A0A5K4F0S1_SCHMA Loading...

Negative elongation factor A

AlphaFold DB , UniProt , Accession A0A5K4F0S1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 774 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
1M40.5Very low54.2Low244 Ų244149.6 Ų149.6100%1.20284%0.842SS**  0162.10-77.5-175.4172.100108.8
2A42.9Very low55.3Low110 Ų110150.9 Ų150.991%0.90984%0.844SS**  trans61.4144.6-164.400000114
3G42.9Very low55.7Low68 Ų68148.5 Ų148.570%0.70183%0.827SS**  cis165.766.2-4.800000112.3K5G3-K5 PolarHBondContact O-N 3.39Å
4V49.3Very low56.4Low133 Ų133149.4 Ų149.481%0.80682%0.821SS**  trans-70.4119.1-171-172.60000111.7K6V4-K6 HydrophobicContact CG1-CG 4.37Å
5K56.9Low56.4Low183 Ų183151.3 Ų151.380%0.79682%0.819SS**  trans-114.3115.2160.2-78-176.2175.3178.90109.2G3G3-K5 PolarHBondContact O-N 3.39Å
6K58Low56.7Low195 Ų195152.1 Ų152.185%0.84882%0.823SS**  trans-98.6130.3162.6-73.5-171.8176-1750108.2V4 S8V4-K6 HydrophobicContact CG1-CG 4.37Å; K6-S8 PolarHBondContact O-N 3.33Å
7H57.2Low56.8Low175 Ų175152.1 Ų152.181%0.8182%0.816SS**  trans-83.5109.6178.1-57.8-76.6000109.8G9H7-G9 PolarHBondContact O-N 3.46Å
8S50.4Low56.9Low119 Ų119148.9 Ų148.983%0.83280%0.798SS**  trans-86.588.6169.7-166.10000109.1K6 I10K6-S8 PolarHBondContact O-N 3.33Å; S8-I10 PolarHBondContact O-N 3.02Å
9G61.4Low56.9Low70 Ų70146.2 Ų146.272%0.72279%0.789SS**  trans-81.2102.4177.800000111.3H7 K11H7-G9 PolarHBondContact O-N 3.46Å; G9-K11 PolarHBondContact O-N 3.34Å
10I64.6Low57.1Low151 Ų151141.9 Ų141.977%0.77478%0.775SS**PPolyproline II helixtrans-69.5116.7168.2-56.5174.7000107.4S8 L12S8-I10 PolarHBondContact O-N 3.02Å; I10-L12 PolarHBondContact O-N 2.93Å
11K71.7Confident57.1Low198 Ų198144.5 Ų144.586%0.86178%0.779SS**PPolyproline II helixtrans-72.8118.6169.5-69.4-172.9176.8-173.70108.6G9G9-K11 PolarHBondContact O-N 3.34Å
12L67.8Low58.7Low165 Ų165135 Ų13586%0.86474%0.743SS**PPolyproline II helixtrans-69.2129.5161.5-66.5169.2000107.6I10I10-L12 PolarHBondContact O-N 2.93Å
13L61.1Low60.3Low119 Ų119135.3 Ų135.362%0.62374%0.737SS**PPolyproline II helixtrans-74142.9166.2-76155.6000108.4E17L13-E17 WeakPolarHBondContact CD2-OE2 3.38Å
14E64.4Low61.8Low161 Ų161140.5 Ų140.575%0.75274%0.74SS**PPolyproline II helixtrans-68.5140.7172.1-69.3-179.7128.100109.4D16 E17E14-D16 PolarHBondContact O-N 3.38Å; E14-E17 PolarHBondContact O-N 3.13Å; E14-E17 VanDerWaalsContact O-N 3.13Å
15F56.4Low63Low178 Ų178135.3 Ų135.378%0.78171%0.711SS**G310 helixtrans-64.5-16.9-167.9-78.8-91.2000113.9L18F15-L18 HydrophobicContact CD1-CD1 3.9Å; F15-L18 HydrophobicContact CE1-CD1 4.47Å; F15-L18 PolarHBondContact O-N 3.49Å
16D61.5Low64.2Low165 Ų165134.7 Ų134.788%0.88271%0.708SS**G310 helixtrans-77.2-16.1178.5-62-51.2000114E14E14-D16 PolarHBondContact O-N 3.38Å
17E59Low65.3Low152 Ų152131.6 Ų131.671%0.7170%0.697SS**G310 helixtrans-84.6-7.8172.1-72.5-157.8130.500113.5L13 E14L13-E17 WeakPolarHBondContact CD2-OE2 3.38Å; E14-E17 PolarHBondContact O-N 3.13Å; E14-E17 VanDerWaalsContact O-N 3.13Å
18L58.1Low66.5Low95 Ų95128.5 Ų128.550%0.49769%0.685SS.*SBendtrans-72.2134.6178.5-67.4176.6000110.8F15 A20F15-L18 HydrophobicContact CD1-CD1 3.9Å; F15-L18 HydrophobicContact CE1-CD1 4.47Å; F15-L18 PolarHBondContact O-N 3.49Å; L18-A20 PolarHBondContact O-N 3.29Å
19P57.5Low68.1Low96 Ų96132.2 Ų132.262%0.62368%0.681SS**PPolyproline II helixtrans-61.7116.817725.6-33.6000109.3F21P19-F21 HydrophobicContact CG-CE2 4.08Å; P19-F21 WeakPolarHBondContact O-CD2 3.49Å; P19-F21 PolarHBondContact O-N 3.04Å
20A59.7Low69.3Low61 Ų61134.8 Ų134.850%0.50467%0.672SS.*PPolyproline II helixtrans-53.9130.8178.100000110.3L18 A25L18-A20 PolarHBondContact O-N 3.29Å; A20-A25 HydrophobicContact CB-CB 3.95Å; A20-A25 WeakPolarHBondContact O-CB 3.48Å
21F57.2Low70.4Confident196 Ų196132.7 Ų132.786%0.8666%0.66SS**  trans-113.7142.9169.7-80.6-85.9000109.5P19P19-F21 HydrophobicContact CG-CE2 4.08Å; P19-F21 WeakPolarHBondContact O-CD2 3.49Å; P19-F21 PolarHBondContact O-N 3.04Å
22G75.3Confident71.1Confident44 Ų44130 Ų13045%0.45465%0.647SS.*SBendtrans104.2-166.9-178.700000114.8K24 A25 K26G22-K24 PolarHBondContact O-N 2.96Å; G22-A25 VanDerWaalsContact O-CB 3.28Å; G22-A25 WeakPolarHBondContact O-CB 3.47Å; G22-A25 PolarHBondContact O-N 3.17Å; G22-K26 PolarHBondContact O-N 3.1Å
23P76Confident72Confident118 Ų118128 Ų12877%0.76663%0.634SS**Hα-helixtrans-58.1-41.1-169.3-28.436.4000115A25 K26 Q27P23-A25 VanDerWaalsContact C-N 3.25Å; P23-A25 PolarHBondContact O-N 2.88Å; P23-K26 WeakPolarHBondContact O-CB 3.49Å; P23-K26 PolarHBondContact O-N 3.48Å; P23-K26 VanDerWaalsContact O-N 3.11Å; P23-Q27 PolarHBondContact O-N 3.08Å; P23-Q27 VanDerWaalsContact O-N 3.09Å
24K74.2Confident73.4Confident176 Ų176129.7 Ų129.777%0.76563%0.632SS**Hα-helixtrans-57.9-36.2175.7-78.6-170173.2-174.50112.6G22 Q27 L28G22-K24 PolarHBondContact O-N 2.96Å; K24-Q27 PolarHBondContact O-N 3.13Å; K24-L28 WeakPolarHBondContact O-CB 3.28Å; K24-L28 PolarHBondContact O-N 3.46Å
25A75.7Confident74.7Confident24 Ų24128 Ų12820%0.19862%0.624CS.*Hα-helixtrans-66.9-38177.600000112.5A20 G22 P23 Q27 L28 R29A20-A25 HydrophobicContact CB-CB 3.95Å; A20-A25 WeakPolarHBondContact O-CB 3.48Å; G22-A25 VanDerWaalsContact O-CB 3.28Å; G22-A25 WeakPolarHBondContact O-CB 3.47Å; G22-A25 PolarHBondContact O-N 3.17Å; P23-A25 VanDerWaalsContact C-N 3.25Å; P23-A25 PolarHBondContact O-N 2.88Å; A25-Q27 VanDerWaalsContact C-N 3.33Å; A25-L28 PolarHBondContact O-N 2.84Å; A25-R29 WeakPolarHBondContact O-CB 3.25Å; A25-R29 PolarHBondContact O-N 2.95Å
26K80.4Confident76.3Confident171 Ų171123.4 Ų123.474%0.74361%0.611SS**Hα-helixtrans-66.5-36.8175.1-169177.1-178.2179.90111.3G22 P23 K30G22-K26 PolarHBondContact O-N 3.1Å; P23-K26 WeakPolarHBondContact O-CB 3.49Å; P23-K26 PolarHBondContact O-N 3.48Å; P23-K26 VanDerWaalsContact O-N 3.11Å; K26-K30 WeakPolarHBondContact O-CB 3.28Å; K26-K30 PolarHBondContact O-N 3.4Å; K26-K30 VanDerWaalsContact O-N 3.16Å
27Q82.3Confident77.8Confident130 Ų130123.2 Ų123.261%0.60760%0.602SS**Hα-helixtrans-65.2-54172.3-179.1171.6-10.100111.4P23 K24 A25 R29 K30 E31P23-Q27 PolarHBondContact O-N 3.08Å; P23-Q27 VanDerWaalsContact O-N 3.09Å; K24-Q27 PolarHBondContact O-N 3.13Å; A25-Q27 VanDerWaalsContact C-N 3.33Å; Q27-R29 VanDerWaalsContact C-N 3.29Å; Q27-R29 PolarHBondContact O-N 2.97Å; Q27-K30 CarbonylContact O-C 3.57Å; Q27-K30 PolarHBondContact O-N 2.79Å; Q27-E31 WeakPolarHBondContact O-CB 3.49Å; Q27-E31 PolarHBondContact O-N 3.29Å
28L82.1Confident79.3Confident109 Ų109122.6 Ų122.657%0.57160%0.601SS**Hα-helixtrans-58.1-38.7-180-175.165000112.4K24 A25 E31 K32K24-L28 WeakPolarHBondContact O-CB 3.28Å; K24-L28 PolarHBondContact O-N 3.46Å; A25-L28 PolarHBondContact O-N 2.84Å; L28-E31 PolarHBondContact O-N 2.98Å; L28-K32 WeakPolarHBondContact O-CB 3.42Å; L28-K32 PolarHBondContact O-N 3.34Å
29R82.8Confident81Confident198 Ų198124.8 Ų124.875%0.74761%0.607SS**Hα-helixtrans-63.7-45.4173.3-177.3173.6174.5167.4-0.4112.1A25 Q27 E31 E33A25-R29 WeakPolarHBondContact O-CB 3.25Å; A25-R29 PolarHBondContact O-N 2.95Å; Q27-R29 VanDerWaalsContact C-N 3.29Å; Q27-R29 PolarHBondContact O-N 2.97Å; R29-E31 VanDerWaalsContact C-N 3.28Å; R29-E31 PolarHBondContact O-N 3.3Å; R29-E33 WeakPolarHBondContact O-CB 3.43Å; R29-E33 PolarHBondContact O-N 2.93Å
30K88.5Confident82.7Confident123 Ų123125.5 Ų125.554%0.53560%0.604SS.*Hα-helixtrans-68.4-27.6178-169.9177.4-177.6177.80112.4K26 Q27 R34K26-K30 WeakPolarHBondContact O-CB 3.28Å; K26-K30 PolarHBondContact O-N 3.4Å; K26-K30 VanDerWaalsContact O-N 3.16Å; Q27-K30 CarbonylContact O-C 3.57Å; Q27-K30 PolarHBondContact O-N 2.79Å; K30-R34 WeakPolarHBondContact O-CG 3.33Å; K30-R34 PolarHBondContact O-N 2.97Å
31E86.6Confident84.4Confident108 Ų108130.1 Ų130.151%0.50561%0.613SS.*Hα-helixtrans-73.2-51.8174.5-174.5157.4-145.400111.3Q27 L28 R29 E33 R34 E35Q27-E31 WeakPolarHBondContact O-CB 3.49Å; Q27-E31 PolarHBondContact O-N 3.29Å; L28-E31 PolarHBondContact O-N 2.98Å; R29-E31 VanDerWaalsContact C-N 3.28Å; R29-E31 PolarHBondContact O-N 3.3Å; E31-E33 PolarHBondContact O-N 3.15Å; E31-R34 WeakPolarHBondContact O-CA 3.38Å; E31-R34 WeakPolarHBondContact O-CB 3.36Å; E31-R34 PolarHBondContact O-N 3.26Å; E31-E35 PolarHBondContact O-N 3.49Å
32K85.7Confident86.2Confident140 Ų140126.8 Ų126.861%0.60960%0.6SS**Hα-helixtrans-58.3-32.5173.8-169167.7-173.7167.30113.1L28 T36L28-K32 WeakPolarHBondContact O-CB 3.42Å; L28-K32 PolarHBondContact O-N 3.34Å; K32-T36 WeakPolarHBondContact O-CG2 3.4Å; K32-T36 PolarHBondContact O-N 3.04Å; K32-T36 PolarHBondContact O-OG1 2.86Å
33E88.2Confident87Confident124 Ų124128.6 Ų128.658%0.57960%0.597SS**Hα-helixtrans-70.1-37173-172.2-179.4164.500113R29 E31 T36 K37R29-E33 WeakPolarHBondContact O-CB 3.43Å; R29-E33 PolarHBondContact O-N 2.93Å; E31-E33 PolarHBondContact O-N 3.15Å; E33-T36 PolarHBondContact O-OG1 3.34Å; E33-K37 VanDerWaalsContact O-CB 3.29Å; E33-K37 WeakPolarHBondContact O-CB 3.45Å; E33-K37 PolarHBondContact O-N 3.25Å; E33-K37 VanDerWaalsContact O-N 3.09Å
34R90.8Very high87.9Confident154 Ų154130.6 Ų130.658%0.58159%0.593SS**Hα-helixtrans-68.3-41.4171.5-73.1-173.3-168107.7-23.3111.6K30 E31 K37 M38K30-R34 WeakPolarHBondContact O-CG 3.33Å; K30-R34 PolarHBondContact O-N 2.97Å; E31-R34 WeakPolarHBondContact O-CA 3.38Å; E31-R34 WeakPolarHBondContact O-CB 3.36Å; E31-R34 PolarHBondContact O-N 3.26Å; R34-K37 PolarHBondContact O-N 3.45Å; R34-M38 WeakPolarHBondContact O-CB 3.43Å; R34-M38 PolarHBondContact O-N 3.4Å
35E90.2Very high88.8Confident125 Ų125127.1 Ų127.158%0.58458%0.58SS**Hα-helixtrans-59.5-50.4177.9-169.7-162.416900111E31 K37 M38 K39E31-E35 PolarHBondContact O-N 3.49Å; E35-K37 PolarHBondContact O-N 2.86Å; E35-M38 PolarHBondContact O-N 3.34Å; E35-K39 WeakPolarHBondContact O-CB 3.35Å; E35-K39 PolarHBondContact O-N 2.99Å
36T90.2Very high89.7Confident82 Ų82131.4 Ų131.450%0.50360%0.596SS.*Hα-helixtrans-65.1-37.7177.555.80000112.4K32 E33 K39 L40K32-T36 WeakPolarHBondContact O-CG2 3.4Å; K32-T36 PolarHBondContact O-N 3.04Å; K32-T36 PolarHBondContact O-OG1 2.86Å; E33-T36 PolarHBondContact O-OG1 3.34Å; T36-K39 PolarHBondContact O-N 3.42Å; T36-L40 VanDerWaalsContact O-CB 3.28Å; T36-L40 WeakPolarHBondContact O-CB 3.39Å; T36-L40 PolarHBondContact O-N 3.44Å
37K92.7Very high90.3Very high162 Ų162129.5 Ų129.570%0.70458%0.584SS**Hα-helixtrans-65.9-39174.7-170.9174.7-177.7178.90112.5E33 R34 E35 K41E33-K37 VanDerWaalsContact O-CB 3.29Å; E33-K37 WeakPolarHBondContact O-CB 3.45Å; E33-K37 PolarHBondContact O-N 3.25Å; E33-K37 VanDerWaalsContact O-N 3.09Å; R34-K37 PolarHBondContact O-N 3.45Å; E35-K37 PolarHBondContact O-N 2.86Å; K37-K41 PolarHBondContact O-N 3.43Å
38M92.3Very high90.9Very high139 Ų139126.1 Ų126.169%0.68558%0.579SS**Hα-helixtrans-66.2-47.7175.6-174.4-177.9-68.600110.9R34 E35 L40 K41 Q42R34-M38 WeakPolarHBondContact O-CB 3.43Å; R34-M38 PolarHBondContact O-N 3.4Å; E35-M38 PolarHBondContact O-N 3.34Å; M38-L40 VanDerWaalsContact C-N 3.32Å; M38-L40 PolarHBondContact O-N 3.18Å; M38-K41 WeakPolarHBondContact O-CB 3.44Å; M38-K41 PolarHBondContact O-N 2.86Å; M38-K41 VanDerWaalsContact O-N 3.13Å; M38-Q42 PolarHBondContact O-N 2.88Å
39K93.5Very high91.5Very high141 Ų141128.1 Ų128.161%0.61358%0.578SS**Hα-helixtrans-60.4-39.9176.6-171.7168.4-175.6167.60112.4E35 T36 Q42 E43E35-K39 WeakPolarHBondContact O-CB 3.35Å; E35-K39 PolarHBondContact O-N 2.99Å; T36-K39 PolarHBondContact O-N 3.42Å; K39-Q42 PolarHBondContact O-N 3.41Å; K39-E43 WeakPolarHBondContact O-CB 3.33Å; K39-E43 PolarHBondContact O-N 3.07Å
40L93.4Very high92Very high110 Ų110124.2 Ų124.258%0.57657%0.569SS**Hα-helixtrans-67.8-35.1174.9-176.262.8000112.7T36 M38 K44T36-L40 VanDerWaalsContact O-CB 3.28Å; T36-L40 WeakPolarHBondContact O-CB 3.39Å; T36-L40 PolarHBondContact O-N 3.44Å; M38-L40 VanDerWaalsContact C-N 3.32Å; M38-L40 PolarHBondContact O-N 3.18Å; L40-K44 WeakPolarHBondContact O-CB 3.27Å; L40-K44 PolarHBondContact O-N 3.16Å
41K94.3Very high92.2Very high158 Ų158122.1 Ų122.169%0.68756%0.563SS**Hα-helixtrans-63.2-47.2171.2-173.9-176.7176.3-175.40110.4K37 M38 K44 E45K37-K41 PolarHBondContact O-N 3.43Å; M38-K41 WeakPolarHBondContact O-CB 3.44Å; M38-K41 PolarHBondContact O-N 2.86Å; M38-K41 VanDerWaalsContact O-N 3.13Å; K41-K44 PolarHBondContact O-N 3.21Å; K41-E45 PolarHBondContact O-N 2.81Å
42Q94.4Very high92.6Very high127 Ų127124.7 Ų124.759%0.59357%0.573SS**Hα-helixtrans-61-47.4179-172.7177.3400112M38 K39 K44 E45 E46M38-Q42 PolarHBondContact O-N 2.88Å; K39-Q42 PolarHBondContact O-N 3.41Å; Q42-K44 VanDerWaalsContact C-N 3.32Å; Q42-K44 PolarHBondContact O-N 2.87Å; Q42-E45 PolarHBondContact O-N 2.98Å; Q42-E46 WeakPolarHBondContact O-CB 3.45Å; Q42-E46 PolarHBondContact O-N 3.06Å
43E93.2Very high93.1Very high81 Ų81120.6 Ų120.638%0.37957%0.565SS.*Hα-helixtrans-62-37.7176.7-167.6-160.7124.100112.1K39 R47K39-E43 WeakPolarHBondContact O-CB 3.33Å; K39-E43 PolarHBondContact O-N 3.07Å; E43-R47 WeakPolarHBondContact O-CB 3.49Å; E43-R47 PolarHBondContact O-N 3.1Å; E43-R47 IonicContact OE1-CZ 3.52Å; E43-R47 IonicContact OE1-NH1 3.18Å; E43-R47 PolarHBondContact OE1-NH1 3.48Å; E43-R47 IonicContact OE1-NH2 2.62Å; E43-R47 PolarHBondContact OE1-NH2 3.21Å
44K94.5Very high93.4Very high160 Ų160117.1 Ų117.170%0.69656%0.558SS**Hα-helixtrans-66.2-40.5175.7-172.5-175.3177.3-170.20111.7L40 K41 Q42 A48L40-K44 WeakPolarHBondContact O-CB 3.27Å; L40-K44 PolarHBondContact O-N 3.16Å; K41-K44 PolarHBondContact O-N 3.21Å; Q42-K44 VanDerWaalsContact C-N 3.32Å; Q42-K44 PolarHBondContact O-N 2.87Å; K44-A48 WeakPolarHBondContact O-CB 3.49Å; K44-A48 PolarHBondContact O-N 3.28Å
45E93.2Very high93.7Very high103 Ų103118.1 Ų118.148%0.48156%0.561SS.*Hα-helixtrans-69.2-44.4177.6-164.1-162.2126.600111.7K41 Q42 R47 A48 R49K41-E45 PolarHBondContact O-N 2.81Å; Q42-E45 PolarHBondContact O-N 2.98Å; E45-R47 PolarHBondContact O-N 3.22Å; E45-A48 WeakPolarHBondContact O-CB 3.32Å; E45-A48 PolarHBondContact O-N 3.21Å; E45-A48 VanDerWaalsContact O-N 3.13Å; E45-R49 WeakPolarHBondContact O-CB 3.41Å; E45-R49 PolarHBondContact O-N 3.32Å; E45-R49 IonicContact OE1-CZ 3.41Å; E45-R49 IonicContact OE1-NH2 3.79Å; E45-R49 PolarHBondContact OE1-NH2 3.41Å
46E93.6Very high93.9Very high114 Ų114117.9 Ų117.953%0.53356%0.56SS.*Hα-helixtrans-59.4-47.3175.6-176170.4-155.700111.4Q42 A48 R49 E50Q42-E46 WeakPolarHBondContact O-CB 3.45Å; Q42-E46 PolarHBondContact O-N 3.06Å; E46-A48 VanDerWaalsContact C-N 3.29Å; E46-A48 PolarHBondContact O-N 3.32Å; E46-R49 WeakPolarHBondContact O-CB 3.29Å; E46-R49 PolarHBondContact O-N 3.42Å; E46-R49 VanDerWaalsContact O-N 3.13Å; E46-E50 WeakPolarHBondContact O-CB 3.41Å; E46-E50 PolarHBondContact O-N 2.77Å
47R93.7Very high94.1Very high131 Ų131116.7 Ų116.749%0.49456%0.559SS.*Hα-helixtrans-61.4-33.4174-177.8175.4-69.7120.62.6113E43 E45 N51E43-R47 WeakPolarHBondContact O-CB 3.49Å; E43-R47 PolarHBondContact O-N 3.1Å; E43-R47 IonicContact OE1-CZ 3.52Å; E43-R47 IonicContact OE1-NH1 3.18Å; E43-R47 PolarHBondContact OE1-NH1 3.48Å; E43-R47 IonicContact OE1-NH2 2.62Å; E43-R47 PolarHBondContact OE1-NH2 3.21Å; E45-R47 PolarHBondContact O-N 3.22Å; R47-N51 WeakPolarHBondContact O-CB 3.31Å; R47-N51 PolarHBondContact O-N 2.89Å
48A94.5Very high94.1Very high60 Ų60112.1 Ų112.150%0.49655%0.547SS..Hα-helixtrans-70.3-40.3174.200000111.6K44 E45 E46 N51 K52K44-A48 WeakPolarHBondContact O-CB 3.49Å; K44-A48 PolarHBondContact O-N 3.28Å; E45-A48 WeakPolarHBondContact O-CB 3.32Å; E45-A48 PolarHBondContact O-N 3.21Å; E45-A48 VanDerWaalsContact O-N 3.13Å; E46-A48 VanDerWaalsContact C-N 3.29Å; E46-A48 PolarHBondContact O-N 3.32Å; A48-N51 PolarHBondContact O-N 3.46Å; A48-K52 PolarHBondContact O-N 3.15Å
49R95Very high94.3Very high150 Ų150113.4 Ų113.457%0.56654%0.544SS*.Hα-helixtrans-64.8-45.2176.3-156.9-174.4-59146.4-2.2111.6E45 E46 K52 A53E45-R49 WeakPolarHBondContact O-CB 3.41Å; E45-R49 PolarHBondContact O-N 3.32Å; E45-R49 IonicContact OE1-CZ 3.41Å; E45-R49 IonicContact OE1-NH2 3.79Å; E45-R49 PolarHBondContact OE1-NH2 3.41Å; E46-R49 WeakPolarHBondContact O-CB 3.29Å; E46-R49 PolarHBondContact O-N 3.42Å; E46-R49 VanDerWaalsContact O-N 3.13Å; R49-K52 PolarHBondContact O-N 3.17Å; R49-A53 PolarHBondContact O-N 3.02Å
50E93.7Very high94.4Very high116 Ų116111 Ų11154%0.54254%0.538SS..Hα-helixtrans-58.6-46.6172.9-174.7-171.6-161.100111.3E46 K52 A53 A54E46-E50 WeakPolarHBondContact O-CB 3.41Å; E46-E50 PolarHBondContact O-N 2.77Å; E50-K52 VanDerWaalsContact C-N 3.33Å; E50-K52 PolarHBondContact O-N 2.79Å; E50-A53 PolarHBondContact O-N 2.92Å; E50-A54 WeakPolarHBondContact O-CB 3.39Å; E50-A54 PolarHBondContact O-N 3.33Å
51N92.9Very high94.5Very high79 Ų79108.3 Ų108.342%0.42253%0.531SS..Hα-helixtrans-63.5-37.1178.2-158.2-55.5000112R47 A48 R55R47-N51 WeakPolarHBondContact O-CB 3.31Å; R47-N51 PolarHBondContact O-N 2.89Å; A48-N51 PolarHBondContact O-N 3.46Å; N51-R55 VanDerWaalsContact O-CG 3.25Å; N51-R55 WeakPolarHBondContact O-CG 3.32Å; N51-R55 PolarHBondContact O-N 2.89Å; N51-R55 VanDerWaalsContact O-N 3.16Å; N51-R55 PolarHBondContact OD1-NE 2.83Å; N51-R55 PolarHBondContact OD1-NH2 3Å
52K95.5Very high94.5Very high163 Ų163109.5 Ų109.571%0.70953%0.532SS*.Hα-helixtrans-64-48.2173.2-170.3175.4-179.6177.60111.2A48 R49 E50 R55 E56A48-K52 PolarHBondContact O-N 3.15Å; R49-K52 PolarHBondContact O-N 3.17Å; E50-K52 VanDerWaalsContact C-N 3.33Å; E50-K52 PolarHBondContact O-N 2.79Å; K52-R55 PolarHBondContact O-N 3.31Å; K52-E56 PolarHBondContact O-N 2.76Å; K52-E56 VanDerWaalsContact O-N 3.1Å
53A95.7Very high94.6Very high53 Ų53108.3 Ų108.344%0.43853%0.526SS..Hα-helixtrans-63.1-41.8177.700000112.7R49 E50 R55 E56 A57R49-A53 PolarHBondContact O-N 3.02Å; E50-A53 PolarHBondContact O-N 2.92Å; A53-R55 VanDerWaalsContact C-N 3.32Å; A53-R55 PolarHBondContact O-N 2.97Å; A53-E56 PolarHBondContact O-N 3.25Å; A53-A57 WeakPolarHBondContact O-CB 3.26Å; A53-A57 PolarHBondContact O-N 3.39Å
54A94.8Very high94.6Very high52 Ų52107.8 Ų107.843%0.4353%0.531SS..Hα-helixtrans-63.8-35177.500000112.7E50 S58E50-A54 WeakPolarHBondContact O-CB 3.39Å; E50-A54 PolarHBondContact O-N 3.33Å; A54-S58 VanDerWaalsContact O-CB 3.27Å; A54-S58 WeakPolarHBondContact O-CB 3.49Å; A54-S58 PolarHBondContact O-N 2.89Å; A54-S58 PolarHBondContact O-OG 3.37Å
55R96.2Very high94.6Very high175 Ų175106.7 Ų106.766%0.6653%0.529SS*.Hα-helixtrans-68-41.4172.5-70.8170.7-165-153.12.9112N51 K52 A53 S58 R59N51-R55 VanDerWaalsContact O-CG 3.25Å; N51-R55 WeakPolarHBondContact O-CG 3.32Å; N51-R55 PolarHBondContact O-N 2.89Å; N51-R55 VanDerWaalsContact O-N 3.16Å; N51-R55 PolarHBondContact OD1-NE 2.83Å; N51-R55 PolarHBondContact OD1-NH2 3Å; K52-R55 PolarHBondContact O-N 3.31Å; A53-R55 VanDerWaalsContact C-N 3.32Å; A53-R55 PolarHBondContact O-N 2.97Å; R55-S58 PolarHBondContact O-N 3.03Å; R55-R59 PolarHBondContact O-N 3.44Å
56E94.6Very high94.7Very high120 Ų120111 Ų11156%0.56154%0.54SS*.Hα-helixtrans-64.6-50.6176.3-170.9-173.3171.800111.3K52 A53 S58 R59 L60K52-E56 PolarHBondContact O-N 2.76Å; K52-E56 VanDerWaalsContact O-N 3.1Å; A53-E56 PolarHBondContact O-N 3.25Å; E56-S58 VanDerWaalsContact C-N 3.26Å; E56-S58 PolarHBondContact O-N 3.29Å; E56-R59 WeakPolarHBondContact O-CA 3.34Å; E56-R59 VanDerWaalsContact O-CB 3.31Å; E56-R59 WeakPolarHBondContact O-CB 3.47Å; E56-R59 PolarHBondContact O-N 2.99Å; E56-L60 HydrophobicContact CG-CD1 4.28Å; E56-L60 PolarHBondContact O-N 3.47Å
57A94Very high94.6Very high57 Ų57110.9 Ų110.947%0.47154%0.54SS..Hα-helixtrans-56.7-40.1175.400000111.7A53 R59 L60 A61A53-A57 WeakPolarHBondContact O-CB 3.26Å; A53-A57 PolarHBondContact O-N 3.39Å; A57-R59 VanDerWaalsContact C-N 3.3Å; A57-R59 PolarHBondContact O-N 2.86Å; A57-L60 PolarHBondContact O-N 3.32Å; A57-A61 VanDerWaalsContact O-CB 3.29Å; A57-A61 WeakPolarHBondContact O-CB 3.32Å; A57-A61 PolarHBondContact O-N 3.41Å
58S93.8Very high94.6Very high66 Ų66107.2 Ų107.246%0.46254%0.538SS..Hα-helixtrans-64.7-30.1173.2-62.20000113.4A54 R55 E56 R62A54-S58 VanDerWaalsContact O-CB 3.27Å; A54-S58 WeakPolarHBondContact O-CB 3.49Å; A54-S58 PolarHBondContact O-N 2.89Å; A54-S58 PolarHBondContact O-OG 3.37Å; R55-S58 PolarHBondContact O-N 3.03Å; E56-S58 VanDerWaalsContact C-N 3.26Å; E56-S58 PolarHBondContact O-N 3.29Å; S58-R62 WeakPolarHBondContact O-CD 3.5Å; S58-R62 VanDerWaalsContact O-CG 3.32Å; S58-R62 WeakPolarHBondContact O-CG 3.36Å; S58-R62 PolarHBondContact O-N 3.22Å
59R96.3Very high94.5Very high165 Ų165110.4 Ų110.462%0.62355%0.546SS*.Hα-helixtrans-73.7-46.3174.2-161.4-176.687.7161.71.3110.8R55 E56 A57 R62 Q63R55-R59 PolarHBondContact O-N 3.44Å; E56-R59 WeakPolarHBondContact O-CA 3.34Å; E56-R59 VanDerWaalsContact O-CB 3.31Å; E56-R59 WeakPolarHBondContact O-CB 3.47Å; E56-R59 PolarHBondContact O-N 2.99Å; A57-R59 VanDerWaalsContact C-N 3.3Å; A57-R59 PolarHBondContact O-N 2.86Å; R59-R62 PolarHBondContact O-N 2.85Å; R59-Q63 WeakPolarHBondContact O-CG 3.34Å; R59-Q63 PolarHBondContact O-N 3.11Å
60L95.1Very high94.2Very high90 Ų90108.3 Ų108.347%0.47155%0.545SS..Hα-helixtrans-62.1-46.1178.1-67173.1000111.5E56 A57 R62 Q63 S64E56-L60 HydrophobicContact CG-CD1 4.28Å; E56-L60 PolarHBondContact O-N 3.47Å; A57-L60 PolarHBondContact O-N 3.32Å; L60-R62 VanDerWaalsContact C-N 3.32Å; L60-R62 PolarHBondContact O-N 3.33Å; L60-Q63 CarbonylContact O-C 3.58Å; L60-Q63 WeakPolarHBondContact O-CA 3.41Å; L60-Q63 WeakPolarHBondContact O-CB 3.37Å; L60-Q63 PolarHBondContact O-N 3.14Å; L60-S64 PolarHBondContact O-N 3.38Å; L60-S64 PolarHBondContact O-OG 3.23Å
61A94.8Very high94Very high54 Ų54107.5 Ų107.545%0.44654%0.541SS..Hα-helixtrans-56.6-43.1177.500000112.6A57 Q63 S64 E65A57-A61 VanDerWaalsContact O-CB 3.29Å; A57-A61 WeakPolarHBondContact O-CB 3.32Å; A57-A61 PolarHBondContact O-N 3.41Å; A61-Q63 VanDerWaalsContact C-N 3.34Å; A61-S64 WeakPolarHBondContact CA-OG 3.47Å; A61-S64 PolarHBondContact O-N 2.89Å; A61-S64 PolarHBondContact O-OG 3.29Å; A61-E65 WeakPolarHBondContact O-CB 3.23Å; A61-E65 PolarHBondContact O-N 3.41Å
62R95.3Very high93.8Very high184 Ų184106 Ų10669%0.69454%0.54SS*.Hα-helixtrans-68.5-29.8174.9-71.2174.6-179.6-173.11.3113.1S58 R59 L60 R66S58-R62 WeakPolarHBondContact O-CD 3.5Å; S58-R62 VanDerWaalsContact O-CG 3.32Å; S58-R62 WeakPolarHBondContact O-CG 3.36Å; S58-R62 PolarHBondContact O-N 3.22Å; R59-R62 PolarHBondContact O-N 2.85Å; L60-R62 VanDerWaalsContact C-N 3.32Å; L60-R62 PolarHBondContact O-N 3.33Å; R62-R66 WeakPolarHBondContact O-CB 3.47Å; R62-R66 PolarHBondContact O-N 3.08Å; R62-R66 VanDerWaalsContact O-N 3.16Å
63Q95.8Very high93.4Very high101 Ų101106.7 Ų106.747%0.47254%0.538SS..Hα-helixtrans-71.8-44173.4-72.3178-63.500111R59 L60 A61 R66 Q67R59-Q63 WeakPolarHBondContact O-CG 3.34Å; R59-Q63 PolarHBondContact O-N 3.11Å; L60-Q63 CarbonylContact O-C 3.58Å; L60-Q63 WeakPolarHBondContact O-CA 3.41Å; L60-Q63 WeakPolarHBondContact O-CB 3.37Å; L60-Q63 PolarHBondContact O-N 3.14Å; A61-Q63 VanDerWaalsContact C-N 3.34Å; Q63-R66 PolarHBondContact O-N 3.43Å; Q63-Q67 PolarHBondContact O-N 3.24Å
64S94.9Very high92.9Very high70 Ų70113.3 Ų113.349%0.4955%0.552SS.*Hα-helixtrans-66.6-38174.950.90000113.1L60 A61 R66 Q67 A68L60-S64 PolarHBondContact O-N 3.38Å; L60-S64 PolarHBondContact O-OG 3.23Å; A61-S64 WeakPolarHBondContact CA-OG 3.47Å; A61-S64 PolarHBondContact O-N 2.89Å; A61-S64 PolarHBondContact O-OG 3.29Å; S64-R66 VanDerWaalsContact C-N 3.35Å; S64-R66 PolarHBondContact O-N 2.87Å; S64-Q67 PolarHBondContact O-N 3.14Å; S64-A68 WeakPolarHBondContact O-CB 3.45Å; S64-A68 PolarHBondContact O-N 2.92Å
65E93.7Very high92.1Very high138 Ų138117.3 Ų117.365%0.64556%0.561SS**Hα-helixtrans-60.6-44.7173.3-178.5-178.2-16000111.1A61 Q67 A68 L69A61-E65 WeakPolarHBondContact O-CB 3.23Å; A61-E65 PolarHBondContact O-N 3.41Å; E65-Q67 VanDerWaalsContact C-N 3.34Å; E65-Q67 PolarHBondContact O-N 3.28Å; E65-A68 PolarHBondContact O-N 2.95Å; E65-L69 WeakPolarHBondContact O-CB 3.37Å; E65-L69 PolarHBondContact O-N 3.3Å
66R94.7Very high91Very high192 Ų192114.8 Ų114.873%0.72556%0.561SS**Hα-helixtrans-64.5-35.8175.8-173.7176.8-180-176.1-0.6112.6R62 Q63 S64 L70R62-R66 WeakPolarHBondContact O-CB 3.47Å; R62-R66 PolarHBondContact O-N 3.08Å; R62-R66 VanDerWaalsContact O-N 3.16Å; Q63-R66 PolarHBondContact O-N 3.43Å; S64-R66 VanDerWaalsContact C-N 3.35Å; S64-R66 PolarHBondContact O-N 2.87Å; R66-L70 WeakPolarHBondContact O-CG 3.27Å; R66-L70 PolarHBondContact O-N 3.21Å
67Q92.8Very high89.3Confident113 Ų113115.6 Ų115.653%0.52857%0.567SS.*Hα-helixtrans-67.7-49.9174.1178.8175.6-1700111.3Q63 S64 E65 L69 L70 E71Q63-Q67 PolarHBondContact O-N 3.24Å; S64-Q67 PolarHBondContact O-N 3.14Å; E65-Q67 VanDerWaalsContact C-N 3.34Å; E65-Q67 PolarHBondContact O-N 3.28Å; Q67-L69 PolarHBondContact O-N 3.09Å; Q67-L70 WeakPolarHBondContact O-CA 3.46Å; Q67-L70 WeakPolarHBondContact O-CB 3.29Å; Q67-L70 PolarHBondContact O-N 2.89Å; Q67-E71 VanDerWaalsContact CG-OE1 3.28Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.4Å; Q67-E71 PolarHBondContact NE2-OE1 2.73Å; Q67-E71 PolarHBondContact O-N 3.29Å
68A92.3Very high87.6Confident54 Ų54117.4 Ų117.445%0.44658%0.576SS.*Hα-helixtrans-57.9-37.2178.300000112.2S64 E65 E71 A72S64-A68 WeakPolarHBondContact O-CB 3.45Å; S64-A68 PolarHBondContact O-N 2.92Å; E65-A68 PolarHBondContact O-N 2.95Å; A68-E71 PolarHBondContact O-N 3.03Å; A68-A72 VanDerWaalsContact O-CB 3.28Å; A68-A72 WeakPolarHBondContact O-CB 3.37Å; A68-A72 PolarHBondContact O-N 3.03Å
69L92.2Very high85.7Confident126 Ų126121.3 Ų121.366%0.6659%0.59SS**Hα-helixtrans-65.2-36.6174.3-174.764.1000113E65 Q67 R73E65-L69 WeakPolarHBondContact O-CB 3.37Å; E65-L69 PolarHBondContact O-N 3.3Å; Q67-L69 PolarHBondContact O-N 3.09Å; L69-R73 WeakPolarHBondContact O-CB 3.47Å; L69-R73 PolarHBondContact O-N 2.92Å
70L90.1Very high83.3Confident106 Ų106117.7 Ų117.756%0.55559%0.59SS**Hα-helixtrans-70-41174.8-71.2169.2000111.5R66 Q67 R73 R74R66-L70 WeakPolarHBondContact O-CG 3.27Å; R66-L70 PolarHBondContact O-N 3.21Å; Q67-L70 WeakPolarHBondContact O-CA 3.46Å; Q67-L70 WeakPolarHBondContact O-CB 3.29Å; Q67-L70 PolarHBondContact O-N 2.89Å; L70-R73 PolarHBondContact O-N 3.42Å; L70-R74 WeakPolarHBondContact O-CG 3.31Å; L70-R74 PolarHBondContact O-N 2.97Å
71E89Confident80.8Confident99 Ų99119.2 Ų119.246%0.46361%0.608SS.*Hα-helixtrans-65.8-45.3176.5-70.7173-166.500111.6Q67 A68 R73 R74 Q75Q67-E71 VanDerWaalsContact CG-OE1 3.28Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.4Å; Q67-E71 PolarHBondContact NE2-OE1 2.73Å; Q67-E71 PolarHBondContact O-N 3.29Å; A68-E71 PolarHBondContact O-N 3.03Å; E71-R73 VanDerWaalsContact C-N 3.27Å; E71-R73 PolarHBondContact O-N 3.08Å; E71-R74 WeakPolarHBondContact O-CB 3.31Å; E71-R74 PolarHBondContact O-N 3.04Å; E71-R74 VanDerWaalsContact O-N 3.08Å; E71-Q75 WeakPolarHBondContact O-CG 3.5Å; E71-Q75 PolarHBondContact O-N 3.4Å
72A87.6Confident78.5Confident47 Ų47121.6 Ų121.639%0.38862%0.619SS.*Hα-helixtrans-59.9-36.3172.800000112.3A68 Q75 N76A68-A72 VanDerWaalsContact O-CB 3.28Å; A68-A72 WeakPolarHBondContact O-CB 3.37Å; A68-A72 PolarHBondContact O-N 3.03Å; A72-Q75 PolarHBondContact O-N 2.97Å; A72-N76 PolarHBondContact O-N 3.16Å; A72-N76 PolarHBondContact O-ND2 2.71Å
73R88.2Confident75.6Confident178 Ų178125.9 Ų125.967%0.67264%0.636SS**Hα-helixtrans-67.6-38173.4-171.8174.7-178.2175.61112.2L69 L70 E71 N76 M77L69-R73 WeakPolarHBondContact O-CB 3.47Å; L69-R73 PolarHBondContact O-N 2.92Å; L70-R73 PolarHBondContact O-N 3.42Å; E71-R73 VanDerWaalsContact C-N 3.27Å; E71-R73 PolarHBondContact O-N 3.08Å; R73-N76 PolarHBondContact O-N 3.18Å; R73-M77 VanDerWaalsContact O-CG 3.25Å; R73-M77 WeakPolarHBondContact O-CG 3.45Å; R73-M77 PolarHBondContact O-N 2.84Å; R73-M77 VanDerWaalsContact O-N 3.13Å
74R85.4Confident73.2Confident192 Ų192125.7 Ų125.773%0.72565%0.645SS**Hα-helixtrans-61.9-44.6174.3-72.2-176.670.4-130.9-1.4111.5L70 E71 N76 M77 S78L70-R74 WeakPolarHBondContact O-CG 3.31Å; L70-R74 PolarHBondContact O-N 2.97Å; E71-R74 WeakPolarHBondContact O-CB 3.31Å; E71-R74 PolarHBondContact O-N 3.04Å; E71-R74 VanDerWaalsContact O-N 3.08Å; R74-N76 PolarHBondContact O-N 3.27Å; R74-M77 PolarHBondContact O-N 3.19Å; R74-S78 PolarHBondContact O-OG 3.45Å
75Q78.2Confident70.5Confident136 Ų136129.8 Ų129.864%0.63666%0.662SS**Hα-helixtrans-59.6-46.2177.2-64.2-66.9-5.600112.2E71 A72 M77 S78E71-Q75 WeakPolarHBondContact O-CG 3.5Å; E71-Q75 PolarHBondContact O-N 3.4Å; A72-Q75 PolarHBondContact O-N 2.97Å; Q75-M77 VanDerWaalsContact C-N 3.31Å; Q75-M77 PolarHBondContact O-N 3.1Å; Q75-S78 WeakPolarHBondContact O-CB 3.29Å; Q75-S78 PolarHBondContact O-N 3.31Å; Q75-S78 VanDerWaalsContact O-N 3.13Å
76N72.4Confident68Low123 Ų123130.7 Ų130.766%0.65867%0.671SS**Hα-helixtrans-68.8-26.6-179.9-77.6-86.2000113.7A72 R73 R74 S78A72-N76 PolarHBondContact O-N 3.16Å; A72-N76 PolarHBondContact O-ND2 2.71Å; R73-N76 PolarHBondContact O-N 3.18Å; R74-N76 PolarHBondContact O-N 3.27Å; N76-S78 PolarHBondContact O-N 3.07Å
77M59.7Low65.4Low136 Ų136131 Ų13167%0.6768%0.681SS**THydrogen-bonded Turntrans-72.6-8.1173.4-70.7-72.9-60.900113.5R73 R74 Q75R73-M77 VanDerWaalsContact O-CG 3.25Å; R73-M77 WeakPolarHBondContact O-CG 3.45Å; R73-M77 PolarHBondContact O-N 2.84Å; R73-M77 VanDerWaalsContact O-N 3.13Å; R74-M77 PolarHBondContact O-N 3.19Å; Q75-M77 VanDerWaalsContact C-N 3.31Å; Q75-M77 PolarHBondContact O-N 3.1Å
78S57.2Low62.8Low96 Ų96134.9 Ų134.967%0.67170%0.699SS**THydrogen-bonded Turntrans-96.72.9-179.4-600000114.5R74 Q75 N76R74-S78 PolarHBondContact O-OG 3.45Å; Q75-S78 WeakPolarHBondContact O-CB 3.29Å; Q75-S78 PolarHBondContact O-N 3.31Å; Q75-S78 VanDerWaalsContact O-N 3.13Å; N76-S78 PolarHBondContact O-N 3.07Å
79I54.2Low60.4Low148 Ų148141.4 Ų141.476%0.75972%0.72SS**  trans-123.645.6-173.6-38.2-179.9000111.1
80S45.5Very low57.7Low89 Ų89143.2 Ų143.262%0.62273%0.729SS**  trans-117.3117.6-178.9600000112.8
81S44.1Very low55.3Low121 Ų121146.2 Ų146.285%0.84675%0.745SS**  trans72.2156.3173.2-60.30000117.3
82P44.8Very low53Low105 Ų105150 Ų15068%0.68276%0.763SS**  cis-115.7147.7-4.337.2-24.6000114.3
83W35.4Very low50.9Low274 Ų274156.2 Ų156.2100%1.03879%0.789SS**  trans-87.1121.3151.3-83-10.3000108.3
84S44Very low48.7Very low97 Ų97157.2 Ų157.268%0.67880%0.798SS**  trans-127.2120.7178.551.70000111.1
85N38.5Very low46.6Very low155 Ų155153.9 Ų153.983%0.82980%0.8SS**  trans18.2111.1158.2-56.2-12.6000118.3
86N41.4Very low44.7Very low157 Ų157154.4 Ų154.484%0.8480%0.802SS**  trans-162.8107.3143.5-101.5-37.8000110.9
87H41.2Very low43.3Very low200 Ų200155.3 Ų155.393%0.92680%0.804SS**  trans-169.189.3154.5-101.3-60.7000108.8
88Q36.8Very low42.3Very low194 Ų194156.1 Ų156.191%0.90781%0.806SS**  trans-129.581.8170.8-177.3-179.3-12.300108.7
89E42.4Very low41.5Very low190 Ų190156 Ų15689%0.88881%0.805SS**  trans-158.2160.7166.1-125178.4163.300110.2
90L36.4Very low40.8Very low165 Ų165157.2 Ų157.286%0.86481%0.81SS**  trans80.453.6-177.2-147.578000117.5
91L38.6Very low40.3Very low169 Ų169157.4 Ų157.489%0.88581%0.811SS**  trans-96108.2141.5-87.376.8000108.1
92E42.2Very low40Very low178 Ų178159 Ų15983%0.83281%0.81SS**  trans177.2106.9142.4-104.1171.9-168.100111.2
93N43.4Very low39.6Very low177 Ų177160.8 Ų160.895%0.94781%0.813SS**  trans-173.6144.4134.8-99.5-61.2000108.8
94K40.7Very low39.7Very low199 Ų199151.6 Ų151.687%0.86579%0.791SS**  trans-147.5104.4-152173.3-163.1171.6-173.30111.8
95T41.3Very low39.3Very low123 Ų123154.6 Ų154.676%0.75580%0.799SS**  trans-145.4115.4172.9-31.10000112.8
96E38.7Very low39.3Very low147 Ų147152.5 Ų152.569%0.68780%0.797SS**  trans44.7118.2146.6-63.4179.7101.600123.9
97M43.7Very low39.3Very low142 Ų142154.2 Ų154.270%0.780%0.797SS**  70.7152.1127.2-61.4-160.2-61.800119.7
98Q38.6Very low39Very low152 Ų152153.9 Ų153.971%0.7179%0.793SS**  cis-153.1166.65.5-134.716753.900111.5
99S38.8Very low39.3Very low93 Ų93151.2 Ų151.265%0.6578%0.782SS**  trans35.7111158.157.30000120.5
100M39.5Very low39Very low175 Ų175145 Ų14586%0.86277%0.769SS**  87.7124.266.8-80.1-147.6-58.500117.5
101S36.3Very low39.1Very low93 Ų93147 Ų14765%0.6577%0.767SS**  trans87.7107.9136.4-65.10000124.7
102L38Very low39.1Very low155 Ų155145.9 Ų145.981%0.81276%0.761SS**  80.2133.1118.1-63.9172.3000124.3
103N36.3Very low38.9Very low141 Ų141143.3 Ų143.375%0.75476%0.76SS**  trans86.5105.5136.6-101.13.8000125.2
104S36.5Very low38.6Very low81 Ų81138.4 Ų138.457%0.56675%0.751SS**  66.1122.6114.2740000124.1
105N36Very low38.3Very low161 Ų161133.2 Ų133.286%0.86175%0.745SS**  trans58.7125.8131.3-64.8-17.8000122.7
106S39.3Very low38.1Very low110 Ų110136.9 Ų136.977%0.76975%0.751SS**  -160.8137.1115.652.40000115.6
107K41.7Very low37.9Very low194 Ų194137.9 Ų137.984%0.84376%0.756SS**  trans24.9138.9135.5-53.8177.5-177.8178.80119.2
108F34.2Very low37.6Very low192 Ų192137.7 Ų137.784%0.84276%0.763SS**  -156.5-179.175.7-150.2-106.9000115.7
109M43.1Very low37.7Very low138 Ų138139 Ų13968%0.6877%0.766SS**  trans-86.7169.9-174.6-60.4177.568.800113.3Y111M109-Y111 HydrophobicContact CE-CE2 4.33Å
110G35.3Very low37.9Very low59 Ų59140.8 Ų140.861%0.60878%0.775SS**  cis160.5-175.5-2.600000112.1
111Y38.4Very low37.4Very low209 Ų209137.3 Ų137.382%0.8277%0.768SS**  trans67.8156.6177.8-56.3-84.5000117.5M109M109-Y111 HydrophobicContact CE-CE2 4.33Å
112D38.7Very low37.4Very low145 Ų145142.2 Ų142.278%0.77578%0.778SS**  cis-163.6141.2-42-15623000107.9
113P38.9Very low37Very low124 Ų124140.9 Ų140.981%0.80578%0.777SS**  trans-107.5132.7-169.836.4-28.4000115.2
114G36Very low37Very low73 Ų73140.3 Ų140.375%0.75378%0.778SS**  trans-172.6131169.500000115.5
115A35.8Very low36.9Very low90 Ų90140.6 Ų140.674%0.74478%0.78SS**  trans59.9146.8176.300000115.9
116F37.4Very low36.6Very low201 Ų201138.7 Ų138.788%0.88278%0.779SS**  cis-134.2155.623.9-97.6-91.7000114
117E33Very low36.6Very low167 Ų167141.7 Ų141.778%0.7878%0.778SS**  trans-91.6137.5172.8175.6177.5-147.400111.2
118T38.9Very low36.4Very low139 Ų139139.8 Ų139.885%0.85378%0.778SS**  trans-165.7123151.30.10000111.9
119K39.7Very low36.3Very low179 Ų179139.2 Ų139.278%0.77878%0.775SS**  trans-110.2150.3162.6-65.8174-177.4167.20108.9
120P42.5Very low36.1Very low130 Ų130138.6 Ų138.684%0.84478%0.782SS**  trans-114.1107.9149.132.5-22.9000110.3
121S29.9Very low36Very low102 Ų102143.5 Ų143.571%0.71379%0.789SS**  trans-72.7149.4158.5-59.90000109.1
122F35.3Very low36Very low196 Ų196140.9 Ų140.986%0.8679%0.789SS**  trans-135.7109159.5-144-90.5000112.7V124F122-V124 HydrophobicContact CD1-CG2 3.93Å; F122-V124 HydrophobicContact CE1-CG2 4.16Å
123T30.7Very low35.9Very low128 Ų128141 Ų14179%0.78579%0.789SS**  trans-84137.7168.348.70000109.9
124V36.8Very low35.8Very low128 Ų128140.4 Ų140.478%0.77679%0.785SS**  trans-117.9128.5167.3-177.40000109.2F122F122-V124 HydrophobicContact CD1-CG2 3.93Å; F122-V124 HydrophobicContact CE1-CG2 4.16Å
125S32.9Very low36Very low88 Ų88146.1 Ų146.162%0.61579%0.792SS**  trans-86.3131-174.9170.50000111.4
126S29.2Very low36Very low120 Ų120151.2 Ų151.284%0.83980%0.797SS**  trans-70.1130.4162.9-49.50000110.1
127K40.4Very low36.1Very low173 Ų173148.3 Ų148.375%0.75280%0.796SS**  trans-141.6117.3165.9-70.5-166.7178.4-1770112.3
128N36.8Very low36.3Very low155 Ų155148.8 Ų148.883%0.82980%0.798SS**  trans63.7108.6143.7-54.31.5000119.8
129F32.2Very low36.4Very low179 Ų179146.9 Ų146.979%0.78579%0.788SS**  trans-60.1165.1140.8-94-99.2000110.7Q131F129-Q131 HydrophobicContact CD1-CG 4.27Å
130P40Very low36.4Very low126 Ų126145.6 Ų145.682%0.81879%0.79SS**  -116.7154.898.3-7.426.4000113.6
131Q32Very low36Very low161 Ų161145.3 Ų145.375%0.75278%0.781SS**  trans-81.7155161.6-64.8155.2-102.700109.1F129F129-Q131 HydrophobicContact CD1-CG 4.27Å
132D38.5Very low36.5Very low154 Ų154148.3 Ų148.382%0.82478%0.784SS**  -157.2174.2128-125.2-40000113.1
133L37Very low36.5Very low149 Ų149148.4 Ų148.478%0.7878%0.778SS**  trans-72.3159-157.2-95.961000117.9
134P37.3Very low36.9Very low111 Ų111149.4 Ų149.472%0.72177%0.774SS**  trans-93.1157.718037.8-34.7000113.6
135H39.9Very low36.8Very low193 Ų193152.6 Ų152.689%0.89478%0.778SS**  trans-140.1147.8162.6-103.2-91.5000112.9
136K35.4Very low37.1Very low197 Ų197153.6 Ų153.686%0.85778%0.782SS**  trans-61.5151.6173.4-63.8171174.5174.70111.5
137T39Very low37.4Very low140 Ų140155.1 Ų155.186%0.85978%0.78SS**  -172.1154.9116.2-74.90000111.6
138E38.8Very low37.1Very low177 Ų177154.2 Ų154.283%0.82778%0.778SS**  trans-47.8165.9-179.6-82.1-105.995.400118.8
139P40.5Very low37.1Very low99 Ų99153.1 Ų153.164%0.64377%0.772SS**  trans-93.8157.8-175.437.8-34.9000114.3
140N38.4Very low37.1Very low151 Ų151149.6 Ų149.681%0.80777%0.765SS**  trans-156.5167.2146.5-127.6-58.5000115.8
141N35.3Very low37.1Very low124 Ų124153.3 Ų153.366%0.66376%0.764SS**  trans-71.1150.4-174.2-62.7-94.9000113.6
142H40.6Very low37.4Very low166 Ų166150.3 Ų150.377%0.76976%0.761SS**  176.2147.7102.7-92.5-40.5000117
143R35.7Very low37.3Very low197 Ų197150.2 Ų150.274%0.74376%0.76SS**  trans65.4120.7142.6-74177.4175.6-1076122.7
144Q38.2Very low37.3Very low149 Ų149148.6 Ų148.670%0.69676%0.756SS**  80.3102.6126.8-68.9178.3-10000122.4
145F34.5Very low37.7Very low196 Ų196149.1 Ų149.186%0.8676%0.759SS**  trans-32.9156.1130.3-67.1-69.5000114.6
146P40.6Very low37.4Very low108 Ų108146.8 Ų146.870%0.70175%0.754SS**  -158.1150.956.241.8-19.4000122.5
147L34.2Very low37.6Very low152 Ų152149.2 Ų149.280%0.79676%0.757SS**  trans61153.8130.2-63.7174.1000125.3
148H34.8Very low37.5Very low155 Ų155149.9 Ų149.972%0.71876%0.755SS**  trans70.7155.8163.9-89.9-96.4000117.7
149L36.4Very low37.5Very low132 Ų132149.8 Ų149.869%0.69176%0.758SS**  cis-135.3-172.210.5-153121.2000113.4Y151L149-Y151 HydrophobicContact CD2-CD2 4.04Å; L149-Y151 HydrophobicContact CD2-CE2 3.77Å
150T33Very low37.1Very low104 Ų104150.1 Ų150.164%0.63876%0.763SS**  trans-110.7-160.4-16048.10000115.8
151Y38.2Very low37.3Very low205 Ų205148 Ų14880%0.80476%0.757SS**  trans94.6137.5174.3-59.8-79.6000116.9L149L149-Y151 HydrophobicContact CD2-CD2 4.04Å; L149-Y151 HydrophobicContact CD2-CE2 3.77Å
152S39.6Very low37.2Very low98 Ų98150.3 Ų150.369%0.68576%0.764SS**  cis-165.7137.1-10.952.90000115.9
153N36.6Very low37.2Very low151 Ų151148.2 Ų148.281%0.80776%0.763SS**  trans43.2121.6142.2-74.8-10000126
154V37.2Very low37Very low115 Ų115145.7 Ų145.770%0.69777%0.765SS**  17.4152.7121.4-77.90000121.6
155P44.7Very low37.3Very low122 Ų122145.4 Ų145.479%0.79277%0.767SS**  cis-149.9-17945.443.2-21.5000121
156N33.1Very low37.4Very low145 Ų145143.6 Ų143.678%0.77577%0.766SS**  trans-73.5160.5-175-48.9-58.6000115.7
157R40.3Very low37.4Very low247 Ų247145.3 Ų145.393%0.93277%0.768SS**  trans-149.1153.7136.8-115176.8-170.1-119.60.4112.3
158L35.9Very low37.8Very low155 Ų155147 Ų14781%0.81277%0.768SS**  trans-82.9153.8-178-67.871.1000111.4
159I40.7Very low38.3Very low174 Ų174145.1 Ų145.189%0.89277%0.77SS**  -170.5154.1124.8-95.2151.6000109.4
160S32.2Very low38.4Very low107 Ų107145.5 Ų145.575%0.74877%0.771SS**  trans-138.7161.3177.4-150.30000107
161P41.1Very low38.9Very low105 Ų105146.7 Ų146.768%0.68277%0.772SS**  cis-143.5-166.718.440.7-19000116.8
162Q32.9Very low38.8Very low173 Ų173144.6 Ų144.681%0.80877%0.77SS**  trans102.8158.8144-135.9168.988.200119.9
163T41.1Very low38.9Very low123 Ų123148 Ų14876%0.75577%0.774SS**  trans61.970.7174.859.30000120
164N32.5Very low38.9Very low143 Ų143146 Ų14677%0.76577%0.77SS**  18.3114.6122.7-177.913.1000119.2
165I43Very low39.1Very low144 Ų144148.1 Ų148.174%0.73878%0.776SS**  trans-149134.3138.7-88129.2000107.8I167I165-I167 HydrophobicContact CG2-CG1 4.03Å
166D36.8Very low38.9Very low157 Ų157150.7 Ų150.784%0.8478%0.783SS**  trans-75.9117.6175.3-103.9-47.3000111.4
167I42.3Very low39Very low145 Ų145150 Ų15074%0.74479%0.789SS**  trans-119.3111.1169.6-56.1-177.5000109I165I165-I167 HydrophobicContact CG2-CG1 4.03Å
168K41.5Very low38.6Very low186 Ų186143.5 Ų143.581%0.80978%0.781SS**PPolyproline II helixtrans-73.3132171.5-76.6179.3176.8173.40110.2I170K168-I170 PolarHBondContact O-N 3.33Å
169P45.6Very low38.9Very low116 Ų116142 Ų14275%0.75378%0.783SS**PPolyproline II helixtrans-69.4129.9173.628.5-33.6000110.6
170I38Very low38.8Very low140 Ų140140.2 Ų140.272%0.71878%0.781SS**PPolyproline II helixtrans-79.6121171.1-60172.6000107.9K168K168-I170 PolarHBondContact O-N 3.33Å
171I44.6Very low39.1Very low129 Ų129140.6 Ų140.666%0.66278%0.781SS**  trans-103.5109.6169.9-62.2178.1000107.8
172H36.2Very low39.1Very low161 Ų161142.4 Ų142.475%0.74579%0.79SS**PPolyproline II helixtrans-75.2123.2172.5-73-102.5000109.9
173H40.8Very low39.3Very low169 Ų169137.6 Ų137.678%0.78279%0.786SS**PPolyproline II helixtrans-102.2117.8163.2-72.4-74.1000108.8
174P37.5Very low39.4Very low110 Ų110136.6 Ų136.671%0.71478%0.784SS**PPolyproline II helixtrans-77168.617034-34.8000110.8
175L41.5Very low39.9Very low160 Ų160138.7 Ų138.784%0.83879%0.787SS**  trans69.192.7175.2-46.2179.6000115.2
176L38.9Very low39.9Very low176 Ų176139.9 Ų139.992%0.92180%0.795SS**  166.684.9110.6-85.2174.5000110.4
177S35.7Very low39.7Very low129 Ų129137.4 Ų137.490%0.90279%0.789SS**  trans-97.1122.5166.3-69.70000110.1
178S33Very low39.7Very low112 Ų112136.1 Ų136.178%0.78379%0.789SS**  trans-75144.3171.354.50000112.2
179S40.4Very low39.6Very low122 Ų122135 Ų13585%0.85379%0.788SS**  trans-160.8142.2152.5-82.20000111.4
180V38.7Very low39.6Very low138 Ų138139 Ų13984%0.83679%0.79SS**  trans-134.1135.8173.7173.30000107.1
181P39.3Very low40.4Very low115 Ų115137.4 Ų137.475%0.74779%0.786SS**  trans-144.2123137.732-14.4000115.4
182V40.3Very low40.4Very low143 Ų143140.5 Ų140.587%0.86780%0.798SS**  40.3120.9127.9-171.30000120.3
183G38.2Very low41.3Very low72 Ų72140.7 Ų140.774%0.74280%0.799SS**  trans109.6145148.200000115.9
184S42.2Very low41.8Very low102 Ų102141.2 Ų141.271%0.71380%0.802SS**  cis-163148.5-8.7710000112
185K43.3Very low42.7Very low187 Ų187143.4 Ų143.481%0.81381%0.807SS**  trans55.6110157-57.7167.8-175.6176.70118
186N43Very low43.3Very low169 Ų169143.2 Ų143.290%0.90481%0.807SS**  -163.8159.5104.5-94-12.9000110.8
187S33.1Very low44.4Very low104 Ų104141.4 Ų141.473%0.72780%0.798SS**  trans-109132.4-173.4-178.10000111.4
188T43Very low45.6Very low119 Ų119142.4 Ų142.473%0.7379%0.794SS**  trans-145.6139.1153.5-60.50000107.1Y190T188-Y190 HydrophobicContact CG2-CD2 4.04Å; T188-Y190 HydrophobicContact CG2-CE2 3.67Å
189M38Very low46.5Very low162 Ų162144.9 Ų144.980%0.79880%0.798SS**  trans-98.3129.5176.4-53-151.8-46.800111.2
190Y46.8Very low47.5Very low201 Ų201146.2 Ų146.279%0.78880%0.796SS**  trans-137110.1151.5-72.6-77.7000104.6T188T188-Y190 HydrophobicContact CG2-CD2 4.04Å; T188-Y190 HydrophobicContact CG2-CE2 3.67Å
191V54.5Low48.4Very low106 Ų106146.3 Ų146.364%0.64279%0.789SS**  71.3121.479.5173.90000109.7E193V191-E193 HydrophobicContact CG1-CG 4.22Å
192E44.6Very low49.2Very low194 Ų194147.4 Ų147.491%0.90779%0.788SS**  trans-79.3124.9172.3-58.6-177.4150.700107.1
193E53.9Low49.7Very low164 Ų164148.9 Ų148.977%0.76679%0.785SS**  trans-112.5132.1171-67.6-177.5164.900107.4V191V191-E193 HydrophobicContact CG1-CG 4.22Å
194E51.4Low49.7Very low181 Ų181153.8 Ų153.885%0.84679%0.794SS**  trans-93.4118.8-176.5-65.4174.7113.800108.4D196E194-D196 PolarHBondContact O-N 3.12Å
195D57.2Low49.7Very low155 Ų155152.6 Ų152.683%0.82980%0.798SS**  trans-72.368.3176.3-65.3-33.1000111D197D195-D197 PolarHBondContact O-N 3.42Å
196D53.5Low49.7Very low157 Ų157152.6 Ų152.684%0.8480%0.801SS**  trans-8684.4165.4-97.5-19.6000109.2E194E194-D196 PolarHBondContact O-N 3.12Å
197D61.7Low49.6Very low137 Ų137150.9 Ų150.973%0.73380%0.802SS**  trans-97.8135.6178.7-85.6-31.6000113.5D195D195-D197 PolarHBondContact O-N 3.42Å
198D61.6Low49.8Very low150 Ų150149.5 Ų149.580%0.80281%0.805SS**  trans67.278.3158.2-61.1-24.6000119.9
199D52.8Low49.4Very low164 Ų164149.8 Ų149.888%0.87781%0.806SS**  trans-63.9119.4143-102.7-43.5000110.6
200D61.5Low49.4Very low151 Ų151153.1 Ų153.181%0.80781%0.811SS**  trans-144.788.4161-126.4-8.3000108.6
201M56.4Low48.9Very low140 Ų140148.8 Ų148.869%0.6981%0.805SS**  81.2111.588.6-79-75.7-153.200115.2
202L56.5Low48.2Very low138 Ų138152.1 Ų152.172%0.72382%0.819SS**  trans67.5153147.9-51.8175.1000117.9
203Q51.1Low47.8Very low173 Ų173145.4 Ų145.481%0.80880%0.802SS**  cis-155.7153-39.8-125.2172.510.700106.8G205Q203-G205 PolarHBondContact O-N 2.95Å
204N38.3Very low47.2Very low175 Ų175146.8 Ų146.894%0.93681%0.806SS**  trans-75.8124.9171.4-63.6-58.3000109.5
205G41.4Very low47Very low77 Ų77143.2 Ų143.279%0.79480%0.798SS**  trans-140.1112.7179.200000112.1Q203Q203-G205 PolarHBondContact O-N 2.95Å
206E43.1Very low46.2Very low188 Ų188145 Ų14588%0.87980%0.799SS**  trans-91.7152.7173.5-72.2-177.88400112
207S41.7Very low45.8Very low133 Ų133142.6 Ų142.693%0.9379%0.789SS**  trans66.5170.4168.482.40000116.7
208G37.7Very low44.7Very low75 Ų75144.1 Ų144.177%0.77379%0.79SS**  trans115.968.1177.400000115
209V33Very low43.8Very low124 Ų124145.2 Ų145.275%0.75279%0.788SS**  trans-75.3137.4160.6-169.10000107.9
210Y38.7Very low43Very low233 Ų233144.7 Ų144.791%0.91479%0.785SS**  trans-171.5150.6134.2-90.8-53.5000113.4
211T36.4Very low42.1Very low109 Ų109143.1 Ų143.167%0.66979%0.786SS**  trans-87.6144.6-165.6-540000114.1
212L38.7Very low41.6Very low176 Ų176141.7 Ų141.792%0.92179%0.787SS**  trans170.1131.6139.6-93155000110.4
213G37.7Very low41.1Very low53 Ų53145.4 Ų145.455%0.54680%0.797SS.*  cis175.7131-15.300000114.4
214F41.2Very low40.4Very low194 Ų194142.1 Ų142.185%0.85179%0.794SS**  trans60.7163.8149.6-62.7-60.9000121.8
215P46.6Very low40.5Very low105 Ų105138.4 Ų138.468%0.68279%0.788SS**  cis-138.9162.7-39.536.9-22.1000114.8
216K40.8Very low40.3Very low194 Ų194141.5 Ų141.584%0.84379%0.786SS**  -172.2111.9129.2-104.7157.2-174.6173.20113.5
217T44.5Very low40Very low105 Ų105138.6 Ų138.664%0.64478%0.776SS**  trans31129.2137.258.30000119.4
218F40.1Very low39.8Very low169 Ų169138.3 Ų138.374%0.74177%0.768SS**  -165.5158.460.6-98.9-76.1000114.8
219F41.7Very low39.9Very low174 Ų174138 Ų13876%0.76377%0.766SS**  trans49.3104.1167.6-65.8-74.9000118.6
220N36.4Very low40.3Very low153 Ų153139.2 Ų139.282%0.81877%0.766SS**  78.496.970.6-82.17.7000116.5
221S41.9Very low40.3Very low118 Ų118136.2 Ų136.283%0.82576%0.76SS**  167.2117.2120-175.40000112.1
222P47Very low40.3Very low110 Ų110135.3 Ų135.371%0.71476%0.759SS**  trans-131.4154.2159.737.8-25.1000113.5
223F44.6Very low40.3Very low215 Ų215132.3 Ų132.394%0.94375%0.752SS**  trans-130147159.7-114.1-90000109.4
224S36.7Very low40.4Very low105 Ų105134.2 Ų134.273%0.73476%0.757SS**  trans-126-176.8-164-57.10000112.3
225A40.7Very low40.4Very low97 Ų97134.6 Ų134.680%0.80276%0.759SS**  trans82.8148.1161.600000118.4
226N36.3Very low40.5Very low141 Ų141134.8 Ų134.875%0.75476%0.76SS**  cis-166.1173.3-32.6-145.7-9.8000112
227L38.1Very low40.5Very low128 Ų128131.5 Ų131.567%0.6776%0.762SS**  trans55105.3145.8-76.1159.6000122.5
228T36.6Very low40.3Very low126 Ų126129.9 Ų129.977%0.77377%0.766SS**  46.8130.512259.80000124.4
229G39.1Very low40.8Very low70 Ų70128 Ų12872%0.72277%0.77SS**  trans-179.6123.8150.400000108.7
230I41.6Very low40.9Very low148 Ų148127.2 Ų127.276%0.75977%0.771SS**  cis115.3104.235.2-80.4172.1000110.3
231Q39.3Very low41.4Very low170 Ų170127 Ų12779%0.79478%0.776SS**  trans73.7129.3143.2-74.2-174.832.400125.6
232S37.5Very low41.3Very low91 Ų91125.2 Ų125.264%0.63676%0.763SS**  91.2127.2125.7-66.90000124.7
233S38.8Very low41Very low112 Ų112130.3 Ų130.378%0.78377%0.774SS**  trans64.3151.9140.855.60000121.7
234S39.4Very low40.7Very low93 Ų93124.4 Ų124.465%0.6577%0.765SS**  cis-175.6151.5-21.555.70000113
235F41.4Very low40.7Very low203 Ų203122.7 Ų122.789%0.8976%0.764SS**  trans69.2164154.2-69.2-52.7000121.1
236P48.7Very low40.7Very low109 Ų109125 Ų12571%0.70876%0.762SS**  trans-131.4178.7-154.444.7-29.3000116.3
237S40.3Very low40.8Very low125 Ų125126.3 Ų126.387%0.87476%0.763SS**  trans-173.9164.5147.9-85.90000113
238G39.9Very low40.8Very low70 Ų70125.1 Ų125.172%0.72277%0.765SS**  trans-82.9-162.517300000114
239P51.3Low40.7Very low130 Ų130124.1 Ų124.184%0.84476%0.764SS**  -149.3-178.857.142.2-22.4000118.5
240M42.4Very low40.6Very low157 Ų157128.6 Ų128.677%0.77377%0.771SS**  trans-18.1149166.1-56.1177.274.100121.8
241T48.4Very low40.1Very low150 Ų150126.2 Ų126.292%0.9277%0.767SS**  -139.1160.5118.646.30000110.2
242S38Very low40.1Very low80 Ų80126.2 Ų126.256%0.55977%0.767SS**  trans-157.9156.1-175.356.50000110.6
243F40.6Very low40Very low217 Ų217126.3 Ų126.395%0.95277%0.768SS**  trans-165.1169.1147.2-102.7-60.9000113.4
244A40.3Very low40Very low90 Ų90128 Ų12874%0.74477%0.767SS**  trans-62.8169.5-172.200000115.1
245G36.2Very low39.9Very low70 Ų70127.9 Ų127.972%0.72277%0.766SS**  cis123-175.67.900000112
246I39.3Very low39.7Very low146 Ų146125.5 Ų125.575%0.74976%0.763SS**  trans86.3111.6171.7-61175.5000118
247H40Very low39.1Very low167 Ų167127.8 Ų127.877%0.77377%0.767SS**  35.5152.8128.8-55.8-68.1000122.2
248S37.1Very low39Very low103 Ų103127.4 Ų127.472%0.7276%0.762SS**  cis-166.6176.2-6.7-105.20000110.6
249S36Very low38.6Very low106 Ų106130.8 Ų130.874%0.74177%0.768SS**  trans-59.8148.7175.253.90000116.5
250N35.2Very low38Very low164 Ų164130.1 Ų130.188%0.87777%0.767SS**  -161.9172.7121.3-131.2-21.6000115.1
251S32.2Very low37.6Very low97 Ų97129.9 Ų129.968%0.67877%0.768SS**  trans-122.3148.7-177.4179.10000112.8
252Q38.8Very low37Very low171 Ų171130.4 Ų130.480%0.79977%0.765SS**  trans169.3123.6157.2-93.6154.544.700107.1
253S34.9Very low36.9Very low93 Ų93130.3 Ų130.365%0.6578%0.776SS**  cis91.8160.849.177.60000113.7
254I39.2Very low36.6Very low147 Ų147128.2 Ų128.275%0.75477%0.769SS**  trans87.789.1177.9-55.2162.5000113.7
255S36.8Very low36.3Very low90 Ų90129.5 Ų129.563%0.62977%0.768SS**  92.2151.896.192.50000113.4
256N38.3Very low36.4Very low154 Ų154134.8 Ų134.882%0.82477%0.773SS**  cis-147.2170.518.2-112.6-35.6000114.3
257I35.8Very low35.9Very low157 Ų157137.2 Ų137.281%0.80578%0.779SS**  trans-98.7168.5178.9-85164000108.4
258P38Very low35.7Very low117 Ų117136.4 Ų136.476%0.7679%0.786SS**  cis-139.3179.22922.85.2000119.8
259V31Very low35.3Very low140 Ų140139.8 Ų139.885%0.84879%0.79SS**  trans-91.6142.4160.5-119.30000111.6
260S38.6Very low35.1Very low117 Ų117140.3 Ų140.382%0.81879%0.792SS**  trans-151.7123.7156.9-770000107.1
261N35.6Very low35.1Very low151 Ų151139.8 Ų139.881%0.80779%0.788SS**  cis104.6114.529.3-165.729.4000112.5
262L34.3Very low35.6Very low162 Ų162140.5 Ų140.585%0.84879%0.791SS**  trans57116.3158.3-155.367.2000120.7
263G36.3Very low36Very low77 Ų77137.8 Ų137.879%0.79479%0.788SS**  trans-172.1125164.200000111.8
264Q34.6Very low35.9Very low173 Ų173141 Ų14181%0.80880%0.798SS**  trans-93.9147.2-178.6-58.4172.15.600111.1
265T34.2Very low35.8Very low118 Ų118143.9 Ų143.972%0.72480%0.801SS**  168.3142.4113.434.40000114.7
266H37.7Very low35.7Very low180 Ų180144.1 Ų144.183%0.83380%0.802SS**  trans53.5144.1153.8-66.7-65.5000124.3
267F29.9Very low35.3Very low198 Ų198144.7 Ų144.787%0.86881%0.806SS**  trans-83.8148.1179.4-74.3-120.9000112.6
268V34.5Very low35.1Very low150 Ų150142.7 Ų142.791%0.90980%0.801SS**  trans-135.1143.2134.3-176.70000108.5
269Q29.4Very low34.7Very low174 Ų174141.7 Ų141.781%0.81380%0.796SS**  trans-105.9132-169.9169-177.4-13.200111.7
270C31.2Very low34.8Very low116 Ų116144 Ų14478%0.78480%0.795SS**  trans-150107.1168.2-1070000113.6
271L36.1Very low34.4Very low153 Ų153142.3 Ų142.380%0.80178%0.783SS**  trans44.3123.8140.9-66155.3000121.4
272P42.4Very low34.1Very low112 Ų112140.9 Ų140.973%0.72778%0.783SS**  trans-71.7157.3155.933.5-33.9000111.3
273P48.1Very low34Very low115 Ų115138.1 Ų138.175%0.74777%0.772SS**  trans-72.4139.4-172.128.8-35.6000113.3Y275P273-Y275 HydrophobicContact CB-CD2 4.29Å; P273-Y275 HydrophobicContact CB-CE2 4.4Å
274N32.1Very low33.7Very low160 Ų160139.9 Ų139.986%0.85677%0.772SS**  trans-106.1100.2-175-152.4-11000110.3
275Y37.4Very low33.6Very low207 Ų207139.1 Ų139.181%0.81277%0.769SS**  trans-149.2131.9176.4-68-71000109.3P273P273-Y275 HydrophobicContact CB-CD2 4.29Å; P273-Y275 HydrophobicContact CB-CE2 4.4Å
276S34.4Very low33.3Very low95 Ų95139.9 Ų139.966%0.66477%0.773SS**  cis-151.9153.3-8.6-77.60000109.4V278S276-V278 PolarHBondContact O-N 3.44Å
277N28.8Very low33Very low166 Ų166138.2 Ų138.289%0.88877%0.77SS**  trans-60.3117.1175.6-76.5-32.4000112.3S279N277-S279 PolarHBondContact O-N 3.45Å
278V32.7Very low32.9Very low116 Ų116136.6 Ų136.670%0.70377%0.77SS**  trans-90.783.8162.1-173.80000108.2S276 F280S276-V278 PolarHBondContact O-N 3.44Å; V278-F280 HydrophobicContact CG1-CD2 4.24Å; V278-F280 HydrophobicContact CG1-CE2 3.75Å; V278-F280 HydrophobicContact CG1-CZ 4.07Å; V278-F280 PolarHBondContact O-N 3.21Å
279S28.7Very low33Very low95 Ų95134.7 Ų134.766%0.66476%0.759SS**  trans-70.7109.1175.4-174.70000110.4N277 S281N277-S279 PolarHBondContact O-N 3.45Å; S279-S281 VanDerWaalsContact C-N 3.26Å; S279-S281 PolarHBondContact O-N 2.98Å
280F34.2Very low33Very low188 Ų188132.2 Ų132.283%0.82576%0.758SS**  trans-78.776.1169.9-77.6-81.8000110.6V278V278-F280 HydrophobicContact CG1-CD2 4.24Å; V278-F280 HydrophobicContact CG1-CE2 3.75Å; V278-F280 HydrophobicContact CG1-CZ 4.07Å; V278-F280 PolarHBondContact O-N 3.21Å
281S29.1Very low33.2Very low82 Ų82132.7 Ų132.757%0.57376%0.757SS**  trans-56.8133.5167.8-65.10000110.4S279 V283S279-S281 VanDerWaalsContact C-N 3.26Å; S279-S281 PolarHBondContact O-N 2.98Å; S281-V283 PolarHBondContact O-N 3.43Å
282P30.1Very low33.2Very low122 Ų122132.1 Ų132.179%0.79276%0.755SS**  trans-73.190.517929.3-34.3000110.6S284P282-S284 PolarHBondContact O-N 3Å
283V33Very low32.6Very low104 Ų104135.7 Ų135.763%0.6376%0.761SS**  trans-76.688.2177.3178.10000110S281 Q285S281-V283 PolarHBondContact O-N 3.43Å; V283-Q285 VanDerWaalsContact C-N 3.27Å; V283-Q285 HydrophobicContact CG1-CB 4.34Å; V283-Q285 HydrophobicContact CG1-CG 3.72Å; V283-Q285 PolarHBondContact O-N 2.94Å
284S28.7Very low31.8Very low113 Ų113137.5 Ų137.579%0.7976%0.763SS**  trans-68.178.8168.6-64.80000111.3P282P282-S284 PolarHBondContact O-N 3Å
285Q33.2Very low31.7Very low158 Ų158140.9 Ų140.974%0.73876%0.764SS**  trans-97.195.9169.2-83.5-177.242.700111.1V283 L287V283-Q285 VanDerWaalsContact C-N 3.27Å; V283-Q285 HydrophobicContact CG1-CB 4.34Å; V283-Q285 HydrophobicContact CG1-CG 3.72Å; V283-Q285 PolarHBondContact O-N 2.94Å; Q285-L287 PolarHBondContact O-N 3.25Å; Q285-L287 VanDerWaalsContact O-N 3.17Å
286T27.3Very low31.4Very low134 Ų134138.9 Ų138.982%0.82277%0.767SS**  trans-69101164.849.40000109.7
287L32Very low31.2Very low144 Ų144141.8 Ų141.875%0.75477%0.773SS**  trans-119.2107172.1-158.673.1000110.6Q285 T289Q285-L287 PolarHBondContact O-N 3.25Å; Q285-L287 VanDerWaalsContact O-N 3.17Å; L287-T289 PolarHBondContact O-N 3.31Å
288N27.8Very low31.4Very low165 Ų165144.2 Ų144.288%0.88277%0.77SS**  trans-75.3110.9-179.9-70.4-24.9000110.9
289T36.5Very low31.5Very low110 Ų110144.3 Ų144.368%0.67577%0.773SS**  trans-134.2136.4162.852.50000110.1L287L287-T289 PolarHBondContact O-N 3.31Å
290P30.3Very low31.5Very low121 Ų121145 Ų14579%0.78678%0.778SS**  trans-73.6131.5-168.928.8-35.1000112.9N292P290-N292 PolarHBondContact O-N 2.89Å
291V34.7Very low31.8Very low126 Ų126142.7 Ų142.776%0.76477%0.772SS**  trans-79.1107.4173.5179.40000109.4H293V291-H293 PolarHBondContact O-N 3.43Å
292N35.3Very low31.9Very low142 Ų142144.8 Ų144.876%0.75978%0.784SS**  trans-68.1123170.7-83.3-44.2000110.6P290 I294P290-N292 PolarHBondContact O-N 2.89Å; N292-I294 PolarHBondContact O-N 3.23Å; N292-I294 VanDerWaalsContact O-N 3.09Å
293H29.3Very low32.3Very low186 Ų186147 Ų14786%0.86178%0.784SS**  trans-72.299179.1-70.5-71.5000112.1V291V291-H293 PolarHBondContact O-N 3.43Å
294I31.4Very low32.2Very low154 Ų154147.6 Ų147.679%0.7979%0.79SS**  trans-92.8119.3165.5-59.7179.6000108.7N292 L296N292-I294 PolarHBondContact O-N 3.23Å; N292-I294 VanDerWaalsContact O-N 3.09Å; I294-L296 PolarHBondContact O-N 3.32Å
295R30.8Very low32.2Very low230 Ų230150.2 Ų150.287%0.86880%0.795SS**  trans-72.7121.3176.2-68.4-177.2175.7-162.4-0.8110I297R295-I297 PolarHBondContact O-N 3.05Å
296L30.7Very low32.3Very low166 Ų166149.6 Ų149.687%0.86980%0.802SS**  trans-69.1114.8163.5-9980.2000109.7I294I294-L296 PolarHBondContact O-N 3.32Å
297I31.5Very low32.6Very low156 Ų156147 Ų14780%0.880%0.802SS**  trans-81.6119.6162.5-60.2175.8000106.9R295 P299R295-I297 PolarHBondContact O-N 3.05Å; I297-P299 WeakPolarHBondContact O-CD 3.4Å
298R32.6Very low32.6Very low216 Ų216142.4 Ų142.482%0.81579%0.789SS**  trans-77.6124.7171.6-82.2-176.1171.3-176.5-2.7109.9S300R298-S300 PolarHBondContact O-N 3.35Å
299P33.8Very low33Very low118 Ų118139.3 Ų139.377%0.76678%0.776SS**  trans-75.2115.215630.4-29.6000108.7I297 I301I297-P299 WeakPolarHBondContact O-CD 3.4Å; P299-I301 PolarHBondContact O-N 3.06Å
300S30.4Very low32.9Very low110 Ų110137.7 Ų137.777%0.76977%0.766SS**  trans-88103.7177.6-63.70000110.3R298R298-S300 PolarHBondContact O-N 3.35Å
301I40.1Very low33.4Very low139 Ų139137.6 Ų137.671%0.71375%0.753SS**  trans-126.3117.9169.9-56.8179.2000108.5P299 Q303P299-I301 PolarHBondContact O-N 3.06Å; I301-Q303 HydrophobicContact CG2-CG 4.48Å
302P30.1Very low33.5Very low126 Ų126135.5 Ų135.582%0.81874%0.74SS**  trans-81.7125.6170.331.9-30.5000110.1
303Q38.4Very low34Very low170 Ų170132.4 Ų132.479%0.79472%0.723SS**  trans-128.6151.9163.8-82.9-155.6-14.600110.5I301I301-Q303 HydrophobicContact CG2-CG 4.48Å
304P31.6Very low34.2Very low116 Ų116129 Ų12975%0.75371%0.711SS**  trans-76.3163-165.630.5-36.5000114.2T306P304-T306 PolarHBondContact O-N 3.03Å
305N29.4Very low34.7Very low168 Ų168123.1 Ų123.190%0.89869%0.685SS**SBendtrans-72.588.6-167.3-61.5-39.1000114.5
306T35.1Very low34.9Very low145 Ų145117.3 Ų117.389%0.8968%0.678SS**  trans-155.2130.71546.40000110.9P304P304-T306 PolarHBondContact O-N 3.03Å
307G31.8Very low35.6Very low79 Ų79115 Ų11581%0.81468%0.675SS**SBendtrans107.3149.1177.200000114.6
308G33.2Very low36.3Very low47 Ų47115.4 Ų115.449%0.48568%0.679SS.*  trans-74.7148.1-174.200000114.1V310 V326G308-V310 PolarHBondContact O-N 3.46Å; G308-V326 WeakPolarHBondContact CA-O 3.32Å
309V35.6Very low37Very low100 Ų100107.5 Ų107.561%0.60666%0.657SS**  trans-71113.6178.2179.60000110.1
310V34.8Very low37.8Very low77 Ų77104.4 Ų104.447%0.46764%0.637SS.*EExtended strand (participates in β ladder)trans-78122.7173.3-179.70000110.1G308 V312 I323 I324G308-V310 PolarHBondContact O-N 3.46Å; V310-V312 HydrophobicContact CG1-CG2 4.44Å; V310-I323 HydrophobicContact CG1-CG2 3.58Å; V310-I324 WeakPolarHBondContact CA-O 3.46Å
311K40.1Very low39Very low119 Ų119101.3 Ų101.352%0.51761%0.613SS.*EExtended strand (participates in β ladder)trans-111.7123.5166.6-67.2175.2-176.1167.60109.7I324K311-I324 HydrophobicContact CB-CB 4.23Å; K311-I324 PolarHBondContact N-O 2.67Å; K311-I324 WeakPolarHBondContact O-CB 3.34Å; K311-I324 PolarHBondContact O-N 3.36Å
312V36.8Very low39.5Very low81 Ų8199.1 Ų99.149%0.49160%0.596SS.*EExtended strand (participates in β ladder)trans-94.6127.1168.7-177.70000107.9V310 V321V310-V312 HydrophobicContact CG1-CG2 4.44Å; V312-V321 HydrophobicContact CG1-CG1 4.47Å
313I45.7Very low40.6Very low78 Ų7893.9 Ų93.940%0.456%0.561SS.*EExtended strand (participates in β ladder)trans-120.8106.6173.2-56-176.3000108.3R322 I324I313-R322 PolarHBondContact N-O 3.48Å; I313-R322 VanDerWaalsContact N-O 3.16Å; I313-I324 HydrophobicContact CD1-CD1 3.63Å; I313-I324 HydrophobicContact CG1-CD1 4.13Å
314N35.3Very low41.1Very low114 Ų11486.9 Ų86.961%0.6153%0.528SS*.  trans-67140.5172.5-68.515.1000109.7
315A40.4Very low41.6Very low30 Ų3083.6 Ų83.625%0.24851%0.508CS..  trans-122.1159.9174.700000109
316P36.1Very low42.2Very low109 Ų10978.1 Ų78.171%0.70848%0.48SS*.  trans-62.1164.717626-34.5000112.2D318 S319P316-D318 PolarHBondContact O-N 3.4Å; P316-S319 PolarHBondContact O-N 2.94Å; P316-S319 VanDerWaalsContact O-N 3.13Å
317S44.3Very low42.7Very low117 Ų11776.2 Ų76.282%0.81846%0.463SS*.THydrogen-bonded Turntrans-59.73.8-154.456.60000119.4
318D47.2Very low43.1Very low164 Ų16476.1 Ų76.188%0.87744%0.444SS*.THydrogen-bonded Turntrans-131.424.9-178.4-160.833.3000111.6P316P316-D318 PolarHBondContact O-N 3.4Å
319S46.8Very low43.8Very low50 Ų5077 Ų7735%0.3544%0.441SS..SBendtrans-135.3134-175.7-159.80000110.9P316P316-S319 PolarHBondContact O-N 2.94Å; P316-S319 VanDerWaalsContact O-N 3.13Å
320P50.3Low44Very low53 Ų5378.3 Ų78.334%0.34444%0.444SS..  trans-64.6143.1-170.925-35000112.7R322 C756 Y757 R758P320-R322 PolarHBondContact O-N 2.81Å; P320-C756 HydrophobicContact CB-CB 4.48Å; P320-Y757 CarbonylContact C-O 3.54Å; P320-Y757 WeakPolarHBondContact CA-O 3.5Å; P320-Y757 WeakPolarHBondContact CB-O 3.48Å; P320-R758 HydrophobicContact CB-CB 4.09Å
321V55.2Low44.3Very low45 Ų4579.4 Ų79.427%0.27346%0.455SS..EExtended strand (participates in β ladder)trans-67.1118.3177.8179.30000108.7V312 I323 C756 Y757V312-V321 HydrophobicContact CG1-CG1 4.47Å; V321-I323 HydrophobicContact CG1-CG1 4.5Å; V321-C756 WeakPolarHBondContact O-CA 3.45Å; V321-Y757 PolarHBondContact N-O 3.31Å; V321-Y757 PolarHBondContact O-N 3.04Å
322R50.6Low44.1Very low94 Ų9478.3 Ų78.336%0.35546%0.463SS..EExtended strand (participates in β ladder)trans-93.4112.9-179.4-68.7-172.6-76.8-101.12.6110.2I313 P320I313-R322 PolarHBondContact N-O 3.48Å; I313-R322 VanDerWaalsContact N-O 3.16Å; P320-R322 PolarHBondContact O-N 2.81Å
323I54.4Low44Very low16 Ų1684 Ų848%0.08248%0.481CS..EExtended strand (participates in β ladder)trans-102.1113.6166.8-54.5-161000107.8V310 V321 K755 Y757V310-I323 HydrophobicContact CG1-CG2 3.58Å; V321-I323 HydrophobicContact CG1-CG1 4.5Å; I323-K755 PolarHBondContact N-O 2.91Å; I323-K755 PolarHBondContact O-N 3.04Å; I323-K755 VanDerWaalsContact O-O 3.1Å; I323-Y757 HydrophobicContact CB-CE2 4.43Å; I323-Y757 HydrophobicContact CD1-CD2 4.2Å; I323-Y757 HydrophobicContact CD1-CE2 3.6Å; I323-Y757 HydrophobicContact CG1-CD2 4.2Å; I323-Y757 HydrophobicContact CG1-CE2 3.9Å
324I48.2Very low43.3Very low22 Ų2286.5 Ų86.511%0.11350%0.5CS..EExtended strand (participates in β ladder)trans-99.9122.2-173.4-60174.6000108.7V310 K311 I313 V326 E752 V754V310-I324 WeakPolarHBondContact CA-O 3.46Å; K311-I324 HydrophobicContact CB-CB 4.23Å; K311-I324 PolarHBondContact N-O 2.67Å; K311-I324 WeakPolarHBondContact O-CB 3.34Å; K311-I324 PolarHBondContact O-N 3.36Å; I313-I324 HydrophobicContact CD1-CD1 3.63Å; I313-I324 HydrophobicContact CG1-CD1 4.13Å; I324-V326 HydrophobicContact CG2-CG2 4.42Å; I324-E752 HydrophobicContact CG2-CG 4.19Å; I324-E752 WeakPolarHBondContact CG2-OE1 3.25Å; I324-E752 WeakPolarHBondContact CG2-OE2 3.36Å; I324-V754 HydrophobicContact CG1-CG1 4.3Å
325C42.8Very low43.2Very low48 Ų4884.4 Ų84.432%0.32450%0.499SS..EExtended strand (participates in β ladder)trans-113.998.2178.2-64.80000109.9M327 K753C325-M327 PolarHBondContact O-N 3.4Å; C325-K753 WeakPolarHBondContact CB-O 3.42Å
326V41.4Very low42.7Very low52 Ų5289.3 Ų89.332%0.31553%0.528SS..  trans-73122.3177.6-168.80000109.8G308 I324G308-V326 WeakPolarHBondContact CA-O 3.32Å; I324-V326 HydrophobicContact CG2-CG2 4.42Å
327M44.9Very low42.5Very low106 Ų10691.3 Ų91.352%0.52253%0.533SS..  trans-117.4115.5168.3-64.8179.77600108.2C325C325-M327 PolarHBondContact O-N 3.4Å
328D41.1Very low41.9Very low77 Ų7790.7 Ų90.741%0.41254%0.535SS..  trans-93.1118.6175.1-162.9-53.4000109.8N330 S331D328-N330 PolarHBondContact O-N 2.82Å; D328-N330 WeakPolarHBondContact OD1-CB 3.34Å; D328-N330 PolarHBondContact OD1-N 3.25Å; D328-N330 PolarHBondContact OD1-ND2 2.83Å; D328-S331 WeakPolarHBondContact O-CB 3.38Å; D328-S331 PolarHBondContact O-N 3.01Å
329P46.9Very low41.2Very low66 Ų6687.3 Ų87.343%0.42953%0.53SS..THydrogen-bonded Turntrans-63.8-10.3-178.524.9-33.9000114.2Y751P329-Y751 HydrophobicContact CB-CE1 4.19Å; P329-Y751 HydrophobicContact CG-CE1 3.97Å
330N41.3Very low40.6Very low126 Ų12692.6 Ų92.667%0.67455%0.553SS**THydrogen-bonded Turntrans-93.9-0.2179.6-53.3-83.1000113.5D328 S332D328-N330 PolarHBondContact O-N 2.82Å; D328-N330 WeakPolarHBondContact OD1-CB 3.34Å; D328-N330 PolarHBondContact OD1-N 3.25Å; D328-N330 PolarHBondContact OD1-ND2 2.83Å; N330-S332 PolarHBondContact O-N 2.96Å; N330-S332 VanDerWaalsContact O-N 3.08Å
331S41Very low39.7Very low100 Ų10098.9 Ų98.970%0.69958%0.578SS**  trans-67.8-8-174.3-169.50000114.9D328D328-S331 WeakPolarHBondContact O-CB 3.38Å; D328-S331 PolarHBondContact O-N 3.01Å
332S34.8Very low38.6Very low97 Ų97103 Ų10368%0.67861%0.608SS**SBendtrans-100.734.3-17162.40000114.4N330N330-S332 PolarHBondContact O-N 2.96Å; N330-S332 VanDerWaalsContact O-N 3.08Å
333K36Very low37.8Very low199 Ų199101.6 Ų101.687%0.86562%0.623SS**  trans-150.536.6178.1-125.5166.7-169.9172.70116.9
334T31.3Very low36.9Very low132 Ų132110.4 Ų110.481%0.8166%0.661SS**  trans-110.493.6173.6-49.10000111.2
335A32.4Very low36.4Very low70 Ų70114.8 Ų114.858%0.57969%0.691SS**  trans-69.6149.4167.300000110.5N337A335-N337 PolarHBondContact O-N 2.89Å
336P29.8Very low36Very low133 Ų133118.5 Ų118.586%0.86472%0.717SS**SBendtrans-77.861-177.433.3-37000112.5
337N31.8Very low35.4Very low150 Ų150123.4 Ų123.480%0.80274%0.742SS**  trans-125.774.5178.3-88.6-37.4000111A335A335-N337 PolarHBondContact O-N 2.89Å
338A32.6Very low34.7Very low104 Ų104126.2 Ų126.286%0.8676%0.758SS**  trans-121.157.5167.500000109.7
339A32.5Very low34.2Very low94 Ų94129.3 Ų129.378%0.77777%0.774SS**  trans-67.3142.5173.700000111Q341A339-Q341 PolarHBondContact O-N 3.28Å
340L33.1Very low33.5Very low160 Ų160133.9 Ų133.984%0.83879%0.792SS**  trans-37.1122.9174.2-64152.9000114.5
341Q31.6Very low33Very low185 Ų185132.2 Ų132.286%0.86479%0.79SS**  171132.1125.1-94.7157.591.200114.4A339A339-Q341 PolarHBondContact O-N 3.28Å
342S32Very low32.6Very low131 Ų131136.8 Ų136.892%0.91680%0.8SS**  161.6151.7109.5560000113
343G34.9Very low32.6Very low65 Ų65135.9 Ų135.967%0.6781%0.806SS**  trans121.971.6179.500000113
344K35.2Very low32.5Very low202 Ų202135.3 Ų135.388%0.87881%0.806SS**  78149.184.7-81.3-167.9171.5-174.80114.2
345P37.3Very low32.6Very low113 Ų113136.2 Ų136.273%0.73481%0.806SS**  cis-145.7137.4-46.536.3-17.3000114.7
346S34.3Very low32.5Very low126 Ų126138 Ų13888%0.88181%0.81SS**  trans-159.6104.2162.738.90000116
347N27.9Very low32.7Very low156 Ų156140 Ų14083%0.83481%0.808SS**  trans-5.5129.4141.3-122.7-2.1000118.4
348I32.3Very low32.6Very low165 Ų165137.8 Ų137.885%0.84680%0.804SS**  -178.6160109.6-93.7160.8000111.6
349N29.7Very low32.7Very low142 Ų142141.3 Ų141.376%0.75980%0.803SS**  trans-100.5160.6-166.6-148.6-8.9000113.2
350M32.3Very low32.6Very low162 Ų162143.5 Ų143.580%0.79880%0.801SS**  trans156.8120.7147.1-86.8-168.7-76.200107.8
351S30.7Very low32.7Very low90 Ų90142 Ų14263%0.62980%0.799SS**  64.1139.360.782.70000112.9
352Q32.4Very low32.6Very low196 Ų196139.7 Ų139.792%0.91679%0.793SS**  cis-160.11678.3-147.3173.55.900108.7
353G34.5Very low32.9Very low78 Ų78142 Ų14280%0.80479%0.789SS**  trans159.585169.800000115.7
354Q33.5Very low32.7Very low187 Ų187142.5 Ų142.587%0.87479%0.794SS**  trans-103.9141.9163.9-67177.5-77.200109.8
355N33.8Very low32.9Very low151 Ų151141.6 Ų141.681%0.80780%0.798SS**  trans162.1144148.3-89.6-12.5000107.6
356T30.2Very low32.7Very low107 Ų107140.5 Ų140.566%0.65679%0.793SS**  cis166.9167.9-19.826.80000103.9
357Q34.9Very low32.8Very low177 Ų177142.3 Ų142.383%0.82779%0.793SS**  trans71.4122.8-178.8-60.9173.4-12.400112.3
358S28.7Very low33.1Very low103 Ų103141.9 Ų141.972%0.7279%0.79SS**  76.6138.450.882.40000112
359E34.4Very low33.3Very low177 Ų177143.7 Ų143.783%0.82779%0.792SS**  cis-139.1-170.322.2-69.6-178.991.700114.6
360N30.3Very low33.7Very low140 Ų140142 Ų14275%0.74979%0.792SS**  trans-57.2161.9176.6-42.4-74.4000114.9
361T35.4Very low33.9Very low129 Ų129143.4 Ų143.479%0.79180%0.796SS**  180159.4107.6-72.10000111.5
362N31.1Very low34.2Very low137 Ų137144.2 Ų144.273%0.73380%0.802SS**  trans-79.5-174.1-178.1-71.2-65.3000114.1
363H37.3Very low34.4Very low179 Ų179139.9 Ų139.983%0.82979%0.794SS**  trans75.3124.4172.9-39.1-77.8000113.8
364G30.1Very low34.5Very low76 Ų76143.9 Ų143.978%0.78479%0.792SS**  cis115.7111.22.300000111.6
365L39Very low34.7Very low182 Ų182144 Ų14495%0.95379%0.789SS**  trans-152.9145.1170.1-103.3175000110.6
366S33.3Very low34.6Very low91 Ų91141.5 Ų141.564%0.63678%0.78SS**  trans-97.1164.1-179.754.50000112.7
367N37.9Very low34.8Very low163 Ų163146.5 Ų146.587%0.87279%0.788SS**  trans-159.1138.6139.3-97.2-30.1000111.8
368N32.9Very low35Very low147 Ų147143.3 Ų143.379%0.78678%0.783SS**  trans-118.3136.2177.8-73.3-52.7000110.2
369F37.5Very low35.5Very low203 Ų203145.6 Ų145.689%0.8979%0.785SS**  trans-168.6139.9161-99-84.4000107.2
370S37.8Very low35.3Very low107 Ų107142.2 Ų142.275%0.74878%0.781SS**  cis-159.5177.8-20.3-109.30000110.2
371Q35.4Very low35.7Very low191 Ų191141.1 Ų141.189%0.89378%0.78SS**  trans-95.7149.5-168.7-59.6168.5-10.700115.6
372S37.7Very low35.8Very low107 Ų107140.3 Ų140.375%0.74878%0.775SS**  trans-168.9112.4149340000108
373S37.6Very low35.9Very low106 Ų106141.4 Ų141.474%0.74178%0.781SS**  62.3136.889720000114.5
374E36.6Very low35.9Very low162 Ų162137.9 Ų137.976%0.75778%0.782SS**  cis-177.6146.2-8.8171.3172.1-17800107.1
375F37.2Very low36.1Very low189 Ų189143 Ų14383%0.82979%0.786SS**  trans178.9146.5140.1-108.3-71.3000111.9
376T32Very low36Very low99 Ų99141.9 Ų141.961%0.60778%0.78SS**  trans-136.6144.4-167.2-66.50000110.2
377Y33.8Very low36.1Very low212 Ų212145.1 Ų145.183%0.83179%0.789SS**  trans-167.9122.1146.1-83.7-54000113.3
378P39.1Very low35.7Very low110 Ų110142 Ų14271%0.71478%0.78SS**  trans-132.7139.6159.937.1-23.6000114.2
379I38.3Very low36.1Very low150 Ų150140.3 Ų140.377%0.76978%0.777SS**  trans-148.3119.4173.8-47.7-179.7000104.8
380S31.7Very low36.1Very low106 Ų106138.2 Ų138.274%0.74177%0.77SS**  65.714467.6-46.50000112.2
381T38.4Very low36Very low118 Ų118141.1 Ų141.172%0.72477%0.772SS**  cis-152167.520.550.70000113.9
382T37.6Very low36.1Very low112 Ų112138.5 Ų138.569%0.68777%0.769SS**  trans58.6112142.851.20000123.7
383D31.9Very low35.8Very low160 Ų160137.4 Ų137.486%0.85677%0.767SS**  39.7124.8118.3-57.1-66.6000123.4
384A38.1Very low35.7Very low104 Ų104138 Ų13886%0.8677%0.771SS**  trans-155.6132.213500000111
385Q33.3Very low35.6Very low185 Ų185137.6 Ų137.686%0.86477%0.772SS**  trans-87.7151.2165.5-63.5-175.55.700110.3
386L37Very low35.9Very low158 Ų158134.3 Ų134.383%0.82777%0.77SS**  trans-165.1136.3131.6-13174.6000114.4
387L36.5Very low36.1Very low158 Ų158134.6 Ų134.683%0.82778%0.776SS**  trans52132.2155.4-100.370.4000123
388S30.3Very low36.5Very low97 Ų97133.6 Ų133.668%0.67878%0.778SS**  trans-118.5151.3156.7174.90000108.1
389P40.7Very low36.5Very low113 Ų113132.7 Ų132.773%0.73478%0.775SS**  -134.1142.8107.335-24.3000111.8
390Q37.4Very low36.9Very low159 Ų159132 Ų13274%0.74378%0.777SS**  cis83.8137.744.2-157-16613.800113.6
391Q36.3Very low37.3Very low168 Ų168131.9 Ų131.979%0.78577%0.774SS**  trans81142.2174.1-49.2-168.57.900115.7
392V36.1Very low37.2Very low135 Ų135131.4 Ų131.482%0.81878%0.775SS**  cis-145.2162.1-5.8106.60000111.1
393A31.7Very low37.1Very low85 Ų85135.7 Ų135.770%0.70279%0.785SS**  trans-94164.5-172.800000114.6
394S35.3Very low37.3Very low119 Ų119133.6 Ų133.683%0.83278%0.777SS**  trans-159.1124.8155.5-79.80000111.6
395I34.2Very low37.3Very low152 Ų152134.4 Ų134.478%0.77977%0.771SS**  trans-144.4129166.8-49.3175.3000106.8
396P43.9Very low37.3Very low121 Ų121131.9 Ų131.979%0.78676%0.764SS**  -129.1147.5126.435.2-27.2000111
397S36Very low37.3Very low104 Ų104129 Ų12973%0.72776%0.757SS**  cis90.16029.4-56.80000115.5
398E41.6Very low37.2Very low191 Ų191126.7 Ų126.789%0.89375%0.754SS**  trans-140.9166.3152.8-72.2-167132.800109.4
399S40.4Very low37.6Very low92 Ų92128.9 Ų128.964%0.64376%0.756SS**  177.4148.1-7754.70000109.9
400V46.2Very low37.5Very low135 Ų135128.6 Ų128.682%0.81876%0.755SS**  trans66.9157.6168-130.50000114.8
401P40.6Very low37.4Very low104 Ų104128 Ų12868%0.67576%0.755SS**  -128.7169.8-70.442.6-32.3000116.4
402S35.3Very low37.5Very low107 Ų107127.7 Ų127.775%0.74876%0.758SS**  trans29.1111.6138.7-54.20000121
403K36.7Very low37.6Very low202 Ų202131.6 Ų131.688%0.87876%0.758SS**  trans-139.596.6140.6-115.2179.4-175.8176.50111.5V405K403-V405 PolarHBondContact O-N 3Å
404V36.3Very low38.1Very low116 Ų116133.3 Ų133.370%0.70376%0.762SS**  trans-78.2109.9170.9176.40000108.6N406V404-N406 WeakPolarHBondContact CG1-OD1 3.27Å; V404-N406 PolarHBondContact O-N 3.39Å
405V37.8Very low38.1Very low121 Ų121136.8 Ų136.873%0.73376%0.762SS**  trans-95.985.5173.3-177.50000109.1K403 S407K403-V405 PolarHBondContact O-N 3Å; V405-S407 VanDerWaalsContact C-N 3.31Å; V405-S407 PolarHBondContact O-N 3.07Å
406N33.4Very low38.3Very low133 Ų133137.1 Ų137.171%0.71177%0.765SS**  trans-75.782.7169.5-76.6-16.4000109.8V404 S408V404-N406 WeakPolarHBondContact CG1-OD1 3.27Å; V404-N406 PolarHBondContact O-N 3.39Å; N406-S408 PolarHBondContact O-N 2.81Å
407S36.2Very low38Very low98 Ų98138.1 Ų138.169%0.68576%0.763SS**  trans-76.372.5171.4620000110.8V405 I409V405-S407 VanDerWaalsContact C-N 3.31Å; V405-S407 PolarHBondContact O-N 3.07Å; S407-I409 VanDerWaalsContact C-N 3.32Å; S407-I409 PolarHBondContact O-N 3.02Å
408S35.3Very low38.1Very low108 Ų108138.4 Ų138.476%0.75577%0.766SS**  trans-6882.9177.2-63.60000111.7N406N406-S408 PolarHBondContact O-N 2.81Å
409I39.3Very low37.8Very low143 Ų143134 Ų13473%0.73376%0.756SS**  trans-68.3125167.7-62.3179.5000108.1S407 I411S407-I409 VanDerWaalsContact C-N 3.32Å; S407-I409 PolarHBondContact O-N 3.02Å; I409-I411 PolarHBondContact O-N 2.83Å; I409-I411 VanDerWaalsContact O-N 3.1Å
410P38.3Very low37.7Very low108 Ų108136.9 Ų136.970%0.70176%0.764SS**  trans-69.8110.1-176.527-33.9000111L412P410-L412 PolarHBondContact O-N 2.89Å
411I35.5Very low37.3Very low145 Ų145136 Ų13674%0.74476%0.762SS**  trans-69.594.7168.8-57.9177.1000108.2I409 R413I409-I411 PolarHBondContact O-N 2.83Å; I409-I411 VanDerWaalsContact O-N 3.1Å; I411-R413 HydrophobicContact CG2-CG 4.09Å; I411-R413 PolarHBondContact O-N 3.12Å
412L38.4Very low37.1Very low163 Ų163138.6 Ų138.685%0.85377%0.769SS**  trans-61101.7166.2-75.2170.4000108.9P410 P414P410-L412 PolarHBondContact O-N 2.89Å; L412-P414 WeakPolarHBondContact O-CD 3.5Å
413R37Very low37.2Very low216 Ų216139.5 Ų139.582%0.81577%0.769SS**  trans-90.7111.2171.2-70.2179.9174.6166.8-2.6109.8I411 K415I411-R413 HydrophobicContact CG2-CG 4.09Å; I411-R413 PolarHBondContact O-N 3.12Å; R413-K415 PolarHBondContact O-N 2.97Å; R413-K415 VanDerWaalsContact O-N 3.15Å
414P43.5Very low37.2Very low122 Ų122136 Ų13679%0.79277%0.769SS**  trans-71107162.3-9.326.9000108L412 L416L412-P414 WeakPolarHBondContact O-CD 3.5Å; P414-L416 PolarHBondContact O-N 3.42Å
415K35.3Very low37.3Very low191 Ų191137.5 Ų137.583%0.8377%0.772SS**  trans-8893.6177.3-157.9-176.2-171.1-1750108.4R413R413-K415 PolarHBondContact O-N 2.97Å; R413-K415 VanDerWaalsContact O-N 3.15Å
416L38.4Very low37.4Very low160 Ų160135.4 Ų135.484%0.83877%0.767SS**  trans-13298.9178.3-108.8158.1000110.6P414P414-L416 PolarHBondContact O-N 3.42Å
417N36.5Very low38.1Very low141 Ų141135.2 Ų135.275%0.75477%0.773SS**  trans-87172.9171.6-680.1000110.1
418S38.8Very low38.6Very low111 Ų111141.2 Ų141.278%0.77678%0.781SS**  trans84.286.5167.4-144.80000117.2
419S35.7Very low39.1Very low98 Ų98142 Ų14269%0.68578%0.783SS**  trans26.9116.4138.357.80000120.6
420N38Very low39.3Very low152 Ų152143 Ų14381%0.81379%0.79SS**  -157.9141.1128.6-100.9-41.3000111.2L422N420-L422 PolarHBondContact O-N 2.63Å
421P37Very low39.4Very low118 Ų118149.1 Ų149.177%0.76680%0.799SS**  trans-88.392.4-178.134.1-32.5000111.5
422L36.3Very low39.5Very low158 Ų158150.8 Ų150.883%0.82781%0.808SS**  trans-84.1124.9173.7-70.6179000111.7N420 C424N420-L422 PolarHBondContact O-N 2.63Å; L422-C424 PolarHBondContact O-N 3.46Å
423V37.3Very low39.6Very low125 Ų125150 Ų15076%0.75880%0.803SS**  trans-74.7108.4-178.3178.50000110.1I425V423-I425 HydrophobicContact CG1-CG1 4.16Å; V423-I425 PolarHBondContact O-N 3.5Å
424C37.2Very low39.2Very low129 Ų129147.6 Ų147.687%0.87280%0.801SS**  trans-72.888.5172.3-61.90000110.8L422 A426L422-C424 PolarHBondContact O-N 3.46Å; C424-A426 PolarHBondContact O-N 2.92Å
425I38.5Very low38.9Very low148 Ų148149.1 Ų149.176%0.75980%0.801SS**PPolyproline II helixtrans-66.2119170.4-59176.9000108.4V423V423-I425 HydrophobicContact CG1-CG1 4.16Å; V423-I425 PolarHBondContact O-N 3.5Å
426A40.2Very low38.8Very low77 Ų77145.8 Ų145.864%0.63679%0.793SS**PPolyproline II helixtrans-62.8140.1178.700000111.4C424 R428C424-A426 PolarHBondContact O-N 2.92Å; A426-R428 PolarHBondContact O-N 3.44Å
427P47.7Very low38.6Very low129 Ų129143.3 Ų143.384%0.83879%0.789SS**PPolyproline II helixtrans-57.4124.3174.7-23.833.8000111
428R46.8Very low38.5Very low224 Ų224141.6 Ų141.685%0.84578%0.783SS**PPolyproline II helixtrans-69.3138.7172.1-71.6179.7174.2166.4-1.8109A426 N430A426-R428 PolarHBondContact O-N 3.44Å; R428-N430 PolarHBondContact O-N 3.22Å
429P46.2Very low38.3Very low124 Ų124142.5 Ų142.581%0.80578%0.78SS**PPolyproline II helixtrans-63127.917326.8-33.5000109.4R431P429-R431 PolarHBondContact O-N 2.91Å
430N43.2Very low38.3Very low163 Ų163143.8 Ų143.887%0.87278%0.779SS**PPolyproline II helixtrans-61.4132.9177.7-87.3-24.6000110.3R428 L432R428-N430 PolarHBondContact O-N 3.22Å; N430-L432 PolarHBondContact O-N 3.28Å
431R41.1Very low38.1Very low237 Ų237142.7 Ų142.789%0.89477%0.773SS**PPolyproline II helixtrans-67.5128.3169.3-76-176.3169.7-168.9-3.4108.7P429 I433P429-R431 PolarHBondContact O-N 2.91Å; R431-I433 PolarHBondContact O-N 3.01Å
432L36.6Very low38Very low181 Ų181144.6 Ų144.695%0.94878%0.775SS**PPolyproline II helixtrans-57.7118.8165.4-77.8156.4000109N430N430-L432 PolarHBondContact O-N 3.28Å
433I39.8Very low37.6Very low146 Ų146142.2 Ų142.275%0.74977%0.771SS**PPolyproline II helixtrans-97.1125.2162.8-64.1179.1000106.4R431 I435R431-I433 PolarHBondContact O-N 3.01Å; I433-I435 HydrophobicContact CG2-CG1 4.37Å
434Q29.4Very low37.4Very low165 Ų165143.9 Ų143.977%0.77177%0.77SS**PPolyproline II helixtrans-83.4121.3-178.1-178.1178.24.800109.9
435I37.7Very low37.1Very low154 Ų154143.9 Ų143.979%0.7976%0.761SS**  trans-136.8122.6167.8-18.8177.8000107.6I433I433-I435 HydrophobicContact CG2-CG1 4.37Å
436N33.5Very low37Very low122 Ų122142.8 Ų142.865%0.65276%0.762SS**  trans-93.8150.6-178.9-69.7-8.8000110.7
437S32.7Very low36.9Very low108 Ų108145 Ų14576%0.75577%0.767SS**  trans68.1145.6148.8-95.50000119.2
438T34.2Very low36.3Very low104 Ų104144.8 Ų144.864%0.63876%0.763SS**  cis-162.3156.8-22.91.60000109.2
439N34.4Very low35.9Very low131 Ų131139.8 Ų139.870%0.70176%0.763SS**  trans70.6124.4149.2-64.4-2.7000120.7
440N35.9Very low35.5Very low124 Ų124142.3 Ų142.366%0.66376%0.764SS**  trans84.5105.1132.5-64.510.1000120.7
441N35.5Very low35.3Very low130 Ų130139.4 Ų139.470%0.69575%0.754SS**  103.8119.3115.2-72.74.5000120.2
442I33.9Very low35.2Very low157 Ų157133.8 Ų133.881%0.80575%0.746SS**  trans83.5134.8137.3-66.2167.4000116.8
443C28.3Very low35.1Very low109 Ų109131.8 Ų131.874%0.73673%0.734SS**  trans-63.1162.7174.7-47.40000110.2
444E33.5Very low34.8Very low159 Ų159131.2 Ų131.274%0.74373%0.733SS**  -164.2160.750.8-76.5-167.3177.100113
445N30.3Very low35.1Very low130 Ų130128 Ų12870%0.69573%0.729SS**  trans49.6134.5135.2-62-30000123.4
446T35.5Very low35.2Very low124 Ų124125.3 Ų125.376%0.76172%0.723SS**  trans90.197.7141.4-55.80000120.5
447V37.9Very low35.4Very low123 Ų123128 Ų12875%0.74573%0.732SS**  45.596.8124.1-172.50000118.4
448T36.6Very low35.9Very low125 Ų125127 Ų12777%0.76773%0.725SS**  trans32.9138.4136.534.80000123.1
449S38.7Very low36.1Very low119 Ų119128.8 Ų128.883%0.83273%0.731SS**  trans107.386.7150-57.30000118.5
450Q37.3Very low36Very low177 Ų177129.4 Ų129.483%0.82773%0.729SS**  trans-33.8170.4147.7-67.3-86.125.500116.4
451P39.2Very low36.1Very low102 Ų102131.6 Ų131.666%0.66274%0.739SS**  cis-135.8-178.9-19.327.1-4.4000114.2
452V37.4Very low35.9Very low119 Ų119133.9 Ų133.972%0.72174%0.74SS**  159.1105.9122.6162.30000114.8
453I34.6Very low36.1Very low139 Ų139134.7 Ų134.771%0.71375%0.745SS**  trans42.5138.9136-30.9174.5000123.2
454N35Very low36.1Very low135 Ų135133.9 Ų133.972%0.72274%0.74SS**  trans102.7107.5161.4-57.5-51000114.6
455S34.1Very low36.3Very low98 Ų98132.1 Ų132.169%0.68574%0.742SS**  70130.361.3780000113.3
456S40.5Very low36.6Very low96 Ų96131.8 Ų131.867%0.67175%0.75SS**  cis-135.5-150.322-57.90000111.8
457E39.1Very low36.3Very low180 Ų180136.8 Ų136.884%0.84176%0.757SS**  cis-153.6-101.98.5-163.2112.7-7800115.9
458S41.4Very low36.3Very low87 Ų87136.6 Ų136.661%0.60876%0.761SS**  trans-132.1164-157.565.90000111.9
459N38.5Very low36.1Very low140 Ų140137.8 Ų137.875%0.74976%0.761SS**  cis-133.41471.8-64.1-88.8000107.7
460Q33.4Very low35.9Very low144 Ų144139.6 Ų139.667%0.67376%0.756SS**  cis67.588.748-76.3-74.732.800116.7
461I38.5Very low35.9Very low170 Ų170138.4 Ų138.487%0.87275%0.75SS**  trans-136.5121.1134.3-62.3-172.9000108.2
462Y30Very low35.6Very low179 Ų179141.6 Ų141.670%0.70276%0.756SS**  trans-92.8156.6171.2-120.7-106.8000110
463L37.6Very low35.4Very low174 Ų174141.8 Ų141.891%0.91176%0.758SS**  trans-167.2140.5134.5-105161.8000113.4
464S29.3Very low35.6Very low91 Ų91140.3 Ų140.364%0.63676%0.758SS**  trans-82.8170.7-159.5-55.70000115.9
465P38.3Very low35.5Very low122 Ų122139.5 Ų139.579%0.79276%0.757SS**  trans-93.1170.5-172.337.6-36.2000114.8
466S35.9Very low35.3Very low123 Ų123141.4 Ų141.486%0.8676%0.76SS**  trans-149146.6174.3-66.20000112.3
467Y29.5Very low34.9Very low229 Ų229143.3 Ų143.390%0.89876%0.762SS**  trans-109.6155.9173.7-78.1-96.7000111.1
468S38.3Very low34.5Very low120 Ų120141.4 Ų141.484%0.83976%0.756SS**  trans-150.1160.6152.661.10000111.5
469I31.1Very low34.1Very low149 Ų149147.9 Ų147.976%0.76477%0.767SS**  trans-138.9167.9-172.9-56.6174.8000107.5
470Q36Very low33.9Very low158 Ų158146.1 Ų146.174%0.73876%0.763SS**  trans86.3144.7171.2-54.1-174.1-58.900115.5
471H36.1Very low34.3Very low151 Ų151145 Ų14570%0.69977%0.771SS**  cis-159.3172-10.1-115.3-38000112.6
472Q34.1Very low34.1Very low169 Ų169143.9 Ų143.979%0.7977%0.767SS**  trans69.793.2155.9-76.4174.9-1.500122.6
473T32.7Very low34.6Very low124 Ų124141.2 Ų141.276%0.76178%0.775SS**  9.2159.111356.20000121.2
474P38Very low34.6Very low108 Ų108138.8 Ų138.870%0.70177%0.767SS**  cis-142.1-178.31527.3-1.1000118.6
475V32.9Very low35Very low118 Ų118140.9 Ų140.972%0.71578%0.776SS**  trans68.5132.2151.6-76.70000124.4
476N30.7Very low35.1Very low138 Ų138140.4 Ų140.474%0.73877%0.77SS**  trans75.3140.8141.9-70.5-10.2000119.4
477L31.1Very low35.6Very low135 Ų135141.1 Ų141.171%0.70776%0.763SS**  cis-163.4141-5.2-172.365.1000112.6
478I30.5Very low36.2Very low140 Ų140137 Ų13772%0.71876%0.756SS**  trans40.9121.9155.9-62.7166.3000120.6
479R33.9Very low36.6Very low224 Ų224138.9 Ų138.985%0.84576%0.757SS**  -175.9134.1110.1176.9165.1-82177.8-4.9112
480P34.3Very low37.2Very low103 Ų103140.3 Ų140.367%0.66976%0.758SS**  trans-85.5153.9171.634.5-34.8000112.6
481S40.9Very low37.4Very low119 Ų119138.9 Ų138.983%0.83276%0.762SS**  trans-110.7131173-62.80000110.3
482N35.8Very low37.6Very low148 Ų148136.8 Ų136.879%0.79176%0.76SS**PPolyproline II helixtrans-90.5119.9-174.9-56.3-28.9000111
483S40.3Very low37.9Very low123 Ų123134.9 Ų134.986%0.8676%0.759SS**PPolyproline II helixtrans-85.3120.2172.1-65.20000111.1
484T37.3Very low38.3Very low123 Ų123138 Ų13876%0.75576%0.763SS**PPolyproline II helixtrans-94133.6176.6-59.30000110.2
485V38.3Very low38.3Very low135 Ų135136.7 Ų136.782%0.81876%0.761SS**PPolyproline II helixtrans-97.3137.8168.2178.90000108.7
486V40.1Very low38.6Very low112 Ų112136.4 Ų136.468%0.67976%0.764SS**  trans-109.5133.2-173.61780000110.7
487I44.8Very low39Very low138 Ų138137.1 Ų137.171%0.70877%0.768SS**  trans-138.1142.9165.8-56.7-179000107.1N489I487-N489 PolarHBondContact O-N 3.32Å
488D43.9Very low39.1Very low141 Ų141136 Ų13675%0.75477%0.769SS**THydrogen-bonded Turntrans55.147.3170.5-62.9-11.6000119K490D488-K490 PolarHBondContact O-N 3.08Å
489N45Very low39.4Very low160 Ų160135.5 Ų135.586%0.85677%0.773SS**THydrogen-bonded Turntrans51.922.9149.7-72.8-11.9000118.6I487I487-N489 PolarHBondContact O-N 3.32Å
490K45.5Very low39.5Very low180 Ų180132.1 Ų132.178%0.78377%0.77SS**  trans-132.2115.9174.6-70.3-170.4178.1-179.80112D488 V492D488-K490 PolarHBondContact O-N 3.08Å; K490-V492 PolarHBondContact O-N 3.25Å
491P38.6Very low39.3Very low127 Ų127134.6 Ų134.683%0.82578%0.776SS**  trans-74.8119.9177.329.8-32.9000110.6
492V41.7Very low39.1Very low107 Ų107136 Ų13665%0.64878%0.78SS**  trans-115.2103.5172.3-177.10000109K490 F494K490-V492 PolarHBondContact O-N 3.25Å; V492-F494 HydrophobicContact CG1-CD2 4.04Å; V492-F494 HydrophobicContact CG1-CE2 3.56Å; V492-F494 HydrophobicContact CG1-CZ 4.09Å
493V40.4Very low39.1Very low129 Ų129134.2 Ų134.278%0.78278%0.779SS**  trans-89.9112.3179.5179.20000109.7
494F39.5Very low39.1Very low190 Ų190133.6 Ų133.683%0.83377%0.773SS**  trans-92.395.8167.4-77.9-75.3000110.3V492V492-F494 HydrophobicContact CG1-CD2 4.04Å; V492-F494 HydrophobicContact CG1-CE2 3.56Å; V492-F494 HydrophobicContact CG1-CZ 4.09Å
495A38.6Very low39.2Very low81 Ų81136.5 Ų136.567%0.66978%0.777SS**  trans-78.7122.4172.900000110.9
496S38.7Very low39.2Very low112 Ų112136.5 Ų136.578%0.78378%0.777SS**  trans-100.2107.4173.355.30000110.6P498S496-P498 WeakPolarHBondContact O-CD 3.19Å
497N39.2Very low39.2Very low153 Ų153139.2 Ų139.282%0.81878%0.783SS**  trans-90.3125.5178.1-74.4-11.7000111.9
498P33.7Very low39.1Very low112 Ų112137 Ų13773%0.72778%0.78SS**  trans-104.7125.416835.2-26.8000112.1S496S496-P498 WeakPolarHBondContact O-CD 3.19Å
499T37.7Very low38.9Very low129 Ų129137.2 Ų137.279%0.79178%0.776SS**  trans-153.8101.3168.5-48.60000106.4
500I35.6Very low38.5Very low152 Ų152139.7 Ų139.778%0.77977%0.774SS**  73.5133.374.7-63.1178.7000112.9
501L30.4Very low38.5Very low155 Ų155135.6 Ų135.681%0.81277%0.766SS**  trans-53.7153.3-166.5-75.859.6000116.2
502T37.1Very low38.6Very low148 Ų148136.7 Ų136.791%0.90876%0.76SS**  -157.1157.8113.121.10000110.7
503S35.5Very low38.4Very low111 Ų111138.7 Ų138.778%0.77677%0.766SS**  trans-149.2163.4170.665.60000108.9
504P40.4Very low38.3Very low111 Ų111137.5 Ų137.572%0.72176%0.759SS**  -153.7159.610838-20.3000117.8
505Q37.8Very low38.4Very low183 Ų183137 Ų13786%0.85576%0.759SS**  trans49.3135.2142.6-69.2-174.7-42.700124.2
506V39.2Very low38.5Very low135 Ų135142.6 Ų142.682%0.81876%0.763SS**  165.6139.9115.3152.10000107.8
507Q40Very low38.3Very low169 Ų169146 Ų14679%0.7976%0.764SS**  cis-169167.9-21.1-177.7173.79.100107.8
508S42.2Very low38.3Very low93 Ų93144.4 Ų144.465%0.6576%0.764SS**  trans73.3166173.3-78.50000116.8
509Q39.7Very low38.2Very low145 Ų145145.3 Ų145.368%0.67877%0.768SS**  cis-171.9158.3-35.6-100.4-164.595.800106
510R37.2Very low38.3Very low211 Ų211147 Ų14780%0.79677%0.77SS**  cis-147.6-167.6-8.4-129.4-163.9170.4145.6-7.9107.8
511P44.8Very low38.4Very low95 Ų95143.9 Ų143.962%0.61777%0.767SS**  trans-137.9-153.8-138.942.4-17.9000116.3
512Q41Very low38.7Very low150 Ų150142.7 Ų142.770%0.70177%0.769SS**  trans94141.6171-47.5-60.411.900115.7
513L38.1Very low38.7Very low149 Ų149144.5 Ų144.578%0.7876%0.764SS**  cis-143.8123.15.4-159.8133.9000115.5
514V38.5Very low38.7Very low104 Ų104144.8 Ų144.863%0.6376%0.763SS**  trans2.6125.6153.7-167.90000122.1
515Q41.4Very low38.5Very low179 Ų179145.3 Ų145.384%0.83676%0.764SS**  168.3148.5125.2-93-179.818.900110.6
516R39.7Very low38.3Very low198 Ų198143 Ų14375%0.74776%0.763SS**  cis-169.7109.7-28.9-126.2-164.5178.7-168.10.3109.4
517F35.9Very low37.8Very low184 Ų184144.8 Ų144.881%0.80776%0.762SS**  trans57.4150.7165.5-48.4-69.7000118.4
518S37.7Very low37.3Very low119 Ų119141.2 Ų141.283%0.83276%0.755SS**  cis-140.5165.321.9-71.10000114.9
519V32.8Very low36.7Very low132 Ų132141.5 Ų141.580%0.876%0.757SS**  trans-55134.7-175.3-171.60000116.3
520I38.3Very low36.3Very low165 Ų165139.6 Ų139.685%0.84676%0.755SS**  -174.8144.1122.3-92.8159.3000109.7
521A38Very low35.9Very low86 Ų86136.3 Ų136.371%0.71175%0.754SS**  trans-92.7158-17100000113.8
522P36.7Very low35.1Very low130 Ų130137.9 Ų137.984%0.84475%0.753SS**  trans-90.6159.9-163.635.8-36.9000115.2
523K37Very low34.7Very low186 Ų186135 Ų13581%0.80975%0.746SS**  trans-107.5133.1165.4-171.3175.1-176.8177.20109.3T525K523-T525 PolarHBondContact O-N 2.93Å
524P35.7Very low34.5Very low116 Ų116135 Ų13575%0.75374%0.736SS**  trans-77.196.5-176.630.1-34.4000111.4V526P524-V526 PolarHBondContact O-N 2.87Å
525T36Very low34.7Very low122 Ų122131.6 Ų131.675%0.74872%0.716SS**  trans-76.6100.6167.7-48.60000108.7K523 Q527K523-T525 PolarHBondContact O-N 2.93Å; T525-Q527 PolarHBondContact O-N 2.91Å
526V34.3Very low35Very low135 Ų135129.6 Ų129.682%0.81871%0.707SS**  trans-71.784.4171.7-179.10000108.7P524 S528P524-V526 PolarHBondContact O-N 2.87Å; V526-S528 VanDerWaalsContact C-N 3.31Å; V526-S528 PolarHBondContact O-N 2.88Å
527Q28.2Very low35.5Very low173 Ų173121.2 Ų121.281%0.80868%0.677SS**  trans-78.681.3-179.6-169.4171.46.100109.6T525 S529T525-Q527 PolarHBondContact O-N 2.91Å; Q527-S529 PolarHBondContact O-N 3.31Å; Q527-S529 VanDerWaalsContact O-N 3.07Å
528S29.4Very low36.1Very low93 Ų93118.5 Ų118.565%0.6567%0.67SS**  trans-58.3110.8171.9-175.40000109.8V526 V530V526-S528 VanDerWaalsContact C-N 3.31Å; V526-S528 PolarHBondContact O-N 2.88Å; S528-V530 VanDerWaalsContact C-N 3.31Å; S528-V530 WeakPolarHBondContact O-CG2 3.42Å; S528-V530 PolarHBondContact O-N 2.6Å
529S31.3Very low36.4Very low99 Ų99117.2 Ų117.269%0.69266%0.659SS**  trans-77.181.4176.642.50000110.1Q527 N531Q527-S529 PolarHBondContact O-N 3.31Å; Q527-S529 VanDerWaalsContact O-N 3.07Å; S529-N531 PolarHBondContact O-N 2.85Å
530V30.1Very low37.2Very low105 Ų105121.1 Ų121.164%0.63666%0.659SS**  trans-67.390.7179.6-159.80000110.1S528 Q532S528-V530 VanDerWaalsContact C-N 3.31Å; S528-V530 WeakPolarHBondContact O-CG2 3.42Å; S528-V530 PolarHBondContact O-N 2.6Å; V530-Q532 PolarHBondContact O-N 3.42Å
531N28.4Very low37.1Very low142 Ų142118.9 Ų118.976%0.75966%0.655SS**  trans-65.6105.5177.5-85.6-51.3000110.4S529 T533S529-N531 PolarHBondContact O-N 2.85Å; N531-T533 PolarHBondContact O-N 3.39Å
532Q27.7Very low37.2Very low128 Ų128121 Ų12160%0.59866%0.66SS**  trans-75.590.3-177.8-62.2-179.53.300111V530 Y534V530-Q532 PolarHBondContact O-N 3.42Å; Q532-Y534 HydrophobicContact CB-CD2 4.11Å; Q532-Y534 HydrophobicContact CB-CE2 3.61Å; Q532-Y534 WeakPolarHBondContact O-CD2 3.48Å; Q532-Y534 PolarHBondContact O-N 3.48Å; Q532-Y534 PolarHBondContact OE1-OH 3.47Å
533T34Very low37.2Very low91 Ų91119.4 Ų119.456%0.55865%0.647SS**  trans-77.985.9175.1-53.50000111.2N531 V535N531-T533 PolarHBondContact O-N 3.39Å; T533-V535 HydrophobicContact CG2-CG2 4.18Å; T533-V535 PolarHBondContact O-N 2.59Å
534Y33.9Very low37.3Very low147 Ų147116.2 Ų116.258%0.57664%0.643SS**  trans-68.7107.5170.8-69.1-86.4000110.8Q532 Q536 N729Q532-Y534 HydrophobicContact CB-CD2 4.11Å; Q532-Y534 HydrophobicContact CB-CE2 3.61Å; Q532-Y534 WeakPolarHBondContact O-CD2 3.48Å; Q532-Y534 PolarHBondContact O-N 3.48Å; Q532-Y534 PolarHBondContact OE1-OH 3.47Å; Y534-Q536 PolarHBondContact O-N 3.41Å; Y534-N729 PolarHBondContact O-ND2 3.2Å
535V42.6Very low37.5Very low34 Ų34116.2 Ų116.221%0.20664%0.641CS.*  trans-91.9101.1175.3-171.80000109.7T533 I537 M734T533-V535 HydrophobicContact CG2-CG2 4.18Å; T533-V535 PolarHBondContact O-N 2.59Å; V535-I537 HydrophobicContact CG1-CD1 4.49Å; V535-I537 HydrophobicContact CG1-CG1 3.91Å; V535-I537 PolarHBondContact O-N 3.33Å; V535-M734 HydrophobicContact CG2-CE 4.11Å
536Q47.7Very low37.5Very low136 Ų136116.3 Ų116.364%0.63664%0.641SS**  trans-80.9102.3174.1-177.1165.4-16.800110.2Y534 L538 Q728Y534-Q536 PolarHBondContact O-N 3.41Å; Q536-L538 PolarHBondContact O-N 3.22Å; Q536-Q728 VanDerWaalsContact O-CD 3.25Å; Q536-Q728 PolarHBondContact O-NE2 3.45Å
537I49.8Very low37.6Very low23 Ų23118.9 Ų118.912%0.11865%0.645CS.*  trans-89.9103.8-179.2-49.2-176.7000109.3V535 V725 L736 Y757V535-I537 HydrophobicContact CG1-CD1 4.49Å; V535-I537 HydrophobicContact CG1-CG1 3.91Å; V535-I537 PolarHBondContact O-N 3.33Å; I537-V725 HydrophobicContact CB-CG1 4.5Å; I537-V725 HydrophobicContact CD1-CG1 4.23Å; I537-V725 HydrophobicContact CG1-CG1 4Å; I537-V725 HydrophobicContact CG2-CG1 4Å; I537-L736 HydrophobicContact CD1-CD1 3.77Å; I537-Y757 HydrophobicContact CD1-CD1 3.52Å; I537-Y757 HydrophobicContact CD1-CD2 3.96Å; I537-Y757 HydrophobicContact CD1-CE1 3.99Å; I537-Y757 HydrophobicContact CD1-CE2 4.38Å; I537-Y757 HydrophobicContact CD1-CG 3.51Å; I537-Y757 HydrophobicContact CG2-CE1 4.26Å
538L48.5Very low38Very low127 Ų127115.2 Ų115.267%0.66564%0.643SS**PPolyproline II helixtrans-84.6131.3168.6-165.973.9000108.7Q536 R540Q536-L538 PolarHBondContact O-N 3.22Å; L538-R540 PolarHBondContact O-N 3.4Å
539P44.8Very low38.5Very low92 Ų92115.4 Ų115.460%0.59765%0.651SS**PPolyproline II helixtrans-63127.6176.925.7-33.5000110.3
540R48Very low38.7Very low214 Ų214121.3 Ų121.381%0.80866%0.658SS**PPolyproline II helixtrans-68136.4171.8-167.5176.7-175.3-168.3-2.7108.6L538 T542L538-R540 PolarHBondContact O-N 3.4Å; R540-T542 PolarHBondContact O-N 3.21Å
541P36.9Very low39.5Very low117 Ų117121.4 Ų121.476%0.7666%0.66SS**PPolyproline II helixtrans-64127.2177.525.8-34.1000110.4
542T39.5Very low40.2Very low132 Ų132120.4 Ų120.481%0.8166%0.662SS**PPolyproline II helixtrans-75.8123.9171.5-48.80000109.1R540 T544R540-T542 PolarHBondContact O-N 3.21Å; T542-T544 PolarHBondContact O-N 2.86Å
543V38.5Very low40.5Very low95 Ų95121 Ų12158%0.57667%0.669SS**  trans-79.7111.1172.8179.70000108.5T545V543-T545 VanDerWaalsContact C-N 3.33Å; V543-T545 PolarHBondContact O-N 2.97Å
544T37.6Very low40.7Very low120 Ų120125 Ų12574%0.73669%0.686SS**  trans-73.187.1174.6-55.50000110T542 V546T542-T544 PolarHBondContact O-N 2.86Å; T544-V546 PolarHBondContact O-N 3.5Å
545T40.5Very low40.7Very low116 Ų116124.1 Ų124.171%0.71270%0.696SS**  trans-65.8102.9171.5-60.80000109.7V543 Q547V543-T545 VanDerWaalsContact C-N 3.33Å; V543-T545 PolarHBondContact O-N 2.97Å; T545-Q547 PolarHBondContact O-N 3.35Å
546V36.9Very low40.3Very low123 Ų123128.5 Ų128.575%0.74572%0.723SS**  trans-67116.8172.7-177.90000108.4T544 A548T544-V546 PolarHBondContact O-N 3.5Å; V546-A548 PolarHBondContact O-N 3.13Å
547Q35.3Very low39.9Very low190 Ų190128.9 Ų128.989%0.88873%0.728SS**  trans-68.398.7173.7-75.6-175.6-2400109.9T545T545-Q547 PolarHBondContact O-N 3.35Å
548A36.3Very low39Very low95 Ų95139.1 Ų139.179%0.78577%0.765SS**PPolyproline II helixtrans-63.1134167.400000109.7V546 R550V546-A548 PolarHBondContact O-N 3.13Å; A548-R550 PolarHBondContact O-N 3.29Å
549A39.7Very low38.8Very low97 Ų97139 Ų13980%0.80277%0.772SS**PPolyproline II helixtrans-64.3132.1-17600000111.7P551A549-P551 WeakPolarHBondContact O-CD 3.44Å
550R35.3Very low38.3Very low224 Ų224142.1 Ų142.185%0.84578%0.783SS**PPolyproline II helixtrans-71.3117.4175.8172.3179.2172.9-179.3-2110.2A548A548-R550 PolarHBondContact O-N 3.29Å
551P48.5Very low37.8Very low106 Ų106138.4 Ų138.469%0.68878%0.779SS**PPolyproline II helixtrans-69.7153.2169.330.1-34.2000111A549A549-P551 WeakPolarHBondContact O-CD 3.44Å
552P41.9Very low37.7Very low122 Ų122140.6 Ų140.679%0.79278%0.779SS**PPolyproline II helixtrans-75.4172.1179.732.1-35.9000113.1
553N34.7Very low37.6Very low140 Ų140139.4 Ų139.475%0.74978%0.776SS**PPolyproline II helixtrans-47.7134-171.4-63.7-46000115.7
554L37.4Very low37.5Very low176 Ų176144.4 Ų144.492%0.92179%0.79SS**  trans-125.2102.2148-81.1175.1000109.7
555T34.2Very low37.5Very low128 Ų128145.6 Ų145.679%0.78579%0.79SS**  trans-73.5127.8160.5-56.90000108.4
556V35.2Very low37.1Very low125 Ų125147.6 Ų147.676%0.75879%0.791SS**  trans-172.4128.2149.6130.60000112.9
557I38.1Very low37.4Very low144 Ų144146.6 Ų146.674%0.73879%0.785SS**  trans52.3120.4150.5-57.2172.8000120.3
558R32.1Very low37.8Very low238 Ų238144 Ų14490%0.89878%0.777SS**  trans-82.6137.6151.7-79.1-176.8173.8-176-1.7110.5
559P44.2Very low38Very low126 Ų126144.3 Ų144.382%0.81877%0.774SS**  trans-81.3144.8156.1-2.520.9000111
560L33.5Very low38.3Very low157 Ų157145.1 Ų145.182%0.82277%0.771SS**  trans-132.5118.2167178.574.7000109.1
561N37Very low38.4Very low135 Ų135140.9 Ų140.972%0.72277%0.765SS**  trans-155.5116.8156.1-94.1-36000106.9
562Q34.7Very low38Very low164 Ų164143.1 Ų143.177%0.76677%0.77SS**  69.3110.876.7-73-16482.900113.8
563S38Very low37.8Very low107 Ų107142.7 Ų142.775%0.74877%0.766SS**  -178.514410454.80000112.8
564K36.6Very low37.9Very low199 Ų199142.1 Ų142.187%0.86577%0.768SS**  trans58.7140.3151.9-86.6178.9174.3178.50118.8
565I37.3Very low38.1Very low145 Ų145141.2 Ų141.274%0.74476%0.759SS**  cis-143.71420.4-38173.4000105
566H33.3Very low38.2Very low159 Ų159141 Ų14174%0.73675%0.752SS**  174.7143.278.7-144.239.9000106.8
567V41.4Very low38.4Very low101 Ų101140.2 Ų140.261%0.61275%0.748SS**  41.9114.384.4-167.50000112.7
568D43.7Very low38.5Very low135 Ų135138.6 Ų138.672%0.72275%0.745SS**  cis-161.2177.5-6.2-123.3-57.5000108.6
569S41.7Very low38.6Very low103 Ų103131.5 Ų131.572%0.7273%0.732SS**  cis-159.5174.62.6-134.90000110.4
570P46.2Very low38.4Very low114 Ų114133.2 Ų133.274%0.7473%0.729SS**  trans-125.1179.5-162.742.5-30.5000117.9
571N37Very low38.5Very low134 Ų134133.6 Ų133.672%0.71773%0.726SS**  146.9172.4123.5-155.18.6000116
572L40.1Very low38.4Very low153 Ų153133.4 Ų133.480%0.80173%0.73SS**  trans89.885-174.7-73.178.8000115
573T36.5Very low38.4Very low113 Ų113129.5 Ų129.569%0.69373%0.726SS**  45.9127.674.747.20000116.3
574T38.7Very low38.2Very low129 Ų129131 Ų13179%0.79173%0.73SS**  -162.2158.277.4-64.40000114.8
575Q41.5Very low38.1Very low157 Ų157126.4 Ų126.473%0.73472%0.723SS**  trans-50177.3177.7-56163.8-4.800116.8
576N35.9Very low38Very low122 Ų122127.4 Ų127.465%0.65273%0.73SS**  cis-164.4154.932.5-130.8-11.5000116.7
577T39.9Very low38Very low109 Ų109124 Ų12467%0.66973%0.729SS**  trans5.3162.3143.6550000123.8
578T38.5Very low37.5Very low111 Ų111125.3 Ų125.368%0.68174%0.741SS**  cis-170.2145.2-8.6-92.70000113.7
579S34.8Very low37.2Very low88 Ų88123.1 Ų123.162%0.61574%0.742SS**  trans11.5161.8154.3-50.20000127.8
580H39.2Very low37.1Very low162 Ų162125 Ų12575%0.7574%0.744SS**  trans85.9145.9157-51.1-69.2000118.8
581Q36.8Very low36.6Very low166 Ų166126.3 Ų126.378%0.77674%0.744SS**  cis-166.4150.9-30-126.1-1679.700111.3
582V34.1Very low36.8Very low131 Ų131125.5 Ų125.579%0.79474%0.744SS**  trans72.4151.6149.2170.90000121.2
583A35.5Very low36.8Very low82 Ų82125 Ų12568%0.67875%0.747SS**  trans9289158.200000123.5
584V32.8Very low36.8Very low139 Ų139122.5 Ų122.584%0.84275%0.745SS**  trans46.9143.4132.9-121.90000125.1
585S35.8Very low36.9Very low102 Ų102124.2 Ų124.271%0.71375%0.747SS**  trans89.597.5144.4-64.20000122.3
586N33.6Very low36.6Very low165 Ų165121.2 Ų121.288%0.88274%0.744SS**  52141129.4-70.14.9000124.6
587A35.3Very low36.5Very low88 Ų88123.5 Ų123.573%0.72776%0.756SS**  trans89101.6146.300000120.9
588C29.2Very low36.3Very low129 Ų129126.8 Ų126.887%0.87277%0.769SS**  51.9107.7129-54.80000121.4
589A38.4Very low36Very low88 Ų88128.7 Ų128.773%0.72778%0.775SS**  -170.3121.812600000114.8
590N38.4Very low35.9Very low143 Ų143131.7 Ų131.777%0.76578%0.782SS**  trans54.6115.7132-53.4-11.4000123.3
591N37.4Very low35.7Very low141 Ų141129.6 Ų129.675%0.75479%0.785SS**  90.9109.7124.3-70.6-4.3000124.4
592V40.2Very low35.4Very low117 Ų117129.3 Ų129.371%0.70979%0.79SS**  88.1135.4121.8175.30000120.2
593T40.6Very low35.8Very low142 Ų142128.4 Ų128.487%0.87179%0.786SS**  trans64139.5175.330.80000117.8
594G37.3Very low35.7Very low62 Ų62129.5 Ų129.564%0.63979%0.788SS**  cis174.4143.7-9.300000115
595I39.5Very low35.7Very low165 Ų165130 Ų13085%0.84679%0.786SS**  trans55.3109.9161.17.9178.8000121.3
596S35.1Very low35.9Very low94 Ų94133 Ų13366%0.65779%0.792SS**  trans51.1119.9135.962.60000122.2
597N35.1Very low36Very low170 Ų170129.9 Ų129.991%0.90978%0.783SS**  -156.8148.7106.1-98.5-33.5000111.6
598L35.3Very low36Very low178 Ų178131.8 Ų131.893%0.93279%0.788SS**  trans-98.1132.2-177.5-85154.6000111.3
599N32.3Very low36.3Very low151 Ų151131.6 Ų131.681%0.80778%0.783SS**  trans-148.8156.7155.6-1551.2000112.1
600I31.4Very low36Very low151 Ų151132.3 Ų132.377%0.77478%0.783SS**  trans-55.6135-166.3-62.8153.1000115.1
601S36.5Very low35.8Very low117 Ų117133.1 Ų133.182%0.81879%0.785SS**  trans-168.9148.8140.3-83.80000114.1
602N28.8Very low35.6Very low161 Ų161132.2 Ų132.286%0.86179%0.785SS**  trans-82.1179.8164.2-76-20.9000110.3
603P44.1Very low35.3Very low112 Ų112132.8 Ų132.873%0.72779%0.789SS**  cis-133-163.2-6.935-13.3000114.2
604C33.6Very low34.9Very low104 Ų104131.3 Ų131.370%0.70378%0.784SS**  trans88.5138.8150.5-76.20000122.4
605D32.9Very low34.9Very low150 Ų150135.4 Ų135.480%0.80279%0.791SS**  trans44.1108.8147.9-54.4-30.4000121.4
606I39Very low34.9Very low164 Ų164132.7 Ų132.784%0.84178%0.784SS**  trans-129.6127.7154.3-58.5180000108.2
607S34.9Very low34.9Very low100 Ų100134.9 Ų134.970%0.69979%0.788SS**  trans-67.9157.9-180-55.80000113.2V609S607-V609 PolarHBondContact O-N 3.07Å
608P35.5Very low34.8Very low129 Ų129137 Ų13784%0.83879%0.785SS**  trans-64.8116.9177.726.5-35.1000111.9S610P608-S610 PolarHBondContact O-N 3.13Å
609V35.7Very low34.7Very low124 Ų124134.9 Ų134.975%0.75278%0.775SS**  trans-78.5114.4172.8176.20000109.6S607 I611S607-V609 PolarHBondContact O-N 3.07Å; V609-I611 PolarHBondContact O-N 3.04Å
610S31.9Very low34.8Very low104 Ų104135.6 Ų135.673%0.72778%0.777SS**  trans-67.6109.9171.8-55.10000110.7P608 T612P608-S610 PolarHBondContact O-N 3.13Å; S610-T612 PolarHBondContact O-N 3.42Å; S610-T612 VanDerWaalsContact O-N 3.07Å
611I34.4Very low34.9Very low160 Ų160136.5 Ų136.582%0.82178%0.777SS**  trans-80.488.5174.9-54.2178.6000109.1V609 T613V609-I611 PolarHBondContact O-N 3.04Å; I611-T613 PolarHBondContact O-N 2.97Å
612T33Very low34.8Very low122 Ų122138.1 Ų138.175%0.74878%0.776SS**  trans-73.3121.417249.60000110.6S610 S614S610-T612 PolarHBondContact O-N 3.42Å; S610-T612 VanDerWaalsContact O-N 3.07Å; T612-S614 PolarHBondContact O-N 3.03Å
613T33.9Very low35.1Very low128 Ų128134.3 Ų134.379%0.78577%0.767SS**  trans-76.9102.5178.648.40000112I611I611-T613 PolarHBondContact O-N 2.97Å
614S33.8Very low34.6Very low112 Ų112137 Ų13778%0.78377%0.77SS**  trans-86.6121.8164.455.50000110.7T612T612-S614 PolarHBondContact O-N 3.03Å
615L36.5Very low34.7Very low148 Ų148138.3 Ų138.378%0.77578%0.775SS**  trans-78.9138.7169.1-74.778.8000109.9N617L615-N617 PolarHBondContact O-N 3.21Å; L615-N617 VanDerWaalsContact O-N 3.1Å
616P39.8Very low35Very low108 Ų108137.1 Ų137.170%0.70178%0.778SS**  trans-73.399.6167.530.1-32.1000109.4Y618P616-Y618 HydrophobicContact CB-CE2 4.4Å; P616-Y618 PolarHBondContact O-N 3.29Å
617N33.9Very low34.9Very low139 Ų139136.2 Ų136.274%0.74378%0.775SS**  trans-83.394.9-177.9-152.926.1000110.4L615 N619L615-N617 PolarHBondContact O-N 3.21Å; L615-N617 VanDerWaalsContact O-N 3.1Å; N617-N619 PolarHBondContact O-N 2.96Å; N617-N619 VanDerWaalsContact O-N 3.08Å
618Y33.8Very low35Very low214 Ų214137.6 Ų137.684%0.83978%0.779SS**  trans-79.384.3177.8-88.2-84.1000111.4P616P616-Y618 HydrophobicContact CB-CE2 4.4Å; P616-Y618 PolarHBondContact O-N 3.29Å
619N33.6Very low34.9Very low135 Ų135139.2 Ų139.272%0.72278%0.777SS**  trans-75127.3163.5-83.13.4000109.9N617 H621N617-N619 PolarHBondContact O-N 2.96Å; N617-N619 VanDerWaalsContact O-N 3.08Å; N619-H621 PolarHBondContact O-N 3.48Å
620I34.2Very low35.6Very low166 Ų166139.4 Ų139.485%0.85178%0.779SS**  trans-70.6117.2169.4-61.4172.1000107.7
621H33.5Very low36.3Very low169 Ų169139.2 Ų139.278%0.78278%0.775SS**  trans-104.2102.7169.5-159125.6000108.5N619N619-H621 PolarHBondContact O-N 3.48Å
622L33.3Very low36.4Very low151 Ų151138 Ų13879%0.79177%0.77SS**  trans-84.3113.8168.7-172.170.8000107.7
623A35.6Very low36.9Very low81 Ų81139 Ų13967%0.66977%0.766SS**  trans-114.9108.2177.100000109.5
624E33Very low37.4Very low170 Ų170137.7 Ų137.779%0.79476%0.759SS**  trans-79.7147.7169.6-57.4175.6123.200110
625T36Very low37.6Very low131 Ų131138.5 Ų138.580%0.80475%0.754SS**  trans176.9111.6133.522.50000112.4
626S40.1Very low37.7Very low124 Ų124138.4 Ų138.487%0.86775%0.753SS**  trans-157.4106.7150.648.50000109.5
627N37.4Very low37.7Very low145 Ų145140.1 Ų140.178%0.77576%0.755SS**  trans-80.8149.2-168.3-58.8-36.4000113
628T35.5Very low38.1Very low130 Ų130141.2 Ų141.280%0.79876%0.755SS**  trans-151.8106148.7-65.60000111
629M35.2Very low38Very low162 Ų162136.3 Ų136.380%0.79875%0.752SS**  trans67.1105.3158.1-56.3-177.970.900120.6
630V48.4Very low38.3Very low128 Ų128135.6 Ų135.678%0.77676%0.758SS**  76.2133.385.4-166.50000113.8
631P46.8Very low38.3Very low100 Ų100136.4 Ų136.465%0.64976%0.758SS**  cis-136.5166.4-31.339.9-23.3000115.5
632N37.5Very low38.5Very low134 Ų134134.1 Ų134.172%0.71776%0.758SS**  166137.2114.5-10523.3000113.1
633E43.3Very low38.6Very low143 Ų143131.8 Ų131.867%0.66876%0.755SS**  trans31.8130.8138.4-43-41.595.500120
634T43.5Very low38.3Very low102 Ų102135.9 Ų135.963%0.62677%0.765SS**  cis-166.5151.19.15.20000112.7
635N39.4Very low38.4Very low129 Ų129134.8 Ų134.869%0.6977%0.77SS**  trans60.2121.2150.5-57.4-25.3000120.3
636L37.2Very low38.2Very low145 Ų145134.6 Ų134.676%0.75977%0.768SS**  72.6132.463.8-68.5162000112.4
637I40.8Very low38.1Very low144 Ų144135.1 Ų135.174%0.73877%0.766SS**  cis-150.2159.340.3-75.3-177000113.2
638H41.8Very low38Very low162 Ų162134.3 Ų134.375%0.7577%0.767SS**  trans-14.4138.1159.4-56.790.2000118.6
639S32.8Very low38.1Very low111 Ų111131.5 Ų131.578%0.77676%0.764SS**  cis82.7100.649.1-170.60000115.9
640S38.4Very low38.1Very low120 Ų120131.5 Ų131.584%0.83977%0.767SS**  trans-168.9151.8149.642.90000112.3
641Q34.8Very low37.7Very low184 Ų184133.3 Ų133.386%0.8677%0.77SS**  trans-66.3155.6174.6-110.2175.5-53.100112.2
642P37.5Very low37.3Very low120 Ų120134.4 Ų134.478%0.77978%0.775SS**  -152.9-179.182.542-22.5000118.1
643S34.6Very low37.2Very low103 Ų103135.5 Ų135.572%0.7278%0.781SS**  trans-32135.2174.6-47.90000120.6
644L29.3Very low36.6Very low167 Ų167134.7 Ų134.787%0.87479%0.786SS**  trans22.6114.4134.2-67.8164.8000119.2
645T35.7Very low36.4Very low146 Ų146135.7 Ų135.790%0.89680%0.797SS**  -158148.4122.2-5.40000114
646T31.7Very low36Very low127 Ų127136.2 Ų136.278%0.77981%0.805SS**  trans-60.9138.3178.6-48.60000115
647V38.2Very low35.8Very low136 Ų136136.2 Ų136.282%0.82481%0.806SS**  trans-155.3134131.2164.10000111.4
648T36.4Very low35.4Very low128 Ų128138.1 Ų138.179%0.78582%0.816SS**  trans-27.4138.9165.3-430000119.2
649G37.1Very low34.8Very low71 Ų71135.2 Ų135.273%0.73281%0.814SS**  trans-174.5107.4162.100000114
650N34.9Very low34.7Very low161 Ų161135 Ų13586%0.86181%0.813SS**  trans-90.3120.5179.6-69.41.7000111.4
651I40Very low34.5Very low166 Ų166135.6 Ų135.685%0.85181%0.811SS**  trans-131.5131158.4-62.3-177.1000108.6
652V38.9Very low34.5Very low124 Ų124134.5 Ų134.575%0.75280%0.804SS**  trans-80.7131.6175.9174.50000109.2T654V652-T654 HydrophobicContact CG1-CG2 4.44Å
653N35.5Very low34.6Very low156 Ų156136.3 Ų136.383%0.83481%0.805SS**  trans-139.5119159.2-109.2-14.3000109.6
654T30.7Very low35Very low127 Ų127137.2 Ų137.278%0.77980%0.798SS**  trans-86.1116.5178.947.50000110.3V652V652-T654 HydrophobicContact CG1-CG2 4.44Å
655S38Very low35.8Very low123 Ų123135.1 Ų135.186%0.8679%0.788SS**  trans-151.4137.9167.4-76.70000110.1
656T30.7Very low36.8Very low139 Ų139135.2 Ų135.285%0.85378%0.783SS**  trans-76.6128.5-170.940.70000112.2
657N34.3Very low38.5Very low145 Ų145132.3 Ų132.378%0.77576%0.762SS**  trans-151146.4157.5-133.1-91.3000112.1S659N657-S659 VanDerWaalsContact C-N 3.29Å; N657-S659 PolarHBondContact O-N 2.89Å
658L31.9Very low40.3Very low184 Ų184131.1 Ų131.196%0.96376%0.759SS**  trans-84.772.6-180-77.1159.2000109.5
659S29.6Very low42.8Very low101 Ų101127.2 Ų127.271%0.70673%0.733SS**  trans-105.8148-176.857.20000113.2N657N657-S659 VanDerWaalsContact C-N 3.29Å; N657-S659 PolarHBondContact O-N 2.89Å
660S30.6Very low45.4Very low108 Ų108127.2 Ų127.276%0.75572%0.718SS**  trans-16.3137.8174.6-166.90000117.5K662S660-K662 PolarHBondContact O-N 2.84Å; S660-K662 VanDerWaalsContact O-N 3.14Å
661V33.7Very low48.1Very low132 Ų132127.9 Ų127.980%0.872%0.717SS**  trans-39.2121.1168.6176.80000109.9I663V661-I663 PolarHBondContact O-N 3.43Å; V661-I663 VanDerWaalsContact O-N 3.11Å
662K35.5Very low50.7Low161 Ų161123.4 Ų123.470%0.770%0.7SS**PPolyproline II helixtrans-47.8119.6179.3-166.3-169.2177.2-133.20108.3S660 Q664 D665S660-K662 PolarHBondContact O-N 2.84Å; S660-K662 VanDerWaalsContact O-N 3.14Å; K662-Q664 PolarHBondContact O-N 2.83Å; K662-D665 IonicContact NZ-OD2 2.69Å; K662-D665 PolarHBondContact NZ-OD2 2.74Å
663I39.4Very low53.3Low157 Ų157119.5 Ų119.581%0.80567%0.673SS**PPolyproline II helixtrans-55.3134.7-176.7-65.5175.6000107.9V661 D665V661-I663 PolarHBondContact O-N 3.43Å; V661-I663 VanDerWaalsContact O-N 3.11Å; I663-D665 PolarHBondContact O-N 3.29Å
664Q42.9Very low56.2Low122 Ų122115.8 Ų115.857%0.5765%0.653SS**PPolyproline II helixtrans-57.6125.4-166-66.6166.9-5400110.1K662 D666 L667K662-Q664 PolarHBondContact O-N 2.83Å; Q664-D666 PolarHBondContact O-N 2.94Å; Q664-L667 HydrophobicContact CB-CD1 4.12Å; Q664-L667 HydrophobicContact CG-CD1 4Å
665D46Very low59.2Low124 Ų124113 Ų11366%0.66364%0.639SS**PPolyproline II helixtrans-53.8120.1150.2-61.9-72.1000105.5K662 I663 L667K662-D665 IonicContact NZ-OD2 2.69Å; K662-D665 PolarHBondContact NZ-OD2 2.74Å; I663-D665 PolarHBondContact O-N 3.29Å; D665-L667 PolarHBondContact O-N 2.86Å
666D56.8Low61.9Low148 Ų148109 Ų10979%0.79161%0.609SS**  trans-52.3110.2-167-82.4-54.4000111Q664 C668Q664-D666 PolarHBondContact O-N 2.94Å; D666-C668 PolarHBondContact O-N 2.81Å; D666-C668 PolarHBondContact O-SG 3Å
667L67Low65Low65 Ų65102.8 Ų102.834%0.3457%0.571SS.*  trans-75.775.3-172.4-76.1141.2000109.6Q664 D665 L669 A700Q664-L667 HydrophobicContact CB-CD1 4.12Å; Q664-L667 HydrophobicContact CG-CD1 4Å; D665-L667 PolarHBondContact O-N 2.86Å; L667-L669 VanDerWaalsContact C-N 3.26Å; L667-L669 PolarHBondContact O-N 2.91Å; L667-A700 HydrophobicContact CB-CB 4.37Å; L667-A700 HydrophobicContact CD2-CB 3.52Å
668C77.6Confident67.9Low112 Ų112101.4 Ų101.476%0.75756%0.56SS**  trans-64.179.9179.6-71.30000111.3D666 T670D666-C668 PolarHBondContact O-N 2.81Å; D666-C668 PolarHBondContact O-SG 3Å; C668-T670 PolarHBondContact O-N 2.9Å
669L87Confident70.9Confident46 Ų4695.4 Ų95.424%0.24153%0.533CS..  trans-56.5126.8171-62175.5000109.5L667 Q673 L674 V677 I696 A700L667-L669 VanDerWaalsContact C-N 3.26Å; L667-L669 PolarHBondContact O-N 2.91Å; L669-Q673 HydrophobicContact CB-CB 4.11Å; L669-Q673 HydrophobicContact CD2-CB 3.99Å; L669-L674 HydrophobicContact CB-CB 4.35Å; L669-L674 HydrophobicContact CD1-CD1 4.14Å; L669-V677 HydrophobicContact CD1-CG2 4.4Å; L669-I696 HydrophobicContact CD1-CG2 4.31Å; L669-I696 HydrophobicContact CD2-CG2 4.39Å; L669-A700 HydrophobicContact CD2-CB 3.68Å
670T92.1Very high74Confident70 Ų7091 Ų9143%0.42950%0.502SS..  trans-61.7158.7163.866.80000110.1C668 S672 Q673 L674C668-T670 PolarHBondContact O-N 2.9Å; T670-S672 PolarHBondContact O-N 2.88Å; T670-S672 PolarHBondContact OG1-OG 2.9Å; T670-Q673 WeakPolarHBondContact O-CA 3.18Å; T670-Q673 WeakPolarHBondContact O-CB 3.25Å; T670-Q673 PolarHBondContact O-N 2.95Å; T670-Q673 WeakPolarHBondContact OG1-CB 3.47Å; T670-Q673 VanDerWaalsContact OG1-CG 3.32Å; T670-Q673 WeakPolarHBondContact OG1-CG 3.39Å; T670-Q673 PolarHBondContact OG1-N 2.93Å; T670-Q673 VanDerWaalsContact OG1-N 3.15Å; T670-Q673 PolarHBondContact OG1-OE1 2.82Å; T670-L674 PolarHBondContact O-N 2.86Å
671E92.9Very high77.1Confident176 Ų17687.7 Ų87.782%0.82247%0.474SS*.Hα-helixtrans-53.1-37.8175.4-172.4-179.1-173.600112.5L674 S675E671-L674 PolarHBondContact O-N 3.1Å; E671-S675 VanDerWaalsContact O-CB 3.27Å; E671-S675 WeakPolarHBondContact O-CB 3.12Å; E671-S675 PolarHBondContact O-N 2.87Å
672S93.8Very high79.9Confident72 Ų7288.8 Ų88.850%0.50347%0.47SS..Hα-helixtrans-70.5-36.8175.657.20000113.4T670 T676T670-S672 PolarHBondContact O-N 2.88Å; T670-S672 PolarHBondContact OG1-OG 2.9Å; S672-T676 WeakPolarHBondContact O-CB 3.35Å; S672-T676 PolarHBondContact O-N 2.93Å; S672-T676 PolarHBondContact O-OG1 2.9Å
673Q94.3Very high82.4Confident41 Ų4184.8 Ų84.819%0.19246%0.457CS..Hα-helixtrans-66.2-43.4171.9-75.3169-33.300111L669 T670 T676 V677 I699 A700L669-Q673 HydrophobicContact CB-CB 4.11Å; L669-Q673 HydrophobicContact CD2-CB 3.99Å; T670-Q673 WeakPolarHBondContact O-CA 3.18Å; T670-Q673 WeakPolarHBondContact O-CB 3.25Å; T670-Q673 PolarHBondContact O-N 2.95Å; T670-Q673 WeakPolarHBondContact OG1-CB 3.47Å; T670-Q673 VanDerWaalsContact OG1-CG 3.32Å; T670-Q673 WeakPolarHBondContact OG1-CG 3.39Å; T670-Q673 PolarHBondContact OG1-N 2.93Å; T670-Q673 VanDerWaalsContact OG1-N 3.15Å; T670-Q673 PolarHBondContact OG1-OE1 2.82Å; Q673-T676 WeakPolarHBondContact O-CB 3.44Å; Q673-T676 PolarHBondContact O-N 2.62Å; Q673-V677 WeakPolarHBondContact O-CG2 3.19Å; Q673-V677 PolarHBondContact O-N 3.03Å; Q673-I699 HydrophobicContact CB-CG2 3.86Å; Q673-I699 HydrophobicContact CG-CG2 3.92Å; Q673-I699 PolarHBondContact NE2-O 3.43Å; Q673-A700 PolarHBondContact NE2-O 3.5Å; Q673-A700 VanDerWaalsContact NE2-O 3.09Å
674L94.8Very high85Confident79 Ų7978 Ų7841%0.41442%0.424SS..Hα-helixtrans-64.1-46.1178-178.861.8000111.9L669 T670 E671 T676 V677 Q678L669-L674 HydrophobicContact CB-CB 4.35Å; L669-L674 HydrophobicContact CD1-CD1 4.14Å; T670-L674 PolarHBondContact O-N 2.86Å; E671-L674 PolarHBondContact O-N 3.1Å; L674-T676 VanDerWaalsContact C-N 3.3Å; L674-T676 PolarHBondContact O-N 2.99Å; L674-V677 PolarHBondContact O-N 3.31Å; L674-Q678 WeakPolarHBondContact O-CG 3.36Å; L674-Q678 PolarHBondContact O-N 3.34Å
675S95.3Very high87.5Confident68 Ų6875.3 Ų75.348%0.47641%0.414SS..Hα-helixtrans-58.9-41173.8-179.70000111.9E671 Q678 S679E671-S675 VanDerWaalsContact O-CB 3.27Å; E671-S675 WeakPolarHBondContact O-CB 3.12Å; E671-S675 PolarHBondContact O-N 2.87Å; S675-Q678 PolarHBondContact O-N 2.95Å; S675-S679 WeakPolarHBondContact O-CB 3.42Å; S675-S679 PolarHBondContact O-N 3.03Å
676T94.5Very high89.8Confident38 Ų3874.8 Ų74.823%0.23340%0.402CS..Hα-helixtrans-61.8-48.1173.4-59.40000111.7S672 Q673 L674 Q678 S679 L680 I699 Y751S672-T676 WeakPolarHBondContact O-CB 3.35Å; S672-T676 PolarHBondContact O-N 2.93Å; S672-T676 PolarHBondContact O-OG1 2.9Å; Q673-T676 WeakPolarHBondContact O-CB 3.44Å; Q673-T676 PolarHBondContact O-N 2.62Å; L674-T676 VanDerWaalsContact C-N 3.3Å; L674-T676 PolarHBondContact O-N 2.99Å; T676-Q678 VanDerWaalsContact C-N 3.32Å; T676-Q678 PolarHBondContact O-N 2.99Å; T676-S679 PolarHBondContact O-N 2.89Å; T676-L680 HydrophobicContact CG2-CD1 4.04Å; T676-L680 HydrophobicContact CG2-CG 4.48Å; T676-L680 WeakPolarHBondContact O-CB 3.35Å; T676-L680 VanDerWaalsContact O-CG 3.31Å; T676-L680 WeakPolarHBondContact O-CG 3.36Å; T676-L680 PolarHBondContact O-N 3.06Å; T676-I699 HydrophobicContact CG2-CD1 4.16Å; T676-Y751 HydrophobicContact CG2-CE2 4.27Å; T676-Y751 WeakPolarHBondContact CG2-OH 3.44Å
677V95.8Very high91.7Very high9 Ų968.4 Ų68.46%0.05537%0.369CS..Hα-helixtrans-59-43.4177.21670000111.1L669 Q673 L674 L680 F681 I696 I699L669-V677 HydrophobicContact CD1-CG2 4.4Å; Q673-V677 WeakPolarHBondContact O-CG2 3.19Å; Q673-V677 PolarHBondContact O-N 3.03Å; L674-V677 PolarHBondContact O-N 3.31Å; V677-L680 PolarHBondContact O-N 3.23Å; V677-F681 HydrophobicContact CG1-CD2 3.7Å; V677-F681 HydrophobicContact CG1-CE2 3.49Å; V677-F681 VanDerWaalsContact CG1-CE2 3.49Å; V677-F681 HydrophobicContact CG1-CZ 4.25Å; V677-F681 WeakPolarHBondContact O-CB 3.22Å; V677-F681 WeakPolarHBondContact O-CG 3.46Å; V677-F681 PolarHBondContact O-N 2.71Å; V677-I696 HydrophobicContact CG1-CD1 4.49Å; V677-I696 HydrophobicContact CG1-CG1 3.92Å; V677-I696 HydrophobicContact CG2-CG1 4.25Å; V677-I699 HydrophobicContact CG2-CB 4.3Å; V677-I699 HydrophobicContact CG2-CD1 3.89Å; V677-I699 HydrophobicContact CG2-CG2 4.07Å
678Q95.1Very high93.1Very high117 Ų11768.6 Ų68.655%0.54737%0.373SS..Hα-helixtrans-61.7-48.9176.3-72.2172.5-600111.6L674 S675 T676 L680 F681 Q682L674-Q678 WeakPolarHBondContact O-CG 3.36Å; L674-Q678 PolarHBondContact O-N 3.34Å; S675-Q678 PolarHBondContact O-N 2.95Å; T676-Q678 VanDerWaalsContact C-N 3.32Å; T676-Q678 PolarHBondContact O-N 2.99Å; Q678-L680 VanDerWaalsContact C-N 3.27Å; Q678-L680 PolarHBondContact O-N 3.28Å; Q678-F681 PolarHBondContact O-N 3.13Å; Q678-Q682 PolarHBondContact O-N 3.48Å
679S94.3Very high94Very high57 Ų5774 Ų7440%0.39938%0.377SS..Hα-helixtrans-65.3-25.9177.9-175.20000113.9S675 T676 K753S675-S679 WeakPolarHBondContact O-CB 3.42Å; S675-S679 PolarHBondContact O-N 3.03Å; T676-S679 PolarHBondContact O-N 2.89Å; S679-K753 PolarHBondContact O-NZ 3.41Å
680L95.1Very high94.5Very high9 Ų975.7 Ų75.75%0.04739%0.391CS..Hα-helixtrans-78.6-26.2171.9-70.9174.5000113.1T676 V677 Q678 I695 I699 L718 L742 K753T676-L680 HydrophobicContact CG2-CD1 4.04Å; T676-L680 HydrophobicContact CG2-CG 4.48Å; T676-L680 WeakPolarHBondContact O-CB 3.35Å; T676-L680 VanDerWaalsContact O-CG 3.31Å; T676-L680 WeakPolarHBondContact O-CG 3.36Å; T676-L680 PolarHBondContact O-N 3.06Å; V677-L680 PolarHBondContact O-N 3.23Å; Q678-L680 VanDerWaalsContact C-N 3.27Å; Q678-L680 PolarHBondContact O-N 3.28Å; L680-I695 HydrophobicContact CD1-CG2 4.26Å; L680-I699 HydrophobicContact CD1-CD1 3.44Å; L680-I699 VanDerWaalsContact CD1-CD1 3.44Å; L680-L718 HydrophobicContact CD2-CD1 3.89Å; L680-L742 HydrophobicContact CD1-CD1 4.25Å; L680-L742 HydrophobicContact CD1-CD2 4.23Å; L680-L742 HydrophobicContact CD2-CD1 4Å; L680-K753 HydrophobicContact CD2-CD 4.01Å; L680-K753 HydrophobicContact CD2-CG 4.49Å
681F95.8Very high94.7Very high38 Ų3874 Ų7417%0.16738%0.378CS..Hα-helixtrans-100.8-13.6-177-66.1-16.4000115.3V677 Q678 D683 A684 K692 I695 I696V677-F681 HydrophobicContact CG1-CD2 3.7Å; V677-F681 HydrophobicContact CG1-CE2 3.49Å; V677-F681 VanDerWaalsContact CG1-CE2 3.49Å; V677-F681 HydrophobicContact CG1-CZ 4.25Å; V677-F681 WeakPolarHBondContact O-CB 3.22Å; V677-F681 WeakPolarHBondContact O-CG 3.46Å; V677-F681 PolarHBondContact O-N 2.71Å; Q678-F681 PolarHBondContact O-N 3.13Å; F681-D683 PolarHBondContact O-N 3.45Å; F681-A684 HydrophobicContact CD1-CB 4.46Å; F681-A684 WeakPolarHBondContact O-CB 3.44Å; F681-A684 PolarHBondContact O-N 2.74Å; F681-K692 HydrophobicContact CD1-CG 4.37Å; F681-K692 HydrophobicContact CD2-CD 4.19Å; F681-K692 HydrophobicContact CE1-CB 4.29Å; F681-K692 HydrophobicContact CE1-CD 4.46Å; F681-K692 HydrophobicContact CE1-CG 3.9Å; F681-K692 HydrophobicContact CE2-CB 3.92Å; F681-K692 HydrophobicContact CE2-CD 4.12Å; F681-K692 HydrophobicContact CE2-CG 4.03Å; F681-K692 HydrophobicContact CG-CD 4.4Å; F681-K692 HydrophobicContact CZ-CB 3.65Å; F681-K692 HydrophobicContact CZ-CD 4.29Å; F681-K692 HydrophobicContact CZ-CG 3.73Å; F681-I695 HydrophobicContact CE1-CB 4.21Å; F681-I695 HydrophobicContact CE1-CD1 4Å; F681-I695 HydrophobicContact CE1-CG2 3.94Å; F681-I695 HydrophobicContact CZ-CB 4.09Å; F681-I695 HydrophobicContact CZ-CG2 3.97Å; F681-I696 HydrophobicContact CE2-CD1 4.09Å; F681-I696 HydrophobicContact CE2-CG1 4.1Å; F681-I696 HydrophobicContact CZ-CG1 4.32Å
682Q92.8Very high94.8Very high155 Ų15569 Ų6972%0.72435%0.354SS*.THydrogen-bonded Turntrans-54.5-49.8-179.6-174.9169.65.400112.8Q678Q678-Q682 PolarHBondContact O-N 3.48Å
683D87.4Confident94.9Very high78 Ų7867.8 Ų67.842%0.41735%0.348SS..THydrogen-bonded Turntrans-96.69.1-178.6-40.4-51.2000113F681 N685 S719F681-D683 PolarHBondContact O-N 3.45Å; D683-N685 PolarHBondContact O-N 2.86Å; D683-S719 VanDerWaalsContact O-CB 3.25Å; D683-S719 WeakPolarHBondContact O-CB 3.4Å
684A94.2Very high95Very high15 Ų1566.7 Ų66.712%0.12434%0.343CS..  trans-86.477.3-160.400000114.2F681 R686 V687 L718F681-A684 HydrophobicContact CD1-CB 4.46Å; F681-A684 WeakPolarHBondContact O-CB 3.44Å; F681-A684 PolarHBondContact O-N 2.74Å; A684-R686 VanDerWaalsContact C-N 3.34Å; A684-R686 PolarHBondContact O-N 3.42Å; A684-V687 HydrophobicContact CB-CG2 3.91Å; A684-L718 CarbonylContact C-O 3.58Å; A684-L718 VanDerWaalsContact C-O 3.29Å; A684-L718 WeakPolarHBondContact CA-O 3.23Å
685N94.2Very high95.1Very high65 Ų6562.9 Ų62.935%0.34832%0.323SS..SBendtrans-85.29.3179.776.1-13.4000115.5D683 L718 S719 E720 P769D683-N685 PolarHBondContact O-N 2.86Å; N685-L718 PolarHBondContact N-O 2.71Å; N685-S719 WeakPolarHBondContact OD1-CA 3.46Å; N685-E720 PolarHBondContact ND2-O 3.18Å; N685-E720 PolarHBondContact OD1-N 3.42Å; N685-E720 PolarHBondContact OD1-O 3.29Å; N685-P769 WeakPolarHBondContact ND2-CG 3.48Å
686R96.1Very high95.1Very high112 Ų11262.1 Ų62.142%0.42331%0.313SS..SBendtrans-122.9-15176.5-64.9-7097.3143.1-4115.1A684 T688 R717 L718 E720A684-R686 VanDerWaalsContact C-N 3.34Å; A684-R686 PolarHBondContact O-N 3.42Å; R686-T688 PolarHBondContact O-N 3.19Å; R686-R717 HydrophobicContact CB-CB 4.35Å; R686-R717 HydrophobicContact CB-CG 4.33Å; R686-R717 WeakPolarHBondContact CB-O 3.44Å; R686-R717 HydrophobicContact CG-CG 4.28Å; R686-L718 PolarHBondContact N-O 3.44Å; R686-E720 WeakPolarHBondContact CD-OE2 3.4Å; R686-E720 HydrophobicContact CG-CB 3.64Å; R686-E720 IonicContact CZ-OE2 3.27Å; R686-E720 IonicContact NE-OE2 2.67Å; R686-E720 IonicContact NH1-OE2 2.87Å; R686-E720 PolarHBondContact NH1-OE2 3.14Å
687V96.5Very high95.2Very high14 Ų1461.8 Ų61.89%0.08531%0.312CS..  trans-80.9119.8-173.3-167.70000112.3A684 E691 K692 I695 I716 L718A684-V687 HydrophobicContact CB-CG2 3.91Å; V687-E691 HydrophobicContact CG1-CB 3.55Å; V687-K692 HydrophobicContact CB-CG 4.11Å; V687-K692 HydrophobicContact CG1-CB 4.43Å; V687-K692 HydrophobicContact CG1-CG 3.5Å; V687-K692 WeakPolarHBondContact O-CE 3.45Å; V687-I695 HydrophobicContact CG1-CD1 4.08Å; V687-I716 HydrophobicContact CG1-CG2 4.29Å; V687-I716 HydrophobicContact CG2-CG2 4.35Å; V687-L718 HydrophobicContact CG2-CB 4.38Å; V687-L718 HydrophobicContact CG2-CD2 3.67Å
688T96.6Very high95.2Very high69 Ų6961.6 Ų61.642%0.42331%0.311SS..  trans-76.5163.7176.966.50000112.9R686 E691 K692R686-T688 PolarHBondContact O-N 3.19Å; T688-E691 WeakPolarHBondContact CB-OE2 3.19Å; T688-E691 WeakPolarHBondContact CG2-OE2 3.39Å; T688-E691 PolarHBondContact N-OE2 2.87Å; T688-E691 PolarHBondContact O-N 3.11Å; T688-E691 VanDerWaalsContact O-N 3.12Å; T688-E691 VanDerWaalsContact OG1-CD 3.29Å; T688-E691 WeakPolarHBondContact OG1-CG 3.42Å; T688-E691 PolarHBondContact OG1-OE2 2.97Å; T688-K692 PolarHBondContact O-N 3.41Å
689R96.2Very high95.3Very high227 Ų22756.8 Ų56.886%0.85729%0.288SS*.Hα-helixtrans-51.4-49177.6-173.1179.8178.9-162.4-0.8114.4E691 K692 A693R689-E691 VanDerWaalsContact C-N 3.31Å; R689-E691 PolarHBondContact O-N 3.03Å; R689-K692 PolarHBondContact O-N 3.05Å; R689-A693 PolarHBondContact O-N 2.69Å; R689-A693 VanDerWaalsContact O-N 3.12Å
690P96Very high95.3Very high80 Ų8055.3 Ų55.352%0.51928%0.28SS..Hα-helixtrans-66.8-30.8177.826.1-35.1000113A693 M694P690-A693 PolarHBondContact O-N 2.87Å; P690-M694 PolarHBondContact O-N 2.73Å
691E96.4Very high95.3Very high34 Ų3456.4 Ų56.416%0.15929%0.294CS..Hα-helixtrans-71.5-37.3174.7-69.4169.3133.500111.9V687 T688 R689 A693 M694 I695 I716V687-E691 HydrophobicContact CG1-CB 3.55Å; T688-E691 WeakPolarHBondContact CB-OE2 3.19Å; T688-E691 WeakPolarHBondContact CG2-OE2 3.39Å; T688-E691 PolarHBondContact N-OE2 2.87Å; T688-E691 PolarHBondContact O-N 3.11Å; T688-E691 VanDerWaalsContact O-N 3.12Å; T688-E691 VanDerWaalsContact OG1-CD 3.29Å; T688-E691 WeakPolarHBondContact OG1-CG 3.42Å; T688-E691 PolarHBondContact OG1-OE2 2.97Å; R689-E691 VanDerWaalsContact C-N 3.31Å; R689-E691 PolarHBondContact O-N 3.03Å; E691-A693 VanDerWaalsContact C-N 3.31Å; E691-A693 PolarHBondContact O-N 2.75Å; E691-M694 WeakPolarHBondContact O-CB 3.43Å; E691-M694 PolarHBondContact O-N 2.79Å; E691-I695 VanDerWaalsContact O-CG1 3.27Å; E691-I695 WeakPolarHBondContact O-CG1 3.35Å; E691-I695 PolarHBondContact O-N 2.93Å; E691-I716 HydrophobicContact CB-CD1 4.11Å; E691-I716 HydrophobicContact CB-CG2 4.16Å; E691-I716 HydrophobicContact CG-CD1 4.29Å; E691-I716 HydrophobicContact CG-CG1 4.45Å; E691-I716 HydrophobicContact CG-CG2 4.34Å
692K96.8Very high95.1Very high73 Ų7356.4 Ų56.432%0.31730%0.298SS..Hα-helixtrans-60.1-42.3171.3-67.3-166.5-179.6-172.10111.3F681 V687 T688 R689 I695 I696F681-K692 HydrophobicContact CD1-CG 4.37Å; F681-K692 HydrophobicContact CD2-CD 4.19Å; F681-K692 HydrophobicContact CE1-CB 4.29Å; F681-K692 HydrophobicContact CE1-CD 4.46Å; F681-K692 HydrophobicContact CE1-CG 3.9Å; F681-K692 HydrophobicContact CE2-CB 3.92Å; F681-K692 HydrophobicContact CE2-CD 4.12Å; F681-K692 HydrophobicContact CE2-CG 4.03Å; F681-K692 HydrophobicContact CG-CD 4.4Å; F681-K692 HydrophobicContact CZ-CB 3.65Å; F681-K692 HydrophobicContact CZ-CD 4.29Å; F681-K692 HydrophobicContact CZ-CG 3.73Å; V687-K692 HydrophobicContact CB-CG 4.11Å; V687-K692 HydrophobicContact CG1-CB 4.43Å; V687-K692 HydrophobicContact CG1-CG 3.5Å; V687-K692 WeakPolarHBondContact O-CE 3.45Å; T688-K692 PolarHBondContact O-N 3.41Å; R689-K692 PolarHBondContact O-N 3.05Å; K692-I695 PolarHBondContact O-N 3.07Å; K692-I696 WeakPolarHBondContact O-CB 3.36Å; K692-I696 WeakPolarHBondContact O-CD1 3.47Å; K692-I696 VanDerWaalsContact O-CG1 3.26Å; K692-I696 WeakPolarHBondContact O-CG1 3.2Å; K692-I696 PolarHBondContact O-N 2.91Å
693A95.4Very high95.2Very high46 Ų4654.9 Ų54.938%0.3829%0.286SS..Hα-helixtrans-62.5-44.4174.600000112.2R689 P690 E691 I695 I696 S697R689-A693 PolarHBondContact O-N 2.69Å; R689-A693 VanDerWaalsContact O-N 3.12Å; P690-A693 PolarHBondContact O-N 2.87Å; E691-A693 VanDerWaalsContact C-N 3.31Å; E691-A693 PolarHBondContact O-N 2.75Å; A693-I695 PolarHBondContact O-N 2.97Å; A693-I696 PolarHBondContact O-N 2.93Å; A693-S697 PolarHBondContact O-N 2.89Å; A693-S697 PolarHBondContact O-OG 3.41Å
694M95.4Very high95.5Very high17 Ų1757.6 Ų57.68%0.08430%0.3CS..Hα-helixtrans-58.4-45.2176.1-171.5-175.3-52.700112.3P690 E691 S697 F698 P706 R707 T714 I716 M744 Y746P690-M694 PolarHBondContact O-N 2.73Å; E691-M694 WeakPolarHBondContact O-CB 3.43Å; E691-M694 PolarHBondContact O-N 2.79Å; M694-S697 PolarHBondContact O-N 3.29Å; M694-F698 WeakPolarHBondContact O-CB 3.41Å; M694-F698 PolarHBondContact O-N 2.96Å; M694-P706 HydrophobicContact CE-CG 3.77Å; M694-P706 HydrophobicContact CG-CG 3.89Å; M694-P706 HydrophobicContact SD-CG 4.04Å; M694-R707 HydrophobicContact CE-CG 4.43Å; M694-T714 HydrophobicContact SD-CG2 3.93Å; M694-I716 HydrophobicContact SD-CD1 3.99Å; M694-M744 HydrophobicContact CG-CE 4.02Å; M694-M744 HydrophobicContact SD-CE 3.97Å; M694-Y746 WeakPolarHBondContact CG-OH 3.21Å; M694-Y746 PolarHBondContact SD-OH 2.84Å
695I96.8Very high95.4Very high0 Ų057.9 Ų57.90%030%0.3CS..Hα-helixtrans-65.4-42.5178.6-67.4170.9000111.1L680 F681 V687 E691 K692 A693 F698 I699 I716 L718 L742 M744L680-I695 HydrophobicContact CD1-CG2 4.26Å; F681-I695 HydrophobicContact CE1-CB 4.21Å; F681-I695 HydrophobicContact CE1-CD1 4Å; F681-I695 HydrophobicContact CE1-CG2 3.94Å; F681-I695 HydrophobicContact CZ-CB 4.09Å; F681-I695 HydrophobicContact CZ-CG2 3.97Å; V687-I695 HydrophobicContact CG1-CD1 4.08Å; E691-I695 VanDerWaalsContact O-CG1 3.27Å; E691-I695 WeakPolarHBondContact O-CG1 3.35Å; E691-I695 PolarHBondContact O-N 2.93Å; K692-I695 PolarHBondContact O-N 3.07Å; A693-I695 PolarHBondContact O-N 2.97Å; I695-F698 PolarHBondContact O-N 2.84Å; I695-I699 HydrophobicContact CG2-CD1 3.67Å; I695-I699 WeakPolarHBondContact O-CB 3.26Å; I695-I699 VanDerWaalsContact O-CG1 3.31Å; I695-I699 WeakPolarHBondContact O-CG1 3.37Å; I695-I699 PolarHBondContact O-N 3.35Å; I695-I716 HydrophobicContact CD1-CB 4.49Å; I695-I716 HydrophobicContact CD1-CD1 3.86Å; I695-I716 HydrophobicContact CD1-CG2 4.2Å; I695-I716 HydrophobicContact CG1-CD1 3.73Å; I695-L718 HydrophobicContact CD1-CD2 4.02Å; I695-L742 HydrophobicContact CB-CD2 4.42Å; I695-L742 HydrophobicContact CD1-CD2 3.89Å; I695-L742 HydrophobicContact CG1-CD2 3.79Å; I695-L742 HydrophobicContact CG2-CD2 3.83Å; I695-M744 HydrophobicContact CG1-CE 4.22Å; I695-M744 HydrophobicContact CG1-SD 3.96Å
696I96.8Very high95.2Very high51 Ų5158.7 Ų58.726%0.26231%0.309SS..Hα-helixtrans-60.1-50.4175.1-72.4164.3000110.6L669 V677 F681 K692 A693 F698 I699 A700L669-I696 HydrophobicContact CD1-CG2 4.31Å; L669-I696 HydrophobicContact CD2-CG2 4.39Å; V677-I696 HydrophobicContact CG1-CD1 4.49Å; V677-I696 HydrophobicContact CG1-CG1 3.92Å; V677-I696 HydrophobicContact CG2-CG1 4.25Å; F681-I696 HydrophobicContact CE2-CD1 4.09Å; F681-I696 HydrophobicContact CE2-CG1 4.1Å; F681-I696 HydrophobicContact CZ-CG1 4.32Å; K692-I696 WeakPolarHBondContact O-CB 3.36Å; K692-I696 WeakPolarHBondContact O-CD1 3.47Å; K692-I696 VanDerWaalsContact O-CG1 3.26Å; K692-I696 WeakPolarHBondContact O-CG1 3.2Å; K692-I696 PolarHBondContact O-N 2.91Å; A693-I696 PolarHBondContact O-N 2.93Å; I696-F698 VanDerWaalsContact C-N 3.35Å; I696-F698 PolarHBondContact O-N 3.16Å; I696-I699 PolarHBondContact O-N 3.45Å; I696-A700 VanDerWaalsContact O-CB 3.32Å; I696-A700 WeakPolarHBondContact O-CB 3.37Å; I696-A700 PolarHBondContact O-N 2.91Å
697S95.4Very high94.9Very high32 Ų3257.7 Ų57.722%0.22431%0.305CS..Hα-helixtrans-60.6-41.5179.7-64.20000112.6A693 M694 G701 S702A693-S697 PolarHBondContact O-N 2.89Å; A693-S697 PolarHBondContact O-OG 3.41Å; M694-S697 PolarHBondContact O-N 3.29Å; S697-G701 PolarHBondContact O-N 3.46Å; S697-S702 VanDerWaalsContact O-CB 3.23Å; S697-S702 WeakPolarHBondContact O-CB 3.41Å; S697-S702 PolarHBondContact O-N 3.31Å
698F96.6Very high94.6Very high5 Ų561.1 Ų61.12%0.02233%0.327CS..Hα-helixtrans-62.3-47.3176.8-172.2-88.2000111.8M694 I695 I696 G701 M744 D745 Y746 K750 Y751M694-F698 WeakPolarHBondContact O-CB 3.41Å; M694-F698 PolarHBondContact O-N 2.96Å; I695-F698 PolarHBondContact O-N 2.84Å; I696-F698 VanDerWaalsContact C-N 3.35Å; I696-F698 PolarHBondContact O-N 3.16Å; F698-G701 PolarHBondContact O-N 3.45Å; F698-G701 VanDerWaalsContact O-N 3.14Å; F698-M744 HydrophobicContact CB-SD 3.81Å; F698-M744 HydrophobicContact CD1-CB 4.29Å; F698-M744 HydrophobicContact CD1-CG 4.15Å; F698-M744 HydrophobicContact CD1-SD 4.05Å; F698-M744 HydrophobicContact CD2-CB 4.01Å; F698-M744 HydrophobicContact CD2-SD 4.31Å; F698-M744 HydrophobicContact CE1-CB 4.14Å; F698-M744 HydrophobicContact CE1-CG 4.31Å; F698-M744 HydrophobicContact CE2-CB 3.82Å; F698-M744 HydrophobicContact CG-CB 4.23Å; F698-M744 HydrophobicContact CG-CG 4.27Å; F698-M744 HydrophobicContact CG-SD 3.79Å; F698-M744 HydrophobicContact CZ-CB 3.89Å; F698-D745 WeakPolarHBondContact CZ-O 3.21Å; F698-Y746 AromaticContact CD2-CD1 3.78Å; F698-Y746 HydrophobicContact CD2-CD1 3.78Å; F698-Y746 AromaticContact CD2-CE1 3.59Å; F698-Y746 HydrophobicContact CD2-CE1 3.59Å; F698-Y746 HydrophobicContact CD2-CE2 4.42Å; F698-Y746 HydrophobicContact CD2-CG 4.28Å; F698-Y746 AromaticContact CD2-CZ 3.93Å; F698-Y746 AromaticContact CE2-CD1 3.94Å; F698-Y746 HydrophobicContact CE2-CD1 3.94Å; F698-Y746 HydrophobicContact CE2-CD2 4.36Å; F698-Y746 HydrophobicContact CE2-CE1 4.18Å; F698-Y746 HydrophobicContact CE2-CG 4.03Å; F698-K750 WeakPolarHBondContact CZ-O 3.43Å; F698-Y751 HydrophobicContact CD1-CD1 4.44Å; F698-Y751 HydrophobicContact CE1-CD1 4.04Å; F698-Y751 HydrophobicContact CE1-CG 4.45Å
699I96.2Very high94.3Very high15 Ų1564.6 Ų64.68%0.07734%0.339CS..Hα-helixtrans-69.4-36.8-178.3-68.8169.5000111.4Q673 T676 V677 L680 I695 I696 G701Q673-I699 HydrophobicContact CB-CG2 3.86Å; Q673-I699 HydrophobicContact CG-CG2 3.92Å; Q673-I699 PolarHBondContact NE2-O 3.43Å; T676-I699 HydrophobicContact CG2-CD1 4.16Å; V677-I699 HydrophobicContact CG2-CB 4.3Å; V677-I699 HydrophobicContact CG2-CD1 3.89Å; V677-I699 HydrophobicContact CG2-CG2 4.07Å; L680-I699 HydrophobicContact CD1-CD1 3.44Å; L680-I699 VanDerWaalsContact CD1-CD1 3.44Å; I695-I699 HydrophobicContact CG2-CD1 3.67Å; I695-I699 WeakPolarHBondContact O-CB 3.26Å; I695-I699 VanDerWaalsContact O-CG1 3.31Å; I695-I699 WeakPolarHBondContact O-CG1 3.37Å; I695-I699 PolarHBondContact O-N 3.35Å; I696-I699 PolarHBondContact O-N 3.45Å; I699-G701 PolarHBondContact O-N 3.08Å
700A94.9Very high93.9Very high26 Ų2657.8 Ų57.822%0.21532%0.322CS..Hα-helixtrans-58.6-29.8171.600000112.5L667 L669 Q673 I696L667-A700 HydrophobicContact CB-CB 4.37Å; L667-A700 HydrophobicContact CD2-CB 3.52Å; L669-A700 HydrophobicContact CD2-CB 3.68Å; Q673-A700 PolarHBondContact NE2-O 3.5Å; Q673-A700 VanDerWaalsContact NE2-O 3.09Å; I696-A700 VanDerWaalsContact O-CB 3.32Å; I696-A700 WeakPolarHBondContact O-CB 3.37Å; I696-A700 PolarHBondContact O-N 2.91Å
701G94.1Very high93.7Very high33 Ų3355.3 Ų55.334%0.3431%0.312SS..THydrogen-bonded Turntrans134.8-4.317200000115.1S697 F698 I699 R703S697-G701 PolarHBondContact O-N 3.46Å; F698-G701 PolarHBondContact O-N 3.45Å; F698-G701 VanDerWaalsContact O-N 3.14Å; I699-G701 PolarHBondContact O-N 3.08Å; G701-R703 PolarHBondContact O-NE 3.38Å
702S92.7Very high93.6Very high38 Ų3858.4 Ų58.427%0.26633%0.326SS..  trans-60.8141-180-175.90000111.6S697S697-S702 VanDerWaalsContact O-CB 3.23Å; S697-S702 WeakPolarHBondContact O-CB 3.41Å; S697-S702 PolarHBondContact O-N 3.31Å
703R94.1Very high93.6Very high122 Ų12259.5 Ų59.546%0.4634%0.335SS..  trans-120.92.1177.7-55.3-61.5151.876.9-0.5113G701 N705 G749G701-R703 PolarHBondContact O-NE 3.38Å; R703-N705 PolarHBondContact O-N 3.39Å; R703-G749 VanDerWaalsContact CZ-CA 3.44Å
704D93.5Very high93.5Very high135 Ų13557.5 Ų57.572%0.72232%0.318SS*.  trans-76.6109.9171.8-57.1-53.3000108.4P706D704-P706 VanDerWaalsContact O-CD 3.29Å; D704-P706 WeakPolarHBondContact O-CD 3.27Å
705N92.1Very high93.6Very high21 Ų2163 Ų6311%0.11234%0.337CS..  trans-73117.8176.5-178.56.3000109.5R703 R707 P708 G711 Y746R703-N705 PolarHBondContact O-N 3.39Å; N705-R707 PolarHBondContact ND2-O 3.39Å; N705-R707 PolarHBondContact O-N 3.11Å; N705-R707 PolarHBondContact OD1-N 2.96Å; N705-P708 WeakPolarHBondContact O-CD 3.36Å; N705-G711 PolarHBondContact ND2-O 2.75Å; N705-Y746 HydrophobicContact CB-CD1 3.91Å; N705-Y746 HydrophobicContact CB-CD2 3.74Å; N705-Y746 HydrophobicContact CB-CE1 4.19Å; N705-Y746 HydrophobicContact CB-CE2 4.02Å; N705-Y746 HydrophobicContact CB-CG 3.68Å; N705-Y746 WeakPolarHBondContact OD1-CE2 3.45Å
706P91.1Very high93.5Very high82 Ų8263 Ų6353%0.53234%0.338SS..SBendtrans-74.9-1176.633.9-37.8000113.5M694 D704 Y746M694-P706 HydrophobicContact CE-CG 3.77Å; M694-P706 HydrophobicContact CG-CG 3.89Å; M694-P706 HydrophobicContact SD-CG 4.04Å; D704-P706 VanDerWaalsContact O-CD 3.29Å; D704-P706 WeakPolarHBondContact O-CD 3.27Å; P706-Y746 WeakPolarHBondContact CD-OH 3.49Å
707R89.4Confident93.5Very high92 Ų9264.9 Ų64.935%0.34734%0.341SS..  trans-132.459.7176.7-73.5-171.2-171.9156.72.6111.2M694 N705 E709 T710M694-R707 HydrophobicContact CE-CG 4.43Å; N705-R707 PolarHBondContact ND2-O 3.39Å; N705-R707 PolarHBondContact O-N 3.11Å; N705-R707 PolarHBondContact OD1-N 2.96Å; R707-E709 WeakPolarHBondContact CA-OE1 3.42Å; R707-E709 VanDerWaalsContact CA-OE2 3.23Å; R707-E709 WeakPolarHBondContact CA-OE2 3.36Å; R707-E709 WeakPolarHBondContact CB-OE1 3.12Å; R707-E709 PolarHBondContact O-N 2.89Å; R707-T710 WeakPolarHBondContact O-CB 3.44Å; R707-T710 PolarHBondContact O-N 3.43Å
708P89.2Confident93.6Very high86 Ų8663.5 Ų63.556%0.55833%0.331SS*.G310 helixtrans-62.5-24.9-175.329-35.8000112.8N705 T710 G711N705-P708 WeakPolarHBondContact O-CD 3.36Å; P708-T710 PolarHBondContact O-N 2.75Å; P708-G711 PolarHBondContact O-N 2.84Å
709E91Very high93.6Very high142 Ų14263.3 Ų63.366%0.66433%0.331SS*.G310 helixtrans-64.5-21.317476.6-59.6144.300113.7R707 G711R707-E709 WeakPolarHBondContact CA-OE1 3.42Å; R707-E709 VanDerWaalsContact CA-OE2 3.23Å; R707-E709 WeakPolarHBondContact CA-OE2 3.36Å; R707-E709 WeakPolarHBondContact CB-OE1 3.12Å; R707-E709 PolarHBondContact O-N 2.89Å; E709-G711 VanDerWaalsContact C-N 3.3Å
710T88.2Confident93.6Very high83 Ų8363.6 Ų63.651%0.50933%0.332SS..G310 helixtrans-83.4-7.6172.7-54.40000112R707 P708R707-T710 WeakPolarHBondContact O-CB 3.44Å; R707-T710 PolarHBondContact O-N 3.43Å; P708-T710 PolarHBondContact O-N 2.75Å
711G92.6Very high93.6Very high29 Ų2963 Ų6330%0.29932%0.324SS..  trans80.2176.5-173.800000113.5N705 P708 E709 I713N705-G711 PolarHBondContact ND2-O 2.75Å; P708-G711 PolarHBondContact O-N 2.84Å; E709-G711 VanDerWaalsContact C-N 3.3Å; G711-I713 PolarHBondContact O-N 3.4Å
712Q94Very high93.6Very high98 Ų9863.4 Ų63.446%0.45832%0.316SS..SBendtrans-66.4-7.9-168.9-62.1-57.985.700115.7Y746Q712-Y746 PolarHBondContact O-N 2.93Å
713I95.1Very high93.6Very high97 Ų9763.8 Ų63.850%0.49731%0.313SS..EExtended strand (participates in β ladder)trans-118.1108.2-179.7-57.2178.1000109.2G711 T743 M744 D745G711-I713 PolarHBondContact O-N 3.4Å; I713-T743 HydrophobicContact CG2-CG2 3.45Å; I713-T743 VanDerWaalsContact CG2-CG2 3.45Å; I713-M744 CarbonylContact C-O 3.57Å; I713-M744 WeakPolarHBondContact CA-O 3.28Å; I713-D745 HydrophobicContact CG1-CB 4.14Å
714T95.2Very high93.4Very high4 Ų465.3 Ų65.33%0.02532%0.319CS..EExtended strand (participates in β ladder)trans-96.6142.5174-67.20000110.5M694 I716 M744M694-T714 HydrophobicContact SD-CG2 3.93Å; T714-I716 HydrophobicContact CG2-CG1 4.2Å; T714-M744 HydrophobicContact CG2-CE 4.27Å; T714-M744 PolarHBondContact N-O 3.04Å; T714-M744 PolarHBondContact O-N 2.9Å
715R95.7Very high93.1Very high131 Ų13159.5 Ų59.549%0.49429%0.289SS..EExtended strand (participates in β ladder)trans-129.7116.3178.8-176.7173.1174.3-109.46.5111F741 L742R715-F741 HydrophobicContact CG-CB 4.13Å; R715-F741 HydrophobicContact CG-CD1 3.98Å; R715-F741 HydrophobicContact CG-CG 4.37Å; R715-F741 VanDerWaalsContact CZ-CD1 3.48Å; R715-L742 WeakPolarHBondContact CA-O 3.48Å
716I96.4Very high92.9Very high2 Ų263 Ų631%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-107.8140.4-179.1-64.2166.1000108.8V687 E691 M694 I695 T714 F741 L742 M744V687-I716 HydrophobicContact CG1-CG2 4.29Å; V687-I716 HydrophobicContact CG2-CG2 4.35Å; E691-I716 HydrophobicContact CB-CD1 4.11Å; E691-I716 HydrophobicContact CB-CG2 4.16Å; E691-I716 HydrophobicContact CG-CD1 4.29Å; E691-I716 HydrophobicContact CG-CG1 4.45Å; E691-I716 HydrophobicContact CG-CG2 4.34Å; M694-I716 HydrophobicContact SD-CD1 3.99Å; I695-I716 HydrophobicContact CD1-CB 4.49Å; I695-I716 HydrophobicContact CD1-CD1 3.86Å; I695-I716 HydrophobicContact CD1-CG2 4.2Å; I695-I716 HydrophobicContact CG1-CD1 3.73Å; T714-I716 HydrophobicContact CG2-CG1 4.2Å; I716-F741 CarbonylContact O-C 3.29Å; I716-F741 VanDerWaalsContact O-CA 3.26Å; I716-F741 WeakPolarHBondContact O-CA 3.45Å; I716-L742 PolarHBondContact N-O 2.86Å; I716-L742 PolarHBondContact O-N 2.88Å; I716-M744 HydrophobicContact CD1-CE 3.63Å
717R97Very high92.5Very high89 Ų8959.6 Ų59.634%0.33628%0.284SS..EExtended strand (participates in β ladder)trans-83.3117.3171.8-162.7-176.2-62.2-167.614.6108.9R686 E720 D739 T740 F741R686-R717 HydrophobicContact CB-CB 4.35Å; R686-R717 HydrophobicContact CB-CG 4.33Å; R686-R717 WeakPolarHBondContact CB-O 3.44Å; R686-R717 HydrophobicContact CG-CG 4.28Å; R717-E720 VanDerWaalsContact NH1-CD 3.28Å; R717-E720 IonicContact NH1-OE1 3.81Å; R717-E720 PolarHBondContact NH1-OE1 2.9Å; R717-E720 IonicContact NH1-OE2 2.73Å; R717-D739 WeakPolarHBondContact CD-OD1 3.28Å; R717-D739 IonicContact CZ-OD1 3.62Å; R717-D739 IonicContact NE-OD1 2.75Å; R717-D739 IonicContact NH1-OD1 3.53Å; R717-D739 PolarHBondContact NH1-OD1 3.07Å; R717-D739 IonicContact NH1-OD2 2.74Å; R717-T740 CarbonylContact C-O 3.56Å; R717-F741 HydrophobicContact CB-CD1 3.88Å; R717-F741 HydrophobicContact CB-CE1 3.76Å; R717-F741 HydrophobicContact CG-CD1 4.05Å; R717-F741 HydrophobicContact CG-CE1 3.77Å; R717-F741 HydrophobicContact CG-CZ 4.1Å
718L97.5Very high92.2Very high3 Ų360.1 Ų60.12%0.01629%0.29CS..EExtended strand (participates in β ladder)trans-76.8-55.2177.5-64-177000111.3L680 A684 N685 R686 V687 I695 T740 L742 K753L680-L718 HydrophobicContact CD2-CD1 3.89Å; A684-L718 CarbonylContact C-O 3.58Å; A684-L718 VanDerWaalsContact C-O 3.29Å; A684-L718 WeakPolarHBondContact CA-O 3.23Å; N685-L718 PolarHBondContact N-O 2.71Å; R686-L718 PolarHBondContact N-O 3.44Å; V687-L718 HydrophobicContact CG2-CB 4.38Å; V687-L718 HydrophobicContact CG2-CD2 3.67Å; I695-L718 HydrophobicContact CD1-CD2 4.02Å; L718-T740 HydrophobicContact CB-CG2 4.3Å; L718-T740 HydrophobicContact CD1-CG2 4.11Å; L718-T740 PolarHBondContact N-O 3.01Å; L718-L742 HydrophobicContact CD1-CB 4.08Å; L718-L742 HydrophobicContact CD2-CB 3.92Å; L718-L742 HydrophobicContact CG-CB 3.96Å; L718-K753 HydrophobicContact CD1-CD 4.41Å; L718-K753 HydrophobicContact CD1-CG 4.18Å
719S95.9Very high91.9Very high2 Ų261 Ų611%0.01429%0.29CS..EExtended strand (participates in β ladder)trans-136.4156-174.679.30000112D683 N685 D739 T740D683-S719 VanDerWaalsContact O-CB 3.25Å; D683-S719 WeakPolarHBondContact O-CB 3.4Å; N685-S719 WeakPolarHBondContact OD1-CA 3.46Å; S719-D739 WeakPolarHBondContact O-CA 3.36Å; S719-T740 PolarHBondContact N-O 3.22Å; S719-T740 PolarHBondContact O-N 2.89Å; S719-T740 WeakPolarHBondContact OG-CB 3.41Å; S719-T740 PolarHBondContact OG-OG1 3.21Å
720E95.2Very high91.7Very high20 Ų2057.9 Ų57.99%0.09328%0.281CS..EExtended strand (participates in β ladder)trans-141.8116.7168.9-177173.7-143.400108.2N685 R686 R717 V738 D739 R758 L768N685-E720 PolarHBondContact ND2-O 3.18Å; N685-E720 PolarHBondContact OD1-N 3.42Å; N685-E720 PolarHBondContact OD1-O 3.29Å; R686-E720 WeakPolarHBondContact CD-OE2 3.4Å; R686-E720 HydrophobicContact CG-CB 3.64Å; R686-E720 IonicContact CZ-OE2 3.27Å; R686-E720 IonicContact NE-OE2 2.67Å; R686-E720 IonicContact NH1-OE2 2.87Å; R686-E720 PolarHBondContact NH1-OE2 3.14Å; R717-E720 VanDerWaalsContact NH1-CD 3.28Å; R717-E720 IonicContact NH1-OE1 3.81Å; R717-E720 PolarHBondContact NH1-OE1 2.9Å; R717-E720 IonicContact NH1-OE2 2.73Å; E720-V738 WeakPolarHBondContact CA-O 3.32Å; E720-D739 WeakPolarHBondContact CG-OD1 3.41Å; E720-R758 IonicContact OE1-CZ 3.22Å; E720-R758 VanDerWaalsContact OE1-CZ 3.27Å; E720-R758 IonicContact OE1-NH1 2.84Å; E720-R758 PolarHBondContact OE1-NH1 3.23Å; E720-R758 IonicContact OE1-NH2 2.75Å; E720-R758 PolarHBondContact OE1-NH2 2.98Å; E720-L768 HydrophobicContact CG-CD1 4.11Å; E720-L768 HydrophobicContact CG-CD2 3.8Å
721H94.5Very high91.6Very high13 Ų1356.5 Ų56.56%0.0628%0.284CS..EExtended strand (participates in β ladder)trans-146.8170.2-178.654.7-120.2000110.5V738 P769 H771H721-V738 PolarHBondContact N-O 3.03Å; H721-V738 WeakPolarHBondContact NE2-CG1 3.38Å; H721-V738 PolarHBondContact O-N 2.94Å; H721-P769 WeakPolarHBondContact CA-O 3.16Å; H721-P769 HydrophobicContact CB-CG 4.17Å; H721-P769 WeakPolarHBondContact CB-O 3.49Å; H721-H771 HydrophobicContact CB-CB 4.29Å; H721-H771 AromaticContact CD2-CG 3.97Å; H721-H771 AromaticContact CE1-CD2 3.43Å; H721-H771 PolarHBondContact CE1-CD2 3.37Å; H721-H771 VanDerWaalsContact CE1-CD2 3.43Å; H721-H771 AromaticContact CE1-CG 3.88Å; H721-H771 AromaticContact CE1-NE2 3.93Å; H721-H771 AromaticContact CG-CD2 3.95Å; H721-H771 AromaticContact ND1-CD2 3.52Å; H721-H771 AromaticContact NE2-CD2 3.83Å; H721-H771 AromaticContact NE2-CG 3.8Å
722R94.2Very high91.2Very high43 Ų4361.6 Ų61.616%0.16230%0.299CS..EExtended strand (participates in β ladder)trans-101.5146.316764.8175.1136164.9-6.6111.6D735 L736 L765 V766 L768 P769 L770 H771R722-D735 VanDerWaalsContact CD-OD2 3.29Å; R722-D735 WeakPolarHBondContact CD-OD2 3.29Å; R722-D735 IonicContact NH1-OD2 2.71Å; R722-D735 PolarHBondContact NH1-OD2 3.2Å; R722-L736 CarbonylContact C-O 3.57Å; R722-L736 VanDerWaalsContact CA-O 3.22Å; R722-L736 WeakPolarHBondContact CA-O 3.33Å; R722-L765 HydrophobicContact CB-CD2 4.48Å; R722-L765 WeakPolarHBondContact CD-O 2.97Å; R722-L765 PolarHBondContact NE-O 2.98Å; R722-V766 PolarHBondContact NH2-O 3.27Å; R722-L768 HydrophobicContact CB-CB 4.21Å; R722-L768 HydrophobicContact CG-CB 4.42Å; R722-L768 PolarHBondContact NE-O 3.3Å; R722-L768 PolarHBondContact NH2-O 3.36Å; R722-P769 PolarHBondContact N-O 3.3Å; R722-L770 HydrophobicContact CG-CB 4.27Å; R722-L770 HydrophobicContact CG-CD1 3.97Å; R722-H771 PolarHBondContact O-N 3.07Å
723E92.9Very high90.9Very high45 Ų4562.7 Ų62.721%0.2131%0.308CS..EExtended strand (participates in β ladder)trans-129.6141.3177.9-174.3174.8171.200110.1V725 L736 V738 K755 Y757E723-V725 HydrophobicContact CG-CG2 4.18Å; E723-L736 PolarHBondContact N-O 2.77Å; E723-L736 PolarHBondContact O-N 3.13Å; E723-V738 HydrophobicContact CB-CG2 3.71Å; E723-K755 IonicContact OE1-NZ 3.53Å; E723-K755 WeakPolarHBondContact OE2-CE 3.2Å; E723-K755 IonicContact OE2-NZ 3.92Å; E723-K755 PolarHBondContact OE2-NZ 3.44Å; E723-Y757 WeakPolarHBondContact OE2-CE1 3.22Å
724R90.3Very high90.5Very high155 Ų15561.1 Ų61.159%0.58530%0.299SS*.EExtended strand (participates in β ladder)trans-90.2105.7177-84.8-178.9172-179.7-0.4110.7D735R724-D735 WeakPolarHBondContact CG-OD1 3.37Å; R724-D735 IonicContact CZ-OD1 3.67Å; R724-D735 IonicContact NE-OD1 2.71Å; R724-D735 PolarHBondContact NE-OD1 3.5Å; R724-D735 IonicContact NH2-OD1 3.36Å; R724-D735 PolarHBondContact NH2-OD1 3.42Å; R724-D735 IonicContact NH2-OD2 3.05Å
725V87.7Confident90.3Very high13 Ų1362.5 Ų62.58%0.07931%0.307CS..EExtended strand (participates in β ladder)trans-107.1134.9-177.2-179.30000109.9I537 E723 N727 M734 L736 Y757I537-V725 HydrophobicContact CB-CG1 4.5Å; I537-V725 HydrophobicContact CD1-CG1 4.23Å; I537-V725 HydrophobicContact CG1-CG1 4Å; I537-V725 HydrophobicContact CG2-CG1 4Å; E723-V725 HydrophobicContact CG-CG2 4.18Å; V725-N727 PolarHBondContact O-N 3.2Å; V725-M734 PolarHBondContact N-O 3.23Å; V725-M734 PolarHBondContact O-N 2.8Å; V725-L736 HydrophobicContact CB-CD1 4.1Å; V725-L736 HydrophobicContact CG1-CD1 4.48Å; V725-L736 HydrophobicContact CG2-CD1 4.06Å; V725-Y757 HydrophobicContact CG2-CE1 4.41Å
726L87.7Confident90.1Very high94 Ų9456.7 Ų56.749%0.49229%0.285SS..EExtended strand (participates in β ladder)trans-77.6115.6172.4-17567.5000109.6Q728 G731 L733L726-Q728 PolarHBondContact O-N 3.09Å; L726-G731 WeakPolarHBondContact CD1-O 3.48Å; L726-L733 HydrophobicContact CB-CD2 4.24Å; L726-L733 HydrophobicContact CD1-CD2 4.2Å; L726-L733 HydrophobicContact CD1-CG 4.49Å
727N82.8Confident90Very high10 Ų1056.6 Ų56.65%0.05329%0.285CS..  trans-73107.8173.1-179.8-19.3000109.2V725 N729 T730 G731 Q732V725-N727 PolarHBondContact O-N 3.2Å; N727-N729 PolarHBondContact O-N 3.48Å; N727-N729 VanDerWaalsContact O-N 3.1Å; N727-N729 WeakPolarHBondContact OD1-CB 3.43Å; N727-N729 PolarHBondContact OD1-N 3.25Å; N727-N729 VanDerWaalsContact OD1-N 3.07Å; N727-T730 WeakPolarHBondContact CB-OG1 3.48Å; N727-T730 VanDerWaalsContact CG-OG1 3.31Å; N727-T730 PolarHBondContact O-N 3.2Å; N727-T730 VanDerWaalsContact O-N 3.16Å; N727-G731 PolarHBondContact O-N 2.99Å; N727-Q732 PolarHBondContact N-O 3.3Å
728Q82.5Confident89.9Confident103 Ų10352.3 Ų52.348%0.48127%0.269SS..THydrogen-bonded Turntrans-58.8-24.9-175.3-61.7-170.6-7.700113.7Q536 L726Q536-Q728 VanDerWaalsContact O-CD 3.25Å; Q536-Q728 PolarHBondContact O-NE2 3.45Å; L726-Q728 PolarHBondContact O-N 3.09Å
729N84Confident89.7Confident105 Ų10552.7 Ų52.756%0.56127%0.27SS*.THydrogen-bonded Turntrans-84-23.1-177.1-52.8-21.9000113Y534 N727Y534-N729 PolarHBondContact O-ND2 3.2Å; N727-N729 PolarHBondContact O-N 3.48Å; N727-N729 VanDerWaalsContact O-N 3.1Å; N727-N729 WeakPolarHBondContact OD1-CB 3.43Å; N727-N729 PolarHBondContact OD1-N 3.25Å; N727-N729 VanDerWaalsContact OD1-N 3.07Å
730T85.4Confident89.7Confident77 Ų7753.2 Ų53.247%0.47227%0.274SS..THydrogen-bonded Turntrans-119.6-14.4-174.360.50000113.6N727 Q732N727-T730 WeakPolarHBondContact CB-OG1 3.48Å; N727-T730 VanDerWaalsContact CG-OG1 3.31Å; N727-T730 PolarHBondContact O-N 3.2Å; N727-T730 VanDerWaalsContact O-N 3.16Å; T730-Q732 PolarHBondContact O-N 3.5Å; T730-Q732 PolarHBondContact OG1-N 3.21Å
731G86.3Confident89.8Confident54 Ų5453.1 Ų53.156%0.55727%0.273SS*.  trans68.18.8-172.500000114L726 N727L726-G731 WeakPolarHBondContact CD1-O 3.48Å; N727-G731 PolarHBondContact O-N 2.99Å
732Q85.2Confident90Very high135 Ų13552.5 Ų52.563%0.63127%0.27SS*.  trans-94.3142.1-178.4-60.8-174.610.300111.3N727 T730N727-Q732 PolarHBondContact N-O 3.3Å; T730-Q732 PolarHBondContact O-N 3.5Å; T730-Q732 PolarHBondContact OG1-N 3.21Å
733L86.6Confident90.1Very high122 Ų12252 Ų5264%0.63927%0.272SS*.EExtended strand (participates in β ladder)trans-75131.1167.5-70.2171.2000109.2L726L726-L733 HydrophobicContact CB-CD2 4.24Å; L726-L733 HydrophobicContact CD1-CD2 4.2Å; L726-L733 HydrophobicContact CD1-CG 4.49Å
734M87Confident90.3Very high63 Ų6349.9 Ų49.931%0.3126%0.262SS..EExtended strand (participates in β ladder)trans-127.5128.4179.1-169.4171.36800108.8V535 V725 L736V535-M734 HydrophobicContact CG2-CE 4.11Å; V725-M734 PolarHBondContact N-O 3.23Å; V725-M734 PolarHBondContact O-N 2.8Å; M734-L736 HydrophobicContact CE-CD1 4.18Å; M734-L736 HydrophobicContact CE-CD2 3.77Å; M734-L736 HydrophobicContact CE-CG 3.94Å
735D90.7Very high90.6Very high34 Ų3443.8 Ų43.818%0.18224%0.241CC..EExtended strand (participates in β ladder)trans-68.6127.6167.6-75.128.8000107.6R722 R724 L765R722-D735 VanDerWaalsContact CD-OD2 3.29Å; R722-D735 WeakPolarHBondContact CD-OD2 3.29Å; R722-D735 IonicContact NH1-OD2 2.71Å; R722-D735 PolarHBondContact NH1-OD2 3.2Å; R724-D735 WeakPolarHBondContact CG-OD1 3.37Å; R724-D735 IonicContact CZ-OD1 3.67Å; R724-D735 IonicContact NE-OD1 2.71Å; R724-D735 PolarHBondContact NE-OD1 3.5Å; R724-D735 IonicContact NH2-OD1 3.36Å; R724-D735 PolarHBondContact NH2-OD1 3.42Å; R724-D735 IonicContact NH2-OD2 3.05Å; D735-L765 HydrophobicContact CB-CD1 4.05Å; D735-L765 VanDerWaalsContact O-CD1 3.31Å; D735-L765 WeakPolarHBondContact O-CD1 3.47Å
736L92Very high91Very high8 Ų843.6 Ų43.64%0.04224%0.239CC..EExtended strand (participates in β ladder)trans-120.2145.2172.4-80.6174.9000110I537 R722 E723 V725 M734 Y757I537-L736 HydrophobicContact CD1-CD1 3.77Å; R722-L736 CarbonylContact C-O 3.57Å; R722-L736 VanDerWaalsContact CA-O 3.22Å; R722-L736 WeakPolarHBondContact CA-O 3.33Å; E723-L736 PolarHBondContact N-O 2.77Å; E723-L736 PolarHBondContact O-N 3.13Å; V725-L736 HydrophobicContact CB-CD1 4.1Å; V725-L736 HydrophobicContact CG1-CD1 4.48Å; V725-L736 HydrophobicContact CG2-CD1 4.06Å; M734-L736 HydrophobicContact CE-CD1 4.18Å; M734-L736 HydrophobicContact CE-CD2 3.77Å; M734-L736 HydrophobicContact CE-CG 3.94Å; L736-Y757 HydrophobicContact CD1-CD1 4.42Å
737A94.3Very high91.3Very high0 Ų043 Ų430%024%0.243CC..EExtended strand (participates in β ladder)trans-81.2135.7171.200000109.3R758 D760 L765 L768A737-R758 HydrophobicContact CB-CG 3.55Å; A737-R758 PolarHBondContact N-O 3.25Å; A737-R758 PolarHBondContact O-N 3.05Å; A737-D760 HydrophobicContact CB-CB 3.92Å; A737-L765 HydrophobicContact CB-CD2 3.72Å; A737-L765 VanDerWaalsContact N-CD2 3.29Å; A737-L768 HydrophobicContact CB-CD1 3.65Å
738V94.4Very high91.9Very high0 Ų046.1 Ų46.10%026%0.262CS..EExtended strand (participates in β ladder)trans-128.8113.9-171.5176.10000108.9E720 H721 E723 K755 C756 Y757E720-V738 WeakPolarHBondContact CA-O 3.32Å; H721-V738 PolarHBondContact N-O 3.03Å; H721-V738 WeakPolarHBondContact NE2-CG1 3.38Å; H721-V738 PolarHBondContact O-N 2.94Å; E723-V738 HydrophobicContact CB-CG2 3.71Å; V738-K755 HydrophobicContact CG1-CD 4.17Å; V738-K755 HydrophobicContact CG1-CG 3.82Å; V738-C756 WeakPolarHBondContact CA-O 3.4Å; V738-Y757 HydrophobicContact CG2-CD1 3.6Å; V738-Y757 HydrophobicContact CG2-CE1 3.8Å; V738-Y757 HydrophobicContact CG2-CG 4.48Å
739D95.2Very high92.5Very high10 Ų1041.8 Ų41.85%0.05325%0.245CC..EExtended strand (participates in β ladder)trans-102.3125.2173.1-67.6-55.2000109.7R717 S719 E720 F741 C756 R758R717-D739 WeakPolarHBondContact CD-OD1 3.28Å; R717-D739 IonicContact CZ-OD1 3.62Å; R717-D739 IonicContact NE-OD1 2.75Å; R717-D739 IonicContact NH1-OD1 3.53Å; R717-D739 PolarHBondContact NH1-OD1 3.07Å; R717-D739 IonicContact NH1-OD2 2.74Å; S719-D739 WeakPolarHBondContact O-CA 3.36Å; E720-D739 WeakPolarHBondContact CG-OD1 3.41Å; D739-F741 HydrophobicContact CB-CD2 3.98Å; D739-F741 HydrophobicContact CB-CE2 3.25Å; D739-F741 HydrophobicContact CB-CZ 3.8Å; D739-C756 HydrophobicContact CB-CB 4.42Å; D739-C756 PolarHBondContact N-O 2.9Å; D739-C756 PolarHBondContact O-N 3.38Å; D739-R758 IonicContact OD1-NH1 2.91Å; D739-R758 PolarHBondContact OD1-NH1 3.2Å; D739-R758 IonicContact OD2-CZ 3.63Å; D739-R758 IonicContact OD2-NH1 3.44Å; D739-R758 PolarHBondContact OD2-NH1 3.29Å
740T96.1Very high93.1Very high14 Ų1442.6 Ų42.69%0.08624%0.244CC..EExtended strand (participates in β ladder)trans-96.7132.5165.7-50.60000108.8R717 L718 S719 K753 V754R717-T740 CarbonylContact C-O 3.56Å; L718-T740 HydrophobicContact CB-CG2 4.3Å; L718-T740 HydrophobicContact CD1-CG2 4.11Å; L718-T740 PolarHBondContact N-O 3.01Å; S719-T740 PolarHBondContact N-O 3.22Å; S719-T740 PolarHBondContact O-N 2.89Å; S719-T740 WeakPolarHBondContact OG-CB 3.41Å; S719-T740 PolarHBondContact OG-OG1 3.21Å; T740-K753 HydrophobicContact CG2-CD 4.33Å; T740-K753 HydrophobicContact CG2-CG 3.73Å; T740-V754 WeakPolarHBondContact CA-O 3.29Å
741F97Very high93.6Very high18 Ų1840.4 Ų40.48%0.07923%0.227CC..EExtended strand (participates in β ladder)trans-120.9148.2175.6-63.8-94.5000111.3R715 I716 R717 D739 K753 V754 C756R715-F741 HydrophobicContact CG-CB 4.13Å; R715-F741 HydrophobicContact CG-CD1 3.98Å; R715-F741 HydrophobicContact CG-CG 4.37Å; R715-F741 VanDerWaalsContact CZ-CD1 3.48Å; I716-F741 CarbonylContact O-C 3.29Å; I716-F741 VanDerWaalsContact O-CA 3.26Å; I716-F741 WeakPolarHBondContact O-CA 3.45Å; R717-F741 HydrophobicContact CB-CD1 3.88Å; R717-F741 HydrophobicContact CB-CE1 3.76Å; R717-F741 HydrophobicContact CG-CD1 4.05Å; R717-F741 HydrophobicContact CG-CE1 3.77Å; R717-F741 HydrophobicContact CG-CZ 4.1Å; D739-F741 HydrophobicContact CB-CD2 3.98Å; D739-F741 HydrophobicContact CB-CE2 3.25Å; D739-F741 HydrophobicContact CB-CZ 3.8Å; F741-K753 CarbonylContact O-C 3.48Å; F741-K753 WeakPolarHBondContact O-CA 3.46Å; F741-V754 PolarHBondContact N-O 3.13Å; F741-V754 PolarHBondContact O-N 2.85Å; F741-C756 HydrophobicContact CD2-CB 4.48Å; F741-C756 HydrophobicContact CE2-CB 4.19Å
742L97.6Very high94.1Very high0 Ų040.4 Ų40.40%021%0.213CC..EExtended strand (participates in β ladder)trans-103.4119.8161.5-171.671.6000108.3L680 I695 R715 I716 L718 M744 Y751 E752L680-L742 HydrophobicContact CD1-CD1 4.25Å; L680-L742 HydrophobicContact CD1-CD2 4.23Å; L680-L742 HydrophobicContact CD2-CD1 4Å; I695-L742 HydrophobicContact CB-CD2 4.42Å; I695-L742 HydrophobicContact CD1-CD2 3.89Å; I695-L742 HydrophobicContact CG1-CD2 3.79Å; I695-L742 HydrophobicContact CG2-CD2 3.83Å; R715-L742 WeakPolarHBondContact CA-O 3.48Å; I716-L742 PolarHBondContact N-O 2.86Å; I716-L742 PolarHBondContact O-N 2.88Å; L718-L742 HydrophobicContact CD1-CB 4.08Å; L718-L742 HydrophobicContact CD2-CB 3.92Å; L718-L742 HydrophobicContact CG-CB 3.96Å; L742-M744 HydrophobicContact CD2-CG 3.82Å; L742-M744 HydrophobicContact CD2-SD 3.74Å; L742-M744 HydrophobicContact CG-CG 3.92Å; L742-M744 HydrophobicContact CG-SD 4.48Å; L742-Y751 HydrophobicContact CD1-CD2 3.85Å; L742-Y751 HydrophobicContact CD1-CG 4.4Å; L742-E752 WeakPolarHBondContact CA-O 3.49Å
743T96.7Very high94.6Very high33 Ų3336.1 Ų36.120%0.20219%0.192CC..EExtended strand (participates in β ladder)trans-95133.2167.3-52.70000107.9I713 Y751 E752I713-T743 HydrophobicContact CG2-CG2 3.45Å; I713-T743 VanDerWaalsContact CG2-CG2 3.45Å; T743-Y751 CarbonylContact O-C 3.59Å; T743-Y751 WeakPolarHBondContact O-CA 3.39Å; T743-Y751 WeakPolarHBondContact O-CB 3.46Å; T743-E752 PolarHBondContact N-O 3.01Å; T743-E752 PolarHBondContact O-N 3.45Å
744M96.7Very high95Very high0 Ų030.8 Ų30.80%016%0.164CC..EExtended strand (participates in β ladder)trans-128.9119.9179.7-60.7-176.5-56.900109.2M694 I695 F698 I713 T714 I716 L742M694-M744 HydrophobicContact CG-CE 4.02Å; M694-M744 HydrophobicContact SD-CE 3.97Å; I695-M744 HydrophobicContact CG1-CE 4.22Å; I695-M744 HydrophobicContact CG1-SD 3.96Å; F698-M744 HydrophobicContact CB-SD 3.81Å; F698-M744 HydrophobicContact CD1-CB 4.29Å; F698-M744 HydrophobicContact CD1-CG 4.15Å; F698-M744 HydrophobicContact CD1-SD 4.05Å; F698-M744 HydrophobicContact CD2-CB 4.01Å; F698-M744 HydrophobicContact CD2-SD 4.31Å; F698-M744 HydrophobicContact CE1-CB 4.14Å; F698-M744 HydrophobicContact CE1-CG 4.31Å; F698-M744 HydrophobicContact CE2-CB 3.82Å; F698-M744 HydrophobicContact CG-CB 4.23Å; F698-M744 HydrophobicContact CG-CG 4.27Å; F698-M744 HydrophobicContact CG-SD 3.79Å; F698-M744 HydrophobicContact CZ-CB 3.89Å; I713-M744 CarbonylContact C-O 3.57Å; I713-M744 WeakPolarHBondContact CA-O 3.28Å; T714-M744 HydrophobicContact CG2-CE 4.27Å; T714-M744 PolarHBondContact N-O 3.04Å; T714-M744 PolarHBondContact O-N 2.9Å; I716-M744 HydrophobicContact CD1-CE 3.63Å; L742-M744 HydrophobicContact CD2-CG 3.82Å; L742-M744 HydrophobicContact CD2-SD 3.74Å; L742-M744 HydrophobicContact CG-CG 3.92Å; L742-M744 HydrophobicContact CG-SD 4.48Å
745D96.5Very high95.4Very high27 Ų2730.3 Ų30.314%0.14416%0.161CC..EExtended strand (participates in β ladder)trans-102.2106.4176.81738.1000109.7F698 I713 S747 T748 G749 K750F698-D745 WeakPolarHBondContact CZ-O 3.21Å; I713-D745 HydrophobicContact CG1-CB 4.14Å; D745-S747 VanDerWaalsContact C-N 3.26Å; D745-S747 PolarHBondContact O-N 3.42Å; D745-S747 WeakPolarHBondContact OD1-CA 3.31Å; D745-S747 WeakPolarHBondContact OD1-CB 3.44Å; D745-S747 PolarHBondContact OD1-N 3.03Å; D745-S747 PolarHBondContact OD1-OG 3.29Å; D745-S747 PolarHBondContact OD2-OG 2.87Å; D745-T748 PolarHBondContact OD1-N 3.16Å; D745-T748 WeakPolarHBondContact OD2-CB 3.16Å; D745-T748 WeakPolarHBondContact OD2-CG2 3.21Å; D745-T748 PolarHBondContact OD2-OG1 3.1Å; D745-G749 VanDerWaalsContact O-CA 3.29Å; D745-G749 WeakPolarHBondContact O-CA 3.32Å; D745-G749 PolarHBondContact O-N 2.81Å; D745-K750 PolarHBondContact N-O 2.64Å; D745-K750 PolarHBondContact O-N 3.49Å
746Y96.7Very high95.5Very high8 Ų828.9 Ų28.93%0.03115%0.153CC..THydrogen-bonded Turntrans-68.9-22.8179.6-70.3-91.2000112.8M694 F698 N705 P706 Q712M694-Y746 WeakPolarHBondContact CG-OH 3.21Å; M694-Y746 PolarHBondContact SD-OH 2.84Å; F698-Y746 AromaticContact CD2-CD1 3.78Å; F698-Y746 HydrophobicContact CD2-CD1 3.78Å; F698-Y746 AromaticContact CD2-CE1 3.59Å; F698-Y746 HydrophobicContact CD2-CE1 3.59Å; F698-Y746 HydrophobicContact CD2-CE2 4.42Å; F698-Y746 HydrophobicContact CD2-CG 4.28Å; F698-Y746 AromaticContact CD2-CZ 3.93Å; F698-Y746 AromaticContact CE2-CD1 3.94Å; F698-Y746 HydrophobicContact CE2-CD1 3.94Å; F698-Y746 HydrophobicContact CE2-CD2 4.36Å; F698-Y746 HydrophobicContact CE2-CE1 4.18Å; F698-Y746 HydrophobicContact CE2-CG 4.03Å; N705-Y746 HydrophobicContact CB-CD1 3.91Å; N705-Y746 HydrophobicContact CB-CD2 3.74Å; N705-Y746 HydrophobicContact CB-CE1 4.19Å; N705-Y746 HydrophobicContact CB-CE2 4.02Å; N705-Y746 HydrophobicContact CB-CG 3.68Å; N705-Y746 WeakPolarHBondContact OD1-CE2 3.45Å; P706-Y746 WeakPolarHBondContact CD-OH 3.49Å; Q712-Y746 PolarHBondContact O-N 2.93Å
747S94.4Very high95.6Very high82 Ų8229.1 Ų29.157%0.57315%0.154SC*.THydrogen-bonded Turntrans-76.7-33.9178.874.60000113.2D745D745-S747 VanDerWaalsContact C-N 3.26Å; D745-S747 PolarHBondContact O-N 3.42Å; D745-S747 WeakPolarHBondContact OD1-CA 3.31Å; D745-S747 WeakPolarHBondContact OD1-CB 3.44Å; D745-S747 PolarHBondContact OD1-N 3.03Å; D745-S747 PolarHBondContact OD1-OG 3.29Å; D745-S747 PolarHBondContact OD2-OG 2.87Å
748T95.3Very high95.5Very high75 Ų7531.7 Ų31.746%0.4616%0.163SC..THydrogen-bonded Turntrans-105.2-13.9177.166.30000114.1D745 K750D745-T748 PolarHBondContact OD1-N 3.16Å; D745-T748 WeakPolarHBondContact OD2-CB 3.16Å; D745-T748 WeakPolarHBondContact OD2-CG2 3.21Å; D745-T748 PolarHBondContact OD2-OG1 3.1Å; T748-K750 VanDerWaalsContact C-N 3.26Å; T748-K750 PolarHBondContact O-N 3.16Å; T748-K750 PolarHBondContact OG1-N 3.36Å
749G95.1Very high95.2Very high12 Ų1236.6 Ų36.612%0.12420%0.197CC..THydrogen-bonded Turntrans72.415.3-173.500000114.5R703 D745R703-G749 VanDerWaalsContact CZ-CA 3.44Å; D745-G749 VanDerWaalsContact O-CA 3.29Å; D745-G749 WeakPolarHBondContact O-CA 3.32Å; D745-G749 PolarHBondContact O-N 2.81Å
750K95.9Very high94.9Very high123 Ų12338 Ų3854%0.53521%0.205SC..EExtended strand (participates in β ladder)trans-95.8148.3-179-62.6-166.4176.7-1490111.5F698 D745 T748F698-K750 WeakPolarHBondContact CZ-O 3.43Å; D745-K750 PolarHBondContact N-O 2.64Å; D745-K750 PolarHBondContact O-N 3.49Å; T748-K750 VanDerWaalsContact C-N 3.26Å; T748-K750 PolarHBondContact O-N 3.16Å; T748-K750 PolarHBondContact OG1-N 3.36Å
751Y96.5Very high94.6Very high30 Ų3040 Ų4012%0.11822%0.217CC..EExtended strand (participates in β ladder)trans-130.5159.4172.764.1-89.4000111.4P329 T676 F698 L742 T743P329-Y751 HydrophobicContact CB-CE1 4.19Å; P329-Y751 HydrophobicContact CG-CE1 3.97Å; T676-Y751 HydrophobicContact CG2-CE2 4.27Å; T676-Y751 WeakPolarHBondContact CG2-OH 3.44Å; F698-Y751 HydrophobicContact CD1-CD1 4.44Å; F698-Y751 HydrophobicContact CE1-CD1 4.04Å; F698-Y751 HydrophobicContact CE1-CG 4.45Å; L742-Y751 HydrophobicContact CD1-CD2 3.85Å; L742-Y751 HydrophobicContact CD1-CG 4.4Å; T743-Y751 CarbonylContact O-C 3.59Å; T743-Y751 WeakPolarHBondContact O-CA 3.39Å; T743-Y751 WeakPolarHBondContact O-CB 3.46Å
752E95.6Very high94.1Very high55 Ų5543.7 Ų43.726%0.25724%0.243SC..EExtended strand (participates in β ladder)trans-146.2132.1-177-169.6176-11200111I324 L742 T743 V754I324-E752 HydrophobicContact CG2-CG 4.19Å; I324-E752 WeakPolarHBondContact CG2-OE1 3.25Å; I324-E752 WeakPolarHBondContact CG2-OE2 3.36Å; L742-E752 WeakPolarHBondContact CA-O 3.49Å; T743-E752 PolarHBondContact N-O 3.01Å; T743-E752 PolarHBondContact O-N 3.45Å; E752-V754 HydrophobicContact CB-CG2 4.49Å; E752-V754 HydrophobicContact CG-CG2 3.92Å; E752-V754 WeakPolarHBondContact OE2-CG2 3.47Å
753K95.9Very high93.7Very high45 Ų4549.1 Ų49.120%0.19627%0.268CS..EExtended strand (participates in β ladder)trans-94.8107.3175.7-167.1176.3-175.3176.90108.2C325 S679 L680 L718 T740 F741C325-K753 WeakPolarHBondContact CB-O 3.42Å; S679-K753 PolarHBondContact O-NZ 3.41Å; L680-K753 HydrophobicContact CD2-CD 4.01Å; L680-K753 HydrophobicContact CD2-CG 4.49Å; L718-K753 HydrophobicContact CD1-CD 4.41Å; L718-K753 HydrophobicContact CD1-CG 4.18Å; T740-K753 HydrophobicContact CG2-CD 4.33Å; T740-K753 HydrophobicContact CG2-CG 3.73Å; F741-K753 CarbonylContact O-C 3.48Å; F741-K753 WeakPolarHBondContact O-CA 3.46Å
754V95.1Very high93.3Very high10 Ų1051 Ų516%0.06128%0.277CS..EExtended strand (participates in β ladder)trans-107.6128.8-175-176.50000110I324 T740 F741 E752I324-V754 HydrophobicContact CG1-CG1 4.3Å; T740-V754 WeakPolarHBondContact CA-O 3.29Å; F741-V754 PolarHBondContact N-O 3.13Å; F741-V754 PolarHBondContact O-N 2.85Å; E752-V754 HydrophobicContact CB-CG2 4.49Å; E752-V754 HydrophobicContact CG-CG2 3.92Å; E752-V754 WeakPolarHBondContact OE2-CG2 3.47Å
755K95.1Very high93Very high53 Ų5351.7 Ų51.723%0.2328%0.281CS..EExtended strand (participates in β ladder)trans-102.1118.9175.6-166178.8-178.5-1670109.3I323 E723 V738 Y757I323-K755 PolarHBondContact N-O 2.91Å; I323-K755 PolarHBondContact O-N 3.04Å; I323-K755 VanDerWaalsContact O-O 3.1Å; E723-K755 IonicContact OE1-NZ 3.53Å; E723-K755 WeakPolarHBondContact OE2-CE 3.2Å; E723-K755 IonicContact OE2-NZ 3.92Å; E723-K755 PolarHBondContact OE2-NZ 3.44Å; V738-K755 HydrophobicContact CG1-CD 4.17Å; V738-K755 HydrophobicContact CG1-CG 3.82Å; K755-Y757 HydrophobicContact CD-CE2 4.08Å; K755-Y757 WeakPolarHBondContact CD-OH 3.47Å; K755-Y757 VanDerWaalsContact CE-OH 3.27Å; K755-Y757 WeakPolarHBondContact CE-OH 3.4Å; K755-Y757 HydrophobicContact CG-CE2 4.09Å; K755-Y757 PolarHBondContact NZ-OH 2.99Å
756C93.2Very high92.7Very high3 Ų354.7 Ų54.72%0.0230%0.3CS..EExtended strand (participates in β ladder)trans-109.9128.9179.6-66.10000109.9P320 V321 V738 D739 F741P320-C756 HydrophobicContact CB-CB 4.48Å; V321-C756 WeakPolarHBondContact O-CA 3.45Å; V738-C756 WeakPolarHBondContact CA-O 3.4Å; D739-C756 HydrophobicContact CB-CB 4.42Å; D739-C756 PolarHBondContact N-O 2.9Å; D739-C756 PolarHBondContact O-N 3.38Å; F741-C756 HydrophobicContact CD2-CB 4.48Å; F741-C756 HydrophobicContact CE2-CB 4.19Å
757Y93.6Very high92.4Very high14 Ų1460.5 Ų60.56%0.05533%0.332CS..EExtended strand (participates in β ladder)trans-102127172.2-60.2-100.5000108.9P320 V321 I323 I537 E723 V725 L736 V738 K755P320-Y757 CarbonylContact C-O 3.54Å; P320-Y757 WeakPolarHBondContact CA-O 3.5Å; P320-Y757 WeakPolarHBondContact CB-O 3.48Å; V321-Y757 PolarHBondContact N-O 3.31Å; V321-Y757 PolarHBondContact O-N 3.04Å; I323-Y757 HydrophobicContact CB-CE2 4.43Å; I323-Y757 HydrophobicContact CD1-CD2 4.2Å; I323-Y757 HydrophobicContact CD1-CE2 3.6Å; I323-Y757 HydrophobicContact CG1-CD2 4.2Å; I323-Y757 HydrophobicContact CG1-CE2 3.9Å; I537-Y757 HydrophobicContact CD1-CD1 3.52Å; I537-Y757 HydrophobicContact CD1-CD2 3.96Å; I537-Y757 HydrophobicContact CD1-CE1 3.99Å; I537-Y757 HydrophobicContact CD1-CE2 4.38Å; I537-Y757 HydrophobicContact CD1-CG 3.51Å; I537-Y757 HydrophobicContact CG2-CE1 4.26Å; E723-Y757 WeakPolarHBondContact OE2-CE1 3.22Å; V725-Y757 HydrophobicContact CG2-CE1 4.41Å; L736-Y757 HydrophobicContact CD1-CD1 4.42Å; V738-Y757 HydrophobicContact CG2-CD1 3.6Å; V738-Y757 HydrophobicContact CG2-CE1 3.8Å; V738-Y757 HydrophobicContact CG2-CG 4.48Å; K755-Y757 HydrophobicContact CD-CE2 4.08Å; K755-Y757 WeakPolarHBondContact CD-OH 3.47Å; K755-Y757 VanDerWaalsContact CE-OH 3.27Å; K755-Y757 WeakPolarHBondContact CE-OH 3.4Å; K755-Y757 HydrophobicContact CG-CE2 4.09Å; K755-Y757 PolarHBondContact NZ-OH 2.99Å
758R91.9Very high92.3Very high54 Ų5457.3 Ų57.320%0.20431%0.308CS..EExtended strand (participates in β ladder)trans-121.7139173.276.6-175.3-164-121.72109.8P320 E720 A737 D739 D760P320-R758 HydrophobicContact CB-CB 4.09Å; E720-R758 IonicContact OE1-CZ 3.22Å; E720-R758 VanDerWaalsContact OE1-CZ 3.27Å; E720-R758 IonicContact OE1-NH1 2.84Å; E720-R758 PolarHBondContact OE1-NH1 3.23Å; E720-R758 IonicContact OE1-NH2 2.75Å; E720-R758 PolarHBondContact OE1-NH2 2.98Å; A737-R758 HydrophobicContact CB-CG 3.55Å; A737-R758 PolarHBondContact N-O 3.25Å; A737-R758 PolarHBondContact O-N 3.05Å; D739-R758 IonicContact OD1-NH1 2.91Å; D739-R758 PolarHBondContact OD1-NH1 3.2Å; D739-R758 IonicContact OD2-CZ 3.63Å; D739-R758 IonicContact OD2-NH1 3.44Å; D739-R758 PolarHBondContact OD2-NH1 3.29Å; R758-D760 IonicContact CZ-OD2 2.75Å; R758-D760 IonicContact NE-OD2 3.4Å; R758-D760 PolarHBondContact NE-OD2 3.3Å; R758-D760 IonicContact NH2-OD2 3.89Å; R758-D760 PolarHBondContact NH2-OD2 2.89Å
759S89.3Confident92Very high102 Ų10256.8 Ų56.871%0.71331%0.306SS*.  trans-67.4139.2158.8-57.30000107.9
760D88.5Confident91.6Very high41 Ų4160.2 Ų60.222%0.21932%0.321CS..  trans-141.5164.6176.4-145.9-35.4000107.8A737 R758 N764 L765A737-D760 HydrophobicContact CB-CB 3.92Å; R758-D760 IonicContact CZ-OD2 2.75Å; R758-D760 IonicContact NE-OD2 3.4Å; R758-D760 PolarHBondContact NE-OD2 3.3Å; R758-D760 IonicContact NH2-OD2 3.89Å; R758-D760 PolarHBondContact NH2-OD2 2.89Å; D760-N764 HydrophobicContact CB-CB 4.45Å; D760-N764 WeakPolarHBondContact OD1-CB 3.43Å; D760-N764 PolarHBondContact OD1-ND2 3.42Å; D760-L765 HydrophobicContact CB-CD2 3.93Å; D760-L765 HydrophobicContact CB-CG 4.07Å; D760-L765 WeakPolarHBondContact O-CD1 3.42Å
761T89.6Confident90.8Very high56 Ų5657.6 Ų57.634%0.34431%0.31SS..  trans-71.6150.7-178.663.30000110.9E763 N764 L765T761-E763 VanDerWaalsContact CB-CD 3.44Å; T761-E763 WeakPolarHBondContact CB-OE1 3.33Å; T761-E763 WeakPolarHBondContact CB-OE2 3.06Å; T761-E763 PolarHBondContact O-N 3.04Å; T761-E763 PolarHBondContact OG1-OE1 3.02Å; T761-E763 PolarHBondContact OG1-OE2 3.09Å; T761-N764 WeakPolarHBondContact O-CB 3.28Å; T761-N764 PolarHBondContact O-N 3.11Å; T761-N764 PolarHBondContact OG1-ND2 2.79Å; T761-L765 WeakPolarHBondContact O-CG 3.34Å; T761-L765 PolarHBondContact O-N 3.09Å
762P86.1Confident89.1Confident95 Ų9560.8 Ų60.862%0.61734%0.337SS*.Hα-helixtrans-59.2-34.2-174.722.3-32.9000112.9L765 V766P762-L765 PolarHBondContact O-N 3.32Å; P762-V766 VanDerWaalsContact O-CG2 3.28Å; P762-V766 WeakPolarHBondContact O-CG2 3.34Å; P762-V766 PolarHBondContact O-N 3.38Å
763E89Confident87.3Confident114 Ų11462 Ų6253%0.53335%0.352SS..Hα-helixtrans-66.5-37.5173.767.4-75.617700112.9T761 N767T761-E763 VanDerWaalsContact CB-CD 3.44Å; T761-E763 WeakPolarHBondContact CB-OE1 3.33Å; T761-E763 WeakPolarHBondContact CB-OE2 3.06Å; T761-E763 PolarHBondContact O-N 3.04Å; T761-E763 PolarHBondContact OG1-OE1 3.02Å; T761-E763 PolarHBondContact OG1-OE2 3.09Å; E763-N767 PolarHBondContact O-N 3.07Å; E763-N767 PolarHBondContact O-ND2 2.83Å; E763-N767 VanDerWaalsContact O-ND2 3.08Å
764N89.6Confident84.3Confident72 Ų7270.1 Ų70.139%0.38540%0.395SS..Hα-helixtrans-68.9-42.5172.7-75.3-13.9000111.6D760 T761 V766 N767 L768D760-N764 HydrophobicContact CB-CB 4.45Å; D760-N764 WeakPolarHBondContact OD1-CB 3.43Å; D760-N764 PolarHBondContact OD1-ND2 3.42Å; T761-N764 WeakPolarHBondContact O-CB 3.28Å; T761-N764 PolarHBondContact O-N 3.11Å; T761-N764 PolarHBondContact OG1-ND2 2.79Å; N764-V766 VanDerWaalsContact C-N 3.3Å; N764-V766 PolarHBondContact O-N 3.37Å; N764-N767 WeakPolarHBondContact O-CB 3.36Å; N764-N767 PolarHBondContact O-N 2.85Å; N764-N767 VanDerWaalsContact O-N 3.11Å; N764-L768 PolarHBondContact O-N 3.49Å
765L90.3Very high83.7Confident14 Ų1473.1 Ų73.17%0.07341%0.412CS..Hα-helixtrans-60.1-39.4176.5-68169.9000111.8R722 D735 A737 D760 T761 P762 N767 L768R722-L765 HydrophobicContact CB-CD2 4.48Å; R722-L765 WeakPolarHBondContact CD-O 2.97Å; R722-L765 PolarHBondContact NE-O 2.98Å; D735-L765 HydrophobicContact CB-CD1 4.05Å; D735-L765 VanDerWaalsContact O-CD1 3.31Å; D735-L765 WeakPolarHBondContact O-CD1 3.47Å; A737-L765 HydrophobicContact CB-CD2 3.72Å; A737-L765 VanDerWaalsContact N-CD2 3.29Å; D760-L765 HydrophobicContact CB-CD2 3.93Å; D760-L765 HydrophobicContact CB-CG 4.07Å; D760-L765 WeakPolarHBondContact O-CD1 3.42Å; T761-L765 WeakPolarHBondContact O-CG 3.34Å; T761-L765 PolarHBondContact O-N 3.09Å; P762-L765 PolarHBondContact O-N 3.32Å; L765-N767 VanDerWaalsContact C-N 3.27Å; L765-N767 PolarHBondContact O-N 3.32Å; L765-L768 PolarHBondContact O-N 3.42Å; L765-L768 VanDerWaalsContact O-N 3.11Å
766V89.1Confident83.2Confident91 Ų9174.2 Ų74.255%0.55242%0.421SS*.Hα-helixtrans-63.5-31.9176.1166.90000112.5R722 P762 N764 L768R722-V766 PolarHBondContact NH2-O 3.27Å; P762-V766 VanDerWaalsContact O-CG2 3.28Å; P762-V766 WeakPolarHBondContact O-CG2 3.34Å; P762-V766 PolarHBondContact O-N 3.38Å; N764-V766 VanDerWaalsContact C-N 3.3Å; N764-V766 PolarHBondContact O-N 3.37Å; V766-L768 VanDerWaalsContact C-N 3.27Å; V766-L768 PolarHBondContact O-N 3.17Å
767N91.2Very high82.6Confident130 Ų13078.1 Ų78.170%0.69544%0.443SS*.Hα-helixtrans-74.7-13.1175.5-64.8-35.2000113.7E763 N764 L765E763-N767 PolarHBondContact O-N 3.07Å; E763-N767 PolarHBondContact O-ND2 2.83Å; E763-N767 VanDerWaalsContact O-ND2 3.08Å; N764-N767 WeakPolarHBondContact O-CB 3.36Å; N764-N767 PolarHBondContact O-N 2.85Å; N764-N767 VanDerWaalsContact O-N 3.11Å; L765-N767 VanDerWaalsContact C-N 3.27Å; L765-N767 PolarHBondContact O-N 3.32Å
768L91.7Very high81.9Confident15 Ų1581.9 Ų81.98%0.07947%0.466CS..SBendtrans-86.4143.7175.4-60.8-170.7000111.8E720 R722 A737 N764 L765 V766 L770E720-L768 HydrophobicContact CG-CD1 4.11Å; E720-L768 HydrophobicContact CG-CD2 3.8Å; R722-L768 HydrophobicContact CB-CB 4.21Å; R722-L768 HydrophobicContact CG-CB 4.42Å; R722-L768 PolarHBondContact NE-O 3.3Å; R722-L768 PolarHBondContact NH2-O 3.36Å; A737-L768 HydrophobicContact CB-CD1 3.65Å; N764-L768 PolarHBondContact O-N 3.49Å; L765-L768 PolarHBondContact O-N 3.42Å; L765-L768 VanDerWaalsContact O-N 3.11Å; V766-L768 VanDerWaalsContact C-N 3.27Å; V766-L768 PolarHBondContact O-N 3.17Å; L768-L770 PolarHBondContact O-N 2.98Å
769P90.5Very high81.3Confident64 Ų6483.6 Ų83.642%0.41648%0.483SS..PPolyproline II helixtrans-63.5136.8172.126.8-32.6000109.8N685 H721 R722N685-P769 WeakPolarHBondContact ND2-CG 3.48Å; H721-P769 WeakPolarHBondContact CA-O 3.16Å; H721-P769 HydrophobicContact CB-CG 4.17Å; H721-P769 WeakPolarHBondContact CB-O 3.49Å; R722-P769 PolarHBondContact N-O 3.3Å
770L86.4Confident80.8Confident83 Ų8382.4 Ų82.444%0.43547%0.467SS..BIsolated β-bridgetrans-74.2125.4173.6179.662.9000109.3R722 L768 S772R722-L770 HydrophobicContact CG-CB 4.27Å; R722-L770 HydrophobicContact CG-CD1 3.97Å; L768-L770 PolarHBondContact O-N 2.98Å; L770-S772 PolarHBondContact O-N 3.23Å; L770-S772 VanDerWaalsContact O-N 3.1Å
771H79.3Confident80.2Confident69 Ų6985.4 Ų85.432%0.31949%0.485SS..  trans-75.7100.3177.2-164.9-100000110.4H721 R722 S773H721-H771 HydrophobicContact CB-CB 4.29Å; H721-H771 AromaticContact CD2-CG 3.97Å; H721-H771 AromaticContact CE1-CD2 3.43Å; H721-H771 PolarHBondContact CE1-CD2 3.37Å; H721-H771 VanDerWaalsContact CE1-CD2 3.43Å; H721-H771 AromaticContact CE1-CG 3.88Å; H721-H771 AromaticContact CE1-NE2 3.93Å; H721-H771 AromaticContact CG-CD2 3.95Å; H721-H771 AromaticContact ND1-CD2 3.52Å; H721-H771 AromaticContact NE2-CD2 3.83Å; H721-H771 AromaticContact NE2-CG 3.8Å; R722-H771 PolarHBondContact O-N 3.07Å; H771-S773 PolarHBondContact CE1-OG 2.85Å; H771-S773 VanDerWaalsContact CE1-OG 3.25Å; H771-S773 PolarHBondContact ND1-OG 2.98Å; H771-S773 PolarHBondContact O-N 3.3Å
772S60.8Low79.5Confident97 Ų9787.6 Ų87.668%0.67850%0.496SS*.  trans-75.465.7-179.9-61.90000112.6L770 I774L770-S772 PolarHBondContact O-N 3.23Å; L770-S772 VanDerWaalsContact O-N 3.1Å; S772-I774 PolarHBondContact O-N 3.06Å; S772-I774 VanDerWaalsContact O-N 3.08Å
773S57.3Low79Confident81 Ų8187 Ų8757%0.56649%0.486SS*.  trans-71.594.9163.2-66.20000109.7H771H771-S773 PolarHBondContact CE1-OG 2.85Å; H771-S773 VanDerWaalsContact CE1-OG 3.25Å; H771-S773 PolarHBondContact ND1-OG 2.98Å; H771-S773 PolarHBondContact O-N 3.3Å
774I32.5Very low78.1Confident214 Ų21484.5 Ų84.5100%1.09748%0.481SS*.  trans-81.70164-57.4178.9000107.8S772S772-I774 PolarHBondContact O-N 3.06Å; S772-I774 VanDerWaalsContact O-N 3.08Å

Retrieved 774 of 774 residues in 219.5 ms (Link to these results)