A0A077YXB4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YXB4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 355 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
1M68.3Low86.9Confident233 Ų233132.6 Ų132.6100%1.14864%0.639SS**  0151.90-72.2178.2170.200109.3
2S85.5Confident87Confident72 Ų72125.2 Ų125.250%0.50362%0.623SS.*  trans-84.3147.4174.560.60000111.9F4 S5 A6S2-F4 VanDerWaalsContact C-N 3.25Å; S2-F4 PolarHBondContact O-N 3.15Å; S2-S5 WeakPolarHBondContact O-CB 3.35Å; S2-S5 PolarHBondContact O-N 2.8Å; S2-A6 PolarHBondContact O-N 3.37Å
3F89.6Confident87.2Confident154 Ų154126.5 Ų126.568%0.67562%0.623SS**Hα-helixtrans-54.4-40.6177.4176.6-98.6000112.6S5 A6 L7F3-S5 VanDerWaalsContact C-N 3.31Å; F3-S5 PolarHBondContact O-N 2.93Å; F3-A6 PolarHBondContact O-N 3.49Å; F3-L7 HydrophobicContact CE1-CD2 4.29Å; F3-L7 WeakPolarHBondContact O-CB 3.46Å; F3-L7 PolarHBondContact O-N 3.41Å
4F89.1Confident87.4Confident163 Ų163120.1 Ų120.172%0.71561%0.605SS**Hα-helixtrans-63-32.3176.4-67.6-78.3000113.7S2 R8S2-F4 VanDerWaalsContact C-N 3.25Å; S2-F4 PolarHBondContact O-N 3.15Å; F4-R8 WeakPolarHBondContact O-CB 3.26Å; F4-R8 PolarHBondContact O-N 2.84Å
5S87.5Confident87.5Confident47 Ų47115.8 Ų115.833%0.32960%0.596SS.*Hα-helixtrans-68.5-46.5175.2-172.80000111S2 F3 L7 R8 W9S2-S5 WeakPolarHBondContact O-CB 3.35Å; S2-S5 PolarHBondContact O-N 2.8Å; F3-S5 VanDerWaalsContact C-N 3.31Å; F3-S5 PolarHBondContact O-N 2.93Å; S5-L7 PolarHBondContact O-N 3.28Å; S5-R8 PolarHBondContact O-N 3.35Å; S5-W9 PolarHBondContact O-N 3.26Å
6A88Confident87.4Confident50 Ų50116.1 Ų116.141%0.41359%0.593SS.*Hα-helixtrans-60.9-43.6175.600000112S2 F3 R8 W9 M10S2-A6 PolarHBondContact O-N 3.37Å; F3-A6 PolarHBondContact O-N 3.49Å; A6-R8 PolarHBondContact O-N 3.18Å; A6-W9 PolarHBondContact O-N 3.16Å; A6-M10 VanDerWaalsContact O-CG 3.29Å; A6-M10 WeakPolarHBondContact O-CG 3.31Å; A6-M10 PolarHBondContact O-N 2.95Å
7L90.6Very high87.5Confident77 Ų77114.3 Ų114.340%0.40359%0.585SS.*Hα-helixtrans-63.7-40177-175.561.2000112.3F3 S5 M10 L11F3-L7 HydrophobicContact CE1-CD2 4.29Å; F3-L7 WeakPolarHBondContact O-CB 3.46Å; F3-L7 PolarHBondContact O-N 3.41Å; S5-L7 PolarHBondContact O-N 3.28Å; L7-M10 PolarHBondContact O-N 3.3Å; L7-L11 HydrophobicContact CD1-CD1 4.32Å; L7-L11 HydrophobicContact CD1-CG 4.4Å; L7-L11 HydrophobicContact CG-CD1 4.14Å; L7-L11 WeakPolarHBondContact O-CB 3.36Å; L7-L11 WeakPolarHBondContact O-CG 3.5Å; L7-L11 PolarHBondContact O-N 3.24Å
8R89.8Confident87.6Confident207 Ų207113.7 Ų113.778%0.78158%0.582SS**Hα-helixtrans-63.4-41.7175-175.8175.5177.8126.52.3111.8F4 S5 A6 G12F4-R8 WeakPolarHBondContact O-CB 3.26Å; F4-R8 PolarHBondContact O-N 2.84Å; S5-R8 PolarHBondContact O-N 3.35Å; A6-R8 PolarHBondContact O-N 3.18Å; R8-G12 PolarHBondContact O-N 2.59Å
9W89.2Confident87.5Confident195 Ų195112.1 Ų112.174%0.73957%0.569SS**Hα-helixtrans-63.6-45.9174.6-92.693.4000112.5S5 A6 L11 G12 F13S5-W9 PolarHBondContact O-N 3.26Å; A6-W9 PolarHBondContact O-N 3.16Å; W9-L11 PolarHBondContact O-N 3.06Å; W9-G12 PolarHBondContact O-N 3.17Å; W9-F13 WeakPolarHBondContact O-CB 3.33Å; W9-F13 PolarHBondContact O-N 2.63Å
10M88.9Confident87.4Confident144 Ų144110.7 Ų110.771%0.70956%0.562SS**Hα-helixtrans-61.3-42.6178.1-71.1-71.9-76.400112.3A6 L7 G14A6-M10 VanDerWaalsContact O-CG 3.29Å; A6-M10 WeakPolarHBondContact O-CG 3.31Å; A6-M10 PolarHBondContact O-N 2.95Å; L7-M10 PolarHBondContact O-N 3.3Å; M10-G14 PolarHBondContact O-N 3.03Å
11L89.4Confident87.4Confident117 Ų117109.3 Ų109.361%0.61356%0.556SS**Hα-helixtrans-67.9-43.3176.8-70.8170.4000112L7 W9 G14 A15L7-L11 HydrophobicContact CD1-CD1 4.32Å; L7-L11 HydrophobicContact CD1-CG 4.4Å; L7-L11 HydrophobicContact CG-CD1 4.14Å; L7-L11 WeakPolarHBondContact O-CB 3.36Å; L7-L11 WeakPolarHBondContact O-CG 3.5Å; L7-L11 PolarHBondContact O-N 3.24Å; W9-L11 PolarHBondContact O-N 3.06Å; L11-G14 PolarHBondContact O-N 3.14Å; L11-A15 WeakPolarHBondContact O-CB 3.2Å; L11-A15 PolarHBondContact O-N 3.19Å
12G88.5Confident88.2Confident43 Ų43101.3 Ų101.344%0.44352%0.517SS..Hα-helixtrans-62.2-47.5176.500000112.5R8 W9 A15 H16R8-G12 PolarHBondContact O-N 2.59Å; W9-G12 PolarHBondContact O-N 3.17Å; G12-A15 PolarHBondContact O-N 2.85Å; G12-H16 WeakPolarHBondContact O-CB 3.46Å; G12-H16 PolarHBondContact O-N 3Å
13F89.3Confident87.9Confident143 Ų143105.5 Ų105.563%0.62752%0.522SS*.Hα-helixtrans-64.4-41.5177.2-170.3-95.2000112W9 H16 L17W9-F13 WeakPolarHBondContact O-CB 3.33Å; W9-F13 PolarHBondContact O-N 2.63Å; F13-H16 PolarHBondContact O-N 2.66Å; F13-L17 HydrophobicContact CE1-CD2 4.48Å; F13-L17 VanDerWaalsContact O-CB 3.3Å; F13-L17 WeakPolarHBondContact O-CB 3.35Å; F13-L17 PolarHBondContact O-N 3.31Å
14G90.7Very high87.3Confident36 Ų36104.1 Ų104.137%0.37152%0.521SS..Hα-helixtrans-61-44.4175.800000113.1M10 L11 L18M10-G14 PolarHBondContact O-N 3.03Å; L11-G14 PolarHBondContact O-N 3.14Å; G14-L18 WeakPolarHBondContact O-CB 3.32Å; G14-L18 PolarHBondContact O-N 2.9Å
15A88Confident86.8Confident56 Ų5699.6 Ų99.646%0.46350%0.504SS..Hα-helixtrans-64.1-43.1174.900000112L11 G12 L17 L18 Y19L11-A15 WeakPolarHBondContact O-CB 3.2Å; L11-A15 PolarHBondContact O-N 3.19Å; G12-A15 PolarHBondContact O-N 2.85Å; A15-L17 PolarHBondContact O-N 3.03Å; A15-L18 PolarHBondContact O-N 2.92Å; A15-Y19 WeakPolarHBondContact O-CB 3.42Å; A15-Y19 PolarHBondContact O-N 2.98Å
16H86.1Confident85.9Confident121 Ų121103.4 Ų103.456%0.5652%0.515SS*.Hα-helixtrans-68.6-34.6-179.4-148-49.7000112.7G12 F13 L20G12-H16 WeakPolarHBondContact O-CB 3.46Å; G12-H16 PolarHBondContact O-N 3Å; F13-H16 PolarHBondContact O-N 2.66Å; H16-L20 WeakPolarHBondContact O-CG 3.37Å; H16-L20 PolarHBondContact O-N 3.33Å; H16-L20 VanDerWaalsContact O-N 3.11Å
17L89.3Confident84.6Confident85 Ų85103.3 Ų103.345%0.44552%0.519SS..Hα-helixtrans-69.1-43.1172.7-178.263.2000111.4F13 A15 Y19 L20 I21F13-L17 HydrophobicContact CE1-CD2 4.48Å; F13-L17 VanDerWaalsContact O-CB 3.3Å; F13-L17 WeakPolarHBondContact O-CB 3.35Å; F13-L17 PolarHBondContact O-N 3.31Å; A15-L17 PolarHBondContact O-N 3.03Å; L17-Y19 PolarHBondContact O-N 3.5Å; L17-L20 PolarHBondContact O-N 2.92Å; L17-I21 HydrophobicContact CD1-CD1 4.43Å; L17-I21 HydrophobicContact CG-CD1 4.1Å; L17-I21 WeakPolarHBondContact O-CG1 3.44Å; L17-I21 PolarHBondContact O-N 3.4Å
18L89.4Confident83Confident103 Ų103105.3 Ų105.354%0.53953%0.533SS..Hα-helixtrans-61.8-42.7175.4-178.862000111.5G14 A15 L20 I21 L22G14-L18 WeakPolarHBondContact O-CB 3.32Å; G14-L18 PolarHBondContact O-N 2.9Å; A15-L18 PolarHBondContact O-N 2.92Å; L18-L20 PolarHBondContact O-N 3.21Å; L18-I21 PolarHBondContact O-N 2.86Å; L18-L22 HydrophobicContact CD1-CD1 4.36Å; L18-L22 HydrophobicContact CD1-CG 4.44Å; L18-L22 HydrophobicContact CG-CD1 4.05Å; L18-L22 WeakPolarHBondContact O-CB 3.41Å; L18-L22 WeakPolarHBondContact O-CG 3.37Å; L18-L22 PolarHBondContact O-N 3.44Å
19Y85.5Confident81.3Confident83 Ų83100.9 Ų100.933%0.32552%0.52SS..Hα-helixtrans-59.3-44173.5175-92.2000112.1A15 L17 L22 R23A15-Y19 WeakPolarHBondContact O-CB 3.42Å; A15-Y19 PolarHBondContact O-N 2.98Å; L17-Y19 PolarHBondContact O-N 3.5Å; Y19-L22 PolarHBondContact O-N 2.98Å; Y19-R23 VanDerWaalsContact O-CB 3.23Å; Y19-R23 WeakPolarHBondContact O-CB 3.32Å; Y19-R23 PolarHBondContact O-N 3.3Å; Y19-R23 PolarHBondContact OH-NH1 3.41Å
20L86.3Confident79.4Confident85 Ų85101 Ų10145%0.44553%0.526SS..Hα-helixtrans-64.3-40.1176.3-74169.3000112.3H16 L17 L18 R23 L24H16-L20 WeakPolarHBondContact O-CG 3.37Å; H16-L20 PolarHBondContact O-N 3.33Å; H16-L20 VanDerWaalsContact O-N 3.11Å; L17-L20 PolarHBondContact O-N 2.92Å; L18-L20 PolarHBondContact O-N 3.21Å; L20-R23 PolarHBondContact O-N 3.13Å; L20-L24 WeakPolarHBondContact O-CB 3.37Å; L20-L24 WeakPolarHBondContact O-CG 3.35Å; L20-L24 PolarHBondContact O-N 2.95Å
21I86.1Confident76.9Confident82 Ų8297.4 Ų97.442%0.42153%0.526SS..Hα-helixtrans-63.5-47.7174.9-68.9164.6000110.7L17 L18 R23 L24 L25L17-I21 HydrophobicContact CD1-CD1 4.43Å; L17-I21 HydrophobicContact CG-CD1 4.1Å; L17-I21 WeakPolarHBondContact O-CG1 3.44Å; L17-I21 PolarHBondContact O-N 3.4Å; L18-I21 PolarHBondContact O-N 2.86Å; I21-R23 PolarHBondContact O-N 3.26Å; I21-L24 PolarHBondContact O-N 3.31Å; I21-L25 HydrophobicContact CG2-CD1 4.04Å; I21-L25 VanDerWaalsContact O-CG 3.3Å; I21-L25 WeakPolarHBondContact O-CG 3.3Å; I21-L25 PolarHBondContact O-N 3.46Å
22L84.8Confident74.4Confident64 Ų6496.1 Ų96.134%0.33553%0.533SS..Hα-helixtrans-61-43.7176.5-72166.7000111.5L18 Y19 L24 L25 F26L18-L22 HydrophobicContact CD1-CD1 4.36Å; L18-L22 HydrophobicContact CD1-CG 4.44Å; L18-L22 HydrophobicContact CG-CD1 4.05Å; L18-L22 WeakPolarHBondContact O-CB 3.41Å; L18-L22 WeakPolarHBondContact O-CG 3.37Å; L18-L22 PolarHBondContact O-N 3.44Å; Y19-L22 PolarHBondContact O-N 2.98Å; L22-L24 VanDerWaalsContact C-N 3.35Å; L22-L24 PolarHBondContact O-N 2.82Å; L22-L25 PolarHBondContact O-N 3.21Å; L22-F26 HydrophobicContact CD2-CE2 4.21Å; L22-F26 VanDerWaalsContact O-CD2 3.29Å; L22-F26 WeakPolarHBondContact O-CD2 3.42Å; L22-F26 PolarHBondContact O-N 3.46Å
23R79.1Confident71.9Confident160 Ų160103.1 Ų103.160%0.60455%0.551SS**Hα-helixtrans-68.1-31.2179-173168.2174.9165.4-5.3112.9Y19 L20 I21 G27Y19-R23 VanDerWaalsContact O-CB 3.23Å; Y19-R23 WeakPolarHBondContact O-CB 3.32Å; Y19-R23 PolarHBondContact O-N 3.3Å; Y19-R23 PolarHBondContact OH-NH1 3.41Å; L20-R23 PolarHBondContact O-N 3.13Å; I21-R23 PolarHBondContact O-N 3.26Å; R23-G27 WeakPolarHBondContact O-CA 3.2Å; R23-G27 PolarHBondContact O-N 3.44Å
24L77.9Confident69.2Low125 Ų125104.7 Ų104.765%0.65456%0.56SS**Hα-helixtrans-67.7-46.8169-80164.4000111.4L20 I21 L22 G27 V28L20-L24 WeakPolarHBondContact O-CB 3.37Å; L20-L24 WeakPolarHBondContact O-CG 3.35Å; L20-L24 PolarHBondContact O-N 2.95Å; I21-L24 PolarHBondContact O-N 3.31Å; L22-L24 VanDerWaalsContact C-N 3.35Å; L22-L24 PolarHBondContact O-N 2.82Å; L24-G27 PolarHBondContact O-N 2.89Å; L24-V28 WeakPolarHBondContact O-CG2 3.3Å; L24-V28 PolarHBondContact O-N 3.48Å; L24-V28 VanDerWaalsContact O-N 3.16Å
25L78.2Confident66.5Low69 Ų69108.5 Ų108.536%0.36158%0.576SS.*Hα-helixtrans-60.3-55.6178.4-70.3170.2000111.6I21 L22 G27 V28 F29I21-L25 HydrophobicContact CG2-CD1 4.04Å; I21-L25 VanDerWaalsContact O-CG 3.3Å; I21-L25 WeakPolarHBondContact O-CG 3.3Å; I21-L25 PolarHBondContact O-N 3.46Å; L22-L25 PolarHBondContact O-N 3.21Å; L25-G27 VanDerWaalsContact C-N 3.33Å; L25-G27 PolarHBondContact O-N 2.92Å; L25-V28 PolarHBondContact O-N 2.86Å; L25-F29 WeakPolarHBondContact O-CD2 3.33Å
26F69.7Low63.9Low127 Ų127112.2 Ų112.256%0.55759%0.588SS**Hα-helixtrans-69.9-27.6178.7-72.6-68.7000113.3L22 V28 F29 K30L22-F26 HydrophobicContact CD2-CE2 4.21Å; L22-F26 VanDerWaalsContact O-CD2 3.29Å; L22-F26 WeakPolarHBondContact O-CD2 3.42Å; L22-F26 PolarHBondContact O-N 3.46Å; F26-V28 VanDerWaalsContact C-N 3.32Å; F26-V28 PolarHBondContact O-N 3.13Å; F26-F29 PolarHBondContact O-N 3.43Å; F26-K30 PolarHBondContact O-N 2.96Å
27G60.3Low61.1Low48 Ų48114.5 Ų114.550%0.49560%0.604SS.*Hα-helixtrans-61.8-38.7173.900000112.8R23 L24 L25 F29 K30R23-G27 WeakPolarHBondContact O-CA 3.2Å; R23-G27 PolarHBondContact O-N 3.44Å; L24-G27 PolarHBondContact O-N 2.89Å; L25-G27 VanDerWaalsContact C-N 3.33Å; L25-G27 PolarHBondContact O-N 2.92Å; G27-F29 VanDerWaalsContact C-N 3.3Å; G27-F29 PolarHBondContact O-N 2.84Å; G27-K30 PolarHBondContact O-N 3.36Å
28V57.2Low58.3Low118 Ų118116.2 Ų116.272%0.71562%0.618SS**Hα-helixtrans-67-29.4174.8170.50000112.3L24 L25 F26L24-V28 WeakPolarHBondContact O-CG2 3.3Å; L24-V28 PolarHBondContact O-N 3.48Å; L24-V28 VanDerWaalsContact O-N 3.16Å; L25-V28 PolarHBondContact O-N 2.86Å; F26-V28 VanDerWaalsContact C-N 3.32Å; F26-V28 PolarHBondContact O-N 3.13Å
29F52.7Low55.4Low114 Ų114114.7 Ų114.750%0.563%0.627SS.*Hα-helixtrans-82.4-10.2177.8-73.2-69.2000114.7L25 F26 G27 G31 A32L25-F29 WeakPolarHBondContact O-CD2 3.33Å; F26-F29 PolarHBondContact O-N 3.43Å; G27-F29 VanDerWaalsContact C-N 3.3Å; G27-F29 PolarHBondContact O-N 2.84Å; F29-G31 PolarHBondContact O-N 3.38Å; F29-A32 PolarHBondContact O-N 3.24Å; F29-A32 VanDerWaalsContact O-N 3.14Å
30K49.2Very low52.7Low197 Ų197116.7 Ų116.786%0.85765%0.648SS**THydrogen-bonded Turntrans-71.66-177.3-117.1-170.6179.8-166.50115.6F26 G27F26-K30 PolarHBondContact O-N 2.96Å; G27-K30 PolarHBondContact O-N 3.36Å
31G37.1Very low50.2Low70 Ų70117.4 Ų117.472%0.72266%0.66SS**THydrogen-bonded Turntrans-94.4-0.2169.500000114.9F29 K33F29-G31 PolarHBondContact O-N 3.38Å; G31-K33 VanDerWaalsContact C-N 3.35Å; G31-K33 PolarHBondContact O-N 3.16Å
32A36.2Very low47.7Very low90 Ų90119.9 Ų119.974%0.74468%0.679SS**  trans-69.789.9174.500000110.3F29 E34F29-A32 PolarHBondContact O-N 3.24Å; F29-A32 VanDerWaalsContact O-N 3.14Å; A32-E34 PolarHBondContact O-N 3.47Å
33K37.4Very low45.2Very low189 Ų189123.7 Ų123.782%0.82270%0.7SS**  trans-59.2134.2179.1-167.7177.7-178.7-1770110.1G31 V35G31-K33 VanDerWaalsContact C-N 3.35Å; G31-K33 PolarHBondContact O-N 3.16Å; K33-V35 PolarHBondContact O-N 2.87Å
34E32.9Very low43.2Very low176 Ų176125.3 Ų125.382%0.82271%0.714SS**  trans-56.1121.6172.1-159156.7-142.900108.9A32A32-E34 PolarHBondContact O-N 3.47Å
35V32.6Very low41.2Very low117 Ų117126.4 Ų126.471%0.70972%0.716SS**  trans-115.4111.7175.8177.80000106.3K33 N37K33-V35 PolarHBondContact O-N 2.87Å; V35-N37 PolarHBondContact O-N 3.45Å
36D33.3Very low39.2Very low133 Ų133130.4 Ų130.471%0.71173%0.73SS**  trans-54.9136.1178-63.7-72.5000111.2V38D36-V38 HydrophobicContact CB-CG2 4.46Å; D36-V38 PolarHBondContact O-N 3.36Å
37N28.9Very low37.7Very low170 Ų170132.5 Ų132.591%0.90975%0.746SS**  trans-74.669175-75.5-56.9000110.5V35 G39V35-N37 PolarHBondContact O-N 3.45Å; N37-G39 VanDerWaalsContact C-N 3.33Å; N37-G39 PolarHBondContact O-N 3.14Å
38V30.3Very low36.4Very low121 Ų121134.9 Ų134.973%0.73376%0.755SS**  trans-66.896.1164.3-179.20000107.3D36 T40D36-V38 HydrophobicContact CB-CG2 4.46Å; D36-V38 PolarHBondContact O-N 3.36Å; V38-T40 PolarHBondContact O-N 3.32Å
39G28.5Very low35.4Very low70 Ų70135.7 Ų135.772%0.72276%0.761SS**  trans-65.999.2-179.100000111.3N37 S41N37-G39 VanDerWaalsContact C-N 3.33Å; N37-G39 PolarHBondContact O-N 3.14Å; G39-S41 PolarHBondContact O-N 2.99Å
40T28.7Very low34.4Very low125 Ų125133.5 Ų133.577%0.76777%0.77SS**  trans-74.392.4172.151.20000110V38V38-T40 PolarHBondContact O-N 3.32Å
41S33Very low33.8Very low101 Ų101131.8 Ų131.871%0.70677%0.771SS**  trans-59.8134.3156.946.40000109.2G39 D43G39-S41 PolarHBondContact O-N 2.99Å; S41-D43 PolarHBondContact O-N 3.45Å
42V33.3Very low33.9Very low133 Ų133136.1 Ų136.181%0.80677%0.772SS**  trans-84.8108.51771780000108.3
43D33.5Very low33.8Very low145 Ų145137.8 Ų137.878%0.77578%0.775SS**  trans-78.4119.2166-83.4-46.9000109.8S41 E45S41-D43 PolarHBondContact O-N 3.45Å; D43-E45 PolarHBondContact O-N 3.18Å
44E36.8Very low33.6Very low194 Ų194139.4 Ų139.491%0.90778%0.776SS**  trans-80.794.9167-70.3-167.7139.400109.7
45E36.2Very low33.7Very low147 Ų147136.7 Ų136.769%0.68778%0.777SS**  trans-105.9103.7175.9-147-137.1145.900112.4D43D43-E45 PolarHBondContact O-N 3.18Å
46K35.4Very low33.5Very low154 Ų154135.5 Ų135.567%0.6778%0.779SS**  trans140.1104.2130.3-75.5-180171.587.30113.6
47L38.5Very low33.5Very low170 Ų170138.3 Ų138.389%0.8979%0.785SS**  -155.7105.5127-107.5159.9000110.3
48S33.8Very low33.8Very low98 Ų98137.4 Ų137.469%0.68579%0.785SS**  trans-40.7153.216557.90000114
49T35.6Very low33.8Very low135 Ų135139.7 Ų139.783%0.82879%0.785SS**  cis-157.6152.835.647.50000113
50G30.8Very low33.9Very low68 Ų68142.1 Ų142.170%0.70178%0.778SS**  trans121.8128.9139.300000119.5
51N37.6Very low33.9Very low162 Ų162145.9 Ų145.987%0.86678%0.778SS**  trans75.9100.3150.4-58.3-7.2000121.7
52E37.7Very low33.9Very low161 Ų161149.7 Ų149.775%0.75279%0.79SS**  trans64.5124.7144.7-63.5-147.3113.300122.6
53P34.8Very low33.8Very low125 Ų125147.1 Ų147.181%0.81278%0.783SS**  trans-103.9126.1170.536.4-29.1000114.3
54R34Very low33.8Very low222 Ų222149.2 Ų149.284%0.83879%0.788SS**  trans-147142.5160.5-62.3-174-171.6177.76.2107.9
55S34.6Very low33.9Very low119 Ų119145.6 Ų145.683%0.83278%0.781SS**  cis-151.8152.81.549.90000110.8
56A29.2Very low33.6Very low92 Ų92147.9 Ų147.976%0.7679%0.792SS**  trans-90.2138.5170.800000111.5
57K31.6Very low33.2Very low193 Ų193142.8 Ų142.884%0.83978%0.782SS**  trans169.998.2144.8-98.4169.9-179.6-176.90112.6
58V36.6Very low32.7Very low150 Ų150141.5 Ų141.591%0.90978%0.782SS**  trans-139.973.1143-170.10000108.4
59F29.9Very low32.5Very low169 Ų169147.5 Ų147.574%0.74179%0.791SS**  trans-73.4163.1153.9-83-127.7000106.9
60E30.2Very low32.1Very low122 Ų122145.6 Ų145.657%0.5778%0.784SS**  cis-162.5172.913.7-137.9168.9145.400113.2
61R28.4Very low32.1Very low203 Ų203147.8 Ų147.877%0.76679%0.788SS**  trans37.5115.9151.1-79172.5-132.6-162.76.5119.7
62L33.7Very low31.6Very low182 Ų182150.9 Ų150.995%0.95379%0.788SS**  -138.5144.8111.7-109.2166000108.2
63A31.3Very low31.1Very low79 Ų79150.9 Ų150.965%0.65379%0.789SS**  trans-144.5155.3-165.400000113
64Q34.1Very low30.8Very low189 Ų189151.6 Ų151.688%0.88379%0.786SS**  trans66.4162.7172.2-69.1-176-23.100116.7
65P37.1Very low30.8Very low117 Ų117147.3 Ų147.376%0.7679%0.785SS**  cis-117.6175.6-4.916.86.9000115G67P65-G67 PolarHBondContact O-N 2.91Å
66E30Very low30.6Very low196 Ų196146 Ų14692%0.91678%0.781SS**  trans-26.3117.9166.6-60169.8163.900116
67G28.1Very low30.8Very low46 Ų46144.6 Ų144.647%0.47477%0.766SS.*  trans-129.7104.8168.300000110.5P65 Y69P65-G67 PolarHBondContact O-N 2.91Å; G67-Y69 VanDerWaalsContact O-CD2 3.26Å; G67-Y69 WeakPolarHBondContact O-CD2 3.29Å; G67-Y69 PolarHBondContact O-N 2.95Å
68T27Very low30.7Very low144 Ų144138.2 Ų138.288%0.88375%0.754SS**  trans-77.667.8-175.8-43.90000111.5S70T68-S70 VanDerWaalsContact C-N 3.34Å; T68-S70 PolarHBondContact O-N 3.29Å
69Y30.2Very low30.3Very low223 Ų223137.1 Ų137.188%0.87574%0.739SS**  trans-72.484.7-176.3-74.7-74.1000112.3G67 S71G67-Y69 VanDerWaalsContact O-CD2 3.26Å; G67-Y69 WeakPolarHBondContact O-CD2 3.29Å; G67-Y69 PolarHBondContact O-N 2.95Å; Y69-S71 PolarHBondContact O-N 3.33Å
70S27.3Very low30.4Very low96 Ų96136.3 Ų136.367%0.67174%0.742SS**  trans-57.2108.8166.1-177.70000109.6T68 R72T68-S70 VanDerWaalsContact C-N 3.34Å; T68-S70 PolarHBondContact O-N 3.29Å; S70-R72 VanDerWaalsContact C-N 3.25Å; S70-R72 PolarHBondContact O-N 2.97Å
71S30Very low30.3Very low113 Ų113138.4 Ų138.479%0.7975%0.75SS**  trans-66.887.1169.3-174.90000109.2Y69 M73Y69-S71 PolarHBondContact O-N 3.33Å; S71-M73 PolarHBondContact O-N 3.5Å
72R27.6Very low30.5Very low228 Ų228138.2 Ų138.286%0.8675%0.75SS**  trans-70.885.7170.2-81.8-170.3170.2-172.3-1.8108.8S70 N74S70-R72 VanDerWaalsContact C-N 3.25Å; S70-R72 PolarHBondContact O-N 2.97Å; R72-N74 PolarHBondContact O-N 3.25Å
73M28.3Very low30.3Very low161 Ų161136.1 Ų136.179%0.79375%0.748SS**  trans-54.996.2171.1-159.3-180-162.500109.1S71 V75S71-M73 PolarHBondContact O-N 3.5Å; M73-V75 HydrophobicContact CG-CG2 4.26Å; M73-V75 VanDerWaalsContact O-CG2 3.24Å; M73-V75 WeakPolarHBondContact O-CG2 3.23Å; M73-V75 PolarHBondContact O-N 3.47Å; M73-V75 VanDerWaalsContact O-N 3.13Å
74N27.9Very low30.2Very low139 Ų139135.4 Ų135.474%0.74375%0.747SS**  trans-86.586.5-177.6-151.410.1000108.2R72 A76R72-N74 PolarHBondContact O-N 3.25Å; N74-A76 PolarHBondContact O-N 3.32Å
75V33.7Very low29.9Very low133 Ų133129.5 Ų129.581%0.80674%0.737SS**THydrogen-bonded Turntrans-69.522.2-164.2-157.50000114.1M73M73-V75 HydrophobicContact CG-CG2 4.26Å; M73-V75 VanDerWaalsContact O-CG2 3.24Å; M73-V75 WeakPolarHBondContact O-CG2 3.23Å; M73-V75 PolarHBondContact O-N 3.47Å; M73-V75 VanDerWaalsContact O-N 3.13Å
76A29.5Very low29.4Very low91 Ų91132.4 Ų132.475%0.75275%0.746SS**THydrogen-bonded Turntrans-109.5-25.1-170.300000115.1N74N74-A76 PolarHBondContact O-N 3.32Å
77S33.4Very low29.3Very low63 Ų63128.6 Ų128.644%0.44173%0.73SS.*SBendtrans-102.1-31.2-175.659.90000115E79S77-E79 PolarHBondContact O-N 2.91Å
78G29.8Very low29.3Very low58 Ų58133.6 Ų133.660%0.59875%0.746SS**  trans72.11.2-176.100000115.1
79E29.7Very low29.6Very low128 Ų128136 Ų13660%0.59874%0.739SS**  trans-83.1118.3-175.4-67.8-179.6133.500112.2S77 F81S77-E79 PolarHBondContact O-N 2.91Å; E79-F81 VanDerWaalsContact C-N 3.29Å; E79-F81 HydrophobicContact CB-CD2 3.85Å; E79-F81 HydrophobicContact CB-CE2 3.71Å; E79-F81 PolarHBondContact O-N 3.48Å; E79-F81 WeakPolarHBondContact OE2-CE2 3.33Å
80L31.4Very low29.7Very low152 Ų152136.7 Ų136.780%0.79674%0.74SS**  trans-75.777.9171.9-101.3160.4000110.5Y82L80-Y82 PolarHBondContact O-N 3.44Å
81F28.5Very low30Very low166 Ų166138 Ų13873%0.72874%0.737SS**  trans-65103.6170.8-84.1-87.9000110.9E79E79-F81 VanDerWaalsContact C-N 3.29Å; E79-F81 HydrophobicContact CB-CD2 3.85Å; E79-F81 HydrophobicContact CB-CE2 3.71Å; E79-F81 PolarHBondContact O-N 3.48Å; E79-F81 WeakPolarHBondContact OE2-CE2 3.33Å
82Y32.6Very low30.1Very low198 Ų198136.7 Ų136.778%0.77673%0.726SS**  trans-72.5127.1162.1-86.8-91.8000109.6L80 G84L80-Y82 PolarHBondContact O-N 3.44Å; Y82-G84 PolarHBondContact O-N 2.84Å
83P29.1Very low30.9Very low139 Ų139130.7 Ų130.790%0.90373%0.725SS**SBendtrans-76.970.617432.4-34.7000110.4
84G30.1Very low31.2Very low63 Ų63129.8 Ų129.865%0.64972%0.724SS**  trans-145.6106.6177.100000109.4Y82Y82-G84 PolarHBondContact O-N 2.84Å
85G26.4Very low31.3Very low65 Ų65127.1 Ų127.167%0.6771%0.712SS**  trans-64.8167.6-17000000114.9I87G85-I87 PolarHBondContact O-N 3.4Å; G85-I87 VanDerWaalsContact O-N 3.16Å
86L26.5Very low31.1Very low178 Ų178126.5 Ų126.593%0.93271%0.714SS**  trans-46.8117.9-178.8-69114000112.7
87I29.2Very low31.2Very low116 Ų116132.5 Ų132.560%0.59572%0.717SS**  trans-105.574.6167.5-57.8-170000108.2G85 R89G85-I87 PolarHBondContact O-N 3.4Å; G85-I87 VanDerWaalsContact O-N 3.16Å; I87-R89 HydrophobicContact CG2-CB 3.99Å; I87-R89 HydrophobicContact CG2-CG 3.46Å; I87-R89 VanDerWaalsContact CG2-CG 3.46Å; I87-R89 PolarHBondContact O-N 2.88Å; I87-R89 VanDerWaalsContact O-N 3.09Å
88D27.9Very low31Very low151 Ų151134.9 Ų134.981%0.80773%0.734SS**  trans-70.695.8159.5-178.313.7000107.9
89R33Very low31.1Very low195 Ų195138.1 Ų138.174%0.73674%0.742SS**  trans-118.9101176.6-83.4-178.9-169.91596.8110.6I87 M91I87-R89 HydrophobicContact CG2-CB 3.99Å; I87-R89 HydrophobicContact CG2-CG 3.46Å; I87-R89 VanDerWaalsContact CG2-CG 3.46Å; I87-R89 PolarHBondContact O-N 2.88Å; I87-R89 VanDerWaalsContact O-N 3.09Å; R89-M91 PolarHBondContact O-N 3.42Å
90R30.9Very low31.4Very low237 Ų237137.9 Ų137.989%0.89475%0.751SS**  trans-44.6121.6143-70-176.6173.1-153.6-1.8108.4
91M34.3Very low31.4Very low125 Ų125143.2 Ų143.262%0.61676%0.761SS**  trans-65.9127.7176.2-167.6162.7177.200108.6R89 V95R89-M91 PolarHBondContact O-N 3.42Å; M91-V95 HydrophobicContact CE-CB 3.81Å; M91-V95 HydrophobicContact CE-CG1 3.67Å; M91-V95 HydrophobicContact CG-CB 4.48Å
92P33Very low31.8Very low84 Ų84137.9 Ų137.955%0.54575%0.753SS.*  trans-60.2143.4175.2-20.431.4000110.4D94 V95P92-D94 PolarHBondContact O-N 2.9Å; P92-D94 VanDerWaalsContact O-N 3.07Å; P92-V95 HydrophobicContact CB-CG2 4.08Å; P92-V95 HydrophobicContact CG-CG2 4.2Å; P92-V95 PolarHBondContact O-N 2.88Å
93A42.9Very low32Very low103 Ų103134.1 Ų134.185%0.85175%0.753SS**THydrogen-bonded Turntrans-60-24.6-172.300000113.6
94D35.3Very low32.4Very low142 Ų142133.4 Ų133.476%0.75975%0.748SS**THydrogen-bonded Turntrans-93.10.6-169.5-42.8-70.6000114P92 S96P92-D94 PolarHBondContact O-N 2.9Å; P92-D94 VanDerWaalsContact O-N 3.07Å; D94-S96 VanDerWaalsContact C-N 3.33Å; D94-S96 PolarHBondContact O-N 3.42Å
95V30.5Very low32.7Very low82 Ų82135.9 Ų135.950%0.49776%0.755SS.*  trans-79.480.1-177.7-1730000111.2M91 P92 R97M91-V95 HydrophobicContact CE-CB 3.81Å; M91-V95 HydrophobicContact CE-CG1 3.67Å; M91-V95 HydrophobicContact CG-CB 4.48Å; P92-V95 HydrophobicContact CB-CG2 4.08Å; P92-V95 HydrophobicContact CG-CG2 4.2Å; P92-V95 PolarHBondContact O-N 2.88Å; V95-R97 PolarHBondContact O-N 2.92Å
96S29.6Very low33.3Very low120 Ų120139.1 Ų139.184%0.83975%0.753SS**  trans-63.6101.3175.8-69.40000111.9D94 S98D94-S96 VanDerWaalsContact C-N 3.33Å; D94-S96 PolarHBondContact O-N 3.42Å; S96-S98 PolarHBondContact O-N 2.88Å
97R31.1Very low33.6Very low218 Ų218134 Ų13482%0.82373%0.73SS**  trans-80103.5179.2-161.8179-162.81766110.5V95 T99V95-R97 PolarHBondContact O-N 2.92Å; R97-T99 PolarHBondContact O-N 3.49Å
98S29Very low33.6Very low113 Ų113132.2 Ų132.279%0.7972%0.724SS**  trans-62.9105.2176.742.20000111.6S96 P100S96-S98 PolarHBondContact O-N 2.88Å; S98-P100 WeakPolarHBondContact O-CD 3.29Å
99T32.8Very low33.7Very low126 Ų126128.4 Ų128.477%0.77371%0.707SS**  trans-80.2115.417316.60000110.2R97 R101R97-T99 PolarHBondContact O-N 3.49Å; T99-R101 PolarHBondContact O-N 3.44Å
100P35.9Very low33.4Very low122 Ų122126.1 Ų126.179%0.79270%0.704SS**  trans-68.4115.817427.6-32.8000109.6S98 G102S98-P100 WeakPolarHBondContact O-CD 3.29Å; P100-G102 PolarHBondContact O-N 2.95Å
101R29.9Very low33.4Very low264 Ų264119.3 Ų119.3100%0.99669%0.689SS**  trans-70.880.3166.6-78.7-176.3170.7-179.9-2.5109.4T99T99-R101 PolarHBondContact O-N 3.44Å
102G37.6Very low34Very low55 Ų55116.4 Ų116.457%0.56769%0.691SS**  trans-113.7155.4171.800000112P100P100-G102 PolarHBondContact O-N 2.95Å
103P36.1Very low33.8Very low119 Ų119124.1 Ų124.177%0.77371%0.709SS**  trans-62.1154.8169.428.9-34.9000110.7S105P103-S105 PolarHBondContact O-N 3.11Å
104P37.3Very low33Very low124 Ų124125.7 Ų125.781%0.80570%0.699SS**  trans-63.2109.2-172.225.1-34.6000111.5H106P104-H106 PolarHBondContact O-N 3.31Å
105S38.1Very low32.6Very low114 Ų114123 Ų12380%0.79769%0.688SS**  trans-62131174.344.50000110.1P103P103-S105 PolarHBondContact O-N 3.11Å
106H37.2Very low32.4Very low133 Ų133121.7 Ų121.762%0.61668%0.68SS**  trans-60144.2178.9-61.2-41.9000110.8P104 V108P104-H106 PolarHBondContact O-N 3.31Å; H106-V108 PolarHBondContact O-N 3.29Å
107P33.7Very low32.4Very low72 Ų72121.8 Ų121.847%0.46867%0.667SS.*  trans-64.298.3171.626.6-33.2000109.5W324P107-W324 HydrophobicContact CG-CE3 4.19Å; P107-W324 HydrophobicContact CG-CH2 4.19Å; P107-W324 HydrophobicContact CG-CZ3 3.62Å
108V28.9Very low32.4Very low77 Ų77116 Ų11647%0.46765%0.651SS.*EExtended strand (participates in β ladder)trans-75.8121.6174163.80000108.3H106 T115H106-V108 PolarHBondContact O-N 3.29Å; V108-T115 HydrophobicContact CG1-CG2 3.51Å; V108-T115 HydrophobicContact CG2-CG2 4.19Å
109V29.5Very low32.4Very low72 Ų72119 Ų11944%0.43665%0.652SS.*EExtended strand (participates in β ladder)trans-101.6110.4166-1750000107.2V111 V116 I118V109-V111 HydrophobicContact CG1-CG2 4Å; V109-V116 PolarHBondContact N-O 2.92Å; V109-V116 PolarHBondContact O-N 2.78Å; V109-V116 VanDerWaalsContact O-N 3.12Å; V109-I118 HydrophobicContact CG2-CD1 4.31Å
110Q26.6Very low32.5Very low146 Ų146119.9 Ų119.968%0.68265%0.652SS**EExtended strand (participates in β ladder)trans-80.2121.9175.3-169.4173.312.900109
111V32.7Very low32.2Very low94 Ų94125.2 Ų125.257%0.5766%0.656SS**EExtended strand (participates in β ladder)trans-120.587.1-178.1-174.30000108.1V109 R113 E114 V116V109-V111 HydrophobicContact CG1-CG2 4Å; V111-R113 PolarHBondContact O-N 3.48Å; V111-E114 PolarHBondContact N-O 3.07Å; V111-E114 PolarHBondContact O-N 3.12Å; V111-V116 HydrophobicContact CG2-CG2 4.4Å
112G45.2Very low32.4Very low64 Ų64116.3 Ų116.366%0.6665%0.646SS**THydrogen-bonded Turntrans66.1-123.6-169.700000111.1
113R29.6Very low32.2Very low247 Ų247120.5 Ų120.593%0.93266%0.661SS**THydrogen-bonded Turntrans-84.5-6.8178-68.7-173.8177-173.4-2114.2V111V111-R113 PolarHBondContact O-N 3.48Å
114E25.5Very low32Very low135 Ų135124.5 Ų124.563%0.63166%0.661SS**EExtended strand (participates in β ladder)trans-103.7135.5-177.2-68.9-171.9174.300112.9V111V111-E114 PolarHBondContact N-O 3.07Å; V111-E114 PolarHBondContact O-N 3.12Å
115T26.9Very low31.7Very low86 Ų86129.9 Ų129.953%0.52867%0.665SS.*EExtended strand (participates in β ladder)trans-95.3106179.5-510000109.1V108V108-T115 HydrophobicContact CG1-CG2 3.51Å; V108-T115 HydrophobicContact CG2-CG2 4.19Å
116V27.4Very low31.4Very low55 Ų55135.2 Ų135.233%0.33367%0.668SS.*EExtended strand (participates in β ladder)trans-106.6115.7-172.9-173.20000111.5V109 V111 I118V109-V116 PolarHBondContact N-O 2.92Å; V109-V116 PolarHBondContact O-N 2.78Å; V109-V116 VanDerWaalsContact O-N 3.12Å; V111-V116 HydrophobicContact CG2-CG2 4.4Å; V116-I118 HydrophobicContact CG1-CG1 4.05Å
117H30.1Very low31.3Very low121 Ų121136.2 Ų136.256%0.5668%0.676SS**EExtended strand (participates in β ladder)trans-83.4119.1170.3-63.4-77.9000110.5
118I29.9Very low31.1Very low96 Ų96139.9 Ų139.949%0.49269%0.691SS.*  trans-108.5108-178.4-55.9178.5000109.9V109 V116 L120V109-I118 HydrophobicContact CG2-CD1 4.31Å; V116-I118 HydrophobicContact CG1-CG1 4.05Å; I118-L120 HydrophobicContact CG2-CD2 3.88Å; I118-L120 HydrophobicContact CG2-CG 4.17Å
119Q30.1Very low31.4Very low176 Ų176141.4 Ų141.482%0.82271%0.705SS**  trans-97.3108.9178.2-162.8-178.57500110.7
120L34Very low31.6Very low145 Ų145143.3 Ų143.376%0.75972%0.721SS**  trans-95.2106-177.3-63.3179000111.8I118 G122I118-L120 HydrophobicContact CG2-CD2 3.88Å; I118-L120 HydrophobicContact CG2-CG 4.17Å; L120-G122 PolarHBondContact O-N 3.31Å
121R30.7Very low31.7Very low235 Ų235144.4 Ų144.489%0.88773%0.732SS**  trans-79.8112.7167.8-73.1-172.8175.8-163.9-1.6110.6
122G34Very low32Very low76 Ų76145.6 Ų145.678%0.78475%0.745SS**  trans-102.7123173.400000112.5L120L120-G122 PolarHBondContact O-N 3.31Å
123T32.2Very low31.6Very low143 Ų143147.4 Ų147.488%0.87775%0.747SS**  trans-88.6114.917341.20000110.7R125T123-R125 PolarHBondContact O-N 3.38Å
124R32.6Very low32.1Very low204 Ų204141.1 Ų141.177%0.7774%0.736SS**PPolyproline II helixtrans-69128.7174-70.6-171.5179.8-156.90.7110.3
125R31.7Very low33Very low237 Ų237143.6 Ų143.689%0.89475%0.748SS**PPolyproline II helixtrans-100.4123.2153.2-74.2-175.4172.2-172.4-3.6107.8T123T123-R125 PolarHBondContact O-N 3.38Å
126R31.7Very low34Very low226 Ų226147.8 Ų147.885%0.85376%0.761SS**PPolyproline II helixtrans-72.7128.9162.3-79.3-179.6170.6161.6-3.9107.4
127I34.8Very low35Very low154 Ų154150.8 Ų150.879%0.7978%0.775SS**  trans-96.5113.6156.2-60.7177.2000104.7
128L30.2Very low35.9Very low148 Ų148153.5 Ų153.578%0.77579%0.786SS**  trans-96.7123.9166.8-64.8171.7000106.3
129S34.1Very low36.8Very low109 Ų109157.9 Ų157.976%0.76280%0.804SS**  trans-120.6124.2166.8-64.70000106
130S34.2Very low37.7Very low113 Ų113157.7 Ų157.779%0.7980%0.803SS**  trans-81.3142.3-162.3-44.40000113.6
131D27.6Very low38.5Very low169 Ų169159 Ų15990%0.90480%0.803SS**  trans-70146.9147.9-58.1-61.8000109.3
132S38.7Very low39.1Very low119 Ų119156.4 Ų156.483%0.83280%0.8SS**  trans-145.7127172.760.20000110
133S38Very low39.7Very low102 Ų102161.6 Ų161.671%0.71380%0.802SS**  trans-105.3-178.1-169.459.40000113.6
134T40.5Very low40.3Very low114 Ų114161.1 Ų161.170%0.69979%0.794SS**  trans64.9122.8148.245.50000119.7
135E44.7Very low40.6Very low187 Ų187157.1 Ų157.187%0.87480%0.796SS**  cis-129.1-105.3-20.5-70.7-166.461.600112.2
136E47.4Very low41.4Very low174 Ų174151.1 Ų151.181%0.81379%0.787SS**  cis-158.9149.4-0.9-157.5-159.3-6400110.9
137D47.4Very low42.2Very low118 Ų118147 Ų14763%0.63179%0.787SS**  trans9.3112.2159-9931.4000122.9
138K50.3Low42.4Very low179 Ų179143.2 Ų143.278%0.77879%0.787SS**  168.3149.694.1-98.1157.1-176.377.50114.8
139E47.7Very low42.6Very low188 Ų188140.1 Ų140.188%0.87979%0.79SS**  trans-86.3149.3171.1-56.8178100.300112.3
140E49.7Very low42.6Very low172 Ų172141.3 Ų141.380%0.80480%0.797SS**  -164121.8121.9-113.2-173.2165.400115.4
141K49.5Very low42.6Very low173 Ų173140.2 Ų140.275%0.75280%0.795SS**  trans17.6108.9150.2-66158.1-170.21520120.9
142E43.7Very low43.2Very low179 Ų179139 Ų13984%0.83680%0.796SS**  42.8117.1108.2-173.9176.1-127.700119.9
143K47.6Very low43Very low186 Ų186142.5 Ų142.581%0.80980%0.797SS**  trans-167.3133.9131.9-110.1173-178.9176.20115.8
144D45Very low42.6Very low133 Ų133142.7 Ų142.771%0.71179%0.793SS**  trans43.192.9145.3-53.9-30.9000121.5
145C37.3Very low42Very low120 Ų120146.3 Ų146.381%0.81180%0.799SS**  17.6158.5112.7-65.40000121.6
146P48.7Very low41.3Very low111 Ų111142.7 Ų142.772%0.72179%0.794SS**  cis-142.9-158.7-38.940.2-21.2000112.1
147T48.9Very low40.3Very low138 Ų138141.9 Ų141.985%0.84780%0.795SS**  trans96.9117.7159-40.20000118.3
148G39Very low39.4Very low76 Ų76144.2 Ų144.278%0.78481%0.805SS**  trans105.7137.6144.400000118.3
149G35Very low38.2Very low82 Ų82141.1 Ų141.185%0.84581%0.807SS**  trans94.393.214800000118.1A151G149-A151 PolarHBondContact O-N 3.46Å
150C33.2Very low37.2Very low134 Ų134138.1 Ų138.191%0.90581%0.806SS**  trans-33.5123.1168.7-58.10000117.8
151A35.6Very low35.9Very low91 Ų91141.1 Ų141.175%0.75281%0.81SS**  trans40.2103.5142.100000119.2G149G149-A151 PolarHBondContact O-N 3.46Å
152P39.4Very low34.6Very low142 Ų142138.8 Ų138.892%0.92281%0.81SS**  trans-72.4161.8174.231.6-35.6000113.3
153K34.5Very low33.8Very low194 Ų194136.9 Ų136.984%0.84381%0.811SS**  trans-124138.5-169-148.2-169-176174.30109.5
154V29.2Very low32.7Very low106 Ų106133.2 Ų133.264%0.64280%0.804SS**  trans81.5118.2156.8-1670000119.9
155K29.1Very low32Very low190 Ų190132.3 Ų132.383%0.82681%0.805SS**  trans54.3121.4148.1-61.7166.5-164.8171.80123
156S29.5Very low31.4Very low110 Ų110134.4 Ų134.477%0.76981%0.807SS**  -148.3148.8116.552.80000107.5
157L25.5Very low30.6Very low158 Ų158133.8 Ų133.883%0.82781%0.805SS**  cis74.587.534.8-77.1173.8000115.4
158I28.2Very low29.6Very low166 Ų166135.5 Ų135.585%0.85181%0.809SS**  trans-177.8126.1151.2-89.4142.6000104.2
159S25.2Very low29.2Very low115 Ų115136.9 Ų136.980%0.80480%0.802SS**  cis90.887.728.5-1630000114.9
160S27Very low28.8Very low124 Ų124141.5 Ų141.587%0.86781%0.806SS**  trans-152.5168159.465.50000110.4
161R23.6Very low28.6Very low236 Ų236139.5 Ų139.589%0.89179%0.793SS**  trans-115.2135.5-155.2-68.8176.1174166.8-3.4115.5
162V22.1Very low28.2Very low124 Ų124143.6 Ų143.675%0.75280%0.797SS**  trans37.7117.2130.7-172.70000119.4
163V25.6Very low27.8Very low139 Ų139148.2 Ų148.284%0.84280%0.796SS**  trans-138.6139.7130.7-178.70000108.2
164V25.6Very low27.5Very low109 Ų109144.7 Ų144.766%0.66179%0.791SS**  trans-124.9123.7173.2176.90000109.1L166V164-L166 PolarHBondContact O-N 3.45Å; V164-L166 VanDerWaalsContact O-N 3.13Å
165P29.1Very low27.7Very low114 Ų114146.6 Ų146.674%0.7480%0.797SS**  trans-71.6104.2174.7-17.932.2000111.6S167P165-S167 PolarHBondContact O-N 2.9Å
166L26.3Very low27.8Very low164 Ų164142.7 Ų142.786%0.85979%0.789SS**  trans-79100.3168.2-77.7167.3000109.7V164V164-L166 PolarHBondContact O-N 3.45Å; V164-L166 VanDerWaalsContact O-N 3.13Å
167S31.5Very low28.2Very low98 Ų98143.8 Ų143.869%0.68579%0.791SS**  trans-138.630.9171.572.20000114.6P165 V169P165-S167 PolarHBondContact O-N 2.9Å; S167-V169 PolarHBondContact O-N 3.11Å
168N28.4Very low28.5Very low174 Ų174142.6 Ų142.693%0.9379%0.79SS**  trans-73.668.4149.9-84.8-0.5000108.5
169V28.8Very low29Very low104 Ų104144 Ų14463%0.6379%0.793SS**  trans-107.796.2175.6178.30000108.2S167S167-V169 PolarHBondContact O-N 3.11Å
170I26.8Very low29.5Very low179 Ų179147 Ų14792%0.91879%0.792SS**  trans-83.2108160.7-56.9171.5000105.4
171S28.9Very low30.2Very low92 Ų92152.6 Ų152.664%0.64379%0.794SS**  trans-143.7131.7174.964.50000110.5
172E27.7Very low30.8Very low178 Ų178147.6 Ų147.683%0.83278%0.78SS**  trans-67147.9-177.3-61.6154.8109.500112.4
173R31.5Very low31.2Very low238 Ų238150 Ų15090%0.89878%0.783SS**  trans-135.787.6154.4-89.1-166.1167.9160.2-1.4111L175R173-L175 PolarHBondContact O-N 3.03Å
174T27.7Very low31.8Very low120 Ų120153.6 Ų153.674%0.73678%0.782SS**  trans-65.3109.4162.616.90000110.4
175L32.8Very low32.2Very low146 Ų146157.5 Ų157.576%0.76479%0.79SS**  trans-143.591.5164.2-77.9173.9000107.1R173R173-L175 PolarHBondContact O-N 3.03Å
176T31.9Very low32.3Very low109 Ų109156.3 Ų156.367%0.66979%0.79SS**  75.4626673.60000116.3
177T37.5Very low32.4Very low133 Ų133156.3 Ų156.382%0.81679%0.791SS**  trans-155.2101.8145.842.90000106.3
178V32.5Very low32.2Very low133 Ų133156.6 Ų156.681%0.80679%0.788SS**  56.982.770.9-1700000112.2
179E39.4Very low32.1Very low195 Ų195160 Ų16091%0.91179%0.788SS**  trans-130.3140.9147.9-168.2164-151.700108.6
180K35.7Very low32.1Very low179 Ų179161.5 Ų161.578%0.77879%0.792SS**  trans-108.2134.7-170.8-69.9176.6175177.50111.3
181R40.8Very low32Very low240 Ų240158.5 Ų158.591%0.90679%0.787SS**  trans154.5144.9148.6-89.1152.5176.4161.4-2.9109.3
182E35.3Very low32.2Very low131 Ų131161 Ų16161%0.61279%0.791SS**  cis-152.5133.2-19.7178.9175.9144.600106.5R184E182-R184 IonicContact OE1-CZ 3.32Å; E182-R184 IonicContact OE1-NE 2.66Å; E182-R184 PolarHBondContact OE1-NE 3.37Å; E182-R184 IonicContact OE1-NH2 2.8Å; E182-R184 PolarHBondContact OE1-NH2 2.87Å
183E31.9Very low32.1Very low174 Ų174157.9 Ų157.981%0.81378%0.784SS**  trans-77.1126.9174.2-68.4-175.6106.700110.9
184R37.1Very low32.1Very low216 Ų216152.3 Ų152.382%0.81578%0.782SS**  trans-136.5126.4149.6-66.1-167.3-171-133.4-3.1111.1E182E182-R184 IonicContact OE1-CZ 3.32Å; E182-R184 IonicContact OE1-NE 2.66Å; E182-R184 PolarHBondContact OE1-NE 3.37Å; E182-R184 IonicContact OE1-NH2 2.8Å; E182-R184 PolarHBondContact OE1-NH2 2.87Å
185K34.2Very low32.4Very low190 Ų190155.3 Ų155.383%0.82678%0.784SS**  trans-75.7149.5179.9-57.9171.6-177.6176.40110.6
186A31.5Very low32.4Very low90 Ų90157.6 Ų157.674%0.74479%0.788SS**  trans-15275.3162.600000110.9V188A186-V188 HydrophobicContact CB-CG2 4.34Å; A186-V188 PolarHBondContact O-N 3.37Å
187D28.4Very low32.4Very low164 Ų164157.9 Ų157.988%0.87779%0.79SS**  trans-64.5109.9159-82.6-63.9000108.5
188V28.1Very low32.2Very low104 Ų104158.8 Ų158.863%0.6379%0.785SS**  trans-125.893.7176.9-179.50000109.8A186 L190A186-V188 HydrophobicContact CB-CG2 4.34Å; A186-V188 PolarHBondContact O-N 3.37Å; V188-L190 HydrophobicContact CG1-CD1 3.72Å; V188-L190 HydrophobicContact CG1-CG 3.72Å; V188-L190 PolarHBondContact O-N 2.91Å
189R25.7Very low32.3Very low246 Ų246159.7 Ų159.793%0.92878%0.784SS**  trans-71.5114.2159.4-73.8177.9169.2-177.2-4.1108.3
190L28.6Very low32.1Very low135 Ų135159 Ų15971%0.70778%0.781SS**  trans-115.186.5168.3-88.3167.3000110.8V188 I192V188-L190 HydrophobicContact CG1-CD1 3.72Å; V188-L190 HydrophobicContact CG1-CG 3.72Å; V188-L190 PolarHBondContact O-N 2.91Å; L190-I192 HydrophobicContact CB-CG1 4.46Å; L190-I192 PolarHBondContact O-N 2.88Å; L190-I192 VanDerWaalsContact O-N 3.15Å
191S25.5Very low32.1Very low115 Ų115154.5 Ų154.580%0.80477%0.772SS**  trans-72.792.4161.951.60000109.2V193S191-V193 PolarHBondContact O-N 3.46Å
192I31.7Very low32Very low144 Ų144149.4 Ų149.474%0.73876%0.763SS**  trans-84.6107.1174.7-62.1-178.8000108.9L190 S194L190-I192 HydrophobicContact CB-CG1 4.46Å; L190-I192 PolarHBondContact O-N 2.88Å; L190-I192 VanDerWaalsContact O-N 3.15Å; I192-S194 PolarHBondContact O-N 2.67Å
193V27.2Very low32.3Very low113 Ų113150.9 Ų150.969%0.68577%0.77SS**  trans-70.8122.8169.1174.40000108.8S191 K195S191-V193 PolarHBondContact O-N 3.46Å; V193-K195 HydrophobicContact CG1-CG 3.72Å
194S31.4Very low32.5Very low121 Ų121150.3 Ų150.385%0.84677%0.768SS**  trans-111.4130.4155.1-165.80000108.2I192I192-S194 PolarHBondContact O-N 2.67Å
195K33.3Very low32.5Very low183 Ų183143.2 Ų143.280%0.79676%0.755SS**  trans-102.2161.3-171-76.3-171.4176.6178.10112.3V193V193-K195 HydrophobicContact CG1-CG 3.72Å
196K33.7Very low32.8Very low194 Ų194142.4 Ų142.484%0.84376%0.758SS**  trans78.181.5148.1-136.8-175.7-177.5-159.80116.7
197T30Very low33.2Very low116 Ų116142.3 Ų142.371%0.71276%0.758SS**  trans-57.1153.9138.114.20000111.8
198E33.4Very low33.7Very low152 Ų152139.8 Ų139.871%0.7175%0.75SS**  trans75130.1145.1-71.6167.3152.500122.5
199L34.6Very low34Very low151 Ų151142.4 Ų142.479%0.79176%0.76SS**  trans6299.1137.1-65.6168.2000120.8
200Q36.7Very low35Very low180 Ų180135.4 Ų135.484%0.84175%0.746SS**  trans173.2117.9131.6-94.9163.8-9.200105.3
201S35.5Very low35.4Very low85 Ų85137.8 Ų137.859%0.59475%0.754SS**  50.111269.188.20000109.7
202D38.9Very low36.1Very low133 Ų133136.7 Ų136.771%0.71175%0.752SS**  -168.6168.657.1-76.7-57.3000111.8
203Q40.4Very low36.5Very low163 Ų163135.8 Ų135.876%0.76275%0.753SS**  trans59.3119152.8-74.2-178.7-65.900119.5
204E35.9Very low37.2Very low162 Ų162141.4 Ų141.476%0.75776%0.762SS**  96.2137.380.6-166.2161.9-173.400110.3
205A37.2Very low37.4Very low66 Ų66146.9 Ų146.955%0.54577%0.765SS.*  cis-154.7165.911.200000112.1
206L41.8Very low37.5Very low173 Ų173146 Ų14691%0.90677%0.769SS**  trans56.8142.5143.8-60.8168.4000119.9
207A38.3Very low37.8Very low89 Ų89148.3 Ų148.374%0.73677%0.773SS**  cis-153.9169.9-200000110.5
208P40.9Very low38Very low110 Ų110147 Ų14771%0.71477%0.773SS**  trans-119.6172.4-165.643.3-33.6000116.8
209L33.9Very low38.4Very low160 Ų160145.5 Ų145.584%0.83878%0.777SS**  trans72159.6160.9-66159.9000117.9
210P46.3Very low38.7Very low98 Ų98146.5 Ų146.564%0.63678%0.782SS**  cis-137.7-163.6-34.439.8-22000113.7
211E37.2Very low38.7Very low185 Ų185142.2 Ų142.286%0.86478%0.777SS**  trans63.8104.9156.7-69.7176.7-171.900120.6
212A38.9Very low38.6Very low93 Ų93146 Ų14677%0.76979%0.785SS**  178.4121111.500000115.2
213V40.3Very low38.6Very low124 Ų124146 Ų14675%0.75279%0.792SS**  45.983.9129-170.70000119
214R42Very low38.4Very low232 Ų232145.5 Ų145.588%0.87579%0.794SS**  175152.2105.3-100154.7-170.3-173.72.5114.4
215Y35.3Very low38.1Very low235 Ų235142.4 Ų142.492%0.92280%0.796SS**  trans-85122.7165.5-72.8-97.5000109.2
216D36.7Very low38Very low164 Ų164144.4 Ų144.488%0.87781%0.813SS**  trans-140.9157.5153.4-120.2-44.7000110
217R38.7Very low37.6Very low244 Ų244141.3 Ų141.392%0.92181%0.806SS**PPolyproline II helixtrans-73.3149.2-161.9-85.3177.5165.5153.6-5.4114.3
218A35.2Very low37.2Very low87 Ų87143.1 Ų143.172%0.71981%0.813SS**PPolyproline II helixtrans-55.1145.7-17500000114.1
219P42.5Very low36.8Very low122 Ų122141.4 Ų141.479%0.79282%0.816SS**PPolyproline II helixtrans-64.6136.6170.928.9-34.4000110.3A221P219-A221 PolarHBondContact O-N 3.31Å
220I40.4Very low37.5Very low172 Ų172145 Ų14588%0.88282%0.818SS**  trans-71.8115.5174-61174.3000107.6
221A36.3Very low37.3Very low90 Ų90146.1 Ų146.174%0.74483%0.825SS**  trans-66143.5-175.700000112.7P219P219-A221 PolarHBondContact O-N 3.31Å
222E33.8Very low38Very low163 Ų163145.2 Ų145.276%0.76283%0.825SS**  trans-61.1144.5168.9-66.4-179101.300111.2L224E222-L224 PolarHBondContact O-N 2.85Å
223P39.1Very low39Very low134 Ų134146.1 Ų146.187%0.8781%0.812SS**  trans-73.977.817331.6-34.8000111A225P223-A225 PolarHBondContact O-N 3.41Å; P223-A225 VanDerWaalsContact O-N 3.16Å
224L36.6Very low40.3Very low153 Ų153142.8 Ų142.880%0.80179%0.794SS**  trans-59.3113.9174.5-77.2168.5000111.6E222 A226E222-L224 PolarHBondContact O-N 2.85Å; L224-A226 PolarHBondContact O-N 3.44Å
225A29Very low41.2Very low96 Ų96138 Ų13879%0.79378%0.782SS**  trans26.575.3155.600000117.9P223 S227P223-A225 PolarHBondContact O-N 3.41Å; P223-A225 VanDerWaalsContact O-N 3.16Å; A225-S227 PolarHBondContact O-N 2.92Å
226A34.8Very low42.5Very low109 Ų109135.6 Ų135.690%0.90177%0.771SS**  trans-69.4114.9161.700000110.1L224L224-A226 PolarHBondContact O-N 3.44Å
227S32.4Very low44.1Very low107 Ų107131.4 Ų131.475%0.74875%0.748SS**  trans-85.7151.1-174.457.70000113.3A225A225-S227 PolarHBondContact O-N 2.92Å
228S30.6Very low45.3Very low127 Ų127124.6 Ų124.689%0.88873%0.727SS**  trans62.1114.2174.474.30000117.2
229G32.8Very low46.8Very low75 Ų75123.2 Ų123.277%0.77371%0.709SS**  trans177.515017200000111.6
230R47.9Very low48.2Very low234 Ų234120.9 Ų120.988%0.88369%0.69SS**  trans-65.2145.4166.8-73.9178.9173.6170-1.7108.7L232R230-L232 PolarHBondContact O-N 3.47Å
231P43.3Very low49.6Very low122 Ų122115.7 Ų115.779%0.79266%0.662SS**  trans-56.1119.5171.124.2-33.4000109.2K233P231-K233 PolarHBondContact O-N 2.9Å
232L50.6Low51.1Low166 Ų166115.1 Ų115.187%0.86964%0.644SS**  trans-67.199.1178.9-77165.9000108.6R230 S234R230-L232 PolarHBondContact O-N 3.47Å; L232-S234 PolarHBondContact O-N 3.28Å
233K60.9Low52.7Low113 Ų113111.4 Ų111.449%0.49163%0.632SS.*  trans-47.9130.4167.9-78.9-176.7174.3176.60108.7P231 D237 Q238 E241P231-K233 PolarHBondContact O-N 2.9Å; K233-D237 HydrophobicContact CB-CB 4.1Å; K233-Q238 HydrophobicContact CB-CG 4.04Å; K233-Q238 PolarHBondContact O-NE2 3.49Å; K233-E241 IonicContact NZ-OE2 2.62Å; K233-E241 PolarHBondContact NZ-OE2 3.46Å
234S68.3Low54.3Low54 Ų54112.6 Ų112.638%0.37862%0.62SS.*  trans-58.2155.3-178.775.40000110.3L232 R236 D237 Q238L232-S234 PolarHBondContact O-N 3.28Å; S234-R236 PolarHBondContact O-N 3.01Å; S234-R236 VanDerWaalsContact O-N 3.14Å; S234-D237 WeakPolarHBondContact CB-OD2 3.34Å; S234-D237 PolarHBondContact N-OD2 3.42Å; S234-D237 WeakPolarHBondContact O-CB 3.41Å; S234-D237 PolarHBondContact O-N 3.46Å; S234-D237 PolarHBondContact OG-N 3.35Å; S234-D237 VanDerWaalsContact OG-N 3.17Å; S234-D237 PolarHBondContact OG-OD2 2.94Å; S234-Q238 WeakPolarHBondContact O-CG 3.39Å; S234-Q238 PolarHBondContact O-N 2.98Å
235H60.4Low55.9Low132 Ų132110.8 Ų110.861%0.61161%0.605SS**Hα-helixtrans-54-37.4177.4-178.269.1000111.5D237 Q238 V239H235-D237 PolarHBondContact O-N 2.98Å; H235-Q238 PolarHBondContact O-N 3.38Å; H235-V239 WeakPolarHBondContact O-CG2 3.33Å; H235-V239 PolarHBondContact O-N 3.01Å
236R61.5Low57.6Low184 Ų184109.4 Ų109.469%0.69459%0.589SS**Hα-helixtrans-58.4-45.2172.8-171.7179.3-174.7-178.73.9112.6S234 L240S234-R236 PolarHBondContact O-N 3.01Å; S234-R236 VanDerWaalsContact O-N 3.14Å; R236-L240 HydrophobicContact CG-CD1 4.03Å; R236-L240 VanDerWaalsContact O-CB 3.31Å; R236-L240 WeakPolarHBondContact O-CB 3.2Å; R236-L240 WeakPolarHBondContact O-CG 3.47Å; R236-L240 PolarHBondContact O-N 2.98Å
237D70.6Confident59.2Low75 Ų75113 Ų11340%0.40158%0.579SS.*Hα-helixtrans-66-40.1177.4-63.3-53.6000112.3K233 S234 H235 L240 E241K233-D237 HydrophobicContact CB-CB 4.1Å; S234-D237 WeakPolarHBondContact CB-OD2 3.34Å; S234-D237 PolarHBondContact N-OD2 3.42Å; S234-D237 WeakPolarHBondContact O-CB 3.41Å; S234-D237 PolarHBondContact O-N 3.46Å; S234-D237 PolarHBondContact OG-N 3.35Å; S234-D237 VanDerWaalsContact OG-N 3.17Å; S234-D237 PolarHBondContact OG-OD2 2.94Å; H235-D237 PolarHBondContact O-N 2.98Å; D237-L240 PolarHBondContact O-N 3.27Å; D237-E241 VanDerWaalsContact O-CB 3.32Å; D237-E241 WeakPolarHBondContact O-CB 3.26Å; D237-E241 PolarHBondContact O-N 3.3Å
238Q65.3Low60.9Low101 Ų101111.6 Ų111.647%0.47257%0.569SS.*Hα-helixtrans-63.2-47.8177.8-63.1-178.13600111K233 S234 H235 E241 Q242K233-Q238 HydrophobicContact CB-CG 4.04Å; K233-Q238 PolarHBondContact O-NE2 3.49Å; S234-Q238 WeakPolarHBondContact O-CG 3.39Å; S234-Q238 PolarHBondContact O-N 2.98Å; H235-Q238 PolarHBondContact O-N 3.38Å; Q238-E241 PolarHBondContact O-N 3.29Å; Q238-Q242 WeakPolarHBondContact O-CB 3.41Å; Q238-Q242 PolarHBondContact O-N 3.47Å
239V66.3Low62.3Low58 Ų58110.4 Ų110.435%0.35255%0.552SS.*Hα-helixtrans-63-45.2175.7173.30000111.1H235 E241 Q242 V243H235-V239 WeakPolarHBondContact O-CG2 3.33Å; H235-V239 PolarHBondContact O-N 3.01Å; V239-E241 VanDerWaalsContact C-N 3.33Å; V239-E241 PolarHBondContact O-N 3Å; V239-Q242 PolarHBondContact O-N 3.3Å; V239-V243 HydrophobicContact CG1-CG2 4.4Å; V239-V243 WeakPolarHBondContact O-CG2 3.4Å; V239-V243 PolarHBondContact O-N 3.13Å
240L71.2Confident63.5Low73 Ų73111.1 Ų111.138%0.38254%0.541SS..Hα-helixtrans-63.5-36177.2-74.2172000112.7R236 D237 R244R236-L240 HydrophobicContact CG-CD1 4.03Å; R236-L240 VanDerWaalsContact O-CB 3.31Å; R236-L240 WeakPolarHBondContact O-CB 3.2Å; R236-L240 WeakPolarHBondContact O-CG 3.47Å; R236-L240 PolarHBondContact O-N 2.98Å; D237-L240 PolarHBondContact O-N 3.27Å; L240-R244 VanDerWaalsContact O-CG 3.26Å; L240-R244 WeakPolarHBondContact O-CG 3.45Å; L240-R244 PolarHBondContact O-N 2.94Å
241E70.6Confident64.1Low63 Ų63105.3 Ų105.329%0.29452%0.524SS..Hα-helixtrans-71.1-36.5174.5-163.8179.9124.900112K233 D237 Q238 V239 R244 K245K233-E241 IonicContact NZ-OE2 2.62Å; K233-E241 PolarHBondContact NZ-OE2 3.46Å; D237-E241 VanDerWaalsContact O-CB 3.32Å; D237-E241 WeakPolarHBondContact O-CB 3.26Å; D237-E241 PolarHBondContact O-N 3.3Å; Q238-E241 PolarHBondContact O-N 3.29Å; V239-E241 VanDerWaalsContact C-N 3.33Å; V239-E241 PolarHBondContact O-N 3Å; E241-R244 PolarHBondContact O-N 3.28Å; E241-K245 WeakPolarHBondContact O-CG 3.43Å; E241-K245 PolarHBondContact O-N 3Å; E241-K245 WeakPolarHBondContact OE1-CE 3.4Å; E241-K245 IonicContact OE1-NZ 2.64Å; E241-K245 PolarHBondContact OE1-NZ 3.46Å
242Q66.3Low64.7Low78 Ų78101.8 Ų101.836%0.36451%0.505SS..Hα-helixtrans-65.7-43.8172.8-173.1173.6-12.100111.7Q238 V239 R244 K245 C246Q238-Q242 WeakPolarHBondContact O-CB 3.41Å; Q238-Q242 PolarHBondContact O-N 3.47Å; V239-Q242 PolarHBondContact O-N 3.3Å; Q242-R244 VanDerWaalsContact C-N 3.33Å; Q242-R244 PolarHBondContact O-N 3.25Å; Q242-K245 PolarHBondContact O-N 3.35Å; Q242-K245 VanDerWaalsContact O-N 3.13Å; Q242-C246 PolarHBondContact O-N 2.99Å; Q242-C246 PolarHBondContact O-SG 3.45Å; Q242-C246 VanDerWaalsContact O-SG 3.38Å
243V68.5Low64.4Low86 Ų8699.4 Ų99.452%0.52149%0.492SS..Hα-helixtrans-60.6-41174170.10000111.3V239 C246 R247V239-V243 HydrophobicContact CG1-CG2 4.4Å; V239-V243 WeakPolarHBondContact O-CG2 3.4Å; V239-V243 PolarHBondContact O-N 3.13Å; V243-C246 PolarHBondContact O-N 3.38Å; V243-R247 WeakPolarHBondContact O-CB 3.35Å; V243-R247 PolarHBondContact O-N 3.19Å
244R73Confident63.6Low159 Ų15997.7 Ų97.760%0.649%0.492SS*.Hα-helixtrans-61.4-42.6172.7-73.6173.7-171.7115-8.3112.1L240 E241 Q242 R247 S248L240-R244 VanDerWaalsContact O-CG 3.26Å; L240-R244 WeakPolarHBondContact O-CG 3.45Å; L240-R244 PolarHBondContact O-N 2.94Å; E241-R244 PolarHBondContact O-N 3.28Å; Q242-R244 VanDerWaalsContact C-N 3.33Å; Q242-R244 PolarHBondContact O-N 3.25Å; R244-R247 PolarHBondContact O-N 2.67Å; R244-S248 WeakPolarHBondContact O-CB 3.33Å; R244-S248 PolarHBondContact O-N 2.89Å
245K70.5Confident62.6Low115 Ų11599.6 Ų99.650%0.550%0.501SS..Hα-helixtrans-64-47.4176.5-73165.4-174.7165.70111.8E241 Q242 R247 S248 I249E241-K245 WeakPolarHBondContact O-CG 3.43Å; E241-K245 PolarHBondContact O-N 3Å; E241-K245 WeakPolarHBondContact OE1-CE 3.4Å; E241-K245 IonicContact OE1-NZ 2.64Å; E241-K245 PolarHBondContact OE1-NZ 3.46Å; Q242-K245 PolarHBondContact O-N 3.35Å; Q242-K245 VanDerWaalsContact O-N 3.13Å; K245-R247 PolarHBondContact O-N 3.15Å; K245-S248 WeakPolarHBondContact O-CB 3.47Å; K245-S248 PolarHBondContact O-N 2.99Å; K245-I249 WeakPolarHBondContact O-CG1 3.28Å; K245-I249 PolarHBondContact O-N 3.49Å
246C64.3Low61.6Low66 Ų6698.2 Ų98.245%0.44650%0.502SS..Hα-helixtrans-60.1-44175.2-67.20000112Q242 V243 S248 I249 V250Q242-C246 PolarHBondContact O-N 2.99Å; Q242-C246 PolarHBondContact O-SG 3.45Å; Q242-C246 VanDerWaalsContact O-SG 3.38Å; V243-C246 PolarHBondContact O-N 3.38Å; C246-S248 VanDerWaalsContact C-N 3.35Å; C246-S248 PolarHBondContact O-N 3.13Å; C246-I249 PolarHBondContact O-N 3.2Å; C246-V250 WeakPolarHBondContact O-CG2 3.46Å; C246-V250 PolarHBondContact O-N 3.17Å
247R69Low60.4Low184 Ų18493 Ų9369%0.69449%0.494SS*.Hα-helixtrans-61.6-41.4175.4-173173.7-178.3163.61.8112V243 R244 K245 V250 Q251V243-R247 WeakPolarHBondContact O-CB 3.35Å; V243-R247 PolarHBondContact O-N 3.19Å; R244-R247 PolarHBondContact O-N 2.67Å; K245-R247 PolarHBondContact O-N 3.15Å; R247-V250 PolarHBondContact O-N 2.95Å; R247-Q251 WeakPolarHBondContact O-CB 3.39Å; R247-Q251 PolarHBondContact O-N 3.15Å
248S66.6Low58.8Low78 Ų7893.6 Ų93.655%0.54551%0.509SS..Hα-helixtrans-61.7-43.3174.8-171.90000112.1R244 K245 C246 Q251 A252R244-S248 WeakPolarHBondContact O-CB 3.33Å; R244-S248 PolarHBondContact O-N 2.89Å; K245-S248 WeakPolarHBondContact O-CB 3.47Å; K245-S248 PolarHBondContact O-N 2.99Å; C246-S248 VanDerWaalsContact C-N 3.35Å; C246-S248 PolarHBondContact O-N 3.13Å; S248-Q251 PolarHBondContact O-N 3.46Å; S248-A252 WeakPolarHBondContact O-CB 3.37Å; S248-A252 PolarHBondContact O-N 2.81Å
249I61.5Low57.3Low103 Ų10392.1 Ų92.153%0.52852%0.521SS..Hα-helixtrans-64.5-46.5176.5-66.4163.4000111.1K245 C246 Q251 A252 L253K245-I249 WeakPolarHBondContact O-CG1 3.28Å; K245-I249 PolarHBondContact O-N 3.49Å; C246-I249 PolarHBondContact O-N 3.2Å; I249-Q251 VanDerWaalsContact C-N 3.29Å; I249-Q251 PolarHBondContact O-N 3.25Å; I249-A252 PolarHBondContact O-N 3.11Å; I249-L253 HydrophobicContact CG2-CD1 3.93Å; I249-L253 HydrophobicContact CG2-CG 4.43Å; I249-L253 WeakPolarHBondContact O-CB 3.34Å; I249-L253 VanDerWaalsContact O-CG 3.28Å; I249-L253 WeakPolarHBondContact O-CG 3.49Å; I249-L253 PolarHBondContact O-N 3.46Å
250V57.3Low55.7Low89 Ų8991.5 Ų91.554%0.53953%0.526SS..Hα-helixtrans-62.1-38.4175.6172.10000111.3C246 R247 L253 T254C246-V250 WeakPolarHBondContact O-CG2 3.46Å; C246-V250 PolarHBondContact O-N 3.17Å; R247-V250 PolarHBondContact O-N 2.95Å; V250-L253 PolarHBondContact O-N 3.21Å; V250-T254 WeakPolarHBondContact O-CB 3.5Å; V250-T254 WeakPolarHBondContact O-CG2 3.45Å; V250-T254 PolarHBondContact O-N 2.82Å; V250-T254 PolarHBondContact O-OG1 3.2Å
251Q60.8Low54Low113 Ų11392.1 Ų92.153%0.52853%0.53SS..Hα-helixtrans-68.3-42.1177.2-166.9163.6-500111.5R247 S248 I249 T254 T255R247-Q251 WeakPolarHBondContact O-CB 3.39Å; R247-Q251 PolarHBondContact O-N 3.15Å; S248-Q251 PolarHBondContact O-N 3.46Å; I249-Q251 VanDerWaalsContact C-N 3.29Å; I249-Q251 PolarHBondContact O-N 3.25Å; Q251-T254 WeakPolarHBondContact CA-OG1 3.43Å; Q251-T254 PolarHBondContact O-N 3.32Å; Q251-T254 PolarHBondContact O-OG1 3.43Å; Q251-T254 VanDerWaalsContact O-OG1 3.07Å; Q251-T255 WeakPolarHBondContact O-CG2 3.49Å; Q251-T255 PolarHBondContact O-N 2.83Å; Q251-T255 PolarHBondContact O-OG1 3.43Å
252A54.8Low52.7Low48 Ų4892.2 Ų92.240%0.39754%0.537SS..Hα-helixtrans-63.2-41.6173.400000112.4S248 I249 T255 T256S248-A252 WeakPolarHBondContact O-CB 3.37Å; S248-A252 PolarHBondContact O-N 2.81Å; I249-A252 PolarHBondContact O-N 3.11Å; A252-T255 WeakPolarHBondContact CA-OG1 3.47Å; A252-T255 PolarHBondContact O-OG1 3.06Å; A252-T255 VanDerWaalsContact O-OG1 3.11Å; A252-T256 VanDerWaalsContact O-CB 3.26Å; A252-T256 WeakPolarHBondContact O-CB 3.46Å; A252-T256 PolarHBondContact O-N 3.26Å; A252-T256 PolarHBondContact O-OG1 3.5Å
253L44Very low51.4Low115 Ų11596.7 Ų96.760%0.60256%0.556SS**Hα-helixtrans-65.7-40.5176.3-72.4170.4000111.8I249 V250 T256 S257I249-L253 HydrophobicContact CG2-CD1 3.93Å; I249-L253 HydrophobicContact CG2-CG 4.43Å; I249-L253 WeakPolarHBondContact O-CB 3.34Å; I249-L253 VanDerWaalsContact O-CG 3.28Å; I249-L253 WeakPolarHBondContact O-CG 3.49Å; I249-L253 PolarHBondContact O-N 3.46Å; V250-L253 PolarHBondContact O-N 3.21Å; L253-T256 PolarHBondContact O-N 2.97Å; L253-S257 WeakPolarHBondContact O-CB 3.41Å; L253-S257 PolarHBondContact O-N 3.26Å
254T45.7Very low50Low77 Ų7795.1 Ų95.147%0.47255%0.551SS.*Hα-helixtrans-73.1-39.7177.948.30000112.6V250 Q251 T256 S257 A258V250-T254 WeakPolarHBondContact O-CB 3.5Å; V250-T254 WeakPolarHBondContact O-CG2 3.45Å; V250-T254 PolarHBondContact O-N 2.82Å; V250-T254 PolarHBondContact O-OG1 3.2Å; Q251-T254 WeakPolarHBondContact CA-OG1 3.43Å; Q251-T254 PolarHBondContact O-N 3.32Å; Q251-T254 PolarHBondContact O-OG1 3.43Å; Q251-T254 VanDerWaalsContact O-OG1 3.07Å; T254-T256 VanDerWaalsContact C-N 3.32Å; T254-T256 PolarHBondContact O-N 2.82Å; T254-S257 WeakPolarHBondContact CA-OG 3.42Å; T254-S257 PolarHBondContact O-N 3.08Å; T254-S257 VanDerWaalsContact O-N 3.15Å; T254-S257 PolarHBondContact O-OG 3.13Å; T254-A258 PolarHBondContact O-N 2.96Å
255T46.5Very low48.4Very low94 Ų9493 Ų9358%0.57755%0.548SS*.Hα-helixtrans-65.3-34.9171550000112.1Q251 A252 S257 A258Q251-T255 WeakPolarHBondContact O-CG2 3.49Å; Q251-T255 PolarHBondContact O-N 2.83Å; Q251-T255 PolarHBondContact O-OG1 3.43Å; A252-T255 WeakPolarHBondContact CA-OG1 3.47Å; A252-T255 PolarHBondContact O-OG1 3.06Å; A252-T255 VanDerWaalsContact O-OG1 3.11Å; T255-S257 VanDerWaalsContact C-N 3.34Å; T255-A258 WeakPolarHBondContact O-CB 3.34Å; T255-A258 PolarHBondContact O-N 3.46Å
256T39.1Very low47Very low104 Ų10494.6 Ų94.664%0.63855%0.551SS**Hα-helixtrans-67.5-34.6172.2-54.50000111.5A252 L253 T254 A258 G259A252-T256 VanDerWaalsContact O-CB 3.26Å; A252-T256 WeakPolarHBondContact O-CB 3.46Å; A252-T256 PolarHBondContact O-N 3.26Å; A252-T256 PolarHBondContact O-OG1 3.5Å; L253-T256 PolarHBondContact O-N 2.97Å; T254-T256 VanDerWaalsContact C-N 3.32Å; T254-T256 PolarHBondContact O-N 2.82Å; T256-A258 VanDerWaalsContact C-N 3.28Å; T256-A258 PolarHBondContact O-N 3Å; T256-G259 WeakPolarHBondContact O-CA 3.41Å; T256-G259 PolarHBondContact O-N 3.31Å
257S37.3Very low45.8Very low73 Ų7396.9 Ų96.951%0.5156%0.557SS.*Hα-helixtrans-67.4-25.5176.378.60000113.9L253 T254 T255 G259 G260L253-S257 WeakPolarHBondContact O-CB 3.41Å; L253-S257 PolarHBondContact O-N 3.26Å; T254-S257 WeakPolarHBondContact CA-OG 3.42Å; T254-S257 PolarHBondContact O-N 3.08Å; T254-S257 VanDerWaalsContact O-N 3.15Å; T254-S257 PolarHBondContact O-OG 3.13Å; T255-S257 VanDerWaalsContact C-N 3.34Å; S257-G259 PolarHBondContact O-N 3.04Å; S257-G260 PolarHBondContact O-N 3.1Å
258A35.3Very low44.5Very low89 Ų8995.6 Ų95.674%0.73656%0.556SS**Hα-helixtrans-66.1-21.7169.900000112.3T254 T255 T256 G260T254-A258 PolarHBondContact O-N 2.96Å; T255-A258 WeakPolarHBondContact O-CB 3.34Å; T255-A258 PolarHBondContact O-N 3.46Å; T256-A258 VanDerWaalsContact C-N 3.28Å; T256-A258 PolarHBondContact O-N 3Å; A258-G260 PolarHBondContact O-N 3.18Å; A258-G260 VanDerWaalsContact O-N 3.13Å
259G34.9Very low43.2Very low70 Ų7094.9 Ų94.972%0.72255%0.552SS**THydrogen-bonded Turntrans-73.816.2171.100000115.2T256 S257T256-G259 WeakPolarHBondContact O-CA 3.41Å; T256-G259 PolarHBondContact O-N 3.31Å; S257-G259 PolarHBondContact O-N 3.04Å
260G32Very low42.2Very low44 Ų4493.5 Ų93.545%0.45455%0.551SS.*  trans84.1126.6173.800000114.3S257 A258 S262S257-G260 PolarHBondContact O-N 3.1Å; A258-G260 PolarHBondContact O-N 3.18Å; A258-G260 VanDerWaalsContact O-N 3.13Å; G260-S262 PolarHBondContact O-N 3.08Å; G260-S262 VanDerWaalsContact O-N 3.13Å
261L36.6Very low41.2Very low87 Ų8798.9 Ų98.946%0.45556%0.562SS.*  trans-49.5119.9177.1-67.7170.5000111.3Q265 R266L261-Q265 HydrophobicContact CD2-CG 4.21Å; L261-R266 PolarHBondContact O-NE 3.12Å; L261-R266 PolarHBondContact O-NH2 2.9Å
262S43Very low40.4Very low65 Ų6598.9 Ų98.946%0.45556%0.56SS.*  trans-59.7155.6-173.682.60000111.7G260 A264 Q265 R266G260-S262 PolarHBondContact O-N 3.08Å; G260-S262 VanDerWaalsContact O-N 3.13Å; S262-A264 PolarHBondContact O-N 3.33Å; S262-A264 VanDerWaalsContact O-N 3.08Å; S262-Q265 PolarHBondContact O-N 3.12Å; S262-Q265 PolarHBondContact OG-N 3.31Å; S262-R266 PolarHBondContact O-N 3.12Å
263K37.9Very low39.6Very low172 Ų172103.3 Ų103.375%0.74858%0.576SS**Hα-helixtrans-53.5-34.9-178.1-169.3173.6-178.9177.80112.3M267K263-M267 WeakPolarHBondContact O-CG 3.42Å; K263-M267 PolarHBondContact O-N 3.3Å; K263-M267 VanDerWaalsContact O-N 3.13Å
264A39.7Very low39.3Very low52 Ų52107.7 Ų107.743%0.4359%0.585SS.*Hα-helixtrans-65.6-51.7174.300000112.4S262 R266 M267 F268S262-A264 PolarHBondContact O-N 3.33Å; S262-A264 VanDerWaalsContact O-N 3.08Å; A264-R266 VanDerWaalsContact C-N 3.26Å; A264-R266 PolarHBondContact O-N 2.92Å; A264-M267 PolarHBondContact O-N 2.97Å; A264-M267 VanDerWaalsContact O-N 3.1Å; A264-F268 WeakPolarHBondContact O-CD2 3.24Å; A264-F268 PolarHBondContact O-N 3.49Å
265Q40.6Very low39Very low115 Ų115107 Ų10754%0.53759%0.587SS.*Hα-helixtrans-62.1-35.7-178.8-162.2169.92.900111.7L261 S262 F268 S269L261-Q265 HydrophobicContact CD2-CG 4.21Å; S262-Q265 PolarHBondContact O-N 3.12Å; S262-Q265 PolarHBondContact OG-N 3.31Å; Q265-F268 PolarHBondContact O-N 3.36Å; Q265-S269 PolarHBondContact O-N 2.89Å; Q265-S269 PolarHBondContact O-OG 3.43Å
266R39.6Very low38.6Very low149 Ų149107.1 Ų107.156%0.56260%0.598SS**Hα-helixtrans-64.3-42.9173.1-134.7177.7-62-1750.2112.7L261 S262 A264 F268 S269 S270L261-R266 PolarHBondContact O-NE 3.12Å; L261-R266 PolarHBondContact O-NH2 2.9Å; S262-R266 PolarHBondContact O-N 3.12Å; A264-R266 VanDerWaalsContact C-N 3.26Å; A264-R266 PolarHBondContact O-N 2.92Å; R266-F268 VanDerWaalsContact C-N 3.33Å; R266-F268 PolarHBondContact O-N 3.22Å; R266-S269 PolarHBondContact O-N 3.3Å; R266-S269 PolarHBondContact O-OG 3.33Å; R266-S270 PolarHBondContact O-N 3Å; R266-S270 PolarHBondContact O-OG 3.26Å
267M40.1Very low38.7Very low114 Ų114106.2 Ų106.256%0.56260%0.595SS**Hα-helixtrans-66.6-31.2175.5-72.9-169.5-52.600113.2K263 A264K263-M267 WeakPolarHBondContact O-CG 3.42Å; K263-M267 PolarHBondContact O-N 3.3Å; K263-M267 VanDerWaalsContact O-N 3.13Å; A264-M267 PolarHBondContact O-N 2.97Å; A264-M267 VanDerWaalsContact O-N 3.1Å
268F41.4Very low38.6Very low156 Ų156103.7 Ų103.768%0.68458%0.579SS**Hα-helixtrans-69.3-41175.2-89.8-77000112.6A264 Q265 R266 S270 R271A264-F268 WeakPolarHBondContact O-CD2 3.24Å; A264-F268 PolarHBondContact O-N 3.49Å; Q265-F268 PolarHBondContact O-N 3.36Å; R266-F268 VanDerWaalsContact C-N 3.33Å; R266-F268 PolarHBondContact O-N 3.22Å; F268-S270 VanDerWaalsContact C-N 3.35Å; F268-S270 PolarHBondContact O-N 3.14Å; F268-R271 PolarHBondContact O-N 3.28Å
269S39.6Very low38.8Very low64 Ų64105.5 Ų105.545%0.44858%0.583SS.*Hα-helixtrans-62.4-38.7174.237.90000112.9Q265 R266 R271 K272Q265-S269 PolarHBondContact O-N 2.89Å; Q265-S269 PolarHBondContact O-OG 3.43Å; R266-S269 PolarHBondContact O-N 3.3Å; R266-S269 PolarHBondContact O-OG 3.33Å; S269-R271 PolarHBondContact O-N 2.81Å; S269-K272 PolarHBondContact O-N 3.43Å
270S39.7Very low39.3Very low74 Ų74111.5 Ų111.552%0.51758%0.584SS.*Hα-helixtrans-64.1-20.5178.7-55.90000114.4R266 F268R266-S270 PolarHBondContact O-N 3Å; R266-S270 PolarHBondContact O-OG 3.26Å; F268-S270 VanDerWaalsContact C-N 3.35Å; F268-S270 PolarHBondContact O-N 3.14Å
271R37.5Very low39.7Very low201 Ų201112.8 Ų112.876%0.75859%0.591SS**Hα-helixtrans-82.9-34.2176.3-68.2-173.3-177.8-161.1-0112.9F268 S269 R274F268-R271 PolarHBondContact O-N 3.28Å; S269-R271 PolarHBondContact O-N 2.81Å; R271-R274 PolarHBondContact O-N 3.23Å
272K42.5Very low39.8Very low114 Ų114116 Ų11650%0.49661%0.608SS.*Hα-helixtrans-65.4-39.9178.1-79.2-167.2171.7-173.80112.8S269 R274 A275 A276 F297S269-K272 PolarHBondContact O-N 3.43Å; K272-R274 PolarHBondContact O-N 3.37Å; K272-A275 PolarHBondContact O-N 3.47Å; K272-A275 VanDerWaalsContact O-N 3.16Å; K272-A276 PolarHBondContact O-N 2.57Å; K272-A276 VanDerWaalsContact O-N 3.14Å; K272-F297 VanDerWaalsContact NZ-CG 3.3Å
273L38.4Very low39.5Very low140 Ų140124.1 Ų124.173%0.73363%0.629SS**Hα-helixtrans-62.4-22.4179.9-93.3161.8000114.6S277L273-S277 PolarHBondContact O-OG 3.26Å
274R37.6Very low39.2Very low207 Ų207120.9 Ų120.978%0.78163%0.634SS**Hα-helixtrans-94.3-13.6178.2-153.1-175.7-62-175.7-1.3113.8R271 K272 S277R271-R274 PolarHBondContact O-N 3.23Å; K272-R274 PolarHBondContact O-N 3.37Å; R274-S277 PolarHBondContact O-OG 2.78Å
275A38.9Very low38.9Very low64 Ų64124.1 Ų124.153%0.52965%0.653SS.*Hα-helixtrans-88.5-39.5173.800000111.4K272 S277 A278K272-A275 PolarHBondContact O-N 3.47Å; K272-A275 VanDerWaalsContact O-N 3.16Å; A275-S277 PolarHBondContact O-N 3.24Å; A275-A278 WeakPolarHBondContact O-CB 3.32Å; A275-A278 PolarHBondContact O-N 3.13Å
276A38.9Very low38.3Very low96 Ų96122.5 Ų122.579%0.79367%0.667SS**THydrogen-bonded Turntrans-71-8.5177.700000114.4K272K272-A276 PolarHBondContact O-N 2.57Å; K272-A276 VanDerWaalsContact O-N 3.14Å
277S40.5Very low37.8Very low84 Ų84119 Ų11959%0.58768%0.678SS**THydrogen-bonded Turntrans-104.315.4179.469.30000113.4L273 R274 A275L273-S277 PolarHBondContact O-OG 3.26Å; R274-S277 PolarHBondContact O-OG 2.78Å; A275-S277 PolarHBondContact O-N 3.24Å
278A36.5Very low37.4Very low21 Ų21120.9 Ų120.917%0.17469%0.69CS.*  trans-94.3126.8-172.300000111.8A275 W280 A281A275-A278 WeakPolarHBondContact O-CB 3.32Å; A275-A278 PolarHBondContact O-N 3.13Å; A278-W280 HydrophobicContact CB-CD2 4.48Å; A278-W280 HydrophobicContact CB-CG 4.5Å; A278-W280 HydrophobicContact CB-CZ2 4.31Å; A278-W280 PolarHBondContact O-N 2.88Å; A278-A281 PolarHBondContact O-N 2.88Å
279P39.8Very low36.8Very low126 Ų126122.1 Ų122.182%0.81870%0.698SS**G310 helixtrans-71.9-2-16828.3-36.3000115.5
280W45.7Very low36.3Very low197 Ų197124.2 Ų124.275%0.74671%0.713SS**G310 helixtrans-81.3-14.7175.651.1-100.9000113.8A278 N282A278-W280 HydrophobicContact CB-CD2 4.48Å; A278-W280 HydrophobicContact CB-CG 4.5Å; A278-W280 HydrophobicContact CB-CZ2 4.31Å; A278-W280 PolarHBondContact O-N 2.88Å; W280-N282 PolarHBondContact O-N 2.84Å; W280-N282 VanDerWaalsContact O-N 3.09Å
281A39.4Very low35.8Very low71 Ų71128 Ų12859%0.58773%0.728SS**G310 helixtrans-66.7-9.4-177.200000115.3A278A278-A281 PolarHBondContact O-N 2.88Å
282N39.5Very low35.2Very low154 Ų154123.5 Ų123.582%0.82473%0.727SS**G310 helixtrans-103.510.7-175.4-72.6-8.6000114.6W280 A284W280-N282 PolarHBondContact O-N 2.84Å; W280-N282 VanDerWaalsContact O-N 3.09Å; N282-A284 PolarHBondContact O-N 3.06Å
283R36.3Very low34.4Very low236 Ų236123.7 Ų123.789%0.89174%0.741SS**  trans-96.777.6176.2-74.2-165.6176.9-160.40.2112.4
284A31.2Very low33.8Very low103 Ų103121.7 Ų121.785%0.85173%0.734SS**  trans-96.195.8165.800000110N282N282-A284 PolarHBondContact O-N 3.06Å
285S33.2Very low33.3Very low120 Ų120117.8 Ų117.884%0.83973%0.728SS**  trans-166.5110.5165.6-170.50000112.3
286G29.1Very low32.7Very low81 Ų81120.5 Ų120.584%0.83573%0.733SS**  trans70.7147162.700000117.7
287G28.8Very low32.1Very low76 Ų76122.2 Ų122.278%0.78472%0.723SS**  trans110.7121167.700000114.3
288D30.7Very low31.4Very low153 Ų153124.4 Ų124.482%0.81874%0.737SS**  trans-61154.1-177.3-55.2-72.4000116.2
289E30Very low30.9Very low182 Ų182132.3 Ų132.385%0.8576%0.763SS**  trans65.1154.8152.3-67.9-178.3152.400121.2
290S29.1Very low30.2Very low109 Ų109132.6 Ų132.676%0.76276%0.756SS**  trans81.9122.2169.6-42.90000119.5
291D27.3Very low29.2Very low154 Ų154129.9 Ų129.982%0.82475%0.747SS**  trans59.248.3144.8-59.9-9.3000120.6C293D291-C293 PolarHBondContact O-N 3.09Å
292S26.2Very low28.6Very low106 Ų106131.2 Ų131.274%0.74175%0.748SS**  trans-68.596.716065.20000111.5V294S292-V294 VanDerWaalsContact C-N 3.33Å; S292-V294 PolarHBondContact O-N 3.5Å
293C25.2Very low28Very low118 Ų118131.1 Ų131.180%0.79774%0.742SS**  trans-68.384.9171.2-82.50000111.9D291 I295D291-C293 PolarHBondContact O-N 3.09Å; C293-I295 PolarHBondContact O-N 2.94Å
294V26.7Very low27.6Very low97 Ų97122.9 Ų122.959%0.58872%0.724SS**  trans-7484.1179.2-175.70000110.8S292 N296S292-V294 VanDerWaalsContact C-N 3.33Å; S292-V294 PolarHBondContact O-N 3.5Å; V294-N296 VanDerWaalsContact C-N 3.27Å; V294-N296 WeakPolarHBondContact CG1-OD1 3.27Å; V294-N296 PolarHBondContact O-N 3.47Å
295I26.6Very low27.7Very low126 Ų126124 Ų12465%0.64671%0.712SS**  trans-79.477.2174-44180000109.9C293 F297C293-I295 PolarHBondContact O-N 2.94Å; I295-F297 HydrophobicContact CB-CD2 4.5Å; I295-F297 HydrophobicContact CB-CE2 4.17Å; I295-F297 HydrophobicContact CG2-CD2 3.87Å; I295-F297 HydrophobicContact CG2-CE2 3.33Å; I295-F297 HydrophobicContact CG2-CZ 3.9Å; I295-F297 WeakPolarHBondContact O-CD2 3.36Å; I295-F297 PolarHBondContact O-N 2.9Å
296N26Very low27.6Very low121 Ų121123.5 Ų123.565%0.64770%0.7SS**  trans-63102176.5-85.8-15.5000111.3V294V294-N296 VanDerWaalsContact C-N 3.27Å; V294-N296 WeakPolarHBondContact CG1-OD1 3.27Å; V294-N296 PolarHBondContact O-N 3.47Å
297F27.3Very low28Very low131 Ų131126 Ų12658%0.57569%0.694SS**  trans-94.3123.4168.8-77.4-82.6000110.1K272 I295 R299K272-F297 VanDerWaalsContact NZ-CG 3.3Å; I295-F297 HydrophobicContact CB-CD2 4.5Å; I295-F297 HydrophobicContact CB-CE2 4.17Å; I295-F297 HydrophobicContact CG2-CD2 3.87Å; I295-F297 HydrophobicContact CG2-CE2 3.33Å; I295-F297 HydrophobicContact CG2-CZ 3.9Å; I295-F297 WeakPolarHBondContact O-CD2 3.36Å; I295-F297 PolarHBondContact O-N 2.9Å; F297-R299 PolarHBondContact O-N 3.17Å
298C24.9Very low28.6Very low131 Ų131126.4 Ų126.489%0.88569%0.685SS**  trans-53.7104.1169.7-590000110.7
299R25.8Very low29Very low187 Ų187128.3 Ų128.371%0.70669%0.686SS**  trans-97.296.1-177.1-165.8168-178.6-178.31.3108.7F297 Y301F297-R299 PolarHBondContact O-N 3.17Å; R299-Y301 VanDerWaalsContact C-N 3.34Å; R299-Y301 HydrophobicContact CB-CD2 4.16Å; R299-Y301 HydrophobicContact CB-CE2 3.96Å; R299-Y301 VanDerWaalsContact CD-CE2 3.46Å; R299-Y301 HydrophobicContact CG-CD2 3.91Å; R299-Y301 HydrophobicContact CG-CE2 3.54Å; R299-Y301 PolarHBondContact NE-OH 2.72Å; R299-Y301 PolarHBondContact NH1-OH 3.19Å; R299-Y301 VanDerWaalsContact O-CD2 3.27Å; R299-Y301 WeakPolarHBondContact O-CD2 3.42Å; R299-Y301 PolarHBondContact O-N 2.62Å
300L24.5Very low29.4Very low131 Ų131124.2 Ų124.269%0.68668%0.675SS**  trans-72.987.1-176.1-158.5155.5000110T302L300-T302 HydrophobicContact CD2-CG2 3.99Å; L300-T302 PolarHBondContact O-N 3.06Å
301Y26Very low30.1Very low141 Ų141124.7 Ų124.755%0.55367%0.673SS**  trans-77.1100.9-179.6-84.5-83.4000111.5R299 H303R299-Y301 VanDerWaalsContact C-N 3.34Å; R299-Y301 HydrophobicContact CB-CD2 4.16Å; R299-Y301 HydrophobicContact CB-CE2 3.96Å; R299-Y301 VanDerWaalsContact CD-CE2 3.46Å; R299-Y301 HydrophobicContact CG-CD2 3.91Å; R299-Y301 HydrophobicContact CG-CE2 3.54Å; R299-Y301 PolarHBondContact NE-OH 2.72Å; R299-Y301 PolarHBondContact NH1-OH 3.19Å; R299-Y301 VanDerWaalsContact O-CD2 3.27Å; R299-Y301 WeakPolarHBondContact O-CD2 3.42Å; R299-Y301 PolarHBondContact O-N 2.62Å; Y301-H303 PolarHBondContact O-N 2.64Å; Y301-H303 VanDerWaalsContact O-N 3.12Å
302T26.3Very low30.8Very low99 Ų99124.6 Ų124.661%0.60767%0.673SS**  trans-78.487166.452.90000109.9L300 A304L300-T302 HydrophobicContact CD2-CG2 3.99Å; L300-T302 PolarHBondContact O-N 3.06Å; T302-A304 PolarHBondContact O-N 3.27Å
303H27.3Very low31.8Very low152 Ų152126.6 Ų126.670%0.70468%0.676SS**  trans-75.895.9174.9-140.4-85.8000110.2Y301 Q305Y301-H303 PolarHBondContact O-N 2.64Å; Y301-H303 VanDerWaalsContact O-N 3.12Å; H303-Q305 PolarHBondContact O-N 3.2Å
304A27.2Very low32.7Very low62 Ų62130.4 Ų130.451%0.51268%0.681SS.*  trans-82.487.4178.500000110.1T302T302-A304 PolarHBondContact O-N 3.27Å
305Q32.5Very low33.2Very low127 Ų127130 Ų13059%0.59370%0.698SS**  trans-82.3116.3173.7-169.6165.4-20.200109.4H303 D307H303-Q305 PolarHBondContact O-N 3.2Å; Q305-D307 WeakPolarHBondContact CG-OD2 3.35Å; Q305-D307 PolarHBondContact NE2-OD2 3.46Å; Q305-D307 PolarHBondContact O-N 3.3Å
306D32.4Very low33.5Very low109 Ų109127.4 Ų127.458%0.58370%0.702SS**  trans-98.363.2-179.1-81.6-64.4000111.6S308 K323D306-S308 PolarHBondContact O-N 3.01Å; D306-K323 WeakPolarHBondContact OD1-CE 3.33Å; D306-K323 IonicContact OD1-NZ 2.63Å; D306-K323 PolarHBondContact OD1-NZ 3.06Å; D306-K323 IonicContact OD2-NZ 2.93Å; D306-K323 PolarHBondContact OD2-NZ 3.24Å
307D37.2Very low33.8Very low134 Ų134130.8 Ų130.872%0.71771%0.713SS**  trans-7869.1173.2-67-26.7000110.9Q305Q305-D307 WeakPolarHBondContact CG-OD2 3.35Å; Q305-D307 PolarHBondContact NE2-OD2 3.46Å; Q305-D307 PolarHBondContact O-N 3.3Å
308S41.1Very low33.9Very low84 Ų84129.6 Ų129.659%0.58773%0.728SS**  trans-143.186.5171.767.10000112.1D306D306-S308 PolarHBondContact O-N 3.01Å
309K39.2Very low34.1Very low194 Ų194129.9 Ų129.984%0.84373%0.725SS**  trans-71.8128.8160.7-173.9-177179.6-173.80108.1T311K309-T311 PolarHBondContact O-N 3.06Å
310P38.8Very low34.2Very low95 Ų95123.8 Ų123.862%0.61772%0.72SS**  trans-66.1135.2171.928.2-32.9000109.9
311T43.9Very low34.3Very low119 Ų119120.6 Ų120.673%0.7371%0.712SS**  trans-103.8109160.647.50000106.6K309 D313K309-T311 PolarHBondContact O-N 3.06Å; T311-D313 PolarHBondContact O-N 2.96Å; T311-D313 VanDerWaalsContact O-N 3.09Å
312D41.9Very low34.2Very low152 Ų152118.4 Ų118.481%0.81371%0.714SS**  trans-77.389.3176.5-58.4-59.5000109.1
313D47.6Very low34.3Very low149 Ų149118.5 Ų118.580%0.79771%0.706SS**  trans-133.7143.4171.7-88.3-57.6000109.6T311T311-D313 PolarHBondContact O-N 2.96Å; T311-D313 VanDerWaalsContact O-N 3.09Å
314E43.7Very low34.2Very low197 Ų197119 Ų11992%0.92170%0.701SS**SBendtrans-77.9152.5-165.6-57.7-17212800114.2
315G36.4Very low34.2Very low90 Ų90120.8 Ų120.893%0.92871%0.706SS**  trans80.930.2157.100000118.3
316G33.1Very low33.9Very low71 Ų71119.9 Ų119.973%0.73271%0.709SS**  trans-106.6136176.400000115.2A318G316-A318 PolarHBondContact O-N 2.95Å
317H33.7Very low33.6Very low192 Ų192119.2 Ų119.289%0.88971%0.709SS**  trans-61.8133.4169.9-76.6-57.4000111.5V319H317-V319 PolarHBondContact O-N 2.97Å
318A27.6Very low33.1Very low106 Ų106118.8 Ų118.888%0.87671%0.711SS**  trans-70.381.1-174.500000113.9G316 G320G316-A318 PolarHBondContact O-N 2.95Å; A318-G320 PolarHBondContact O-N 2.86Å
319V29.8Very low32.6Very low137 Ų137120.4 Ų120.483%0.8372%0.717SS**  trans-69.7108.9168.9-177.80000108.9H317 A321H317-V319 PolarHBondContact O-N 2.97Å; V319-A321 PolarHBondContact O-N 2.85Å
320G27.1Very low32Very low59 Ų59113.8 Ų113.861%0.60870%0.704SS**PPolyproline II helixtrans-63.1123.9-172.100000113.7A318 V322A318-G320 PolarHBondContact O-N 2.86Å; G320-V322 PolarHBondContact O-N 2.85Å
321A26.7Very low31.7Very low63 Ų63112 Ų11252%0.52169%0.694SS.*PPolyproline II helixtrans-53.8119.2-178.700000113.1V319V319-A321 PolarHBondContact O-N 2.85Å
322V24.9Very low31.2Very low95 Ų95115.9 Ų115.958%0.57670%0.701SS**PPolyproline II helixtrans-81.6119177.1177.60000109.1G320 W324G320-V322 PolarHBondContact O-N 2.85Å; V322-W324 HydrophobicContact CG1-CD2 4.28Å; V322-W324 HydrophobicContact CG1-CH2 4.36Å; V322-W324 HydrophobicContact CG1-CZ2 4.06Å
323K27.1Very low30.8Very low101 Ų101113.8 Ų113.844%0.43969%0.689SS.*  trans-104.1117.4175.5-159.9163.7-173.6171.60109.5D306D306-K323 WeakPolarHBondContact OD1-CE 3.33Å; D306-K323 IonicContact OD1-NZ 2.63Å; D306-K323 PolarHBondContact OD1-NZ 3.06Å; D306-K323 IonicContact OD2-NZ 2.93Å; D306-K323 PolarHBondContact OD2-NZ 3.24Å
324W26.4Very low30.1Very low163 Ų163109.8 Ų109.862%0.61767%0.668SS**  trans-76.4148.8-176.3-56.898.6000111.4P107 V322P107-W324 HydrophobicContact CG-CE3 4.19Å; P107-W324 HydrophobicContact CG-CH2 4.19Å; P107-W324 HydrophobicContact CG-CZ3 3.62Å; V322-W324 HydrophobicContact CG1-CD2 4.28Å; V322-W324 HydrophobicContact CG1-CH2 4.36Å; V322-W324 HydrophobicContact CG1-CZ2 4.06Å
325V26.1Very low29.5Very low100 Ų100106.3 Ų106.361%0.60666%0.655SS**  trans-13199.6175.7-177.80000108.4V327V325-V327 HydrophobicContact CG1-CG2 4.17Å; V325-V327 PolarHBondContact O-N 3.28Å
326T26.7Very low29.3Very low108 Ų108103.9 Ų103.966%0.66363%0.626SS**  trans-74.7120173.8-52.50000109.3
327V27.2Very low29.2Very low95 Ų95106 Ų10658%0.57662%0.617SS**  trans-109.291.5174.3-176.80000108.8V325 V329V325-V327 HydrophobicContact CG1-CG2 4.17Å; V325-V327 PolarHBondContact O-N 3.28Å; V327-V329 PolarHBondContact O-N 3.19Å
328T26.7Very low29.1Very low124 Ų124102.3 Ų102.376%0.76160%0.603SS**  trans-73.1107.2169.226.40000109.8G330T328-G330 PolarHBondContact O-N 3.42Å
329V29.7Very low29.2Very low118 Ų11899.5 Ų99.572%0.71558%0.579SS**  trans-78.7107.5166.2-178.20000107.4V327 S331V327-V329 PolarHBondContact O-N 3.19Å; V329-S331 PolarHBondContact O-N 3.44Å
330G27.7Very low29.3Very low56 Ų56100.3 Ų100.358%0.57757%0.572SS**  trans-61129.2167.100000109.7T328T328-G330 PolarHBondContact O-N 3.42Å
331S30.9Very low29.6Very low57 Ų57104 Ų10440%0.39958%0.577SS.*  trans21137.5-179.8104.20000120.3V329 L333 D334V329-S331 PolarHBondContact O-N 3.44Å; S331-L333 PolarHBondContact O-N 3.14Å; S331-L333 VanDerWaalsContact O-N 3.12Å; S331-L333 PolarHBondContact OG-N 3.16Å; S331-L333 VanDerWaalsContact OG-N 3.12Å; S331-D334 WeakPolarHBondContact CB-OD2 3.32Å; S331-D334 PolarHBondContact OG-N 2.85Å; S331-D334 VanDerWaalsContact OG-N 3.08Å; S331-D334 PolarHBondContact OG-OD2 3.01Å
332F33.7Very low29.9Very low201 Ų201108.1 Ų108.188%0.88259%0.588SS**THydrogen-bonded Turntrans-66.5-7.6166.6-95.7-96.6000113.7
333L33.9Very low30.3Very low107 Ų107109.4 Ų109.456%0.5659%0.588SS**THydrogen-bonded Turntrans-89-30.8-176.6-66.4162.4000112.6S331 L335 A336 H337S331-L333 PolarHBondContact O-N 3.14Å; S331-L333 VanDerWaalsContact O-N 3.12Å; S331-L333 PolarHBondContact OG-N 3.16Å; S331-L333 VanDerWaalsContact OG-N 3.12Å; L333-L335 PolarHBondContact O-N 3.48Å; L333-A336 WeakPolarHBondContact O-CB 3.26Å; L333-A336 PolarHBondContact O-N 3.27Å; L333-H337 PolarHBondContact O-N 3.42Å
334D32.3Very low30.5Very low66 Ų66108 Ų10835%0.35360%0.602SS.*Hα-helixtrans-59.3-30.5-179.9-73.5-73000112.7S331 A336S331-D334 WeakPolarHBondContact CB-OD2 3.32Å; S331-D334 PolarHBondContact OG-N 2.85Å; S331-D334 VanDerWaalsContact OG-N 3.08Å; S331-D334 PolarHBondContact OG-OD2 3.01Å; D334-A336 VanDerWaalsContact C-N 3.31Å; D334-A336 PolarHBondContact O-N 3.05Å
335L32.5Very low30.8Very low123 Ų123105.4 Ų105.464%0.64461%0.609SS**Hα-helixtrans-75.5-18.7176.6-148.377.9000113.3L333L333-L335 PolarHBondContact O-N 3.48Å
336A31.3Very low31.1Very low40 Ų40109 Ų10933%0.33162%0.621SS.*Hα-helixtrans-87.5-40.8179.800000112.3L333 D334 I338 A339 F340L333-A336 WeakPolarHBondContact O-CB 3.26Å; L333-A336 PolarHBondContact O-N 3.27Å; D334-A336 VanDerWaalsContact C-N 3.31Å; D334-A336 PolarHBondContact O-N 3.05Å; A336-I338 VanDerWaalsContact C-N 3.3Å; A336-I338 PolarHBondContact O-N 3.23Å; A336-A339 WeakPolarHBondContact O-CB 3.37Å; A336-A339 PolarHBondContact O-N 3.16Å; A336-F340 PolarHBondContact O-N 3.43Å
337H31.8Very low31.5Very low114 Ų114107.1 Ų107.153%0.52862%0.623SS.*Hα-helixtrans-59.7-39-178.7-85.4-113.2000112.7L333 A339 F340 D341L333-H337 PolarHBondContact O-N 3.42Å; H337-A339 PolarHBondContact O-N 2.91Å; H337-A339 VanDerWaalsContact O-N 3.17Å; H337-F340 PolarHBondContact O-N 3.07Å; H337-D341 PolarHBondContact O-N 3.36Å
338I31.6Very low31.7Very low116 Ų116110.3 Ų110.360%0.59564%0.637SS**Hα-helixtrans-60.4-25.9175.9-60.1172000112.3A336A336-I338 VanDerWaalsContact C-N 3.3Å; A336-I338 PolarHBondContact O-N 3.23Å
339A30.1Very low32.5Very low46 Ų46113.4 Ų113.438%0.3864%0.64SS.*Hα-helixtrans-86.7-26.4179.700000113.8A336 H337A336-A339 WeakPolarHBondContact O-CB 3.37Å; A336-A339 PolarHBondContact O-N 3.16Å; H337-A339 PolarHBondContact O-N 2.91Å; H337-A339 VanDerWaalsContact O-N 3.17Å
340F31.6Very low33Very low154 Ų154115.1 Ų115.168%0.67565%0.645SS**Hα-helixtrans-85.9-38-179.8-84.3-81.1000113.2A336 H337 M342 Q343A336-F340 PolarHBondContact O-N 3.43Å; H337-F340 PolarHBondContact O-N 3.07Å; F340-M342 VanDerWaalsContact C-N 3.3Å; F340-M342 PolarHBondContact O-N 3.09Å; F340-Q343 WeakPolarHBondContact O-CB 3.49Å; F340-Q343 PolarHBondContact O-N 3.47Å
341D32.5Very low33.7Very low136 Ų136119.9 Ų119.973%0.72766%0.655SS**Hα-helixtrans-62.1-35.7-176-169.241.2000112.8H337 Q343 G344H337-D341 PolarHBondContact O-N 3.36Å; D341-Q343 PolarHBondContact O-N 3.03Å; D341-Q343 VanDerWaalsContact O-N 3.15Å; D341-G344 PolarHBondContact O-N 3.19Å
342M32.9Very low34Very low150 Ų150122.7 Ų122.774%0.73968%0.675SS**THydrogen-bonded Turntrans-67.6-12.9174.5-63.4-160-173.600114.3F340F340-M342 VanDerWaalsContact C-N 3.3Å; F340-M342 PolarHBondContact O-N 3.09Å
343Q32.9Very low34.4Very low123 Ų123121.7 Ų121.758%0.57567%0.673SS**THydrogen-bonded Turntrans-92.2-14.5-179.3-160.11640.500113.1F340 D341F340-Q343 WeakPolarHBondContact O-CB 3.49Å; F340-Q343 PolarHBondContact O-N 3.47Å; D341-Q343 PolarHBondContact O-N 3.03Å; D341-Q343 VanDerWaalsContact O-N 3.15Å
344G31.9Very low35.1Very low71 Ų71126.4 Ų126.473%0.73269%0.689SS**SBendtrans-79.6-12.8177.500000115.5D341D341-G344 PolarHBondContact O-N 3.19Å
345S32.2Very low36Very low109 Ų109133.4 Ų133.476%0.76273%0.734SS**  trans-103.735.6-168.2-147.70000115.1
346M34Very low36.2Very low175 Ų175133.9 Ų133.986%0.86274%0.739SS**  trans-117.187.5166-72-159.7-68.100110
347G33.4Very low36.4Very low69 Ų69138.8 Ų138.871%0.71176%0.76SS**  trans-67.9155.9-170.400000115.3K349G347-K349 PolarHBondContact O-N 3.3Å
348N32.4Very low36.7Very low161 Ų161140.2 Ų140.286%0.86177%0.773SS**  trans-47.6121.5176-76.5-26.3000112.4
349K42.5Very low37Very low190 Ų190141.6 Ų141.683%0.82678%0.784SS**  trans-109.6106156-74.2-168.7174.5-173.20108.3G347 I351G347-K349 PolarHBondContact O-N 3.3Å; K349-I351 PolarHBondContact O-N 3.09Å; K349-I351 VanDerWaalsContact O-N 3.11Å
350N40.2Very low37.4Very low154 Ų154147.6 Ų147.682%0.82481%0.809SS**  trans-59.5112.9175.3-68.9-18.6000109.8S352N350-S352 PolarHBondContact O-N 3.44Å
351I43Very low37.8Very low155 Ų155147.2 Ų147.280%0.79582%0.818SS**  trans-93.591.8163.8-61.1179.1000106.5K349K349-I351 PolarHBondContact O-N 3.09Å; K349-I351 VanDerWaalsContact O-N 3.11Å
352S37.9Very low38.2Very low117 Ų117148 Ų14882%0.81883%0.825SS**  trans-85.3108.8169-174.40000109N350N350-S352 PolarHBondContact O-N 3.44Å
353Q41.8Very low38.6Very low179 Ų179147.8 Ų147.884%0.83683%0.831SS**  trans-160.797.7166.8-121.3177.6-1.500109.8
354K48.9Very low39.1Very low206 Ų206149.9 Ų149.990%0.89685%0.853SS**  trans-15955.4169.3-142.4-179.8-174.8-175.10115.8
355T50.9Low39.7Very low213 Ų213157.1 Ų157.1100%1.30786%0.863SS**  trans-149.80152.345.90000107

Retrieved 355 of 355 residues in 67.1 ms (Link to these results)