R80 V84 T87A61-N65 WeakPolarHBondContact O-CB 3.26Å; A61-N65 PolarHBondContact O-N 3.18Å; A61-N65 PolarHBondContact O-ND2 3.34Å; F62-N65 PolarHBondContact O-N 3.19Å; R63-N65 VanDerWaalsContact C-N 3.27Å; R63-N65 PolarHBondContact O-N 3.45Å; N65-L67 VanDerWaalsContact C-N 3.3Å; N65-L67 HydrophobicContact CB-CD1 3.89Å; N65-L67 WeakPolarHBondContact O-CD1 3.47Å; N65-L67 PolarHBondContact O-N 3.07Å; N65-R80 PolarHBondContact O-NH2 2.76Å; N65-V84 HydrophobicContact CB-CG2 3.66Å; N65-T87 WeakPolarHBondContact ND2-CB 3.41Å; N65-T87 PolarHBondContact ND2-OG1 2.76Å
66G96.4Very high95.9Very high21 Ų2158.7 Ų58.722%0.21630%0.295CS..THydrogen-bonded Turntrans71.811.8179.500000115.8F62 R63 N68 T69 M70F62-G66 PolarHBondContact O-N 3.33Å; F62-G66 VanDerWaalsContact O-N 3.08Å; R63-G66 PolarHBondContact O-N 3.16Å; G66-N68 PolarHBondContact O-N 3.31Å; G66-T69 PolarHBondContact O-N 3.34Å; G66-T69 PolarHBondContact O-OG1 3.47Å; G66-M70 WeakPolarHBondContact O-CG 3.3Å; G66-M70 PolarHBondContact O-N 2.89Å
67L95.9Very high95.9Very high0 Ų053.7 Ų53.70%029%0.288CS..THydrogen-bonded Turntrans-71-9.5178.8-88.563.8000112.8F62 N65 M70 L76 V84 V129 V132 K133F62-L67 HydrophobicContact CB-CB 3.92Å; F62-L67 HydrophobicContact CD1-CB 4.33Å; F62-L67 HydrophobicContact CD1-CD2 3.78Å; F62-L67 HydrophobicContact CE1-CD2 4.16Å; F62-L67 HydrophobicContact CG-CB 4.28Å; F62-L67 PolarHBondContact O-N 3.41Å; N65-L67 VanDerWaalsContact C-N 3.3Å; N65-L67 HydrophobicContact CB-CD1 3.89Å; N65-L67 WeakPolarHBondContact O-CD1 3.47Å; N65-L67 PolarHBondContact O-N 3.07Å; L67-M70 HydrophobicContact CD1-SD 4.26Å; L67-L76 HydrophobicContact CD1-CD1 4.3Å; L67-L76 HydrophobicContact CD2-CD2 4.29Å; L67-V84 HydrophobicContact CD1-CG2 4.04Å; L67-V84 HydrophobicContact CD2-CG1 4.35Å; L67-V84 HydrophobicContact CD2-CG2 4.12Å; L67-V129 HydrophobicContact CB-CG1 4.42Å; L67-V129 HydrophobicContact CG-CG1 4.32Å; L67-V129 HydrophobicContact CG-CG2 4.41Å; L67-V132 HydrophobicContact CD2-CG1 4.27Å; L67-K133 WeakPolarHBondContact O-CE 3.48Å; L67-K133 PolarHBondContact O-NZ 3.12Å
68N93.1Very high95.8Very high92 Ų9255.1 Ų55.149%0.49230%0.297SS..THydrogen-bonded Turntrans-78.7-25.3174.168.2-56000113.5G66G66-N68 PolarHBondContact O-N 3.31Å
69T92.9Very high95.7Very high118 Ų11858.3 Ų58.372%0.72432%0.323SS*.THydrogen-bonded Turntrans-103.7-10.6179.754.90000114G66G66-T69 PolarHBondContact O-N 3.34Å; G66-T69 PolarHBondContact O-OG1 3.47Å
70M94.6Very high95.6Very high41 Ų4160.1 Ų60.120%0.20233%0.327CS..SBendtrans-74.4147.3175.4-71.8178.270.100112.6G66 L67 C74 L76 R80 V129G66-M70 WeakPolarHBondContact O-CG 3.3Å; G66-M70 PolarHBondContact O-N 2.89Å; L67-M70 HydrophobicContact CD1-SD 4.26Å; M70-C74 HydrophobicContact CE-CB 3.89Å; M70-C74 WeakPolarHBondContact CE-SG 3.46Å; M70-L76 HydrophobicContact CE-CD1 4.39Å; M70-R80 PolarHBondContact SD-NH1 2.87Å; M70-R80 PolarHBondContact SD-NH2 3.49Å; M70-V129 HydrophobicContact CB-CG2 4.26Å; M70-V129 HydrophobicContact CE-CG2 3.73Å; M70-V129 HydrophobicContact SD-CG2 4.16Å
71D93.9Very high95.7Very high96 Ų9657.6 Ų57.651%0.51332%0.315SS..  trans-58.5144.3167178.958000111.4N73 C74D71-N73 VanDerWaalsContact C-N 3.3Å; D71-N73 PolarHBondContact O-N 3.08Å; D71-N73 PolarHBondContact OD1-ND2 3.38Å; D71-N73 WeakPolarHBondContact OD2-CA 3.48Å; D71-N73 VanDerWaalsContact OD2-CB 3.24Å; D71-N73 WeakPolarHBondContact OD2-CB 3.36Å; D71-N73 PolarHBondContact OD2-N 3.24Å; D71-N73 PolarHBondContact OD2-ND2 3.24Å; D71-C74 HydrophobicContact CB-CB 4.48Å; D71-C74 VanDerWaalsContact O-CB 3.24Å; D71-C74 WeakPolarHBondContact O-CB 3.29Å; D71-C74 PolarHBondContact O-N 3.42Å
72L93.4Very high95.7Very high33 Ų3361.8 Ų61.817%0.17333%0.334CS..THydrogen-bonded Turntrans-67-29.6-175.7-67.9175.8000112.7C74 F130 K133L72-C74 VanDerWaalsContact C-N 3.33Å; L72-F130 HydrophobicContact CB-CB 4.13Å; L72-F130 HydrophobicContact CB-CD2 4.31Å; L72-F130 HydrophobicContact CD1-CD2 4.24Å; L72-F130 HydrophobicContact CD2-CD2 4.41Å; L72-F130 VanDerWaalsContact O-CB 3.26Å; L72-F130 WeakPolarHBondContact O-CB 3.49Å; L72-F130 PolarHBondContact O-N 3.43Å; L72-K133 HydrophobicContact CD2-CD 3.87Å
73N94.4Very high95.7Very high115 Ų11565.2 Ų65.262%0.61536%0.356SS*.THydrogen-bonded Turntrans-86-7.9-179.8-43.6-81.1000112.5D71 E75D71-N73 VanDerWaalsContact C-N 3.3Å; D71-N73 PolarHBondContact O-N 3.08Å; D71-N73 PolarHBondContact OD1-ND2 3.38Å; D71-N73 WeakPolarHBondContact OD2-CA 3.48Å; D71-N73 VanDerWaalsContact OD2-CB 3.24Å; D71-N73 WeakPolarHBondContact OD2-CB 3.36Å; D71-N73 PolarHBondContact OD2-N 3.24Å; D71-N73 PolarHBondContact OD2-ND2 3.24Å; N73-E75 PolarHBondContact O-N 2.94Å
74C96.3Very high95.7Very high53 Ų5359.5 Ų59.536%0.35833%0.334SS..  trans-62.8132.9-179.6-168.20000111.1M70 D71 L72 S128 V129M70-C74 HydrophobicContact CE-CB 3.89Å; M70-C74 WeakPolarHBondContact CE-SG 3.46Å; D71-C74 HydrophobicContact CB-CB 4.48Å; D71-C74 VanDerWaalsContact O-CB 3.24Å; D71-C74 WeakPolarHBondContact O-CB 3.29Å; D71-C74 PolarHBondContact O-N 3.42Å; L72-C74 VanDerWaalsContact C-N 3.33Å; C74-S128 CarbonylContact O-C 3.59Å; C74-S128 WeakPolarHBondContact O-CA 3.01Å; C74-V129 HydrophobicContact CB-CG2 4.39Å; C74-V129 PolarHBondContact O-N 3.07Å
75E95.8Very high95.8Very high114 Ų11454.3 Ų54.353%0.53331%0.31SS..EExtended strand (participates in β ladder)trans-80.6132-178.7-60.6178.4117.200111.9N73 K126N73-E75 PolarHBondContact O-N 2.94Å; E75-K126 HydrophobicContact CB-CB 4.38Å; E75-K126 HydrophobicContact CB-CD 3.99Å; E75-K126 HydrophobicContact CG-CD 4.22Å; E75-K126 WeakPolarHBondContact OE1-CD 3.46Å; E75-K126 IonicContact OE1-NZ 3.43Å; E75-K126 PolarHBondContact OE1-NZ 2.92Å; E75-K126 WeakPolarHBondContact OE2-CD 3.46Å; E75-K126 IonicContact OE2-NZ 2.66Å; E75-K126 PolarHBondContact OE2-NZ 3.44Å
76L95.8Very high95.9Very high2 Ų254.5 Ų54.51%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-104.9121.9175.2-15277.5000109.2L67 M70 R80 L81 K126 I127 V129 V132L67-L76 HydrophobicContact CD1-CD1 4.3Å; L67-L76 HydrophobicContact CD2-CD2 4.29Å; M70-L76 HydrophobicContact CE-CD1 4.39Å; L76-R80 HydrophobicContact CD1-CB 4.35Å; L76-R80 HydrophobicContact CD1-CG 3.86Å; L76-R80 HydrophobicContact CG-CB 4.15Å; L76-R80 HydrophobicContact CG-CG 4.13Å; L76-L81 HydrophobicContact CD2-CB 4.1Å; L76-K126 WeakPolarHBondContact O-CA 3.45Å; L76-I127 WeakPolarHBondContact CA-O 3.11Å; L76-I127 WeakPolarHBondContact CB-O 3.11Å; L76-I127 PolarHBondContact N-O 3.03Å; L76-I127 PolarHBondContact O-N 2.92Å; L76-V129 HydrophobicContact CD1-CG2 4.43Å; L76-V132 HydrophobicContact CD2-CG2 4.18Å
77A96.3Very high95.9Very high56 Ų5654.8 Ų54.846%0.46331%0.311SS..EExtended strand (participates in β ladder)trans-70.3150.1174.300000111.6A79 R80 L81 G125A77-A79 VanDerWaalsContact C-N 3.33Å; A77-A79 PolarHBondContact O-N 2.91Å; A77-R80 PolarHBondContact O-N 3.14Å; A77-L81 PolarHBondContact O-N 3.16Å; A77-L81 VanDerWaalsContact O-N 3.12Å; A77-G125 WeakPolarHBondContact CA-O 3.37Å
78V95.2Very high96Very high41 Ų4155 Ų5525%0.24831%0.312CS..Hα-helixtrans-48.4-49.2-175.9-171.30000113.1R80 L81 E82 L112 L116 G125V78-R80 PolarHBondContact O-N 2.97Å; V78-L81 WeakPolarHBondContact O-CA 3.47Å; V78-L81 WeakPolarHBondContact O-CB 3.3Å; V78-L81 PolarHBondContact O-N 2.84Å; V78-E82 PolarHBondContact O-N 3.5Å; V78-L112 HydrophobicContact CG1-CD1 4.03Å; V78-L112 HydrophobicContact CG1-CD2 4.17Å; V78-L112 HydrophobicContact CG1-CG 4.38Å; V78-L116 HydrophobicContact CG1-CD1 3.94Å; V78-L116 HydrophobicContact CG1-CD2 4.18Å; V78-L116 HydrophobicContact CG2-CD2 3.91Å; V78-G125 WeakPolarHBondContact CG2-O 3.39Å; V78-G125 PolarHBondContact N-O 3.4Å; V78-G125 VanDerWaalsContact N-O 3.16Å
79A95.9Very high96.2Very high67 Ų6750.6 Ų50.655%0.55429%0.288SS*.Hα-helixtrans-61-28-179.500000113.4A77 V83A77-A79 VanDerWaalsContact C-N 3.33Å; A77-A79 PolarHBondContact O-N 2.91Å; A79-V83 WeakPolarHBondContact O-CG2 3.42Å; A79-V83 PolarHBondContact O-N 2.89Å
80R96.4Very high96.4Very high95 Ų9550.5 Ų50.536%0.35828%0.278SS..Hα-helixtrans-82.4-29.1174.3-172.8171.8174.8-146.3-4.6112.3N65 M70 L76 A77 V78 V84N65-R80 PolarHBondContact O-NH2 2.76Å; M70-R80 PolarHBondContact SD-NH1 2.87Å; M70-R80 PolarHBondContact SD-NH2 3.49Å; L76-R80 HydrophobicContact CD1-CB 4.35Å; L76-R80 HydrophobicContact CD1-CG 3.86Å; L76-R80 HydrophobicContact CG-CB 4.15Å; L76-R80 HydrophobicContact CG-CG 4.13Å; A77-R80 PolarHBondContact O-N 3.14Å; V78-R80 PolarHBondContact O-N 2.97Å; R80-V84 VanDerWaalsContact O-CG2 3.23Å; R80-V84 WeakPolarHBondContact O-CG2 3.3Å; R80-V84 PolarHBondContact O-N 3.29Å
81L97.2Very high96.4Very high3 Ų349.2 Ų49.22%0.01627%0.272CS..Hα-helixtrans-63.4-45.9167.5177.256.5000110.4L76 A77 V78 V83 V84 L85 L112 L115 I127 V132L76-L81 HydrophobicContact CD2-CB 4.1Å; A77-L81 PolarHBondContact O-N 3.16Å; A77-L81 VanDerWaalsContact O-N 3.12Å; V78-L81 WeakPolarHBondContact O-CA 3.47Å; V78-L81 WeakPolarHBondContact O-CB 3.3Å; V78-L81 PolarHBondContact O-N 2.84Å; L81-V83 VanDerWaalsContact C-N 3.33Å; L81-V83 PolarHBondContact O-N 3.23Å; L81-V84 WeakPolarHBondContact O-CB 3.22Å; L81-V84 PolarHBondContact O-N 2.84Å; L81-L85 HydrophobicContact CD1-CD2 4.31Å; L81-L85 HydrophobicContact CD1-CG 4.18Å; L81-L85 HydrophobicContact CG-CD1 4.38Å; L81-L85 HydrophobicContact CG-CG 4.42Å; L81-L85 WeakPolarHBondContact O-CG 3.35Å; L81-L85 PolarHBondContact O-N 2.9Å; L81-L112 HydrophobicContact CB-CD1 4.26Å; L81-L112 HydrophobicContact CD2-CD1 3.75Å; L81-L112 HydrophobicContact CG-CD1 3.79Å; L81-L115 HydrophobicContact CD1-CD1 4.45Å; L81-L115 HydrophobicContact CD2-CD1 4.35Å; L81-I127 HydrophobicContact CD2-CD1 3.94Å; L81-V132 HydrophobicContact CD1-CB 4.44Å; L81-V132 HydrophobicContact CD1-CG1 3.67Å; L81-V132 HydrophobicContact CD1-CG2 3.86Å
82E97.3Very high96.4Very high90 Ų9045 Ų4542%0.42125%0.249SC..Hα-helixtrans-56.3-42.3176.8-172.3178.1174.300112.7V78 L85 S86 V108 L112V78-E82 PolarHBondContact O-N 3.5Å; E82-L85 PolarHBondContact O-N 3.48Å; E82-S86 WeakPolarHBondContact O-CB 3.45Å; E82-S86 PolarHBondContact O-N 2.77Å; E82-S86 PolarHBondContact O-OG 2.57Å; E82-V108 HydrophobicContact CG-CG1 3.9Å; E82-L112 HydrophobicContact CB-CD2 3.96Å; E82-L112 HydrophobicContact CG-CD2 4Å
83V97.8Very high96.5Very high77 Ų7744.6 Ų44.647%0.46725%0.247SC..Hα-helixtrans-62.3-43.9172.51730000111.8A79 L81 L85 S86 T87A79-V83 WeakPolarHBondContact O-CG2 3.42Å; A79-V83 PolarHBondContact O-N 2.89Å; L81-V83 VanDerWaalsContact C-N 3.33Å; L81-V83 PolarHBondContact O-N 3.23Å; V83-L85 PolarHBondContact O-N 3.16Å; V83-S86 WeakPolarHBondContact O-CB 3.46Å; V83-S86 PolarHBondContact O-N 2.97Å; V83-T87 PolarHBondContact O-N 3.41Å; V83-T87 PolarHBondContact O-OG1 2.92Å; V83-T87 VanDerWaalsContact O-OG1 3.12Å
84V98.1Very high96.4Very high1 Ų147.7 Ų47.71%0.00626%0.255CS..Hα-helixtrans-61.8-42.5177.5174.50000111.5F62 N65 L67 R80 L81 T87 L88F62-V84 HydrophobicContact CD1-CG1 3.88Å; F62-V84 HydrophobicContact CE1-CG1 3.98Å; N65-V84 HydrophobicContact CB-CG2 3.66Å; L67-V84 HydrophobicContact CD1-CG2 4.04Å; L67-V84 HydrophobicContact CD2-CG1 4.35Å; L67-V84 HydrophobicContact CD2-CG2 4.12Å; R80-V84 VanDerWaalsContact O-CG2 3.23Å; R80-V84 WeakPolarHBondContact O-CG2 3.3Å; R80-V84 PolarHBondContact O-N 3.29Å; L81-V84 WeakPolarHBondContact O-CB 3.22Å; L81-V84 PolarHBondContact O-N 2.84Å; V84-T87 PolarHBondContact O-N 3.35Å; V84-L88 PolarHBondContact O-N 2.79Å; V84-L88 VanDerWaalsContact O-N 3.16Å
85L98.3Very high96.1Very high0 Ų052.3 Ų52.30%027%0.265CS..Hα-helixtrans-66.8-37.2175.4-61.4-175.1000111.8L81 E82 V83 L88 F89 V108 L111 L112 L115 L136L81-L85 HydrophobicContact CD1-CD2 4.31Å; L81-L85 HydrophobicContact CD1-CG 4.18Å; L81-L85 HydrophobicContact CG-CD1 4.38Å; L81-L85 HydrophobicContact CG-CG 4.42Å; L81-L85 WeakPolarHBondContact O-CG 3.35Å; L81-L85 PolarHBondContact O-N 2.9Å; E82-L85 PolarHBondContact O-N 3.48Å; V83-L85 PolarHBondContact O-N 3.16Å; L85-L88 WeakPolarHBondContact O-CB 3.39Å; L85-L88 PolarHBondContact O-N 2.81Å; L85-F89 VanDerWaalsContact O-CD2 3.3Å; L85-F89 WeakPolarHBondContact O-CD2 3.36Å; L85-F89 PolarHBondContact O-N 3.28Å; L85-V108 HydrophobicContact CB-CG1 4.17Å; L85-V108 HydrophobicContact CB-CG2 4.28Å; L85-L111 HydrophobicContact CD1-CB 4.25Å; L85-L111 HydrophobicContact CD1-CD2 4.23Å; L85-L111 HydrophobicContact CD1-CG 3.95Å; L85-L111 HydrophobicContact CD2-CD2 3.71Å; L85-L111 HydrophobicContact CD2-CG 4.18Å; L85-L111 HydrophobicContact CG-CD2 4.47Å; L85-L112 HydrophobicContact CD1-CB 3.95Å; L85-L112 HydrophobicContact CD1-CD1 4.17Å; L85-L115 HydrophobicContact CD1-CD1 4.3Å; L85-L115 HydrophobicContact CD2-CD1 4.34Å; L85-L136 HydrophobicContact CD2-CD1 3.88Å; L85-L136 HydrophobicContact CD2-CD2 4.06Å
86S98Very high95.8Very high30 Ų3049.1 Ų49.121%0.2125%0.251CS..Hα-helixtrans-63-47.3175-60.70000111.1E82 V83 L88 F89 F90E82-S86 WeakPolarHBondContact O-CB 3.45Å; E82-S86 PolarHBondContact O-N 2.77Å; E82-S86 PolarHBondContact O-OG 2.57Å; V83-S86 WeakPolarHBondContact O-CB 3.46Å; V83-S86 PolarHBondContact O-N 2.97Å; S86-L88 VanDerWaalsContact C-N 3.29Å; S86-L88 PolarHBondContact O-N 2.89Å; S86-F89 PolarHBondContact O-N 3.15Å; S86-F90 WeakPolarHBondContact O-CB 3.42Å; S86-F90 WeakPolarHBondContact O-CD2 3.48Å; S86-F90 PolarHBondContact O-N 2.68Å
87T97.8Very high95.5Very high26 Ų2652.6 Ų52.616%0.1627%0.273CS..Hα-helixtrans-52.6-48.2173.4-58.70000111.2A61 E64 N65 V83 V84 F89 F90 Q91A61-T87 HydrophobicContact CB-CG2 4.13Å; E64-T87 HydrophobicContact CB-CG2 4.29Å; E64-T87 WeakPolarHBondContact OE2-CG2 3.34Å; N65-T87 WeakPolarHBondContact ND2-CB 3.41Å; N65-T87 PolarHBondContact ND2-OG1 2.76Å; V83-T87 PolarHBondContact O-N 3.41Å; V83-T87 PolarHBondContact O-OG1 2.92Å; V83-T87 VanDerWaalsContact O-OG1 3.12Å; V84-T87 PolarHBondContact O-N 3.35Å; T87-F89 PolarHBondContact O-N 3.5Å; T87-F90 PolarHBondContact O-N 3.08Å; T87-Q91 HydrophobicContact CG2-CG 4.35Å; T87-Q91 WeakPolarHBondContact O-CB 3.38Å; T87-Q91 WeakPolarHBondContact O-CG 3.32Å; T87-Q91 PolarHBondContact O-N 3.42Å
88L98Very high95Very high4 Ų455.6 Ų55.62%0.02129%0.286CS..Hα-helixtrans-56.7-49.6-178.4-170.669000112.5L50 V53 N57 V58 A61 V84 L85 S86 L92L50-L88 HydrophobicContact CD2-CD2 3.98Å; V53-L88 HydrophobicContact CG1-CD1 3.69Å; V53-L88 HydrophobicContact CG1-CD2 4.08Å; V53-L88 HydrophobicContact CG1-CG 3.95Å; N57-L88 HydrophobicContact CB-CD1 4.09Å; N57-L88 WeakPolarHBondContact O-CD1 3.16Å; V58-L88 HydrophobicContact CG2-CD1 4.07Å; A61-L88 HydrophobicContact CB-CB 4.03Å; A61-L88 HydrophobicContact CB-CD1 3.73Å; V84-L88 PolarHBondContact O-N 2.79Å; V84-L88 VanDerWaalsContact O-N 3.16Å; L85-L88 WeakPolarHBondContact O-CB 3.39Å; L85-L88 PolarHBondContact O-N 2.81Å; S86-L88 VanDerWaalsContact C-N 3.29Å; S86-L88 PolarHBondContact O-N 2.89Å; L88-L92 PolarHBondContact O-N 3.44Å; L88-L92 VanDerWaalsContact O-N 3.07Å
89F97.9Very high94.6Very high0 Ų059 Ų590%031%0.307CS..Hα-helixtrans-80.8-31.1-177.4-67.7-57.1000113.7C48 N49 L50 V53 L85 S86 T87 L92 N93 I102 V104 V108 L111C48-F89 WeakPolarHBondContact O-CE1 3.34Å; C48-F89 WeakPolarHBondContact O-CZ 3.45Å; N49-F89 HydrophobicContact CB-CE1 4.29Å; L50-F89 HydrophobicContact CD2-CE1 4.15Å; L50-F89 HydrophobicContact CD2-CZ 3.88Å; L50-F89 HydrophobicContact CG-CZ 4.23Å; V53-F89 HydrophobicContact CG2-CD1 4.32Å; V53-F89 HydrophobicContact CG2-CE1 4.01Å; L85-F89 VanDerWaalsContact O-CD2 3.3Å; L85-F89 WeakPolarHBondContact O-CD2 3.36Å; L85-F89 PolarHBondContact O-N 3.28Å; S86-F89 PolarHBondContact O-N 3.15Å; T87-F89 PolarHBondContact O-N 3.5Å; F89-L92 HydrophobicContact CD1-CD2 4.32Å; F89-L92 PolarHBondContact O-N 2.92Å; F89-N93 PolarHBondContact O-N 3.43Å; F89-I102 HydrophobicContact CB-CD1 4.19Å; F89-I102 HydrophobicContact CD1-CD1 3.54Å; F89-I102 HydrophobicContact CE1-CD1 4.22Å; F89-I102 HydrophobicContact CG-CD1 4.1Å; F89-V104 HydrophobicContact CB-CB 4.45Å; F89-V104 HydrophobicContact CB-CG1 3.91Å; F89-V104 HydrophobicContact CB-CG2 4.26Å; F89-V108 HydrophobicContact CD2-CG2 3.8Å; F89-V108 HydrophobicContact CE2-CG2 4.5Å; F89-L111 HydrophobicContact CE2-CB 4.49Å; F89-L111 HydrophobicContact CE2-CD2 3.77Å; F89-L111 HydrophobicContact CZ-CD2 3.8Å
90F96.5Very high94.3Very high117 Ų11761.4 Ų61.451%0.51331%0.307SS..Hα-helixtrans-66.5-37169.1-78.3-59000111.9S86 T87 K94 V104S86-F90 WeakPolarHBondContact O-CB 3.42Å; S86-F90 WeakPolarHBondContact O-CD2 3.48Å; S86-F90 PolarHBondContact O-N 2.68Å; T87-F90 PolarHBondContact O-N 3.08Å; F90-K94 WeakPolarHBondContact O-CG 3.48Å; F90-K94 PolarHBondContact O-N 2.7Å; F90-V104 HydrophobicContact CD1-CB 4.47Å; F90-V104 HydrophobicContact CD1-CG1 4.09Å; F90-V104 HydrophobicContact CD1-CG2 4.01Å; F90-V104 HydrophobicContact CD2-CG1 4.01Å; F90-V104 HydrophobicContact CE1-CB 4.19Å; F90-V104 HydrophobicContact CE1-CG1 3.93Å; F90-V104 HydrophobicContact CE1-CG2 4.11Å; F90-V104 HydrophobicContact CE2-CG1 3.83Å; F90-V104 HydrophobicContact CG-CG1 4.12Å; F90-V104 HydrophobicContact CZ-CB 4.39Å; F90-V104 HydrophobicContact CZ-CG1 3.79Å
91Q94.5Very high94Very high14 Ų1462 Ų627%0.06531%0.313CS..Hα-helixtrans-64-40170.6-78.4-169.425.900112E64 T87 K94 R95E64-Q91 PolarHBondContact OE1-NE2 3.08Å; E64-Q91 PolarHBondContact OE2-NE2 3.13Å; T87-Q91 HydrophobicContact CG2-CG 4.35Å; T87-Q91 WeakPolarHBondContact O-CB 3.38Å; T87-Q91 WeakPolarHBondContact O-CG 3.32Å; T87-Q91 PolarHBondContact O-N 3.42Å; Q91-K94 PolarHBondContact O-N 3.2Å; Q91-R95 WeakPolarHBondContact O-CG 3.39Å
92L93.9Very high93.9Very high7 Ų763 Ų634%0.03732%0.318CS..Hα-helixtrans-60.9-52.3175.9-178.268.7000111L52 V53 L88 F89 K94 R95 M96 I102L52-L92 HydrophobicContact CB-CD1 4.27Å; L52-L92 HydrophobicContact CB-CD2 3.93Å; L52-L92 HydrophobicContact CD1-CD2 4.39Å; L52-L92 WeakPolarHBondContact O-CD1 3.41Å; V53-L92 HydrophobicContact CG2-CD2 3.93Å; L88-L92 PolarHBondContact O-N 3.44Å; L88-L92 VanDerWaalsContact O-N 3.07Å; F89-L92 HydrophobicContact CD1-CD2 4.32Å; F89-L92 PolarHBondContact O-N 2.92Å; L92-K94 PolarHBondContact O-N 3.42Å; L92-R95 WeakPolarHBondContact O-CA 3.32Å; L92-R95 PolarHBondContact O-N 3.32Å; L92-M96 HydrophobicContact CD1-CG 4.15Å; L92-M96 HydrophobicContact CD1-SD 4.26Å; L92-M96 HydrophobicContact CG-CG 4Å; L92-M96 WeakPolarHBondContact O-CG 3.44Å; L92-M96 PolarHBondContact O-N 3.28Å; L92-I102 HydrophobicContact CD2-CD1 3.84Å; L92-I102 HydrophobicContact CD2-CG1 4.37Å
93N95Very high93.7Very high24 Ų2462.8 Ų62.813%0.12832%0.32CS..Hα-helixtrans-62.2-24.9-179.4-93.95.6000114F89 R95 Q101 I102 V104F89-N93 PolarHBondContact O-N 3.43Å; N93-R95 VanDerWaalsContact C-N 3.26Å; N93-R95 PolarHBondContact O-N 3.34Å; N93-Q101 WeakPolarHBondContact OD1-CA 3.41Å; N93-I102 PolarHBondContact ND2-O 2.73Å; N93-I102 WeakPolarHBondContact OD1-CG1 3.41Å; N93-I102 PolarHBondContact OD1-N 2.8Å; N93-V104 WeakPolarHBondContact ND2-CG2 3.47Å
94K93Very high93.6Very high180 Ų18059.8 Ų59.878%0.78330%0.302SS*.THydrogen-bonded Turntrans-69.9-19.2170.8-74.6173.6-179.11790113.8F90 Q91 L92F90-K94 WeakPolarHBondContact O-CG 3.48Å; F90-K94 PolarHBondContact O-N 2.7Å; Q91-K94 PolarHBondContact O-N 3.2Å; L92-K94 PolarHBondContact O-N 3.42Å
95R90.3Very high93.5Very high150 Ų15067.6 Ų67.657%0.56634%0.338SS*.THydrogen-bonded Turntrans-105.8-19.7-178.9-58.4178.6-162.8-169.16.3112.9N57 Q91 L92 N93N57-R95 PolarHBondContact ND2-NH1 3.18Å; Q91-R95 WeakPolarHBondContact O-CG 3.39Å; L92-R95 WeakPolarHBondContact O-CA 3.32Å; L92-R95 PolarHBondContact O-N 3.32Å; N93-R95 VanDerWaalsContact C-N 3.26Å; N93-R95 PolarHBondContact O-N 3.34Å
96M88.6Confident93.3Very high48 Ų4872.1 Ų72.124%0.23636%0.359CS..SBendtrans-78.9145.7177.3-66.7-64.7-72.600111.9L52 L92 H100L52-M96 HydrophobicContact CD1-CE 4.23Å; L92-M96 HydrophobicContact CD1-CG 4.15Å; L92-M96 HydrophobicContact CD1-SD 4.26Å; L92-M96 HydrophobicContact CG-CG 4Å; L92-M96 WeakPolarHBondContact O-CG 3.44Å; L92-M96 PolarHBondContact O-N 3.28Å; M96-H100 HydrophobicContact CE-CB 3.73Å; M96-H100 WeakPolarHBondContact CE-O 3.43Å
97P90.1Very high93.2Very high74 Ų7470.7 Ų70.748%0.48135%0.35SS..  trans-57.5150.3167.2-22.733.6000111.7T99 H100 Q101P97-T99 PolarHBondContact O-N 3.36Å; P97-T99 VanDerWaalsContact O-N 3.13Å; P97-H100 CarbonylContact O-C 3.09Å; P97-H100 PolarHBondContact O-N 3.43Å; P97-Q101 PolarHBondContact O-N 3.28Å
98T86.1Confident93.1Very high120 Ų12069.8 Ų69.874%0.73634%0.344SS*.G310 helixtrans-58.5-27.1179.647.90000113.6H100T98-H100 VanDerWaalsContact C-N 3.26Å; T98-H100 PolarHBondContact O-N 3.29Å
99T85.8Confident93Very high112 Ų11270.9 Ų70.969%0.68736%0.356SS*.G310 helixtrans-73.7-10.7174.354.40000114.5P97P97-T99 PolarHBondContact O-N 3.36Å; P97-T99 VanDerWaalsContact O-N 3.13Å
100H89.3Confident92.9Very high118 Ų11871.6 Ų71.655%0.54636%0.36SS..G310 helixtrans-132.324-174-59.6-61.1000112.9M96 P97 T98M96-H100 HydrophobicContact CE-CB 3.73Å; M96-H100 WeakPolarHBondContact CE-O 3.43Å; P97-H100 CarbonylContact O-C 3.09Å; P97-H100 PolarHBondContact O-N 3.43Å; T98-H100 VanDerWaalsContact C-N 3.26Å; T98-H100 PolarHBondContact O-N 3.29Å
101Q90.6Very high92.9Very high108 Ų10866 Ų6651%0.50534%0.335SS..  trans-69.6138.2172.8-71.8-178.5-8.600111N93 P97N93-Q101 WeakPolarHBondContact OD1-CA 3.41Å; P97-Q101 PolarHBondContact O-N 3.28Å
102I94.3Very high93Very high22 Ų2266 Ų6611%0.11334%0.336CS..  trans-91.2156176.957.3157.4000111.2N49 L52 F89 L92 N93 V104N49-I102 HydrophobicContact CB-CD1 3.86Å; N49-I102 HydrophobicContact CB-CG2 4.18Å; L52-I102 HydrophobicContact CD1-CG2 4.02Å; F89-I102 HydrophobicContact CB-CD1 4.19Å; F89-I102 HydrophobicContact CD1-CD1 3.54Å; F89-I102 HydrophobicContact CE1-CD1 4.22Å; F89-I102 HydrophobicContact CG-CD1 4.1Å; L92-I102 HydrophobicContact CD2-CD1 3.84Å; L92-I102 HydrophobicContact CD2-CG1 4.37Å; N93-I102 PolarHBondContact ND2-O 2.73Å; N93-I102 WeakPolarHBondContact OD1-CG1 3.41Å; N93-I102 PolarHBondContact OD1-N 2.8Å; I102-V104 PolarHBondContact O-N 3.33Å; I102-V104 VanDerWaalsContact O-N 3.16Å
103N95Very high93.1Very high87 Ų8767.1 Ų67.147%0.46534%0.342SS..  trans-70108.1164-176.5-21.5000108.8E105 Q106 S107N103-E105 PolarHBondContact OD1-N 3.3Å; N103-Q106 HydrophobicContact CB-CB 4.02Å; N103-Q106 PolarHBondContact OD1-N 2.84Å; N103-Q106 VanDerWaalsContact OD1-N 3.07Å; N103-S107 WeakPolarHBondContact O-CB 3.17Å; N103-S107 PolarHBondContact O-N 2.94Å; N103-S107 VanDerWaalsContact O-N 3.13Å; N103-S107 PolarHBondContact O-OG 3.31Å
104V95.4Very high93.2Very high14 Ų1466 Ų669%0.08534%0.336CS..Hα-helixtrans-64.9-51.3-178.2172.50000111F89 F90 N93 I102 Q106 S107 V108F89-V104 HydrophobicContact CB-CB 4.45Å; F89-V104 HydrophobicContact CB-CG1 3.91Å; F89-V104 HydrophobicContact CB-CG2 4.26Å; F90-V104 HydrophobicContact CD1-CB 4.47Å; F90-V104 HydrophobicContact CD1-CG1 4.09Å; F90-V104 HydrophobicContact CD1-CG2 4.01Å; F90-V104 HydrophobicContact CD2-CG1 4.01Å; F90-V104 HydrophobicContact CE1-CB 4.19Å; F90-V104 HydrophobicContact CE1-CG1 3.93Å; F90-V104 HydrophobicContact CE1-CG2 4.11Å; F90-V104 HydrophobicContact CE2-CG1 3.83Å; F90-V104 HydrophobicContact CG-CG1 4.12Å; F90-V104 HydrophobicContact CZ-CB 4.39Å; F90-V104 HydrophobicContact CZ-CG1 3.79Å; N93-V104 WeakPolarHBondContact ND2-CG2 3.47Å; I102-V104 PolarHBondContact O-N 3.33Å; I102-V104 VanDerWaalsContact O-N 3.16Å; V104-Q106 PolarHBondContact O-N 3.42Å; V104-S107 PolarHBondContact O-N 3.16Å; V104-S107 VanDerWaalsContact O-N 3.08Å; V104-V108 HydrophobicContact CG1-CG2 4.21Å; V104-V108 WeakPolarHBondContact O-CG2 3.31Å; V104-V108 PolarHBondContact O-N 3.19Å
105E94.8Very high93.3Very high165 Ų16557.6 Ų57.677%0.77130%0.3SS*.Hα-helixtrans-59-47.1-176.2-175.4174.3-165.500111.5N103 S107 V108 G109N103-E105 PolarHBondContact OD1-N 3.3Å; E105-S107 VanDerWaalsContact C-N 3.34Å; E105-S107 PolarHBondContact O-N 3.07Å; E105-V108 PolarHBondContact O-N 3.31Å; E105-G109 PolarHBondContact O-N 3.46Å
106Q93.9Very high93.6Very high94 Ų9451.1 Ų51.144%0.43928%0.276SS..Hα-helixtrans-63.1-38.8175-171.3178.427.800112.5N103 V104 G109 L110N103-Q106 HydrophobicContact CB-CB 4.02Å; N103-Q106 PolarHBondContact OD1-N 2.84Å; N103-Q106 VanDerWaalsContact OD1-N 3.07Å; V104-Q106 PolarHBondContact O-N 3.42Å; Q106-G109 PolarHBondContact O-N 3.03Å; Q106-L110 HydrophobicContact CG-CD1 4.03Å; Q106-L110 HydrophobicContact CG-CG 4.43Å; Q106-L110 WeakPolarHBondContact O-CB 3.41Å; Q106-L110 VanDerWaalsContact O-CG 3.3Å; Q106-L110 WeakPolarHBondContact O-CG 3.42Å; Q106-L110 PolarHBondContact O-N 2.87Å
107S95.8Very high93.9Very high1 Ų151 Ų511%0.00728%0.283CS..Hα-helixtrans-69.9-37.9179.2-56.50000112.1N49 N103 V104 E105 L111N49-S107 PolarHBondContact ND2-OG 3.38Å; N103-S107 WeakPolarHBondContact O-CB 3.17Å; N103-S107 PolarHBondContact O-N 2.94Å; N103-S107 VanDerWaalsContact O-N 3.13Å; N103-S107 PolarHBondContact O-OG 3.31Å; V104-S107 PolarHBondContact O-N 3.16Å; V104-S107 VanDerWaalsContact O-N 3.08Å; E105-S107 VanDerWaalsContact C-N 3.34Å; E105-S107 PolarHBondContact O-N 3.07Å; S107-L111 WeakPolarHBondContact O-CB 3.43Å; S107-L111 PolarHBondContact O-N 3.33Å
108V97.1Very high94.1Very high6 Ų648 Ų484%0.03626%0.264CS..Hα-helixtrans-62.5-52171.2172.60000109.9E82 L85 F89 V104 E105 L111 L112E82-V108 HydrophobicContact CG-CG1 3.9Å; L85-V108 HydrophobicContact CB-CG1 4.17Å; L85-V108 HydrophobicContact CB-CG2 4.28Å; F89-V108 HydrophobicContact CD2-CG2 3.8Å; F89-V108 HydrophobicContact CE2-CG2 4.5Å; V104-V108 HydrophobicContact CG1-CG2 4.21Å; V104-V108 WeakPolarHBondContact O-CG2 3.31Å; V104-V108 PolarHBondContact O-N 3.19Å; E105-V108 PolarHBondContact O-N 3.31Å; V108-L111 PolarHBondContact O-N 3.03Å; V108-L112 WeakPolarHBondContact O-CB 3.38Å; V108-L112 PolarHBondContact O-N 3.38Å
109G95.5Very high94.7Very high27 Ų2743.5 Ų43.528%0.27823%0.234SC..Hα-helixtrans-59.3-49.5-178.200000113.3E105 Q106 L111 L112 N113E105-G109 PolarHBondContact O-N 3.46Å; Q106-G109 PolarHBondContact O-N 3.03Å; G109-L111 VanDerWaalsContact C-N 3.35Å; G109-L111 PolarHBondContact O-N 2.67Å; G109-L112 PolarHBondContact O-N 3.1Å; G109-N113 VanDerWaalsContact O-CB 3.26Å; G109-N113 WeakPolarHBondContact O-CB 3.19Å; G109-N113 PolarHBondContact O-N 3.17Å; G109-N113 PolarHBondContact O-ND2 3.43Å; G109-N113 VanDerWaalsContact O-ND2 3.12Å
110L95.9Very high95.1Very high15 Ų1538.9 Ų38.98%0.07921%0.205CC..Hα-helixtrans-60.9-42.3177.6-71.2172.1000112.1L18 Q106 F114L18-L110 HydrophobicContact CB-CD2 4.29Å; Q106-L110 HydrophobicContact CG-CD1 4.03Å; Q106-L110 HydrophobicContact CG-CG 4.43Å; Q106-L110 WeakPolarHBondContact O-CB 3.41Å; Q106-L110 VanDerWaalsContact O-CG 3.3Å; Q106-L110 WeakPolarHBondContact O-CG 3.42Å; Q106-L110 PolarHBondContact O-N 2.87Å; L110-F114 WeakPolarHBondContact O-CB 3.32Å; L110-F114 PolarHBondContact O-N 3.29Å; L110-F114 VanDerWaalsContact O-N 3.1Å
111L97.1Very high95Very high0 Ų038.2 Ų38.20%021%0.211CC..Hα-helixtrans-72.3-42.9-179.8-17953.2000112.6C48 L50 L85 F89 S107 V108 G109 N113 F114 L115 L136 I139C48-L111 HydrophobicContact CB-CB 4.14Å; C48-L111 HydrophobicContact CB-CD1 4.48Å; L50-L111 HydrophobicContact CD1-CD1 3.59Å; L50-L111 HydrophobicContact CD1-CD2 3.76Å; L50-L111 HydrophobicContact CD1-CG 4.34Å; L50-L111 HydrophobicContact CD2-CD2 3.85Å; L50-L111 HydrophobicContact CG-CD1 4.5Å; L50-L111 HydrophobicContact CG-CD2 3.93Å; L85-L111 HydrophobicContact CD1-CB 4.25Å; L85-L111 HydrophobicContact CD1-CD2 4.23Å; L85-L111 HydrophobicContact CD1-CG 3.95Å; L85-L111 HydrophobicContact CD2-CD2 3.71Å; L85-L111 HydrophobicContact CD2-CG 4.18Å; L85-L111 HydrophobicContact CG-CD2 4.47Å; F89-L111 HydrophobicContact CE2-CB 4.49Å; F89-L111 HydrophobicContact CE2-CD2 3.77Å; F89-L111 HydrophobicContact CZ-CD2 3.8Å; S107-L111 WeakPolarHBondContact O-CB 3.43Å; S107-L111 PolarHBondContact O-N 3.33Å; V108-L111 PolarHBondContact O-N 3.03Å; G109-L111 VanDerWaalsContact C-N 3.35Å; G109-L111 PolarHBondContact O-N 2.67Å; L111-N113 VanDerWaalsContact C-N 3.33Å; L111-N113 PolarHBondContact O-N 3.3Å; L111-F114 PolarHBondContact O-N 3.37Å; L111-L115 HydrophobicContact CD1-CD1 4.13Å; L111-L115 HydrophobicContact CD1-CG 4.09Å; L111-L115 HydrophobicContact CG-CD1 4.16Å; L111-L115 WeakPolarHBondContact O-CG 3.39Å; L111-L115 PolarHBondContact O-N 2.98Å; L111-L136 HydrophobicContact CD1-CD2 4.33Å; L111-L136 HydrophobicContact CD2-CD2 3.95Å; L111-L136 HydrophobicContact CG-CD2 4.49Å; L111-I139 HydrophobicContact CD1-CD1 3.9Å
112L96Very high95Very high13 Ų1340.7 Ų40.77%0.06822%0.223CC..Hα-helixtrans-60-46.3176.4-174.563.9000110.4V78 L81 E82 L85 V108 G109 F114 L115 L116V78-L112 HydrophobicContact CG1-CD1 4.03Å; V78-L112 HydrophobicContact CG1-CD2 4.17Å; V78-L112 HydrophobicContact CG1-CG 4.38Å; L81-L112 HydrophobicContact CB-CD1 4.26Å; L81-L112 HydrophobicContact CD2-CD1 3.75Å; L81-L112 HydrophobicContact CG-CD1 3.79Å; E82-L112 HydrophobicContact CB-CD2 3.96Å; E82-L112 HydrophobicContact CG-CD2 4Å; L85-L112 HydrophobicContact CD1-CB 3.95Å; L85-L112 HydrophobicContact CD1-CD1 4.17Å; V108-L112 WeakPolarHBondContact O-CB 3.38Å; V108-L112 PolarHBondContact O-N 3.38Å; G109-L112 PolarHBondContact O-N 3.1Å; L112-F114 PolarHBondContact O-N 2.87Å; L112-L115 PolarHBondContact O-N 3.47Å; L112-L116 HydrophobicContact CD1-CD1 4.37Å; L112-L116 HydrophobicContact CD1-CG 4.49Å; L112-L116 HydrophobicContact CG-CD1 4.01Å; L112-L116 WeakPolarHBondContact O-CB 3.5Å; L112-L116 VanDerWaalsContact O-CG 3.27Å; L112-L116 WeakPolarHBondContact O-CG 3.46Å; L112-L116 PolarHBondContact O-N 3.01Å
113N95Very high94.7Very high31 Ų3142.4 Ų42.417%0.16625%0.246CC..Hα-helixtrans-63-39.2177.9-71.6-25.4000112.5R15 G109 L111 A117R15-N113 WeakPolarHBondContact CG-OD1 3.37Å; G109-N113 VanDerWaalsContact O-CB 3.26Å; G109-N113 WeakPolarHBondContact O-CB 3.19Å; G109-N113 PolarHBondContact O-N 3.17Å; G109-N113 PolarHBondContact O-ND2 3.43Å; G109-N113 VanDerWaalsContact O-ND2 3.12Å; L111-N113 VanDerWaalsContact C-N 3.33Å; L111-N113 PolarHBondContact O-N 3.3Å; N113-A117 VanDerWaalsContact O-CB 3.29Å; N113-A117 WeakPolarHBondContact O-CB 3.23Å; N113-A117 PolarHBondContact O-N 2.89Å
114F96.9Very high94.4Very high1 Ų144.8 Ų44.80%0.00425%0.254CS..Hα-helixtrans-66.2-44.1174.1179.2-111000112.7L18 L41 V44 L110 L111 L112 A117 A118 I139 L177 A180 V181L18-F114 HydrophobicContact CD2-CB 3.85Å; L18-F114 HydrophobicContact CD2-CD2 4.03Å; L18-F114 HydrophobicContact CD2-CG 4.21Å; L41-F114 HydrophobicContact CD2-CZ 4.06Å; V44-F114 HydrophobicContact CG1-CD1 3.73Å; V44-F114 HydrophobicContact CG1-CD2 3.99Å; V44-F114 HydrophobicContact CG1-CE1 3.84Å; V44-F114 HydrophobicContact CG1-CE2 4.1Å; V44-F114 HydrophobicContact CG1-CG 3.8Å; V44-F114 HydrophobicContact CG1-CZ 4.04Å; V44-F114 HydrophobicContact CG2-CD2 4.37Å; V44-F114 HydrophobicContact CG2-CE2 4.16Å; L110-F114 WeakPolarHBondContact O-CB 3.32Å; L110-F114 PolarHBondContact O-N 3.29Å; L110-F114 VanDerWaalsContact O-N 3.1Å; L111-F114 PolarHBondContact O-N 3.37Å; L112-F114 PolarHBondContact O-N 2.87Å; F114-A117 PolarHBondContact O-N 3.02Å; F114-A118 WeakPolarHBondContact O-CB 3.43Å; F114-A118 PolarHBondContact O-N 3.38Å; F114-I139 HydrophobicContact CD1-CD1 4.32Å; F114-I139 HydrophobicContact CE1-CD1 4.15Å; F114-L177 HydrophobicContact CE1-CD2 3.77Å; F114-L177 HydrophobicContact CZ-CD2 4.14Å; F114-A180 HydrophobicContact CE2-CB 3.98Å; F114-A180 HydrophobicContact CZ-CB 4.39Å; F114-V181 HydrophobicContact CE2-CG1 3.92Å; F114-V181 HydrophobicContact CZ-CG1 4.38Å
115L96.9Very high94.1Very high4 Ų445.3 Ų45.32%0.02126%0.262CS..Hα-helixtrans-66-42.2178.2-69.7174.7000111.8L81 L85 L111 L112 A118 Y119 A135 L136L81-L115 HydrophobicContact CD1-CD1 4.45Å; L81-L115 HydrophobicContact CD2-CD1 4.35Å; L85-L115 HydrophobicContact CD1-CD1 4.3Å; L85-L115 HydrophobicContact CD2-CD1 4.34Å; L111-L115 HydrophobicContact CD1-CD1 4.13Å; L111-L115 HydrophobicContact CD1-CG 4.09Å; L111-L115 HydrophobicContact CG-CD1 4.16Å; L111-L115 WeakPolarHBondContact O-CG 3.39Å; L111-L115 PolarHBondContact O-N 2.98Å; L112-L115 PolarHBondContact O-N 3.47Å; L115-A118 PolarHBondContact O-N 3.22Å; L115-Y119 HydrophobicContact CD2-CD2 4.18Å; L115-Y119 HydrophobicContact CD2-CE2 4Å; L115-Y119 WeakPolarHBondContact O-CB 3.37Å; L115-Y119 WeakPolarHBondContact O-CD2 3.5Å; L115-Y119 PolarHBondContact O-N 3.46Å; L115-A135 HydrophobicContact CD2-CB 3.72Å; L115-L136 HydrophobicContact CD1-CD2 4.2Å
116L95.3Very high93.9Very high14 Ų1442.2 Ų42.27%0.07325%0.246CC..Hα-helixtrans-62.4-42.9174.2-69.1170.2000111.3V78 L112 A118 Y119 D120 I127V78-L116 HydrophobicContact CG1-CD1 3.94Å; V78-L116 HydrophobicContact CG1-CD2 4.18Å; V78-L116 HydrophobicContact CG2-CD2 3.91Å; L112-L116 HydrophobicContact CD1-CD1 4.37Å; L112-L116 HydrophobicContact CD1-CG 4.49Å; L112-L116 HydrophobicContact CG-CD1 4.01Å; L112-L116 WeakPolarHBondContact O-CB 3.5Å; L112-L116 VanDerWaalsContact O-CG 3.27Å; L112-L116 WeakPolarHBondContact O-CG 3.46Å; L112-L116 PolarHBondContact O-N 3.01Å; L116-A118 VanDerWaalsContact C-N 3.25Å; L116-A118 PolarHBondContact O-N 2.94Å; L116-Y119 PolarHBondContact O-N 3.44Å; L116-D120 HydrophobicContact CD2-CB 4.15Å; L116-D120 CarbonylContact O-C 3.57Å; L116-D120 WeakPolarHBondContact O-CA 3.26Å; L116-D120 PolarHBondContact O-N 3.02Å; L116-I127 HydrophobicContact CD2-CD1 4.07Å
117A94.5Very high93.9Very high46 Ų4638.3 Ų38.338%0.3823%0.228SC..Hα-helixtrans-64-27.6176.500000113.7Y19 N113 F114Y19-A117 HydrophobicContact CE2-CB 4.36Å; Y19-A117 WeakPolarHBondContact OH-CB 3.47Å; N113-A117 VanDerWaalsContact O-CB 3.29Å; N113-A117 WeakPolarHBondContact O-CB 3.23Å; N113-A117 PolarHBondContact O-N 2.89Å; F114-A117 PolarHBondContact O-N 3.02Å
118A96.1Very high94Very high11 Ų1139.7 Ų39.79%0.09124%0.238CC..Hα-helixtrans-86.3-34.1177.500000114F114 L115 L116 A180F114-A118 WeakPolarHBondContact O-CB 3.43Å; F114-A118 PolarHBondContact O-N 3.38Å; L115-A118 PolarHBondContact O-N 3.22Å; L116-A118 VanDerWaalsContact C-N 3.25Å; L116-A118 PolarHBondContact O-N 2.94Å; A118-A180 HydrophobicContact CB-CB 3.63Å
119Y96.8Very high94Very high24 Ų2439.4 Ų39.49%0.09424%0.236CC..Hα-helixtrans-124.1-18.5-164.9-64.1-70.5000115.5L115 L116 P121 V131 A135 E173 K176 L177L115-Y119 HydrophobicContact CD2-CD2 4.18Å; L115-Y119 HydrophobicContact CD2-CE2 4Å; L115-Y119 WeakPolarHBondContact O-CB 3.37Å; L115-Y119 WeakPolarHBondContact O-CD2 3.5Å; L115-Y119 PolarHBondContact O-N 3.46Å; L116-Y119 PolarHBondContact O-N 3.44Å; Y119-P121 VanDerWaalsContact C-CD 3.45Å; Y119-V131 HydrophobicContact CD1-CB 4.46Å; Y119-V131 HydrophobicContact CD1-CG1 3.21Å; Y119-V131 HydrophobicContact CD1-CG2 4.41Å; Y119-V131 HydrophobicContact CD2-CG1 3.76Å; Y119-V131 HydrophobicContact CE1-CG1 3.5Å; Y119-V131 HydrophobicContact CE2-CG1 4.04Å; Y119-V131 HydrophobicContact CG-CG1 3.36Å; Y119-A135 HydrophobicContact CE2-CB 3.6Å; Y119-E173 WeakPolarHBondContact CD1-OE2 3.31Å; Y119-E173 HydrophobicContact CE1-CB 4.22Å; Y119-E173 WeakPolarHBondContact CE1-O 3.5Å; Y119-E173 WeakPolarHBondContact CE1-OE2 3.37Å; Y119-E173 PolarHBondContact OH-O 3.35Å; Y119-K176 HydrophobicContact CD1-CB 4.24Å; Y119-K176 HydrophobicContact CD1-CD 3.55Å; Y119-K176 HydrophobicContact CE1-CB 3.75Å; Y119-K176 HydrophobicContact CE1-CD 3.63Å; Y119-K176 HydrophobicContact CE1-CG 4.26Å; Y119-L177 HydrophobicContact CE2-CD2 4.06Å; Y119-L177 WeakPolarHBondContact OH-CG 3.39Å
120D94.6Very high94.1Very high15 Ų1538.3 Ų38.38%0.0822%0.224CC..  trans-132.159.4173.5-173.124.4000111.7L116 E122 G123 H124 G125 I127L116-D120 HydrophobicContact CD2-CB 4.15Å; L116-D120 CarbonylContact O-C 3.57Å; L116-D120 WeakPolarHBondContact O-CA 3.26Å; L116-D120 PolarHBondContact O-N 3.02Å; D120-E122 PolarHBondContact O-N 3.4Å; D120-G123 PolarHBondContact O-N 3.13Å; D120-G123 WeakPolarHBondContact OD1-CA 3.3Å; D120-G123 PolarHBondContact OD1-N 3.28Å; D120-H124 PolarHBondContact OD1-N 3.48Å; D120-H124 IonicContact OD1-ND1 3.28Å; D120-H124 PolarHBondContact OD2-N 2.98Å; D120-G125 WeakPolarHBondContact OD2-CA 3.44Å; D120-G125 PolarHBondContact OD2-N 3.43Å; D120-I127 HydrophobicContact CB-CG1 4.28Å
121P88.6Confident94.2Very high105 Ų10538 Ų3868%0.68222%0.222SC*.THydrogen-bonded Turntrans-68.6-20.7-178.530-36.7000113.3Y119Y119-P121 VanDerWaalsContact C-CD 3.45Å
122E89.6Confident94.2Very high160 Ų16038 Ų3875%0.74822%0.223SC*.THydrogen-bonded Turntrans-90.8-13.5179.5-68.5176.9-164.700112.7D120 H124D120-E122 PolarHBondContact O-N 3.4Å; E122-H124 IonicContact OE2-CE1 3.14Å; E122-H124 PolarHBondContact OE2-CE1 2.83Å; E122-H124 VanDerWaalsContact OE2-CE1 3.28Å
123G88.4Confident94.3Very high58 Ų5837.7 Ų37.760%0.59822%0.221SC*.  trans81.732.8172.100000114.9D120 G125D120-G123 PolarHBondContact O-N 3.13Å; D120-G123 WeakPolarHBondContact OD1-CA 3.3Å; D120-G123 PolarHBondContact OD1-N 3.28Å; G123-G125 PolarHBondContact O-N 3.47Å
124H88.6Confident94.4Very high136 Ų13636.2 Ų36.263%0.6321%0.213SC*.  trans-65.4-17.5175-65.5109.3000113.5D120 E122D120-H124 PolarHBondContact OD1-N 3.48Å; D120-H124 IonicContact OD1-ND1 3.28Å; D120-H124 PolarHBondContact OD2-N 2.98Å; E122-H124 IonicContact OE2-CE1 3.14Å; E122-H124 PolarHBondContact OE2-CE1 2.83Å; E122-H124 VanDerWaalsContact OE2-CE1 3.28Å
125G88.2Confident94.5Very high25 Ų2536.2 Ų36.226%0.25821%0.213SC..SBendtrans78.219.3179.300000114.2A77 V78 D120 G123A77-G125 WeakPolarHBondContact CA-O 3.37Å; V78-G125 WeakPolarHBondContact CG2-O 3.39Å; V78-G125 PolarHBondContact N-O 3.4Å; V78-G125 VanDerWaalsContact N-O 3.16Å; D120-G125 WeakPolarHBondContact OD2-CA 3.44Å; D120-G125 PolarHBondContact OD2-N 3.43Å; G123-G125 PolarHBondContact O-N 3.47Å
126K90.6Very high94.5Very high100 Ų10036.1 Ų36.144%0.43521%0.212SC..EExtended strand (participates in β ladder)trans-143.3140.4-172-61.1-174.3-173.5176.60112.8E75 L76E75-K126 HydrophobicContact CB-CB 4.38Å; E75-K126 HydrophobicContact CB-CD 3.99Å; E75-K126 HydrophobicContact CG-CD 4.22Å; E75-K126 WeakPolarHBondContact OE1-CD 3.46Å; E75-K126 IonicContact OE1-NZ 3.43Å; E75-K126 PolarHBondContact OE1-NZ 2.92Å; E75-K126 WeakPolarHBondContact OE2-CD 3.46Å; E75-K126 IonicContact OE2-NZ 2.66Å; E75-K126 PolarHBondContact OE2-NZ 3.44Å; L76-K126 WeakPolarHBondContact O-CA 3.45Å
127I95.6Very high94.7Very high12 Ų1235.4 Ų35.46%0.06221%0.209CC..EExtended strand (participates in β ladder)trans-138.2137.1174.1-64.7175.8000108.4L76 L81 L116 D120 V131 V132L76-I127 WeakPolarHBondContact CA-O 3.11Å; L76-I127 WeakPolarHBondContact CB-O 3.11Å; L76-I127 PolarHBondContact N-O 3.03Å; L76-I127 PolarHBondContact O-N 2.92Å; L81-I127 HydrophobicContact CD2-CD1 3.94Å; L116-I127 HydrophobicContact CD2-CD1 4.07Å; D120-I127 HydrophobicContact CB-CG1 4.28Å; I127-V131 HydrophobicContact CG2-CB 3.62Å; I127-V131 HydrophobicContact CG2-CG1 3.35Å; I127-V132 HydrophobicContact CB-CG2 4.45Å; I127-V132 HydrophobicContact CG2-CG2 3.82Å
128S96.3Very high94.9Very high30 Ų3033.2 Ų33.221%0.2119%0.191CC..EExtended strand (participates in β ladder)trans-72.4153.3-178.270.20000113.5C74 F130 V131 V132C74-S128 CarbonylContact O-C 3.59Å; C74-S128 WeakPolarHBondContact O-CA 3.01Å; S128-F130 PolarHBondContact O-N 2.87Å; S128-V131 WeakPolarHBondContact O-CB 3.35Å; S128-V131 PolarHBondContact O-N 2.74Å; S128-V131 WeakPolarHBondContact OG-CG2 3.48Å; S128-V131 PolarHBondContact OG-N 3.42Å; S128-V132 PolarHBondContact O-N 3.18Å
129V97.4Very high94.9Very high0 Ų032.9 Ų32.90%019%0.187CC..Hα-helixtrans-56.2-37.8177170.90000111.7L67 M70 C74 L76 V131 V132 K133L67-V129 HydrophobicContact CB-CG1 4.42Å; L67-V129 HydrophobicContact CG-CG1 4.32Å; L67-V129 HydrophobicContact CG-CG2 4.41Å; M70-V129 HydrophobicContact CB-CG2 4.26Å; M70-V129 HydrophobicContact CE-CG2 3.73Å; M70-V129 HydrophobicContact SD-CG2 4.16Å; C74-V129 HydrophobicContact CB-CG2 4.39Å; C74-V129 PolarHBondContact O-N 3.07Å; L76-V129 HydrophobicContact CD1-CG2 4.43Å; V129-V131 PolarHBondContact O-N 3.38Å; V129-V132 PolarHBondContact O-N 3.16Å; V129-K133 HydrophobicContact CG1-CD 4.02Å; V129-K133 HydrophobicContact CG1-CG 4.41Å; V129-K133 WeakPolarHBondContact O-CB 3.11Å; V129-K133 VanDerWaalsContact O-CG 3.29Å; V129-K133 WeakPolarHBondContact O-CG 3.44Å; V129-K133 PolarHBondContact O-N 3.27Å
130F97.6Very high95Very high4 Ų431.7 Ų31.72%0.01818%0.182CC..Hα-helixtrans-56.1-49.4172.8-175.1-98.5000112L72 S128 K133 M134 I155 Q169 F170 E173L72-F130 HydrophobicContact CB-CB 4.13Å; L72-F130 HydrophobicContact CB-CD2 4.31Å; L72-F130 HydrophobicContact CD1-CD2 4.24Å; L72-F130 HydrophobicContact CD2-CD2 4.41Å; L72-F130 VanDerWaalsContact O-CB 3.26Å; L72-F130 WeakPolarHBondContact O-CB 3.49Å; L72-F130 PolarHBondContact O-N 3.43Å; S128-F130 PolarHBondContact O-N 2.87Å; F130-K133 PolarHBondContact O-N 3.46Å; F130-M134 HydrophobicContact CD1-CG 4Å; F130-M134 HydrophobicContact CD2-CG 4.27Å; F130-M134 HydrophobicContact CE1-CG 3.67Å; F130-M134 HydrophobicContact CE2-CG 3.97Å; F130-M134 HydrophobicContact CE2-SD 4.38Å; F130-M134 HydrophobicContact CG-CG 4.3Å; F130-M134 HydrophobicContact CZ-CG 3.67Å; F130-M134 HydrophobicContact CZ-SD 4.29Å; F130-M134 WeakPolarHBondContact O-CB 3.21Å; F130-M134 VanDerWaalsContact O-CG 3.3Å; F130-M134 WeakPolarHBondContact O-CG 3.48Å; F130-M134 PolarHBondContact O-N 2.7Å; F130-I155 HydrophobicContact CE2-CG2 4.16Å; F130-I155 HydrophobicContact CZ-CG2 4.27Å; F130-Q169 HydrophobicContact CD1-CG 4.11Å; F130-Q169 HydrophobicContact CE1-CB 4.22Å; F130-Q169 HydrophobicContact CE1-CG 3.7Å; F130-Q169 HydrophobicContact CZ-CB 4.34Å; F130-Q169 HydrophobicContact CZ-CG 4.22Å; F130-F170 HydrophobicContact CZ-CB 4.02Å; F130-E173 HydrophobicContact CD1-CG 4.3Å; F130-E173 HydrophobicContact CE1-CG 4.25Å
131V97.3Very high95.1Very high8 Ų831.2 Ų31.25%0.04818%0.181CC..Hα-helixtrans-62.8-47.1-179.3169.90000111.2Y119 I127 S128 V129 K133 M134 A135 E173Y119-V131 HydrophobicContact CD1-CB 4.46Å; Y119-V131 HydrophobicContact CD1-CG1 3.21Å; Y119-V131 HydrophobicContact CD1-CG2 4.41Å; Y119-V131 HydrophobicContact CD2-CG1 3.76Å; Y119-V131 HydrophobicContact CE1-CG1 3.5Å; Y119-V131 HydrophobicContact CE2-CG1 4.04Å; Y119-V131 HydrophobicContact CG-CG1 3.36Å; I127-V131 HydrophobicContact CG2-CB 3.62Å; I127-V131 HydrophobicContact CG2-CG1 3.35Å; S128-V131 WeakPolarHBondContact O-CB 3.35Å; S128-V131 PolarHBondContact O-N 2.74Å; S128-V131 WeakPolarHBondContact OG-CG2 3.48Å; S128-V131 PolarHBondContact OG-N 3.42Å; V129-V131 PolarHBondContact O-N 3.38Å; V131-K133 VanDerWaalsContact C-N 3.3Å; V131-K133 PolarHBondContact O-N 3.47Å; V131-M134 PolarHBondContact O-N 3.15Å; V131-A135 WeakPolarHBondContact O-CB 3.24Å; V131-A135 PolarHBondContact O-N 2.65Å; V131-E173 HydrophobicContact CG2-CB 4.28Å; V131-E173 HydrophobicContact CG2-CG 3.7Å; V131-E173 VanDerWaalsContact CG2-OE2 3.29Å; V131-E173 WeakPolarHBondContact CG2-OE2 3.49Å
132V97.8Very high95.4Very high2 Ų228.5 Ų28.51%0.01217%0.172CC..Hα-helixtrans-58.3-43.9178.2178.80000111F62 L67 L76 L81 I127 S128 V129 L136F62-V132 HydrophobicContact CE1-CG1 3.91Å; F62-V132 HydrophobicContact CZ-CG1 4.29Å; L67-V132 HydrophobicContact CD2-CG1 4.27Å; L76-V132 HydrophobicContact CD2-CG2 4.18Å; L81-V132 HydrophobicContact CD1-CB 4.44Å; L81-V132 HydrophobicContact CD1-CG1 3.67Å; L81-V132 HydrophobicContact CD1-CG2 3.86Å; I127-V132 HydrophobicContact CB-CG2 4.45Å; I127-V132 HydrophobicContact CG2-CG2 3.82Å; S128-V132 PolarHBondContact O-N 3.18Å; V129-V132 PolarHBondContact O-N 3.16Å; V132-L136 HydrophobicContact CG1-CD1 3.97Å; V132-L136 WeakPolarHBondContact O-CB 3.49Å; V132-L136 WeakPolarHBondContact O-CG 3.21Å; V132-L136 PolarHBondContact O-N 2.96Å
133K98Very high95.7Very high6 Ų628.3 Ų28.33%0.02617%0.168CC..Hα-helixtrans-62-53.4175.6-73174.6173-176.30112.2F62 L67 L72 V129 F130 V131 A137 Y150F62-K133 HydrophobicContact CD2-CG 4.03Å; F62-K133 HydrophobicContact CE2-CB 4.09Å; F62-K133 HydrophobicContact CE2-CG 3.68Å; F62-K133 HydrophobicContact CZ-CB 4.44Å; F62-K133 HydrophobicContact CZ-CG 4.14Å; L67-K133 WeakPolarHBondContact O-CE 3.48Å; L67-K133 PolarHBondContact O-NZ 3.12Å; L72-K133 HydrophobicContact CD2-CD 3.87Å; V129-K133 HydrophobicContact CG1-CD 4.02Å; V129-K133 HydrophobicContact CG1-CG 4.41Å; V129-K133 WeakPolarHBondContact O-CB 3.11Å; V129-K133 VanDerWaalsContact O-CG 3.29Å; V129-K133 WeakPolarHBondContact O-CG 3.44Å; V129-K133 PolarHBondContact O-N 3.27Å; F130-K133 PolarHBondContact O-N 3.46Å; V131-K133 VanDerWaalsContact C-N 3.3Å; V131-K133 PolarHBondContact O-N 3.47Å; K133-A137 WeakPolarHBondContact O-CB 3.37Å; K133-A137 PolarHBondContact O-N 2.73Å; K133-Y150 HydrophobicContact CB-CE1 4.49Å
134M97.8Very high96.1Very high0 Ų026.7 Ų26.70%015%0.146CC..Hα-helixtrans-68.6-38.1-174.5-67.4-56.994.200112.5F130 V131 S138 Y150 I151 Q154 F170F130-M134 HydrophobicContact CD1-CG 4Å; F130-M134 HydrophobicContact CD2-CG 4.27Å; F130-M134 HydrophobicContact CE1-CG 3.67Å; F130-M134 HydrophobicContact CE2-CG 3.97Å; F130-M134 HydrophobicContact CE2-SD 4.38Å; F130-M134 HydrophobicContact CG-CG 4.3Å; F130-M134 HydrophobicContact CZ-CG 3.67Å; F130-M134 HydrophobicContact CZ-SD 4.29Å; F130-M134 WeakPolarHBondContact O-CB 3.21Å; F130-M134 VanDerWaalsContact O-CG 3.3Å; F130-M134 WeakPolarHBondContact O-CG 3.48Å; F130-M134 PolarHBondContact O-N 2.7Å; V131-M134 PolarHBondContact O-N 3.15Å; M134-S138 VanDerWaalsContact O-CB 3.26Å; M134-S138 WeakPolarHBondContact O-CB 3.48Å; M134-S138 PolarHBondContact O-N 2.89Å; M134-S138 VanDerWaalsContact O-N 3.1Å; M134-S138 PolarHBondContact O-OG 3.46Å; M134-Y150 HydrophobicContact CE-CE1 4.22Å; M134-I151 HydrophobicContact CE-CG1 4.41Å; M134-I151 HydrophobicContact SD-CB 4.45Å; M134-I151 HydrophobicContact SD-CG1 4.21Å; M134-I151 HydrophobicContact SD-CG2 4.04Å; M134-Q154 HydrophobicContact CE-CB 3.54Å; M134-Q154 HydrophobicContact CE-CG 3.61Å; M134-F170 HydrophobicContact CB-CD2 4.19Å; M134-F170 HydrophobicContact CG-CD2 3.99Å; M134-F170 HydrophobicContact SD-CD2 3.6Å; M134-F170 VanDerWaalsContact SD-CD2 3.6Å; M134-F170 HydrophobicContact SD-CE2 4.22Å; M134-F170 HydrophobicContact SD-CG 4.46Å
135A98.2Very high96.6Very high0 Ų023.5 Ų23.50%013%0.133CC..Hα-helixtrans-62.3-60.5175.800000110.7L115 Y119 V131 A137 S138 I139L115-A135 HydrophobicContact CD2-CB 3.72Å; Y119-A135 HydrophobicContact CE2-CB 3.6Å; V131-A135 WeakPolarHBondContact O-CB 3.24Å; V131-A135 PolarHBondContact O-N 2.65Å; A135-A137 PolarHBondContact O-N 3.06Å; A135-S138 WeakPolarHBondContact O-CA 3.4Å; A135-S138 WeakPolarHBondContact O-CB 3.4Å; A135-S138 PolarHBondContact O-N 3.41Å; A135-I139 WeakPolarHBondContact O-CG1 3.42Å; A135-I139 PolarHBondContact O-N 2.9Å
136L98.4Very high97.1Very high2 Ų224 Ų241%0.0113%0.13CC..Hα-helixtrans-62.6-40-176.3-67.5174.1000112.3L50 V58 F62 L85 L111 L115 V132 S138 I139 C140L50-L136 HydrophobicContact CD1-CD2 4.38Å; V58-L136 HydrophobicContact CG1-CB 4.03Å; F62-L136 HydrophobicContact CE1-CD1 3.79Å; F62-L136 HydrophobicContact CZ-CB 4.19Å; F62-L136 HydrophobicContact CZ-CD1 3.85Å; L85-L136 HydrophobicContact CD2-CD1 3.88Å; L85-L136 HydrophobicContact CD2-CD2 4.06Å; L111-L136 HydrophobicContact CD1-CD2 4.33Å; L111-L136 HydrophobicContact CD2-CD2 3.95Å; L111-L136 HydrophobicContact CG-CD2 4.49Å; L115-L136 HydrophobicContact CD1-CD2 4.2Å; V132-L136 HydrophobicContact CG1-CD1 3.97Å; V132-L136 WeakPolarHBondContact O-CB 3.49Å; V132-L136 WeakPolarHBondContact O-CG 3.21Å; V132-L136 PolarHBondContact O-N 2.96Å; L136-S138 PolarHBondContact O-N 2.79Å; L136-I139 PolarHBondContact O-N 2.93Å; L136-C140 VanDerWaalsContact O-CB 3.31Å; L136-C140 WeakPolarHBondContact O-CB 3.32Å; L136-C140 PolarHBondContact O-N 3.13Å; L136-C140 PolarHBondContact O-SG 3.34Å
137A98.3Very high97.4Very high0 Ų019.4 Ų19.40%011%0.11CC..Hα-helixtrans-66.5-19.3173.800000113.9I55 K133 A135 K147 Y150 I151I55-A137 HydrophobicContact CD1-CB 3.69Å; K133-A137 WeakPolarHBondContact O-CB 3.37Å; K133-A137 PolarHBondContact O-N 2.73Å; A135-A137 PolarHBondContact O-N 3.06Å; A137-K147 WeakPolarHBondContact O-CE 3.23Å; A137-Y150 HydrophobicContact CB-CD1 3.52Å; A137-Y150 HydrophobicContact CB-CE1 3.76Å; A137-I151 HydrophobicContact CB-CG1 4.11Å
138S98.1Very high97.6Very high0 Ų019 Ų190%011%0.108CC..Hα-helixtrans-87-36.9174.1-60.50000112.4M134 A135 L136 K147 V174M134-S138 VanDerWaalsContact O-CB 3.26Å; M134-S138 WeakPolarHBondContact O-CB 3.48Å; M134-S138 PolarHBondContact O-N 2.89Å; M134-S138 VanDerWaalsContact O-N 3.1Å; M134-S138 PolarHBondContact O-OG 3.46Å; A135-S138 WeakPolarHBondContact O-CA 3.4Å; A135-S138 WeakPolarHBondContact O-CB 3.4Å; A135-S138 PolarHBondContact O-N 3.41Å; L136-S138 PolarHBondContact O-N 2.79Å; S138-K147 WeakPolarHBondContact O-CE 3.47Å; S138-K147 PolarHBondContact O-NZ 2.75Å; S138-V174 WeakPolarHBondContact OG-CG2 3.22Å
139I97.4Very high97.7Very high3 Ų322.8 Ų22.82%0.01512%0.118CC..Hα-helixtrans-101-6.2-175.363.4167.6000115.9Q45 L50 L111 F114 A135 L136 L177Q45-I139 WeakPolarHBondContact CG-O 3.14Å; Q45-I139 PolarHBondContact NE2-O 2.94Å; L50-I139 HydrophobicContact CD1-CB 4.5Å; L50-I139 HydrophobicContact CD1-CD1 3.48Å; L50-I139 VanDerWaalsContact CD1-CD1 3.48Å; L50-I139 HydrophobicContact CD1-CG1 3.67Å; L111-I139 HydrophobicContact CD1-CD1 3.9Å; F114-I139 HydrophobicContact CD1-CD1 4.32Å; F114-I139 HydrophobicContact CE1-CD1 4.15Å; A135-I139 WeakPolarHBondContact O-CG1 3.42Å; A135-I139 PolarHBondContact O-N 2.9Å; L136-I139 PolarHBondContact O-N 2.93Å; I139-L177 HydrophobicContact CG2-CD1 3.8Å; I139-L177 HydrophobicContact CG2-CD2 4.2Å
140C98.3Very high97.7Very high0 Ų024 Ų240%012%0.122CC..SBendtrans-64163.9171.267.20000113.1Q45 V53 V58 L136 K147Q45-C140 PolarHBondContact NE2-O 3.25Å; V53-C140 WeakPolarHBondContact O-CB 3.16Å; V58-C140 HydrophobicContact CG2-CB 3.94Å; L136-C140 VanDerWaalsContact O-CB 3.31Å; L136-C140 WeakPolarHBondContact O-CB 3.32Å; L136-C140 PolarHBondContact O-N 3.13Å; L136-C140 PolarHBondContact O-SG 3.34Å; C140-K147 PolarHBondContact O-NZ 3.33Å; C140-K147 VanDerWaalsContact SG-CE 3.56Å
141G96.5Very high97.8Very high5 Ų523.9 Ų23.95%0.05212%0.122CC..  trans-75.7-159.5171.700000113.2L50 V53L50-G141 PolarHBondContact O-N 3.43Å; V53-G141 WeakPolarHBondContact O-CA 3.32Å; V53-G141 PolarHBondContact O-N 2.76Å
142G95.6Very high97.8Very high47 Ų4723.9 Ų23.949%0.48512%0.121SC..SBendtrans75.8-169.1-178.800000115H229G142-H229 PolarHBondContact O-CE1 3.41Å; G142-H229 VanDerWaalsContact O-CE1 3.22Å; G142-H229 PolarHBondContact O-ND1 3.38Å
143K96.3Very high97.8Very high156 Ų15626.6 Ų26.668%0.67814%0.14SC*.  trans-74.3129.5-172.4-66.7171.2179.7173.30111.7L145 D146 K147K143-L145 VanDerWaalsContact C-N 3.33Å; K143-L145 PolarHBondContact O-N 3.24Å; K143-D146 WeakPolarHBondContact CB-OD2 3.17Å; K143-D146 VanDerWaalsContact CD-OD2 3.28Å; K143-D146 WeakPolarHBondContact CD-OD2 3.14Å; K143-D146 PolarHBondContact O-N 2.73Å; K143-K147 PolarHBondContact O-N 3.21Å
144I96.9Very high97.7Very high24 Ų2428.1 Ų28.112%0.12315%0.147CC..Hα-helixtrans-58.7-39.6-180-171.2166.8000113.2D146 K147 L148 M214 P226 H229I144-D146 VanDerWaalsContact C-N 3.29Å; I144-D146 PolarHBondContact O-N 3.27Å; I144-K147 WeakPolarHBondContact O-CB 3.37Å; I144-K147 PolarHBondContact O-N 2.64Å; I144-L148 HydrophobicContact CG1-CD1 4.04Å; I144-L148 HydrophobicContact CG1-CG 4.13Å; I144-L148 WeakPolarHBondContact O-CB 3.46Å; I144-L148 WeakPolarHBondContact O-CG 3.35Å; I144-L148 PolarHBondContact O-N 3.21Å; I144-M214 HydrophobicContact CD1-CE 4.35Å; I144-M214 HydrophobicContact CD1-SD 3.76Å; I144-M214 HydrophobicContact CG1-SD 4.13Å; I144-M214 HydrophobicContact CG2-CE 3.86Å; I144-M214 HydrophobicContact CG2-SD 4.03Å; I144-P226 HydrophobicContact CD1-CB 4.15Å; I144-P226 HydrophobicContact CD1-CG 4.12Å; I144-H229 HydrophobicContact CB-CB 4.48Å
145L97.6Very high97.7Very high69 Ų6928.1 Ų28.136%0.36115%0.147SC..Hα-helixtrans-62-36.3-179.4-63.2178.5000112.5K143 L148 R149 L210 M214K143-L145 VanDerWaalsContact C-N 3.33Å; K143-L145 PolarHBondContact O-N 3.24Å; L145-L148 PolarHBondContact O-N 2.84Å; L145-R149 WeakPolarHBondContact O-CB 3.43Å; L145-R149 WeakPolarHBondContact O-CD 3.42Å; L145-R149 WeakPolarHBondContact O-CG 3.37Å; L145-R149 PolarHBondContact O-N 3.47Å; L145-L210 HydrophobicContact CD2-CD2 4.18Å; L145-M214 HydrophobicContact CD2-CG 3.93Å
146D98.3Very high97.6Very high36 Ų3629.7 Ų29.719%0.19316%0.158CC..Hα-helixtrans-76.9-33.7-177.9-57.2-34.7000111.2I55 K143 I144 R149 Y150I55-D146 HydrophobicContact CG2-CB 4.01Å; K143-D146 WeakPolarHBondContact CB-OD2 3.17Å; K143-D146 VanDerWaalsContact CD-OD2 3.28Å; K143-D146 WeakPolarHBondContact CD-OD2 3.14Å; K143-D146 PolarHBondContact O-N 2.73Å; I144-D146 VanDerWaalsContact C-N 3.29Å; I144-D146 PolarHBondContact O-N 3.27Å; D146-R149 PolarHBondContact O-N 2.95Å; D146-R149 IonicContact OD1-CZ 2.73Å; D146-R149 IonicContact OD1-NH1 3.32Å; D146-R149 PolarHBondContact OD1-NH1 2.72Å; D146-Y150 PolarHBondContact O-N 2.92Å
147K98.4Very high97.5Very high4 Ų432.8 Ų32.82%0.01718%0.175CC..Hα-helixtrans-62.6-45.7167.6-63.6170.462.7177.20111.9I55 A137 S138 C140 K143 I144 Y150 I151 H229I55-K147 HydrophobicContact CB-CG 4.11Å; I55-K147 HydrophobicContact CD1-CG 4.39Å; I55-K147 HydrophobicContact CG1-CG 4.45Å; A137-K147 WeakPolarHBondContact O-CE 3.23Å; S138-K147 WeakPolarHBondContact O-CE 3.47Å; S138-K147 PolarHBondContact O-NZ 2.75Å; C140-K147 PolarHBondContact O-NZ 3.33Å; C140-K147 VanDerWaalsContact SG-CE 3.56Å; K143-K147 PolarHBondContact O-N 3.21Å; I144-K147 WeakPolarHBondContact O-CB 3.37Å; I144-K147 PolarHBondContact O-N 2.64Å; K147-Y150 PolarHBondContact O-N 3.09Å; K147-I151 WeakPolarHBondContact O-CG1 3.29Å; K147-I151 PolarHBondContact O-N 3Å; K147-H229 PolarHBondContact NZ-CE1 2.94Å; K147-H229 PolarHBondContact NZ-NE2 3.15Å
148L98.4Very high97.4Very high3 Ų339.4 Ų39.42%0.01622%0.221CC..Hα-helixtrans-67-36.3178-70.4-178.7000112.3I144 L145 I151 F152 F209 L210 L213 M214I144-L148 HydrophobicContact CG1-CD1 4.04Å; I144-L148 HydrophobicContact CG1-CG 4.13Å; I144-L148 WeakPolarHBondContact O-CB 3.46Å; I144-L148 WeakPolarHBondContact O-CG 3.35Å; I144-L148 PolarHBondContact O-N 3.21Å; L145-L148 PolarHBondContact O-N 2.84Å; L148-I151 HydrophobicContact CD2-CD1 4.41Å; L148-I151 PolarHBondContact O-N 3.36Å; L148-F152 WeakPolarHBondContact O-CB 3.35Å; L148-F152 PolarHBondContact O-N 3.31Å; L148-F209 HydrophobicContact CB-CE1 4.19Å; L148-F209 HydrophobicContact CD2-CE1 4.34Å; L148-L210 HydrophobicContact CB-CD2 3.45Å; L148-L210 VanDerWaalsContact CB-CD2 3.45Å; L148-L210 HydrophobicContact CD1-CD2 4.06Å; L148-L210 HydrophobicContact CG-CD2 4.42Å; L148-L213 HydrophobicContact CD1-CB 4.1Å; L148-L213 HydrophobicContact CD1-CD2 4.49Å; L148-L213 HydrophobicContact CD2-CD2 3.71Å; L148-M214 HydrophobicContact CD1-CG 4.1Å; L148-M214 HydrophobicContact CD1-SD 3.82Å
149R98.6Very high97.2Very high110 Ų11043 Ų4342%0.41525%0.251SS..Hα-helixtrans-60.6-44170.1-75.6164.2179.2140.42.3112L145 D146 F152 S153 L206 L210L145-R149 WeakPolarHBondContact O-CB 3.43Å; L145-R149 WeakPolarHBondContact O-CD 3.42Å; L145-R149 WeakPolarHBondContact O-CG 3.37Å; L145-R149 PolarHBondContact O-N 3.47Å; D146-R149 PolarHBondContact O-N 2.95Å; D146-R149 IonicContact OD1-CZ 2.73Å; D146-R149 IonicContact OD1-NH1 3.32Å; D146-R149 PolarHBondContact OD1-NH1 2.72Å; R149-F152 PolarHBondContact O-N 3.05Å; R149-S153 PolarHBondContact O-N 3.35Å; R149-S153 VanDerWaalsContact O-N 3.09Å; R149-L206 HydrophobicContact CB-CD1 4.5Å; R149-L206 HydrophobicContact CG-CD1 4.01Å; R149-L206 HydrophobicContact CG-CD2 4.28Å; R149-L210 HydrophobicContact CG-CD1 4.2Å
150Y98.5Very high97.2Very high25 Ų2544.5 Ų44.510%0.09827%0.267CS..Hα-helixtrans-64.3-46.1174.8176.7-96.6000112I55 I59 K133 M134 A137 D146 K147 F152 S153 Q154I55-Y150 HydrophobicContact CD1-CD1 3.84Å; I55-Y150 HydrophobicContact CD1-CG 3.94Å; I55-Y150 HydrophobicContact CG1-CG 4.11Å; I59-Y150 HydrophobicContact CD1-CD2 3.61Å; I59-Y150 HydrophobicContact CD1-CE2 4.13Å; I59-Y150 HydrophobicContact CD1-CG 4.29Å; I59-Y150 HydrophobicContact CG1-CD2 3.64Å; I59-Y150 HydrophobicContact CG1-CE2 3.64Å; I59-Y150 HydrophobicContact CG1-CG 4.4Å; K133-Y150 HydrophobicContact CB-CE1 4.49Å; M134-Y150 HydrophobicContact CE-CE1 4.22Å; A137-Y150 HydrophobicContact CB-CD1 3.52Å; A137-Y150 HydrophobicContact CB-CE1 3.76Å; D146-Y150 PolarHBondContact O-N 2.92Å; K147-Y150 PolarHBondContact O-N 3.09Å; Y150-F152 VanDerWaalsContact C-N 3.32Å; Y150-F152 PolarHBondContact O-N 3.37Å; Y150-S153 PolarHBondContact O-N 2.96Å; Y150-S153 PolarHBondContact O-OG 3.46Å; Y150-Q154 HydrophobicContact CE1-CG 3.97Å; Y150-Q154 HydrophobicContact CE2-CG 4.28Å; Y150-Q154 PolarHBondContact O-N 3.39Å
151I98.3Very high97.2Very high1 Ų146.5 Ų46.51%0.00528%0.277CS..Hα-helixtrans-57.4-47.5176.2-72.3163.7000110.2M134 A137 K147 L148 S153 Q154 I155 F170 F209M134-I151 HydrophobicContact CE-CG1 4.41Å; M134-I151 HydrophobicContact SD-CB 4.45Å; M134-I151 HydrophobicContact SD-CG1 4.21Å; M134-I151 HydrophobicContact SD-CG2 4.04Å; A137-I151 HydrophobicContact CB-CG1 4.11Å; K147-I151 WeakPolarHBondContact O-CG1 3.29Å; K147-I151 PolarHBondContact O-N 3Å; L148-I151 HydrophobicContact CD2-CD1 4.41Å; L148-I151 PolarHBondContact O-N 3.36Å; I151-S153 VanDerWaalsContact C-N 3.32Å; I151-S153 PolarHBondContact O-N 2.84Å; I151-Q154 PolarHBondContact O-N 3.08Å; I151-Q154 VanDerWaalsContact O-N 3.08Å; I151-I155 PolarHBondContact O-N 2.98Å; I151-F170 HydrophobicContact CD1-CE2 4.03Å; I151-F170 HydrophobicContact CD1-CZ 4.23Å; I151-F170 HydrophobicContact CG1-CE2 4.36Å; I151-F170 HydrophobicContact CG2-CD1 4.41Å; I151-F170 HydrophobicContact CG2-CD2 3.87Å; I151-F170 HydrophobicContact CG2-CE1 4.21Å; I151-F170 HydrophobicContact CG2-CE2 3.65Å; I151-F170 HydrophobicContact CG2-CG 4.24Å; I151-F170 HydrophobicContact CG2-CZ 3.83Å; I151-F209 HydrophobicContact CG2-CZ 4.28Å
152F98.4Very high97.2Very high8 Ų846.4 Ų46.44%0.03528%0.276CS..Hα-helixtrans-54.4-45.4176.5-171.3-91.8000112.1L148 R149 Y150 Q154 I155 S156 G160 M162 L206 F209L148-F152 WeakPolarHBondContact O-CB 3.35Å; L148-F152 PolarHBondContact O-N 3.31Å; R149-F152 PolarHBondContact O-N 3.05Å; Y150-F152 VanDerWaalsContact C-N 3.32Å; Y150-F152 PolarHBondContact O-N 3.37Å; F152-Q154 PolarHBondContact O-N 2.83Å; F152-I155 CarbonylContact O-C 3.57Å; F152-I155 WeakPolarHBondContact O-CG1 3.43Å; F152-I155 PolarHBondContact O-N 3.08Å; F152-S156 WeakPolarHBondContact O-CB 3.28Å; F152-S156 PolarHBondContact O-N 3.34Å; F152-S156 PolarHBondContact O-OG 3.26Å; F152-G160 WeakPolarHBondContact CE1-O 3.43Å; F152-G160 WeakPolarHBondContact CZ-O 3.42Å; F152-M162 HydrophobicContact CE2-CB 3.87Å; F152-M162 HydrophobicContact CE2-CG 4.37Å; F152-M162 HydrophobicContact CZ-CB 4.33Å; F152-L206 HydrophobicContact CB-CD1 3.73Å; F152-L206 HydrophobicContact CD1-CB 3.94Å; F152-L206 HydrophobicContact CD1-CD1 3.76Å; F152-L206 HydrophobicContact CD1-CG 4.39Å; F152-L206 HydrophobicContact CD2-CD1 4.29Å; F152-L206 HydrophobicContact CE1-CB 3.79Å; F152-L206 HydrophobicContact CE1-CD1 4.47Å; F152-L206 HydrophobicContact CG-CB 4.42Å; F152-L206 HydrophobicContact CG-CD1 3.66Å; F152-L206 HydrophobicContact CZ-CB 4.14Å; F152-L206 VanDerWaalsContact CZ-N 3.25Å; F152-F209 HydrophobicContact CB-CD1 4.16Å; F152-F209 HydrophobicContact CB-CE1 4.14Å; F152-F209 HydrophobicContact CD2-CB 3.64Å; F152-F209 AromaticContact CD2-CD1 3.73Å; F152-F209 HydrophobicContact CD2-CD1 3.73Å; F152-F209 AromaticContact CD2-CD2 3.95Å; F152-F209 HydrophobicContact CD2-CD2 3.95Å; F152-F209 HydrophobicContact CD2-CE1 4.31Å; F152-F209 AromaticContact CD2-CG 3.53Å; F152-F209 HydrophobicContact CD2-CG 3.53Å; F152-F209 HydrophobicContact CE2-CB 3.73Å; F152-F209 HydrophobicContact CE2-CD2 4.45Å; F152-F209 HydrophobicContact CE2-CG 4.08Å; F152-F209 HydrophobicContact CG-CD1 4.36Å
153S97.3Very high97.2Very high60 Ų6046.6 Ų46.642%0.4227%0.268SS..Hα-helixtrans-66.4-16.8-179.681.20000114.8R149 Y150 I151R149-S153 PolarHBondContact O-N 3.35Å; R149-S153 VanDerWaalsContact O-N 3.09Å; Y150-S153 PolarHBondContact O-N 2.96Å; Y150-S153 PolarHBondContact O-OG 3.46Å; I151-S153 VanDerWaalsContact C-N 3.32Å; I151-S153 PolarHBondContact O-N 2.84Å
154Q96.6Very high97.1Very high37 Ų3743 Ų4317%0.17325%0.253CS..THydrogen-bonded Turntrans-93.6-5.4173.1-53.7-54.8-86.900113M134 Y150 I151 F152M134-Q154 HydrophobicContact CE-CB 3.54Å; M134-Q154 HydrophobicContact CE-CG 3.61Å; Y150-Q154 HydrophobicContact CE1-CG 3.97Å; Y150-Q154 HydrophobicContact CE2-CG 4.28Å; Y150-Q154 PolarHBondContact O-N 3.39Å; I151-Q154 PolarHBondContact O-N 3.08Å; I151-Q154 VanDerWaalsContact O-N 3.08Å; F152-Q154 PolarHBondContact O-N 2.83Å
155I96.9Very high97Very high0 Ų045.6 Ų45.60%027%0.273CS..THydrogen-bonded Turntrans-123.3-2.8178.667.8173.6000114.1F130 I151 F152 M162 V163 Q166 F167 F170 F209F130-I155 HydrophobicContact CE2-CG2 4.16Å; F130-I155 HydrophobicContact CZ-CG2 4.27Å; I151-I155 PolarHBondContact O-N 2.98Å; F152-I155 CarbonylContact O-C 3.57Å; F152-I155 WeakPolarHBondContact O-CG1 3.43Å; F152-I155 PolarHBondContact O-N 3.08Å; I155-M162 HydrophobicContact CD1-CG 3.93Å; I155-M162 HydrophobicContact CD1-SD 4.16Å; I155-M162 HydrophobicContact CG1-CG 4.18Å; I155-V163 WeakPolarHBondContact O-CB 3.48Å; I155-V163 PolarHBondContact O-N 2.91Å; I155-Q166 HydrophobicContact CB-CB 3.67Å; I155-Q166 HydrophobicContact CG2-CB 3.92Å; I155-Q166 WeakPolarHBondContact CG2-O 3.42Å; I155-F167 HydrophobicContact CD1-CB 4.14Å; I155-F167 HydrophobicContact CD1-CD2 3.85Å; I155-F167 HydrophobicContact CD1-CG 4.48Å; I155-F170 HydrophobicContact CG2-CB 4.11Å; I155-F209 HydrophobicContact CD1-CE2 3.91Å; I155-F209 HydrophobicContact CD1-CZ 4.27Å
156S97.1Very high96.9Very high33 Ų3344.9 Ų44.923%0.23127%0.268CS..BIsolated β-bridgetrans-91.5155.9175.364.40000112.9F152 I161F152-S156 WeakPolarHBondContact O-CB 3.28Å; F152-S156 PolarHBondContact O-N 3.34Å; F152-S156 PolarHBondContact O-OG 3.26Å; S156-I161 CarbonylContact C-O 3.59Å; S156-I161 VanDerWaalsContact CA-O 3.24Å; S156-I161 WeakPolarHBondContact CA-O 3.26Å
157D96.1Very high96.8Very high68 Ų6843.2 Ų43.236%0.36426%0.259SS..  trans-77.1177.7166.966.818.8000112.2A159 G160 I161 V163D157-A159 PolarHBondContact O-N 3.18Å; D157-A159 VanDerWaalsContact O-N 3.17Å; D157-A159 VanDerWaalsContact OD1-C 3.31Å; D157-A159 VanDerWaalsContact OD1-CA 3.29Å; D157-A159 WeakPolarHBondContact OD1-CA 3.47Å; D157-A159 WeakPolarHBondContact OD1-CB 3.33Å; D157-A159 PolarHBondContact OD1-N 3.17Å; D157-G160 PolarHBondContact O-N 3.1Å; D157-G160 VanDerWaalsContact O-N 3.1Å; D157-G160 PolarHBondContact OD1-N 2.84Å; D157-G160 VanDerWaalsContact OD1-N 3.11Å; D157-I161 PolarHBondContact N-O 2.87Å; D157-I161 PolarHBondContact OD1-N 3.49Å; D157-V163 HydrophobicContact CB-CG2 3.93Å
158S95.1Very high96.7Very high138 Ų13844.5 Ų44.597%0.96527%0.266SS*.THydrogen-bonded Turntrans-69.2-3.4176.260.30000114.4
159A95.7Very high96.6Very high77 Ų7747.7 Ų47.764%0.63628%0.281SS*.THydrogen-bonded Turntrans-1016.3172.600000112.2D157 I161D157-A159 PolarHBondContact O-N 3.18Å; D157-A159 VanDerWaalsContact O-N 3.17Å; D157-A159 VanDerWaalsContact OD1-C 3.31Å; D157-A159 VanDerWaalsContact OD1-CA 3.29Å; D157-A159 WeakPolarHBondContact OD1-CA 3.47Å; D157-A159 WeakPolarHBondContact OD1-CB 3.33Å; D157-A159 PolarHBondContact OD1-N 3.17Å; A159-I161 VanDerWaalsContact C-N 3.31Å; A159-I161 HydrophobicContact CB-CG1 4.49Å; A159-I161 PolarHBondContact O-N 2.87Å
160G95.9Very high96.6Very high34 Ų3442.4 Ų42.435%0.35126%0.261SS..SBendtrans73.819.2179.800000114F152 D157F152-G160 WeakPolarHBondContact CE1-O 3.43Å; F152-G160 WeakPolarHBondContact CZ-O 3.42Å; D157-G160 PolarHBondContact O-N 3.1Å; D157-G160 VanDerWaalsContact O-N 3.1Å; D157-G160 PolarHBondContact OD1-N 2.84Å; D157-G160 VanDerWaalsContact OD1-N 3.11Å
161I97.6Very high96.5Very high41 Ų4141.2 Ų41.221%0.2126%0.256CS..BIsolated β-bridgetrans-102.2135.3177-53.5-58.3000109.5S156 D157 A159 V163 K203S156-I161 CarbonylContact C-O 3.59Å; S156-I161 VanDerWaalsContact CA-O 3.24Å; S156-I161 WeakPolarHBondContact CA-O 3.26Å; D157-I161 PolarHBondContact N-O 2.87Å; D157-I161 PolarHBondContact OD1-N 3.49Å; A159-I161 VanDerWaalsContact C-N 3.31Å; A159-I161 HydrophobicContact CB-CG1 4.49Å; A159-I161 PolarHBondContact O-N 2.87Å; I161-V163 PolarHBondContact O-N 2.92Å; I161-K203 HydrophobicContact CG2-CB 4.04Å; I161-K203 HydrophobicContact CG2-CG 4.26Å
162M97.3Very high96.4Very high4 Ų444.6 Ų44.62%0.0227%0.269CS..BIsolated β-bridgetrans-62.7126.9178.4-165.6-174.172.400111.8F152 I155 H164 F167 F198 V204 F209F152-M162 HydrophobicContact CE2-CB 3.87Å; F152-M162 HydrophobicContact CE2-CG 4.37Å; F152-M162 HydrophobicContact CZ-CB 4.33Å; I155-M162 HydrophobicContact CD1-CG 3.93Å; I155-M162 HydrophobicContact CD1-SD 4.16Å; I155-M162 HydrophobicContact CG1-CG 4.18Å; M162-H164 PolarHBondContact O-N 2.82Å; M162-F167 HydrophobicContact CE-CB 3.82Å; M162-F167 HydrophobicContact CE-CD1 3.98Å; M162-F167 HydrophobicContact CE-CG 3.86Å; M162-F167 HydrophobicContact CG-CB 4.1Å; M162-F167 HydrophobicContact SD-CB 3.66Å; M162-F167 HydrophobicContact SD-CD1 4.28Å; M162-F167 HydrophobicContact SD-CD2 3.82Å; M162-F167 HydrophobicContact SD-CG 3.64Å; M162-F198 HydrophobicContact CE-CD2 3.68Å; M162-F198 HydrophobicContact CE-CE2 3.8Å; M162-F198 HydrophobicContact CE-CG 4.33Å; M162-F198 HydrophobicContact SD-CD2 4.35Å; M162-F198 HydrophobicContact SD-CE2 3.84Å; M162-F198 HydrophobicContact SD-CZ 4.31Å; M162-V204 HydrophobicContact CB-CB 3.9Å; M162-V204 HydrophobicContact CB-CG1 4.49Å; M162-V204 HydrophobicContact CE-CB 4.1Å; M162-V204 HydrophobicContact CE-CG2 3.85Å; M162-V204 PolarHBondContact N-O 3.21Å; M162-V204 HydrophobicContact SD-CB 4.39Å; M162-V204 HydrophobicContact SD-CG1 4.38Å; M162-F209 HydrophobicContact SD-CD2 3.83Å; M162-F209 HydrophobicContact SD-CE2 4.21Å
163V95.9Very high96.4Very high51 Ų5145 Ų4531%0.30927%0.271SS..  trans-83.2111.3171.6-173.50000108.6I155 D157 I161 S165 Q166 F167I155-V163 WeakPolarHBondContact O-CB 3.48Å; I155-V163 PolarHBondContact O-N 2.91Å; D157-V163 HydrophobicContact CB-CG2 3.93Å; I161-V163 PolarHBondContact O-N 2.92Å; V163-S165 WeakPolarHBondContact CG1-OG 3.42Å; V163-S165 PolarHBondContact O-N 2.98Å; V163-S165 VanDerWaalsContact O-N 3.13Å; V163-Q166 HydrophobicContact CB-CB 4.14Å; V163-Q166 HydrophobicContact CB-CG 3.83Å; V163-Q166 HydrophobicContact CG1-CG 4Å; V163-Q166 WeakPolarHBondContact O-CA 3.5Å; V163-Q166 WeakPolarHBondContact O-CB 3.33Å; V163-Q166 PolarHBondContact O-N 2.78Å; V163-F167 PolarHBondContact O-N 3.29Å
164H94.1Very high96.4Very high80 Ų8042.1 Ų42.137%0.3725%0.251SS..Hα-helixtrans-58.8-29.5-172.9-76.2-91.3000114.4M162 D168M162-H164 PolarHBondContact O-N 2.82Å; H164-D168 WeakPolarHBondContact O-CB 3.24Å; H164-D168 PolarHBondContact O-N 3.44Å
165S94.3Very high96.5Very high78 Ų7840.4 Ų40.455%0.54524%0.243SC..Hα-helixtrans-70.6-36173.156.90000112.8V163 D168 Q169V163-S165 WeakPolarHBondContact CG1-OG 3.42Å; V163-S165 PolarHBondContact O-N 2.98Å; V163-S165 VanDerWaalsContact O-N 3.13Å; S165-D168 PolarHBondContact O-N 3.35Å; S165-Q169 WeakPolarHBondContact O-CB 3.41Å; S165-Q169 PolarHBondContact O-N 3.35Å
166Q95.9Very high96.5Very high55 Ų5543 Ų4326%0.25725%0.254SS..Hα-helixtrans-70.6-34.6174.6-60.1-60.199.300111.2I155 V163 F170I155-Q166 HydrophobicContact CB-CB 3.67Å; I155-Q166 HydrophobicContact CG2-CB 3.92Å; I155-Q166 WeakPolarHBondContact CG2-O 3.42Å; V163-Q166 HydrophobicContact CB-CB 4.14Å; V163-Q166 HydrophobicContact CB-CG 3.83Å; V163-Q166 HydrophobicContact CG1-CG 4Å; V163-Q166 WeakPolarHBondContact O-CA 3.5Å; V163-Q166 WeakPolarHBondContact O-CB 3.33Å; V163-Q166 PolarHBondContact O-N 2.78Å; Q166-F170 WeakPolarHBondContact O-CB 3.35Å; Q166-F170 PolarHBondContact O-N 3.19Å
167F96.5Very high96.6Very high1 Ų141.5 Ų41.50%0.00424%0.243CC..Hα-helixtrans-67.6-40.7171.6179.9-112.6000112.7I155 M162 V163 F170 L171 A194 C197 F198 F209I155-F167 HydrophobicContact CD1-CB 4.14Å; I155-F167 HydrophobicContact CD1-CD2 3.85Å; I155-F167 HydrophobicContact CD1-CG 4.48Å; M162-F167 HydrophobicContact CE-CB 3.82Å; M162-F167 HydrophobicContact CE-CD1 3.98Å; M162-F167 HydrophobicContact CE-CG 3.86Å; M162-F167 HydrophobicContact CG-CB 4.1Å; M162-F167 HydrophobicContact SD-CB 3.66Å; M162-F167 HydrophobicContact SD-CD1 4.28Å; M162-F167 HydrophobicContact SD-CD2 3.82Å; M162-F167 HydrophobicContact SD-CG 3.64Å; V163-F167 PolarHBondContact O-N 3.29Å; F167-F170 AromaticContact CD2-CD1 3.91Å; F167-F170 HydrophobicContact CD2-CD1 3.91Å; F167-F170 AromaticContact CE2-CD1 3.91Å; F167-F170 HydrophobicContact CE2-CD1 3.91Å; F167-F170 HydrophobicContact CE2-CE1 4.22Å; F167-F170 WeakPolarHBondContact O-CB 3.41Å; F167-F170 PolarHBondContact O-N 3.09Å; F167-L171 HydrophobicContact CD1-CD1 4.15Å; F167-L171 HydrophobicContact CE1-CD1 3.46Å; F167-L171 VanDerWaalsContact CE1-CD1 3.46Å; F167-L171 HydrophobicContact CE1-CG 4.21Å; F167-L171 HydrophobicContact CE2-CD1 4.29Å; F167-L171 HydrophobicContact CE2-CG 4.2Å; F167-L171 HydrophobicContact CZ-CD1 3.53Å; F167-L171 HydrophobicContact CZ-CD2 4.36Å; F167-L171 HydrophobicContact CZ-CG 3.92Å; F167-L171 PolarHBondContact O-N 3.27Å; F167-A194 HydrophobicContact CD1-CB 4.24Å; F167-A194 HydrophobicContact CE1-CB 4.28Å; F167-C197 HydrophobicContact CE1-CB 3.9Å; F167-C197 HydrophobicContact CZ-CB 4Å; F167-F198 HydrophobicContact CD1-CD2 4.08Å; F167-F198 HydrophobicContact CD1-CE2 4.08Å; F167-F198 HydrophobicContact CD2-CE2 4.42Å; F167-F198 AromaticContact CE1-CD2 3.68Å; F167-F198 HydrophobicContact CE1-CD2 3.68Å; F167-F198 AromaticContact CE1-CE2 3.6Å; F167-F198 HydrophobicContact CE1-CE2 3.6Å; F167-F198 AromaticContact CE2-CE2 3.99Å; F167-F198 HydrophobicContact CE2-CE2 3.99Å; F167-F198 HydrophobicContact CG-CE2 4.47Å; F167-F198 HydrophobicContact CZ-CD2 4.11Å; F167-F198 AromaticContact CZ-CE2 3.56Å; F167-F198 HydrophobicContact CZ-CE2 3.56Å; F167-F209 HydrophobicContact CD2-CE2 4.03Å; F167-F209 AromaticContact CE2-CE2 3.91Å; F167-F209 HydrophobicContact CE2-CE2 3.91Å
168D95.9Very high96.7Very high31 Ų3138.2 Ų38.217%0.16623%0.226CC..Hα-helixtrans-62.6-44.3173.7-171.964000111.4H164 S165 F170 L171 R172 Y189 A194H164-D168 WeakPolarHBondContact O-CB 3.24Å; H164-D168 PolarHBondContact O-N 3.44Å; S165-D168 PolarHBondContact O-N 3.35Å; D168-F170 PolarHBondContact O-N 2.9Å; D168-L171 PolarHBondContact O-N 3.4Å; D168-L171 VanDerWaalsContact O-N 3.15Å; D168-R172 WeakPolarHBondContact O-CG 3.33Å; D168-R172 PolarHBondContact O-N 3.09Å; D168-R172 IonicContact OD1-NH2 2.63Å; D168-R172 IonicContact OD2-CZ 2.79Å; D168-R172 IonicContact OD2-NE 3.23Å; D168-R172 PolarHBondContact OD2-NE 2.92Å; D168-R172 IonicContact OD2-NH2 3.41Å; D168-R172 PolarHBondContact OD2-NH2 3.12Å; D168-Y189 WeakPolarHBondContact OD1-CE2 3.42Å; D168-Y189 PolarHBondContact OD1-OH 3.31Å; D168-Y189 PolarHBondContact OD2-OH 3.08Å; D168-A194 HydrophobicContact CB-CB 4Å; D168-A194 WeakPolarHBondContact OD1-CB 3.17Å
169Q96.5Very high96.8Very high69 Ų6935.4 Ų35.432%0.32220%0.198SC..Hα-helixtrans-63-40.8173.8-170.45928.600112F130 S165 L171 R172 E173F130-Q169 HydrophobicContact CD1-CG 4.11Å; F130-Q169 HydrophobicContact CE1-CB 4.22Å; F130-Q169 HydrophobicContact CE1-CG 3.7Å; F130-Q169 HydrophobicContact CZ-CB 4.34Å; F130-Q169 HydrophobicContact CZ-CG 4.22Å; S165-Q169 WeakPolarHBondContact O-CB 3.41Å; S165-Q169 PolarHBondContact O-N 3.35Å; Q169-L171 VanDerWaalsContact C-N 3.32Å; Q169-L171 PolarHBondContact O-N 2.91Å; Q169-R172 PolarHBondContact O-N 2.75Å; Q169-E173 PolarHBondContact NE2-OE1 2.89Å; Q169-E173 WeakPolarHBondContact O-CG 2.85Å; Q169-E173 PolarHBondContact O-N 3.26Å; Q169-E173 VanDerWaalsContact O-N 3.07Å
170F97.6Very high96.8Very high0 Ų032.2 Ų32.20%017%0.172CC..Hα-helixtrans-57.1-44.2171.2162.7-107.5000111.5F130 M134 I151 I155 Q166 F167 D168 E173 V174 L222F130-F170 HydrophobicContact CZ-CB 4.02Å; M134-F170 HydrophobicContact CB-CD2 4.19Å; M134-F170 HydrophobicContact CG-CD2 3.99Å; M134-F170 HydrophobicContact SD-CD2 3.6Å; M134-F170 VanDerWaalsContact SD-CD2 3.6Å; M134-F170 HydrophobicContact SD-CE2 4.22Å; M134-F170 HydrophobicContact SD-CG 4.46Å; I151-F170 HydrophobicContact CD1-CE2 4.03Å; I151-F170 HydrophobicContact CD1-CZ 4.23Å; I151-F170 HydrophobicContact CG1-CE2 4.36Å; I151-F170 HydrophobicContact CG2-CD1 4.41Å; I151-F170 HydrophobicContact CG2-CD2 3.87Å; I151-F170 HydrophobicContact CG2-CE1 4.21Å; I151-F170 HydrophobicContact CG2-CE2 3.65Å; I151-F170 HydrophobicContact CG2-CG 4.24Å; I151-F170 HydrophobicContact CG2-CZ 3.83Å; I155-F170 HydrophobicContact CG2-CB 4.11Å; Q166-F170 WeakPolarHBondContact O-CB 3.35Å; Q166-F170 PolarHBondContact O-N 3.19Å; F167-F170 AromaticContact CD2-CD1 3.91Å; F167-F170 HydrophobicContact CD2-CD1 3.91Å; F167-F170 AromaticContact CE2-CD1 3.91Å; F167-F170 HydrophobicContact CE2-CD1 3.91Å; F167-F170 HydrophobicContact CE2-CE1 4.22Å; F167-F170 WeakPolarHBondContact O-CB 3.41Å; F167-F170 PolarHBondContact O-N 3.09Å; D168-F170 PolarHBondContact O-N 2.9Å; F170-E173 PolarHBondContact O-N 2.93Å; F170-V174 HydrophobicContact CD2-CB 4.19Å; F170-V174 HydrophobicContact CE1-CG1 4.15Å; F170-V174 HydrophobicContact CE2-CB 3.73Å; F170-V174 HydrophobicContact CE2-CG1 4.09Å; F170-V174 HydrophobicContact CE2-CG2 3.91Å; F170-V174 HydrophobicContact CZ-CB 4Å; F170-V174 HydrophobicContact CZ-CG1 3.89Å; F170-V174 HydrophobicContact CZ-CG2 4.04Å; F170-V174 WeakPolarHBondContact O-CB 3.29Å; F170-V174 WeakPolarHBondContact O-CG1 3.46Å; F170-V174 PolarHBondContact O-N 3Å; F170-L222 HydrophobicContact CE1-CD1 4.36Å
171L97.7Very high96.9Very high0 Ų030.6 Ų30.60%016%0.156CC..Hα-helixtrans-66.1-40.2176.9-78.1176.1000112.9F167 D168 Q169 E173 V174 L175 Y189 A194 L222F167-L171 HydrophobicContact CD1-CD1 4.15Å; F167-L171 HydrophobicContact CE1-CD1 3.46Å; F167-L171 VanDerWaalsContact CE1-CD1 3.46Å; F167-L171 HydrophobicContact CE1-CG 4.21Å; F167-L171 HydrophobicContact CE2-CD1 4.29Å; F167-L171 HydrophobicContact CE2-CG 4.2Å; F167-L171 HydrophobicContact CZ-CD1 3.53Å; F167-L171 HydrophobicContact CZ-CD2 4.36Å; F167-L171 HydrophobicContact CZ-CG 3.92Å; F167-L171 PolarHBondContact O-N 3.27Å; D168-L171 PolarHBondContact O-N 3.4Å; D168-L171 VanDerWaalsContact O-N 3.15Å; Q169-L171 VanDerWaalsContact C-N 3.32Å; Q169-L171 PolarHBondContact O-N 2.91Å; L171-E173 PolarHBondContact O-N 3.11Å; L171-V174 HydrophobicContact CD2-CG1 4.27Å; L171-L175 WeakPolarHBondContact O-CB 3.43Å; L171-L175 WeakPolarHBondContact O-CD1 3.32Å; L171-L175 WeakPolarHBondContact O-CG 3.49Å; L171-L175 PolarHBondContact O-N 3.27Å; L171-Y189 HydrophobicContact CB-CD2 4.13Å; L171-Y189 HydrophobicContact CB-CE2 4.17Å; L171-A194 VanDerWaalsContact CD1-CA 3.41Å; L171-A194 HydrophobicContact CD1-CB 3.7Å; L171-L222 HydrophobicContact CD2-CD1 3.9Å; L171-L222 HydrophobicContact CD2-CD2 3.88Å; L171-L222 HydrophobicContact CD2-CG 3.88Å
172R96.8Very high96.8Very high72 Ų7234.3 Ų34.327%0.27217%0.17SC..Hα-helixtrans-59.1-35.7174.5-69.7177-163.8-92.1-0.2112D168 Q169 Y189 E191D168-R172 WeakPolarHBondContact O-CG 3.33Å; D168-R172 PolarHBondContact O-N 3.09Å; D168-R172 IonicContact OD1-NH2 2.63Å; D168-R172 IonicContact OD2-CZ 2.79Å; D168-R172 IonicContact OD2-NE 3.23Å; D168-R172 PolarHBondContact OD2-NE 2.92Å; D168-R172 IonicContact OD2-NH2 3.41Å; D168-R172 PolarHBondContact OD2-NH2 3.12Å; Q169-R172 PolarHBondContact O-N 2.75Å; R172-Y189 HydrophobicContact CB-CD2 4.24Å; R172-Y189 HydrophobicContact CG-CD1 4.03Å; R172-Y189 HydrophobicContact CG-CD2 3.56Å; R172-Y189 HydrophobicContact CG-CE1 3.98Å; R172-Y189 HydrophobicContact CG-CE2 3.46Å; R172-Y189 VanDerWaalsContact CG-CE2 3.46Å; R172-Y189 HydrophobicContact CG-CG 3.86Å; R172-Y189 VanDerWaalsContact CZ-CZ 3.49Å; R172-Y189 VanDerWaalsContact CZ-OH 3.26Å; R172-Y189 VanDerWaalsContact NH1-CE1 3.29Å; R172-Y189 PolarHBondContact NH2-OH 3.3Å; R172-E191 IonicContact CZ-OE1 2.75Å; R172-E191 VanDerWaalsContact CZ-OE1 3.23Å; R172-E191 IonicContact NH1-OE1 2.96Å; R172-E191 PolarHBondContact NH1-OE1 3.14Å; R172-E191 IonicContact NH2-OE1 2.79Å; R172-E191 PolarHBondContact NH2-OE1 2.95Å; R172-E191 IonicContact NH2-OE2 3.36Å; R172-E191 PolarHBondContact NH2-OE2 3.36Å
173E97.3Very high96.8Very high16 Ų1634.3 Ų34.38%0.07517%0.171CC..Hα-helixtrans-90.5-39.5-176.9-60.8-53.5140.200114Y119 F130 V131 Q169 F170 L171 L175 K176Y119-E173 WeakPolarHBondContact CD1-OE2 3.31Å; Y119-E173 HydrophobicContact CE1-CB 4.22Å; Y119-E173 WeakPolarHBondContact CE1-O 3.5Å; Y119-E173 WeakPolarHBondContact CE1-OE2 3.37Å; Y119-E173 PolarHBondContact OH-O 3.35Å; F130-E173 HydrophobicContact CD1-CG 4.3Å; F130-E173 HydrophobicContact CE1-CG 4.25Å; V131-E173 HydrophobicContact CG2-CB 4.28Å; V131-E173 HydrophobicContact CG2-CG 3.7Å; V131-E173 VanDerWaalsContact CG2-OE2 3.29Å; V131-E173 WeakPolarHBondContact CG2-OE2 3.49Å; Q169-E173 PolarHBondContact NE2-OE1 2.89Å; Q169-E173 WeakPolarHBondContact O-CG 2.85Å; Q169-E173 PolarHBondContact O-N 3.26Å; Q169-E173 VanDerWaalsContact O-N 3.07Å; F170-E173 PolarHBondContact O-N 2.93Å; L171-E173 PolarHBondContact O-N 3.11Å; E173-L175 VanDerWaalsContact C-N 3.33Å; E173-L175 PolarHBondContact O-N 3.17Å; E173-K176 WeakPolarHBondContact O-CB 3.27Å; E173-K176 PolarHBondContact O-N 2.85Å; E173-K176 IonicContact OE1-NZ 2.7Å; E173-K176 PolarHBondContact OE1-NZ 3.48Å; E173-K176 WeakPolarHBondContact OE2-CD 3.33Å; E173-K176 WeakPolarHBondContact OE2-CE 3.34Å; E173-K176 IonicContact OE2-NZ 3.75Å; E173-K176 PolarHBondContact OE2-NZ 3.44Å
174V98.1Very high96.7Very high0 Ų033 Ų330%017%0.167CC..Hα-helixtrans-69.9-30.9-18077.90000112.1S138 F170 L171 K176 L177 P178 L222 W224S138-V174 WeakPolarHBondContact OG-CG2 3.22Å; F170-V174 HydrophobicContact CD2-CB 4.19Å; F170-V174 HydrophobicContact CE1-CG1 4.15Å; F170-V174 HydrophobicContact CE2-CB 3.73Å; F170-V174 HydrophobicContact CE2-CG1 4.09Å; F170-V174 HydrophobicContact CE2-CG2 3.91Å; F170-V174 HydrophobicContact CZ-CB 4Å; F170-V174 HydrophobicContact CZ-CG1 3.89Å; F170-V174 HydrophobicContact CZ-CG2 4.04Å; F170-V174 WeakPolarHBondContact O-CB 3.29Å; F170-V174 WeakPolarHBondContact O-CG1 3.46Å; F170-V174 PolarHBondContact O-N 3Å; L171-V174 HydrophobicContact CD2-CG1 4.27Å; V174-K176 PolarHBondContact O-N 2.82Å; V174-L177 HydrophobicContact CG2-CD1 4.09Å; V174-L177 WeakPolarHBondContact O-CB 3.33Å; V174-L177 PolarHBondContact O-N 3.33Å; V174-P178 WeakPolarHBondContact O-CD 3.47Å; V174-L222 HydrophobicContact CG1-CD2 3.79Å; V174-W224 HydrophobicContact CG2-CH2 4.01Å; V174-W224 HydrophobicContact CG2-CZ2 4.12Å
175L98Very high96.8Very high0 Ų035.5 Ų35.50%019%0.19CC..THydrogen-bonded Turntrans-74.7-12.1178.1-63176.6000113.2L171 E173 L177 P178 M179 Y189 C221 L222L171-L175 WeakPolarHBondContact O-CB 3.43Å; L171-L175 WeakPolarHBondContact O-CD1 3.32Å; L171-L175 WeakPolarHBondContact O-CG 3.49Å; L171-L175 PolarHBondContact O-N 3.27Å; E173-L175 VanDerWaalsContact C-N 3.33Å; E173-L175 PolarHBondContact O-N 3.17Å; L175-L177 PolarHBondContact O-N 3.42Å; L175-P178 WeakPolarHBondContact O-CD 3.43Å; L175-M179 WeakPolarHBondContact O-CG 3.24Å; L175-M179 PolarHBondContact O-N 3.49Å; L175-Y189 HydrophobicContact CD1-CD2 4.31Å; L175-C221 HydrophobicContact CD1-CB 4.23Å; L175-C221 HydrophobicContact CD2-CB 4.35Å; L175-C221 WeakPolarHBondContact CD2-O 3.34Å; L175-L222 HydrophobicContact CD2-CD2 4.4Å
176K98.1Very high96.8Very high56 Ų5634.4 Ų34.424%0.24318%0.183CC..Hα-helixtrans-64.8-23.5167.6-67.7173.2-172.9172.80112.4Y119 E173 V174 M179 A180Y119-K176 HydrophobicContact CD1-CB 4.24Å; Y119-K176 HydrophobicContact CD1-CD 3.55Å; Y119-K176 HydrophobicContact CE1-CB 3.75Å; Y119-K176 HydrophobicContact CE1-CD 3.63Å; Y119-K176 HydrophobicContact CE1-CG 4.26Å; E173-K176 WeakPolarHBondContact O-CB 3.27Å; E173-K176 PolarHBondContact O-N 2.85Å; E173-K176 IonicContact OE1-NZ 2.7Å; E173-K176 PolarHBondContact OE1-NZ 3.48Å; E173-K176 WeakPolarHBondContact OE2-CD 3.33Å; E173-K176 WeakPolarHBondContact OE2-CE 3.34Å; E173-K176 IonicContact OE2-NZ 3.75Å; E173-K176 PolarHBondContact OE2-NZ 3.44Å; V174-K176 PolarHBondContact O-N 2.82Å; K176-M179 HydrophobicContact CB-CE 4.22Å; K176-M179 HydrophobicContact CG-CE 3.63Å; K176-M179 PolarHBondContact O-N 3.13Å; K176-A180 VanDerWaalsContact O-CB 3.32Å; K176-A180 WeakPolarHBondContact O-CB 3.49Å; K176-A180 PolarHBondContact O-N 2.89Å
177L98.2Very high96.9Very high0 Ų032.1 Ų32.10%017%0.172CC..Hα-helixtrans-66.4-53.1177.3-59.4165000111.9L41 F114 Y119 I139 V174 L175 M179 A180 V181 W224L41-L177 HydrophobicContact CD2-CB 4.23Å; F114-L177 HydrophobicContact CE1-CD2 3.77Å; F114-L177 HydrophobicContact CZ-CD2 4.14Å; Y119-L177 HydrophobicContact CE2-CD2 4.06Å; Y119-L177 WeakPolarHBondContact OH-CG 3.39Å; I139-L177 HydrophobicContact CG2-CD1 3.8Å; I139-L177 HydrophobicContact CG2-CD2 4.2Å; V174-L177 HydrophobicContact CG2-CD1 4.09Å; V174-L177 WeakPolarHBondContact O-CB 3.33Å; V174-L177 PolarHBondContact O-N 3.33Å; L175-L177 PolarHBondContact O-N 3.42Å; L177-M179 VanDerWaalsContact C-N 3.33Å; L177-M179 PolarHBondContact O-N 3.03Å; L177-A180 PolarHBondContact O-N 3.13Å; L177-V181 PolarHBondContact O-N 3.4Å; L177-W224 HydrophobicContact CD1-CH2 4.37Å
178P98.1Very high96.7Very high0 Ų033.2 Ų33.20%018%0.183CC..Hα-helixtrans-53.5-42.3165.6-2932.6000114.7T37 L41 V174 L175 A180 V181 F182 E183 F187 W224T37-P178 HydrophobicContact CG2-CB 3.86Å; T37-P178 HydrophobicContact CG2-CG 4.02Å; L41-P178 HydrophobicContact CD1-CG 4.34Å; V174-P178 WeakPolarHBondContact O-CD 3.47Å; L175-P178 WeakPolarHBondContact O-CD 3.43Å; P178-A180 VanDerWaalsContact C-N 3.34Å; P178-A180 PolarHBondContact O-N 2.96Å; P178-V181 VanDerWaalsContact O-CG2 3.31Å; P178-V181 WeakPolarHBondContact O-CG2 3.42Å; P178-V181 PolarHBondContact O-N 3.06Å; P178-F182 PolarHBondContact O-N 3.46Å; P178-E183 HydrophobicContact CB-CB 4.27Å; P178-E183 WeakPolarHBondContact O-CB 3.19Å; P178-E183 PolarHBondContact O-N 2.87Å; P178-F187 HydrophobicContact CB-CB 3.63Å; P178-F187 HydrophobicContact CG-CB 3.95Å; P178-W224 HydrophobicContact CG-CD2 4.06Å; P178-W224 HydrophobicContact CG-CG 4.42Å; P178-W224 HydrophobicContact CG-CH2 4.5Å; P178-W224 HydrophobicContact CG-CZ2 3.78Å
179M97.1Very high96.7Very high78 Ų7833.9 Ų33.938%0.38418%0.184SC..Hα-helixtrans-62.2-40.8179.3-67.7-168.1-67.500112L175 K176 L177 V181 F182L175-M179 WeakPolarHBondContact O-CG 3.24Å; L175-M179 PolarHBondContact O-N 3.49Å; K176-M179 HydrophobicContact CB-CE 4.22Å; K176-M179 HydrophobicContact CG-CE 3.63Å; K176-M179 PolarHBondContact O-N 3.13Å; L177-M179 VanDerWaalsContact C-N 3.33Å; L177-M179 PolarHBondContact O-N 3.03Å; M179-V181 PolarHBondContact O-N 3.49Å; M179-F182 WeakPolarHBondContact O-CA 3.43Å; M179-F182 PolarHBondContact O-N 3.41Å
180A96.5Very high96.5Very high11 Ų1134.4 Ų34.49%0.09119%0.192CC..Hα-helixtrans-65.9-18.3177.800000114.2Y19 F114 A118 K176 L177 P178Y19-A180 WeakPolarHBondContact CE1-O 3.41Å; Y19-A180 PolarHBondContact OH-O 3.16Å; Y19-A180 VanDerWaalsContact OH-O 3.1Å; F114-A180 HydrophobicContact CE2-CB 3.98Å; F114-A180 HydrophobicContact CZ-CB 4.39Å; A118-A180 HydrophobicContact CB-CB 3.63Å; K176-A180 VanDerWaalsContact O-CB 3.32Å; K176-A180 WeakPolarHBondContact O-CB 3.49Å; K176-A180 PolarHBondContact O-N 2.89Å; L177-A180 PolarHBondContact O-N 3.13Å; P178-A180 VanDerWaalsContact C-N 3.34Å; P178-A180 PolarHBondContact O-N 2.96Å
181V96.6Very high95.9Very high0 Ų039.3 Ų39.30%022%0.215CC..THydrogen-bonded Turntrans-103.119.4171.1-58.90000113.2M22 K40 L41 V44 F114 L177 P178 M179 E183M22-V181 HydrophobicContact CE-CB 4.13Å; M22-V181 HydrophobicContact CE-CG1 4.33Å; M22-V181 HydrophobicContact SD-CB 4.39Å; M22-V181 HydrophobicContact SD-CG1 4.23Å; K40-V181 HydrophobicContact CB-CB 3.98Å; K40-V181 HydrophobicContact CB-CG1 4.36Å; K40-V181 HydrophobicContact CB-CG2 3.94Å; K40-V181 HydrophobicContact CD-CB 4.13Å; K40-V181 HydrophobicContact CD-CG2 4.2Å; K40-V181 WeakPolarHBondContact CD-O 3.21Å; K40-V181 PolarHBondContact NZ-O 2.8Å; K40-V181 VanDerWaalsContact NZ-O 3.08Å; L41-V181 HydrophobicContact CD2-CG1 3.89Å; L41-V181 HydrophobicContact CD2-CG2 4.07Å; L41-V181 HydrophobicContact CG-CG2 4.15Å; V44-V181 HydrophobicContact CG2-CG1 4.23Å; F114-V181 HydrophobicContact CE2-CG1 3.92Å; F114-V181 HydrophobicContact CZ-CG1 4.38Å; L177-V181 PolarHBondContact O-N 3.4Å; P178-V181 VanDerWaalsContact O-CG2 3.31Å; P178-V181 WeakPolarHBondContact O-CG2 3.42Å; P178-V181 PolarHBondContact O-N 3.06Å; M179-V181 PolarHBondContact O-N 3.49Å; V181-E183 HydrophobicContact CG2-CG 4.12Å
182F96.2Very high95.5Very high118 Ų11846.8 Ų46.852%0.51825%0.25SC..THydrogen-bonded Turntrans70.221.4176.9-45.8-73.5000115.8Y19 P178 M179Y19-F182 AromaticContact CD1-CE2 3.78Å; Y19-F182 HydrophobicContact CD1-CE2 3.78Å; Y19-F182 HydrophobicContact CD1-CZ 4.25Å; Y19-F182 HydrophobicContact CE1-CE2 4.11Å; Y19-F182 HydrophobicContact CE1-CZ 4.4Å; P178-F182 PolarHBondContact O-N 3.46Å; M179-F182 WeakPolarHBondContact O-CA 3.43Å; M179-F182 PolarHBondContact O-N 3.41Å
183E97.6Very high95.1Very high5 Ų543.8 Ų43.82%0.02324%0.24CC..  trans-99.511.7-179.9-61.7-64.9153.600113.9R36 T37 K40 P178 V181 P185 S186 F187R36-E183 VanDerWaalsContact CD-OE1 3.29Å; R36-E183 WeakPolarHBondContact CD-OE1 3.32Å; R36-E183 WeakPolarHBondContact CG-OE1 3.06Å; R36-E183 IonicContact CZ-OE1 3.52Å; R36-E183 IonicContact CZ-OE2 3.83Å; R36-E183 VanDerWaalsContact NE-CD 3.27Å; R36-E183 IonicContact NE-OE1 3.46Å; R36-E183 PolarHBondContact NE-OE1 2.8Å; R36-E183 IonicContact NE-OE2 2.77Å; R36-E183 PolarHBondContact NE-OE2 3.02Å; R36-E183 IonicContact NH2-OE1 3.53Å; R36-E183 IonicContact NH2-OE2 3.91Å; R36-E183 PolarHBondContact NH2-OE2 2.87Å; T37-E183 HydrophobicContact CG2-CB 4.11Å; T37-E183 HydrophobicContact CG2-CG 4.19Å; T37-E183 WeakPolarHBondContact OG1-CB 3.45Å; T37-E183 VanDerWaalsContact OG1-CG 3.26Å; T37-E183 WeakPolarHBondContact OG1-CG 3.42Å; K40-E183 HydrophobicContact CD-CG 4.14Å; K40-E183 WeakPolarHBondContact CE-OE1 3.39Å; K40-E183 IonicContact NZ-OE1 2.81Å; K40-E183 PolarHBondContact NZ-OE1 3.19Å; P178-E183 HydrophobicContact CB-CB 4.27Å; P178-E183 WeakPolarHBondContact O-CB 3.19Å; P178-E183 PolarHBondContact O-N 2.87Å; V181-E183 HydrophobicContact CG2-CG 4.12Å; E183-P185 VanDerWaalsContact C-CD 3.44Å; E183-P185 VanDerWaalsContact C-N 3.34Å; E183-S186 PolarHBondContact O-N 3.16Å; E183-F187 HydrophobicContact CB-CD2 4.4Å; E183-F187 PolarHBondContact O-N 3.45Å
184G94.8Very high94.7Very high22 Ų2243.4 Ų43.423%0.22724%0.24CC..Hα-helixtrans-52-37178.800000116.2S186 F187 G188G184-S186 PolarHBondContact O-N 2.87Å; G184-S186 VanDerWaalsContact O-N 3.16Å; G184-F187 PolarHBondContact O-N 2.85Å; G184-G188 WeakPolarHBondContact O-CA 3.28Å; G184-G188 PolarHBondContact O-N 3.22Å
185P95Very high94.1Very high134 Ų13451.9 Ų51.987%0.8727%0.272SS*.Hα-helixtrans-64-15.3173.5-24.935.9000114.9E183E183-P185 VanDerWaalsContact C-CD 3.44Å; E183-P185 VanDerWaalsContact C-N 3.34Å
186S95.6Very high93.8Very high55 Ų5555.1 Ų55.139%0.38530%0.298SS..Hα-helixtrans-107.1-33.6175.1-64.70000113.5S33 E183 G184S33-S186 VanDerWaalsContact CB-OG 3.23Å; S33-S186 WeakPolarHBondContact CB-OG 3.4Å; E183-S186 PolarHBondContact O-N 3.16Å; G184-S186 PolarHBondContact O-N 2.87Å; G184-S186 VanDerWaalsContact O-N 3.16Å
187F95.9Very high93.5Very high6 Ų653.1 Ų53.13%0.02629%0.292CS..Hα-helixtrans-134.335.5-172-60.7-74.4000113.5T34 T37 P178 E183 G184 Q220 V223 W224T34-F187 HydrophobicContact CG2-CZ 4.21Å; T37-F187 HydrophobicContact CG2-CD2 3.97Å; T37-F187 HydrophobicContact CG2-CE2 4.38Å; T37-F187 WeakPolarHBondContact OG1-CD2 3.37Å; T37-F187 WeakPolarHBondContact OG1-CE2 3.15Å; P178-F187 HydrophobicContact CB-CB 3.63Å; P178-F187 HydrophobicContact CG-CB 3.95Å; E183-F187 HydrophobicContact CB-CD2 4.4Å; E183-F187 PolarHBondContact O-N 3.45Å; G184-F187 PolarHBondContact O-N 2.85Å; F187-Q220 VanDerWaalsContact CE1-O 3.32Å; F187-Q220 WeakPolarHBondContact CE1-O 3.29Å; F187-V223 HydrophobicContact CE1-CG1 4.07Å; F187-W224 AromaticContact CD1-CD1 3.64Å; F187-W224 AromaticContact CG-CD1 3.9Å
188G93.3Very high93.2Very high24 Ų2453.6 Ų53.625%0.24729%0.294CS..  trans-72.5156.3169.200000112.8G184G184-G188 WeakPolarHBondContact O-CA 3.28Å; G184-G188 PolarHBondContact O-N 3.22Å
189Y95.9Very high92.3Very high45 Ų4558.9 Ų58.918%0.17633%0.326CS..  trans-68143.7172.2174.4-87.5000111.6D168 L171 R172 L175 E191D168-Y189 WeakPolarHBondContact OD1-CE2 3.42Å; D168-Y189 PolarHBondContact OD1-OH 3.31Å; D168-Y189 PolarHBondContact OD2-OH 3.08Å; L171-Y189 HydrophobicContact CB-CD2 4.13Å; L171-Y189 HydrophobicContact CB-CE2 4.17Å; R172-Y189 HydrophobicContact CB-CD2 4.24Å; R172-Y189 HydrophobicContact CG-CD1 4.03Å; R172-Y189 HydrophobicContact CG-CD2 3.56Å; R172-Y189 HydrophobicContact CG-CE1 3.98Å; R172-Y189 HydrophobicContact CG-CE2 3.46Å; R172-Y189 VanDerWaalsContact CG-CE2 3.46Å; R172-Y189 HydrophobicContact CG-CG 3.86Å; R172-Y189 VanDerWaalsContact CZ-CZ 3.49Å; R172-Y189 VanDerWaalsContact CZ-OH 3.26Å; R172-Y189 VanDerWaalsContact NH1-CE1 3.29Å; R172-Y189 PolarHBondContact NH2-OH 3.3Å; L175-Y189 HydrophobicContact CD1-CD2 4.31Å; Y189-E191 WeakPolarHBondContact OH-CA 3.35Å
190T92.4Very high91.4Very high80 Ų8063.9 Ų63.949%0.49135%0.348SS..  trans-138.8148167.764.20000110.5Q192 A193T190-Q192 PolarHBondContact O-N 3.46Å; T190-A193 VanDerWaalsContact O-CB 3.32Å; T190-A193 WeakPolarHBondContact O-CB 3.49Å; T190-A193 PolarHBondContact O-N 3Å; T190-A193 PolarHBondContact OG1-N 3.43Å
191E85.9Confident90.7Very high103 Ų10366.3 Ų66.348%0.48136%0.358SS..THydrogen-bonded Turntrans-56.4-17178.4-68.1-67.413300114.5R172 Y189R172-E191 IonicContact CZ-OE1 2.75Å; R172-E191 VanDerWaalsContact CZ-OE1 3.23Å; R172-E191 IonicContact NH1-OE1 2.96Å; R172-E191 PolarHBondContact NH1-OE1 3.14Å; R172-E191 IonicContact NH2-OE1 2.79Å; R172-E191 PolarHBondContact NH2-OE1 2.95Å; R172-E191 IonicContact NH2-OE2 3.36Å; R172-E191 PolarHBondContact NH2-OE2 3.36Å; Y189-E191 WeakPolarHBondContact OH-CA 3.35Å
192Q87.5Confident90.1Very high157 Ų15775.9 Ų75.973%0.73440%0.4SS*.THydrogen-bonded Turntrans-91.2-22.7176.6-63.1-174.84.100112.9T190 A194 R195 A196T190-Q192 PolarHBondContact O-N 3.46Å; Q192-A194 PolarHBondContact O-N 3.1Å; Q192-R195 PolarHBondContact O-N 3.16Å; Q192-R195 VanDerWaalsContact O-N 3.16Å; Q192-A196 WeakPolarHBondContact O-CB 3.3Å; Q192-A196 PolarHBondContact O-N 3.4Å
193A89.4Confident89.8Confident9 Ų977.8 Ų77.87%0.07441%0.408CS..Hα-helixtrans-58.8-48.6-173.300000112.7T190 R195 A196 C197 C221T190-A193 VanDerWaalsContact O-CB 3.32Å; T190-A193 WeakPolarHBondContact O-CB 3.49Å; T190-A193 PolarHBondContact O-N 3Å; T190-A193 PolarHBondContact OG1-N 3.43Å; A193-R195 VanDerWaalsContact C-N 3.27Å; A193-R195 PolarHBondContact O-N 2.94Å; A193-A196 PolarHBondContact O-N 3.26Å; A193-C197 PolarHBondContact O-N 3.08Å; A193-C197 PolarHBondContact O-SG 3.33Å; A193-C197 VanDerWaalsContact O-SG 3.4Å; A193-C221 HydrophobicContact CB-CB 4.34Å
194A88.7Confident89.8Confident8 Ų877.6 Ų77.67%0.06641%0.407CS..Hα-helixtrans-63.2-32.7179.400000113.4F167 D168 L171 Q192F167-A194 HydrophobicContact CD1-CB 4.24Å; F167-A194 HydrophobicContact CE1-CB 4.28Å; D168-A194 HydrophobicContact CB-CB 4Å; D168-A194 WeakPolarHBondContact OD1-CB 3.17Å; L171-A194 VanDerWaalsContact CD1-CA 3.41Å; L171-A194 HydrophobicContact CD1-CB 3.7Å; Q192-A194 PolarHBondContact O-N 3.1Å
195R86Confident89.9Confident179 Ų17978.6 Ų78.668%0.67541%0.41SS*.Hα-helixtrans-77.5-36.9177.5-54.7-177.1-164.5-175.24.9111.1Q192 A193 C197 F198 T199Q192-R195 PolarHBondContact O-N 3.16Å; Q192-R195 VanDerWaalsContact O-N 3.16Å; A193-R195 VanDerWaalsContact C-N 3.27Å; A193-R195 PolarHBondContact O-N 2.94Å; R195-C197 VanDerWaalsContact C-N 3.33Å; R195-C197 PolarHBondContact O-N 3.08Å; R195-F198 PolarHBondContact O-N 2.84Å; R195-T199 WeakPolarHBondContact O-CA 3.32Å; R195-T199 WeakPolarHBondContact O-CG2 3.49Å; R195-T199 PolarHBondContact O-N 3.01Å; R195-T199 VanDerWaalsContact O-N 3.08Å
196A90.4Very high90Very high67 Ų6774.9 Ų74.955%0.55438%0.383SS*.Hα-helixtrans-61.7-37179.100000112.7Q192 A193 F198Q192-A196 WeakPolarHBondContact O-CB 3.3Å; Q192-A196 PolarHBondContact O-N 3.4Å; A193-A196 PolarHBondContact O-N 3.26Å; A196-F198 VanDerWaalsContact C-N 3.33Å; A196-F198 PolarHBondContact O-N 3.14Å
197C91.8Very high90.1Very high15 Ų1577.4 Ų77.410%0.10139%0.392CS..Hα-helixtrans-59.8-38.9176.6-64.60000113.4F167 A193 R195 T212F167-C197 HydrophobicContact CE1-CB 3.9Å; F167-C197 HydrophobicContact CZ-CB 4Å; A193-C197 PolarHBondContact O-N 3.08Å; A193-C197 PolarHBondContact O-SG 3.33Å; A193-C197 VanDerWaalsContact O-SG 3.4Å; R195-C197 VanDerWaalsContact C-N 3.33Å; R195-C197 PolarHBondContact O-N 3.08Å; C197-T212 VanDerWaalsContact O-CG2 3.31Å; C197-T212 WeakPolarHBondContact O-CG2 3.33Å
198F91.6Very high90.1Very high9 Ų979.1 Ų79.14%0.03940%0.403CS..THydrogen-bonded Turntrans-130.531.5-167.1-64.3-69.2000113.6M162 F167 R195 A196 Q200 Q201 V204 F209 T212 L213M162-F198 HydrophobicContact CE-CD2 3.68Å; M162-F198 HydrophobicContact CE-CE2 3.8Å; M162-F198 HydrophobicContact CE-CG 4.33Å; M162-F198 HydrophobicContact SD-CD2 4.35Å; M162-F198 HydrophobicContact SD-CE2 3.84Å; M162-F198 HydrophobicContact SD-CZ 4.31Å; F167-F198 HydrophobicContact CD1-CD2 4.08Å; F167-F198 HydrophobicContact CD1-CE2 4.08Å; F167-F198 HydrophobicContact CD2-CE2 4.42Å; F167-F198 AromaticContact CE1-CD2 3.68Å; F167-F198 HydrophobicContact CE1-CD2 3.68Å; F167-F198 AromaticContact CE1-CE2 3.6Å; F167-F198 HydrophobicContact CE1-CE2 3.6Å; F167-F198 AromaticContact CE2-CE2 3.99Å; F167-F198 HydrophobicContact CE2-CE2 3.99Å; F167-F198 HydrophobicContact CG-CE2 4.47Å; F167-F198 HydrophobicContact CZ-CD2 4.11Å; F167-F198 AromaticContact CZ-CE2 3.56Å; F167-F198 HydrophobicContact CZ-CE2 3.56Å; R195-F198 PolarHBondContact O-N 2.84Å; A196-F198 VanDerWaalsContact C-N 3.33Å; A196-F198 PolarHBondContact O-N 3.14Å; F198-Q200 PolarHBondContact O-N 2.81Å; F198-Q201 PolarHBondContact O-N 3.23Å; F198-V204 HydrophobicContact CB-CG2 4.14Å; F198-V204 HydrophobicContact CD1-CB 4.46Å; F198-V204 HydrophobicContact CD1-CG1 3.91Å; F198-V204 HydrophobicContact CD1-CG2 3.65Å; F198-V204 HydrophobicContact CD2-CG2 4.47Å; F198-V204 HydrophobicContact CE1-CB 4.48Å; F198-V204 HydrophobicContact CE1-CG1 3.51Å; F198-V204 HydrophobicContact CE1-CG2 4.13Å; F198-V204 HydrophobicContact CG-CG2 3.84Å; F198-V204 HydrophobicContact CZ-CG1 3.96Å; F198-F209 HydrophobicContact CE2-CD2 4.27Å; F198-F209 AromaticContact CZ-CD2 3.76Å; F198-F209 HydrophobicContact CZ-CD2 3.76Å; F198-F209 HydrophobicContact CZ-CG 4.5Å; F198-T212 HydrophobicContact CD1-CG2 4.06Å; F198-T212 HydrophobicContact CE1-CG2 3.59Å; F198-T212 HydrophobicContact CZ-CG2 4.06Å; F198-L213 HydrophobicContact CE2-CD1 4.45Å; F198-L213 HydrophobicContact CZ-CD1 3.87Å
199T80.6Confident90.3Very high111 Ų11178 Ų7868%0.68139%0.391SS*.THydrogen-bonded Turntrans-47.3-36-171.4520000116R195R195-T199 WeakPolarHBondContact O-CA 3.32Å; R195-T199 WeakPolarHBondContact O-CG2 3.49Å; R195-T199 PolarHBondContact O-N 3.01Å; R195-T199 VanDerWaalsContact O-N 3.08Å
200Q77.3Confident90.4Very high183 Ų18376.4 Ų76.486%0.85539%0.386SS*.THydrogen-bonded Turntrans-98-8.2-175.8-59.1-175.87.500113.9F198F198-Q200 PolarHBondContact O-N 2.81Å
201Q83.1Confident90.5Very high62 Ų6277.7 Ų77.729%0.2939%0.39SS..  trans-109.7109.5-165.6-62.4176.414.500111.7F198 K203 V204 T208F198-Q201 PolarHBondContact O-N 3.23Å; Q201-K203 VanDerWaalsContact C-N 3.34Å; Q201-V204 HydrophobicContact CB-CG2 4.03Å; Q201-T208 VanDerWaalsContact CD-CG2 3.49Å
202K82.1Confident91Very high202 Ų20274 Ų7488%0.87837%0.374SS*.SBendtrans-80.1-13.1177.2-65.4-174.3179.5-179.40114.6
203K91.8Very high91.4Very high158 Ų15866.8 Ų66.869%0.68734%0.34SS*.SBendtrans-144.6123.7173.3-69.2-169.6176.3-169.20106.7I161 Q201I161-K203 HydrophobicContact CG2-CB 4.04Å; I161-K203 HydrophobicContact CG2-CG 4.26Å; Q201-K203 VanDerWaalsContact C-N 3.34Å
204V96.5Very high91.7Very high0 Ų069.8 Ų69.80%035%0.354CS..  trans-110.1117.9178.8-173.60000107.8M162 F198 Q201 F209M162-V204 HydrophobicContact CB-CB 3.9Å; M162-V204 HydrophobicContact CB-CG1 4.49Å; M162-V204 HydrophobicContact CE-CB 4.1Å; M162-V204 HydrophobicContact CE-CG2 3.85Å; M162-V204 PolarHBondContact N-O 3.21Å; M162-V204 HydrophobicContact SD-CB 4.39Å; M162-V204 HydrophobicContact SD-CG1 4.38Å; F198-V204 HydrophobicContact CB-CG2 4.14Å; F198-V204 HydrophobicContact CD1-CB 4.46Å; F198-V204 HydrophobicContact CD1-CG1 3.91Å; F198-V204 HydrophobicContact CD1-CG2 3.65Å; F198-V204 HydrophobicContact CD2-CG2 4.47Å; F198-V204 HydrophobicContact CE1-CB 4.48Å; F198-V204 HydrophobicContact CE1-CG1 3.51Å; F198-V204 HydrophobicContact CE1-CG2 4.13Å; F198-V204 HydrophobicContact CG-CG2 3.84Å; F198-V204 HydrophobicContact CZ-CG1 3.96Å; Q201-V204 HydrophobicContact CB-CG2 4.03Å; V204-F209 HydrophobicContact CG1-CB 3.89Å
205S97.1Very high91.9Very high43 Ų4371.8 Ų71.830%0.30137%0.367SS..BIsolated β-bridgetrans-85.9168.9172.878.80000110.9N207 T208 F209S205-N207 VanDerWaalsContact C-N 3.32Å; S205-N207 PolarHBondContact O-N 3Å; S205-T208 PolarHBondContact O-N 3.49Å; S205-T208 PolarHBondContact OG-N 3.05Å; S205-T208 PolarHBondContact OG-OG1 2.94Å; S205-F209 WeakPolarHBondContact O-CB 3.33Å; S205-F209 PolarHBondContact O-N 3.26Å
206L97.6Very high92.1Very high56 Ų5670.5 Ų70.529%0.29337%0.374SS..Hα-helixtrans-53.1-47.2176.2173.660.9000112.5R149 F152 F209 L210R149-L206 HydrophobicContact CB-CD1 4.5Å; R149-L206 HydrophobicContact CG-CD1 4.01Å; R149-L206 HydrophobicContact CG-CD2 4.28Å; F152-L206 HydrophobicContact CB-CD1 3.73Å; F152-L206 HydrophobicContact CD1-CB 3.94Å; F152-L206 HydrophobicContact CD1-CD1 3.76Å; F152-L206 HydrophobicContact CD1-CG 4.39Å; F152-L206 HydrophobicContact CD2-CD1 4.29Å; F152-L206 HydrophobicContact CE1-CB 3.79Å; F152-L206 HydrophobicContact CE1-CD1 4.47Å; F152-L206 HydrophobicContact CG-CB 4.42Å; F152-L206 HydrophobicContact CG-CD1 3.66Å; F152-L206 HydrophobicContact CZ-CB 4.14Å; F152-L206 VanDerWaalsContact CZ-N 3.25Å; L206-F209 WeakPolarHBondContact O-CB 3.11Å; L206-F209 PolarHBondContact O-N 2.88Å; L206-L210 HydrophobicContact CD1-CD1 4.03Å; L206-L210 HydrophobicContact CD1-CG 4.13Å; L206-L210 HydrophobicContact CG-CD1 4.14Å; L206-L210 WeakPolarHBondContact O-CG 3.44Å; L206-L210 PolarHBondContact O-N 3.47Å
207N96.8Very high92.1Very high108 Ų10871.2 Ų71.258%0.57837%0.373SS*.Hα-helixtrans-63.2-49.9179.8-66.8-6.2000110.1S205 F209 L210 D211S205-N207 VanDerWaalsContact C-N 3.32Å; S205-N207 PolarHBondContact O-N 3Å; N207-F209 PolarHBondContact O-N 2.87Å; N207-L210 CarbonylContact O-C 3.56Å; N207-L210 WeakPolarHBondContact O-CA 3.38Å; N207-L210 WeakPolarHBondContact O-CB 3.29Å; N207-L210 PolarHBondContact O-N 3.41Å; N207-D211 PolarHBondContact O-N 3.46Å; N207-D211 VanDerWaalsContact O-OD2 3.05Å
208T96.5Very high92.2Very high42 Ų4271.1 Ų71.126%0.25837%0.372SS..Hα-helixtrans-59.1-33.8179.3-30.80000112.9Q201 S205 T212Q201-T208 VanDerWaalsContact CD-CG2 3.49Å; S205-T208 PolarHBondContact O-N 3.49Å; S205-T208 PolarHBondContact OG-N 3.05Å; S205-T208 PolarHBondContact OG-OG1 2.94Å; T208-T212 VanDerWaalsContact O-CB 3.28Å; T208-T212 WeakPolarHBondContact O-CB 3.47Å; T208-T212 PolarHBondContact O-N 2.83Å; T208-T212 VanDerWaalsContact O-N 3.12Å; T208-T212 PolarHBondContact O-OG1 3.42Å
209F97.4Very high92.3Very high0 Ų071.7 Ų71.70%038%0.376CS..Hα-helixtrans-67-48.1171.8174-93.9000111.8L148 I151 F152 I155 M162 F167 F198 V204 S205 L206 N207 T212 L213L148-F209 HydrophobicContact CB-CE1 4.19Å; L148-F209 HydrophobicContact CD2-CE1 4.34Å; I151-F209 HydrophobicContact CG2-CZ 4.28Å; F152-F209 HydrophobicContact CB-CD1 4.16Å; F152-F209 HydrophobicContact CB-CE1 4.14Å; F152-F209 HydrophobicContact CD2-CB 3.64Å; F152-F209 AromaticContact CD2-CD1 3.73Å; F152-F209 HydrophobicContact CD2-CD1 3.73Å; F152-F209 AromaticContact CD2-CD2 3.95Å; F152-F209 HydrophobicContact CD2-CD2 3.95Å; F152-F209 HydrophobicContact CD2-CE1 4.31Å; F152-F209 AromaticContact CD2-CG 3.53Å; F152-F209 HydrophobicContact CD2-CG 3.53Å; F152-F209 HydrophobicContact CE2-CB 3.73Å; F152-F209 HydrophobicContact CE2-CD2 4.45Å; F152-F209 HydrophobicContact CE2-CG 4.08Å; F152-F209 HydrophobicContact CG-CD1 4.36Å; I155-F209 HydrophobicContact CD1-CE2 3.91Å; I155-F209 HydrophobicContact CD1-CZ 4.27Å; M162-F209 HydrophobicContact SD-CD2 3.83Å; M162-F209 HydrophobicContact SD-CE2 4.21Å; F167-F209 HydrophobicContact CD2-CE2 4.03Å; F167-F209 AromaticContact CE2-CE2 3.91Å; F167-F209 HydrophobicContact CE2-CE2 3.91Å; F198-F209 HydrophobicContact CE2-CD2 4.27Å; F198-F209 AromaticContact CZ-CD2 3.76Å; F198-F209 HydrophobicContact CZ-CD2 3.76Å; F198-F209 HydrophobicContact CZ-CG 4.5Å; V204-F209 HydrophobicContact CG1-CB 3.89Å; S205-F209 WeakPolarHBondContact O-CB 3.33Å; S205-F209 PolarHBondContact O-N 3.26Å; L206-F209 WeakPolarHBondContact O-CB 3.11Å; L206-F209 PolarHBondContact O-N 2.88Å; N207-F209 PolarHBondContact O-N 2.87Å; F209-T212 PolarHBondContact O-N 3.32Å; F209-L213 HydrophobicContact CD2-CD1 3.87Å; F209-L213 HydrophobicContact CE1-CD2 4Å; F209-L213 HydrophobicContact CE2-CD1 3.82Å; F209-L213 HydrophobicContact CE2-CD2 4.02Å; F209-L213 HydrophobicContact CG-CD1 4.26Å; F209-L213 HydrophobicContact CZ-CD1 4.19Å; F209-L213 HydrophobicContact CZ-CD2 3.61Å; F209-L213 VanDerWaalsContact O-CD1 3.29Å; F209-L213 WeakPolarHBondContact O-CD1 3.21Å; F209-L213 PolarHBondContact O-N 3.48Å
210L97.4Very high92.9Very high12 Ų1272.5 Ų72.56%0.06337%0.373CS..Hα-helixtrans-61.2-48.3177.2-68.2172.9000111.5L145 L148 R149 L206 N207 T212 L213 M214L145-L210 HydrophobicContact CD2-CD2 4.18Å; L148-L210 HydrophobicContact CB-CD2 3.45Å; L148-L210 VanDerWaalsContact CB-CD2 3.45Å; L148-L210 HydrophobicContact CD1-CD2 4.06Å; L148-L210 HydrophobicContact CG-CD2 4.42Å; R149-L210 HydrophobicContact CG-CD1 4.2Å; L206-L210 HydrophobicContact CD1-CD1 4.03Å; L206-L210 HydrophobicContact CD1-CG 4.13Å; L206-L210 HydrophobicContact CG-CD1 4.14Å; L206-L210 WeakPolarHBondContact O-CG 3.44Å; L206-L210 PolarHBondContact O-N 3.47Å; N207-L210 CarbonylContact O-C 3.56Å; N207-L210 WeakPolarHBondContact O-CA 3.38Å; N207-L210 WeakPolarHBondContact O-CB 3.29Å; N207-L210 PolarHBondContact O-N 3.41Å; L210-T212 VanDerWaalsContact C-N 3.27Å; L210-T212 PolarHBondContact O-N 3.47Å; L210-L213 PolarHBondContact O-N 2.92Å; L210-M214 VanDerWaalsContact O-CB 3.22Å; L210-M214 WeakPolarHBondContact O-CB 3.41Å; L210-M214 VanDerWaalsContact O-CG 3.28Å; L210-M214 WeakPolarHBondContact O-CG 3.36Å; L210-M214 PolarHBondContact O-N 3.11Å
211D95.6Very high93.8Very high108 Ų10864.7 Ų64.758%0.57834%0.338SS*.Hα-helixtrans-57.8-40.9178.2-57.4-31.3000111.2N207 S215N207-D211 PolarHBondContact O-N 3.46Å; N207-D211 VanDerWaalsContact O-OD2 3.05Å; D211-S215 PolarHBondContact O-N 2.87Å; D211-S215 VanDerWaalsContact O-N 3.09Å
212T95.4Very high94.4Very high24 Ų2461.9 Ų61.915%0.14733%0.325CS..Hα-helixtrans-73.5-37.8179.3-56.60000112.6C197 F198 T208 F209 L210 S215 P219C197-T212 VanDerWaalsContact O-CG2 3.31Å; C197-T212 WeakPolarHBondContact O-CG2 3.33Å; F198-T212 HydrophobicContact CD1-CG2 4.06Å; F198-T212 HydrophobicContact CE1-CG2 3.59Å; F198-T212 HydrophobicContact CZ-CG2 4.06Å; T208-T212 VanDerWaalsContact O-CB 3.28Å; T208-T212 WeakPolarHBondContact O-CB 3.47Å; T208-T212 PolarHBondContact O-N 2.83Å; T208-T212 VanDerWaalsContact O-N 3.12Å; T208-T212 PolarHBondContact O-OG1 3.42Å; F209-T212 PolarHBondContact O-N 3.32Å; L210-T212 VanDerWaalsContact C-N 3.27Å; L210-T212 PolarHBondContact O-N 3.47Å; T212-S215 PolarHBondContact O-OG 2.87Å; T212-P219 HydrophobicContact CG2-CG 4.34Å; T212-P219 WeakPolarHBondContact O-CD 3.42Å
213L95.6Very high95.1Very high6 Ų653.3 Ų53.33%0.03129%0.289CS..Hα-helixtrans-81.2-16.2179.1-88.374.2000113.2L148 F198 F209 L210 L222L148-L213 HydrophobicContact CD1-CB 4.1Å; L148-L213 HydrophobicContact CD1-CD2 4.49Å; L148-L213 HydrophobicContact CD2-CD2 3.71Å; F198-L213 HydrophobicContact CE2-CD1 4.45Å; F198-L213 HydrophobicContact CZ-CD1 3.87Å; F209-L213 HydrophobicContact CD2-CD1 3.87Å; F209-L213 HydrophobicContact CE1-CD2 4Å; F209-L213 HydrophobicContact CE2-CD1 3.82Å; F209-L213 HydrophobicContact CE2-CD2 4.02Å; F209-L213 HydrophobicContact CG-CD1 4.26Å; F209-L213 HydrophobicContact CZ-CD1 4.19Å; F209-L213 HydrophobicContact CZ-CD2 3.61Å; F209-L213 VanDerWaalsContact O-CD1 3.29Å; F209-L213 WeakPolarHBondContact O-CD1 3.21Å; F209-L213 PolarHBondContact O-N 3.48Å; L210-L213 PolarHBondContact O-N 2.92Å; L213-L222 HydrophobicContact CD2-CD1 3.83Å; L213-L222 HydrophobicContact CG-CD1 4.13Å
214M95.7Very high95.4Very high73 Ų7345.8 Ų45.836%0.3626%0.257SS..SBendtrans-110.46.8-179.7-60.9-59.5-53.100114I144 L145 L148 L210I144-M214 HydrophobicContact CD1-CE 4.35Å; I144-M214 HydrophobicContact CD1-SD 3.76Å; I144-M214 HydrophobicContact CG1-SD 4.13Å; I144-M214 HydrophobicContact CG2-CE 3.86Å; I144-M214 HydrophobicContact CG2-SD 4.03Å; L145-M214 HydrophobicContact CD2-CG 3.93Å; L148-M214 HydrophobicContact CD1-CG 4.1Å; L148-M214 HydrophobicContact CD1-SD 3.82Å; L210-M214 VanDerWaalsContact O-CB 3.22Å; L210-M214 WeakPolarHBondContact O-CB 3.41Å; L210-M214 VanDerWaalsContact O-CG 3.28Å; L210-M214 WeakPolarHBondContact O-CG 3.36Å; L210-M214 PolarHBondContact O-N 3.11Å
215S94.4Very high95.5Very high49 Ų4946 Ų4634%0.34326%0.258SS..SBendtrans-60.7161.9175.662.10000112.6D211 T212 P217 P218D211-S215 PolarHBondContact O-N 2.87Å; D211-S215 VanDerWaalsContact O-N 3.09Å; T212-S215 PolarHBondContact O-OG 2.87Å; S215-P217 CarbonylContact C-O 3.52Å; S215-P217 CarbonylContact O-C 3.49Å; S215-P217 PolarHBondContact OG-O 3.3Å; S215-P218 WeakPolarHBondContact O-CD 3.35Å; S215-P218 VanDerWaalsContact O-CG 3.28Å; S215-P218 WeakPolarHBondContact O-CG 3.38Å
216D90.4Very high95.5Very high153 Ų15344.6 Ų44.682%0.81825%0.248SC*.SBendtrans-114.4108.1169.7-165.217000110.2
217P89.8Confident95.4Very high82 Ų8242.2 Ų42.253%0.53224%0.235SC..SBendcis-76.7156.5-2.933-35.9000113.2S215S215-P217 CarbonylContact C-O 3.52Å; S215-P217 CarbonylContact O-C 3.49Å; S215-P217 PolarHBondContact OG-O 3.3Å
218P93.3Very high95.5Very high13 Ų1337.1 Ų37.18%0.08421%0.208CC..PPolyproline II helixtrans-70168.8168.1-18.630.9000112.6S215 Q220 V223 P226S215-P218 WeakPolarHBondContact O-CD 3.35Å; S215-P218 VanDerWaalsContact O-CG 3.28Å; S215-P218 WeakPolarHBondContact O-CG 3.38Å; P218-Q220 PolarHBondContact O-N 3.22Å; P218-V223 HydrophobicContact CB-CB 4.18Å; P218-V223 HydrophobicContact CB-CG2 4.36Å; P218-V223 HydrophobicContact CG-CB 4.39Å; P218-V223 HydrophobicContact CG-CG2 4.05Å; P218-P226 HydrophobicContact CB-CG 4.35Å; P218-P226 HydrophobicContact CG-CB 4.42Å; P218-P226 HydrophobicContact CG-CG 4.1Å
219P94.7Very high95.5Very high20 Ų2036 Ų3613%0.1320%0.2CC..PPolyproline II helixtrans-55.2129.6171.9-25.534.7000111.6T212 C221 L222 V223T212-P219 HydrophobicContact CG2-CG 4.34Å; T212-P219 WeakPolarHBondContact O-CD 3.42Å; P219-C221 PolarHBondContact O-N 3.41Å; P219-C221 VanDerWaalsContact O-N 3.08Å; P219-L222 CarbonylContact O-C 3.58Å; P219-L222 PolarHBondContact O-N 3.14Å; P219-V223 PolarHBondContact O-N 2.9Å
220Q93.4Very high95.4Very high128 Ų12840.2 Ų40.260%0.59822%0.216SC*.THydrogen-bonded Turntrans-63.4-21.9-167.3-65.4-63.5-27.300114.6F187 P218 V223F187-Q220 VanDerWaalsContact CE1-O 3.32Å; F187-Q220 WeakPolarHBondContact CE1-O 3.29Å; P218-Q220 PolarHBondContact O-N 3.22Å; Q220-V223 WeakPolarHBondContact O-CG1 3.37Å
221C95.2Very high95.3Very high19 Ų1940.2 Ų40.213%0.12822%0.216CC..THydrogen-bonded Turntrans-73.4-25.6171.654.40000113.4L175 A193 P219 W224L175-C221 HydrophobicContact CD1-CB 4.23Å; L175-C221 HydrophobicContact CD2-CB 4.35Å; L175-C221 WeakPolarHBondContact CD2-O 3.34Å; A193-C221 HydrophobicContact CB-CB 4.34Å; P219-C221 PolarHBondContact O-N 3.41Å; P219-C221 VanDerWaalsContact O-N 3.08Å; C221-W224 PolarHBondContact O-NE1 3.33Å
222L96.7Very high95.3Very high4 Ų436.3 Ų36.32%0.02120%0.198CC..THydrogen-bonded Turntrans-113.5-5.3-173.6-70-179.5000114.6F170 L171 V174 L175 L213 P219 W224 L225 P226F170-L222 HydrophobicContact CE1-CD1 4.36Å; L171-L222 HydrophobicContact CD2-CD1 3.9Å; L171-L222 HydrophobicContact CD2-CD2 3.88Å; L171-L222 HydrophobicContact CD2-CG 3.88Å; V174-L222 HydrophobicContact CG1-CD2 3.79Å; L175-L222 HydrophobicContact CD2-CD2 4.4Å; L213-L222 HydrophobicContact CD2-CD1 3.83Å; L213-L222 HydrophobicContact CG-CD1 4.13Å; P219-L222 CarbonylContact O-C 3.58Å; P219-L222 PolarHBondContact O-N 3.14Å; L222-W224 HydrophobicContact CD2-CZ2 4.44Å; L222-W224 PolarHBondContact O-N 3.3Å; L222-L225 WeakPolarHBondContact O-CB 3.48Å; L222-L225 PolarHBondContact O-N 2.74Å; L222-P226 WeakPolarHBondContact O-CD 3.5Å
223V96.9Very high95.2Very high21 Ų2141.2 Ų41.213%0.12722%0.224CC..THydrogen-bonded Turntrans-57-21.8-175.1590000114.7T34 F187 P218 P219 Q220 L225 L227T34-V223 HydrophobicContact CG2-CB 4.32Å; T34-V223 HydrophobicContact CG2-CG1 3.7Å; T34-V223 HydrophobicContact CG2-CG2 4Å; F187-V223 HydrophobicContact CE1-CG1 4.07Å; P218-V223 HydrophobicContact CB-CB 4.18Å; P218-V223 HydrophobicContact CB-CG2 4.36Å; P218-V223 HydrophobicContact CG-CB 4.39Å; P218-V223 HydrophobicContact CG-CG2 4.05Å; P219-V223 PolarHBondContact O-N 2.9Å; Q220-V223 WeakPolarHBondContact O-CG1 3.37Å; V223-L225 VanDerWaalsContact C-N 3.3Å; V223-L225 PolarHBondContact O-N 3.33Å; V223-L227 WeakPolarHBondContact O-CB 3.44Å; V223-L227 PolarHBondContact O-N 2.89Å
224W97.7Very high95.2Very high0 Ų041 Ų410%022%0.223CC..Hα-helixtrans-64.4-29170.260.5-94.8000113.6T37 L41 V174 L177 P178 F187 C221 L222 L227 M228T37-W224 HydrophobicContact CG2-CB 3.93Å; T37-W224 HydrophobicContact CG2-CG 4.06Å; L41-W224 HydrophobicContact CD1-CD2 4.12Å; L41-W224 HydrophobicContact CD1-CE3 3.42Å; L41-W224 VanDerWaalsContact CD1-CE3 3.42Å; L41-W224 HydrophobicContact CD1-CH2 4.24Å; L41-W224 HydrophobicContact CD1-CZ3 3.5Å; V174-W224 HydrophobicContact CG2-CH2 4.01Å; V174-W224 HydrophobicContact CG2-CZ2 4.12Å; L177-W224 HydrophobicContact CD1-CH2 4.37Å; P178-W224 HydrophobicContact CG-CD2 4.06Å; P178-W224 HydrophobicContact CG-CG 4.42Å; P178-W224 HydrophobicContact CG-CH2 4.5Å; P178-W224 HydrophobicContact CG-CZ2 3.78Å; F187-W224 AromaticContact CD1-CD1 3.64Å; F187-W224 AromaticContact CG-CD1 3.9Å; C221-W224 PolarHBondContact O-NE1 3.33Å; L222-W224 HydrophobicContact CD2-CZ2 4.44Å; L222-W224 PolarHBondContact O-N 3.3Å; W224-L227 PolarHBondContact O-N 2.88Å; W224-M228 WeakPolarHBondContact O-CB 3.4Å; W224-M228 PolarHBondContact O-N 2.96Å
225L97.2Very high95Very high5 Ų540.2 Ų40.23%0.02622%0.218CC..Hα-helixtrans-74.1-51.9-175174.364.1000112L222 V223 L227 M228 H229L222-L225 WeakPolarHBondContact O-CB 3.48Å; L222-L225 PolarHBondContact O-N 2.74Å; V223-L225 VanDerWaalsContact C-N 3.3Å; V223-L225 PolarHBondContact O-N 3.33Å; L225-L227 PolarHBondContact O-N 3.5Å; L225-M228 HydrophobicContact CD1-CE 4.35Å; L225-M228 PolarHBondContact O-N 3.23Å; L225-H229 PolarHBondContact O-CD2 3.27Å; L225-H229 PolarHBondContact O-N 3.42Å
226P97.2Very high95Very high13 Ų1344.2 Ų44.28%0.08424%0.236CC..Hα-helixtrans-58.2-34.1168.3-25.635.7000113.1I144 P218 L222 H229 R230I144-P226 HydrophobicContact CD1-CB 4.15Å; I144-P226 HydrophobicContact CD1-CG 4.12Å; P218-P226 HydrophobicContact CB-CG 4.35Å; P218-P226 HydrophobicContact CG-CB 4.42Å; P218-P226 HydrophobicContact CG-CG 4.1Å; L222-P226 WeakPolarHBondContact O-CD 3.5Å; P226-H229 PolarHBondContact O-N 3.32Å; P226-R230 WeakPolarHBondContact O-CG 3.29Å; P226-R230 PolarHBondContact O-N 3.03Å
227L97.2Very high95.2Very high7 Ų738.5 Ų38.54%0.03721%0.206CC..Hα-helixtrans-68.9-37.3177.8-174.859.7000112.8T34 Y35 A38 V223 W224 L225 H229 R230 L231 F254T34-L227 HydrophobicContact CG2-CD2 3.79Å; Y35-L227 HydrophobicContact CD1-CD1 4.13Å; Y35-L227 HydrophobicContact CD1-CD2 3.64Å; Y35-L227 HydrophobicContact CD1-CG 4.32Å; Y35-L227 HydrophobicContact CD2-CD2 4.36Å; Y35-L227 HydrophobicContact CE1-CD1 3.76Å; Y35-L227 HydrophobicContact CE1-CD2 3.92Å; Y35-L227 HydrophobicContact CE1-CG 4.41Å; Y35-L227 HydrophobicContact CG-CD2 3.9Å; A38-L227 HydrophobicContact CB-CB 4.04Å; A38-L227 HydrophobicContact CB-CD2 3.92Å; A38-L227 HydrophobicContact CB-CG 3.83Å; V223-L227 WeakPolarHBondContact O-CB 3.44Å; V223-L227 PolarHBondContact O-N 2.89Å; W224-L227 PolarHBondContact O-N 2.88Å; L225-L227 PolarHBondContact O-N 3.5Å; L227-H229 VanDerWaalsContact C-N 3.25Å; L227-H229 PolarHBondContact O-N 2.87Å; L227-R230 HydrophobicContact CD1-CB 4.36Å; L227-R230 PolarHBondContact O-N 2.75Å; L227-R230 VanDerWaalsContact O-N 3.13Å; L227-L231 WeakPolarHBondContact O-CG 3.44Å; L227-L231 PolarHBondContact O-N 2.79Å; L227-F254 HydrophobicContact CD1-CE2 4.21Å; L227-F254 HydrophobicContact CD1-CZ 4.02Å
228M97.2Very high95.4Very high0 Ų039.7 Ų39.70%020%0.203CC..Hα-helixtrans-59.8-36.5174.5-168.1-1737200111.8A38 L41 R42 W224 L225 A232A38-M228 HydrophobicContact CB-CB 4.38Å; L41-M228 HydrophobicContact CB-SD 3.81Å; R42-M228 HydrophobicContact CB-CG 4.08Å; W224-M228 WeakPolarHBondContact O-CB 3.4Å; W224-M228 PolarHBondContact O-N 2.96Å; L225-M228 HydrophobicContact CD1-CE 4.35Å; L225-M228 PolarHBondContact O-N 3.23Å; M228-A232 PolarHBondContact O-N 3.08Å
229H96.4Very high95.5Very high18 Ų1839.1 Ų39.18%0.08320%0.199CC..Hα-helixtrans-73.3-39.4172.3-77.7-88.8000112.8G142 I144 K147 L225 P226 L227 L231 A232 N233G142-H229 PolarHBondContact O-CE1 3.41Å; G142-H229 VanDerWaalsContact O-CE1 3.22Å; G142-H229 PolarHBondContact O-ND1 3.38Å; I144-H229 HydrophobicContact CB-CB 4.48Å; K147-H229 PolarHBondContact NZ-CE1 2.94Å; K147-H229 PolarHBondContact NZ-NE2 3.15Å; L225-H229 PolarHBondContact O-CD2 3.27Å; L225-H229 PolarHBondContact O-N 3.42Å; P226-H229 PolarHBondContact O-N 3.32Å; L227-H229 VanDerWaalsContact C-N 3.25Å; L227-H229 PolarHBondContact O-N 2.87Å; H229-L231 VanDerWaalsContact C-N 3.34Å; H229-L231 PolarHBondContact O-N 3.07Å; H229-A232 WeakPolarHBondContact O-CB 3.36Å; H229-A232 PolarHBondContact O-N 3.19Å; H229-N233 PolarHBondContact O-N 3.46Å; H229-N233 VanDerWaalsContact O-N 3.12Å; H229-N233 PolarHBondContact O-OD1 3.3Å
230R95.9Very high95.5Very high90 Ų9041.2 Ų41.234%0.3421%0.213SC..Hα-helixtrans-61.2-41.2174.2-7516456.5-178.3-5.3111.9P226 L227 A232 N233 V234 F254 E288P226-R230 WeakPolarHBondContact O-CG 3.29Å; P226-R230 PolarHBondContact O-N 3.03Å; L227-R230 HydrophobicContact CD1-CB 4.36Å; L227-R230 PolarHBondContact O-N 2.75Å; L227-R230 VanDerWaalsContact O-N 3.13Å; R230-A232 PolarHBondContact O-N 3.42Å; R230-N233 PolarHBondContact O-N 2.9Å; R230-N233 VanDerWaalsContact O-N 3.13Å; R230-V234 PolarHBondContact O-N 3.33Å; R230-V234 VanDerWaalsContact O-N 3.1Å; R230-F254 HydrophobicContact CB-CE1 4.3Å; R230-F254 HydrophobicContact CB-CZ 3.9Å; R230-E288 IonicContact CZ-OE1 2.68Å; R230-E288 IonicContact NE-OE1 2.83Å; R230-E288 IonicContact NH2-OE1 3.08Å; R230-E288 PolarHBondContact NH2-OE1 2.96Å; R230-E288 IonicContact NH2-OE2 3.66Å; R230-E288 PolarHBondContact NH2-OE2 3.49Å
231L96.1Very high95.4Very high12 Ų1236.7 Ų36.76%0.06319%0.194CC..Hα-helixtrans-55.4-47.9172.3-78.3167.2000111.8A38 L227 H229 N233 V234 E235 F254 W272A38-L231 HydrophobicContact CB-CD1 3.61Å; L227-L231 WeakPolarHBondContact O-CG 3.44Å; L227-L231 PolarHBondContact O-N 2.79Å; H229-L231 VanDerWaalsContact C-N 3.34Å; H229-L231 PolarHBondContact O-N 3.07Å; L231-N233 PolarHBondContact O-N 3.24Å; L231-V234 PolarHBondContact O-N 2.94Å; L231-E235 PolarHBondContact O-N 2.81Å; L231-E235 VanDerWaalsContact O-N 3.08Å; L231-F254 HydrophobicContact CD2-CD2 4.23Å; L231-F254 HydrophobicContact CD2-CE2 3.54Å; L231-F254 HydrophobicContact CD2-CZ 4.42Å; L231-F254 HydrophobicContact CG-CE2 4.02Å; L231-W272 HydrophobicContact CD2-CH2 3.56Å; L231-W272 HydrophobicContact CD2-CZ2 3.86Å
232A95.1Very high95.5Very high26 Ų2640.5 Ų40.522%0.21521%0.21CC..Hα-helixtrans-61.1-31.1177.200000113.3M228 H229 R230M228-A232 PolarHBondContact O-N 3.08Å; H229-A232 WeakPolarHBondContact O-CB 3.36Å; H229-A232 PolarHBondContact O-N 3.19Å; R230-A232 PolarHBondContact O-N 3.42Å
233N94.1Very high95.5Very high126 Ų12640.3 Ų40.367%0.67421%0.209SC*.Hα-helixtrans-79-29.3178.6-65.1-12.5000113.2H229 R230 L231H229-N233 PolarHBondContact O-N 3.46Å; H229-N233 VanDerWaalsContact O-N 3.12Å; H229-N233 PolarHBondContact O-OD1 3.3Å; R230-N233 PolarHBondContact O-N 2.9Å; R230-N233 VanDerWaalsContact O-N 3.13Å; L231-N233 PolarHBondContact O-N 3.24Å
234V94.9Very high95.5Very high3 Ų340.7 Ų40.72%0.01821%0.213CC..Hα-helixtrans-97.3-12.1-177.5-58.20000114.6R230 L231 N236 V237 G253 F254 T290R230-V234 PolarHBondContact O-N 3.33Å; R230-V234 VanDerWaalsContact O-N 3.1Å; L231-V234 PolarHBondContact O-N 2.94Å; V234-N236 PolarHBondContact O-N 3.18Å; V234-V237 HydrophobicContact CB-CB 4.49Å; V234-V237 HydrophobicContact CB-CG2 4.43Å; V234-V237 WeakPolarHBondContact O-CB 3.5Å; V234-V237 PolarHBondContact O-N 2.89Å; V234-G253 VanDerWaalsContact O-CA 3.29Å; V234-G253 WeakPolarHBondContact O-CA 3.42Å; V234-G253 PolarHBondContact O-N 3.08Å; V234-F254 HydrophobicContact CB-CD1 4.27Å; V234-F254 HydrophobicContact CB-CE1 4.28Å; V234-F254 HydrophobicContact CG1-CD1 3.84Å; V234-F254 HydrophobicContact CG1-CE1 3.68Å; V234-F254 HydrophobicContact CG1-CZ 4.46Å; V234-F254 HydrophobicContact CG2-CD1 3.77Å; V234-F254 HydrophobicContact CG2-CD2 3.97Å; V234-F254 HydrophobicContact CG2-CE1 3.67Å; V234-F254 HydrophobicContact CG2-CE2 3.91Å; V234-F254 HydrophobicContact CG2-CG 3.92Å; V234-F254 HydrophobicContact CG2-CZ 3.76Å; V234-T290 HydrophobicContact CG1-CG2 3.95Å
235E92.1Very high95.5Very high56 Ų5645.2 Ų45.226%0.26223%0.23SC..THydrogen-bonded Turntrans-57.3-24.7-171.464.8-173.4-144.900115R42 K46 L231R42-E235 IonicContact CZ-OE2 3.62Å; R42-E235 IonicContact NE-OE2 2.65Å; R42-E235 PolarHBondContact NE-OE2 2.98Å; R42-E235 VanDerWaalsContact NE-OE2 3.14Å; R42-E235 IonicContact NH2-OE1 3.69Å; R42-E235 PolarHBondContact NH2-OE1 3.32Å; R42-E235 IonicContact NH2-OE2 2.71Å; R42-E235 PolarHBondContact NH2-OE2 3.14Å; K46-E235 WeakPolarHBondContact CE-OE1 3.47Å; K46-E235 VanDerWaalsContact CE-OE2 3.29Å; K46-E235 WeakPolarHBondContact CE-OE2 3.47Å; K46-E235 IonicContact NZ-OE1 3.74Å; K46-E235 PolarHBondContact NZ-OE1 3.08Å; K46-E235 IonicContact NZ-OE2 3.02Å; K46-E235 PolarHBondContact NZ-OE2 2.91Å; L231-E235 PolarHBondContact O-N 2.81Å; L231-E235 VanDerWaalsContact O-N 3.08Å
236N93.3Very high95.5Very high133 Ų13347.4 Ų47.471%0.71125%0.246SC*.THydrogen-bonded Turntrans-109.611175.6-58.6-46.9000113.6V234 M252V234-N236 PolarHBondContact O-N 3.18Å; N236-M252 VanDerWaalsContact C-CE 3.5Å
237V94.6Very high95.5Very high32 Ų3252.7 Ų52.719%0.19427%0.269CS..  trans-83.1120.6178.91730000110V234 M252 G253V234-V237 HydrophobicContact CB-CB 4.49Å; V234-V237 HydrophobicContact CB-CG2 4.43Å; V234-V237 WeakPolarHBondContact O-CB 3.5Å; V234-V237 PolarHBondContact O-N 2.89Å; V237-M252 WeakPolarHBondContact O-CA 3.34Å; V237-G253 PolarHBondContact O-N 3.15Å
238F94.7Very high95.5Very high108 Ų10856 Ų5647%0.47429%0.289SS..EExtended strand (participates in β ladder)trans-94.6138.4178.7180-109000112.4P240 S250 M252F238-P240 HydrophobicContact CE1-CB 3.74Å; F238-P240 HydrophobicContact CE1-CG 4.24Å; F238-P240 HydrophobicContact CZ-CB 4.23Å; F238-S250 WeakPolarHBondContact CE2-OG 3.46Å; F238-M252 HydrophobicContact CB-SD 3.86Å; F238-M252 HydrophobicContact CD2-SD 3.78Å; F238-M252 HydrophobicContact CG-SD 4.33Å
239H94.5Very high95.4Very high0 Ų063.8 Ų63.80%033%0.326CS..EExtended strand (participates in β ladder)trans-124.7108.9173.4-66.9-62.6000110V241 S250 M251 R255 W292H239-V241 PolarHBondContact O-N 3.38Å; H239-S250 CarbonylContact O-C 3.55Å; H239-S250 VanDerWaalsContact O-CA 3.25Å; H239-S250 WeakPolarHBondContact O-CA 3.2Å; H239-S250 WeakPolarHBondContact O-CB 3.47Å; H239-M251 HydrophobicContact CB-CB 4.15Å; H239-M251 PolarHBondContact N-O 3.02Å; H239-M251 PolarHBondContact O-N 2.91Å; H239-R255 VanDerWaalsContact CD2-CB 3.41Å; H239-R255 WeakPolarHBondContact CD2-CB 3.42Å; H239-W292 AromaticContact ND1-CE3 3.91Å
240P94.4Very high95.2Very high64 Ų6465 Ų6542%0.41634%0.336SS..  trans-78.567.4176.732.4-34.8000110.7F238 W292F238-P240 HydrophobicContact CE1-CB 3.74Å; F238-P240 HydrophobicContact CE1-CG 4.24Å; F238-P240 HydrophobicContact CZ-CB 4.23Å; P240-W292 HydrophobicContact CG-CD2 4.42Å; P240-W292 HydrophobicContact CG-CG 4.46Å; P240-W292 HydrophobicContact CG-CZ2 4.23Å
241V92.9Very high95.2Very high34 Ų3460.9 Ų60.921%0.20632%0.321CS..SBendtrans-152.8134.6-178.7-148.70000110.8H239 E249 Q265 W292H239-V241 PolarHBondContact O-N 3.38Å; V241-E249 CarbonylContact C-O 3.58Å; V241-E249 PolarHBondContact N-O 3.02Å; V241-Q265 VanDerWaalsContact CB-NE2 3.28Å; V241-W292 HydrophobicContact CG2-CE3 4.08Å; V241-W292 HydrophobicContact CG2-CH2 3.31Å; V241-W292 HydrophobicContact CG2-CZ2 3.95Å; V241-W292 HydrophobicContact CG2-CZ3 3.4Å
242E96.1Very high95.1Very high98 Ų9864.8 Ų64.846%0.45834%0.34SS..  trans-64.1141.9-175.4-163-162140.300114.1H247 T248 E249 M251 Q265E242-H247 IonicContact OE1-CE1 3.21Å; E242-H247 IonicContact OE1-CG 2.73Å; E242-H247 IonicContact OE1-ND1 2.76Å; E242-H247 PolarHBondContact OE1-ND1 2.91Å; E242-T248 CarbonylContact C-O 3.57Å; E242-T248 VanDerWaalsContact CA-O 3.28Å; E242-T248 WeakPolarHBondContact CA-O 3.45Å; E242-E249 PolarHBondContact N-O 2.98Å; E242-M251 WeakPolarHBondContact O-CE 3.28Å; E242-Q265 PolarHBondContact O-NE2 3.22Å
243C97.4Very high95.1Very high0 Ų063.6 Ų63.60%033%0.331CS..  trans-79.7121.5169.3-174.60000112Y245 C246 H247 T248 M251 C267C243-Y245 PolarHBondContact O-N 3.18Å; C243-C246 WeakPolarHBondContact CB-SG 3.47Å; C243-C246 PolarHBondContact SG-SG 3.32Å; C243-H247 WeakPolarHBondContact O-CA 3.19Å; C243-H247 PolarHBondContact O-N 2.96Å; C243-T248 PolarHBondContact N-O 2.87Å; C243-M251 HydrophobicContact CB-CE 3.84Å; C243-C267 HydrophobicContact CB-CB 4.34Å; C243-C267 PolarHBondContact SG-N 3.34Å; C243-C267 VanDerWaalsContact SG-N 3.35Å
244S97.4Very high95.3Very high30 Ų3057.6 Ų57.621%0.2130%0.299CS..THydrogen-bonded Turntrans-65.64.6-179.3-50.30000115.5Q265 S277S244-Q265 VanDerWaalsContact CB-O 3.3Å; S244-Q265 WeakPolarHBondContact CB-O 3.33Å; S244-Q265 PolarHBondContact N-O 2.93Å; S244-Q265 PolarHBondContact OG-N 2.91Å; S244-Q265 PolarHBondContact OG-O 3.43Å; S244-Q265 VanDerWaalsContact OG-O 3.1Å; S244-S277 PolarHBondContact O-OG 2.8Å
245Y97.4Very high95.3Very high94 Ų9458.3 Ų58.337%0.36930%0.301SS..THydrogen-bonded Turntrans-125.3-53.6175.7-179.8-89.8000112.9C243 H247 H275 A276C243-Y245 PolarHBondContact O-N 3.18Å; Y245-H247 PolarHBondContact O-CD2 3.06Å; Y245-H275 HydrophobicContact CD1-CB 3.58Å; Y245-H275 AromaticContact CD1-CD2 3.89Å; Y245-H275 AromaticContact CD1-CG 3.89Å; Y245-H275 HydrophobicContact CD2-CB 3.78Å; Y245-H275 HydrophobicContact CE1-CB 3.57Å; Y245-H275 AromaticContact CE1-CD2 3.46Å; Y245-H275 VanDerWaalsContact CE1-CD2 3.46Å; Y245-H275 WeakPolarHBondContact CE1-CD2 3.47Å; Y245-H275 AromaticContact CE1-CG 3.43Å; Y245-H275 VanDerWaalsContact CE1-CG 3.43Å; Y245-H275 HydrophobicContact CE2-CB 3.76Å; Y245-H275 HydrophobicContact CG-CB 3.69Å; Y245-H275 AromaticContact CZ-CG 3.63Å; Y245-H275 AromaticContact CZ-ND1 3.9Å; Y245-A276 WeakPolarHBondContact CD2-O 3.32Å; Y245-A276 WeakPolarHBondContact CE2-O 3.48Å
246C97.1Very high95.6Very high52 Ų5255.9 Ų55.935%0.35129%0.289SS..THydrogen-bonded Turntrans-93.61.4-177.867.30000114.2C243 T248 C270C243-C246 WeakPolarHBondContact CB-SG 3.47Å; C243-C246 PolarHBondContact SG-SG 3.32Å; C246-T248 PolarHBondContact O-N 3.35Å; C246-T248 PolarHBondContact SG-OG1 3.05Å; C246-C270 VanDerWaalsContact SG-SG 3.65Å
247H97.3Very high95.7Very high124 Ų12453.7 Ų53.757%0.57427%0.271SS*.  trans54.714.8175.9-61.8-69.7000115.8E242 C243 Y245 E249E242-H247 IonicContact OE1-CE1 3.21Å; E242-H247 IonicContact OE1-CG 2.73Å; E242-H247 IonicContact OE1-ND1 2.76Å; E242-H247 PolarHBondContact OE1-ND1 2.91Å; C243-H247 WeakPolarHBondContact O-CA 3.19Å; C243-H247 PolarHBondContact O-N 2.96Å; Y245-H247 PolarHBondContact O-CD2 3.06Å; H247-E249 PolarHBondContact O-N 3.49Å
248T96.8Very high95.8Very high75 Ų7552.3 Ų52.346%0.4626%0.263SS..  trans-65.8120170.6-41.60000108.7E242 C243 C246 S250E242-T248 CarbonylContact C-O 3.57Å; E242-T248 VanDerWaalsContact CA-O 3.28Å; E242-T248 WeakPolarHBondContact CA-O 3.45Å; C243-T248 PolarHBondContact N-O 2.87Å; C246-T248 PolarHBondContact O-N 3.35Å; C246-T248 PolarHBondContact SG-OG1 3.05Å; T248-S250 WeakPolarHBondContact CG2-O 3.41Å; T248-S250 PolarHBondContact O-N 2.88Å; T248-S250 VanDerWaalsContact O-N 3.08Å
249E94.2Very high95.9Very high164 Ų16452 Ų5277%0.76626%0.263SS*.SBendtrans-62.3-16.5-172.5-58.9179.8161.600114.1V241 E242 H247V241-E249 CarbonylContact C-O 3.58Å; V241-E249 PolarHBondContact N-O 3.02Å; E242-E249 PolarHBondContact N-O 2.98Å; H247-E249 PolarHBondContact O-N 3.49Å
250S93.5Very high96Very high43 Ų4357.8 Ų57.830%0.30129%0.29SS..SBendtrans-142.4165.917660.50000111.8F238 H239 T248F238-S250 WeakPolarHBondContact CE2-OG 3.46Å; H239-S250 CarbonylContact O-C 3.55Å; H239-S250 VanDerWaalsContact O-CA 3.25Å; H239-S250 WeakPolarHBondContact O-CA 3.2Å; H239-S250 WeakPolarHBondContact O-CB 3.47Å; T248-S250 WeakPolarHBondContact CG2-O 3.41Å; T248-S250 PolarHBondContact O-N 2.88Å; T248-S250 VanDerWaalsContact O-N 3.08Å
251M95Very high96Very high5 Ų555.6 Ų55.63%0.02528%0.276CS..EExtended strand (participates in β ladder)trans-131147.5179-41.8173.2174.200110.6H239 E242 C243 R255 Q265 C267H239-M251 HydrophobicContact CB-CB 4.15Å; H239-M251 PolarHBondContact N-O 3.02Å; H239-M251 PolarHBondContact O-N 2.91Å; E242-M251 WeakPolarHBondContact O-CE 3.28Å; C243-M251 HydrophobicContact CB-CE 3.84Å; M251-R255 HydrophobicContact SD-CB 3.86Å; M251-R255 HydrophobicContact SD-CG 3.65Å; M251-Q265 HydrophobicContact CE-CG 4.42Å; M251-C267 HydrophobicContact CB-CB 4.13Å; M251-C267 HydrophobicContact CE-CB 4.35Å; M251-C267 HydrophobicContact CG-CB 3.82Å; M251-C267 VanDerWaalsContact SD-CA 3.57Å; M251-C267 HydrophobicContact SD-CB 3.96Å
252M94.8Very high96Very high93 Ų9361.9 Ų61.946%0.45830%0.303SS..EExtended strand (participates in β ladder)trans-111.3154.9164.1-66.4-63.5-70.300109.5N236 V237 F238N236-M252 VanDerWaalsContact C-CE 3.5Å; V237-M252 WeakPolarHBondContact O-CA 3.34Å; F238-M252 HydrophobicContact CB-SD 3.86Å; F238-M252 HydrophobicContact CD2-SD 3.78Å; F238-M252 HydrophobicContact CG-SD 4.33Å
253G95.8Very high95.7Very high2 Ų261.7 Ų61.72%0.02131%0.305CS..SBendtrans80.3-148.2-179.400000112.8V234 V237V234-G253 VanDerWaalsContact O-CA 3.29Å; V234-G253 WeakPolarHBondContact O-CA 3.42Å; V234-G253 PolarHBondContact O-N 3.08Å; V237-G253 PolarHBondContact O-N 3.15Å
254F96.8Very high95.7Very high0 Ų062.7 Ų62.70%031%0.309CS..  trans-71.3136.3177.4-61.6-67.2000112.5Y35 L227 R230 L231 V234 Y256 Q268 W272 E288 T290Y35-F254 HydrophobicContact CE1-CD2 4.32Å; Y35-F254 HydrophobicContact CE1-CE2 4.1Å; L227-F254 HydrophobicContact CD1-CE2 4.21Å; L227-F254 HydrophobicContact CD1-CZ 4.02Å; R230-F254 HydrophobicContact CB-CE1 4.3Å; R230-F254 HydrophobicContact CB-CZ 3.9Å; L231-F254 HydrophobicContact CD2-CD2 4.23Å; L231-F254 HydrophobicContact CD2-CE2 3.54Å; L231-F254 HydrophobicContact CD2-CZ 4.42Å; L231-F254 HydrophobicContact CG-CE2 4.02Å; V234-F254 HydrophobicContact CB-CD1 4.27Å; V234-F254 HydrophobicContact CB-CE1 4.28Å; V234-F254 HydrophobicContact CG1-CD1 3.84Å; V234-F254 HydrophobicContact CG1-CE1 3.68Å; V234-F254 HydrophobicContact CG1-CZ 4.46Å; V234-F254 HydrophobicContact CG2-CD1 3.77Å; V234-F254 HydrophobicContact CG2-CD2 3.97Å; V234-F254 HydrophobicContact CG2-CE1 3.67Å; V234-F254 HydrophobicContact CG2-CE2 3.91Å; V234-F254 HydrophobicContact CG2-CG 3.92Å; V234-F254 HydrophobicContact CG2-CZ 3.76Å; F254-Y256 HydrophobicContact CB-CD2 4.3Å; F254-Y256 HydrophobicContact CB-CE2 3.47Å; F254-Y256 VanDerWaalsContact CB-CE2 3.47Å; F254-Y256 WeakPolarHBondContact CB-OH 3.35Å; F254-Y256 WeakPolarHBondContact CD2-OH 3.31Å; F254-Y256 HydrophobicContact CG-CE2 4.39Å; F254-Q268 HydrophobicContact CB-CG 4.48Å; F254-Q268 HydrophobicContact CD2-CG 4.43Å; F254-Q268 VanDerWaalsContact N-OE1 3.12Å; F254-Q268 PolarHBondContact O-N 3.02Å; F254-W272 AromaticContact CD2-CZ2 3.86Å; F254-W272 HydrophobicContact CD2-CZ2 3.86Å; F254-W272 HydrophobicContact CE2-CZ2 4.19Å; F254-E288 HydrophobicContact CB-CG 4.19Å; F254-E288 HydrophobicContact CD1-CG 3.63Å; F254-E288 VanDerWaalsContact CD1-OE1 3.26Å; F254-E288 WeakPolarHBondContact CD1-OE1 3.46Å; F254-E288 VanDerWaalsContact CE1-CD 3.47Å; F254-E288 HydrophobicContact CE1-CG 4.31Å; F254-E288 WeakPolarHBondContact CE1-OE1 3.37Å; F254-E288 HydrophobicContact CG-CG 4.15Å; F254-T290 HydrophobicContact CD1-CG2 4.05Å; F254-T290 HydrophobicContact CE1-CG2 3.93Å
255R96.1Very high95.6Very high18 Ų1861.9 Ų61.97%0.06830%0.302CS..EExtended strand (participates in β ladder)trans-105.4128.6166.5169167.2160.5-90.35.7110.9H239 M251 Q265 E288 Y289H239-R255 VanDerWaalsContact CD2-CB 3.41Å; H239-R255 WeakPolarHBondContact CD2-CB 3.42Å; M251-R255 HydrophobicContact SD-CB 3.86Å; M251-R255 HydrophobicContact SD-CG 3.65Å; R255-Q265 VanDerWaalsContact CZ-OE1 3.25Å; R255-E288 CarbonylContact O-C 3.16Å; R255-Y289 PolarHBondContact N-O 3.44Å; R255-Y289 PolarHBondContact O-N 3.24Å
256Y96.8Very high95.6Very high4 Ų457.4 Ų57.42%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-108.8119.8-179.5-63.8-82000110.5Y35 F254 Q265 L266 F271 W272 M286 E288Y35-Y256 WeakPolarHBondContact CE1-OH 3.34Å; Y35-Y256 VanDerWaalsContact CZ-OH 3.25Å; Y35-Y256 PolarHBondContact OH-OH 2.97Å; F254-Y256 HydrophobicContact CB-CD2 4.3Å; F254-Y256 HydrophobicContact CB-CE2 3.47Å; F254-Y256 VanDerWaalsContact CB-CE2 3.47Å; F254-Y256 WeakPolarHBondContact CB-OH 3.35Å; F254-Y256 WeakPolarHBondContact CD2-OH 3.31Å; F254-Y256 HydrophobicContact CG-CE2 4.39Å; Y256-Q265 CarbonylContact O-C 3.55Å; Y256-Q265 WeakPolarHBondContact O-CA 3.44Å; Y256-Q265 WeakPolarHBondContact O-CB 3.48Å; Y256-L266 PolarHBondContact N-O 3.48Å; Y256-L266 PolarHBondContact O-N 2.87Å; Y256-F271 AromaticContact CD1-CD1 3.55Å; Y256-F271 HydrophobicContact CD1-CD1 3.55Å; Y256-F271 AromaticContact CD1-CE1 3.66Å; Y256-F271 HydrophobicContact CD1-CE1 3.66Å; Y256-F271 HydrophobicContact CD1-CG 4.06Å; Y256-F271 HydrophobicContact CD1-CZ 4.26Å; Y256-F271 HydrophobicContact CD2-CB 3.51Å; Y256-F271 AromaticContact CD2-CD1 3.42Å; Y256-F271 HydrophobicContact CD2-CD1 3.42Å; Y256-F271 VanDerWaalsContact CD2-CD1 3.42Å; Y256-F271 HydrophobicContact CD2-CE1 4.35Å; Y256-F271 AromaticContact CD2-CG 3.65Å; Y256-F271 HydrophobicContact CD2-CG 3.65Å; Y256-F271 AromaticContact CE1-CD1 3.57Å; Y256-F271 HydrophobicContact CE1-CD1 3.57Å; Y256-F271 AromaticContact CE1-CE1 3.53Å; Y256-F271 HydrophobicContact CE1-CE1 3.53Å; Y256-F271 HydrophobicContact CE1-CG 4.5Å; Y256-F271 HydrophobicContact CE1-CZ 4.44Å; Y256-F271 HydrophobicContact CE2-CB 4.13Å; Y256-F271 AromaticContact CE2-CD1 3.43Å; Y256-F271 HydrophobicContact CE2-CD1 3.43Å; Y256-F271 VanDerWaalsContact CE2-CD1 3.43Å; Y256-F271 HydrophobicContact CE2-CE1 4.22Å; Y256-F271 HydrophobicContact CE2-CG 4.12Å; Y256-F271 HydrophobicContact CG-CB 3.87Å; Y256-F271 AromaticContact CG-CD1 3.48Å; Y256-F271 HydrophobicContact CG-CD1 3.48Å; Y256-F271 VanDerWaalsContact CG-CD1 3.48Å; Y256-F271 HydrophobicContact CG-CD2 4.31Å; Y256-F271 HydrophobicContact CG-CE1 4.08Å; Y256-F271 AromaticContact CG-CG 3.61Å; Y256-F271 HydrophobicContact CG-CG 3.61Å; Y256-F271 AromaticContact CZ-CD1 3.52Å; Y256-F271 AromaticContact CZ-CE1 3.84Å; Y256-W272 AromaticContact CE2-NE1 3.9Å; Y256-W272 AromaticContact CZ-NE1 3.92Å; Y256-W272 PolarHBondContact OH-NE1 3.04Å; Y256-M286 WeakPolarHBondContact O-CE 3.42Å; Y256-E288 HydrophobicContact CD1-CB 4.01Å; Y256-E288 HydrophobicContact CD1-CG 4.24Å; Y256-E288 HydrophobicContact CE1-CB 3.7Å; Y256-E288 HydrophobicContact CE1-CG 3.62Å; Y256-E288 PolarHBondContact OH-OE2 2.85Å
257R96.3Very high95.6Very high88 Ų8855.7 Ų55.733%0.33227%0.272SS..EExtended strand (participates in β ladder)trans-105.3136.3176-172.5-167.3164.5135.16.1110.2M286 K287 Y289R257-M286 CarbonylContact O-C 3.58Å; R257-M286 WeakPolarHBondContact O-CA 3.42Å; R257-K287 PolarHBondContact N-O 3.42Å; R257-K287 PolarHBondContact O-N 3.08Å; R257-Y289 HydrophobicContact CB-CD2 4.23Å; R257-Y289 HydrophobicContact CB-CE2 3.72Å
258C97Very high95.6Very high2 Ų251.2 Ų51.21%0.01425%0.252CS..EExtended strand (participates in β ladder)trans-69.3137.5170.6-164.80000111.2Q260 C261 Y264 H284 M286C258-Q260 PolarHBondContact SG-N 3.4Å; C258-Q260 VanDerWaalsContact SG-N 3.45Å; C258-C261 HydrophobicContact CB-CB 3.93Å; C258-C261 PolarHBondContact SG-N 2.9Å; C258-Y264 HydrophobicContact CB-CD1 4.21Å; C258-Y264 PolarHBondContact N-O 3.01Å; C258-H284 VanDerWaalsContact SG-CB 3.57Å; C258-M286 WeakPolarHBondContact CA-SD 3.13Å; C258-M286 HydrophobicContact CB-CE 4.41Å; C258-M286 HydrophobicContact CB-SD 3.62Å
259Q96.1Very high95.5Very high102 Ų10251.7 Ų51.748%0.47725%0.252SS..SBendtrans-82.9-15.9173.9-58.7-167.645.700112.5Q285 K287Q259-Q285 WeakPolarHBondContact CB-O 3.36Å; Q259-Q285 WeakPolarHBondContact CG-O 3.26Å; Q259-Q285 PolarHBondContact N-O 3.37Å; Q259-K287 HydrophobicContact CG-CB 4.06Å
260Q96.4Very high95.6Very high121 Ų12144.2 Ų44.257%0.56522%0.217SC*.SBendtrans-109.6-43.3-173.5-61.4172.35.500112.5C258 H284C258-Q260 PolarHBondContact SG-N 3.4Å; C258-Q260 VanDerWaalsContact SG-N 3.45Å; Q260-H284 HydrophobicContact CB-CB 4.41Å; Q260-H284 PolarHBondContact OE1-CD2 3.47Å
261C95.6Very high95.8Very high18 Ų1843.6 Ų43.612%0.12221%0.209CC..SBendtrans-81.6130.6177.3-59.50000111.4C258 N263 Y264 H284C258-C261 HydrophobicContact CB-CB 3.93Å; C258-C261 PolarHBondContact SG-N 2.9Å; C261-N263 PolarHBondContact O-N 3.45Å; C261-Y264 VanDerWaalsContact CB-CB 3.45Å; C261-Y264 HydrophobicContact CB-CG 4.14Å; C261-Y264 PolarHBondContact O-N 2.83Å; C261-H284 PolarHBondContact SG-ND1 2.84Å
262H92.3Very high95.9Very high166 Ų16643.8 Ų43.877%0.76921%0.21SC*.THydrogen-bonded Turntrans-62.4127.2178.3-172.788.7000111.6Y264H262-Y264 PolarHBondContact O-N 3.24Å
263N90.2Very high95.9Very high95 Ų9544 Ų4451%0.50821%0.205SC..THydrogen-bonded Turntrans48.213.7-178.5-66.2-12.3000117.3C261C261-N263 PolarHBondContact O-N 3.45Å
264Y96.1Very high95.9Very high21 Ų2144.5 Ų44.58%0.08221%0.211CC..  trans-76.7131.2179.1-166.2-86.9000111.4C258 C261 H262 L266 S277 H280C258-Y264 HydrophobicContact CB-CD1 4.21Å; C258-Y264 PolarHBondContact N-O 3.01Å; C261-Y264 VanDerWaalsContact CB-CB 3.45Å; C261-Y264 HydrophobicContact CB-CG 4.14Å; C261-Y264 PolarHBondContact O-N 2.83Å; H262-Y264 PolarHBondContact O-N 3.24Å; Y264-L266 HydrophobicContact CE1-CD1 4.25Å; Y264-L266 HydrophobicContact CE1-CD2 3.76Å; Y264-L266 HydrophobicContact CE1-CG 3.84Å; Y264-S277 VanDerWaalsContact CE2-OG 3.27Å; Y264-S277 WeakPolarHBondContact CE2-OG 3.32Å; Y264-S277 PolarHBondContact OH-N 3.34Å; Y264-S277 PolarHBondContact OH-OG 2.83Å; Y264-H280 HydrophobicContact CD1-CB 4.01Å; Y264-H280 AromaticContact CD1-CD2 3.96Å; Y264-H280 AromaticContact CD1-CE1 3.93Å; Y264-H280 AromaticContact CD1-CG 3.56Å; Y264-H280 AromaticContact CD1-ND1 3.53Å; Y264-H280 HydrophobicContact CD2-CB 3.97Å; Y264-H280 HydrophobicContact CE1-CB 3.66Å; Y264-H280 AromaticContact CE1-CD2 3.25Å; Y264-H280 WeakPolarHBondContact CE1-CD2 3.34Å; Y264-H280 AromaticContact CE1-CE1 3.95Å; Y264-H280 AromaticContact CE1-CG 3.22Å; Y264-H280 AromaticContact CE1-ND1 3.66Å; Y264-H280 AromaticContact CE1-NE2 3.73Å; Y264-H280 HydrophobicContact CE2-CB 3.61Å; Y264-H280 HydrophobicContact CG-CB 4.16Å; Y264-H280 VanDerWaalsContact CZ-CB 3.44Å; Y264-H280 AromaticContact CZ-CD2 3.69Å; Y264-H280 AromaticContact CZ-CG 3.55Å
265Q96.4Very high95.9Very high13 Ų1347.4 Ų47.46%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-155.2144.5-175.847.9168.162.700112.6V241 E242 S244 M251 R255 Y256V241-Q265 VanDerWaalsContact CB-NE2 3.28Å; E242-Q265 PolarHBondContact O-NE2 3.22Å; S244-Q265 VanDerWaalsContact CB-O 3.3Å; S244-Q265 WeakPolarHBondContact CB-O 3.33Å; S244-Q265 PolarHBondContact N-O 2.93Å; S244-Q265 PolarHBondContact OG-N 2.91Å; S244-Q265 PolarHBondContact OG-O 3.43Å; S244-Q265 VanDerWaalsContact OG-O 3.1Å; M251-Q265 HydrophobicContact CE-CG 4.42Å; R255-Q265 VanDerWaalsContact CZ-OE1 3.25Å; Y256-Q265 CarbonylContact O-C 3.55Å; Y256-Q265 WeakPolarHBondContact O-CA 3.44Å; Y256-Q265 WeakPolarHBondContact O-CB 3.48Å
266L97.6Very high95.8Very high0 Ų048.3 Ų48.30%024%0.236CC..EExtended strand (participates in β ladder)trans-119.7142.9-178.9-61.1178.6000110Y256 Y264 C270 F271 H275 M286Y256-L266 PolarHBondContact N-O 3.48Å; Y256-L266 PolarHBondContact O-N 2.87Å; Y264-L266 HydrophobicContact CE1-CD1 4.25Å; Y264-L266 HydrophobicContact CE1-CD2 3.76Å; Y264-L266 HydrophobicContact CE1-CG 3.84Å; L266-C270 HydrophobicContact CB-CB 4.09Å; L266-C270 HydrophobicContact CD2-CB 4.08Å; L266-C270 HydrophobicContact CG-CB 4.47Å; L266-F271 HydrophobicContact CB-CB 4.09Å; L266-F271 HydrophobicContact CD1-CB 4.18Å; L266-H275 VanDerWaalsContact CD1-O 3.31Å; L266-H275 WeakPolarHBondContact CD1-O 3.43Å; L266-M286 HydrophobicContact CB-CE 4.48Å; L266-M286 HydrophobicContact CD1-CE 4.18Å; L266-M286 HydrophobicContact CG-CE 4.2Å
267C97Very high95.7Very high15 Ų1549.9 Ų49.910%0.10125%0.247CC..EExtended strand (participates in β ladder)trans-65.9165.4160.869.50000110.2C243 M251 D269 C270 F271C243-C267 HydrophobicContact CB-CB 4.34Å; C243-C267 PolarHBondContact SG-N 3.34Å; C243-C267 VanDerWaalsContact SG-N 3.35Å; M251-C267 HydrophobicContact CB-CB 4.13Å; M251-C267 HydrophobicContact CE-CB 4.35Å; M251-C267 HydrophobicContact CG-CB 3.82Å; M251-C267 VanDerWaalsContact SD-CA 3.57Å; M251-C267 HydrophobicContact SD-CB 3.96Å; C267-D269 PolarHBondContact O-N 2.96Å; C267-C270 PolarHBondContact O-N 3.08Å; C267-C270 PolarHBondContact SG-SG 3.31Å; C267-F271 PolarHBondContact O-N 3.44Å; C267-F271 VanDerWaalsContact O-N 3.13Å
268Q96.3Very high95.4Very high31 Ų3150 Ų5015%0.14528%0.276CS..Hα-helixtrans-45.1-56.9179.9-171.2175.5-93.600113.1F254 C270 F271 W272F254-Q268 HydrophobicContact CB-CG 4.48Å; F254-Q268 HydrophobicContact CD2-CG 4.43Å; F254-Q268 VanDerWaalsContact N-OE1 3.12Å; F254-Q268 PolarHBondContact O-N 3.02Å; Q268-C270 PolarHBondContact O-N 2.98Å; Q268-F271 PolarHBondContact O-N 3.31Å; Q268-W272 HydrophobicContact CG-CD2 3.77Å; Q268-W272 VanDerWaalsContact CG-CE2 3.46Å; Q268-W272 HydrophobicContact CG-CE3 3.82Å; Q268-W272 HydrophobicContact CG-CH2 3.33Å; Q268-W272 HydrophobicContact CG-CZ2 3.26Å; Q268-W272 HydrophobicContact CG-CZ3 3.61Å; Q268-W272 WeakPolarHBondContact O-CB 3.49Å; Q268-W272 PolarHBondContact O-N 2.95Å
269D95.8Very high95.1Very high85 Ų8555.2 Ų55.246%0.45531%0.312SS..Hα-helixtrans-68.7-36.5-173.3-51.7-47.5000112.6C267 W272 R273C267-D269 PolarHBondContact O-N 2.96Å; D269-W272 PolarHBondContact O-N 3.5Å; D269-R273 VanDerWaalsContact O-CB 3.29Å; D269-R273 WeakPolarHBondContact O-CB 3.48Å; D269-R273 VanDerWaalsContact O-CG 3.3Å; D269-R273 WeakPolarHBondContact O-CG 3.4Å; D269-R273 PolarHBondContact O-N 2.93Å
270C96.7Very high95.1Very high7 Ų751 Ų515%0.04729%0.293CS..Hα-helixtrans-65.1-43.3177.2-73.60000111.9C246 L266 C267 Q268 G274 H275C246-C270 VanDerWaalsContact SG-SG 3.65Å; L266-C270 HydrophobicContact CB-CB 4.09Å; L266-C270 HydrophobicContact CD2-CB 4.08Å; L266-C270 HydrophobicContact CG-CB 4.47Å; C267-C270 PolarHBondContact O-N 3.08Å; C267-C270 PolarHBondContact SG-SG 3.31Å; Q268-C270 PolarHBondContact O-N 2.98Å; C270-G274 PolarHBondContact O-N 3.05Å; C270-G274 VanDerWaalsContact O-N 3.15Å; C270-H275 HydrophobicContact CB-CB 4.19Å; C270-H275 PolarHBondContact O-N 3.13Å
271F97.3Very high95Very high30 Ų3047.3 Ų47.313%0.13228%0.28CS..Hα-helixtrans-66-43.6175.9174.7-113.3000111.8L32 Y35 Y256 L266 C267 Q268 G274 M286L32-F271 HydrophobicContact CD1-CD1 4.43Å; L32-F271 HydrophobicContact CD1-CE1 3.72Å; L32-F271 HydrophobicContact CD1-CZ 3.95Å; Y35-F271 HydrophobicContact CE2-CE1 4.5Å; Y256-F271 AromaticContact CD1-CD1 3.55Å; Y256-F271 HydrophobicContact CD1-CD1 3.55Å; Y256-F271 AromaticContact CD1-CE1 3.66Å; Y256-F271 HydrophobicContact CD1-CE1 3.66Å; Y256-F271 HydrophobicContact CD1-CG 4.06Å; Y256-F271 HydrophobicContact CD1-CZ 4.26Å; Y256-F271 HydrophobicContact CD2-CB 3.51Å; Y256-F271 AromaticContact CD2-CD1 3.42Å; Y256-F271 HydrophobicContact CD2-CD1 3.42Å; Y256-F271 VanDerWaalsContact CD2-CD1 3.42Å; Y256-F271 HydrophobicContact CD2-CE1 4.35Å; Y256-F271 AromaticContact CD2-CG 3.65Å; Y256-F271 HydrophobicContact CD2-CG 3.65Å; Y256-F271 AromaticContact CE1-CD1 3.57Å; Y256-F271 HydrophobicContact CE1-CD1 3.57Å; Y256-F271 AromaticContact CE1-CE1 3.53Å; Y256-F271 HydrophobicContact CE1-CE1 3.53Å; Y256-F271 HydrophobicContact CE1-CG 4.5Å; Y256-F271 HydrophobicContact CE1-CZ 4.44Å; Y256-F271 HydrophobicContact CE2-CB 4.13Å; Y256-F271 AromaticContact CE2-CD1 3.43Å; Y256-F271 HydrophobicContact CE2-CD1 3.43Å; Y256-F271 VanDerWaalsContact CE2-CD1 3.43Å; Y256-F271 HydrophobicContact CE2-CE1 4.22Å; Y256-F271 HydrophobicContact CE2-CG 4.12Å; Y256-F271 HydrophobicContact CG-CB 3.87Å; Y256-F271 AromaticContact CG-CD1 3.48Å; Y256-F271 HydrophobicContact CG-CD1 3.48Å; Y256-F271 VanDerWaalsContact CG-CD1 3.48Å; Y256-F271 HydrophobicContact CG-CD2 4.31Å; Y256-F271 HydrophobicContact CG-CE1 4.08Å; Y256-F271 AromaticContact CG-CG 3.61Å; Y256-F271 HydrophobicContact CG-CG 3.61Å; Y256-F271 AromaticContact CZ-CD1 3.52Å; Y256-F271 AromaticContact CZ-CE1 3.84Å; L266-F271 HydrophobicContact CB-CB 4.09Å; L266-F271 HydrophobicContact CD1-CB 4.18Å; C267-F271 PolarHBondContact O-N 3.44Å; C267-F271 VanDerWaalsContact O-N 3.13Å; Q268-F271 PolarHBondContact O-N 3.31Å; F271-G274 PolarHBondContact O-N 3.18Å; F271-G274 VanDerWaalsContact O-N 3.14Å; F271-M286 HydrophobicContact CD2-CB 4.46Å; F271-M286 HydrophobicContact CD2-CG 3.99Å; F271-M286 HydrophobicContact CE2-CB 3.91Å; F271-M286 HydrophobicContact CE2-CG 3.62Å; F271-M286 HydrophobicContact CZ-CB 4.35Å
272W96.4Very high95Very high8 Ų849.8 Ų49.83%0.0329%0.292CS..Hα-helixtrans-66.5-37.1-179.2-71.8-2.6000114.1I30 R31 Y35 C39 L231 F254 Y256 Q268 D269 G274I30-W272 HydrophobicContact CD1-CE3 3.77Å; I30-W272 HydrophobicContact CD1-CZ3 4.14Å; I30-W272 HydrophobicContact CG1-CB 4.37Å; I30-W272 HydrophobicContact CG1-CE3 4.18Å; I30-W272 HydrophobicContact CG2-CB 4.06Å; I30-W272 HydrophobicContact CG2-CG 4.36Å; R31-W272 WeakPolarHBondContact CB-O 3.44Å; R31-W272 PolarHBondContact N-O 3.34Å; Y35-W272 HydrophobicContact CD1-CD2 4.41Å; Y35-W272 AromaticContact CD1-CE2 3.34Å; Y35-W272 AromaticContact CD1-CZ2 3.4Å; Y35-W272 HydrophobicContact CD1-CZ2 3.4Å; Y35-W272 VanDerWaalsContact CD1-CZ2 3.4Å; Y35-W272 AromaticContact CD1-NE1 3.11Å; Y35-W272 AromaticContact CE1-CE2 3.96Å; Y35-W272 HydrophobicContact CE1-CZ2 4.03Å; Y35-W272 AromaticContact CE1-NE1 3.4Å; Y35-W272 AromaticContact CG-CD1 3.95Å; Y35-W272 AromaticContact CG-CE2 3.81Å; Y35-W272 HydrophobicContact CG-CZ2 4.22Å; Y35-W272 AromaticContact CG-NE1 3.45Å; Y35-W272 AromaticContact CZ-NE1 3.96Å; C39-W272 WeakPolarHBondContact SG-CH2 3.39Å; C39-W272 WeakPolarHBondContact SG-CZ3 3.24Å; L231-W272 HydrophobicContact CD2-CH2 3.56Å; L231-W272 HydrophobicContact CD2-CZ2 3.86Å; F254-W272 AromaticContact CD2-CZ2 3.86Å; F254-W272 HydrophobicContact CD2-CZ2 3.86Å; F254-W272 HydrophobicContact CE2-CZ2 4.19Å; Y256-W272 AromaticContact CE2-NE1 3.9Å; Y256-W272 AromaticContact CZ-NE1 3.92Å; Y256-W272 PolarHBondContact OH-NE1 3.04Å; Q268-W272 HydrophobicContact CG-CD2 3.77Å; Q268-W272 VanDerWaalsContact CG-CE2 3.46Å; Q268-W272 HydrophobicContact CG-CE3 3.82Å; Q268-W272 HydrophobicContact CG-CH2 3.33Å; Q268-W272 HydrophobicContact CG-CZ2 3.26Å; Q268-W272 HydrophobicContact CG-CZ3 3.61Å; Q268-W272 WeakPolarHBondContact O-CB 3.49Å; Q268-W272 PolarHBondContact O-N 2.95Å; D269-W272 PolarHBondContact O-N 3.5Å; W272-G274 VanDerWaalsContact C-N 3.27Å
273R95.7Very high95Very high97 Ų9750.4 Ų50.437%0.36630%0.295SS..Hα-helixtrans-79.7-7.7173.8-66.3171.1-179.1-95.6-3.3112.8D26 S29 D269D26-R273 IonicContact OD2-CZ 3.49Å; D26-R273 IonicContact OD2-NH1 2.94Å; D26-R273 PolarHBondContact OD2-NH1 2.96Å; D26-R273 IonicContact OD2-NH2 2.67Å; D26-R273 PolarHBondContact OD2-NH2 3.44Å; S29-R273 PolarHBondContact OG-NH1 2.88Å; S29-R273 VanDerWaalsContact OG-NH1 3.08Å; S29-R273 PolarHBondContact OG-NH2 3.36Å; S29-R273 VanDerWaalsContact OG-NH2 3.14Å; D269-R273 VanDerWaalsContact O-CB 3.29Å; D269-R273 WeakPolarHBondContact O-CB 3.48Å; D269-R273 VanDerWaalsContact O-CG 3.3Å; D269-R273 WeakPolarHBondContact O-CG 3.4Å; D269-R273 PolarHBondContact O-N 2.93Å
274G95.6Very high95.3Very high14 Ų1448.1 Ų48.114%0.14428%0.281CS..THydrogen-bonded Turntrans73.332178.700000113.8C270 F271 W272 N282C270-G274 PolarHBondContact O-N 3.05Å; C270-G274 VanDerWaalsContact O-N 3.15Å; F271-G274 PolarHBondContact O-N 3.18Å; F271-G274 VanDerWaalsContact O-N 3.14Å; W272-G274 VanDerWaalsContact C-N 3.27Å; G274-N282 WeakPolarHBondContact CA-OD1 3.42Å; G274-N282 PolarHBondContact O-ND2 2.85Å; G274-N282 PolarHBondContact O-OD1 3.09Å
275H95.8Very high95.2Very high60 Ų6052.9 Ų52.928%0.27830%0.304SS..  trans-73.4137.6175.6-67.1-31.4000111.3Y245 L266 C270Y245-H275 HydrophobicContact CD1-CB 3.58Å; Y245-H275 AromaticContact CD1-CD2 3.89Å; Y245-H275 AromaticContact CD1-CG 3.89Å; Y245-H275 HydrophobicContact CD2-CB 3.78Å; Y245-H275 HydrophobicContact CE1-CB 3.57Å; Y245-H275 AromaticContact CE1-CD2 3.46Å; Y245-H275 VanDerWaalsContact CE1-CD2 3.46Å; Y245-H275 WeakPolarHBondContact CE1-CD2 3.47Å; Y245-H275 AromaticContact CE1-CG 3.43Å; Y245-H275 VanDerWaalsContact CE1-CG 3.43Å; Y245-H275 HydrophobicContact CE2-CB 3.76Å; Y245-H275 HydrophobicContact CG-CB 3.69Å; Y245-H275 AromaticContact CZ-CG 3.63Å; Y245-H275 AromaticContact CZ-ND1 3.9Å; L266-H275 VanDerWaalsContact CD1-O 3.31Å; L266-H275 WeakPolarHBondContact CD1-O 3.43Å; C270-H275 HydrophobicContact CB-CB 4.19Å; C270-H275 PolarHBondContact O-N 3.13Å
276A95.2Very high95.2Very high37 Ų3753.7 Ų53.731%0.30631%0.309SS..  trans-143.9153.1-178.200000110.5Y245Y245-A276 WeakPolarHBondContact CD2-O 3.32Å; Y245-A276 WeakPolarHBondContact CE2-O 3.48Å
277S93.9Very high95.1Very high37 Ų3759 Ų5926%0.25933%0.332SS..  trans-148151.8-174.650.30000111.3S244 Y264 S279 H280S244-S277 PolarHBondContact O-OG 2.8Å; Y264-S277 VanDerWaalsContact CE2-OG 3.27Å; Y264-S277 WeakPolarHBondContact CE2-OG 3.32Å; Y264-S277 PolarHBondContact OH-N 3.34Å; Y264-S277 PolarHBondContact OH-OG 2.83Å; S277-S279 PolarHBondContact O-N 2.84Å; S277-H280 WeakPolarHBondContact O-CB 3.48Å; S277-H280 PolarHBondContact O-N 2.97Å
278G90.9Very high94.9Very high90 Ų9060.1 Ų60.193%0.92834%0.335SS*.THydrogen-bonded Turntrans59.9-128.2-179.500000112.6
279S90.7Very high94.8Very high112 Ų11262.3 Ų62.378%0.78334%0.343SS*.THydrogen-bonded Turntrans-90.29.7178.555.90000114.3S277S277-S279 PolarHBondContact O-N 2.84Å
280H95.2Very high94.7Very high15 Ų1561.4 Ų61.47%0.06934%0.34CS..  trans-80.7134177.8-17669.9000112.1Y264 S277 H284 M286Y264-H280 HydrophobicContact CD1-CB 4.01Å; Y264-H280 AromaticContact CD1-CD2 3.96Å; Y264-H280 AromaticContact CD1-CE1 3.93Å; Y264-H280 AromaticContact CD1-CG 3.56Å; Y264-H280 AromaticContact CD1-ND1 3.53Å; Y264-H280 HydrophobicContact CD2-CB 3.97Å; Y264-H280 HydrophobicContact CE1-CB 3.66Å; Y264-H280 AromaticContact CE1-CD2 3.25Å; Y264-H280 WeakPolarHBondContact CE1-CD2 3.34Å; Y264-H280 AromaticContact CE1-CE1 3.95Å; Y264-H280 AromaticContact CE1-CG 3.22Å; Y264-H280 AromaticContact CE1-ND1 3.66Å; Y264-H280 AromaticContact CE1-NE2 3.73Å; Y264-H280 HydrophobicContact CE2-CB 3.61Å; Y264-H280 HydrophobicContact CG-CB 4.16Å; Y264-H280 VanDerWaalsContact CZ-CB 3.44Å; Y264-H280 AromaticContact CZ-CD2 3.69Å; Y264-H280 AromaticContact CZ-CG 3.55Å; S277-H280 WeakPolarHBondContact O-CB 3.48Å; S277-H280 PolarHBondContact O-N 2.97Å; H280-H284 AromaticContact ND1-ND1 3.69Å; H280-M286 VanDerWaalsContact CE1-SD 3.52Å
281S95.4Very high94.3Very high42 Ų4263.9 Ų63.929%0.29436%0.358SS..  trans-113.6141171.8175.70000110.6Q283 H284S281-Q283 PolarHBondContact O-N 3.18Å; S281-Q283 PolarHBondContact OG-N 3.05Å; S281-H284 PolarHBondContact N-CE1 2.98Å; S281-H284 PolarHBondContact N-ND1 3.12Å; S281-H284 WeakPolarHBondContact O-CB 3.48Å; S281-H284 PolarHBondContact O-N 3.38Å
282N93.8Very high93.5Very high70 Ų7066.8 Ų66.837%0.37437%0.368SS..THydrogen-bonded Turntrans-59.5-6.7171.3-82.9-64.7000114.4G274G274-N282 WeakPolarHBondContact CA-OD1 3.42Å; G274-N282 PolarHBondContact O-ND2 2.85Å; G274-N282 PolarHBondContact O-OD1 3.09Å
283Q94.3Very high92.4Very high179 Ų17974.1 Ų74.184%0.83640%0.4SS*.THydrogen-bonded Turntrans-88.2-15.9172.1-61179.43.200113.2S281S281-Q283 PolarHBondContact O-N 3.18Å; S281-Q283 PolarHBondContact OG-N 3.05Å
284H95.2Very high90.6Very high47 Ų4772.1 Ų72.122%0.21840%0.401CS..SBendtrans-69.4138.9179.8-61.2173.8000110.4C258 Q260 C261 H280 S281 M286C258-H284 VanDerWaalsContact SG-CB 3.57Å; Q260-H284 HydrophobicContact CB-CB 4.41Å; Q260-H284 PolarHBondContact OE1-CD2 3.47Å; C261-H284 PolarHBondContact SG-ND1 2.84Å; H280-H284 AromaticContact ND1-ND1 3.69Å; S281-H284 PolarHBondContact N-CE1 2.98Å; S281-H284 PolarHBondContact N-ND1 3.12Å; S281-H284 WeakPolarHBondContact O-CB 3.48Å; S281-H284 PolarHBondContact O-N 3.38Å; H284-M286 PolarHBondContact O-N 3.21Å
285Q94.8Very high88.8Confident121 Ų12175.3 Ų75.357%0.56542%0.419SS*.PPolyproline II helixtrans-65.5125.2-179.9-161.3-178.69.300110.7Q259Q259-Q285 WeakPolarHBondContact CB-O 3.36Å; Q259-Q285 WeakPolarHBondContact CG-O 3.26Å; Q259-Q285 PolarHBondContact N-O 3.37Å
286M95.8Very high86.7Confident31 Ų3175.3 Ų75.315%0.15343%0.43CS..EExtended strand (participates in β ladder)trans-100.2142.6174.2-60.5-62.8-82.700109.8Y256 R257 C258 L266 F271 H280 H284Y256-M286 WeakPolarHBondContact O-CE 3.42Å; R257-M286 CarbonylContact O-C 3.58Å; R257-M286 WeakPolarHBondContact O-CA 3.42Å; C258-M286 WeakPolarHBondContact CA-SD 3.13Å; C258-M286 HydrophobicContact CB-CE 4.41Å; C258-M286 HydrophobicContact CB-SD 3.62Å; L266-M286 HydrophobicContact CB-CE 4.48Å; L266-M286 HydrophobicContact CD1-CE 4.18Å; L266-M286 HydrophobicContact CG-CE 4.2Å; F271-M286 HydrophobicContact CD2-CB 4.46Å; F271-M286 HydrophobicContact CD2-CG 3.99Å; F271-M286 HydrophobicContact CE2-CB 3.91Å; F271-M286 HydrophobicContact CE2-CG 3.62Å; F271-M286 HydrophobicContact CZ-CB 4.35Å; H280-M286 VanDerWaalsContact CE1-SD 3.52Å; H284-M286 PolarHBondContact O-N 3.21Å
287K94.8Very high84.6Confident110 Ų11081.8 Ų81.848%0.47845%0.451SS..EExtended strand (participates in β ladder)trans-108.1125.4169.7-176.6158.3-174.3155.80109.4R257 Q259 Y289R257-K287 PolarHBondContact N-O 3.42Å; R257-K287 PolarHBondContact O-N 3.08Å; Q259-K287 HydrophobicContact CG-CB 4.06Å; K287-Y289 HydrophobicContact CB-CE2 4.11Å; K287-Y289 HydrophobicContact CD-CE2 4.5Å; K287-Y289 HydrophobicContact CG-CE2 3.91Å; K287-Y289 WeakPolarHBondContact O-CD2 3.27Å
288E94.4Very high82.6Confident39 Ų3986.9 Ų86.918%0.18247%0.468CS..EExtended strand (participates in β ladder)trans-74.4146.6173.4-170.4-176.310400111.1Y35 R230 F254 R255 Y256 T290Y35-E288 PolarHBondContact OH-OE2 3.43Å; R230-E288 IonicContact CZ-OE1 2.68Å; R230-E288 IonicContact NE-OE1 2.83Å; R230-E288 IonicContact NH2-OE1 3.08Å; R230-E288 PolarHBondContact NH2-OE1 2.96Å; R230-E288 IonicContact NH2-OE2 3.66Å; R230-E288 PolarHBondContact NH2-OE2 3.49Å; F254-E288 HydrophobicContact CB-CG 4.19Å; F254-E288 HydrophobicContact CD1-CG 3.63Å; F254-E288 VanDerWaalsContact CD1-OE1 3.26Å; F254-E288 WeakPolarHBondContact CD1-OE1 3.46Å; F254-E288 VanDerWaalsContact CE1-CD 3.47Å; F254-E288 HydrophobicContact CE1-CG 4.31Å; F254-E288 WeakPolarHBondContact CE1-OE1 3.37Å; F254-E288 HydrophobicContact CG-CG 4.15Å; R255-E288 CarbonylContact O-C 3.16Å; Y256-E288 HydrophobicContact CD1-CB 4.01Å; Y256-E288 HydrophobicContact CD1-CG 4.24Å; Y256-E288 HydrophobicContact CE1-CB 3.7Å; Y256-E288 HydrophobicContact CE1-CG 3.62Å; Y256-E288 PolarHBondContact OH-OE2 2.85Å; E288-T290 WeakPolarHBondContact OE1-CG2 3.37Å
289Y93.8Very high80.7Confident77 Ų7787.8 Ų87.830%0.30245%0.451SS..EExtended strand (participates in β ladder)trans-128.2130.7170-69.3-97.9000109.1R255 R257 K287R255-Y289 PolarHBondContact N-O 3.44Å; R255-Y289 PolarHBondContact O-N 3.24Å; R257-Y289 HydrophobicContact CB-CD2 4.23Å; R257-Y289 HydrophobicContact CB-CE2 3.72Å; K287-Y289 HydrophobicContact CB-CE2 4.11Å; K287-Y289 HydrophobicContact CD-CE2 4.5Å; K287-Y289 HydrophobicContact CG-CE2 3.91Å; K287-Y289 WeakPolarHBondContact O-CD2 3.27Å
290T92.1Very high78.9Confident66 Ų6687.2 Ų87.241%0.40544%0.443SS..SBendtrans-109.11.1-177.955.80000113.3V234 F254 E288V234-T290 HydrophobicContact CG1-CG2 3.95Å; F254-T290 HydrophobicContact CD1-CG2 4.05Å; F254-T290 HydrophobicContact CE1-CG2 3.93Å; E288-T290 WeakPolarHBondContact OE1-CG2 3.37Å
291S89.5Confident76.7Confident59 Ų5992.6 Ų92.641%0.41347%0.468SS..SBendtrans-155.7147.7-178.753.40000111
292W80.8Confident74.4Confident91 Ų9195 Ų9535%0.34548%0.481SS..  trans-92.5119.5170.8-173.5-121.6000110.5H239 P240 V241 P295H239-W292 AromaticContact ND1-CE3 3.91Å; P240-W292 HydrophobicContact CG-CD2 4.42Å; P240-W292 HydrophobicContact CG-CG 4.46Å; P240-W292 HydrophobicContact CG-CZ2 4.23Å; V241-W292 HydrophobicContact CG2-CE3 4.08Å; V241-W292 HydrophobicContact CG2-CH2 3.31Å; V241-W292 HydrophobicContact CG2-CZ2 3.95Å; V241-W292 HydrophobicContact CG2-CZ3 3.4Å; W292-P295 HydrophobicContact CH2-CG 4.44Å; W292-P295 HydrophobicContact CZ2-CG 4.34Å
293K72.3Confident72.3Confident163 Ų16395.7 Ų95.771%0.70948%0.484SS*.  trans-112.5111167.2-64.7-170179.7-173.50107.6
294S58.9Low70.3Confident54 Ų5490.1 Ų90.138%0.37847%0.465SS..  trans-51.7134.7-176.7175.40000111.7A296 K297S294-A296 PolarHBondContact O-N 2.99Å; S294-A296 VanDerWaalsContact O-N 3.1Å; S294-A296 PolarHBondContact OG-N 3.41Å; S294-K297 PolarHBondContact O-N 2.88Å; S294-K297 VanDerWaalsContact O-N 3.09Å
295P56.4Low68Low81 Ų8195.5 Ų95.553%0.52649%0.488SS..THydrogen-bonded Turntrans-53.1-30.4177.2-28.335.8000114.2W292 K297 K298 L299W292-P295 HydrophobicContact CH2-CG 4.44Å; W292-P295 HydrophobicContact CZ2-CG 4.34Å; P295-K297 VanDerWaalsContact C-N 3.28Å; P295-K297 PolarHBondContact O-N 2.94Å; P295-K298 WeakPolarHBondContact O-CB 3.49Å; P295-K298 PolarHBondContact O-N 3.47Å; P295-L299 PolarHBondContact O-N 2.89Å
296A52.2Low65.9Low61 Ų6193.3 Ų93.350%0.50449%0.486SS..Hα-helixtrans-54.1-42.3176.800000112.4S294 K298 L299 T300S294-A296 PolarHBondContact O-N 2.99Å; S294-A296 VanDerWaalsContact O-N 3.1Å; S294-A296 PolarHBondContact OG-N 3.41Å; A296-K298 PolarHBondContact O-N 3.35Å; A296-K298 VanDerWaalsContact O-N 3.11Å; A296-L299 WeakPolarHBondContact O-CB 3.36Å; A296-L299 PolarHBondContact O-N 3.37Å; A296-T300 PolarHBondContact O-OG1 3.28Å
297K51.8Low63.4Low173 Ų17397.6 Ų97.675%0.75251%0.509SS*.Hα-helixtrans-70-5.4179-62.9-162.2175.4-165.70114S294 P295S294-K297 PolarHBondContact O-N 2.88Å; S294-K297 VanDerWaalsContact O-N 3.09Å; P295-K297 VanDerWaalsContact C-N 3.28Å; P295-K297 PolarHBondContact O-N 2.94Å
298K51.6Low60.9Low143 Ų14397.3 Ų97.362%0.62252%0.52SS*.Hα-helixtrans-93-31.4169-64.4-170.8174.3-169.80112.7P295 A296 T300 H301 V302P295-K298 WeakPolarHBondContact O-CB 3.49Å; P295-K298 PolarHBondContact O-N 3.47Å; A296-K298 PolarHBondContact O-N 3.35Å; A296-K298 VanDerWaalsContact O-N 3.11Å; K298-T300 VanDerWaalsContact C-N 3.34Å; K298-T300 PolarHBondContact O-N 2.88Å; K298-H301 PolarHBondContact O-N 2.9Å; K298-V302 PolarHBondContact O-N 3.33Å; K298-V302 VanDerWaalsContact O-N 3.17Å
299L51.2Low58.7Low109 Ų109101.1 Ų101.157%0.57155%0.55SS**Hα-helixtrans-62.2-43.6-179-121.5165.8000110.7P295 A296 H301 V302 L303P295-L299 PolarHBondContact O-N 2.89Å; A296-L299 WeakPolarHBondContact O-CB 3.36Å; A296-L299 PolarHBondContact O-N 3.37Å; L299-H301 VanDerWaalsContact C-N 3.27Å; L299-H301 PolarHBondContact O-N 3Å; L299-V302 PolarHBondContact O-N 3.41Å; L299-V302 VanDerWaalsContact O-N 3.17Å; L299-L303 HydrophobicContact CD2-CD1 3.83Å; L299-L303 HydrophobicContact CD2-CG 3.94Å; L299-L303 WeakPolarHBondContact O-CB 3.49Å; L299-L303 WeakPolarHBondContact O-CG 3.36Å; L299-L303 PolarHBondContact O-N 3.29Å
300T52.8Low56.5Low100 Ų100101.6 Ų101.661%0.61357%0.57SS**Hα-helixtrans-54-41174.1-32.50000112.8A296 K298 S304A296-T300 PolarHBondContact O-OG1 3.28Å; K298-T300 VanDerWaalsContact C-N 3.34Å; K298-T300 PolarHBondContact O-N 2.88Å; T300-S304 WeakPolarHBondContact O-CB 3.48Å; T300-S304 PolarHBondContact O-N 2.87Å; T300-S304 PolarHBondContact O-OG 2.88Å
301H48.5Very low53.9Low129 Ų129104 Ų10460%0.59759%0.589SS**Hα-helixtrans-82.1-16.1-176.1-157.2-40.6000113.5K298 L299 S304K298-H301 PolarHBondContact O-N 2.9Å; L299-H301 VanDerWaalsContact C-N 3.27Å; L299-H301 PolarHBondContact O-N 3Å; H301-S304 PolarHBondContact O-OG 2.98Å
302V48.4Very low51.6Low92 Ų92106.9 Ų106.956%0.55861%0.609SS**Hα-helixtrans-86.7-45.8169177.20000109.8K298 L299 S304 K305 S306K298-V302 PolarHBondContact O-N 3.33Å; K298-V302 VanDerWaalsContact O-N 3.17Å; L299-V302 PolarHBondContact O-N 3.41Å; L299-V302 VanDerWaalsContact O-N 3.17Å; V302-S304 VanDerWaalsContact C-N 3.33Å; V302-S304 PolarHBondContact O-N 3.49Å; V302-K305 PolarHBondContact O-N 3.22Å; V302-K305 VanDerWaalsContact O-N 3.12Å; V302-S306 PolarHBondContact O-N 3.47Å; V302-S306 PolarHBondContact O-OG 3.15Å
303L48.8Very low49.3Very low85 Ų85114.3 Ų114.345%0.44564%0.637SS.*Hα-helixtrans-61.1-38178.1-71.5175.1000112.7L299 K305 S306 L307L299-L303 HydrophobicContact CD2-CD1 3.83Å; L299-L303 HydrophobicContact CD2-CG 3.94Å; L299-L303 WeakPolarHBondContact O-CB 3.49Å; L299-L303 WeakPolarHBondContact O-CG 3.36Å; L299-L303 PolarHBondContact O-N 3.29Å; L303-K305 VanDerWaalsContact C-N 3.33Å; L303-K305 PolarHBondContact O-N 3.05Å; L303-S306 PolarHBondContact O-N 3.34Å; L303-S306 VanDerWaalsContact O-N 3.1Å; L303-L307 HydrophobicContact CB-CD1 4.48Å; L303-L307 WeakPolarHBondContact O-CB 3.4Å; L303-L307 VanDerWaalsContact O-CG 3.3Å; L303-L307 WeakPolarHBondContact O-CG 3.49Å; L303-L307 PolarHBondContact O-N 3.41Å
304S52.4Low47.4Very low61 Ų61115.2 Ų115.243%0.42764%0.644SS.*Hα-helixtrans-58.2-44.4173.660.90000112T300 H301 V302 S306 L307 S308T300-S304 WeakPolarHBondContact O-CB 3.48Å; T300-S304 PolarHBondContact O-N 2.87Å; T300-S304 PolarHBondContact O-OG 2.88Å; H301-S304 PolarHBondContact O-OG 2.98Å; V302-S304 VanDerWaalsContact C-N 3.33Å; V302-S304 PolarHBondContact O-N 3.49Å; S304-S306 VanDerWaalsContact C-N 3.35Å; S304-S306 PolarHBondContact O-N 3.38Å; S304-L307 PolarHBondContact O-N 3.4Å; S304-S308 PolarHBondContact O-N 2.99Å; S304-S308 PolarHBondContact O-OG 2.98Å; S304-S308 VanDerWaalsContact O-OG 3.09Å
305K47.8Very low46.8Very low161 Ų161118.3 Ų118.370%0.766%0.663SS**Hα-helixtrans-70.2-25.5174.3-74.8-166.1171.1-1710114V302 L303V302-K305 PolarHBondContact O-N 3.22Å; V302-K305 VanDerWaalsContact O-N 3.12Å; L303-K305 VanDerWaalsContact C-N 3.33Å; L303-K305 PolarHBondContact O-N 3.05Å
306S49.8Very low45.6Very low74 Ų74122.3 Ų122.352%0.51768%0.679SS.*Hα-helixtrans-79.9-30.7175.6-59.40000113.6V302 L303 S304V302-S306 PolarHBondContact O-N 3.47Å; V302-S306 PolarHBondContact O-OG 3.15Å; L303-S306 PolarHBondContact O-N 3.34Å; L303-S306 VanDerWaalsContact O-N 3.1Å; S304-S306 VanDerWaalsContact C-N 3.35Å; S304-S306 PolarHBondContact O-N 3.38Å
307L44.3Very low44.9Very low122 Ų122127.7 Ų127.764%0.63969%0.693SS**Hα-helixtrans-92.4-20.6-174.1-65.9171.6000113.5L303 S304 C309 A310L303-L307 HydrophobicContact CB-CD1 4.48Å; L303-L307 WeakPolarHBondContact O-CB 3.4Å; L303-L307 VanDerWaalsContact O-CG 3.3Å; L303-L307 WeakPolarHBondContact O-CG 3.49Å; L303-L307 PolarHBondContact O-N 3.41Å; S304-L307 PolarHBondContact O-N 3.4Å; L307-C309 PolarHBondContact O-N 3.14Å; L307-A310 PolarHBondContact O-N 3.34Å
308S41.3Very low43.9Very low103 Ų103124.7 Ų124.772%0.7269%0.692SS**THydrogen-bonded Turntrans-63.1-4.7173-65.30000115.2S304S304-S308 PolarHBondContact O-N 2.99Å; S304-S308 PolarHBondContact O-OG 2.98Å; S304-S308 VanDerWaalsContact O-OG 3.09Å
309C49.1Very low43.1Very low120 Ų120126.2 Ų126.281%0.81170%0.703SS**THydrogen-bonded Turntrans-89.45.9174.1-65.60000114.2L307L307-C309 PolarHBondContact O-N 3.14Å
310A46.4Very low42.6Very low86 Ų86129.4 Ų129.471%0.71171%0.713SS**SBendtrans-127.337.2-169.700000115.3L307L307-A310 PolarHBondContact O-N 3.34Å
311S38.8Very low42.1Very low117 Ų117130.3 Ų130.382%0.81872%0.72SS**SBendtrans-151143.8159.5-167.50000112
312S39.9Very low41.8Very low119 Ų119132.1 Ų132.183%0.83273%0.734SS**  trans70.381.3-176.3-159.20000117.4
313R33.3Very low41.3Very low247 Ų247136.1 Ų136.193%0.93275%0.749SS**  trans-157.7114.6136.1-120.9177.7-175.9-173.70.5111.8
314E31.5Very low41Very low182 Ų182137.5 Ų137.585%0.8576%0.763SS**  trans-80.3144.9168.2-162.5162.2-156.600109.3
315P46.1Very low40.6Very low120 Ų120143.9 Ų143.978%0.77979%0.786SS**  trans-84.5130.8-160.931.2-34.8000113.8
316L31.2Very low40.3Very low165 Ų165145.8 Ų145.886%0.86479%0.794SS**  trans-130.9158.4169.8-70.9175.2000111.3
317H37.5Very low40.1Very low173 Ų173147.7 Ų147.780%0.80181%0.805SS**PPolyproline II helixtrans-69.7154.2-155.7-64.1-48.2000116.6M319H317-M319 PolarHBondContact O-N 3.29Å
318P32.5Very low40.1Very low110 Ų110149.6 Ų149.671%0.71482%0.815SS**PPolyproline II helixtrans-70122.6167.830.1-33.7000110.9
319M34Very low40.3Very low176 Ų176151.5 Ų151.587%0.86782%0.817SS**PPolyproline II helixtrans-101128.4167.7-73.3-101.553.700109.2H317H317-M319 PolarHBondContact O-N 3.29Å
320F40Very low40.2Very low176 Ų176152.4 Ų152.477%0.77281%0.813SS**PPolyproline II helixtrans-79.8150.4174.5-75.9-99000110.5
321P42.5Very low40.2Very low118 Ų118151 Ų15177%0.76680%0.801SS**PPolyproline II helixtrans-65.3141.7172.3-19.432.6000112.2M323P321-M323 PolarHBondContact O-N 3.44Å
322D42.6Very low40.6Very low167 Ų167154 Ų15489%0.89380%0.802SS**SBendtrans-74.2123.4171.9-84.6-52.7000111.5
323M38Very low40.6Very low177 Ų177154.1 Ų154.187%0.87280%0.797SS**SBendtrans70.5150.4-179.7-71.6-170.658.900117.9P321P321-M323 PolarHBondContact O-N 3.44Å
324P42.4Very low40.7Very low113 Ų113148.1 Ų148.173%0.73479%0.788SS**  trans-114.2142.3-153.338-26.1000114.8
325E42.8Very low40.7Very low195 Ų195145 Ų14591%0.91178%0.783SS**PPolyproline II helixtrans-70142.6161.9-66-162.8146.700111.1
326K41.9Very low40.2Very low201 Ų201145.3 Ų145.387%0.87479%0.785SS**PPolyproline II helixtrans-84.3128.2-169.7-150.9168.5-173.2174.40110
327P46.5Very low40.2Very low114 Ų114149 Ų14974%0.7479%0.788SS**PPolyproline II helixtrans-67.5139.6-164.424.6-34.9000113.7N329P327-N329 PolarHBondContact O-N 3.43Å
328L44.4Very low40.4Very low163 Ų163146 Ų14685%0.85378%0.784SS**PPolyproline II helixtrans-60.9121.1166.6-91.9162.3000109.9L330L328-L330 PolarHBondContact O-N 2.91Å; L328-L330 VanDerWaalsContact O-N 3.14Å
329N45.3Very low40.2Very low142 Ų142146.6 Ų146.676%0.75979%0.785SS**  trans-79.5100.1-174.8-170-11.8000110.9P327 A331P327-N329 PolarHBondContact O-N 3.43Å; N329-A331 VanDerWaalsContact C-N 3.28Å; N329-A331 PolarHBondContact O-N 3.02Å; N329-A331 VanDerWaalsContact OD1-CB 3.26Å; N329-A331 WeakPolarHBondContact OD1-CB 3.19Å; N329-A331 PolarHBondContact OD1-N 3.35Å; N329-A331 VanDerWaalsContact OD1-N 3.15Å
330L47.3Very low39.9Very low140 Ų140144.8 Ų144.873%0.73378%0.779SS**  trans-88.621.5179.4-78.4162000113.9L328 H332 V333L328-L330 PolarHBondContact O-N 2.91Å; L328-L330 VanDerWaalsContact O-N 3.14Å; L330-H332 PolarHBondContact O-N 3.35Å; L330-V333 HydrophobicContact CD2-CG2 4.32Å
331A45.3Very low39.4Very low55 Ų55142.9 Ų142.946%0.45578%0.776SS.*THydrogen-bonded Turntrans-56.8128.8169.900000110.7N329N329-A331 VanDerWaalsContact C-N 3.28Å; N329-A331 PolarHBondContact O-N 3.02Å; N329-A331 VanDerWaalsContact OD1-CB 3.26Å; N329-A331 WeakPolarHBondContact OD1-CB 3.19Å; N329-A331 PolarHBondContact OD1-N 3.35Å; N329-A331 VanDerWaalsContact OD1-N 3.15Å
332H48.1Very low38.8Very low182 Ų182142.6 Ų142.684%0.84377%0.772SS**THydrogen-bonded Turntrans82.319.5172.7-40.7-59.9000118.8L330 V334L330-H332 PolarHBondContact O-N 3.35Å; H332-V334 PolarHBondContact O-N 3.39Å
333V39.3Very low38.2Very low121 Ų121141 Ų14173%0.73376%0.763SS**  trans-84.482.9157.7-1730000110.3L330L330-V333 HydrophobicContact CD2-CG2 4.32Å
334V35.4Very low37.9Very low120 Ų120138.4 Ų138.473%0.72775%0.753SS**  trans-116.8131.3165.8176.50000107.6H332H332-V334 PolarHBondContact O-N 3.39Å
335P32.3Very low37.3Very low117 Ų117142.9 Ų142.976%0.7676%0.757SS**  trans-72.1130.8-171.827.7-35000112.4
336P34.3Very low36.9Very low126 Ų126137.4 Ų137.482%0.81874%0.74SS**  trans-85.3145.5-179.832.8-34.6000113.6
337R31.1Very low36.4Very low242 Ų242135.3 Ų135.391%0.91374%0.737SS**  trans-140142.9154.7-78.5-174.8174.4-174.1-0.5107.5
338P41.9Very low35.6Very low112 Ų112133.9 Ų133.973%0.72773%0.73SS**  cis-131.9-169.6-47.125.7-3.8000111.8
339V29.2Very low35Very low122 Ų122134.1 Ų134.174%0.73973%0.726SS**  trans90.7126.7155.3-161.70000119.5
340N26.7Very low34.3Very low138 Ų138132.6 Ų132.674%0.73873%0.727SS**  trans89.6122.2150.1-87-2000125.4
341I29.4Very low33.5Very low136 Ų136134.6 Ų134.670%0.69774%0.735SS**  95.5102.9129.9-69.4168.3000121.6
342T30.1Very low33.8Very low112 Ų112137.2 Ų137.269%0.68775%0.747SS**  trans63.9127.4141.460.80000125.9
343N31Very low32.9Very low133 Ų133135 Ų13571%0.71175%0.747SS**  trans62.9155.9134.2-62.350000120.4
344D30.6Very low32.6Very low122 Ų122135.4 Ų135.465%0.65275%0.754SS**  cis-165.2158.6-8.8-116.8-34.9000112.5
345Y31.2Very low32.1Very low208 Ų208133.1 Ų133.182%0.81676%0.755SS**  trans50.5160.4151.1-91.7-125.7000122.7
346S32.6Very low31.8Very low79 Ų79135.3 Ų135.355%0.55276%0.761SS**  cis-179.6154.3-24-101.40000114.7
347L31.7Very low32.3Very low158 Ų158133.7 Ų133.783%0.82775%0.75SS**  trans66.3164.9149.8-65.5168.9000121.2
348S30.5Very low32.1Very low83 Ų83132.8 Ų132.858%0.5875%0.748SS**  cis-179.5164.2-23.959.10000116.9
349H32.1Very low31.3Very low168 Ų168133 Ų13378%0.77875%0.752SS**  trans89.2127.5142.7-75.7-55.4000128.1
350S30.7Very low31.1Very low110 Ų110133.4 Ų133.477%0.76976%0.755SS**  trans91.3162.8132-61.50000126.3
351M30.2Very low31.1Very low183 Ų183136.6 Ų136.690%0.90176%0.763SS**  trans-150.8-163-171.5-61.1-167.1173.500111.6
352P50.5Low30.8Very low110 Ų110137.4 Ų137.471%0.71477%0.768SS**  cis-146.1-146.82.742.5-16.8000117.3
353T29.8Very low30.5Very low136 Ų136140.1 Ų140.183%0.83477%0.773SS**  trans89.6162.6167.272.40000120.5
354S32.4Very low30.2Very low128 Ų128139.9 Ų139.990%0.89577%0.772SS**  cis-176.1163.7-33.2-173.70000113
355G25Very low29.9Very low73 Ų73140.1 Ų140.175%0.75377%0.773SS**  trans158.3160.7169.800000120.4
356N25.8Very low29.5Very low163 Ų163136.7 Ų136.787%0.87277%0.769SS**  trans-174.3-168.6178.6-134.7-22.2000111.2
357P46.7Very low29.1Very low91 Ų91137.6 Ų137.659%0.59178%0.781SS**  cis-140.4-164.4-23.532.4-6.3000117.1
358Y26.8Very low28.7Very low224 Ų224133.7 Ų133.788%0.87878%0.779SS**  trans86.2130.5159-75.4-69.6000125.2
359S24.2Very low28.5Very low116 Ų116139.4 Ų139.481%0.81180%0.796SS**  158.2173.6111.8-158.40000115.6
360T25.5Very low28.1Very low131 Ų131140.5 Ų140.580%0.80480%0.799SS**  trans-140156-165.3600000116.5
361K25.4Very low27.8Very low205 Ų205144.8 Ų144.889%0.89180%0.804SS**  trans-170.7174.7147.7-116.2172.7-176.8178.40116.7
362N23.4Very low27.4Very low152 Ų152140.8 Ų140.881%0.81379%0.794SS**  trans-117.5175.2-166.9-62.5-24000114.8
363Q24.7Very low26.2Very low169 Ų169146 Ų14679%0.7980%0.799SS**  trans119.3112.9135.4-85-177.5-18.800121.4
364N23.8Very low26Very low128 Ų128149 Ų14968%0.68480%0.801SS**  67.7124.1123.5-68.827.4000125
365N24.6Very low25.7Very low128 Ų128146.2 Ų146.268%0.68479%0.793SS**  106.4138.4119.1-88.447.5000124.8
366D23.4Very low25.7Very low136 Ų136149.5 Ų149.573%0.72780%0.798SS**  trans86.498.1142-75.8-51.8000125.3
367A23.8Very low26.3Very low98 Ų98146.2 Ų146.281%0.8179%0.793SS**  69.6129.6111.100000124.1
368G23.8Very low26Very low75 Ų75147 Ų14777%0.77380%0.798SS**  trans114.9148159.900000114.9
369Q25.3Very low26.2Very low203 Ų203143.3 Ų143.395%0.94979%0.789SS**  cis-156176.7-8.5-131.7-177.431.100111.7
370K24.1Very low26.4Very low192 Ų192145.4 Ų145.484%0.83579%0.791SS**  trans-91.5147.1-167-63170.5175.5172.60115.8
371K23.6Very low27Very low200 Ų200144.5 Ų144.587%0.8778%0.78SS**  trans160.5135.7137.9-90.9157.1-172.9176.60109.1
372S22.9Very low27.3Very low98 Ų98144 Ų14469%0.68578%0.778SS**  cis64.7112.927.1-153.70000113.3
373R24.2Very low27.4Very low221 Ų221140.4 Ų140.483%0.83478%0.777SS**  -164.7156.863.3-140.8161.9-172.3-172.12.6112.3
374F25.7Very low27.7Very low197 Ų197142.7 Ų142.786%0.86478%0.784SS**  trans1.3140.3150.2-62.6-119.6000117.8
375G26.9Very low28Very low71 Ų71140.5 Ų140.573%0.73279%0.791SS**  cis114.6131.91400000111.8
376V24.5Very low28.1Very low141 Ų141142.1 Ų142.186%0.85580%0.799SS**  trans-144.2130.9179167.40000111.8P378V376-P378 HydrophobicContact CG1-CG 4.39Å
377A39.7Very low28.3Very low94 Ų94145.2 Ų145.278%0.77781%0.806SS**  trans-151.8122.516000000109.9
378P39.5Very low28.6Very low108 Ų108150.1 Ų150.170%0.70181%0.805SS**  trans-135.5160.2171.235.8-19.9000114V376V376-P378 HydrophobicContact CG1-CG 4.39Å
379Q31.4Very low29Very low146 Ų146152.8 Ų152.868%0.68280%0.802SS**  cis-175155.3-29.1-131.7177.17400108.8L381Q379-L381 HydrophobicContact CG-CD1 4.29Å; Q379-L381 HydrophobicContact CG-CG 4.42Å; Q379-L381 VanDerWaalsContact OE1-CD1 3.26Å
380L28.2Very low29.6Very low161 Ų161150.8 Ų150.884%0.84380%0.797SS**  trans153.3108.6148.9-84.9163.1000107.3
381L38.5Very low30.1Very low112 Ų112148.3 Ų148.359%0.58679%0.792SS**  cis72.5143.245.7-52.8-178.7000113Q379Q379-L381 HydrophobicContact CG-CD1 4.29Å; Q379-L381 HydrophobicContact CG-CG 4.42Å; Q379-L381 VanDerWaalsContact OE1-CD1 3.26Å
382K30.4Very low30.8Very low194 Ų194141.8 Ų141.884%0.84377%0.77SS**  cis-163.2153.217.3-144.8165-174.4170.90112.3
383G25.8Very low31.5Very low76 Ų76140.1 Ų140.178%0.78476%0.761SS**  trans-169.378.717200000116.3
384K31.2Very low32.2Very low218 Ų218137 Ų13795%0.94876%0.761SS**  trans12.4122.1167.1-56.5176.4-175.8176.50118.4
385G30.2Very low33.2Very low81 Ų81135.9 Ų135.984%0.83575%0.751SS**  cis157.471.21.600000115.1
386L27.9Very low34Very low162 Ų162137.2 Ų137.285%0.84874%0.741SS**  trans-130.9142.4161.6-93.5160.5000107.8
387K27.7Very low35.1Very low202 Ų202135.1 Ų135.188%0.87874%0.739SS**  trans-110130-174.6-74.9-174.9175.6-176.70111.5
388Y28.1Very low35.6Very low200 Ų200134.3 Ų134.378%0.78472%0.721SS**  trans-116.8153.3159.7-69.8-79.5000109.6
389N32.4Very low36Very low132 Ų132136.2 Ų136.271%0.70672%0.721SS**  trans-81.3149.5-178.4-73.2-47.2000111.3D391 V392N389-D391 PolarHBondContact O-N 3.44Å; N389-D391 VanDerWaalsContact O-N 3.15Å; N389-V392 WeakPolarHBondContact O-CB 3.33Å; N389-V392 PolarHBondContact O-N 2.93Å
390L37.7Very low36.7Very low161 Ų161136.1 Ų136.184%0.84372%0.72SS**G310 helixtrans-60.4-27.3-176.5-156.469.1000113V392 A393L390-V392 PolarHBondContact O-N 3.25Å; L390-V392 VanDerWaalsContact O-N 3.13Å; L390-A393 WeakPolarHBondContact O-CB 3.48Å; L390-A393 PolarHBondContact O-N 3.22Å
391D36.3Very low38Very low139 Ų139131.1 Ų131.174%0.74370%0.696SS**G310 helixtrans-61-14.2175.1-15158.2000114.2N389N389-D391 PolarHBondContact O-N 3.44Å; N389-D391 VanDerWaalsContact O-N 3.15Å
392V38.2Very low38.8Very low64 Ų64130.6 Ų130.639%0.38869%0.693SS.*G310 helixtrans-87-25.7175.7-175.80000111.8N389 L390 D394 R395 L396N389-V392 WeakPolarHBondContact O-CB 3.33Å; N389-V392 PolarHBondContact O-N 2.93Å; L390-V392 PolarHBondContact O-N 3.25Å; L390-V392 VanDerWaalsContact O-N 3.13Å; V392-D394 VanDerWaalsContact C-N 3.33Å; V392-D394 PolarHBondContact O-N 3.35Å; V392-R395 CarbonylContact O-C 3.57Å; V392-R395 PolarHBondContact O-N 2.67Å; V392-L396 HydrophobicContact CG1-CD1 4.06Å; V392-L396 HydrophobicContact CG1-CG 4.18Å; V392-L396 WeakPolarHBondContact O-CG 3.5Å; V392-L396 PolarHBondContact O-N 3.35Å
393A36.8Very low40.2Very low62 Ų62126.3 Ų126.351%0.51268%0.678SS.*G310 helixtrans-62.1-41.1-177.600000111.9L390 R395 L396L390-A393 WeakPolarHBondContact O-CB 3.48Å; L390-A393 PolarHBondContact O-N 3.22Å; A393-R395 PolarHBondContact O-N 3.18Å; A393-L396 PolarHBondContact O-N 2.88Å
394D39.5Very low41.8Very low155 Ų155124.6 Ų124.683%0.82966%0.661SS**G310 helixtrans-69.4-11.5177.7-137.945.8000113.1V392V392-D394 VanDerWaalsContact C-N 3.33Å; V392-D394 PolarHBondContact O-N 3.35Å
395R45.8Very low42.8Very low175 Ų175119.1 Ų119.166%0.6664%0.642SS**G310 helixtrans-109.94.3178.3-51.3-158.574.4-142-4.1113.8V392 A393V392-R395 CarbonylContact O-C 3.57Å; V392-R395 PolarHBondContact O-N 2.67Å; A393-R395 PolarHBondContact O-N 3.18Å
396L44.8Very low43.9Very low98 Ų98122.6 Ų122.651%0.51363%0.631SS.*SBendtrans-93.32.5177.4-81.4167000113.8V392 A393 D398V392-L396 HydrophobicContact CG1-CD1 4.06Å; V392-L396 HydrophobicContact CG1-CG 4.18Å; V392-L396 WeakPolarHBondContact O-CG 3.5Å; V392-L396 PolarHBondContact O-N 3.35Å; A393-L396 PolarHBondContact O-N 2.88Å; L396-D398 VanDerWaalsContact C-N 3.3Å
397A47.1Very low45.6Very low98 Ų98118 Ų11881%0.8161%0.61SS**SBendtrans-830.6173.100000114.2
398D49.3Very low46.8Very low76 Ų76112.6 Ų112.641%0.40659%0.59SS.*  trans-108.9113.3-179.6-175.6-4.2000111L396 H400 V401L396-D398 VanDerWaalsContact C-N 3.3Å; D398-H400 PolarHBondContact O-N 3.12Å; D398-H400 VanDerWaalsContact O-N 3.15Å; D398-H400 WeakPolarHBondContact OD1-CB 3.31Å; D398-H400 IonicContact OD1-CE1 2.73Å; D398-H400 IonicContact OD1-CG 3.75Å; D398-H400 PolarHBondContact OD1-N 3.34Å; D398-H400 VanDerWaalsContact OD1-N 3.12Å; D398-H400 IonicContact OD1-ND1 3.06Å; D398-H400 PolarHBondContact OD1-ND1 3.13Å; D398-V401 HydrophobicContact CB-CG2 4.12Å; D398-V401 WeakPolarHBondContact O-CB 3.41Å; D398-V401 PolarHBondContact O-N 3.34Å
399E48.2Very low48.1Very low149 Ų149108.7 Ų108.770%0.69658%0.582SS**Hα-helixtrans-57.1-29.7-177.7-59.6-173.7148.100112.8V401 L402 I403E399-V401 VanDerWaalsContact C-N 3.29Å; E399-V401 PolarHBondContact O-N 3.36Å; E399-L402 WeakPolarHBondContact O-CB 3.46Å; E399-L402 PolarHBondContact O-N 2.97Å; E399-I403 WeakPolarHBondContact O-CG1 3.29Å; E399-I403 PolarHBondContact O-N 2.98Å
400H45.7Very low49.1Very low144 Ų144108.6 Ų108.667%0.66758%0.581SS**Hα-helixtrans-66.4-32.1179.6-56.488.4000112.2D398 G404D398-H400 PolarHBondContact O-N 3.12Å; D398-H400 VanDerWaalsContact O-N 3.15Å; D398-H400 WeakPolarHBondContact OD1-CB 3.31Å; D398-H400 IonicContact OD1-CE1 2.73Å; D398-H400 IonicContact OD1-CG 3.75Å; D398-H400 PolarHBondContact OD1-N 3.34Å; D398-H400 VanDerWaalsContact OD1-N 3.12Å; D398-H400 IonicContact OD1-ND1 3.06Å; D398-H400 PolarHBondContact OD1-ND1 3.13Å; H400-G404 PolarHBondContact O-N 2.85Å
401V56.7Low49.9Very low56 Ų56107.2 Ų107.234%0.33957%0.57SS.*Hα-helixtrans-70.7-39175.3-177.80000110.2D398 E399 G404 L405D398-V401 HydrophobicContact CB-CG2 4.12Å; D398-V401 WeakPolarHBondContact O-CB 3.41Å; D398-V401 PolarHBondContact O-N 3.34Å; E399-V401 VanDerWaalsContact C-N 3.29Å; E399-V401 PolarHBondContact O-N 3.36Å; V401-G404 PolarHBondContact O-N 3.08Å; V401-L405 HydrophobicContact CG1-CD1 4.41Å; V401-L405 WeakPolarHBondContact O-CG 3.07Å; V401-L405 PolarHBondContact O-N 3.3Å
402L54.3Low50.1Low100 Ų100106 Ų10652%0.52456%0.564SS.*Hα-helixtrans-66.9-42.9177.5-170.864.9000111.8E399 L405 Y406E399-L402 WeakPolarHBondContact O-CB 3.46Å; E399-L402 PolarHBondContact O-N 2.97Å; L402-L405 PolarHBondContact O-N 2.92Å; L402-Y406 PolarHBondContact O-N 2.98Å
403I60.3Low50.4Low104 Ų104107.2 Ų107.253%0.53358%0.575SS.*Hα-helixtrans-62.6-44.1173.4-66.7165.2000110.5E399 L405 Y406 V407E399-I403 WeakPolarHBondContact O-CG1 3.29Å; E399-I403 PolarHBondContact O-N 2.98Å; I403-L405 VanDerWaalsContact C-N 3.33Å; I403-L405 PolarHBondContact O-N 3.34Å; I403-Y406 PolarHBondContact O-N 3.38Å; I403-Y406 VanDerWaalsContact O-N 3.15Å; I403-V407 HydrophobicContact CG2-CG2 4.45Å; I403-V407 WeakPolarHBondContact O-CG2 3.39Å; I403-V407 PolarHBondContact O-N 3.23Å
404G59.6Low50.9Low41 Ų41109.1 Ų109.142%0.42358%0.582SS.*Hα-helixtrans-58.6-41.6176.300000113.2H400 V401 N408H400-G404 PolarHBondContact O-N 2.85Å; V401-G404 PolarHBondContact O-N 3.08Å; G404-N408 WeakPolarHBondContact O-CB 3.41Å; G404-N408 PolarHBondContact O-N 3.47Å; G404-N408 VanDerWaalsContact O-N 3.08Å
405L52.4Low51.1Low102 Ų102113.5 Ų113.553%0.53459%0.587SS.*Hα-helixtrans-64.5-41.9173.6-73.8166.8000112.1V401 L402 I403 N408 L409V401-L405 HydrophobicContact CG1-CD1 4.41Å; V401-L405 WeakPolarHBondContact O-CG 3.07Å; V401-L405 PolarHBondContact O-N 3.3Å; L402-L405 PolarHBondContact O-N 2.92Å; I403-L405 VanDerWaalsContact C-N 3.33Å; I403-L405 PolarHBondContact O-N 3.34Å; L405-N408 PolarHBondContact O-N 3.13Å; L405-L409 PolarHBondContact O-N 3.25Å
406Y52.8Low50.7Low154 Ų154110.7 Ų110.760%0.60459%0.594SS**Hα-helixtrans-63.3-44.2177.6-121.1-82000112.6L402 I403 N408 L409 L410L402-Y406 PolarHBondContact O-N 2.98Å; I403-Y406 PolarHBondContact O-N 3.38Å; I403-Y406 VanDerWaalsContact O-N 3.15Å; Y406-N408 VanDerWaalsContact C-N 3.32Å; Y406-N408 PolarHBondContact O-N 3.12Å; Y406-L409 WeakPolarHBondContact O-CB 3.18Å; Y406-L409 PolarHBondContact O-N 3.1Å; Y406-L410 WeakPolarHBondContact O-CG 3.28Å; Y406-L410 PolarHBondContact O-N 2.99Å; Y406-L410 VanDerWaalsContact O-N 3.07Å
407V63.3Low50.1Low67 Ų67112 Ų11241%0.40661%0.61SS.*Hα-helixtrans-62.5-40.1175.6172.30000111I403 L410 Q411I403-V407 HydrophobicContact CG2-CG2 4.45Å; I403-V407 WeakPolarHBondContact O-CG2 3.39Å; I403-V407 PolarHBondContact O-N 3.23Å; V407-L410 PolarHBondContact O-N 3.47Å; V407-Q411 WeakPolarHBondContact O-CG 3.28Å; V407-Q411 PolarHBondContact O-N 3.23Å
408N53.5Low49.8Very low87 Ų87115.5 Ų115.547%0.46561%0.614SS.*Hα-helixtrans-67-36.6176.5-147.2-95000112.1G404 L405 Y406 Q411 N412G404-N408 WeakPolarHBondContact O-CB 3.41Å; G404-N408 PolarHBondContact O-N 3.47Å; G404-N408 VanDerWaalsContact O-N 3.08Å; L405-N408 PolarHBondContact O-N 3.13Å; Y406-N408 VanDerWaalsContact C-N 3.32Å; Y406-N408 PolarHBondContact O-N 3.12Å; N408-Q411 PolarHBondContact O-N 2.72Å; N408-N412 WeakPolarHBondContact O-CB 3.13Å; N408-N412 PolarHBondContact O-N 3.38Å; N408-N412 VanDerWaalsContact O-N 3.13Å; N408-N412 PolarHBondContact O-ND2 3.45Å; N408-N412 PolarHBondContact OD1-ND2 3.32Å
409L55.8Low49.4Very low118 Ų118119.5 Ų119.562%0.61864%0.635SS**Hα-helixtrans-63.9-41.6176.2-156.478.2000112.1L405 Y406 S413L405-L409 PolarHBondContact O-N 3.25Å; Y406-L409 WeakPolarHBondContact O-CB 3.18Å; Y406-L409 PolarHBondContact O-N 3.1Å; L409-S413 PolarHBondContact O-OG 3.12Å
410L53Low48.5Very low130 Ų130118.7 Ų118.768%0.68163%0.631SS**Hα-helixtrans-66.9-40.2176.3-70.2167.5000112.3Y406 V407 N412Y406-L410 WeakPolarHBondContact O-CG 3.28Å; Y406-L410 PolarHBondContact O-N 2.99Å; Y406-L410 VanDerWaalsContact O-N 3.07Å; V407-L410 PolarHBondContact O-N 3.47Å; L410-N412 PolarHBondContact O-N 2.77Å
411Q54Low48Very low133 Ų133118.2 Ų118.262%0.62164%0.644SS**Hα-helixtrans-68.1-31.9178.2-74.3174.3-6.600113.2V407 N408 S413V407-Q411 WeakPolarHBondContact O-CG 3.28Å; V407-Q411 PolarHBondContact O-N 3.23Å; N408-Q411 PolarHBondContact O-N 2.72Å; Q411-S413 PolarHBondContact O-N 3.07Å
412N41.3Very low47.2Very low114 Ų114120.2 Ų120.261%0.6166%0.661SS**THydrogen-bonded Turntrans-85.21.4-177.5-73.8-55.7000114.9N408 L410 P414N408-N412 WeakPolarHBondContact O-CB 3.13Å; N408-N412 PolarHBondContact O-N 3.38Å; N408-N412 VanDerWaalsContact O-N 3.13Å; N408-N412 PolarHBondContact O-ND2 3.45Å; N408-N412 PolarHBondContact OD1-ND2 3.32Å; L410-N412 PolarHBondContact O-N 2.77Å; N412-P414 VanDerWaalsContact O-CD 3.24Å; N412-P414 WeakPolarHBondContact O-CD 3.41Å
413S43.7Very low46.8Very low88 Ų88119 Ų11962%0.61566%0.655SS**  trans-115.253.2-178.1-57.30000114.8L409 Q411 R415L409-S413 PolarHBondContact O-OG 3.12Å; Q411-S413 PolarHBondContact O-N 3.07Å; S413-R415 PolarHBondContact O-N 2.98Å
414P48.5Very low46.2Very low103 Ų103120.4 Ų120.467%0.66966%0.658SS**  trans-80.180.8-174.434.8-37.5000113.2N412N412-P414 VanDerWaalsContact O-CD 3.24Å; N412-P414 WeakPolarHBondContact O-CD 3.41Å
415R43.1Very low45.6Very low246 Ų246125.5 Ų125.593%0.92867%0.671SS**  trans16093.5149.7-88.3154.6-174.3-168.82.7111.9S413S413-R415 PolarHBondContact O-N 2.98Å
416S37.7Very low45.5Very low117 Ų117126.3 Ų126.382%0.81868%0.676SS**SBendtrans-170.270.8144.7-160.40000111
417C32.7Very low45.5Very low125 Ų125125.1 Ų125.185%0.84568%0.676SS**SBendtrans-155.624.5-175.1-152.30000114.7
418L39.3Very low45.2Very low172 Ų172127.3 Ų127.390%0.90168%0.682SS**SBendtrans-140.1-5.3-174.7-82.7179.5000117.6
419L40.8Very low45.5Very low160 Ų160128.6 Ų128.684%0.83869%0.685SS**SBendtrans-160.865-178.6-153.493.5000116.7
420E30.5Very low45.9Very low131 Ų131125.5 Ų125.561%0.61267%0.673SS**  trans-147.336.1175-145.483-128.500114.6S422 N423E420-S422 PolarHBondContact O-N 3.47Å; E420-N423 PolarHBondContact OE1-ND2 3.15Å; E420-N423 VanDerWaalsContact OE1-ND2 3.15Å
421S33.8Very low46.7Very low134 Ų134124.6 Ų124.694%0.93767%0.669SS**THydrogen-bonded Turntrans-76.454.1-178.464.30000114
422S41.6Very low47.2Very low99 Ų99123.4 Ų123.469%0.69267%0.665SS**THydrogen-bonded Turntrans-154.3-24.2173.561.80000116.1E420E420-S422 PolarHBondContact O-N 3.47Å
423N44.8Very low48.4Very low74 Ų74120.8 Ų120.840%0.39666%0.659SS.*  trans-105.5-2.2-164.7-60.5-16.4000114.9E420 Q425 D426 E427E420-N423 PolarHBondContact OE1-ND2 3.15Å; E420-N423 VanDerWaalsContact OE1-ND2 3.15Å; N423-Q425 VanDerWaalsContact C-N 3.3Å; N423-Q425 PolarHBondContact O-N 3.03Å; N423-Q425 VanDerWaalsContact O-N 3.16Å; N423-D426 PolarHBondContact O-N 3.01Å; N423-D426 VanDerWaalsContact O-N 3.12Å; N423-E427 PolarHBondContact O-N 2.94Å
424H47.6Very low49.5Very low133 Ų133123.7 Ų123.762%0.61666%0.657SS**Hα-helixtrans-61.8-31.4-163.9-143.4-52.5000114.8E428H424-E428 PolarHBondContact O-N 2.94Å; H424-E428 VanDerWaalsContact O-N 3.16Å
425Q46.6Very low50.2Low148 Ų148126.1 Ų126.169%0.69265%0.654SS**Hα-helixtrans-72-37.3178.6-70-179-19.500112.3N423 E428 H429N423-Q425 VanDerWaalsContact C-N 3.3Å; N423-Q425 PolarHBondContact O-N 3.03Å; N423-Q425 VanDerWaalsContact O-N 3.16Å; Q425-E428 PolarHBondContact O-N 3.25Å; Q425-H429 WeakPolarHBondContact O-CB 3.42Å; Q425-H429 PolarHBondContact O-N 3.37Å; Q425-H429 PolarHBondContact O-ND1 2.87Å
426D51.7Low51.4Low119 Ų119116.9 Ų116.964%0.63663%0.63SS**Hα-helixtrans-74.6-27.9178.1-75.8-21.1000112N423 H429 S430N423-D426 PolarHBondContact O-N 3.01Å; N423-D426 VanDerWaalsContact O-N 3.12Å; D426-H429 IonicContact OD1-ND1 3.52Å; D426-S430 WeakPolarHBondContact O-CB 3.48Å; D426-S430 PolarHBondContact O-N 3.18Å
427E51.8Low52.7Low130 Ų130114.2 Ų114.261%0.60762%0.615SS**Hα-helixtrans-67.4-44.4168.7-67.6-144.3125.100112.1N423 S430 L431N423-E427 PolarHBondContact O-N 2.94Å; E427-S430 CarbonylContact O-C 3.47Å; E427-S430 PolarHBondContact O-N 2.99Å; E427-L431 WeakPolarHBondContact O-CB 3.48Å; E427-L431 PolarHBondContact O-N 2.67Å
428E57.4Low54.5Low113 Ų113116.8 Ų116.853%0.52861%0.607SS.*Hα-helixtrans-62.9-46.8174.4-73.8-171.7134.600111.7H424 Q425 S430 L431 I432H424-E428 PolarHBondContact O-N 2.94Å; H424-E428 VanDerWaalsContact O-N 3.16Å; Q425-E428 PolarHBondContact O-N 3.25Å; E428-S430 VanDerWaalsContact C-N 3.27Å; E428-S430 PolarHBondContact O-N 2.78Å; E428-L431 WeakPolarHBondContact O-CB 3.48Å; E428-L431 PolarHBondContact O-N 3.26Å; E428-L431 VanDerWaalsContact O-N 3.13Å; E428-I432 WeakPolarHBondContact O-CB 3.32Å; E428-I432 VanDerWaalsContact O-CG1 3.26Å; E428-I432 WeakPolarHBondContact O-CG1 3.44Å; E428-I432 PolarHBondContact O-N 2.83Å
429H58.8Low55.6Low113 Ų113113 Ų11352%0.52359%0.587SS.*Hα-helixtrans-59.8-36.9173.4-66.2141.3000112Q425 D426 A433Q425-H429 WeakPolarHBondContact O-CB 3.42Å; Q425-H429 PolarHBondContact O-N 3.37Å; Q425-H429 PolarHBondContact O-ND1 2.87Å; D426-H429 IonicContact OD1-ND1 3.52Å; H429-A433 WeakPolarHBondContact O-CB 3.28Å; H429-A433 PolarHBondContact O-N 3.25Å
430S65.1Low56.7Low53 Ų53107.9 Ų107.937%0.37157%0.568SS.*Hα-helixtrans-71.7-29.8175.7-1740000113.2D426 E427 E428 R434D426-S430 WeakPolarHBondContact O-CB 3.48Å; D426-S430 PolarHBondContact O-N 3.18Å; E427-S430 CarbonylContact O-C 3.47Å; E427-S430 PolarHBondContact O-N 2.99Å; E428-S430 VanDerWaalsContact C-N 3.27Å; E428-S430 PolarHBondContact O-N 2.78Å; S430-R434 WeakPolarHBondContact O-CB 3.22Å; S430-R434 PolarHBondContact O-N 2.81Å; S430-R434 VanDerWaalsContact O-N 3.12Å; S430-R434 PolarHBondContact O-NE 2.97Å; S430-R434 PolarHBondContact OG-NH2 3.47Å
431L69.2Low58Low112 Ų112104.1 Ų104.159%0.58656%0.559SS**Hα-helixtrans-71.9-48.4172-129.775.6000110.8E427 E428 R434 Y435E427-L431 WeakPolarHBondContact O-CB 3.48Å; E427-L431 PolarHBondContact O-N 2.67Å; E428-L431 WeakPolarHBondContact O-CB 3.48Å; E428-L431 PolarHBondContact O-N 3.26Å; E428-L431 VanDerWaalsContact O-N 3.13Å; L431-R434 PolarHBondContact O-N 3.13Å; L431-Y435 WeakPolarHBondContact O-CB 3.47Å; L431-Y435 PolarHBondContact O-N 3.04Å
432I66.2Low58.9Low108 Ų108101.9 Ų101.955%0.55454%0.536SS*.Hα-helixtrans-61.9-43.3177-67.4163.9000110.1E428 Y435 A436E428-I432 WeakPolarHBondContact O-CB 3.32Å; E428-I432 VanDerWaalsContact O-CG1 3.26Å; E428-I432 WeakPolarHBondContact O-CG1 3.44Å; E428-I432 PolarHBondContact O-N 2.83Å; I432-Y435 PolarHBondContact O-N 3Å; I432-A436 VanDerWaalsContact O-CB 3.25Å; I432-A436 WeakPolarHBondContact O-CB 3.5Å; I432-A436 PolarHBondContact O-N 2.75Å
433A66.1Low59.5Low58 Ų5899.4 Ų99.448%0.47952%0.522SS..Hα-helixtrans-63.5-41.3175.400000112.3H429 A437H429-A433 WeakPolarHBondContact O-CB 3.28Å; H429-A433 PolarHBondContact O-N 3.25Å; A433-A437 WeakPolarHBondContact O-CB 3.46Å; A433-A437 PolarHBondContact O-N 3.44Å
434R65.9Low59.7Low149 Ų149100 Ų10056%0.56253%0.528SS*.Hα-helixtrans-65.2-38.4172.7-93.8172-75.8170.8-6.1112.6S430 L431 R438S430-R434 WeakPolarHBondContact O-CB 3.22Å; S430-R434 PolarHBondContact O-N 2.81Å; S430-R434 VanDerWaalsContact O-N 3.12Å; S430-R434 PolarHBondContact O-NE 2.97Å; S430-R434 PolarHBondContact OG-NH2 3.47Å; L431-R434 PolarHBondContact O-N 3.13Å; R434-R438 VanDerWaalsContact O-CB 3.32Å; R434-R438 WeakPolarHBondContact O-CB 3.39Å; R434-R438 PolarHBondContact O-N 2.91Å
435Y63.7Low59.8Low155 Ų15597.5 Ų97.561%0.60852%0.522SS*.Hα-helixtrans-70.6-44.2179-172.8-113.3000111.6L431 I432 R438 L439L431-Y435 WeakPolarHBondContact O-CB 3.47Å; L431-Y435 PolarHBondContact O-N 3.04Å; I432-Y435 PolarHBondContact O-N 3Å; Y435-R438 PolarHBondContact O-N 2.95Å; Y435-L439 HydrophobicContact CD1-CD1 3.84Å; Y435-L439 HydrophobicContact CE1-CD1 3.54Å; Y435-L439 HydrophobicContact CE1-CG 4.31Å; Y435-L439 WeakPolarHBondContact O-CG 3.49Å; Y435-L439 PolarHBondContact O-N 3.09Å
436A67Low59.9Low51 Ų5198 Ų9842%0.42153%0.525SS..Hα-helixtrans-63.9-42.5173.500000112.2I432 R438 L439 A440I432-A436 VanDerWaalsContact O-CB 3.25Å; I432-A436 WeakPolarHBondContact O-CB 3.5Å; I432-A436 PolarHBondContact O-N 2.75Å; A436-R438 VanDerWaalsContact C-N 3.25Å; A436-R438 PolarHBondContact O-N 3.21Å; A436-L439 PolarHBondContact O-N 3.18Å; A436-A440 VanDerWaalsContact O-CB 3.31Å; A436-A440 WeakPolarHBondContact O-CB 3.19Å; A436-A440 PolarHBondContact O-N 3.33Å
437A66.6Low59.6Low62 Ų62100.5 Ų100.551%0.51253%0.532SS..Hα-helixtrans-63.4-32.1173.500000112.3A433 A441A433-A437 WeakPolarHBondContact O-CB 3.46Å; A433-A437 PolarHBondContact O-N 3.44Å; A437-A441 WeakPolarHBondContact O-CB 3.28Å; A437-A441 PolarHBondContact O-N 2.75Å
438R69.8Low59.2Low179 Ų179102.4 Ų102.468%0.67554%0.541SS*.Hα-helixtrans-74.5-44.2175.3-161.9170-154.1143.78.5112.3R434 Y435 A436 A440 A441 D442R434-R438 VanDerWaalsContact O-CB 3.32Å; R434-R438 WeakPolarHBondContact O-CB 3.39Å; R434-R438 PolarHBondContact O-N 2.91Å; Y435-R438 PolarHBondContact O-N 2.95Å; A436-R438 VanDerWaalsContact C-N 3.25Å; A436-R438 PolarHBondContact O-N 3.21Å; R438-A440 VanDerWaalsContact C-N 3.29Å; R438-A440 PolarHBondContact O-N 3.42Å; R438-A441 PolarHBondContact O-N 3.35Å; R438-A441 VanDerWaalsContact O-N 3.16Å; R438-D442 WeakPolarHBondContact O-CB 3.11Å; R438-D442 PolarHBondContact O-N 3.28Å
439L62.5Low58.3Low92 Ų92106.9 Ų106.948%0.48255%0.553SS.*Hα-helixtrans-58.1-41.1171-77.5169.6000111.9Y435 A436 D442 A443Y435-L439 HydrophobicContact CD1-CD1 3.84Å; Y435-L439 HydrophobicContact CE1-CD1 3.54Å; Y435-L439 HydrophobicContact CE1-CG 4.31Å; Y435-L439 WeakPolarHBondContact O-CG 3.49Å; Y435-L439 PolarHBondContact O-N 3.09Å; A436-L439 PolarHBondContact O-N 3.18Å; L439-D442 PolarHBondContact O-N 3.02Å; L439-A443 VanDerWaalsContact O-CB 3.29Å; L439-A443 WeakPolarHBondContact O-CB 3.49Å; L439-A443 PolarHBondContact O-N 2.97Å
440A64.1Low57.6Low53 Ų53108.1 Ų108.144%0.43857%0.568SS.*Hα-helixtrans-65.7-41.5174.500000112A436 R438 A443 V444A436-A440 VanDerWaalsContact O-CB 3.31Å; A436-A440 WeakPolarHBondContact O-CB 3.19Å; A436-A440 PolarHBondContact O-N 3.33Å; R438-A440 VanDerWaalsContact C-N 3.29Å; R438-A440 PolarHBondContact O-N 3.42Å; A440-A443 PolarHBondContact O-N 2.92Å; A440-V444 WeakPolarHBondContact O-CG2 3.38Å; A440-V444 PolarHBondContact O-N 3.19Å
441A58Low56.6Low51 Ų51110.3 Ų110.342%0.42158%0.582SS.*Hα-helixtrans-63.7-44174.300000112A437 R438 V444 V445A437-A441 WeakPolarHBondContact O-CB 3.28Å; A437-A441 PolarHBondContact O-N 2.75Å; R438-A441 PolarHBondContact O-N 3.35Å; R438-A441 VanDerWaalsContact O-N 3.16Å; A441-V444 PolarHBondContact O-N 3.49Å; A441-V445 WeakPolarHBondContact O-CB 3.36Å; A441-V445 VanDerWaalsContact O-CG2 3.3Å; A441-V445 WeakPolarHBondContact O-CG2 3.15Å; A441-V445 PolarHBondContact O-N 2.85Å
442D52.9Low55.7Low87 Ų87112 Ų11247%0.46559%0.589SS.*Hα-helixtrans-66.6-35.9178-68.5-31.7000111.4R438 L439 V445 Q446R438-D442 WeakPolarHBondContact O-CB 3.11Å; R438-D442 PolarHBondContact O-N 3.28Å; L439-D442 PolarHBondContact O-N 3.02Å; D442-V445 PolarHBondContact O-N 2.71Å; D442-Q446 WeakPolarHBondContact O-CG 3.25Å; D442-Q446 PolarHBondContact O-N 2.81Å
443A53.3Low54.5Low47 Ų47113.7 Ų113.739%0.38860%0.6SS.*Hα-helixtrans-66-41.3172.600000112.9L439 A440 V445 Q446 Q447L439-A443 VanDerWaalsContact O-CB 3.29Å; L439-A443 WeakPolarHBondContact O-CB 3.49Å; L439-A443 PolarHBondContact O-N 2.97Å; A440-A443 PolarHBondContact O-N 2.92Å; A443-V445 VanDerWaalsContact C-N 3.33Å; A443-Q446 PolarHBondContact O-N 3.35Å; A443-Q447 PolarHBondContact O-N 3.19Å; A443-Q447 VanDerWaalsContact O-N 3.14Å
444V50.3Low53.2Low87 Ų87117.9 Ų117.953%0.52761%0.613SS.*Hα-helixtrans-66.1-36.6173.61710000111.1A440 A441 Q446 Q447A440-V444 WeakPolarHBondContact O-CG2 3.38Å; A440-V444 PolarHBondContact O-N 3.19Å; A441-V444 PolarHBondContact O-N 3.49Å; V444-Q446 VanDerWaalsContact C-N 3.34Å; V444-Q447 PolarHBondContact O-N 2.84Å
445V49.3Very low52.4Low80 Ų80116.1 Ų116.149%0.48562%0.621SS.*Hα-helixtrans-64.8-35.9173.3167.10000111.9A441 D442 A443A441-V445 WeakPolarHBondContact O-CB 3.36Å; A441-V445 VanDerWaalsContact O-CG2 3.3Å; A441-V445 WeakPolarHBondContact O-CG2 3.15Å; A441-V445 PolarHBondContact O-N 2.85Å; D442-V445 PolarHBondContact O-N 2.71Å; A443-V445 VanDerWaalsContact C-N 3.33Å
446Q47.3Very low51.5Low160 Ų160118.4 Ų118.475%0.74863%0.63SS**Hα-helixtrans-68-33.5174.3-76.4-179.5-9.800113D442 A443 V444 Q448D442-Q446 WeakPolarHBondContact O-CG 3.25Å; D442-Q446 PolarHBondContact O-N 2.81Å; A443-Q446 PolarHBondContact O-N 3.35Å; V444-Q446 VanDerWaalsContact C-N 3.34Å; Q446-Q448 VanDerWaalsContact C-N 3.29Å; Q446-Q448 PolarHBondContact O-N 3.39Å
447Q47.3Very low50.7Low171 Ų171120.6 Ų120.680%0.79964%0.643SS**Hα-helixtrans-75.4-10.3178.9-73-172.5-13.700114.8A443 V444A443-Q447 PolarHBondContact O-N 3.19Å; A443-Q447 VanDerWaalsContact O-N 3.14Å; V444-Q447 PolarHBondContact O-N 2.84Å
448Q42.9Very low50Low169 Ų169123.4 Ų123.479%0.7965%0.648SS**THydrogen-bonded Turntrans-116.915.8-178.9-73.4-166-19.400115.4Q446Q446-Q448 VanDerWaalsContact C-N 3.29Å; Q446-Q448 PolarHBondContact O-N 3.39Å
449R38.4Very low49.5Very low208 Ų208118.8 Ų118.879%0.78564%0.637SS**  trans-137.891.8168.6-75.1-159.2-178.7101.61.8114.6
450V44.1Very low49.3Very low138 Ų138117.4 Ų117.484%0.83664%0.639SS**  trans-83.2140.2138.2177.80000105.7
451P44.3Very low49.5Very low100 Ų100118.8 Ų118.865%0.64964%0.639SS**  cis-129.2163.826.816.89.1000117.9
452I48.7Very low50.1Low146 Ų146122.6 Ų122.675%0.74965%0.646SS**  trans58.9105.5138.2-61.3164.2000118.7
453D42.2Very low51.3Low145 Ų145123.5 Ų123.578%0.77565%0.647SS**  trans144.188.4131.6-84.9-25.5000114.4
454L39.5Very low52.2Low146 Ų146127 Ų12776%0.76466%0.656SS**  trans-169114.7144.9-139.170000113.1
455P47.4Very low53.5Low111 Ų111131 Ų13172%0.72166%0.661SS**  trans-75.7-25.7178.1-20.533.9000115.4S457P455-S457 PolarHBondContact O-N 2.76Å
456Y45.9Very low55.2Low203 Ų203133.8 Ų133.880%0.79667%0.669SS**Hα-helixtrans-76.7-15.5-152.8-146.3-104.7000116.3
457S49.6Very low56.8Low98 Ų98130.7 Ų130.769%0.68566%0.657SS**Hα-helixtrans-86.1-26.9-177.6-168.30000113.5P455 D459P455-S457 PolarHBondContact O-N 2.76Å; S457-D459 VanDerWaalsContact C-N 3.33Å
458L51.9Low58.3Low121 Ų121126.2 Ų126.263%0.63464%0.638SS**Hα-helixtrans-70.5-30.1179.7-87.6156.1000112.6N461 K462L458-N461 PolarHBondContact O-N 3.18Å; L458-K462 WeakPolarHBondContact O-CG 3.38Å; L458-K462 PolarHBondContact O-N 3.38Å
459D60.4Low60.2Low81 Ų81120.5 Ų120.543%0.43362%0.62SS.*Hα-helixtrans-69.5-52.1-172.4-166.116.9000112.1S457 N461 K462 Q463S457-D459 VanDerWaalsContact C-N 3.33Å; D459-N461 PolarHBondContact O-N 3Å; D459-K462 WeakPolarHBondContact O-CA 3.47Å; D459-K462 WeakPolarHBondContact O-CB 3.5Å; D459-K462 PolarHBondContact O-N 2.68Å; D459-Q463 WeakPolarHBondContact O-CG 3.43Å; D459-Q463 PolarHBondContact O-N 2.84Å; D459-Q463 PolarHBondContact OD1-NE2 3.43Å; D459-Q463 PolarHBondContact OD2-NE2 3.43Å
460A57Low62.5Low63 Ų63115 Ų11552%0.52160%0.603SS.*Hα-helixtrans-56.9-35.8175.700000113.1Q464A460-Q464 WeakPolarHBondContact O-CB 3.48Å; A460-Q464 PolarHBondContact O-N 3.17Å
461N68.3Low64.1Low82 Ų82113.3 Ų113.344%0.43959%0.589SS.*Hα-helixtrans-73.5-31.8177.1-133-92.8000112.6L458 D459 R465L458-N461 PolarHBondContact O-N 3.18Å; D459-N461 PolarHBondContact O-N 3Å; N461-R465 VanDerWaalsContact O-CD 3.31Å; N461-R465 WeakPolarHBondContact O-CD 3.31Å; N461-R465 VanDerWaalsContact O-CG 3.25Å; N461-R465 WeakPolarHBondContact O-CG 3.26Å; N461-R465 PolarHBondContact O-N 2.9Å; N461-R465 PolarHBondContact OD1-NE 2.99Å
462K71.8Confident65.9Low132 Ų132113.6 Ų113.657%0.57458%0.581SS**Hα-helixtrans-68.5-50.3170.5-76.4177175.7-171.60111L458 D459 Q464 R465 Q466L458-K462 WeakPolarHBondContact O-CG 3.38Å; L458-K462 PolarHBondContact O-N 3.38Å; D459-K462 WeakPolarHBondContact O-CA 3.47Å; D459-K462 WeakPolarHBondContact O-CB 3.5Å; D459-K462 PolarHBondContact O-N 2.68Å; K462-Q464 VanDerWaalsContact C-N 3.32Å; K462-Q464 PolarHBondContact O-N 3.04Å; K462-R465 PolarHBondContact O-N 2.66Å; K462-Q466 WeakPolarHBondContact O-CB 3.07Å; K462-Q466 PolarHBondContact O-N 2.72Å
463Q76.6Confident67.7Low105 Ų105109.5 Ų109.549%0.49157%0.565SS.*Hα-helixtrans-55.9-44.4179-68.2169.215.300111.7D459 R465 Q466 L467D459-Q463 WeakPolarHBondContact O-CG 3.43Å; D459-Q463 PolarHBondContact O-N 2.84Å; D459-Q463 PolarHBondContact OD1-NE2 3.43Å; D459-Q463 PolarHBondContact OD2-NE2 3.43Å; Q463-R465 PolarHBondContact O-N 2.97Å; Q463-Q466 PolarHBondContact O-N 2.85Å; Q463-L467 WeakPolarHBondContact O-CB 3.43Å; Q463-L467 PolarHBondContact O-N 3.03Å
464Q72.6Confident69.6Low121 Ų121107.4 Ų107.457%0.56555%0.549SS*.Hα-helixtrans-61-42.7175-175.7179.8-10.700112.6A460 K462 I468A460-Q464 WeakPolarHBondContact O-CB 3.48Å; A460-Q464 PolarHBondContact O-N 3.17Å; K462-Q464 VanDerWaalsContact C-N 3.32Å; K462-Q464 PolarHBondContact O-N 3.04Å; Q464-I468 HydrophobicContact CG-CD1 4.19Å; Q464-I468 WeakPolarHBondContact O-CD1 3.29Å; Q464-I468 VanDerWaalsContact O-CG1 3.27Å; Q464-I468 WeakPolarHBondContact O-CG1 3.37Å; Q464-I468 PolarHBondContact O-N 2.9Å; Q464-I468 VanDerWaalsContact O-N 3.12Å
465R79Confident71.3Confident171 Ų171105 Ų10565%0.64554%0.537SS*.Hα-helixtrans-68.8-36.9178.1-71.4166.5-178.4-93.2-1.4112.2N461 K462 Q463 I468 A469N461-R465 VanDerWaalsContact O-CD 3.31Å; N461-R465 WeakPolarHBondContact O-CD 3.31Å; N461-R465 VanDerWaalsContact O-CG 3.25Å; N461-R465 WeakPolarHBondContact O-CG 3.26Å; N461-R465 PolarHBondContact O-N 2.9Å; N461-R465 PolarHBondContact OD1-NE 2.99Å; K462-R465 PolarHBondContact O-N 2.66Å; Q463-R465 PolarHBondContact O-N 2.97Å; R465-I468 PolarHBondContact O-N 2.87Å; R465-A469 WeakPolarHBondContact O-CB 3.38Å; R465-A469 PolarHBondContact O-N 2.86Å
466Q84.6Confident73.2Confident138 Ų138105.7 Ų105.765%0.64553%0.525SS*.Hα-helixtrans-68.3-42.6178.9-165.51661.900111.1K462 Q463 I468 A469 E470K462-Q466 WeakPolarHBondContact O-CB 3.07Å; K462-Q466 PolarHBondContact O-N 2.72Å; Q463-Q466 PolarHBondContact O-N 2.85Å; Q466-I468 PolarHBondContact O-N 2.82Å; Q466-A469 PolarHBondContact O-N 3.04Å; Q466-E470 WeakPolarHBondContact O-CB 3.47Å; Q466-E470 PolarHBondContact O-N 2.79Å
467L80.8Confident74.9Confident95 Ų95101.8 Ų101.850%0.49751%0.514SS..Hα-helixtrans-61.5-41171.7178.862000112.4Q463 E470 L471Q463-L467 WeakPolarHBondContact O-CB 3.43Å; Q463-L467 PolarHBondContact O-N 3.03Å; L467-E470 PolarHBondContact O-N 3.25Å; L467-L471 HydrophobicContact CD1-CD1 4.16Å; L467-L471 HydrophobicContact CD1-CG 4.25Å; L467-L471 HydrophobicContact CG-CD1 4.05Å; L467-L471 WeakPolarHBondContact O-CB 3.39Å; L467-L471 VanDerWaalsContact O-CG 3.25Å; L467-L471 WeakPolarHBondContact O-CG 3.49Å; L467-L471 PolarHBondContact O-N 2.74Å
468I78.5Confident76.3Confident77 Ų77101.9 Ų101.940%0.39551%0.506SS..Hα-helixtrans-62.7-47.4175.1-69.8164.3000110.5Q464 R465 Q466 E470 L471 E472Q464-I468 HydrophobicContact CG-CD1 4.19Å; Q464-I468 WeakPolarHBondContact O-CD1 3.29Å; Q464-I468 VanDerWaalsContact O-CG1 3.27Å; Q464-I468 WeakPolarHBondContact O-CG1 3.37Å; Q464-I468 PolarHBondContact O-N 2.9Å; Q464-I468 VanDerWaalsContact O-N 3.12Å; R465-I468 PolarHBondContact O-N 2.87Å; Q466-I468 PolarHBondContact O-N 2.82Å; I468-E470 VanDerWaalsContact C-N 3.33Å; I468-E470 PolarHBondContact O-N 3.1Å; I468-L471 PolarHBondContact O-N 2.81Å; I468-E472 HydrophobicContact CG2-CG 4.43Å; I468-E472 WeakPolarHBondContact O-CB 3.42Å; I468-E472 WeakPolarHBondContact O-CG 3.26Å; I468-E472 PolarHBondContact O-N 3.26Å
469A83.3Confident77.8Confident50 Ų50101 Ų10141%0.41350%0.501SS..Hα-helixtrans-62.3-37.5178.300000112.9R465 Q466 S473R465-A469 WeakPolarHBondContact O-CB 3.38Å; R465-A469 PolarHBondContact O-N 2.86Å; Q466-A469 PolarHBondContact O-N 3.04Å; A469-S473 WeakPolarHBondContact O-CB 3.49Å; A469-S473 PolarHBondContact O-N 3.08Å
470E85.6Confident78.9Confident92 Ų92103.1 Ų103.143%0.4351%0.509SS..Hα-helixtrans-66.1-46.5175-166.9-162143.500111.7Q466 L467 I468 E472 S473 K474Q466-E470 WeakPolarHBondContact O-CB 3.47Å; Q466-E470 PolarHBondContact O-N 2.79Å; L467-E470 PolarHBondContact O-N 3.25Å; I468-E470 VanDerWaalsContact C-N 3.33Å; I468-E470 PolarHBondContact O-N 3.1Å; E470-E472 PolarHBondContact O-N 2.89Å; E470-S473 PolarHBondContact O-N 2.73Å; E470-S473 VanDerWaalsContact O-N 3.13Å; E470-K474 HydrophobicContact CG-CD 4.47Å; E470-K474 PolarHBondContact O-N 2.95Å; E470-K474 WeakPolarHBondContact OE1-CE 3.38Å; E470-K474 IonicContact OE1-NZ 3.06Å; E470-K474 PolarHBondContact OE1-NZ 3.25Å
471L77.8Confident79.8Confident103 Ų103103.3 Ų103.354%0.53950%0.499SS..Hα-helixtrans-62.2-41.7176.3-73.3170000111.7L467 I468 S473 K474 N475L467-L471 HydrophobicContact CD1-CD1 4.16Å; L467-L471 HydrophobicContact CD1-CG 4.25Å; L467-L471 HydrophobicContact CG-CD1 4.05Å; L467-L471 WeakPolarHBondContact O-CB 3.39Å; L467-L471 VanDerWaalsContact O-CG 3.25Å; L467-L471 WeakPolarHBondContact O-CG 3.49Å; L467-L471 PolarHBondContact O-N 2.74Å; I468-L471 PolarHBondContact O-N 2.81Å; L471-S473 VanDerWaalsContact C-N 3.31Å; L471-S473 PolarHBondContact O-N 3.35Å; L471-K474 PolarHBondContact O-N 2.89Å; L471-N475 VanDerWaalsContact O-CB 3.26Å; L471-N475 WeakPolarHBondContact O-CB 3.31Å; L471-N475 PolarHBondContact O-N 3.24Å
472E83.1Confident80.1Confident106 Ų106102.9 Ų102.950%0.49550%0.496SS..Hα-helixtrans-62.9-36.4172.9-74.4178.4-172.300112.2I468 E470 N475 R476I468-E472 HydrophobicContact CG2-CG 4.43Å; I468-E472 WeakPolarHBondContact O-CB 3.42Å; I468-E472 WeakPolarHBondContact O-CG 3.26Å; I468-E472 PolarHBondContact O-N 3.26Å; E470-E472 PolarHBondContact O-N 2.89Å; E472-N475 PolarHBondContact O-N 3.06Å; E472-R476 WeakPolarHBondContact O-CG 3.35Å; E472-R476 PolarHBondContact O-N 3.13Å; E472-R476 IonicContact OE2-NH1 3.24Å
473S86.9Confident80.5Confident59 Ų59102.7 Ų102.741%0.41350%0.497SS..Hα-helixtrans-68.3-47.4176.7-1380000112.4A469 E470 L471 N475 R476 E477A469-S473 WeakPolarHBondContact O-CB 3.49Å; A469-S473 PolarHBondContact O-N 3.08Å; E470-S473 PolarHBondContact O-N 2.73Å; E470-S473 VanDerWaalsContact O-N 3.13Å; L471-S473 VanDerWaalsContact C-N 3.31Å; L471-S473 PolarHBondContact O-N 3.35Å; S473-N475 PolarHBondContact O-N 3.04Å; S473-R476 VanDerWaalsContact CB-NH2 3.35Å; S473-R476 WeakPolarHBondContact O-CB 3.32Å; S473-R476 PolarHBondContact O-N 2.94Å; S473-R476 VanDerWaalsContact O-N 3.14Å; S473-R476 PolarHBondContact OG-NH2 3.31Å; S473-R476 VanDerWaalsContact OG-NH2 3.09Å; S473-E477 PolarHBondContact O-N 3.04Å
474K81.1Confident81Confident101 Ų101103.4 Ų103.444%0.43950%0.495SS..Hα-helixtrans-61.9-32.8174.5-73.9173.6172.6171.80112E470 L471 E477 I478E470-K474 HydrophobicContact CG-CD 4.47Å; E470-K474 PolarHBondContact O-N 2.95Å; E470-K474 WeakPolarHBondContact OE1-CE 3.38Å; E470-K474 IonicContact OE1-NZ 3.06Å; E470-K474 PolarHBondContact OE1-NZ 3.25Å; L471-K474 PolarHBondContact O-N 2.89Å; K474-E477 PolarHBondContact O-N 3.05Å; K474-I478 WeakPolarHBondContact O-CB 3.27Å; K474-I478 WeakPolarHBondContact O-CD1 3.25Å; K474-I478 WeakPolarHBondContact O-CG1 3.39Å; K474-I478 PolarHBondContact O-N 3.2Å
475N76.1Confident80.7Confident95 Ų95102.1 Ų102.151%0.50849%0.492SS..Hα-helixtrans-70-39.7174.5-159.80.8000112.1L471 E472 S473 L479L471-N475 VanDerWaalsContact O-CB 3.26Å; L471-N475 WeakPolarHBondContact O-CB 3.31Å; L471-N475 PolarHBondContact O-N 3.24Å; E472-N475 PolarHBondContact O-N 3.06Å; S473-N475 PolarHBondContact O-N 3.04Å; N475-L479 WeakPolarHBondContact O-CB 3.39Å; N475-L479 VanDerWaalsContact O-CG 3.27Å; N475-L479 WeakPolarHBondContact O-CG 3.45Å; N475-L479 PolarHBondContact O-N 3.18Å
476R86.1Confident80.4Confident126 Ų126102.1 Ų102.148%0.47549%0.492SS..Hα-helixtrans-60.7-44.3171.1-72.6-178.8-65.6-98.73.3111.8E472 S473 L479 Q480E472-R476 WeakPolarHBondContact O-CG 3.35Å; E472-R476 PolarHBondContact O-N 3.13Å; E472-R476 IonicContact OE2-NH1 3.24Å; S473-R476 VanDerWaalsContact CB-NH2 3.35Å; S473-R476 WeakPolarHBondContact O-CB 3.32Å; S473-R476 PolarHBondContact O-N 2.94Å; S473-R476 VanDerWaalsContact O-N 3.14Å; S473-R476 PolarHBondContact OG-NH2 3.31Å; S473-R476 VanDerWaalsContact OG-NH2 3.09Å; R476-L479 PolarHBondContact O-N 3.05Å; R476-Q480 WeakPolarHBondContact O-CG 3.35Å; R476-Q480 PolarHBondContact O-N 2.97Å
477E81.9Confident79.8Confident121 Ų121100.4 Ų100.457%0.56549%0.486SS*.Hα-helixtrans-61.8-49.5177.7-177.6176.6-152.700112.1S473 K474 L479 Q480 E481S473-E477 PolarHBondContact O-N 3.04Å; K474-E477 PolarHBondContact O-N 3.05Å; E477-L479 VanDerWaalsContact C-N 3.29Å; E477-L479 PolarHBondContact O-N 3.12Å; E477-Q480 WeakPolarHBondContact O-CB 3.44Å; E477-Q480 PolarHBondContact O-N 2.88Å; E477-Q480 VanDerWaalsContact O-N 3.13Å; E477-E481 PolarHBondContact O-N 3.28Å
478I79.2Confident79.3Confident100 Ų100101 Ų10151%0.51349%0.487SS..Hα-helixtrans-59.5-38.8176.4-71.1164.5000111.6K474 E481 I482K474-I478 WeakPolarHBondContact O-CB 3.27Å; K474-I478 WeakPolarHBondContact O-CD1 3.25Å; K474-I478 WeakPolarHBondContact O-CG1 3.39Å; K474-I478 PolarHBondContact O-N 3.2Å; I478-E481 PolarHBondContact O-N 3.3Å; I478-I482 HydrophobicContact CG2-CD1 3.84Å; I478-I482 VanDerWaalsContact O-CG1 3.27Å; I478-I482 WeakPolarHBondContact O-CG1 3.3Å; I478-I482 PolarHBondContact O-N 2.97Å
479L82.4Confident78.9Confident102 Ų102104.3 Ų104.353%0.53450%0.5SS..Hα-helixtrans-66.9-39176.2-73.3168.2000112.4N475 R476 E477 I482 Q483N475-L479 WeakPolarHBondContact O-CB 3.39Å; N475-L479 VanDerWaalsContact O-CG 3.27Å; N475-L479 WeakPolarHBondContact O-CG 3.45Å; N475-L479 PolarHBondContact O-N 3.18Å; R476-L479 PolarHBondContact O-N 3.05Å; E477-L479 VanDerWaalsContact C-N 3.29Å; E477-L479 PolarHBondContact O-N 3.12Å; L479-I482 PolarHBondContact O-N 3.49Å; L479-Q483 WeakPolarHBondContact O-CB 3.4Å; L479-Q483 PolarHBondContact O-N 2.94Å
480Q83.8Confident78.2Confident127 Ų127107.7 Ų107.759%0.59351%0.507SS*.Hα-helixtrans-65.4-38.5173.2-71.4175.91.100111.9R476 E477 Q483 R484R476-Q480 WeakPolarHBondContact O-CG 3.35Å; R476-Q480 PolarHBondContact O-N 2.97Å; E477-Q480 WeakPolarHBondContact O-CB 3.44Å; E477-Q480 PolarHBondContact O-N 2.88Å; E477-Q480 VanDerWaalsContact O-N 3.13Å; Q480-Q483 PolarHBondContact O-N 3.23Å; Q480-R484 WeakPolarHBondContact O-CB 3.46Å; Q480-R484 PolarHBondContact O-N 3.43Å
481E76.1Confident77.1Confident66 Ų66110.5 Ų110.531%0.30852%0.521SS..Hα-helixtrans-64.4-46.7175.4-163.259.8-123.500111.5E477 I478 Q483 R484 L485E477-E481 PolarHBondContact O-N 3.28Å; I478-E481 PolarHBondContact O-N 3.3Å; E481-Q483 VanDerWaalsContact C-N 3.26Å; E481-Q483 PolarHBondContact O-N 3.12Å; E481-R484 PolarHBondContact O-N 3.43Å; E481-R484 VanDerWaalsContact O-N 3.17Å; E481-R484 IonicContact OE1-CZ 2.64Å; E481-R484 IonicContact OE1-NH1 3.95Å; E481-R484 PolarHBondContact OE1-NH1 2.89Å; E481-R484 IonicContact OE1-NH2 2.66Å; E481-R484 IonicContact OE2-CZ 3.45Å; E481-R484 IonicContact OE2-NH1 2.79Å; E481-R484 PolarHBondContact OE2-NH1 3.46Å; E481-R484 IonicContact OE2-NH2 3.94Å; E481-R484 PolarHBondContact OE2-NH2 3.22Å; E481-L485 HydrophobicContact CG-CD1 4.14Å; E481-L485 WeakPolarHBondContact O-CB 3.48Å; E481-L485 VanDerWaalsContact O-CG 3.32Å; E481-L485 WeakPolarHBondContact O-CG 3.42Å; E481-L485 PolarHBondContact O-N 3.07Å
482I75.2Confident76.1Confident73 Ų73109.6 Ų109.637%0.37453%0.528SS..Hα-helixtrans-58.5-39174.5-70.2164.9000111.2I478 L479 R486I478-I482 HydrophobicContact CG2-CD1 3.84Å; I478-I482 VanDerWaalsContact O-CG1 3.27Å; I478-I482 WeakPolarHBondContact O-CG1 3.3Å; I478-I482 PolarHBondContact O-N 2.97Å; L479-I482 PolarHBondContact O-N 3.49Å; I482-R486 WeakPolarHBondContact O-CB 3.34Å; I482-R486 VanDerWaalsContact O-CG 3.26Å; I482-R486 WeakPolarHBondContact O-CG 3.41Å; I482-R486 PolarHBondContact O-N 3.32Å; I482-R486 VanDerWaalsContact O-N 3.07Å
483Q79.7Confident74.8Confident128 Ų128106.9 Ų106.960%0.59852%0.521SS*.Hα-helixtrans-69.7-39.4177-169.9169.4-2.400112.3L479 Q480 E481 R486 L487L479-Q483 WeakPolarHBondContact O-CB 3.4Å; L479-Q483 PolarHBondContact O-N 2.94Å; Q480-Q483 PolarHBondContact O-N 3.23Å; E481-Q483 VanDerWaalsContact C-N 3.26Å; E481-Q483 PolarHBondContact O-N 3.12Å; Q483-R486 PolarHBondContact O-N 3.32Å; Q483-L487 WeakPolarHBondContact O-CG 3.19Å; Q483-L487 PolarHBondContact O-N 3.48Å; Q483-L487 VanDerWaalsContact O-N 3.12Å
484R86.7Confident73.1Confident121 Ų121110.8 Ų110.846%0.45753%0.533SS..Hα-helixtrans-65.1-45.4175.4-161-167.5-48.9132.614.3111.9Q480 E481 R486 L487 Q488Q480-R484 WeakPolarHBondContact O-CB 3.46Å; Q480-R484 PolarHBondContact O-N 3.43Å; E481-R484 PolarHBondContact O-N 3.43Å; E481-R484 VanDerWaalsContact O-N 3.17Å; E481-R484 IonicContact OE1-CZ 2.64Å; E481-R484 IonicContact OE1-NH1 3.95Å; E481-R484 PolarHBondContact OE1-NH1 2.89Å; E481-R484 IonicContact OE1-NH2 2.66Å; E481-R484 IonicContact OE2-CZ 3.45Å; E481-R484 IonicContact OE2-NH1 2.79Å; E481-R484 PolarHBondContact OE2-NH1 3.46Å; E481-R484 IonicContact OE2-NH2 3.94Å; E481-R484 PolarHBondContact OE2-NH2 3.22Å; R484-R486 VanDerWaalsContact C-N 3.3Å; R484-R486 PolarHBondContact O-N 3.01Å; R484-L487 PolarHBondContact O-N 2.95Å; R484-Q488 WeakPolarHBondContact O-CG 3.25Å; R484-Q488 PolarHBondContact O-N 3.36Å
485L66.9Low71.9Confident94 Ų94110.4 Ų110.449%0.49254%0.54SS..Hα-helixtrans-63.9-34.4177.4-70.4170.1000112.2E481 H489E481-L485 HydrophobicContact CG-CD1 4.14Å; E481-L485 WeakPolarHBondContact O-CB 3.48Å; E481-L485 VanDerWaalsContact O-CG 3.32Å; E481-L485 WeakPolarHBondContact O-CG 3.42Å; E481-L485 PolarHBondContact O-N 3.07Å; L485-H489 VanDerWaalsContact O-CB 3.3Å; L485-H489 WeakPolarHBondContact O-CB 3.36Å; L485-H489 PolarHBondContact O-N 2.82Å
486R72.4Confident70.8Confident170 Ų170110.9 Ų110.964%0.64255%0.549SS*.Hα-helixtrans-63.8-47.9171.5-78.6171.3176-173.6-2.1112I482 Q483 R484 Q488 H489 E490I482-R486 WeakPolarHBondContact O-CB 3.34Å; I482-R486 VanDerWaalsContact O-CG 3.26Å; I482-R486 WeakPolarHBondContact O-CG 3.41Å; I482-R486 PolarHBondContact O-N 3.32Å; I482-R486 VanDerWaalsContact O-N 3.07Å; Q483-R486 PolarHBondContact O-N 3.32Å; R484-R486 VanDerWaalsContact C-N 3.3Å; R484-R486 PolarHBondContact O-N 3.01Å; R486-Q488 PolarHBondContact O-N 3.46Å; R486-H489 PolarHBondContact O-N 2.89Å; R486-E490 WeakPolarHBondContact O-CB 3.46Å; R486-E490 PolarHBondContact O-N 3.16Å
487L73.4Confident69Low102 Ų102111.2 Ų111.253%0.53457%0.567SS.*Hα-helixtrans-61.3-43.8177.3-71.2167.6000112Q483 R484 H489 E490 E491Q483-L487 WeakPolarHBondContact O-CG 3.19Å; Q483-L487 PolarHBondContact O-N 3.48Å; Q483-L487 VanDerWaalsContact O-N 3.12Å; R484-L487 PolarHBondContact O-N 2.95Å; L487-H489 VanDerWaalsContact C-N 3.35Å; L487-H489 PolarHBondContact O-N 3.39Å; L487-E490 PolarHBondContact O-N 3.42Å; L487-E491 WeakPolarHBondContact O-CB 3.28Å; L487-E491 PolarHBondContact O-N 2.98Å
488Q69.8Low67.6Low107 Ų107111.7 Ų111.750%0.557%0.574SS.*Hα-helixtrans-63.6-37.7175-73.4-178.6-23.700112.8R484 R486 A492R484-Q488 WeakPolarHBondContact O-CG 3.25Å; R484-Q488 PolarHBondContact O-N 3.36Å; R486-Q488 PolarHBondContact O-N 3.46Å; Q488-A492 WeakPolarHBondContact O-CB 3.45Å; Q488-A492 PolarHBondContact O-N 3.38Å
489H69.3Low65.7Low147 Ų147118.5 Ų118.568%0.68159%0.593SS**Hα-helixtrans-68.6-37.3175.4-174.276.8000112.2L485 R486 L487 S493L485-H489 VanDerWaalsContact O-CB 3.3Å; L485-H489 WeakPolarHBondContact O-CB 3.36Å; L485-H489 PolarHBondContact O-N 2.82Å; R486-H489 PolarHBondContact O-N 2.89Å; L487-H489 VanDerWaalsContact C-N 3.35Å; L487-H489 PolarHBondContact O-N 3.39Å; H489-S493 WeakPolarHBondContact O-CB 3.45Å; H489-S493 PolarHBondContact O-N 3.19Å; H489-S493 VanDerWaalsContact O-N 3.12Å
490E69.1Low64.4Low121 Ų121116.7 Ų116.757%0.56560%0.599SS**Hα-helixtrans-67.8-46.1176.1-172.2169.6-171.500111.5R486 L487 S493R486-E490 WeakPolarHBondContact O-CB 3.46Å; R486-E490 PolarHBondContact O-N 3.16Å; L487-E490 PolarHBondContact O-N 3.42Å; E490-S493 WeakPolarHBondContact O-CB 3.2Å; E490-S493 PolarHBondContact O-N 3.35Å; E490-S493 PolarHBondContact O-OG 3.3Å
491E61.5Low63.1Low151 Ų151120.1 Ų120.171%0.70662%0.615SS**Hα-helixtrans-59.5-47.2174.3-172.5171.7-150.200111.5L487 S493 Q494L487-E491 WeakPolarHBondContact O-CB 3.28Å; L487-E491 PolarHBondContact O-N 2.98Å; E491-S493 PolarHBondContact O-N 3.5Å; E491-Q494 PolarHBondContact O-N 3.45Å
492A56.8Low62.1Low84 Ų84122.5 Ų122.569%0.69463%0.626SS**THydrogen-bonded Turntrans-67.2-11.6174.900000114.3Q488Q488-A492 WeakPolarHBondContact O-CB 3.45Å; Q488-A492 PolarHBondContact O-N 3.38Å
493S56Low61.1Low49 Ų49124 Ų12434%0.34364%0.635SS.*THydrogen-bonded Turntrans-90.3-10.9178.382.50000114H489 E490 E491 R514H489-S493 WeakPolarHBondContact O-CB 3.45Å; H489-S493 PolarHBondContact O-N 3.19Å; H489-S493 VanDerWaalsContact O-N 3.12Å; E490-S493 WeakPolarHBondContact O-CB 3.2Å; E490-S493 PolarHBondContact O-N 3.35Å; E490-S493 PolarHBondContact O-OG 3.3Å; E491-S493 PolarHBondContact O-N 3.5Å; S493-R514 VanDerWaalsContact O-CZ 3.28Å; S493-R514 PolarHBondContact O-NH1 3.06Å; S493-R514 PolarHBondContact O-NH2 2.97Å
494Q51.4Low60.4Low142 Ų142122.4 Ų122.466%0.66464%0.636SS**SBendtrans-72.4141.5177.9-61.4-149.515.100111.6E491E491-Q494 PolarHBondContact O-N 3.45Å
495P55.3Low59.4Low93 Ų93121.4 Ų121.460%0.60464%0.643SS**PPolyproline II helixtrans-71.4136.2178.929.8-33.8000110.7
496P53.2Low58.9Low105 Ų105122 Ų12268%0.68265%0.646SS**PPolyproline II helixtrans-68.8147179.928.3-35.1000111.7D498P496-D498 PolarHBondContact O-N 2.87Å
497P49.9Very low58.7Low132 Ų132116.3 Ų116.386%0.85763%0.628SS**SBendtrans-70.3104.2177.228.2-33.7000111.6
498D51Low58.8Low132 Ų132114 Ų11471%0.70662%0.624SS**  trans52.297.5154.2-163.611.2000119P496 G500P496-D498 PolarHBondContact O-N 2.87Å; D498-G500 PolarHBondContact OD1-N 2.9Å
499R40.5Very low59Low242 Ų242114.3 Ų114.391%0.91363%0.625SS**  trans-133.1114.9132.2-70.2-163.7175.5-121.4-7.5109.7Q501R499-Q501 PolarHBondContact O-N 3.4Å
500G54.5Low58.7Low65 Ų65111.2 Ų111.267%0.6761%0.614SS**SBendtrans-77.6109.9-167.400000116.4D498D498-G500 PolarHBondContact OD1-N 2.9Å
501Q57.5Low59Low199 Ų199113.7 Ų113.793%0.9362%0.618SS**  trans-159.863.5136.9-118.6174.8-24.600110.4R499R499-Q501 PolarHBondContact O-N 3.4Å
502Q53.6Low59.9Low116 Ų116111.4 Ų111.454%0.54261%0.61SS.*  trans-86.8124.9-177.4-63.8179.5-3.300111.2L507Q502-L507 HydrophobicContact CB-CD1 3.88Å; Q502-L507 HydrophobicContact CB-CD2 4.35Å; Q502-L507 HydrophobicContact CB-CG 4.24Å
503N53.7Low60.6Low105 Ų105112.3 Ų112.356%0.56160%0.603SS**  trans-76117.2-179.9-146.9-23.6000109.2T505 L506 L507N503-T505 VanDerWaalsContact C-N 3.28Å; N503-T505 PolarHBondContact O-N 3.15Å; N503-L506 HydrophobicContact CB-CD1 4.07Å; N503-L506 HydrophobicContact CB-CG 4.34Å; N503-L506 PolarHBondContact O-N 2.83Å; N503-L506 VanDerWaalsContact O-N 3.08Å; N503-L507 PolarHBondContact O-N 2.79Å
504P65.8Low61.5Low93 Ų93114.4 Ų114.460%0.60460%0.603SS**Hα-helixtrans-63.9-30.2-164.122.9-34.2000113.8L507 A508P504-L507 PolarHBondContact O-N 2.94Å; P504-A508 PolarHBondContact O-N 2.96Å
505T65.7Low63Low100 Ų100113.9 Ų113.961%0.61360%0.601SS**Hα-helixtrans-63-43175.5-43.70000111.9N503 L507 A508 E509N503-T505 VanDerWaalsContact C-N 3.28Å; N503-T505 PolarHBondContact O-N 3.15Å; T505-L507 VanDerWaalsContact C-N 3.3Å; T505-L507 PolarHBondContact O-N 3.48Å; T505-A508 WeakPolarHBondContact O-CB 3.32Å; T505-A508 PolarHBondContact O-N 2.87Å; T505-A508 VanDerWaalsContact O-N 3.14Å; T505-E509 PolarHBondContact O-N 2.68Å
506L57.5Low64.3Low107 Ų107117.5 Ų117.556%0.5660%0.602SS**Hα-helixtrans-67.7-31.3178.2-64.9176.4000111.8N503 L510N503-L506 HydrophobicContact CB-CD1 4.07Å; N503-L506 HydrophobicContact CB-CG 4.34Å; N503-L506 PolarHBondContact O-N 2.83Å; N503-L506 VanDerWaalsContact O-N 3.08Å; L506-L510 WeakPolarHBondContact O-CB 3.44Å; L506-L510 PolarHBondContact O-N 2.9Å
507L68.2Low65.5Low50 Ų50116.6 Ų116.626%0.26259%0.587SS.*Hα-helixtrans-68.4-37.5171.3-64.5178.6000112.2Q502 N503 P504 T505 R511Q502-L507 HydrophobicContact CB-CD1 3.88Å; Q502-L507 HydrophobicContact CB-CD2 4.35Å; Q502-L507 HydrophobicContact CB-CG 4.24Å; N503-L507 PolarHBondContact O-N 2.79Å; P504-L507 PolarHBondContact O-N 2.94Å; T505-L507 VanDerWaalsContact C-N 3.3Å; T505-L507 PolarHBondContact O-N 3.48Å; L507-R511 WeakPolarHBondContact O-CB 3.46Å; L507-R511 WeakPolarHBondContact O-CD 3.35Å; L507-R511 WeakPolarHBondContact O-CG 3.27Å; L507-R511 PolarHBondContact O-N 2.91Å
508A74.1Confident67.1Low55 Ų55114.3 Ų114.346%0.45557%0.568SS.*Hα-helixtrans-67.6-42.7175.500000111.5P504 T505 R511 L512P504-A508 PolarHBondContact O-N 2.96Å; T505-A508 WeakPolarHBondContact O-CB 3.32Å; T505-A508 PolarHBondContact O-N 2.87Å; T505-A508 VanDerWaalsContact O-N 3.14Å; A508-R511 PolarHBondContact O-N 3.13Å; A508-L512 PolarHBondContact O-N 3.3Å
509E73.5Confident68.8Low112 Ų112112.1 Ų112.152%0.52355%0.553SS.*Hα-helixtrans-66.1-43176-171.1167-153.400112T505 R511 L512 L513T505-E509 PolarHBondContact O-N 2.68Å; E509-R511 VanDerWaalsContact C-N 3.31Å; E509-R511 PolarHBondContact O-N 3.44Å; E509-L512 PolarHBondContact O-N 2.87Å; E509-L513 HydrophobicContact CG-CD1 4.25Å; E509-L513 WeakPolarHBondContact O-CB 3.3Å; E509-L513 WeakPolarHBondContact O-CG 3.42Å; E509-L513 PolarHBondContact O-N 3.17Å
510L64.3Low70.7Confident83 Ų83105.7 Ų105.744%0.43554%0.537SS..Hα-helixtrans-59.8-39.2173.2-171.875.9000112.2L506 R514L506-L510 WeakPolarHBondContact O-CB 3.44Å; L506-L510 PolarHBondContact O-N 2.9Å; L510-R514 VanDerWaalsContact O-CG 3.28Å; L510-R514 WeakPolarHBondContact O-CG 3.47Å; L510-R514 PolarHBondContact O-N 3.33Å
511R75.8Confident72.1Confident173 Ų173107.5 Ų107.565%0.65353%0.528SS*.Hα-helixtrans-65.8-43.1174.3-74.9165.9-176.8165.21.8111.8L507 A508 E509 R514 Q515L507-R511 WeakPolarHBondContact O-CB 3.46Å; L507-R511 WeakPolarHBondContact O-CD 3.35Å; L507-R511 WeakPolarHBondContact O-CG 3.27Å; L507-R511 PolarHBondContact O-N 2.91Å; A508-R511 PolarHBondContact O-N 3.13Å; E509-R511 VanDerWaalsContact C-N 3.31Å; E509-R511 PolarHBondContact O-N 3.44Å; R511-R514 PolarHBondContact O-N 3.37Å; R511-Q515 WeakPolarHBondContact O-CB 3.46Å; R511-Q515 PolarHBondContact O-N 3.14Å
512L80.3Confident73.6Confident103 Ų103104.6 Ų104.654%0.53951%0.514SS..Hα-helixtrans-64.8-39177.3-175.364.7000111.9A508 E509 Q515 R516A508-L512 PolarHBondContact O-N 3.3Å; E509-L512 PolarHBondContact O-N 2.87Å; L512-Q515 PolarHBondContact O-N 3Å; L512-R516 PolarHBondContact O-N 3.04Å
513L70.1Confident75.1Confident103 Ų103106 Ų10654%0.53951%0.514SS..Hα-helixtrans-67-39.6175.4-72169.9000112.2E509 R516 K517E509-L513 HydrophobicContact CG-CD1 4.25Å; E509-L513 WeakPolarHBondContact O-CB 3.3Å; E509-L513 WeakPolarHBondContact O-CG 3.42Å; E509-L513 PolarHBondContact O-N 3.17Å; L513-R516 PolarHBondContact O-N 3.45Å; L513-K517 PolarHBondContact O-N 3.47Å
514R75.3Confident76.2Confident92 Ų92106 Ų10635%0.34751%0.513SS..Hα-helixtrans-61.2-53.1171.1-72.7169.8-173-130.6-6.4110.8S493 L510 R511 R516 K517 D518S493-R514 VanDerWaalsContact O-CZ 3.28Å; S493-R514 PolarHBondContact O-NH1 3.06Å; S493-R514 PolarHBondContact O-NH2 2.97Å; L510-R514 VanDerWaalsContact O-CG 3.28Å; L510-R514 WeakPolarHBondContact O-CG 3.47Å; L510-R514 PolarHBondContact O-N 3.33Å; R511-R514 PolarHBondContact O-N 3.37Å; R514-R516 PolarHBondContact O-N 2.93Å; R514-R516 VanDerWaalsContact O-N 3.15Å; R514-K517 WeakPolarHBondContact O-CA 3.48Å; R514-K517 WeakPolarHBondContact O-CB 3.29Å; R514-K517 PolarHBondContact O-N 2.98Å; R514-D518 PolarHBondContact O-N 3.38Å; R514-D518 VanDerWaalsContact O-OD2 3.14Å
515Q84.1Confident77Confident132 Ų132105.1 Ų105.162%0.61751%0.508SS*.Hα-helixtrans-54.3-39.1177.5-172.4178.89.300112.8R511 L512 E519R511-Q515 WeakPolarHBondContact O-CB 3.46Å; R511-Q515 PolarHBondContact O-N 3.14Å; L512-Q515 PolarHBondContact O-N 3Å; Q515-E519 WeakPolarHBondContact O-CB 3.36Å; Q515-E519 PolarHBondContact O-N 3.33Å
516R82.4Confident77.9Confident168 Ų168104.4 Ų104.463%0.63450%0.504SS*.Hα-helixtrans-67.6-37.9173.7-107.9-175.4174.4-178.60.2113.8L512 L513 R514 L520L512-R516 PolarHBondContact O-N 3.04Å; L513-R516 PolarHBondContact O-N 3.45Å; R514-R516 PolarHBondContact O-N 2.93Å; R514-R516 VanDerWaalsContact O-N 3.15Å; R516-L520 WeakPolarHBondContact O-CB 3.47Å; R516-L520 WeakPolarHBondContact O-CD1 3.26Å; R516-L520 VanDerWaalsContact O-CG 3.31Å; R516-L520 WeakPolarHBondContact O-CG 3.27Å; R516-L520 PolarHBondContact O-N 3.5Å; R516-L520 VanDerWaalsContact O-N 3.08Å
517K78.8Confident79.3Confident86 Ų86104.5 Ų104.537%0.37450%0.504SS..Hα-helixtrans-62.7-49.3173171.7-174.3168.1-67.40109.9L513 R514 E519 L520 E521L513-K517 PolarHBondContact O-N 3.47Å; R514-K517 WeakPolarHBondContact O-CA 3.48Å; R514-K517 WeakPolarHBondContact O-CB 3.29Å; R514-K517 PolarHBondContact O-N 2.98Å; K517-E519 VanDerWaalsContact C-N 3.32Å; K517-E519 PolarHBondContact O-N 2.87Å; K517-L520 WeakPolarHBondContact O-CB 3.15Å; K517-L520 PolarHBondContact O-N 3.43Å; K517-L520 VanDerWaalsContact O-N 3.08Å; K517-E521 WeakPolarHBondContact CE-OE1 3.34Å; K517-E521 HydrophobicContact CG-CG 4.43Å; K517-E521 IonicContact NZ-OE1 2.75Å; K517-E521 PolarHBondContact NZ-OE1 3.4Å; K517-E521 IonicContact NZ-OE2 3.85Å; K517-E521 PolarHBondContact NZ-OE2 3.49Å; K517-E521 PolarHBondContact O-N 3.35Å
518D82.2Confident80Confident84 Ų84107.9 Ų107.945%0.44952%0.519SS..Hα-helixtrans-62.6-40.6-176.9-50.9-27.1000110.7R514 E521 Q522R514-D518 PolarHBondContact O-N 3.38Å; R514-D518 VanDerWaalsContact O-OD2 3.14Å; D518-E521 PolarHBondContact O-N 2.9Å; D518-Q522 WeakPolarHBondContact O-CB 3.21Å; D518-Q522 PolarHBondContact O-N 3.3Å
519E87Confident80.7Confident86 Ų86110 Ų11040%0.40252%0.519SS..Hα-helixtrans-62.9-41.5172.7-165.3-164.6166.600112.5Q515 K517 R523Q515-E519 WeakPolarHBondContact O-CB 3.36Å; Q515-E519 PolarHBondContact O-N 3.33Å; K517-E519 VanDerWaalsContact C-N 3.32Å; K517-E519 PolarHBondContact O-N 2.87Å; E519-R523 WeakPolarHBondContact O-CB 3.25Å; E519-R523 WeakPolarHBondContact O-CD 3.43Å; E519-R523 WeakPolarHBondContact O-CG 3.4Å; E519-R523 PolarHBondContact O-N 3.12Å; E519-R523 IonicContact OE1-CZ 2.7Å; E519-R523 VanDerWaalsContact OE1-CZ 3.24Å; E519-R523 IonicContact OE1-NE 2.74Å; E519-R523 PolarHBondContact OE1-NE 3.09Å; E519-R523 IonicContact OE1-NH2 2.7Å; E519-R523 PolarHBondContact OE1-NH2 3.1Å
520L81.3Confident81.3Confident108 Ų108106.8 Ų106.857%0.56551%0.509SS*.Hα-helixtrans-67.9-38.6177.1-79.4165.6000112.3R516 K517 R523 M524R516-L520 WeakPolarHBondContact O-CB 3.47Å; R516-L520 WeakPolarHBondContact O-CD1 3.26Å; R516-L520 VanDerWaalsContact O-CG 3.31Å; R516-L520 WeakPolarHBondContact O-CG 3.27Å; R516-L520 PolarHBondContact O-N 3.5Å; R516-L520 VanDerWaalsContact O-N 3.08Å; K517-L520 WeakPolarHBondContact O-CB 3.15Å; K517-L520 PolarHBondContact O-N 3.43Å; K517-L520 VanDerWaalsContact O-N 3.08Å; L520-R523 PolarHBondContact O-N 3.44Å; L520-M524 WeakPolarHBondContact O-CB 3.45Å; L520-M524 WeakPolarHBondContact O-CG 3.49Å; L520-M524 PolarHBondContact O-N 2.95Å
521E83.1Confident82.3Confident102 Ų102111 Ų11148%0.47752%0.519SS..Hα-helixtrans-69.1-39.3175.8-74175.1164.200111.5K517 D518 M524 S525K517-E521 WeakPolarHBondContact CE-OE1 3.34Å; K517-E521 HydrophobicContact CG-CG 4.43Å; K517-E521 IonicContact NZ-OE1 2.75Å; K517-E521 PolarHBondContact NZ-OE1 3.4Å; K517-E521 IonicContact NZ-OE2 3.85Å; K517-E521 PolarHBondContact NZ-OE2 3.49Å; K517-E521 PolarHBondContact O-N 3.35Å; D518-E521 PolarHBondContact O-N 2.9Å; E521-M524 PolarHBondContact O-N 3.38Å; E521-S525 WeakPolarHBondContact O-CB 3.41Å; E521-S525 PolarHBondContact O-N 3.21Å
522Q88.3Confident82.9Confident139 Ų139110.2 Ų110.265%0.6552%0.517SS*.Hα-helixtrans-63.3-44.5172.1-168.117720.800111.6D518 M524 S525 T526D518-Q522 WeakPolarHBondContact O-CB 3.21Å; D518-Q522 PolarHBondContact O-N 3.3Å; Q522-M524 PolarHBondContact O-N 2.8Å; Q522-S525 WeakPolarHBondContact O-CB 3.42Å; Q522-S525 PolarHBondContact O-N 3.2Å; Q522-T526 PolarHBondContact O-N 3.32Å; Q522-T526 PolarHBondContact O-OG1 2.96Å
523R84.9Confident83.3Confident144 Ų144110.5 Ų110.554%0.54352%0.515SS..Hα-helixtrans-58.5-46.4173.5-73.9165.8178.8-124.58.2111.3E519 L520 S525 T526 L527E519-R523 WeakPolarHBondContact O-CB 3.25Å; E519-R523 WeakPolarHBondContact O-CD 3.43Å; E519-R523 WeakPolarHBondContact O-CG 3.4Å; E519-R523 PolarHBondContact O-N 3.12Å; E519-R523 IonicContact OE1-CZ 2.7Å; E519-R523 VanDerWaalsContact OE1-CZ 3.24Å; E519-R523 IonicContact OE1-NE 2.74Å; E519-R523 PolarHBondContact OE1-NE 3.09Å; E519-R523 IonicContact OE1-NH2 2.7Å; E519-R523 PolarHBondContact OE1-NH2 3.1Å; L520-R523 PolarHBondContact O-N 3.44Å; R523-S525 VanDerWaalsContact C-N 3.33Å; R523-S525 PolarHBondContact O-N 2.98Å; R523-T526 PolarHBondContact O-N 3.14Å; R523-T526 PolarHBondContact O-OG1 3.32Å; R523-L527 WeakPolarHBondContact O-CG 3.4Å; R523-L527 PolarHBondContact O-N 3.49Å
524M76.8Confident84Confident107 Ų107110.7 Ų110.753%0.52752%0.516SS..Hα-helixtrans-61.8-38.5176-77.4-66.7-70.900112.7L520 E521 Q522 L527 Q528L520-M524 WeakPolarHBondContact O-CB 3.45Å; L520-M524 WeakPolarHBondContact O-CG 3.49Å; L520-M524 PolarHBondContact O-N 2.95Å; E521-M524 PolarHBondContact O-N 3.38Å; Q522-M524 PolarHBondContact O-N 2.8Å; M524-L527 PolarHBondContact O-N 3.03Å; M524-Q528 WeakPolarHBondContact O-CG 3.5Å; M524-Q528 PolarHBondContact O-N 3.15Å
525S83.4Confident84.2Confident73 Ų73110.6 Ų110.651%0.5152%0.521SS..Hα-helixtrans-61.8-49.6173.9-174.20000111.7E521 Q522 R523 L527 Q528 E529E521-S525 WeakPolarHBondContact O-CB 3.41Å; E521-S525 PolarHBondContact O-N 3.21Å; Q522-S525 WeakPolarHBondContact O-CB 3.42Å; Q522-S525 PolarHBondContact O-N 3.2Å; R523-S525 VanDerWaalsContact C-N 3.33Å; R523-S525 PolarHBondContact O-N 2.98Å; S525-L527 VanDerWaalsContact C-N 3.3Å; S525-L527 PolarHBondContact O-N 3Å; S525-Q528 PolarHBondContact O-N 3.41Å; S525-Q528 VanDerWaalsContact O-N 3.08Å; S525-E529 PolarHBondContact O-N 3.02Å
526T85.2Confident84.3Confident86 Ų86107.3 Ų107.353%0.52851%0.509SS..Hα-helixtrans-61.4-36.1177.558.70000113.2Q522 R523 E529 S530Q522-T526 PolarHBondContact O-N 3.32Å; Q522-T526 PolarHBondContact O-OG1 2.96Å; R523-T526 PolarHBondContact O-N 3.14Å; R523-T526 PolarHBondContact O-OG1 3.32Å; T526-E529 PolarHBondContact O-N 3.5Å; T526-S530 WeakPolarHBondContact O-CB 3.49Å; T526-S530 PolarHBondContact O-N 3.46Å; T526-S530 PolarHBondContact O-OG 3.02Å
527L85.6Confident84.3Confident108 Ų108104.3 Ų104.357%0.56550%0.503SS*.Hα-helixtrans-67.3-39.8173.9-73168000111.9R523 M524 S525 S530 R531R523-L527 WeakPolarHBondContact O-CG 3.4Å; R523-L527 PolarHBondContact O-N 3.49Å; M524-L527 PolarHBondContact O-N 3.03Å; S525-L527 VanDerWaalsContact C-N 3.3Å; S525-L527 PolarHBondContact O-N 3Å; L527-S530 PolarHBondContact O-OG 2.87Å; L527-R531 WeakPolarHBondContact O-CB 3.47Å; L527-R531 PolarHBondContact O-N 2.64Å
528Q84.1Confident84.4Confident121 Ų121105.1 Ų105.157%0.56551%0.511SS*.Hα-helixtrans-65.7-39.7176.1-74.9176.84.600112.1M524 S525 R531 R532M524-Q528 WeakPolarHBondContact O-CG 3.5Å; M524-Q528 PolarHBondContact O-N 3.15Å; S525-Q528 PolarHBondContact O-N 3.41Å; S525-Q528 VanDerWaalsContact O-N 3.08Å; Q528-R531 WeakPolarHBondContact O-CB 3.36Å; Q528-R531 PolarHBondContact O-N 2.92Å; Q528-R532 PolarHBondContact O-N 2.94Å
529E88.3Confident84.4Confident99 Ų99107.3 Ų107.346%0.46352%0.518SS..Hα-helixtrans-70.8-42.8176.4-162.755.9-147.100111.7S525 T526 R531 R532 E533S525-E529 PolarHBondContact O-N 3.02Å; T526-E529 PolarHBondContact O-N 3.5Å; E529-R531 PolarHBondContact O-N 3.13Å; E529-R532 CarbonylContact O-C 3.51Å; E529-R532 WeakPolarHBondContact O-CA 3.46Å; E529-R532 VanDerWaalsContact O-CB 3.27Å; E529-R532 WeakPolarHBondContact O-CB 3.39Å; E529-R532 PolarHBondContact O-N 3.33Å; E529-R532 WeakPolarHBondContact OE1-CD 3.27Å; E529-E533 PolarHBondContact O-N 3.46Å
530S86.9Confident84.2Confident45 Ų45108.9 Ų108.932%0.31553%0.525SS..Hα-helixtrans-58.6-33.4173.373.10000112.6T526 L527 L534T526-S530 WeakPolarHBondContact O-CB 3.49Å; T526-S530 PolarHBondContact O-N 3.46Å; T526-S530 PolarHBondContact O-OG 3.02Å; L527-S530 PolarHBondContact O-OG 2.87Å; S530-L534 WeakPolarHBondContact O-CB 3.49Å; S530-L534 WeakPolarHBondContact O-CD1 3.44Å; S530-L534 WeakPolarHBondContact O-CG 3.3Å; S530-L534 PolarHBondContact O-N 3.32Å
531R84.8Confident84Confident171 Ų171108.5 Ų108.565%0.64552%0.523SS*.Hα-helixtrans-68.3-38.1172.9-178.7-175171.5-151.3-4.5111.2L527 Q528 E529 M535L527-R531 WeakPolarHBondContact O-CB 3.47Å; L527-R531 PolarHBondContact O-N 2.64Å; Q528-R531 WeakPolarHBondContact O-CB 3.36Å; Q528-R531 PolarHBondContact O-N 2.92Å; E529-R531 PolarHBondContact O-N 3.13Å; R531-M535 HydrophobicContact CG-CE 4.31Å; R531-M535 VanDerWaalsContact O-CG 3.32Å; R531-M535 WeakPolarHBondContact O-CG 3.37Å; R531-M535 PolarHBondContact O-N 3.49Å; R531-M535 VanDerWaalsContact O-N 3.09Å
532R88.5Confident83.6Confident158 Ų158109.5 Ų109.560%0.59653%0.53SS*.Hα-helixtrans-64.5-49175.9-168.8-178.7-179.8875.1110.9Q528 E529 L534 M535 V536Q528-R532 PolarHBondContact O-N 2.94Å; E529-R532 CarbonylContact O-C 3.51Å; E529-R532 WeakPolarHBondContact O-CA 3.46Å; E529-R532 VanDerWaalsContact O-CB 3.27Å; E529-R532 WeakPolarHBondContact O-CB 3.39Å; E529-R532 PolarHBondContact O-N 3.33Å; E529-R532 WeakPolarHBondContact OE1-CD 3.27Å; R532-L534 PolarHBondContact O-N 3.05Å; R532-M535 PolarHBondContact O-N 3.34Å; R532-V536 WeakPolarHBondContact O-CG2 3.45Å; R532-V536 PolarHBondContact O-N 2.99Å
533E87.6Confident83Confident109 Ų109108.6 Ų108.651%0.50953%0.527SS..Hα-helixtrans-57.2-47174.9-67.7-17814800111.9E529 M535 V536 Q537E529-E533 PolarHBondContact O-N 3.46Å; E533-M535 VanDerWaalsContact C-N 3.32Å; E533-M535 PolarHBondContact O-N 2.85Å; E533-V536 PolarHBondContact O-N 3.17Å; E533-Q537 WeakPolarHBondContact O-CG 3.43Å; E533-Q537 PolarHBondContact O-N 3.46Å
534L85.4Confident82.6Confident107 Ų107106.5 Ų106.556%0.5653%0.526SS*.Hα-helixtrans-62.7-34.7177.8-75.3168.6000113S530 R532 L538S530-L534 WeakPolarHBondContact O-CB 3.49Å; S530-L534 WeakPolarHBondContact O-CD1 3.44Å; S530-L534 WeakPolarHBondContact O-CG 3.3Å; S530-L534 PolarHBondContact O-N 3.32Å; R532-L534 PolarHBondContact O-N 3.05Å; L534-L538 WeakPolarHBondContact O-CB 3.39Å; L534-L538 PolarHBondContact O-N 2.92Å
535M78.6Confident82.1Confident89 Ų89107.8 Ų107.844%0.43853%0.534SS..Hα-helixtrans-68.7-41.5173.5-70.4-177.6-53.800111.5R531 R532 E533 L538 E539R531-M535 HydrophobicContact CG-CE 4.31Å; R531-M535 VanDerWaalsContact O-CG 3.32Å; R531-M535 WeakPolarHBondContact O-CG 3.37Å; R531-M535 PolarHBondContact O-N 3.49Å; R531-M535 VanDerWaalsContact O-N 3.09Å; R532-M535 PolarHBondContact O-N 3.34Å; E533-M535 VanDerWaalsContact C-N 3.32Å; E533-M535 PolarHBondContact O-N 2.85Å; M535-L538 WeakPolarHBondContact O-CB 3.33Å; M535-L538 PolarHBondContact O-N 3.31Å; M535-E539 WeakPolarHBondContact O-CG 3.39Å; M535-E539 PolarHBondContact O-N 2.84Å
536V87Confident81Confident63 Ų63112.8 Ų112.838%0.38255%0.547SS..Hα-helixtrans-65.2-39.9175.2174.80000111.7R532 E533 L538 E539 Q540R532-V536 WeakPolarHBondContact O-CG2 3.45Å; R532-V536 PolarHBondContact O-N 2.99Å; E533-V536 PolarHBondContact O-N 3.17Å; V536-L538 VanDerWaalsContact C-N 3.33Å; V536-L538 PolarHBondContact O-N 2.96Å; V536-E539 PolarHBondContact O-N 3.04Å; V536-Q540 WeakPolarHBondContact O-CG 3.39Å; V536-Q540 PolarHBondContact O-N 3.49Å
537Q81.8Confident79.5Confident105 Ų105113.7 Ų113.749%0.49155%0.552SS.*Hα-helixtrans-62.5-39.9173.3-72.4177.414.300111.8E533 Q540 L541E533-Q537 WeakPolarHBondContact O-CG 3.43Å; E533-Q537 PolarHBondContact O-N 3.46Å; Q537-Q540 PolarHBondContact O-N 3.26Å; Q537-L541 WeakPolarHBondContact O-CB 3.46Å; Q537-L541 VanDerWaalsContact O-CG 3.32Å; Q537-L541 WeakPolarHBondContact O-CG 3.36Å; Q537-L541 PolarHBondContact O-N 3.09Å
538L81.8Confident77.9Confident104 Ų104116.5 Ų116.555%0.54556%0.562SS.*Hα-helixtrans-64.9-42.6176.2-174.464.9000111.8L534 M535 V536 L541 M542L534-L538 WeakPolarHBondContact O-CB 3.39Å; L534-L538 PolarHBondContact O-N 2.92Å; M535-L538 WeakPolarHBondContact O-CB 3.33Å; M535-L538 PolarHBondContact O-N 3.31Å; V536-L538 VanDerWaalsContact C-N 3.33Å; V536-L538 PolarHBondContact O-N 2.96Å; L538-L541 PolarHBondContact O-N 3.04Å; L538-M542 WeakPolarHBondContact O-CB 3.34Å; L538-M542 WeakPolarHBondContact O-CG 3.42Å; L538-M542 PolarHBondContact O-N 3.43Å
539E81.4Confident75.6Confident130 Ų130114 Ų11461%0.60757%0.569SS**Hα-helixtrans-63.4-42.3174.4-73179172.200112.2M535 V536 M542 M543M535-E539 WeakPolarHBondContact O-CG 3.39Å; M535-E539 PolarHBondContact O-N 2.84Å; V536-E539 PolarHBondContact O-N 3.04Å; E539-M542 PolarHBondContact O-N 3.08Å; E539-M543 WeakPolarHBondContact O-CB 3.42Å; E539-M543 WeakPolarHBondContact O-CG 3.42Å; E539-M543 PolarHBondContact O-N 3.47Å
540Q83.1Confident73.5Confident118 Ų118115.8 Ų115.855%0.55159%0.589SS**Hα-helixtrans-64.5-41.1174.6-72.6-178.913.200112.2V536 Q537 M543 L544V536-Q540 WeakPolarHBondContact O-CG 3.39Å; V536-Q540 PolarHBondContact O-N 3.49Å; Q537-Q540 PolarHBondContact O-N 3.26Å; Q540-M543 PolarHBondContact O-N 3.34Å; Q540-L544 WeakPolarHBondContact O-CB 3.44Å; Q540-L544 WeakPolarHBondContact O-CG 3.49Å; Q540-L544 PolarHBondContact O-N 3.33Å
541L78.4Confident70.9Confident100 Ų100117.6 Ų117.652%0.52462%0.615SS.*Hα-helixtrans-63.3-42.9173.9-78.1166.4000111.6Q537 L538 M543 L544 L545Q537-L541 WeakPolarHBondContact O-CB 3.46Å; Q537-L541 VanDerWaalsContact O-CG 3.32Å; Q537-L541 WeakPolarHBondContact O-CG 3.36Å; Q537-L541 PolarHBondContact O-N 3.09Å; L538-L541 PolarHBondContact O-N 3.04Å; L541-M543 VanDerWaalsContact C-N 3.33Å; L541-M543 PolarHBondContact O-N 3.07Å; L541-L544 PolarHBondContact O-N 3.26Å; L541-L545 WeakPolarHBondContact O-CB 3.5Å; L541-L545 VanDerWaalsContact O-CG 3.28Å; L541-L545 WeakPolarHBondContact O-CG 3.25Å; L541-L545 PolarHBondContact O-N 3.38Å
542M74.2Confident68.6Low123 Ų123114.7 Ų114.761%0.60662%0.621SS**Hα-helixtrans-62.4-38.6174-75.2-178.665.600112.1L538 E539 K546L538-M542 WeakPolarHBondContact O-CB 3.34Å; L538-M542 WeakPolarHBondContact O-CG 3.42Å; L538-M542 PolarHBondContact O-N 3.43Å; E539-M542 PolarHBondContact O-N 3.08Å; M542-K546 WeakPolarHBondContact O-CB 3.31Å; M542-K546 PolarHBondContact O-N 3.22Å
543M76Confident66.6Low121 Ų121113 Ų11360%0.59663%0.631SS**Hα-helixtrans-66.2-43.5174.1-78.1-72.4-76.100112.5E539 Q540 L541 K546 T547E539-M543 WeakPolarHBondContact O-CB 3.42Å; E539-M543 WeakPolarHBondContact O-CG 3.42Å; E539-M543 PolarHBondContact O-N 3.47Å; Q540-M543 PolarHBondContact O-N 3.34Å; L541-M543 VanDerWaalsContact C-N 3.33Å; L541-M543 PolarHBondContact O-N 3.07Å; M543-K546 CarbonylContact O-C 3.52Å; M543-K546 PolarHBondContact O-N 3.31Å; M543-T547 WeakPolarHBondContact O-CG2 3.48Å; M543-T547 PolarHBondContact O-N 3.41Å; M543-T547 PolarHBondContact O-OG1 2.97Å
544L74.9Confident64.2Low100 Ų100119 Ų11952%0.52465%0.648SS.*Hα-helixtrans-65.3-40.8177.2-73.6167.5000112.4Q540 L541 K546 T547 Q548Q540-L544 WeakPolarHBondContact O-CB 3.44Å; Q540-L544 WeakPolarHBondContact O-CG 3.49Å; Q540-L544 PolarHBondContact O-N 3.33Å; L541-L544 PolarHBondContact O-N 3.26Å; L544-K546 VanDerWaalsContact C-N 3.3Å; L544-K546 PolarHBondContact O-N 2.91Å; L544-T547 PolarHBondContact O-N 3.33Å; L544-T547 PolarHBondContact O-OG1 3.28Å; L544-Q548 PolarHBondContact O-N 3.42Å
545L66.3Low61.6Low133 Ų133119.5 Ų119.570%0.69666%0.661SS**Hα-helixtrans-63.4-38.2172.5-72.6165.8000111.3L541 T547 Q548L541-L545 WeakPolarHBondContact O-CB 3.5Å; L541-L545 VanDerWaalsContact O-CG 3.28Å; L541-L545 WeakPolarHBondContact O-CG 3.25Å; L541-L545 PolarHBondContact O-N 3.38Å; L545-T547 VanDerWaalsContact C-N 3.29Å; L545-T547 PolarHBondContact O-N 3.44Å; L545-Q548 PolarHBondContact O-N 3.42Å
546K61.5Low59.4Low179 Ų179120.8 Ų120.878%0.77868%0.679SS**Hα-helixtrans-71.7-17.8177.8-167.4173.8-176.9-179.40113.8M542 M543 L544M542-K546 WeakPolarHBondContact O-CB 3.31Å; M542-K546 PolarHBondContact O-N 3.22Å; M543-K546 CarbonylContact O-C 3.52Å; M543-K546 PolarHBondContact O-N 3.31Å; L544-K546 VanDerWaalsContact C-N 3.3Å; L544-K546 PolarHBondContact O-N 2.91Å
547T54Low57.8Low104 Ų104123.4 Ų123.464%0.63870%0.697SS**THydrogen-bonded Turntrans-92.3-5.4173.654.60000114.3M543 L544 L545M543-T547 WeakPolarHBondContact O-CG2 3.48Å; M543-T547 PolarHBondContact O-N 3.41Å; M543-T547 PolarHBondContact O-OG1 2.97Å; L544-T547 PolarHBondContact O-N 3.33Å; L544-T547 PolarHBondContact O-OG1 3.28Å; L545-T547 VanDerWaalsContact C-N 3.29Å; L545-T547 PolarHBondContact O-N 3.44Å
548Q51.4Low55.3Low167 Ų167123 Ų12378%0.7871%0.706SS**  trans-11479-179-67.3-162.726.600114.3L544 L545L544-Q548 PolarHBondContact O-N 3.42Å; L545-Q548 PolarHBondContact O-N 3.42Å
549G34.8Very low52.9Low68 Ų68125.8 Ų125.870%0.70172%0.716SS**  trans158.5153.9151.700000115.3
550P44.9Very low50.5Low138 Ų138125 Ų12590%0.89672%0.721SS**SBendcis-108.7144.4-7.236.9-26.8000113
551G32.5Very low48.1Very low83 Ų83127 Ų12786%0.85673%0.733SS**  trans-169.1109.8172.100000112.2
552S36.9Very low45.8Very low110 Ų110127.9 Ų127.977%0.76975%0.748SS**  trans-134.4145.6174.9-167.90000109.2
553P45.4Very low44.2Very low123 Ų123132.8 Ų132.880%0.79976%0.76SS**  -141.8140.9104.835.9-22.6000115.9
554R38.3Very low42.6Very low233 Ų233132.8 Ų132.888%0.87977%0.769SS**  trans9.8128.5145.6-67.4174.7163-177.2-5.3119.2
555S30.3Very low40.8Very low119 Ų119134.3 Ų134.383%0.83278%0.776SS**  -169.4165.1119.633.20000113.1
556S32.4Very low39.5Very low116 Ų116134 Ų13481%0.81178%0.782SS**  trans-150.1178.2175.2-45.80000107
557P54.4Low38.1Very low117 Ų117131.7 Ų131.776%0.7678%0.783SS**  cis-128-168.7-9.542.5-27.2000112.3
558S27.7Very low38.1Very low98 Ų98131.7 Ų131.769%0.68579%0.785SS**  trans163.1144.6133.2-79.30000117.3
559H33.1Very low37.1Very low162 Ų162131.9 Ų131.975%0.7579%0.789SS**  trans41.3104.4144-63.8-61.4000121.5
560T30.3Very low36.8Very low114 Ų114136.4 Ų136.470%0.69979%0.792SS**  70.6119.277.860.60000117.5
561I33.1Very low36.1Very low158 Ų158134.6 Ų134.681%0.8178%0.782SS**  trans163.9144.7130.7-87.6163.1000114.3
562S29.5Very low35.9Very low120 Ų120137.2 Ų137.284%0.83978%0.777SS**  trans80.2141.3159.1-76.60000124.9
563R40.5Very low35.6Very low226 Ų226137 Ų13785%0.85378%0.775SS**  trans-105.4-179.6169.3-105.5-179.2177.5-165.8-0.4108.5
564P42.5Very low34.9Very low121 Ų121136.4 Ų136.479%0.78678%0.781SS**  cis-146-156.431.343.9-21.1000116.8
565I37.9Very low34.4Very low131 Ų131128.8 Ų128.867%0.67278%0.775SS**  trans-110.1148.3-172.3-63.8156.5000110.8T567I565-T567 HydrophobicContact CG2-CG2 4.39Å
566P38.5Very low34.4Very low126 Ų126130.2 Ų130.282%0.81878%0.778SS**  -143-178.5126.734.4-16.7000114.8
567T31Very low34.5Very low131 Ų131131 Ų13180%0.80478%0.779SS**  trans-120.6-132.3-162.543.30000115.9I565I565-T567 HydrophobicContact CG2-CG2 4.39Å
568P54Low33.8Very low104 Ų104130.8 Ų130.868%0.67578%0.777SS**  -126.4-179.2-123.341.2-22000116.5
569I30.2Very low33.9Very low172 Ų172131.9 Ų131.988%0.88278%0.78SS**  trans-138.3158.4166.5-60.7-174.9000110.8
570H29.3Very low33.7Very low163 Ų163132.8 Ų132.876%0.75578%0.784SS**  trans-131165.1-166.5-103.1-100.3000113.9
571S30.8Very low33.5Very low99 Ų99133.1 Ų133.169%0.69279%0.786SS**  trans68.6164.9155-61.20000118.2
572D26.8Very low34.1Very low139 Ų139130.3 Ų130.374%0.74378%0.778SS**  cis-140.2137.98.1-107.6-45.6000110.2
573S31.7Very low34Very low105 Ų105132.6 Ų132.673%0.73478%0.776SS**  74.1111.285.1-61.30000118
574A30.8Very low33.3Very low111 Ų111127.3 Ų127.392%0.91777%0.765SS**  trans-174.5148.3139.300000111.3
575G26.8Very low32.7Very low73 Ų73126.9 Ų126.975%0.75376%0.764SS**  trans-173.9155.1170.800000113
576T30.8Very low33.1Very low148 Ų148128.8 Ų128.891%0.90878%0.775SS**  trans-145.2146.2175.645.90000112.8
577T34.3Very low33Very low134 Ų134132.1 Ų132.182%0.82278%0.782SS**  trans-118.3173.4166.747.50000106.8
578P40.7Very low33.1Very low111 Ų111129.3 Ų129.372%0.72178%0.779SS**  cis-150.3170.629.743.6-21.8000120.3
579T29.4Very low32.7Very low122 Ų122132 Ų13275%0.74879%0.793SS**  trans33.8124.8137.9-50.70000122.4
580H28.4Very low33.4Very low180 Ų180127.6 Ų127.683%0.83379%0.79SS**  trans-163.5156.2130-115.4-78.1000113.6
581T27.5Very low33.9Very low121 Ų121122.3 Ų122.374%0.74278%0.78SS**  trans-150.7-179.8173.963.20000108.4
582P45.4Very low34.7Very low100 Ų100125 Ų12565%0.64979%0.786SS**  cis-130.7-160.3-13.633.1-10.3000113.5
583Q27.4Very low35.5Very low167 Ų167124.6 Ų124.678%0.7879%0.789SS**  trans75151.8161.7-67.2-179.7-93.700118.1
584D26Very low35.6Very low116 Ų116128.3 Ų128.362%0.6280%0.795SS**  cis-154.8159.2-2.5-136.2-50.9000115.4
585S30Very low36.2Very low112 Ų112130.8 Ų130.878%0.78379%0.787SS**  trans61.9160.4143.4-77.60000125.3
586L46Very low36.8Very low170 Ų170131.1 Ų131.189%0.8978%0.783SS**  trans-106.3131.1-170.4-67.6148000113.5
587M35.2Very low37.3Very low197 Ų197133.5 Ų133.597%0.9778%0.781SS**  trans-155.1150.1148.6-62.9-16584.600108
588G33.2Very low37.7Very low72 Ų72130.4 Ų130.474%0.74277%0.769SS**  cis-173.5145.9-7.100000109.4
589V45.9Very low37.6Very low160 Ų160134.8 Ų134.897%0.9778%0.779SS**  trans-104.7117.9-178.31780000109.6
590G45.1Very low37.8Very low80 Ų80132.3 Ų132.383%0.82578%0.778SS**  trans165102174.700000114.1
591G39.4Very low38.6Very low52 Ų52129.4 Ų129.454%0.53678%0.775SS.*  trans-173.5-62.9173.200000112.7V593G591-V593 VanDerWaalsContact C-N 3.25Å; G591-V593 PolarHBondContact O-N 3.06Å
592D47.8Very low39.7Very low154 Ų154135.8 Ų135.882%0.82479%0.786SS**THydrogen-bonded Turntrans-84.726.7-148.3-45.5-25.7000116.1
593V43Very low40Very low132 Ų132141.7 Ų141.780%0.880%0.795SS**THydrogen-bonded Turntrans-98.4-23.7176.9-1750000111.9G591G591-V593 VanDerWaalsContact C-N 3.25Å; G591-V593 PolarHBondContact O-N 3.06Å
594Q34.1Very low41.3Very low182 Ų182139.2 Ų139.285%0.8579%0.787SS**SBendtrans-95.7-14.7-172.1-163.2146.512.600114.6
595E43.4Very low42.9Very low164 Ų164139.9 Ų139.977%0.76679%0.79SS**SBendtrans-88.3-17.6-177.7-155158.1-133.700113.3F597 A598E595-F597 PolarHBondContact O-N 3.17Å; E595-A598 PolarHBondContact O-N 3.48Å
596A40.3Very low43.8Very low79 Ų79144.1 Ų144.165%0.65379%0.789SS**THydrogen-bonded Turntrans-67.5-2.6-176.100000116.2
597F41Very low44.3Very low199 Ų199140.7 Ų140.787%0.87377%0.772SS**THydrogen-bonded Turntrans-120.38.7-175.2-85.3-82.5000114.9E595E595-F597 PolarHBondContact O-N 3.17Å
598A42.8Very low45.8Very low68 Ų68135.4 Ų135.456%0.56275%0.747SS**SBendtrans-115.9126.8-177.900000113.4E595E595-A598 PolarHBondContact O-N 3.48Å
599Q38.8Very low47.4Very low203 Ų203137.4 Ų137.495%0.94974%0.74SS**  trans78.5129.8167.8-45.5-17548.800117.7
600G33Very low48.1Very low70 Ų70134.2 Ų134.272%0.72272%0.717SS**  trans142.1122.7174.400000113.7
601P44.6Very low49.2Very low119 Ų119135.5 Ų135.577%0.77370%0.704SS**  trans-86.7142.8-172.633-34.7000114.2R603P601-R603 PolarHBondContact O-N 3.19Å
602R51.9Low50.7Low256 Ų256135.2 Ų135.297%0.96670%0.697SS**  trans-6493.4-179.9-71.4178.5171.3170.7-3.6113.5
603R50.9Low51.6Low223 Ų223130.1 Ų130.184%0.84268%0.676SS**  trans-148.6131.4166.8-67-172.7-177.3168.51.5109.3P601P601-R603 PolarHBondContact O-N 3.19Å
604N54.2Low52.6Low116 Ų116128.5 Ų128.562%0.6266%0.663SS**  cis-114.5-49.8-8.2-72-28.2000111.6R606N604-R606 PolarHBondContact O-N 3.11Å
605L59.4Low54.4Low129 Ų129123.3 Ų123.368%0.67565%0.646SS**SBendtrans62.5-50.8179.3-140.981.5000116.2N607 D608 L609L605-N607 VanDerWaalsContact C-N 3.3Å; L605-N607 PolarHBondContact O-N 3.46Å; L605-D608 WeakPolarHBondContact CA-OD2 3.42Å; L605-D608 PolarHBondContact N-OD2 2.8Å; L605-D608 PolarHBondContact O-N 2.76Å; L605-L609 HydrophobicContact CG-CD1 4.49Å; L605-L609 WeakPolarHBondContact O-CB 3.48Å; L605-L609 PolarHBondContact O-N 2.94Å
606R50.9Low55.9Low202 Ų202120.6 Ų120.676%0.76264%0.636SS**Hα-helixtrans-63.1-35.7-179-177.8179178.6-174.60.1112.6N604 L610N604-R606 PolarHBondContact O-N 3.11Å; R606-L610 HydrophobicContact CG-CD1 4.49Å; R606-L610 WeakPolarHBondContact O-CG 3.37Å; R606-L610 PolarHBondContact O-N 3Å
607N54.9Low57.4Low98 Ų98120.6 Ų120.652%0.52463%0.628SS.*Hα-helixtrans-73.4-39179.7-136.160.1000111L605 L610 I611L605-N607 VanDerWaalsContact C-N 3.3Å; L605-N607 PolarHBondContact O-N 3.46Å; N607-L610 PolarHBondContact O-N 3.24Å; N607-I611 WeakPolarHBondContact O-CG1 3.49Å; N607-I611 PolarHBondContact O-N 2.98Å
608D67.6Low58.9Low86 Ų86116.5 Ų116.546%0.4662%0.615SS.*Hα-helixtrans-68.2-38.7179.9-41.3-56.8000110.3L605 I611 A612L605-D608 WeakPolarHBondContact CA-OD2 3.42Å; L605-D608 PolarHBondContact N-OD2 2.8Å; L605-D608 PolarHBondContact O-N 2.76Å; D608-I611 PolarHBondContact O-N 3.29Å; D608-A612 WeakPolarHBondContact O-CB 3.44Å; D608-A612 PolarHBondContact O-N 2.93Å
609L66.1Low60.5Low113 Ų113117.6 Ų117.659%0.59262%0.615SS**Hα-helixtrans-62.9-36.4170.1-97.9150.5000113.9L605 A613L605-L609 HydrophobicContact CG-CD1 4.49Å; L605-L609 WeakPolarHBondContact O-CB 3.48Å; L605-L609 PolarHBondContact O-N 2.94Å; L609-A613 WeakPolarHBondContact O-CB 3.4Å; L609-A613 PolarHBondContact O-N 3.47Å
610L61.1Low61.4Low93 Ų93113 Ų11349%0.48760%0.595SS.*Hα-helixtrans-69.1-45.3175.6-77.5164.1000111.3R606 N607 A612 A613 D614R606-L610 HydrophobicContact CG-CD1 4.49Å; R606-L610 WeakPolarHBondContact O-CG 3.37Å; R606-L610 PolarHBondContact O-N 3Å; N607-L610 PolarHBondContact O-N 3.24Å; L610-A612 VanDerWaalsContact C-N 3.31Å; L610-A612 PolarHBondContact O-N 2.99Å; L610-A613 PolarHBondContact O-N 2.71Å; L610-A613 VanDerWaalsContact O-N 3.15Å; L610-D614 PolarHBondContact O-N 3.49Å
611I69Low62.8Low108 Ų108112.5 Ų112.555%0.55458%0.581SS**Hα-helixtrans-62.3-39.3176.9-65.5163.8000110.9N607 D608 S615N607-I611 WeakPolarHBondContact O-CG1 3.49Å; N607-I611 PolarHBondContact O-N 2.98Å; D608-I611 PolarHBondContact O-N 3.29Å; I611-S615 WeakPolarHBondContact O-CB 3.45Å; I611-S615 PolarHBondContact O-N 3.38Å
612A70.8Confident63.8Low46 Ų46110.2 Ų110.238%0.3857%0.567SS.*Hα-helixtrans-64.3-41.9173.300000112.6D608 L610 S615 I616D608-A612 WeakPolarHBondContact O-CB 3.44Å; D608-A612 PolarHBondContact O-N 2.93Å; L610-A612 VanDerWaalsContact C-N 3.31Å; L610-A612 PolarHBondContact O-N 2.99Å; A612-S615 PolarHBondContact O-N 3.45Å; A612-I616 WeakPolarHBondContact O-CG1 3.3Å; A612-I616 PolarHBondContact O-N 3.5Å
613A65.8Low64.4Low46 Ų46102 Ų10238%0.3854%0.542SS..Hα-helixtrans-64-41.5177.600000112.4L609 L610 I616 T617L609-A613 WeakPolarHBondContact O-CB 3.4Å; L609-A613 PolarHBondContact O-N 3.47Å; L610-A613 PolarHBondContact O-N 2.71Å; L610-A613 VanDerWaalsContact O-N 3.15Å; A613-I616 PolarHBondContact O-N 3.04Å; A613-T617 WeakPolarHBondContact O-CB 3.27Å; A613-T617 PolarHBondContact O-N 3.01Å; A613-T617 PolarHBondContact O-OG1 2.9Å
614D63.8Low65.3Low99 Ų9995.1 Ų95.153%0.52952%0.524SS..Hα-helixtrans-66.7-38.9175-74.9-21.9000111.4L610 I616 T617 N618L610-D614 PolarHBondContact O-N 3.49Å; D614-I616 PolarHBondContact O-N 3.43Å; D614-T617 PolarHBondContact O-N 3.03Å; D614-N618 WeakPolarHBondContact O-CB 3.28Å; D614-N618 PolarHBondContact O-N 3.09Å; D614-N618 PolarHBondContact O-ND2 3.04Å
615S72.4Confident65.8Low72 Ų7297.3 Ų97.350%0.50353%0.529SS..Hα-helixtrans-60.9-44.3175.5-173.60000112.4I611 A612 N618 T619I611-S615 WeakPolarHBondContact O-CB 3.45Å; I611-S615 PolarHBondContact O-N 3.38Å; A612-S615 PolarHBondContact O-N 3.45Å; S615-N618 PolarHBondContact O-N 3.05Å; S615-T619 PolarHBondContact O-N 3.25Å; S615-T619 VanDerWaalsContact O-N 3.07Å; S615-T619 PolarHBondContact O-OG1 3.19Å
616I74Confident66.1Low108 Ų10896.6 Ų96.655%0.55452%0.522SS*.Hα-helixtrans-65.9-41.3175.4-66.7165.1000110.9A612 A613 D614 N618 T619 M620A612-I616 WeakPolarHBondContact O-CG1 3.3Å; A612-I616 PolarHBondContact O-N 3.5Å; A613-I616 PolarHBondContact O-N 3.04Å; D614-I616 PolarHBondContact O-N 3.43Å; I616-N618 VanDerWaalsContact C-N 3.34Å; I616-N618 PolarHBondContact O-N 3.28Å; I616-T619 WeakPolarHBondContact CA-OG1 3.35Å; I616-T619 PolarHBondContact O-N 3.48Å; I616-T619 PolarHBondContact O-OG1 3.07Å; I616-T619 VanDerWaalsContact O-OG1 3.09Å; I616-M620 HydrophobicContact CG2-CG 4.34Å; I616-M620 WeakPolarHBondContact O-CB 3.29Å; I616-M620 VanDerWaalsContact O-CG 3.28Å; I616-M620 WeakPolarHBondContact O-CG 3.45Å; I616-M620 PolarHBondContact O-N 2.77Å
617T72.3Confident66.6Low79 Ų7992.8 Ų92.849%0.48552%0.516SS..Hα-helixtrans-62.9-41.2178.7-58.60000111.8A613 D614 S621A613-T617 WeakPolarHBondContact O-CB 3.27Å; A613-T617 PolarHBondContact O-N 3.01Å; A613-T617 PolarHBondContact O-OG1 2.9Å; D614-T617 PolarHBondContact O-N 3.03Å; T617-S621 VanDerWaalsContact O-CB 3.3Å; T617-S621 WeakPolarHBondContact O-CB 3.46Å; T617-S621 PolarHBondContact O-N 3.2Å; T617-S621 PolarHBondContact O-OG 3.2Å
618N72.4Confident66.2Low113 Ų11394.4 Ų94.460%0.60453%0.525SS*.Hα-helixtrans-70.2-43.5178.7-76.9-61.1000112.8D614 S615 I616 S621 S622D614-N618 WeakPolarHBondContact O-CB 3.28Å; D614-N618 PolarHBondContact O-N 3.09Å; D614-N618 PolarHBondContact O-ND2 3.04Å; S615-N618 PolarHBondContact O-N 3.05Å; I616-N618 VanDerWaalsContact C-N 3.34Å; I616-N618 PolarHBondContact O-N 3.28Å; N618-S621 PolarHBondContact O-N 3.33Å; N618-S622 PolarHBondContact O-N 3.02Å
619T75.8Confident65.2Low90 Ų9094.7 Ų94.755%0.55253%0.533SS*.Hα-helixtrans-63.9-44.7176.240.10000112S615 I616 S621 S622 L623S615-T619 PolarHBondContact O-N 3.25Å; S615-T619 VanDerWaalsContact O-N 3.07Å; S615-T619 PolarHBondContact O-OG1 3.19Å; I616-T619 WeakPolarHBondContact CA-OG1 3.35Å; I616-T619 PolarHBondContact O-N 3.48Å; I616-T619 PolarHBondContact O-OG1 3.07Å; I616-T619 VanDerWaalsContact O-OG1 3.09Å; T619-S621 VanDerWaalsContact C-N 3.3Å; T619-S621 PolarHBondContact O-N 3.01Å; T619-S622 PolarHBondContact O-N 3.2Å; T619-L623 PolarHBondContact O-N 2.98Å
620M59.6Low64.1Low106 Ų10697.5 Ų97.552%0.52254%0.543SS..Hα-helixtrans-59.9-38.4172.8-73-63.5-60.100112.6I616 S622 V624I616-M620 HydrophobicContact CG2-CG 4.34Å; I616-M620 WeakPolarHBondContact O-CB 3.29Å; I616-M620 VanDerWaalsContact O-CG 3.28Å; I616-M620 WeakPolarHBondContact O-CG 3.45Å; I616-M620 PolarHBondContact O-N 2.77Å; M620-S622 VanDerWaalsContact C-N 3.34Å; M620-S622 PolarHBondContact O-N 2.97Å; M620-V624 WeakPolarHBondContact O-CB 3.41Å; M620-V624 VanDerWaalsContact O-CG2 3.27Å; M620-V624 WeakPolarHBondContact O-CG2 3.37Å; M620-V624 PolarHBondContact O-N 2.73Å
621S61.1Low63.2Low61 Ų6196.7 Ų96.743%0.42756%0.557SS.*Hα-helixtrans-68.8-30.1177.6-61.90000113.2T617 N618 T619 K625T617-S621 VanDerWaalsContact O-CB 3.3Å; T617-S621 WeakPolarHBondContact O-CB 3.46Å; T617-S621 PolarHBondContact O-N 3.2Å; T617-S621 PolarHBondContact O-OG 3.2Å; N618-S621 PolarHBondContact O-N 3.33Å; T619-S621 VanDerWaalsContact C-N 3.3Å; T619-S621 PolarHBondContact O-N 3.01Å; S621-K625 PolarHBondContact O-N 3.3Å
622S65.1Low61.8Low71 Ų7194.7 Ų94.750%0.49756%0.563SS.*Hα-helixtrans-73.3-48.8173.8-154.90000111.2N618 T619 M620 V624 K625 E626N618-S622 PolarHBondContact O-N 3.02Å; T619-S622 PolarHBondContact O-N 3.2Å; M620-S622 VanDerWaalsContact C-N 3.34Å; M620-S622 PolarHBondContact O-N 2.97Å; S622-V624 PolarHBondContact O-N 3.27Å; S622-K625 WeakPolarHBondContact O-CB 3.24Å; S622-K625 PolarHBondContact O-N 2.88Å; S622-E626 PolarHBondContact O-N 3.27Å; S622-E626 VanDerWaalsContact O-N 3.08Å
623L64.6Low60Low84 Ų8498.1 Ų98.144%0.4459%0.585SS.*Hα-helixtrans-58.1-36.6178.1-167.575.7000112.2T619 E626 L627T619-L623 PolarHBondContact O-N 2.98Å; L623-E626 PolarHBondContact O-N 2.93Å; L623-L627 HydrophobicContact CG-CD1 4.17Å; L623-L627 WeakPolarHBondContact O-CB 3.47Å; L623-L627 VanDerWaalsContact O-CG 3.29Å; L623-L627 WeakPolarHBondContact O-CG 3.4Å; L623-L627 PolarHBondContact O-N 3.27Å
624V71.4Confident58.5Low77 Ų77104.3 Ų104.347%0.46761%0.606SS.*Hα-helixtrans-69.3-28.9175.3168.20000112.5M620 S622 N628M620-V624 WeakPolarHBondContact O-CB 3.41Å; M620-V624 VanDerWaalsContact O-CG2 3.27Å; M620-V624 WeakPolarHBondContact O-CG2 3.37Å; M620-V624 PolarHBondContact O-N 2.73Å; S622-V624 PolarHBondContact O-N 3.27Å; V624-N628 PolarHBondContact O-ND2 2.73Å
625K63.4Low56.9Low163 Ų163106.1 Ų106.171%0.70962%0.621SS**Hα-helixtrans-71.2-47.3172.1-73.1176.6178179.50111.1S621 S622 L627 N628 S629S621-K625 PolarHBondContact O-N 3.3Å; S622-K625 WeakPolarHBondContact O-CB 3.24Å; S622-K625 PolarHBondContact O-N 2.88Å; K625-L627 PolarHBondContact O-N 3.29Å; K625-N628 WeakPolarHBondContact O-CB 3.45Å; K625-N628 PolarHBondContact O-N 3Å; K625-S629 PolarHBondContact O-N 3.17Å; K625-S629 PolarHBondContact O-OG 3.3Å
626E65.4Low54.9Low114 Ų114112.2 Ų112.253%0.53364%0.641SS.*Hα-helixtrans-57.6-46.4-178.3-156.1159.8-127.600111.7S622 L623 N628 S629S622-E626 PolarHBondContact O-N 3.27Å; S622-E626 VanDerWaalsContact O-N 3.08Å; L623-E626 PolarHBondContact O-N 2.93Å; E626-N628 PolarHBondContact O-N 3.46Å; E626-S629 WeakPolarHBondContact CA-OG 3.41Å; E626-S629 PolarHBondContact O-N 2.94Å; E626-S629 PolarHBondContact O-OG 3.17Å
627L61.8Low52.9Low122 Ų122111.6 Ų111.664%0.63965%0.647SS**Hα-helixtrans-67.5-10.3174.9-70.5171.9000115.1L623 K625L623-L627 HydrophobicContact CG-CD1 4.17Å; L623-L627 WeakPolarHBondContact O-CB 3.47Å; L623-L627 VanDerWaalsContact O-CG 3.29Å; L623-L627 WeakPolarHBondContact O-CG 3.4Å; L623-L627 PolarHBondContact O-N 3.27Å; K625-L627 PolarHBondContact O-N 3.29Å
628N47.3Very low50.7Low132 Ų132116.4 Ų116.471%0.70667%0.669SS**Hα-helixtrans-97.1-9.2172.2-80-67.3000113V624 K625 E626V624-N628 PolarHBondContact O-ND2 2.73Å; K625-N628 WeakPolarHBondContact O-CB 3.45Å; K625-N628 PolarHBondContact O-N 3Å; E626-N628 PolarHBondContact O-N 3.46Å
629S46.3Very low48.8Very low92 Ų92118.6 Ų118.664%0.64368%0.679SS**Hα-helixtrans-90.3-30.5178.120.60000114.6K625 E626 G631K625-S629 PolarHBondContact O-N 3.17Å; K625-S629 PolarHBondContact O-OG 3.3Å; E626-S629 WeakPolarHBondContact CA-OG 3.41Å; E626-S629 PolarHBondContact O-N 2.94Å; E626-S629 PolarHBondContact O-OG 3.17Å; S629-G631 VanDerWaalsContact C-N 3.35Å; S629-G631 PolarHBondContact O-N 2.98Å
630E43.7Very low46.3Very low171 Ų171122 Ų12280%0.79969%0.694SS**SBendtrans-93.523.9-173.3-59.3-168.612100114.4
631G42.4Very low44.9Very low76 Ų76121.7 Ų121.778%0.78470%0.702SS**  trans-100.945.8-166.600000116.8S629S629-G631 VanDerWaalsContact C-N 3.35Å; S629-G631 PolarHBondContact O-N 2.98Å
632G37.7Very low43.2Very low66 Ų66126.2 Ų126.268%0.6872%0.722SS**  trans-143.8120.9-175.900000115.3
633S34.6Very low41.4Very low119 Ų119132.5 Ų132.583%0.83274%0.74SS**  trans64.1142.8-175.1-111.80000114.4
634E32.5Very low39.6Very low175 Ų175131.9 Ų131.982%0.81875%0.754SS**  cis-126.8166.6-0.7-65.9179.1148.700110
635T31.6Very low37.4Very low137 Ų137137.4 Ų137.484%0.8478%0.775SS**  trans-15090174.4-49.10000111.3
636E30.4Very low35.6Very low200 Ų200135.2 Ų135.294%0.93578%0.779SS**  trans-67.3144.9162.9-74.5-147.2126.100110.6
637S31.3Very low33.6Very low96 Ų96137.8 Ų137.867%0.67180%0.797SS**  trans-117.7132.2-168.760.90000111.8
638L26.5Very low31.9Very low180 Ų180139.5 Ų139.594%0.94281%0.805SS**  trans-126.9115.2156.4-132.196.1000107.3
639L32.3Very low30.9Very low159 Ų159142 Ų14283%0.83282%0.815SS**  trans-89.7131.8-176.1-71.9170.6000110.9
640D23.7Very low29.9Very low160 Ų160142 Ų14286%0.85682%0.82SS**  trans-93.2129.6161.9-174.514.9000107.9
641S29.6Very low29.4Very low100 Ų100139.1 Ų139.170%0.69982%0.816SS**  trans-157.973-169.5178.50000112.6
642D25.1Very low28.5Very low156 Ų156142.6 Ų142.683%0.83482%0.823SS**  trans-89.8119.8170.4-147.12.5000110.6
643F27.8Very low27.7Very low203 Ų203144.8 Ų144.889%0.8983%0.828SS**  trans-149.2114.8174-106.5-75.8000109.4
644G26.2Very low27.2Very low71 Ų71144.7 Ų144.773%0.73283%0.827SS**  trans-114.6119.317900000113.2
645Q26.1Very low26.8Very low194 Ų194143.1 Ų143.191%0.90782%0.824SS**  trans-161136.6145.2-164.584.633.300107.3
646C24.7Very low26.3Very low117 Ų117146.2 Ų146.279%0.79183%0.826SS**  trans-88.8151.1177.8-560000111.8
647D23.6Very low26Very low168 Ų168145.4 Ų145.490%0.89882%0.816SS**  trans-156.4172.1131.9-117.4-34.4000112
648L26.7Very low25.7Very low157 Ų157149.2 Ų149.282%0.82282%0.821SS**  trans-107.9160.4-161.2-91.1156.6000116.2
649M25.9Very low25.5Very low186 Ų186146.9 Ų146.992%0.91681%0.814SS**  trans102.1131.7157.8-54.4-152170.900119.9
650A24.8Very low25Very low90 Ų90149.9 Ų149.974%0.74482%0.816SS**  trans-112.3-177.8161.400000107.2
651P34.1Very low25.1Very low111 Ų111151.7 Ų151.772%0.72182%0.816SS**  cis-138.9-175.38.343.7-26.2000114.9
652T23.1Very low25Very low150 Ų150152.5 Ų152.592%0.9282%0.819SS**  179.5173.812526.40000111.4
653S22Very low25.2Very low112 Ų112155.9 Ų155.978%0.78382%0.82SS**  trans-127.2148.8-167.156.60000113.7
654S23.7Very low25.4Very low116 Ų116152 Ų15281%0.81182%0.815SS**  trans-170.2146.2138.250.10000112.3
655D23.1Very low25.7Very low142 Ų142152.4 Ų152.476%0.75981%0.812SS**  trans-78.6170.8179.4-46.4-97.5000113.9
656F22.8Very low25.7Very low202 Ų202154.4 Ų154.489%0.88681%0.811SS**  -167.9146.4121.5-105.3-67.4000114.6
657Y23.5Very low26.2Very low184 Ų184153.1 Ų153.172%0.72281%0.809SS**  trans-60.6169.5168.8-63-96.7000113.1
658F25.1Very low26.7Very low176 Ų176148.7 Ų148.777%0.77280%0.795SS**  cis-153.6-162.34.7-123.6-34.4000107.5
659T22.3Very low27.2Very low130 Ų130148.3 Ų148.380%0.79879%0.79SS**  cis-155.7173.512.8-22.30000110.4
660Y22.2Very low27.8Very low222 Ų222146.5 Ų146.587%0.87178%0.779SS**  trans-103.7146.4170.5-121.5-98.2000112.1
661K24.7Very low28.3Very low199 Ų199149.4 Ų149.487%0.86578%0.777SS**  trans-179.3171.4142.2-102.7-173.3177.2-178.20113.4
662P28.5Very low28.4Very low117 Ų117147.7 Ų147.776%0.7677%0.767SS**  trans-127.2-175.6-131.246.2-32.4000118.5
663R29Very low29.3Very low227 Ų227148 Ų14886%0.85776%0.756SS**  trans-53.6147.9176.1-147.4-177.5-172.9-177.91.4114.7
664P32.2Very low30.5Very low120 Ų120149.2 Ų149.278%0.77975%0.75SS**  -134.1137.398.835-23.4000112
665A30.8Very low31.4Very low80 Ų80149.4 Ų149.466%0.66174%0.741SS**  76.6116.468.300000114.2
666R27.8Very low32.5Very low236 Ų236145.9 Ų145.989%0.89173%0.728SS**  trans-137.9126.5162.6-99.2-173.8170.9-174.4-3.3106.7
667A34.3Very low33.8Very low91 Ų91141 Ų14175%0.75271%0.71SS**  trans-125.183.7177.400000106.9
668A33.2Very low35.1Very low74 Ų74137.6 Ų137.661%0.61271%0.705SS**  trans-149.97.1-171.600000113.3
669E37.6Very low36.2Very low150 Ų150135.8 Ų135.870%0.70170%0.699SS**SBendtrans-114.4-16.8-177.5-68170.2179.700111.6S672E669-S672 PolarHBondContact O-OG 3.39Å
670E37.9Very low37.8Very low147 Ų147135.2 Ų135.269%0.68769%0.687SS**SBendtrans-77.7-45.3-179.8-67.3169.8137.300111.6S672 F673 E674E670-S672 PolarHBondContact O-N 3.08Å; E670-S672 VanDerWaalsContact O-N 3.15Å; E670-F673 PolarHBondContact O-N 3.38Å; E670-E674 PolarHBondContact O-N 3.33Å
671E35.6Very low39.4Very low151 Ų151129.2 Ų129.271%0.70667%0.67SS**Hα-helixtrans-61.1-24.9177.9-67.9-174.5156.300113.6N675E671-N675 PolarHBondContact O-ND2 3.06Å
672S36.5Very low41Very low75 Ų75125.5 Ų125.552%0.52466%0.655SS.*Hα-helixtrans-76.8-23.3174.7520000113.9E669 E670E669-S672 PolarHBondContact O-OG 3.39Å; E670-S672 PolarHBondContact O-N 3.08Å; E670-S672 VanDerWaalsContact O-N 3.15Å
673F42.3Very low42.7Very low157 Ų157126.4 Ų126.469%0.68965%0.65SS**Hα-helixtrans-83-41.3-178.7-108.5-88.9000112.2E670 S676 L677E670-F673 PolarHBondContact O-N 3.38Å; F673-S676 PolarHBondContact O-N 3.43Å; F673-L677 PolarHBondContact O-N 3.28Å; F673-L677 VanDerWaalsContact O-N 3.15Å
674E47.2Very low44.3Very low138 Ų138122.1 Ų122.165%0.64564%0.639SS**Hα-helixtrans-63.6-46.8-179.9-64.4-172.514100111.7E670 S676 L677 D678E670-E674 PolarHBondContact O-N 3.33Å; E674-S676 PolarHBondContact O-N 2.87Å; E674-L677 PolarHBondContact O-N 3.17Å; E674-D678 PolarHBondContact O-N 2.75Å; E674-D678 VanDerWaalsContact O-N 3.08Å
675N42.3Very low45.8Very low119 Ų119121.3 Ų121.364%0.63663%0.628SS**Hα-helixtrans-58.2-31.6175.2-77.7-83.3000113.2E671 Q679E671-N675 PolarHBondContact O-ND2 3.06Å; N675-Q679 WeakPolarHBondContact O-CB 3.46Å; N675-Q679 PolarHBondContact O-N 3.45Å
676S47.5Very low47.5Very low68 Ų68122.1 Ų122.148%0.47662%0.616SS.*Hα-helixtrans-77.2-24.2176.5-170.10000113F673 E674F673-S676 PolarHBondContact O-N 3.43Å; E674-S676 PolarHBondContact O-N 2.87Å
677L49.4Very low49.5Very low99 Ų99116.2 Ų116.252%0.51860%0.602SS.*Hα-helixtrans-82-44.3-179.9-136.381.2000111.3F673 E674 Q679 Q680 L681F673-L677 PolarHBondContact O-N 3.28Å; F673-L677 VanDerWaalsContact O-N 3.15Å; E674-L677 PolarHBondContact O-N 3.17Å; L677-Q679 VanDerWaalsContact C-N 3.33Å; L677-Q679 PolarHBondContact O-N 3.4Å; L677-Q680 WeakPolarHBondContact O-CB 3.5Å; L677-Q680 PolarHBondContact O-N 3.37Å; L677-Q680 VanDerWaalsContact O-N 3.1Å; L677-L681 PolarHBondContact O-N 3.16Å
678D50.2Low51.1Low113 Ų113118.5 Ų118.560%0.60460%0.597SS**Hα-helixtrans-62.2-41.5177.5-75.6-25.8000111.5E674 Q680 L681 E682E674-D678 PolarHBondContact O-N 2.75Å; E674-D678 VanDerWaalsContact O-N 3.08Å; D678-Q680 PolarHBondContact O-N 3.04Å; D678-L681 PolarHBondContact O-N 2.88Å; D678-E682 PolarHBondContact O-N 3Å
679Q48.3Very low52.8Low138 Ų138121.7 Ų121.765%0.64560%0.599SS**Hα-helixtrans-62-33.3175-174.51634300112.3N675 L677 E683N675-Q679 WeakPolarHBondContact O-CB 3.46Å; N675-Q679 PolarHBondContact O-N 3.45Å; L677-Q679 VanDerWaalsContact C-N 3.33Å; L677-Q679 PolarHBondContact O-N 3.4Å; Q679-E683 PolarHBondContact O-N 3.38Å
680Q56.4Low54.2Low119 Ų119119.9 Ų119.956%0.55659%0.594SS**Hα-helixtrans-75.4-39.9179-160169.76.900111.9L677 D678 E682 E683 E684L677-Q680 WeakPolarHBondContact O-CB 3.5Å; L677-Q680 PolarHBondContact O-N 3.37Å; L677-Q680 VanDerWaalsContact O-N 3.1Å; D678-Q680 PolarHBondContact O-N 3.04Å; Q680-E682 VanDerWaalsContact C-N 3.32Å; Q680-E682 PolarHBondContact O-N 3.24Å; Q680-E683 PolarHBondContact O-N 3.07Å; Q680-E684 PolarHBondContact O-N 2.87Å; Q680-E684 VanDerWaalsContact O-N 3.15Å
681L54.8Low55.7Low96 Ų96116.2 Ų116.250%0.50358%0.581SS.*Hα-helixtrans-61.3-40170.4-10582.6000112.1L677 D678 E683 E684 L685L677-L681 PolarHBondContact O-N 3.16Å; D678-L681 PolarHBondContact O-N 2.88Å; L681-E683 PolarHBondContact O-N 3.1Å; L681-E684 PolarHBondContact O-N 3.39Å; L681-L685 PolarHBondContact O-N 3.48Å
682E58.4Low57.2Low120 Ų120115.7 Ų115.756%0.56158%0.577SS**Hα-helixtrans-72.6-15.4-179.4-143.7-163-127.700112.9D678 Q680 K686D678-E682 PolarHBondContact O-N 3Å; Q680-E682 VanDerWaalsContact C-N 3.32Å; Q680-E682 PolarHBondContact O-N 3.24Å; E682-K686 WeakPolarHBondContact O-CD 3.46Å; E682-K686 WeakPolarHBondContact O-CE 3.44Å; E682-K686 VanDerWaalsContact O-CG 3.24Å; E682-K686 WeakPolarHBondContact O-CG 3.43Å; E682-K686 PolarHBondContact O-NZ 3.5Å; E682-K686 IonicContact OE2-NZ 3.92Å; E682-K686 PolarHBondContact OE2-NZ 3.09Å
683E65.4Low58.4Low137 Ų137118.2 Ų118.264%0.6458%0.58SS**Hα-helixtrans-84.6-41.1167.7-72.6-165.1154.700112.3Q679 Q680 L681 L685 K686 L687Q679-E683 PolarHBondContact O-N 3.38Å; Q680-E683 PolarHBondContact O-N 3.07Å; L681-E683 PolarHBondContact O-N 3.1Å; E683-L685 PolarHBondContact O-N 3.26Å; E683-K686 PolarHBondContact O-N 3.41Å; E683-L687 PolarHBondContact O-N 3.28Å
684E62.8Low59.4Low136 Ų136118.3 Ų118.364%0.63658%0.576SS**Hα-helixtrans-61.6-42.5174.7-72-161.6138.300112.2Q680 L681 K686 L687 E688Q680-E684 PolarHBondContact O-N 2.87Å; Q680-E684 VanDerWaalsContact O-N 3.15Å; L681-E684 PolarHBondContact O-N 3.39Å; E684-K686 PolarHBondContact O-N 2.94Å; E684-L687 WeakPolarHBondContact O-CB 3.39Å; E684-L687 PolarHBondContact O-N 3.15Å; E684-L687 VanDerWaalsContact O-N 3.11Å; E684-E688 PolarHBondContact O-N 3.12Å
685L63.8Low60Low103 Ų103116.7 Ų116.754%0.53957%0.568SS.*Hα-helixtrans-60.8-41.9176.1-84.7162000112.7L681 E683 L687 E688 E689L681-L685 PolarHBondContact O-N 3.48Å; E683-L685 PolarHBondContact O-N 3.26Å; L685-L687 VanDerWaalsContact C-N 3.29Å; L685-L687 PolarHBondContact O-N 3.48Å; L685-E688 PolarHBondContact O-N 3.11Å; L685-E689 PolarHBondContact O-N 3.48Å
686K66.8Low60.8Low98 Ų98116.3 Ų116.343%0.42656%0.563SS.*Hα-helixtrans-66.8-32.7175.1-69.5178.3-162.9100.80111.7E682 E683 E684 L690E682-K686 WeakPolarHBondContact O-CD 3.46Å; E682-K686 WeakPolarHBondContact O-CE 3.44Å; E682-K686 VanDerWaalsContact O-CG 3.24Å; E682-K686 WeakPolarHBondContact O-CG 3.43Å; E682-K686 PolarHBondContact O-NZ 3.5Å; E682-K686 IonicContact OE2-NZ 3.92Å; E682-K686 PolarHBondContact OE2-NZ 3.09Å; E683-K686 PolarHBondContact O-N 3.41Å; E684-K686 PolarHBondContact O-N 2.94Å; K686-L690 WeakPolarHBondContact O-CB 3.37Å; K686-L690 VanDerWaalsContact O-CG 3.29Å; K686-L690 WeakPolarHBondContact O-CG 3.3Å; K686-L690 PolarHBondContact O-N 3Å
687L68.7Low61.3Low112 Ų112116.4 Ų116.459%0.58656%0.561SS**Hα-helixtrans-70.2-40.6175.8-166.765.9000111.7E683 E684 L685 L690 V691E683-L687 PolarHBondContact O-N 3.28Å; E684-L687 WeakPolarHBondContact O-CB 3.39Å; E684-L687 PolarHBondContact O-N 3.15Å; E684-L687 VanDerWaalsContact O-N 3.11Å; L685-L687 VanDerWaalsContact C-N 3.29Å; L685-L687 PolarHBondContact O-N 3.48Å; L687-L690 PolarHBondContact O-N 3.46Å; L687-V691 WeakPolarHBondContact O-CG2 3.43Å; L687-V691 PolarHBondContact O-N 2.9Å
688E67.6Low61.6Low139 Ų139116.1 Ų116.165%0.6556%0.56SS**Hα-helixtrans-61.1-46.4171.7-76.4-149.2129.700111.9E684 L685 L690 V691 K692E684-E688 PolarHBondContact O-N 3.12Å; L685-E688 PolarHBondContact O-N 3.11Å; E688-L690 VanDerWaalsContact C-N 3.33Å; E688-L690 PolarHBondContact O-N 2.98Å; E688-V691 PolarHBondContact O-N 3.33Å; E688-V691 VanDerWaalsContact O-N 3.17Å; E688-K692 WeakPolarHBondContact O-CB 3.32Å; E688-K692 PolarHBondContact O-N 3.01Å
689E68.4Low61.9Low140 Ų140116.7 Ų116.765%0.65456%0.557SS**Hα-helixtrans-60.2-40.8176.3-72.7-162.9136.800112.2L685 V691 K692 H693L685-E689 PolarHBondContact O-N 3.48Å; E689-V691 VanDerWaalsContact C-N 3.34Å; E689-V691 PolarHBondContact O-N 3.32Å; E689-K692 PolarHBondContact O-N 3.15Å; E689-H693 WeakPolarHBondContact O-CB 3.29Å; E689-H693 PolarHBondContact O-N 3.34Å
690L66.9Low62.1Low112 Ų112114.5 Ų114.559%0.58655%0.553SS**Hα-helixtrans-66.3-30.7175.5-77.1168.6000113.7K686 L687 E688 R694K686-L690 WeakPolarHBondContact O-CB 3.37Å; K686-L690 VanDerWaalsContact O-CG 3.29Å; K686-L690 WeakPolarHBondContact O-CG 3.3Å; K686-L690 PolarHBondContact O-N 3Å; L687-L690 PolarHBondContact O-N 3.46Å; E688-L690 VanDerWaalsContact C-N 3.33Å; E688-L690 PolarHBondContact O-N 2.98Å; L690-R694 WeakPolarHBondContact O-CB 3.36Å; L690-R694 PolarHBondContact O-N 3.44Å
691V70.1Confident61.9Low71 Ų71112.4 Ų112.443%0.4355%0.55SS.*Hα-helixtrans-73.8-42172.2169.80000110.6L687 E688 E689 R694 Q695L687-V691 WeakPolarHBondContact O-CG2 3.43Å; L687-V691 PolarHBondContact O-N 2.9Å; E688-V691 PolarHBondContact O-N 3.33Å; E688-V691 VanDerWaalsContact O-N 3.17Å; E689-V691 VanDerWaalsContact C-N 3.34Å; E689-V691 PolarHBondContact O-N 3.32Å; V691-R694 WeakPolarHBondContact O-CB 3.39Å; V691-R694 PolarHBondContact O-N 3.36Å; V691-Q695 PolarHBondContact O-N 3.04Å
692K68Low61.8Low139 Ų139113.6 Ų113.660%0.60456%0.557SS**Hα-helixtrans-64.1-48.1-179.4-155.2173-168.7172.70111.7E688 E689 R694 Q695 E696E688-K692 WeakPolarHBondContact O-CB 3.32Å; E688-K692 PolarHBondContact O-N 3.01Å; E689-K692 PolarHBondContact O-N 3.15Å; K692-R694 PolarHBondContact O-N 2.96Å; K692-Q695 PolarHBondContact O-N 2.98Å; K692-E696 PolarHBondContact O-N 2.81Å
693H61.6Low61.5Low128 Ų128112.4 Ų112.459%0.59356%0.557SS**Hα-helixtrans-63.3-30.3177-161.3-39.9000112.2E689 T697E689-H693 WeakPolarHBondContact O-CB 3.29Å; E689-H693 PolarHBondContact O-N 3.34Å; H693-T697 PolarHBondContact O-N 3.1Å; H693-T697 VanDerWaalsContact O-N 3.07Å; H693-T697 PolarHBondContact O-OG1 3.29Å
694R63.3Low60.8Low159 Ų159110.8 Ų110.860%0.656%0.557SS**Hα-helixtrans-70.3-45.1173.7-163.3-175.1-50.4-142.33112.1L690 V691 K692 E696 T697 D698L690-R694 WeakPolarHBondContact O-CB 3.36Å; L690-R694 PolarHBondContact O-N 3.44Å; V691-R694 WeakPolarHBondContact O-CB 3.39Å; V691-R694 PolarHBondContact O-N 3.36Å; K692-R694 PolarHBondContact O-N 2.96Å; R694-E696 PolarHBondContact O-N 3.36Å; R694-T697 WeakPolarHBondContact CA-OG1 3.43Å; R694-T697 PolarHBondContact O-N 2.99Å; R694-T697 PolarHBondContact O-OG1 3.46Å; R694-D698 PolarHBondContact O-N 3.46Å
695Q60.2Low60.3Low105 Ų105111.8 Ų111.849%0.49156%0.563SS.*Hα-helixtrans-63.5-28.9174.8-70.4-175.67.400112.9V691 K692 K699V691-Q695 PolarHBondContact O-N 3.04Å; K692-Q695 PolarHBondContact O-N 2.98Å; Q695-K699 WeakPolarHBondContact O-CD 3.48Å; Q695-K699 VanDerWaalsContact O-CG 3.24Å; Q695-K699 WeakPolarHBondContact O-CG 3.47Å; Q695-K699 PolarHBondContact O-N 2.66Å
696E58.7Low59.6Low111 Ų111115.3 Ų115.352%0.51958%0.577SS.*Hα-helixtrans-76-36.9173.4-71.8-177.1165.700112.4K692 R694 K699 T700K692-E696 PolarHBondContact O-N 2.81Å; R694-E696 PolarHBondContact O-N 3.36Å; E696-K699 PolarHBondContact O-N 3.4Å; E696-T700 WeakPolarHBondContact O-CB 3.42Å; E696-T700 PolarHBondContact O-N 3.21Å; E696-T700 PolarHBondContact O-OG1 3.18Å
697T57.4Low58.5Low70 Ų70122.2 Ų122.243%0.42961%0.611SS.*Hα-helixtrans-64.1-40.4170.745.30000112.6H693 R694 T700 C701H693-T697 PolarHBondContact O-N 3.1Å; H693-T697 VanDerWaalsContact O-N 3.07Å; H693-T697 PolarHBondContact O-OG1 3.29Å; R694-T697 WeakPolarHBondContact CA-OG1 3.43Å; R694-T697 PolarHBondContact O-N 2.99Å; R694-T697 PolarHBondContact O-OG1 3.46Å; T697-T700 PolarHBondContact O-N 3.19Å; T697-C701 WeakPolarHBondContact O-CB 3.49Å; T697-C701 PolarHBondContact O-N 2.98Å
698D55.5Low58Low93 Ų93122.7 Ų122.750%0.49761%0.612SS.*Hα-helixtrans-65-41.7177.9-67.4-24000111.6R694 C701 L702R694-D698 PolarHBondContact O-N 3.46Å; D698-C701 PolarHBondContact O-N 3.15Å; D698-L702 WeakPolarHBondContact O-CG 3.26Å; D698-L702 PolarHBondContact O-N 2.82Å; D698-L702 VanDerWaalsContact O-N 3.08Å
699K56.3Low57.5Low125 Ų125121.8 Ų121.854%0.54361%0.61SS.*Hα-helixtrans-62.9-41.3173.5-73.9166.4-172.5166.10112.4Q695 E696 C701 L702 V703Q695-K699 WeakPolarHBondContact O-CD 3.48Å; Q695-K699 VanDerWaalsContact O-CG 3.24Å; Q695-K699 WeakPolarHBondContact O-CG 3.47Å; Q695-K699 PolarHBondContact O-N 2.66Å; E696-K699 PolarHBondContact O-N 3.4Å; K699-C701 VanDerWaalsContact C-N 3.32Å; K699-L702 PolarHBondContact O-N 3.21Å; K699-V703 WeakPolarHBondContact O-CG2 3.24Å; K699-V703 PolarHBondContact O-N 2.88Å
700T53.5Low56.9Low92 Ų92120.8 Ų120.856%0.56461%0.607SS**Hα-helixtrans-66.3-37.3178.2-50.40000111E696 T697 V703 T704E696-T700 WeakPolarHBondContact O-CB 3.42Å; E696-T700 PolarHBondContact O-N 3.21Å; E696-T700 PolarHBondContact O-OG1 3.18Å; T697-T700 PolarHBondContact O-N 3.19Å; T700-V703 PolarHBondContact O-N 3.42Å; T700-T704 PolarHBondContact O-N 3.31Å; T700-T704 PolarHBondContact O-OG1 3.15Å
701C52.5Low56.3Low74 Ų74121.4 Ų121.450%0.561%0.609SS.*Hα-helixtrans-67.1-38.9177.5-167.20000112.6T697 D698 K699 T704T697-C701 WeakPolarHBondContact O-CB 3.49Å; T697-C701 PolarHBondContact O-N 2.98Å; D698-C701 PolarHBondContact O-N 3.15Å; K699-C701 VanDerWaalsContact C-N 3.32Å; C701-T704 PolarHBondContact O-N 3.14Å; C701-T704 PolarHBondContact O-OG1 3.08Å
702L52Low55.4Low122 Ų122124.5 Ų124.564%0.63962%0.62SS**Hα-helixtrans-63.2-43.2174.3-75165000112.4D698 K699 T704 M705D698-L702 WeakPolarHBondContact O-CG 3.26Å; D698-L702 PolarHBondContact O-N 2.82Å; D698-L702 VanDerWaalsContact O-N 3.08Å; K699-L702 PolarHBondContact O-N 3.21Å; L702-T704 VanDerWaalsContact C-N 3.27Å; L702-T704 PolarHBondContact O-N 3.29Å; L702-M705 PolarHBondContact O-N 3.48Å; L702-M705 VanDerWaalsContact O-N 3.07Å
703V51.2Low54.6Low94 Ų94123.5 Ų123.557%0.5762%0.621SS**Hα-helixtrans-65.3-29.7-180173.20000112.4K699 T700 M705K699-V703 WeakPolarHBondContact O-CG2 3.24Å; K699-V703 PolarHBondContact O-N 2.88Å; T700-V703 PolarHBondContact O-N 3.42Å; V703-M705 VanDerWaalsContact C-N 3.27Å; V703-M705 PolarHBondContact O-N 3.42Å
704T51.8Low54.1Low103 Ų103123.2 Ų123.263%0.63262%0.623SS**THydrogen-bonded Turntrans-80.11.9174.449.50000114.9T700 C701 L702T700-T704 PolarHBondContact O-N 3.31Å; T700-T704 PolarHBondContact O-OG1 3.15Å; C701-T704 PolarHBondContact O-N 3.14Å; C701-T704 PolarHBondContact O-OG1 3.08Å; L702-T704 VanDerWaalsContact C-N 3.27Å; L702-T704 PolarHBondContact O-N 3.29Å
705M52Low53.3Low157 Ų157120.5 Ų120.577%0.77363%0.625SS**THydrogen-bonded Turntrans-104.61.2173-67.7-161.770.900113.8L702 V703L702-M705 PolarHBondContact O-N 3.48Å; L702-M705 VanDerWaalsContact O-N 3.07Å; V703-M705 VanDerWaalsContact C-N 3.27Å; V703-M705 PolarHBondContact O-N 3.42Å
706E50Low52.8Low178 Ų178121.8 Ų121.883%0.83264%0.636SS**  trans-118.527.4178.7-61.9-166.9133.500113.4
707Q42.3Very low52.2Low242 Ų242122.7 Ų122.7100%1.13165%0.646SS**  trans-131.90172.3-69.5-166.9-5.200112.3

Retrieved 707 of 707 residues in 546.7 ms (Link to these results)

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