A0A087Y7N0_POEFO Loading...

Zinc finger protein 512

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087Y7N0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 389 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
1M40.1Very low36.6Very low234 Ų234160.9 Ų160.9100%1.15383%0.831SS**  0143.70-71.6-170.4175.700107.5
2N32Very low36.6Very low148 Ų148160.6 Ų160.679%0.79183%0.829SS**  trans79.894.8-177.3-52.4-7.6000111.8
3E37.2Very low36.6Very low165 Ų165163.5 Ų163.577%0.77183%0.832SS**  48.489.554.5-77.3-127.1121.900112.7
4D35.7Very low36.9Very low165 Ų165165.9 Ų165.988%0.88283%0.834SS**  trans-126.7115.4157.1-98.5-59.6000109.1
5Q36.6Very low37Very low162 Ų162166.8 Ų166.876%0.75783%0.834SS**PPolyproline II helixtrans-75.9128.9-170.1-79157.9-1.500111.8
6K33.9Very low37.9Very low194 Ų194162.4 Ų162.484%0.84382%0.821SS**PPolyproline II helixtrans-78125.4169.8-168.7176.6-174.1175.60109.5I8K6-I8 PolarHBondContact O-N 3.22Å
7P36.4Very low39.1Very low111 Ų111157.5 Ų157.572%0.72180%0.803SS**PPolyproline II helixtrans-69.6132-177.324.3-31000112.1L9P7-L9 PolarHBondContact O-N 3.2Å
8I37.9Very low40.2Very low160 Ų160156.6 Ų156.682%0.82181%0.806SS**  trans-76108.1174.5-61.8167.4000108K6 L10K6-I8 PolarHBondContact O-N 3.22Å; I8-L10 PolarHBondContact O-N 3.09Å
9L37.5Very low41.8Very low166 Ų166150.9 Ų150.987%0.86977%0.774SS**  trans-77.4112172.1-70173.7000110P7P7-L9 PolarHBondContact O-N 3.2Å
10L38.1Very low43.1Very low148 Ų148147.7 Ų147.778%0.77576%0.763SS**  trans-67.6146.3171.2-71.8166.6000111I8 I12I8-L10 PolarHBondContact O-N 3.09Å; L10-I12 PolarHBondContact O-N 3.36Å
11P37.3Very low43.7Very low117 Ų117146.6 Ų146.676%0.7677%0.766SS**  trans-66.2117.1177.9-16.729.9000111.5K13P11-K13 PolarHBondContact O-N 2.92Å
12I36.6Very low44.8Very low157 Ų157138.2 Ų138.281%0.80574%0.739SS**  trans-59.3107.3170.1-63.6165.4000108.2L10 K14L10-I12 PolarHBondContact O-N 3.36Å; I12-K14 PolarHBondContact O-N 3.27Å
13K35.9Very low46.9Very low199 Ų199132.1 Ų132.187%0.86571%0.708SS**  trans-69.1107.3167.5-69.3178.8-179.3174.80107.1P11 E15P11-K13 PolarHBondContact O-N 2.92Å; K13-E15 PolarHBondContact O-N 3.29Å
14K41.4Very low48.6Very low197 Ų197128.3 Ų128.386%0.85769%0.69SS**PPolyproline II helixtrans-58.3127.1168.2-70.2-177.4176.8-176.80108.2I12I12-K14 PolarHBondContact O-N 3.27Å
15E38.3Very low50.6Low179 Ų179123.1 Ų123.184%0.83666%0.66SS**PPolyproline II helixtrans-53138.7175.9-69.8-178.415000110.5K13K13-E15 PolarHBondContact O-N 3.29Å
16P50.9Low52.7Low96 Ų96118.3 Ų118.362%0.62364%0.638SS**PPolyproline II helixtrans-65.5138.8178.526.1-31.1000109.8T18P16-T18 PolarHBondContact O-N 3.05Å
17P58.2Low54.9Low79 Ų79116.8 Ų116.851%0.51363%0.627SS.*PPolyproline II helixtrans-59.1122.2177.1-16.626.8000110.5Y19P17-Y19 HydrophobicContact CB-CE1 4.43Å; P17-Y19 HydrophobicContact CB-CE2 3.91Å; P17-Y19 HydrophobicContact CG-CE2 4.49Å; P17-Y19 WeakPolarHBondContact O-CD2 3Å; P17-Y19 PolarHBondContact O-N 3.15Å
18T60.4Low57.2Low141 Ų141112.2 Ų112.287%0.86560%0.595SS**  trans-78.3109.9174.8-53.70000108.7P16P16-T18 PolarHBondContact O-N 3.05Å
19Y69.3Low59.2Low49 Ų49107.1 Ų107.119%0.19257%0.568CS.*PPolyproline II helixtrans-93149.3172.3-59.8-75.2000109.6P17 E25 Q29 V51P17-Y19 HydrophobicContact CB-CE1 4.43Å; P17-Y19 HydrophobicContact CB-CE2 3.91Å; P17-Y19 HydrophobicContact CG-CE2 4.49Å; P17-Y19 WeakPolarHBondContact O-CD2 3Å; P17-Y19 PolarHBondContact O-N 3.15Å; Y19-E25 HydrophobicContact CD1-CB 3.62Å; Y19-E25 HydrophobicContact CD1-CG 4.28Å; Y19-E25 HydrophobicContact CE1-CB 4Å; Y19-E25 HydrophobicContact CE1-CG 4.4Å; Y19-E25 HydrophobicContact CG-CB 3.91Å; Y19-Q29 HydrophobicContact CD2-CB 4.35Å; Y19-Q29 HydrophobicContact CE2-CB 4.35Å; Y19-Q29 HydrophobicContact CE2-CG 4.4Å; Y19-V51 HydrophobicContact CE1-CG1 4.32Å; Y19-V51 HydrophobicContact CE2-CG1 4.48Å; Y19-V51 HydrophobicContact CE2-CG2 4.29Å
20P67.4Low61.3Low87 Ų87104.2 Ų104.257%0.56555%0.553SS**PPolyproline II helixtrans-62.3140.8179.719.3-27.5000111.9G22 S23P20-G22 PolarHBondContact O-N 2.78Å; P20-S23 VanDerWaalsContact O-CB 3.26Å; P20-S23 WeakPolarHBondContact O-CB 3.49Å; P20-S23 PolarHBondContact O-N 3.27Å; P20-S23 VanDerWaalsContact O-N 3.16Å; P20-S23 PolarHBondContact O-OG 3.43Å
21P57.3Low63.3Low125 Ų125100.2 Ų100.281%0.81253%0.53SS*.THydrogen-bonded Turntrans-58.3126.9-178.4-23.733000112.4E26P21-E26 VanDerWaalsContact CA-OE2 3.3Å; P21-E26 WeakPolarHBondContact CA-OE2 3.34Å
22G62.8Low65.5Low57 Ų5795.6 Ų95.659%0.58850%0.499SS*.THydrogen-bonded Turntrans91.7-1.5-178.800000115.3P20 E26P20-G22 PolarHBondContact O-N 2.78Å; G22-E26 PolarHBondContact N-OE2 2.9Å
23S76.1Confident67.7Low20 Ų2093.4 Ų93.414%0.1449%0.493CS..  trans-70.9155.4-179.362.10000113.5P20 E25 E26 R27P20-S23 VanDerWaalsContact O-CB 3.26Å; P20-S23 WeakPolarHBondContact O-CB 3.49Å; P20-S23 PolarHBondContact O-N 3.27Å; P20-S23 VanDerWaalsContact O-N 3.16Å; P20-S23 PolarHBondContact O-OG 3.43Å; S23-E25 PolarHBondContact O-N 3.42Å; S23-E26 PolarHBondContact O-N 3.21Å; S23-E26 WeakPolarHBondContact OG-CB 3.4Å; S23-E26 PolarHBondContact OG-N 3.11Å; S23-R27 PolarHBondContact O-N 2.8Å; S23-R27 VanDerWaalsContact O-N 3.15Å
24Q72.2Confident69.9Low85 Ų8588 Ų8840%0.39748%0.484SS..Hα-helixtrans-64.1-32.1177.3-17569.81.300111.1R27 W28Q24-R27 PolarHBondContact O-N 2.94Å; Q24-W28 HydrophobicContact CG-CD2 4.15Å; Q24-W28 HydrophobicContact CG-CE3 4.45Å; Q24-W28 HydrophobicContact CG-CH2 3.63Å; Q24-W28 HydrophobicContact CG-CZ2 3.27Å; Q24-W28 HydrophobicContact CG-CZ3 4.21Å; Q24-W28 VanDerWaalsContact O-CD2 3.27Å; Q24-W28 PolarHBondContact O-N 3.43Å
25E78.3Confident71.7Confident57 Ų5786.5 Ų86.527%0.26648%0.478SS..Hα-helixtrans-65.7-41.6174.4-67.176-169.200112.6Y19 S23 W28 Q29 V51Y19-E25 HydrophobicContact CD1-CB 3.62Å; Y19-E25 HydrophobicContact CD1-CG 4.28Å; Y19-E25 HydrophobicContact CE1-CB 4Å; Y19-E25 HydrophobicContact CE1-CG 4.4Å; Y19-E25 HydrophobicContact CG-CB 3.91Å; S23-E25 PolarHBondContact O-N 3.42Å; E25-W28 HydrophobicContact CG-CE3 4.4Å; E25-W28 HydrophobicContact CG-CZ3 4.37Å; E25-W28 PolarHBondContact O-N 3.08Å; E25-Q29 WeakPolarHBondContact O-CB 3.45Å; E25-Q29 PolarHBondContact O-N 3.09Å; E25-V51 HydrophobicContact CB-CG1 3.97Å; E25-V51 HydrophobicContact CG-CG1 4.04Å
26E80.7Confident73.6Confident61 Ų6180 Ų8029%0.28546%0.459SS..Hα-helixtrans-64.6-43174.4-174.1-173.8-157.100111.2P21 G22 S23 W28 Q29 L30P21-E26 VanDerWaalsContact CA-OE2 3.3Å; P21-E26 WeakPolarHBondContact CA-OE2 3.34Å; G22-E26 PolarHBondContact N-OE2 2.9Å; S23-E26 PolarHBondContact O-N 3.21Å; S23-E26 WeakPolarHBondContact OG-CB 3.4Å; S23-E26 PolarHBondContact OG-N 3.11Å; E26-W28 VanDerWaalsContact C-N 3.3Å; E26-W28 PolarHBondContact O-N 3.3Å; E26-Q29 WeakPolarHBondContact O-CB 3.37Å; E26-Q29 PolarHBondContact O-N 3.26Å; E26-Q29 VanDerWaalsContact O-N 3.13Å; E26-L30 HydrophobicContact CG-CD1 4.21Å; E26-L30 HydrophobicContact CG-CG 4.45Å; E26-L30 WeakPolarHBondContact O-CB 3.44Å; E26-L30 WeakPolarHBondContact O-CG 3.36Å; E26-L30 PolarHBondContact O-N 3.4Å
27R79.4Confident75.1Confident161 Ų16181.8 Ų81.861%0.60845%0.453SS*.Hα-helixtrans-60-40.9174.7-69.6179.2179.5-172.7-1.2111.9S23 Q24 Q31S23-R27 PolarHBondContact O-N 2.8Å; S23-R27 VanDerWaalsContact O-N 3.15Å; Q24-R27 PolarHBondContact O-N 2.94Å; R27-Q31 WeakPolarHBondContact O-CB 3.49Å; R27-Q31 PolarHBondContact O-N 3.2Å
28W85Confident76.3Confident16 Ų1678 Ų786%0.06143%0.429CS..Hα-helixtrans-66.8-39.4174.6-65.4-22.3000112.1Q24 E25 E26 Q31 I32 V38 P41 V51 L54 M58Q24-W28 HydrophobicContact CG-CD2 4.15Å; Q24-W28 HydrophobicContact CG-CE3 4.45Å; Q24-W28 HydrophobicContact CG-CH2 3.63Å; Q24-W28 HydrophobicContact CG-CZ2 3.27Å; Q24-W28 HydrophobicContact CG-CZ3 4.21Å; Q24-W28 VanDerWaalsContact O-CD2 3.27Å; Q24-W28 PolarHBondContact O-N 3.43Å; E25-W28 HydrophobicContact CG-CE3 4.4Å; E25-W28 HydrophobicContact CG-CZ3 4.37Å; E25-W28 PolarHBondContact O-N 3.08Å; E26-W28 VanDerWaalsContact C-N 3.3Å; E26-W28 PolarHBondContact O-N 3.3Å; W28-Q31 PolarHBondContact O-N 3.01Å; W28-I32 WeakPolarHBondContact O-CB 3.36Å; W28-I32 WeakPolarHBondContact O-CD1 3.44Å; W28-I32 WeakPolarHBondContact O-CG1 3.43Å; W28-I32 PolarHBondContact O-N 2.95Å; W28-V38 HydrophobicContact CB-CB 4.48Å; W28-V38 HydrophobicContact CB-CG1 4.48Å; W28-V38 HydrophobicContact CB-CG2 3.98Å; W28-V38 HydrophobicContact CG-CG2 3.85Å; W28-P41 HydrophobicContact CZ2-CG 4.41Å; W28-V51 HydrophobicContact CB-CG2 4.24Å; W28-V51 HydrophobicContact CE3-CG1 4.26Å; W28-L54 HydrophobicContact CD2-CD2 3.59Å; W28-L54 HydrophobicContact CE3-CD2 3.99Å; W28-L54 HydrophobicContact CG-CD2 3.87Å; W28-L54 HydrophobicContact CZ2-CD2 4.2Å; W28-L54 HydrophobicContact CZ3-CD2 4.48Å; W28-M58 HydrophobicContact CH2-CE 3.85Å; W28-M58 HydrophobicContact CH2-SD 3.25Å; W28-M58 WeakPolarHBondContact CH2-SD 3.49Å; W28-M58 HydrophobicContact CZ2-CE 3.96Å; W28-M58 HydrophobicContact CZ2-SD 3.44Å; W28-M58 WeakPolarHBondContact CZ2-SD 3.28Å; W28-M58 HydrophobicContact CZ3-SD 4.17Å
29Q80.3Confident77.3Confident52 Ų5274.5 Ų74.524%0.24341%0.407CS..Hα-helixtrans-63.9-46.4176.1-17464.51.400111.3Y19 E25 E26 Q31 I32 V33 V51Y19-Q29 HydrophobicContact CD2-CB 4.35Å; Y19-Q29 HydrophobicContact CE2-CB 4.35Å; Y19-Q29 HydrophobicContact CE2-CG 4.4Å; E25-Q29 WeakPolarHBondContact O-CB 3.45Å; E25-Q29 PolarHBondContact O-N 3.09Å; E26-Q29 WeakPolarHBondContact O-CB 3.37Å; E26-Q29 PolarHBondContact O-N 3.26Å; E26-Q29 VanDerWaalsContact O-N 3.13Å; Q29-Q31 VanDerWaalsContact C-N 3.3Å; Q29-Q31 PolarHBondContact O-N 3.23Å; Q29-I32 WeakPolarHBondContact O-CB 3.48Å; Q29-I32 PolarHBondContact O-N 3.42Å; Q29-I32 VanDerWaalsContact O-N 3.13Å; Q29-V33 WeakPolarHBondContact O-CG2 3.33Å; Q29-V33 PolarHBondContact O-N 3Å; Q29-V51 HydrophobicContact CB-CG2 3.9Å; Q29-V51 VanDerWaalsContact OE1-CG2 3.24Å
30L82.2Confident77.8Confident106 Ų10672.2 Ų72.256%0.55540%0.398SS*.Hα-helixtrans-60.2-40.1174.3-70171.6000111.5E26 V33 A34E26-L30 HydrophobicContact CG-CD1 4.21Å; E26-L30 HydrophobicContact CG-CG 4.45Å; E26-L30 WeakPolarHBondContact O-CB 3.44Å; E26-L30 WeakPolarHBondContact O-CG 3.36Å; E26-L30 PolarHBondContact O-N 3.4Å; L30-V33 PolarHBondContact O-N 2.79Å; L30-A34 VanDerWaalsContact O-CB 3.29Å; L30-A34 WeakPolarHBondContact O-CB 3.45Å; L30-A34 PolarHBondContact O-N 3.39Å
31Q79.3Confident78.2Confident64 Ų6471.1 Ų71.130%0.29939%0.392SS..Hα-helixtrans-67.6-35.3175.1-170.8173.8-2.200112.6R27 W28 Q29 K35R27-Q31 WeakPolarHBondContact O-CB 3.49Å; R27-Q31 PolarHBondContact O-N 3.2Å; W28-Q31 PolarHBondContact O-N 3.01Å; Q29-Q31 VanDerWaalsContact C-N 3.3Å; Q29-Q31 PolarHBondContact O-N 3.23Å; Q31-K35 HydrophobicContact CG-CD 4.49Å; Q31-K35 WeakPolarHBondContact O-CB 3.36Å; Q31-K35 PolarHBondContact O-N 3Å
32I83.4Confident78.8Confident20 Ų2070.1 Ų70.110%0.10337%0.374CS..Hα-helixtrans-67.5-41.9173-70.1159.7000110.5W28 Q29 G36 V38 K49 V51W28-I32 WeakPolarHBondContact O-CB 3.36Å; W28-I32 WeakPolarHBondContact O-CD1 3.44Å; W28-I32 WeakPolarHBondContact O-CG1 3.43Å; W28-I32 PolarHBondContact O-N 2.95Å; Q29-I32 WeakPolarHBondContact O-CB 3.48Å; Q29-I32 PolarHBondContact O-N 3.42Å; Q29-I32 VanDerWaalsContact O-N 3.13Å; I32-G36 CarbonylContact O-C 3.53Å; I32-G36 WeakPolarHBondContact O-CA 3.39Å; I32-G36 PolarHBondContact O-N 3.26Å; I32-V38 HydrophobicContact CD1-CB 4.28Å; I32-V38 HydrophobicContact CD1-CG1 3.66Å; I32-V38 HydrophobicContact CG1-CB 3.82Å; I32-V38 HydrophobicContact CG1-CG1 3.68Å; I32-K49 VanDerWaalsContact CG2-O 3.29Å; I32-K49 WeakPolarHBondContact CG2-O 3.36Å; I32-V51 HydrophobicContact CD1-CG2 3.71Å
33V82.9Confident79Confident111 Ų11169.1 Ų69.167%0.67336%0.358SS*.Hα-helixtrans-65.8-42.4177.4172.50000110.8Q29 L30Q29-V33 WeakPolarHBondContact O-CG2 3.33Å; Q29-V33 PolarHBondContact O-N 3Å; L30-V33 PolarHBondContact O-N 2.79Å
34A82.7Confident78.8Confident84 Ų8476.3 Ų76.369%0.69439%0.387SS*.Hα-helixtrans-76.2-38.9-178.100000114.2L30L30-A34 VanDerWaalsContact O-CB 3.29Å; L30-A34 WeakPolarHBondContact O-CB 3.45Å; L30-A34 PolarHBondContact O-N 3.39Å
35K79.4Confident78.7Confident166 Ų16676.9 Ų76.972%0.72240%0.4SS*.Hα-helixtrans-117.7-0.1-172.3-63.7-176.9176.9177.70114Q31 R37Q31-K35 HydrophobicContact CG-CD 4.49Å; Q31-K35 WeakPolarHBondContact O-CB 3.36Å; Q31-K35 PolarHBondContact O-N 3Å; K35-R37 PolarHBondContact O-N 3.34Å; K35-R37 VanDerWaalsContact O-N 3.1Å
36G78.5Confident78.5Confident42 Ų4276 Ų7643%0.43340%0.399SS..SBendtrans73.2-10.9-176.900000115.1I32I32-G36 CarbonylContact O-C 3.53Å; I32-G36 WeakPolarHBondContact O-CA 3.39Å; I32-G36 PolarHBondContact O-N 3.26Å
37R80.5Confident78.4Confident134 Ų13475.6 Ų75.651%0.50640%0.403SS..  trans-153.7148179.9-59-177.1-146.5-140.54111.4K35 R48 K49K35-R37 PolarHBondContact O-N 3.34Å; K35-R37 VanDerWaalsContact O-N 3.1Å; R37-R48 CarbonylContact C-O 3.52Å; R37-R48 VanDerWaalsContact CA-O 3.26Å; R37-R48 WeakPolarHBondContact CA-O 3.43Å; R37-K49 HydrophobicContact CG-CG 3.98Å
38V84.1Confident78.5Confident0 Ų073.4 Ų73.40%039%0.394CS..EExtended strand (participates in β ladder)trans-108.7133.9168.760.50000110W28 I32 S47 R48 L54W28-V38 HydrophobicContact CB-CB 4.48Å; W28-V38 HydrophobicContact CB-CG1 4.48Å; W28-V38 HydrophobicContact CB-CG2 3.98Å; W28-V38 HydrophobicContact CG-CG2 3.85Å; I32-V38 HydrophobicContact CD1-CB 4.28Å; I32-V38 HydrophobicContact CD1-CG1 3.66Å; I32-V38 HydrophobicContact CG1-CB 3.82Å; I32-V38 HydrophobicContact CG1-CG1 3.68Å; V38-S47 CarbonylContact O-C 3.57Å; V38-S47 VanDerWaalsContact O-CA 3.27Å; V38-S47 WeakPolarHBondContact O-CA 2.77Å; V38-R48 PolarHBondContact N-O 2.87Å; V38-R48 PolarHBondContact O-N 3.49Å; V38-L54 HydrophobicContact CB-CD2 4.24Å; V38-L54 HydrophobicContact CG1-CB 4.09Å; V38-L54 HydrophobicContact CG1-CD2 3.57Å; V38-L54 HydrophobicContact CG1-CG 4.35Å; V38-L54 HydrophobicContact CG2-CD2 3.65Å
39T81.6Confident78.3Confident68 Ų6879.2 Ų79.242%0.41742%0.42SS..EExtended strand (participates in β ladder)trans-90.1138.4175.147.90000110.4P41T39-P41 WeakPolarHBondContact O-CD 3.3Å
40C80.4Confident78.5Confident0 Ų080.5 Ų80.50%043%0.432CS..  trans-61.6123.5177179.30000111.7K42 C43 K44 V46 L54 H57C40-K42 PolarHBondContact O-N 3.11Å; C40-K42 PolarHBondContact SG-N 3.38Å; C40-C43 VanDerWaalsContact CB-SG 3.57Å; C40-K44 WeakPolarHBondContact O-CA 3.45Å; C40-K44 PolarHBondContact O-N 2.85Å; C40-V46 PolarHBondContact N-O 2.74Å; C40-L54 HydrophobicContact CB-CD1 3.69Å; C40-H57 WeakPolarHBondContact CB-NE2 3.14Å; C40-H57 PolarHBondContact SG-CD2 2.85Å; C40-H57 PolarHBondContact SG-NE2 3.34Å
41P75.6Confident78.5Confident65 Ų6575.6 Ų75.642%0.42241%0.406SS..THydrogen-bonded Turntrans-62.9-29178.3-23.834.2000113.5W28 T39W28-P41 HydrophobicContact CZ2-CG 4.41Å; T39-P41 WeakPolarHBondContact O-CD 3.3Å
42K68.8Low78.6Confident103 Ų10377.3 Ų77.345%0.44841%0.414SS..THydrogen-bonded Turntrans-74.6-56.6-179.4-66.8-177.1178.9-179.90111.6C40 M58 C61 L63C40-K42 PolarHBondContact O-N 3.11Å; C40-K42 PolarHBondContact SG-N 3.38Å; K42-M58 HydrophobicContact CD-CE 4.44Å; K42-C61 HydrophobicContact CD-CB 4.43Å; K42-L63 HydrophobicContact CB-CD2 4.07Å; K42-L63 HydrophobicContact CB-CG 4.49Å; K42-L63 WeakPolarHBondContact O-CD2 3.1Å
43C68.6Low78.5Confident36 Ų3677.3 Ų77.324%0.24342%0.419CS..THydrogen-bonded Turntrans-99.1-12.9-173.571.70000115.2C40 S45 H57C40-C43 VanDerWaalsContact CB-SG 3.57Å; C43-S45 WeakPolarHBondContact O-CB 3.28Å; C43-S45 PolarHBondContact O-N 3.32Å; C43-S45 PolarHBondContact O-OG 2.77Å; C43-S45 PolarHBondContact SG-OG 2.8Å; C43-H57 PolarHBondContact SG-NE2 2.89Å
44K71.1Confident78.4Confident171 Ų17172 Ų7274%0.74339%0.387SS*.SBendtrans48.70.3-174-62.6-179.2-178.4176.20116.5C40C40-K44 WeakPolarHBondContact O-CA 3.45Å; C40-K44 PolarHBondContact O-N 2.85Å
45S69.4Low78.4Confident97 Ų9772.6 Ų72.668%0.67837%0.374SS*.SBendtrans-102.6-23.1-170.954.50000112.7C43C43-S45 WeakPolarHBondContact O-CB 3.28Å; C43-S45 PolarHBondContact O-N 3.32Å; C43-S45 PolarHBondContact O-OG 2.77Å; C43-S45 PolarHBondContact SG-OG 2.8Å
46V73.6Confident78.4Confident40 Ų4071.6 Ų71.624%0.24237%0.369CS..  trans-106.5121.3179.1-178.20000109.6C40 R48C40-V46 PolarHBondContact N-O 2.74Å; V46-R48 HydrophobicContact CG1-CG 4.24Å
47S79.6Confident78.3Confident52 Ų5271.1 Ų71.136%0.36436%0.356SS..EExtended strand (participates in β ladder)trans-105.9134.317170.90000110.8V38V38-S47 CarbonylContact O-C 3.57Å; V38-S47 VanDerWaalsContact O-CA 3.27Å; V38-S47 WeakPolarHBondContact O-CA 2.77Å
48R81.8Confident78.1Confident115 Ų11566.6 Ų66.643%0.43434%0.341SS..EExtended strand (participates in β ladder)trans-122.5152.6178.8-62.3-63.5-173.4178.30.2110.8R37 V38 V46 L54R37-R48 CarbonylContact C-O 3.52Å; R37-R48 VanDerWaalsContact CA-O 3.26Å; R37-R48 WeakPolarHBondContact CA-O 3.43Å; V38-R48 PolarHBondContact N-O 2.87Å; V38-R48 PolarHBondContact O-N 3.49Å; V46-R48 HydrophobicContact CG1-CG 4.24Å; R48-L54 HydrophobicContact CB-CB 4.27Å
49K81.1Confident77.6Confident137 Ų13773.7 Ų73.760%0.59637%0.374SS*.SBendtrans-93.2-6.6-179.2-66-179.5177.7-173.50113.2I32 R37I32-K49 VanDerWaalsContact CG2-O 3.29Å; I32-K49 WeakPolarHBondContact CG2-O 3.36Å; R37-K49 HydrophobicContact CG-CG 3.98Å
50T83.8Confident76.9Confident80 Ų8077 Ų7749%0.49139%0.389SS..SBendtrans-135.9145.6-177.5570000109.8G53 L54T50-G53 PolarHBondContact O-N 2.94Å; T50-G53 PolarHBondContact OG1-N 3.31Å; T50-L54 PolarHBondContact O-N 3.45Å; T50-L54 VanDerWaalsContact O-N 3.15Å
51V82.3Confident76.4Confident3 Ų377.9 Ų77.92%0.01840%0.395CS..Hα-helixtrans-60.5-47.2176.81750000110.6Y19 E25 W28 Q29 I32 G53 L54 K55Y19-V51 HydrophobicContact CE1-CG1 4.32Å; Y19-V51 HydrophobicContact CE2-CG1 4.48Å; Y19-V51 HydrophobicContact CE2-CG2 4.29Å; E25-V51 HydrophobicContact CB-CG1 3.97Å; E25-V51 HydrophobicContact CG-CG1 4.04Å; W28-V51 HydrophobicContact CB-CG2 4.24Å; W28-V51 HydrophobicContact CE3-CG1 4.26Å; Q29-V51 HydrophobicContact CB-CG2 3.9Å; Q29-V51 VanDerWaalsContact OE1-CG2 3.24Å; I32-V51 HydrophobicContact CD1-CG2 3.71Å; V51-G53 VanDerWaalsContact C-N 3.28Å; V51-G53 PolarHBondContact O-N 2.74Å; V51-L54 WeakPolarHBondContact O-CB 3.08Å; V51-L54 PolarHBondContact O-N 3.4Å; V51-K55 PolarHBondContact O-N 2.87Å
52E81.2Confident75.8Confident100 Ų10085.5 Ų85.547%0.46742%0.415SS..Hα-helixtrans-57.6-39.2176.6-138.363.5-137.700113L54 K55 K56E52-L54 VanDerWaalsContact C-N 3.31Å; E52-L54 PolarHBondContact O-N 3.12Å; E52-K55 PolarHBondContact O-N 3.4Å; E52-K56 PolarHBondContact O-N 2.88Å; E52-K56 VanDerWaalsContact O-N 3.11Å
53G80.7Confident75.2Confident20 Ų2086 Ų8621%0.20642%0.422CS..Hα-helixtrans-70.1-29.2178.800000112.9T50 V51T50-G53 PolarHBondContact O-N 2.94Å; T50-G53 PolarHBondContact OG1-N 3.31Å; V51-G53 VanDerWaalsContact C-N 3.28Å; V51-G53 PolarHBondContact O-N 2.74Å
54L81.3Confident74.5Confident0 Ų091.2 Ų91.20%044%0.443CS..Hα-helixtrans-75.3-41.9171.5178.961.9000111.3W28 V38 C40 R48 T50 V51 E52 K56 H57 M58W28-L54 HydrophobicContact CD2-CD2 3.59Å; W28-L54 HydrophobicContact CE3-CD2 3.99Å; W28-L54 HydrophobicContact CG-CD2 3.87Å; W28-L54 HydrophobicContact CZ2-CD2 4.2Å; W28-L54 HydrophobicContact CZ3-CD2 4.48Å; V38-L54 HydrophobicContact CB-CD2 4.24Å; V38-L54 HydrophobicContact CG1-CB 4.09Å; V38-L54 HydrophobicContact CG1-CD2 3.57Å; V38-L54 HydrophobicContact CG1-CG 4.35Å; V38-L54 HydrophobicContact CG2-CD2 3.65Å; C40-L54 HydrophobicContact CB-CD1 3.69Å; R48-L54 HydrophobicContact CB-CB 4.27Å; T50-L54 PolarHBondContact O-N 3.45Å; T50-L54 VanDerWaalsContact O-N 3.15Å; V51-L54 WeakPolarHBondContact O-CB 3.08Å; V51-L54 PolarHBondContact O-N 3.4Å; E52-L54 VanDerWaalsContact C-N 3.31Å; E52-L54 PolarHBondContact O-N 3.12Å; L54-K56 PolarHBondContact O-N 2.91Å; L54-H57 WeakPolarHBondContact O-CA 3.27Å; L54-H57 WeakPolarHBondContact O-CB 3.25Å; L54-H57 PolarHBondContact O-N 3.26Å; L54-H57 VanDerWaalsContact O-N 3.08Å; L54-M58 HydrophobicContact CD1-CG 4.25Å; L54-M58 HydrophobicContact CD1-SD 4.48Å; L54-M58 HydrophobicContact CG-CG 4.38Å; L54-M58 HydrophobicContact CG-SD 4.17Å; L54-M58 WeakPolarHBondContact O-CG 3.28Å; L54-M58 PolarHBondContact O-N 3.44Å
55K82.1Confident74Confident95 Ų9585.4 Ų85.441%0.41342%0.423SS..Hα-helixtrans-57.4-50.1178.9-168.5174179.5177.50112.1V51 E52 H57 M58 E59V51-K55 PolarHBondContact O-N 2.87Å; E52-K55 PolarHBondContact O-N 3.4Å; K55-H57 VanDerWaalsContact C-N 3.27Å; K55-H57 PolarHBondContact O-N 2.9Å; K55-M58 WeakPolarHBondContact O-CB 3.48Å; K55-M58 PolarHBondContact O-N 3.22Å; K55-E59 PolarHBondContact O-N 3.04Å
56K80.4Confident73.8Confident145 Ų14584.6 Ų84.663%0.6341%0.407SS*.Hα-helixtrans-58.3-36.5173.5-73.3-176.7177.1-176.80113.5E52 L54E52-K56 PolarHBondContact O-N 2.88Å; E52-K56 VanDerWaalsContact O-N 3.11Å; L54-K56 PolarHBondContact O-N 2.91Å
57H76.4Confident73.6Confident32 Ų3287 Ų8715%0.14842%0.418CS..Hα-helixtrans-68.7-38.4175.5167.168.1000111.5C40 C43 L54 K55 E59 N60 C61C40-H57 WeakPolarHBondContact CB-NE2 3.14Å; C40-H57 PolarHBondContact SG-CD2 2.85Å; C40-H57 PolarHBondContact SG-NE2 3.34Å; C43-H57 PolarHBondContact SG-NE2 2.89Å; L54-H57 WeakPolarHBondContact O-CA 3.27Å; L54-H57 WeakPolarHBondContact O-CB 3.25Å; L54-H57 PolarHBondContact O-N 3.26Å; L54-H57 VanDerWaalsContact O-N 3.08Å; K55-H57 VanDerWaalsContact C-N 3.27Å; K55-H57 PolarHBondContact O-N 2.9Å; H57-E59 VanDerWaalsContact C-N 3.31Å; H57-E59 PolarHBondContact O-N 3.49Å; H57-N60 CarbonylContact O-C 2.94Å; H57-N60 PolarHBondContact O-N 3.49Å; H57-C61 WeakPolarHBondContact O-CB 3.26Å; H57-C61 PolarHBondContact O-N 3.42Å
58M76.3Confident73.3Confident39 Ų3984.6 Ų84.619%0.19240%0.401CS..Hα-helixtrans-67.9-27.6-179.6-74.3-176.364.500113.9W28 K42 L54 K55W28-M58 HydrophobicContact CH2-CE 3.85Å; W28-M58 HydrophobicContact CH2-SD 3.25Å; W28-M58 WeakPolarHBondContact CH2-SD 3.49Å; W28-M58 HydrophobicContact CZ2-CE 3.96Å; W28-M58 HydrophobicContact CZ2-SD 3.44Å; W28-M58 WeakPolarHBondContact CZ2-SD 3.28Å; W28-M58 HydrophobicContact CZ3-SD 4.17Å; K42-M58 HydrophobicContact CD-CE 4.44Å; L54-M58 HydrophobicContact CD1-CG 4.25Å; L54-M58 HydrophobicContact CD1-SD 4.48Å; L54-M58 HydrophobicContact CG-CG 4.38Å; L54-M58 HydrophobicContact CG-SD 4.17Å; L54-M58 WeakPolarHBondContact O-CG 3.28Å; L54-M58 PolarHBondContact O-N 3.44Å; K55-M58 WeakPolarHBondContact O-CB 3.48Å; K55-M58 PolarHBondContact O-N 3.22Å
59E74.4Confident72.6Confident149 Ų14988.1 Ų88.170%0.69642%0.422SS*.Hα-helixtrans-66.4-38171.8-69.1174.8154.200111.8K55 H57K55-E59 PolarHBondContact O-N 3.04Å; H57-E59 VanDerWaalsContact C-N 3.31Å; H57-E59 PolarHBondContact O-N 3.49Å
60N65.4Low71.8Confident138 Ų13887.9 Ų87.974%0.73842%0.423SS*.Hα-helixtrans-99.31.9-179.1-102.368.5000114.6H57 R62H57-N60 CarbonylContact O-C 2.94Å; H57-N60 PolarHBondContact O-N 3.49Å; N60-R62 PolarHBondContact O-N 3.09Å
61C71.6Confident70.9Confident18 Ų1886.8 Ų86.812%0.12242%0.418CS..  trans-77.983.1-176-176.70000111K42 H57K42-C61 HydrophobicContact CD-CB 4.43Å; H57-C61 WeakPolarHBondContact O-CB 3.26Å; H57-C61 PolarHBondContact O-N 3.42Å
62R62.5Low70.1Confident226 Ų22688.9 Ų88.985%0.85344%0.44SS*.  trans-81122170.6-64.8-174.5-177.9-179.10.7109.9N60 Q64N60-R62 PolarHBondContact O-N 3.09Å; R62-Q64 VanDerWaalsContact C-N 3.33Å; R62-Q64 PolarHBondContact O-N 2.83Å
63L56.3Low69.7Low112 Ų11289.5 Ų89.559%0.58644%0.441SS*.  trans-79.91.2-169.4-79.8165.3000115.7K42 P65K42-L63 HydrophobicContact CB-CD2 4.07Å; K42-L63 HydrophobicContact CB-CG 4.49Å; K42-L63 WeakPolarHBondContact O-CD2 3.1Å; L63-P65 WeakPolarHBondContact O-CD 3.46Å
64Q53.4Low69.4Low146 Ų14694.8 Ų94.868%0.68246%0.461SS*.  trans-95.1114.8-177-75.6-69.2-19.300110.5R62 F66R62-Q64 VanDerWaalsContact C-N 3.33Å; R62-Q64 PolarHBondContact O-N 2.83Å; Q64-F66 PolarHBondContact O-N 3.4Å
65P60.7Low69.1Low50 Ų5096.9 Ų96.933%0.32547%0.472SS..  trans-58.2130.1164.424.4-29.4000107.9L63 I67 Q74L63-P65 WeakPolarHBondContact O-CD 3.46Å; P65-I67 PolarHBondContact O-N 2.95Å; P65-Q74 HydrophobicContact CB-CB 3.97Å; P65-Q74 HydrophobicContact CB-CG 3.98Å; P65-Q74 HydrophobicContact CG-CG 4.26Å
66F65.6Low68.4Low79 Ų79102.7 Ų102.735%0.34650%0.497SS..EExtended strand (participates in β ladder)trans-69.9109.5177.7-64.9-90.1000107.2Q64 Q74 L75 S77 S78 M81Q64-F66 PolarHBondContact O-N 3.4Å; F66-Q74 CarbonylContact O-C 3.55Å; F66-Q74 WeakPolarHBondContact O-CA 3.43Å; F66-L75 HydrophobicContact CB-CB 4.45Å; F66-L75 PolarHBondContact N-O 3.43Å; F66-L75 PolarHBondContact O-N 3.18Å; F66-S77 VanDerWaalsContact CE2-C 3.44Å; F66-S78 VanDerWaalsContact CD2-N 3.33Å; F66-S78 VanDerWaalsContact CE1-CB 3.48Å; F66-M81 HydrophobicContact CB-CB 3.96Å; F66-M81 HydrophobicContact CB-CE 3.57Å; F66-M81 HydrophobicContact CB-CG 4.35Å; F66-M81 HydrophobicContact CG-CB 4.47Å; F66-M81 WeakPolarHBondContact O-CE 3.3Å
67I68.8Low68Low91 Ų9198.3 Ų98.347%0.46749%0.485SS..EExtended strand (participates in β ladder)trans-90.1127.6177.4-63.8161.9000108.5P65 Q69 K73 Q74P65-I67 PolarHBondContact O-N 2.95Å; I67-Q69 PolarHBondContact O-N 3.07Å; I67-K73 WeakPolarHBondContact CA-O 3.48Å; I67-Q74 HydrophobicContact CD1-CG 4.48Å; I67-Q74 HydrophobicContact CG1-CG 3.62Å
68C73Confident67.7Low1 Ų1100 Ų1001%0.00750%0.5CS..  trans-73.2122174.7-177.90000108.7H70 C71 G72 K73 M81 H84 H89C68-H70 PolarHBondContact O-N 3.18Å; C68-H70 PolarHBondContact SG-N 3.37Å; C68-C71 PolarHBondContact O-N 3.12Å; C68-G72 VanDerWaalsContact O-CA 3.23Å; C68-G72 WeakPolarHBondContact O-CA 3.05Å; C68-G72 PolarHBondContact O-N 2.89Å; C68-K73 PolarHBondContact N-O 3.23Å; C68-M81 HydrophobicContact CB-CE 3.92Å; C68-M81 HydrophobicContact CB-SD 3.77Å; C68-H84 VanDerWaalsContact CB-NE2 3.31Å; C68-H84 WeakPolarHBondContact CB-NE2 3.49Å; C68-H84 PolarHBondContact SG-NE2 3.02Å; C68-H84 VanDerWaalsContact SG-NE2 3.36Å; C68-H89 PolarHBondContact SG-CD2 2.79Å; C68-H89 PolarHBondContact SG-NE2 3.42Å; C68-H89 VanDerWaalsContact SG-NE2 3.41Å
69Q68.4Low67.7Low189 Ų189102.1 Ų102.188%0.88352%0.515SS*.THydrogen-bonded Turntrans-62.5-25177.8-75.8-176.2-13.400113.2I67I67-Q69 PolarHBondContact O-N 3.07Å
70H62.8Low67.9Low132 Ų13296 Ų9661%0.61149%0.492SS*.THydrogen-bonded Turntrans-87.4-21.1-177.3-61.7-71.8000114.7C68 H89C68-H70 PolarHBondContact O-N 3.18Å; C68-H70 PolarHBondContact SG-N 3.37Å; H70-H89 WeakPolarHBondContact CB-CE1 3.18Å; H70-H89 WeakPolarHBondContact CB-ND1 3.37Å
71C66.3Low68.5Low57 Ų5790.3 Ų90.339%0.38546%0.462SS..THydrogen-bonded Turntrans-143.55.5-178.970.40000115.3C68 K73 H84 H89C68-C71 PolarHBondContact O-N 3.12Å; C71-K73 PolarHBondContact O-N 3.37Å; C71-K73 VanDerWaalsContact O-N 3.08Å; C71-K73 VanDerWaalsContact SG-CG 3.59Å; C71-H84 PolarHBondContact SG-CE1 3.02Å; C71-H84 PolarHBondContact SG-NE2 3.02Å; C71-H89 PolarHBondContact SG-NE2 2.78Å
72G65.6Low68.6Low47 Ų4796.4 Ų96.449%0.48549%0.486SS..  trans68.61.9179.200000115.3C68 Q74C68-G72 VanDerWaalsContact O-CA 3.23Å; C68-G72 WeakPolarHBondContact O-CA 3.05Å; C68-G72 PolarHBondContact O-N 2.89Å; G72-Q74 PolarHBondContact O-N 2.76Å
73K72Confident69.3Low113 Ų11392.2 Ų92.249%0.49147%0.471SS..  trans-67.8127.7-176.7-75.6-177.6-173.9177.10112I67 C68 C71I67-K73 WeakPolarHBondContact CA-O 3.48Å; C68-K73 PolarHBondContact N-O 3.23Å; C71-K73 PolarHBondContact O-N 3.37Å; C71-K73 VanDerWaalsContact O-N 3.08Å; C71-K73 VanDerWaalsContact SG-CG 3.59Å
74Q73.8Confident70.3Confident131 Ų13187.6 Ų87.661%0.61245%0.446SS*.EExtended strand (participates in β ladder)trans-84.7122.5175.5-74.8-178.424.400111.2P65 F66 I67 G72P65-Q74 HydrophobicContact CB-CB 3.97Å; P65-Q74 HydrophobicContact CB-CG 3.98Å; P65-Q74 HydrophobicContact CG-CG 4.26Å; F66-Q74 CarbonylContact O-C 3.55Å; F66-Q74 WeakPolarHBondContact O-CA 3.43Å; I67-Q74 HydrophobicContact CD1-CG 4.48Å; I67-Q74 HydrophobicContact CG1-CG 3.62Å; G72-Q74 PolarHBondContact O-N 2.76Å
75L74.9Confident71.3Confident45 Ų4583.8 Ų83.824%0.23643%0.43CS..EExtended strand (participates in β ladder)trans-118.7145.6179.5-68.5164000110.4F66 S77 M81 H84F66-L75 HydrophobicContact CB-CB 4.45Å; F66-L75 PolarHBondContact N-O 3.43Å; F66-L75 PolarHBondContact O-N 3.18Å; L75-S77 PolarHBondContact O-N 3.08Å; L75-M81 HydrophobicContact CB-CE 4.29Å; L75-M81 HydrophobicContact CD1-CB 4.34Å; L75-M81 HydrophobicContact CD1-CE 3.86Å; L75-M81 HydrophobicContact CD1-SD 4.05Å; L75-M81 HydrophobicContact CG-CE 4.43Å; L75-H84 HydrophobicContact CD1-CB 3.27Å; L75-H84 VanDerWaalsContact CD1-CG 3.48Å
76K66.9Low71.7Confident216 Ų21684.3 Ų84.394%0.93943%0.429SS*.SBendtrans-77.1-8.9-173-60.1178.9-178.6178.70113.3
77S72.9Confident71.8Confident53 Ų5382.1 Ų82.137%0.37143%0.426SS..  trans-151.5152.1-178.264.80000112.9F66 L75 T79 G80 M81F66-S77 VanDerWaalsContact CE2-C 3.44Å; L75-S77 PolarHBondContact O-N 3.08Å; S77-T79 VanDerWaalsContact C-N 3.34Å; S77-G80 PolarHBondContact O-N 3.46Å; S77-G80 PolarHBondContact OG-N 3.06Å; S77-M81 PolarHBondContact O-N 3.39Å
78S71Confident71.4Confident67 Ų6780.6 Ų80.647%0.46942%0.418SS..Hα-helixtrans-64.4-37.9174.854.10000111.9F66 M81 K82F66-S78 VanDerWaalsContact CD2-N 3.33Å; F66-S78 VanDerWaalsContact CE1-CB 3.48Å; S78-M81 WeakPolarHBondContact O-CB 3.42Å; S78-M81 PolarHBondContact O-N 2.9Å; S78-K82 PolarHBondContact O-N 3.02Å
79T75.3Confident71.1Confident84 Ų8482.6 Ų82.652%0.51543%0.428SS..Hα-helixtrans-62.1-44.5171.8-56.80000110.7S77 M81 K82 Y83S77-T79 VanDerWaalsContact C-N 3.34Å; T79-M81 VanDerWaalsContact C-N 3.29Å; T79-M81 PolarHBondContact O-N 3.17Å; T79-K82 PolarHBondContact O-N 3.44Å; T79-Y83 HydrophobicContact CG2-CD2 3.72Å; T79-Y83 HydrophobicContact CG2-CE2 3.42Å; T79-Y83 VanDerWaalsContact CG2-CE2 3.42Å; T79-Y83 WeakPolarHBondContact O-CD2 3.16Å; T79-Y83 PolarHBondContact O-N 3.37Å
80G78.1Confident70.9Confident21 Ų2176.2 Ų76.222%0.21640%0.404CS..Hα-helixtrans-59.3-40.2173.400000112.2S77 Y83 H84S77-G80 PolarHBondContact O-N 3.46Å; S77-G80 PolarHBondContact OG-N 3.06Å; G80-Y83 PolarHBondContact O-N 3Å; G80-H84 VanDerWaalsContact O-CB 3.26Å; G80-H84 WeakPolarHBondContact O-CB 3.44Å; G80-H84 PolarHBondContact O-N 3.09Å
81M78.1Confident70.7Confident19 Ų1977 Ų779%0.09441%0.412CS..Hα-helixtrans-61.2-47.8172.6-178.455.868.900112.5F66 C68 L75 S77 S78 T79 Y83 H84 I85F66-M81 HydrophobicContact CB-CB 3.96Å; F66-M81 HydrophobicContact CB-CE 3.57Å; F66-M81 HydrophobicContact CB-CG 4.35Å; F66-M81 HydrophobicContact CG-CB 4.47Å; F66-M81 WeakPolarHBondContact O-CE 3.3Å; C68-M81 HydrophobicContact CB-CE 3.92Å; C68-M81 HydrophobicContact CB-SD 3.77Å; L75-M81 HydrophobicContact CB-CE 4.29Å; L75-M81 HydrophobicContact CD1-CB 4.34Å; L75-M81 HydrophobicContact CD1-CE 3.86Å; L75-M81 HydrophobicContact CD1-SD 4.05Å; L75-M81 HydrophobicContact CG-CE 4.43Å; S77-M81 PolarHBondContact O-N 3.39Å; S78-M81 WeakPolarHBondContact O-CB 3.42Å; S78-M81 PolarHBondContact O-N 2.9Å; T79-M81 VanDerWaalsContact C-N 3.29Å; T79-M81 PolarHBondContact O-N 3.17Å; M81-Y83 VanDerWaalsContact C-N 3.34Å; M81-Y83 PolarHBondContact O-N 3.23Å; M81-H84 WeakPolarHBondContact O-CB 3.47Å; M81-H84 PolarHBondContact O-N 3.12Å; M81-I85 HydrophobicContact CG-CD1 3.83Å; M81-I85 HydrophobicContact CG-CG1 4.41Å; M81-I85 WeakPolarHBondContact O-CG1 3.25Å; M81-I85 PolarHBondContact O-N 3.09Å; M81-I85 HydrophobicContact SD-CD1 3.84Å; M81-I85 HydrophobicContact SD-CG1 3.94Å
82K74Confident70.2Confident146 Ų14675.1 Ų75.164%0.63540%0.398SS*.Hα-helixtrans-61-42.5178.3-169.8173.9-176.5174.20111.8S78 T79 M86S78-K82 PolarHBondContact O-N 3.02Å; T79-K82 PolarHBondContact O-N 3.44Å; K82-M86 HydrophobicContact CG-SD 4.13Å; K82-M86 VanDerWaalsContact O-CB 3.32Å; K82-M86 WeakPolarHBondContact O-CB 3.33Å; K82-M86 VanDerWaalsContact O-CG 3.27Å; K82-M86 WeakPolarHBondContact O-CG 3.34Å; K82-M86 PolarHBondContact O-N 3.45Å
83Y76.7Confident69.6Low138 Ų13874.8 Ų74.854%0.54139%0.388SS..Hα-helixtrans-66.4-39.2174.3-78-67.4000112.7T79 G80 M81 M86 A87T79-Y83 HydrophobicContact CG2-CD2 3.72Å; T79-Y83 HydrophobicContact CG2-CE2 3.42Å; T79-Y83 VanDerWaalsContact CG2-CE2 3.42Å; T79-Y83 WeakPolarHBondContact O-CD2 3.16Å; T79-Y83 PolarHBondContact O-N 3.37Å; G80-Y83 PolarHBondContact O-N 3Å; M81-Y83 VanDerWaalsContact C-N 3.34Å; M81-Y83 PolarHBondContact O-N 3.23Å; Y83-M86 CarbonylContact O-C 3.56Å; Y83-M86 PolarHBondContact O-N 3.46Å; Y83-A87 WeakPolarHBondContact O-CB 3.25Å; Y83-A87 PolarHBondContact O-N 3.38Å
84H77.6Confident68.6Low14 Ų1472.2 Ų72.27%0.06538%0.384CS..Hα-helixtrans-64.5-45.5175.6166.265.1000111.8C68 C71 L75 G80 M81 M86 A87 D88 H89C68-H84 VanDerWaalsContact CB-NE2 3.31Å; C68-H84 WeakPolarHBondContact CB-NE2 3.49Å; C68-H84 PolarHBondContact SG-NE2 3.02Å; C68-H84 VanDerWaalsContact SG-NE2 3.36Å; C71-H84 PolarHBondContact SG-CE1 3.02Å; C71-H84 PolarHBondContact SG-NE2 3.02Å; L75-H84 HydrophobicContact CD1-CB 3.27Å; L75-H84 VanDerWaalsContact CD1-CG 3.48Å; G80-H84 VanDerWaalsContact O-CB 3.26Å; G80-H84 WeakPolarHBondContact O-CB 3.44Å; G80-H84 PolarHBondContact O-N 3.09Å; M81-H84 WeakPolarHBondContact O-CB 3.47Å; M81-H84 PolarHBondContact O-N 3.12Å; H84-M86 VanDerWaalsContact C-N 3.33Å; H84-M86 PolarHBondContact O-N 2.96Å; H84-A87 PolarHBondContact O-N 3.13Å; H84-A87 VanDerWaalsContact O-N 3.13Å; H84-D88 IonicContact CE1-OD2 3.83Å; H84-D88 PolarHBondContact CE1-OD2 3.39Å; H84-D88 VanDerWaalsContact CE1-OD2 3.25Å; H84-D88 IonicContact CG-OD2 2.71Å; H84-D88 IonicContact ND1-OD2 3.95Å; H84-D88 PolarHBondContact ND1-OD2 2.88Å; H84-D88 WeakPolarHBondContact O-CB 3.49Å; H84-D88 PolarHBondContact O-N 3.19Å; H84-H89 AromaticContact CE1-NE2 3.69Å; H84-H89 AromaticContact NE2-CD2 3.68Å; H84-H89 AromaticContact NE2-NE2 3.45Å; H84-H89 PolarHBondContact NE2-NE2 3.12Å
85I74.4Confident67.5Low66 Ų6667.5 Ų67.534%0.33837%0.368SS..Hα-helixtrans-61-45.7173.6-66.5168.5000109.6M81 A87 H89 S90M81-I85 HydrophobicContact CG-CD1 3.83Å; M81-I85 HydrophobicContact CG-CG1 4.41Å; M81-I85 WeakPolarHBondContact O-CG1 3.25Å; M81-I85 PolarHBondContact O-N 3.09Å; M81-I85 HydrophobicContact SD-CD1 3.84Å; M81-I85 HydrophobicContact SD-CG1 3.94Å; I85-A87 PolarHBondContact O-N 3.36Å; I85-H89 HydrophobicContact CG2-CB 4.25Å; I85-H89 CarbonylContact O-C 3.51Å; I85-H89 VanDerWaalsContact O-CA 3.22Å; I85-H89 WeakPolarHBondContact O-CA 3.28Å; I85-H89 WeakPolarHBondContact O-CB 3.4Å; I85-H89 PolarHBondContact O-N 2.92Å; I85-S90 PolarHBondContact O-N 3.46Å
86M70.5Confident66.2Low61 Ų6172.1 Ų72.130%0.339%0.393SS..Hα-helixtrans-65.3-21.1176.5-75.8170.554.900114.4K82 Y83 H84 S90 R116K82-M86 HydrophobicContact CG-SD 4.13Å; K82-M86 VanDerWaalsContact O-CB 3.32Å; K82-M86 WeakPolarHBondContact O-CB 3.33Å; K82-M86 VanDerWaalsContact O-CG 3.27Å; K82-M86 WeakPolarHBondContact O-CG 3.34Å; K82-M86 PolarHBondContact O-N 3.45Å; Y83-M86 CarbonylContact O-C 3.56Å; Y83-M86 PolarHBondContact O-N 3.46Å; H84-M86 VanDerWaalsContact C-N 3.33Å; H84-M86 PolarHBondContact O-N 2.96Å; M86-S90 VanDerWaalsContact CA-OG 3.23Å; M86-S90 WeakPolarHBondContact CA-OG 3.26Å; M86-S90 WeakPolarHBondContact O-CB 3.23Å; M86-S90 PolarHBondContact O-OG 2.87Å; M86-R116 VanDerWaalsContact CE-NH2 3.25Å
87A65.8Low65.2Low34 Ų3466.4 Ų66.428%0.28137%0.372SS..Hα-helixtrans-102.1-37.1-17600000113.5Y83 H84 I85 L117Y83-A87 WeakPolarHBondContact O-CB 3.25Å; Y83-A87 PolarHBondContact O-N 3.38Å; H84-A87 PolarHBondContact O-N 3.13Å; H84-A87 VanDerWaalsContact O-N 3.13Å; I85-A87 PolarHBondContact O-N 3.36Å; A87-L117 HydrophobicContact CB-CD2 3.57Å; A87-L117 WeakPolarHBondContact O-CD1 3.47Å
88D61.4Low64.2Low58 Ų5868.1 Ų68.131%0.3138%0.381SS..Hα-helixtrans-107.8-20.7-174.5-72.6-50.5000112.7H84 K121H84-D88 IonicContact CE1-OD2 3.83Å; H84-D88 PolarHBondContact CE1-OD2 3.39Å; H84-D88 VanDerWaalsContact CE1-OD2 3.25Å; H84-D88 IonicContact CG-OD2 2.71Å; H84-D88 IonicContact ND1-OD2 3.95Å; H84-D88 PolarHBondContact ND1-OD2 2.88Å; H84-D88 WeakPolarHBondContact O-CB 3.49Å; H84-D88 PolarHBondContact O-N 3.19Å; D88-K121 IonicContact OD1-NZ 3.64Å; D88-K121 PolarHBondContact OD1-NZ 3.06Å
89H66.3Low62.9Low44 Ų4474.9 Ų74.920%0.20440%0.402CS..SBendtrans-131.213.3-175-56.9-63.3000113.7C68 H70 C71 H84 I85 N91C68-H89 PolarHBondContact SG-CD2 2.79Å; C68-H89 PolarHBondContact SG-NE2 3.42Å; C68-H89 VanDerWaalsContact SG-NE2 3.41Å; H70-H89 WeakPolarHBondContact CB-CE1 3.18Å; H70-H89 WeakPolarHBondContact CB-ND1 3.37Å; C71-H89 PolarHBondContact SG-NE2 2.78Å; H84-H89 AromaticContact CE1-NE2 3.69Å; H84-H89 AromaticContact NE2-CD2 3.68Å; H84-H89 AromaticContact NE2-NE2 3.45Å; H84-H89 PolarHBondContact NE2-NE2 3.12Å; I85-H89 HydrophobicContact CG2-CB 4.25Å; I85-H89 CarbonylContact O-C 3.51Å; I85-H89 VanDerWaalsContact O-CA 3.22Å; I85-H89 WeakPolarHBondContact O-CA 3.28Å; I85-H89 WeakPolarHBondContact O-CB 3.4Å; I85-H89 PolarHBondContact O-N 2.92Å; H89-N91 PolarHBondContact O-N 2.92Å
90S65.5Low61.6Low55 Ų5574.2 Ų74.239%0.38541%0.412SS..  trans-63.5106.4169.7-82.70000107.2I85 M86 L92I85-S90 PolarHBondContact O-N 3.46Å; M86-S90 VanDerWaalsContact CA-OG 3.23Å; M86-S90 WeakPolarHBondContact CA-OG 3.26Å; M86-S90 WeakPolarHBondContact O-CB 3.23Å; M86-S90 PolarHBondContact O-OG 2.87Å; S90-L92 PolarHBondContact O-N 3.36Å
91N57.9Low60.2Low147 Ų14777.5 Ų77.579%0.78642%0.424SS*.  trans-46.4105.6176.5-75.1-50.9000109.1H89H89-N91 PolarHBondContact O-N 2.92Å
92L55.8Low59.2Low18 Ų1881.6 Ų81.69%0.09445%0.446CS..PPolyproline II helixtrans-66.2143.3162.9-72.1157.8000106.1S90 S94 L110 I113 K121 Y137S90-L92 PolarHBondContact O-N 3.36Å; L92-S94 PolarHBondContact O-N 2.77Å; L92-S94 VanDerWaalsContact O-N 3.08Å; L92-L110 HydrophobicContact CD2-CD2 3.83Å; L92-I113 HydrophobicContact CD2-CD1 3.55Å; L92-K121 WeakPolarHBondContact CD1-O 3.47Å; L92-Y137 HydrophobicContact CD1-CE2 4.29Å; L92-Y137 WeakPolarHBondContact CD1-OH 3.35Å
93P53Low59Low41 Ų4180.6 Ų80.627%0.26645%0.448SS..PPolyproline II helixtrans-51.6125.117610.5-17.7000108.7D97P93-D97 HydrophobicContact CB-CB 4.37Å
94S50.6Low58.7Low58 Ų5882.6 Ų82.641%0.40645%0.454SS..PPolyproline II helixtrans-65158.2179.5-175.20000108.7L92 D96 D97L92-S94 PolarHBondContact O-N 2.77Å; L92-S94 VanDerWaalsContact O-N 3.08Å; S94-D96 PolarHBondContact O-N 3.17Å; S94-D97 PolarHBondContact N-OD2 3.42Å; S94-D97 PolarHBondContact O-N 3.44Å
95A51.2Low58.6Low33 Ų3383.9 Ų83.927%0.27347%0.468SS..G310 helixtrans-56.3-23.2175.900000112.1T98A95-T98 WeakPolarHBondContact O-CB 3.39Å; A95-T98 WeakPolarHBondContact O-CG2 3.25Å; A95-T98 PolarHBondContact O-OG1 2.9Å
96D47.3Very low58.6Low142 Ų14282.2 Ų82.276%0.75946%0.459SS*.G310 helixtrans-79.8-17178.5-70.5-38.7000114.8S94 T98S94-D96 PolarHBondContact O-N 3.17Å; D96-T98 PolarHBondContact O-N 3.35Å
97D46.4Very low59Low95 Ų9584 Ų8451%0.50847%0.465SS..G310 helixtrans-80.63.5173.3-67.3-42.9000112.6P93 S94P93-D97 HydrophobicContact CB-CB 4.37Å; S94-D97 PolarHBondContact N-OD2 3.42Å; S94-D97 PolarHBondContact O-N 3.44Å
98T51.1Low59.6Low90 Ų9085.4 Ų85.455%0.55247%0.468SS*.G310 helixtrans-87.9-3.4-173.465.20000114.2A95 D96 G100A95-T98 WeakPolarHBondContact O-CB 3.39Å; A95-T98 WeakPolarHBondContact O-CG2 3.25Å; A95-T98 PolarHBondContact O-OG1 2.9Å; D96-T98 PolarHBondContact O-N 3.35Å; T98-G100 VanDerWaalsContact C-N 3.3Å; T98-G100 PolarHBondContact O-N 2.92Å; T98-G100 VanDerWaalsContact O-N 3.12Å
99K43.2Very low60.5Low208 Ų20887.8 Ų87.890%0.90448%0.475SS*.SBendtrans-85.672.1170.1-73.7-174.7179.4-177.50110.2
100G48.1Very low61.1Low71 Ų7185.8 Ų85.873%0.73247%0.466SS*.SBendtrans133.80.6160.900000118.3T98T98-G100 VanDerWaalsContact C-N 3.3Å; T98-G100 PolarHBondContact O-N 2.92Å; T98-G100 VanDerWaalsContact O-N 3.12Å
101L49.7Very low61.9Low90 Ų9088.3 Ų88.347%0.47147%0.467SS..SBendtrans-93.3124.3173.6-67.8176.8000111D103 I106L101-D103 PolarHBondContact O-N 3.06Å; L101-I106 HydrophobicContact CB-CD1 4.18Å; L101-I106 HydrophobicContact CB-CG1 4.3Å
102D57.7Low62.9Low105 Ų10588.8 Ų88.856%0.56146%0.462SS*.  trans-41.5121.8177.1179.99.6000111.5R104 A105 I106D102-R104 PolarHBondContact O-N 3.42Å; D102-R104 WeakPolarHBondContact OD1-CB 3.43Å; D102-R104 PolarHBondContact OD1-N 3.48Å; D102-R104 WeakPolarHBondContact OD2-CB 3.5Å; D102-A105 PolarHBondContact O-N 3.47Å; D102-I106 PolarHBondContact O-N 3.28Å
103D69.4Low63.9Low125 Ų12590 Ų9067%0.66847%0.468SS*.Hα-helixtrans-47.9-27.9178.4-103.316.9000111.9L101 K107L101-D103 PolarHBondContact O-N 3.06Å; D103-K107 VanDerWaalsContact O-CB 3.25Å; D103-K107 WeakPolarHBondContact O-CB 3.28Å; D103-K107 PolarHBondContact O-N 3.4Å; D103-K107 VanDerWaalsContact O-N 3.14Å
104R70.3Confident65.3Low180 Ų18089.7 Ų89.768%0.67946%0.464SS*.Hα-helixtrans-68.6-45.8175.4-164.6175.5-176.3171.41.4113D102 K107 D108D102-R104 PolarHBondContact O-N 3.42Å; D102-R104 WeakPolarHBondContact OD1-CB 3.43Å; D102-R104 PolarHBondContact OD1-N 3.48Å; D102-R104 WeakPolarHBondContact OD2-CB 3.5Å; R104-K107 PolarHBondContact O-N 3.03Å; R104-D108 PolarHBondContact O-N 3.24Å
105A74.3Confident66.6Low41 Ų4195.2 Ų95.234%0.33948%0.481SS..Hα-helixtrans-67.3-38-179.200000112D102 D108 K109D102-A105 PolarHBondContact O-N 3.47Å; A105-D108 PolarHBondContact O-N 3.47Å; A105-K109 WeakPolarHBondContact O-CG 3.29Å; A105-K109 PolarHBondContact O-N 2.96Å
106I75Confident67.4Low31 Ų31101.2 Ų101.216%0.15950%0.497CS..Hα-helixtrans-65.2-45.3174.5-60.5174.8000109.9L101 D102 D108 K109 L110L101-I106 HydrophobicContact CB-CD1 4.18Å; L101-I106 HydrophobicContact CB-CG1 4.3Å; D102-I106 PolarHBondContact O-N 3.28Å; I106-D108 VanDerWaalsContact C-N 3.31Å; I106-D108 PolarHBondContact O-N 3.47Å; I106-K109 PolarHBondContact O-N 2.67Å; I106-L110 HydrophobicContact CG2-CD1 4.06Å; I106-L110 HydrophobicContact CG2-CG 4.43Å; I106-L110 WeakPolarHBondContact O-CG 3.48Å; I106-L110 PolarHBondContact O-N 3.36Å
107K79.1Confident68.5Low99 Ų9997.2 Ų97.243%0.4348%0.475SS..Hα-helixtrans-61.3-38.3177.4-172.1176.2-72.71670112.2D103 R104 L110 R111 I134D103-K107 VanDerWaalsContact O-CB 3.25Å; D103-K107 WeakPolarHBondContact O-CB 3.28Å; D103-K107 PolarHBondContact O-N 3.4Å; D103-K107 VanDerWaalsContact O-N 3.14Å; R104-K107 PolarHBondContact O-N 3.03Å; K107-L110 PolarHBondContact O-N 3.42Å; K107-R111 WeakPolarHBondContact O-CB 3.29Å; K107-R111 PolarHBondContact O-N 2.86Å; K107-I134 HydrophobicContact CG-CG2 4.25Å
108D79.6Confident69.7Low62 Ų6295 Ų9533%0.33247%0.474SS..Hα-helixtrans-69.9-39.6176.8-77.8-21.7000113R104 A105 I106 R111 K112R104-D108 PolarHBondContact O-N 3.24Å; A105-D108 PolarHBondContact O-N 3.47Å; I106-D108 VanDerWaalsContact C-N 3.31Å; I106-D108 PolarHBondContact O-N 3.47Å; D108-R111 PolarHBondContact O-N 3.18Å; D108-R111 IonicContact OD1-CZ 2.67Å; D108-R111 IonicContact OD1-NH1 3.8Å; D108-R111 PolarHBondContact OD1-NH1 2.93Å; D108-K112 WeakPolarHBondContact O-CG 3.21Å; D108-K112 PolarHBondContact O-N 3.04Å
109K78.4Confident71.2Confident108 Ų10895.9 Ų95.947%0.4747%0.471SS..Hα-helixtrans-60.8-48171.3-72.6175.1-176.41780110.9A105 I106 R111 K112 I113A105-K109 WeakPolarHBondContact O-CG 3.29Å; A105-K109 PolarHBondContact O-N 2.96Å; I106-K109 PolarHBondContact O-N 2.67Å; K109-R111 VanDerWaalsContact C-N 3.3Å; K109-R111 PolarHBondContact O-N 3.39Å; K109-K112 PolarHBondContact O-N 3.46Å; K109-I113 VanDerWaalsContact O-CG1 3.29Å; K109-I113 WeakPolarHBondContact O-CG1 3.46Å; K109-I113 PolarHBondContact O-N 2.82Å
110L80.4Confident73Confident3 Ų386 Ų862%0.01643%0.428CS..Hα-helixtrans-61.9-37.2176.5-68.5174000112L92 I106 K107 I113 L114 L120 I134 Y137 V138L92-L110 HydrophobicContact CD2-CD2 3.83Å; I106-L110 HydrophobicContact CG2-CD1 4.06Å; I106-L110 HydrophobicContact CG2-CG 4.43Å; I106-L110 WeakPolarHBondContact O-CG 3.48Å; I106-L110 PolarHBondContact O-N 3.36Å; K107-L110 PolarHBondContact O-N 3.42Å; L110-I113 PolarHBondContact O-N 3.29Å; L110-L114 VanDerWaalsContact O-CB 3.28Å; L110-L114 WeakPolarHBondContact O-CB 3.46Å; L110-L114 PolarHBondContact O-N 3.05Å; L110-L120 HydrophobicContact CB-CD1 4.39Å; L110-L120 HydrophobicContact CD2-CD1 4.33Å; L110-L120 HydrophobicContact CD2-CD2 4.03Å; L110-I134 HydrophobicContact CB-CG1 4.32Å; L110-I134 HydrophobicContact CB-CG2 3.92Å; L110-I134 HydrophobicContact CD1-CG2 3.86Å; L110-Y137 HydrophobicContact CD1-CD1 3.81Å; L110-Y137 HydrophobicContact CD1-CE1 4.15Å; L110-Y137 HydrophobicContact CD2-CD1 3.71Å; L110-Y137 HydrophobicContact CD2-CE1 3.55Å; L110-Y137 HydrophobicContact CG-CD1 4.43Å; L110-V138 HydrophobicContact CD1-CG2 3.96Å
111R80.6Confident74.5Confident108 Ų10886.4 Ų86.441%0.40841%0.409SS..Hα-helixtrans-64.6-42.3175.1-168.8-177.8-72.3135.8-9.3111.8K107 D108 K109 I113 L114 K115 I134K107-R111 WeakPolarHBondContact O-CB 3.29Å; K107-R111 PolarHBondContact O-N 2.86Å; D108-R111 PolarHBondContact O-N 3.18Å; D108-R111 IonicContact OD1-CZ 2.67Å; D108-R111 IonicContact OD1-NH1 3.8Å; D108-R111 PolarHBondContact OD1-NH1 2.93Å; K109-R111 VanDerWaalsContact C-N 3.3Å; K109-R111 PolarHBondContact O-N 3.39Å; R111-I113 VanDerWaalsContact C-N 3.34Å; R111-L114 PolarHBondContact O-N 3.29Å; R111-K115 WeakPolarHBondContact O-CB 3.44Å; R111-K115 VanDerWaalsContact O-CG 3.31Å; R111-K115 WeakPolarHBondContact O-CG 3.37Å; R111-K115 PolarHBondContact O-N 3.01Å; R111-I134 HydrophobicContact CB-CD1 3.67Å; R111-I134 HydrophobicContact CG-CD1 4.16Å
112K79.7Confident76.1Confident157 Ų15782.9 Ų82.968%0.68339%0.392SS*.Hα-helixtrans-62.6-42.5175.5-72.1174.3-176.1179.60111.3D108 K109 R116D108-K112 WeakPolarHBondContact O-CG 3.21Å; D108-K112 PolarHBondContact O-N 3.04Å; K109-K112 PolarHBondContact O-N 3.46Å; K112-R116 WeakPolarHBondContact O-CB 3.42Å; K112-R116 PolarHBondContact O-N 3.22Å; K112-R116 VanDerWaalsContact O-N 3.14Å
113I76.4Confident76.7Confident42 Ų4280.8 Ų80.822%0.21539%0.386CS..Hα-helixtrans-67.7-45.5178.4-63.3169.6000110.7L92 K109 L110 R111 K115 R116 L117 L120L92-I113 HydrophobicContact CD2-CD1 3.55Å; K109-I113 VanDerWaalsContact O-CG1 3.29Å; K109-I113 WeakPolarHBondContact O-CG1 3.46Å; K109-I113 PolarHBondContact O-N 2.82Å; L110-I113 PolarHBondContact O-N 3.29Å; R111-I113 VanDerWaalsContact C-N 3.34Å; I113-K115 VanDerWaalsContact C-N 3.35Å; I113-K115 PolarHBondContact O-N 3.17Å; I113-R116 PolarHBondContact O-N 3.1Å; I113-R116 VanDerWaalsContact O-N 3.09Å; I113-L117 HydrophobicContact CG2-CD1 3.59Å; I113-L117 HydrophobicContact CG2-CG 4.22Å; I113-L117 WeakPolarHBondContact O-CB 3.17Å; I113-L117 PolarHBondContact O-N 2.82Å; I113-L120 HydrophobicContact CB-CD2 3.94Å; I113-L120 HydrophobicContact CG2-CD2 3.63Å
114L82Confident76.7Confident35 Ų3578.1 Ų78.118%0.18337%0.368CS..Hα-helixtrans-62.1-40.5177.4-176.364.3000111.9L110 R111 R116 G118 L120 T132 I134L110-L114 VanDerWaalsContact O-CB 3.28Å; L110-L114 WeakPolarHBondContact O-CB 3.46Å; L110-L114 PolarHBondContact O-N 3.05Å; R111-L114 PolarHBondContact O-N 3.29Å; L114-R116 VanDerWaalsContact C-N 3.28Å; L114-R116 PolarHBondContact O-N 3.49Å; L114-G118 VanDerWaalsContact O-CA 3.26Å; L114-G118 WeakPolarHBondContact O-CA 3.18Å; L114-G118 PolarHBondContact O-N 3.05Å; L114-L120 HydrophobicContact CB-CD1 4.38Å; L114-L120 HydrophobicContact CB-CD2 4.36Å; L114-L120 HydrophobicContact CB-CG 4.26Å; L114-L120 HydrophobicContact CD1-CG 4.2Å; L114-T132 WeakPolarHBondContact CD2-O 3.43Å; L114-I134 HydrophobicContact CD2-CG1 3.84Å
115K78.6Confident76.4Confident174 Ų17479.2 Ų79.276%0.75738%0.381SS*.Hα-helixtrans-61.8-34173.6-78.1-179.3177.8-1730112.8R111 I113R111-K115 WeakPolarHBondContact O-CB 3.44Å; R111-K115 VanDerWaalsContact O-CG 3.31Å; R111-K115 WeakPolarHBondContact O-CG 3.37Å; R111-K115 PolarHBondContact O-N 3.01Å; I113-K115 VanDerWaalsContact C-N 3.35Å; I113-K115 PolarHBondContact O-N 3.17Å
116R69.1Low76Confident160 Ų16081.4 Ų81.460%0.60441%0.408SS*.Hα-helixtrans-86.8-36.1-176.4-163.4179.4-171.5176.46.3113.5M86 K112 I113 L114M86-R116 VanDerWaalsContact CE-NH2 3.25Å; K112-R116 WeakPolarHBondContact O-CB 3.42Å; K112-R116 PolarHBondContact O-N 3.22Å; K112-R116 VanDerWaalsContact O-N 3.14Å; I113-R116 PolarHBondContact O-N 3.1Å; I113-R116 VanDerWaalsContact O-N 3.09Å; L114-R116 VanDerWaalsContact C-N 3.28Å; L114-R116 PolarHBondContact O-N 3.49Å
117L69.2Low76Confident57 Ų5781.4 Ų81.430%0.29841%0.41SS..Hα-helixtrans-107.7-16.8-172.3-58.3-178000114.1A87 I113 K119A87-L117 HydrophobicContact CB-CD2 3.57Å; A87-L117 WeakPolarHBondContact O-CD1 3.47Å; I113-L117 HydrophobicContact CG2-CD1 3.59Å; I113-L117 HydrophobicContact CG2-CG 4.22Å; I113-L117 WeakPolarHBondContact O-CB 3.17Å; I113-L117 PolarHBondContact O-N 2.82Å; L117-K119 PolarHBondContact O-N 3.21Å
118G72.7Confident75.8Confident48 Ų4883.6 Ų83.650%0.49543%0.432SS..SBendtrans70.9-13.9-174.400000114.7L114L114-G118 VanDerWaalsContact O-CA 3.26Å; L114-G118 WeakPolarHBondContact O-CA 3.18Å; L114-G118 PolarHBondContact O-N 3.05Å
119K80.9Confident75.7Confident110 Ų11082 Ų8248%0.47843%0.428SS..SBendtrans-148.8141.6178.260.5-172.9176.1-175.10112.3L117 F131L117-K119 PolarHBondContact O-N 3.21Å; K119-F131 CarbonylContact C-O 3.57Å; K119-F131 WeakPolarHBondContact CA-O 3.34Å
120L81.7Confident75.9Confident1 Ų179.6 Ų79.61%0.00543%0.427CS..EExtended strand (participates in β ladder)trans-100.3124175.5-64169.1000109L110 I113 L114 A130 F131 I134 Y137L110-L120 HydrophobicContact CB-CD1 4.39Å; L110-L120 HydrophobicContact CD2-CD1 4.33Å; L110-L120 HydrophobicContact CD2-CD2 4.03Å; I113-L120 HydrophobicContact CB-CD2 3.94Å; I113-L120 HydrophobicContact CG2-CD2 3.63Å; L114-L120 HydrophobicContact CB-CD1 4.38Å; L114-L120 HydrophobicContact CB-CD2 4.36Å; L114-L120 HydrophobicContact CB-CG 4.26Å; L114-L120 HydrophobicContact CD1-CG 4.2Å; L120-A130 CarbonylContact O-C 3.04Å; L120-A130 VanDerWaalsContact O-CA 3.27Å; L120-A130 WeakPolarHBondContact O-CA 3.29Å; L120-F131 PolarHBondContact N-O 3.4Å; L120-F131 PolarHBondContact O-N 3.4Å; L120-I134 HydrophobicContact CD1-CG1 4.28Å; L120-Y137 HydrophobicContact CB-CD2 3.67Å; L120-Y137 HydrophobicContact CB-CE2 4.29Å; L120-Y137 HydrophobicContact CB-CG 3.9Å; L120-Y137 HydrophobicContact CD1-CD1 4.34Å; L120-Y137 HydrophobicContact CD1-CG 3.97Å
121K80.9Confident76Confident79 Ų7981.7 Ų81.734%0.34344%0.437SS..EExtended strand (participates in β ladder)trans-102.8146.6178.8-65.9176.7-179.5171.40110.4D88 L92 A129 A130 Y137D88-K121 IonicContact OD1-NZ 3.64Å; D88-K121 PolarHBondContact OD1-NZ 3.06Å; L92-K121 WeakPolarHBondContact CD1-O 3.47Å; K121-A129 WeakPolarHBondContact CA-O 3.28Å; K121-A130 HydrophobicContact CG-CB 4.31Å; K121-Y137 VanDerWaalsContact O-CE2 3.3Å; K121-Y137 WeakPolarHBondContact O-CE2 3.35Å
122C81.3Confident76.1Confident15 Ų1582.1 Ų82.110%0.10145%0.451CS..PPolyproline II helixtrans-68.4142173.7-166.80000111.7C127 A129 H140C122-C127 HydrophobicContact CB-CB 3.9Å; C122-C127 VanDerWaalsContact CB-SG 3.56Å; C122-A129 PolarHBondContact N-O 3.19Å; C122-A129 VanDerWaalsContact N-O 3.09Å; C122-H140 WeakPolarHBondContact CB-NE2 3.45Å; C122-H140 PolarHBondContact SG-NE2 2.88Å; C122-H140 VanDerWaalsContact SG-NE2 3.36Å
123S71.6Confident76.2Confident62 Ų6277.4 Ų77.443%0.43444%0.438SS..  trans-95.2-1.1177.4-164.20000114
124K68.3Low76.5Confident68 Ų6876.5 Ų76.530%0.29643%0.434SS..SBendtrans-79.3136.6179.8-70.2-165.4173.5-1650111.1G126 C127 M141 C144K124-G126 PolarHBondContact O-N 3.32Å; K124-C127 PolarHBondContact O-N 2.81Å; K124-C127 VanDerWaalsContact O-N 3.11Å; K124-M141 HydrophobicContact CD-CE 4.02Å; K124-M141 HydrophobicContact CG-CE 3.97Å; K124-C144 HydrophobicContact CD-CB 4.36Å; K124-C144 WeakPolarHBondContact CD-O 3.44Å; K124-C144 WeakPolarHBondContact CE-O 3.47Å; K124-C144 PolarHBondContact NZ-O 3.12Å
125E64.3Low76.3Confident203 Ų20381.8 Ų81.895%0.94946%0.459SS*.THydrogen-bonded Turntrans-56.7127.1176.1-63.9-163.9154.900110.3
126G65.9Low76.4Confident88 Ų8874.7 Ų74.791%0.90744%0.435SS*.THydrogen-bonded Turntrans89.9-5.8-177.500000116.2K124K124-G126 PolarHBondContact O-N 3.32Å
127C75.8Confident77Confident31 Ų3167.5 Ų67.521%0.20941%0.408CS..  trans-102.7120177.4-172.50000113.1C122 K124 H140 C144C122-C127 HydrophobicContact CB-CB 3.9Å; C122-C127 VanDerWaalsContact CB-SG 3.56Å; K124-C127 PolarHBondContact O-N 2.81Å; K124-C127 VanDerWaalsContact O-N 3.11Å; C127-H140 PolarHBondContact SG-CE1 3.47Å; C127-H140 PolarHBondContact SG-NE2 3.06Å; C127-C144 VanDerWaalsContact SG-SG 3.69Å
128T74.8Confident77.6Confident144 Ų14467.3 Ų67.388%0.88341%0.409SS*.  trans-101.28.9177.957.50000113.9
129A77.4Confident77.8Confident30 Ų3070.9 Ų70.925%0.24841%0.408CS..  trans-67.6137.6-17500000112.6K121 C122 F131K121-A129 WeakPolarHBondContact CA-O 3.28Å; C122-A129 PolarHBondContact N-O 3.19Å; C122-A129 VanDerWaalsContact N-O 3.09Å; A129-F131 HydrophobicContact CB-CE2 3.56Å; A129-F131 HydrophobicContact CB-CZ 3.67Å
130A82.4Confident77.7Confident56 Ų5667.2 Ų67.246%0.46339%0.393SS..EExtended strand (participates in β ladder)trans-128.7137.6177.700000111.3L120 K121L120-A130 CarbonylContact O-C 3.04Å; L120-A130 VanDerWaalsContact O-CA 3.27Å; L120-A130 WeakPolarHBondContact O-CA 3.29Å; K121-A130 HydrophobicContact CG-CB 4.31Å
131F81.9Confident77.6Confident48 Ų4868.8 Ų68.821%0.21140%0.401CS..EExtended strand (participates in β ladder)trans-127.9135.9-171.8-58.1-87000111.3K119 L120 A129 S133 Y137 H140K119-F131 CarbonylContact C-O 3.57Å; K119-F131 WeakPolarHBondContact CA-O 3.34Å; L120-F131 PolarHBondContact N-O 3.4Å; L120-F131 PolarHBondContact O-N 3.4Å; A129-F131 HydrophobicContact CB-CE2 3.56Å; A129-F131 HydrophobicContact CB-CZ 3.67Å; F131-S133 VanDerWaalsContact C-N 3.34Å; F131-Y137 AromaticContact CD2-CD2 3.92Å; F131-Y137 HydrophobicContact CD2-CD2 3.92Å; F131-H140 HydrophobicContact CD2-CB 4.4Å; F131-H140 HydrophobicContact CE1-CB 3.82Å; F131-H140 HydrophobicContact CE2-CB 3.55Å; F131-H140 AromaticContact CE2-CD2 3.38Å; F131-H140 WeakPolarHBondContact CE2-CD2 3.48Å; F131-H140 AromaticContact CE2-CG 3.31Å; F131-H140 AromaticContact CE2-ND1 3.89Å; F131-H140 AromaticContact CE2-NE2 3.98Å; F131-H140 HydrophobicContact CZ-CB 3.22Å; F131-H140 AromaticContact CZ-CD2 3.77Å; F131-H140 AromaticContact CZ-CG 3.17Å; F131-H140 AromaticContact CZ-ND1 3.46Å; F131-H140 WeakPolarHBondContact CZ-ND1 3.3Å
132T83.3Confident77.2Confident116 Ų11671.4 Ų71.471%0.71241%0.412SS*.SBendtrans-91-0.5172.952.90000112.7L114L114-T132 WeakPolarHBondContact CD2-O 3.43Å
133S81.6Confident76.7Confident58 Ų5873 Ų7341%0.40642%0.417SS..SBendtrans-127.3135.6179.4174.70000110.9F131 M135 G136 Y137F131-S133 VanDerWaalsContact C-N 3.34Å; S133-M135 VanDerWaalsContact C-N 3.25Å; S133-M135 PolarHBondContact O-N 3.16Å; S133-M135 PolarHBondContact OG-N 3.26Å; S133-G136 PolarHBondContact O-N 3.13Å; S133-Y137 PolarHBondContact O-N 3.08Å
134I83.1Confident76.8Confident24 Ų2470.8 Ų70.812%0.12340%0.402CS..Hα-helixtrans-58.8-41.9173.5-56.5173.3000110K107 L110 R111 L114 L120 G136 Y137 V138K107-I134 HydrophobicContact CG-CG2 4.25Å; L110-I134 HydrophobicContact CB-CG1 4.32Å; L110-I134 HydrophobicContact CB-CG2 3.92Å; L110-I134 HydrophobicContact CD1-CG2 3.86Å; R111-I134 HydrophobicContact CB-CD1 3.67Å; R111-I134 HydrophobicContact CG-CD1 4.16Å; L114-I134 HydrophobicContact CD2-CG1 3.84Å; L120-I134 HydrophobicContact CD1-CG1 4.28Å; I134-G136 VanDerWaalsContact C-N 3.33Å; I134-G136 PolarHBondContact O-N 2.94Å; I134-Y137 PolarHBondContact O-N 3Å; I134-V138 HydrophobicContact CG2-CG2 4.24Å; I134-V138 VanDerWaalsContact O-CG2 3.29Å; I134-V138 WeakPolarHBondContact O-CG2 3.26Å; I134-V138 PolarHBondContact O-N 3.16Å
135M78.7Confident76.6Confident146 Ų14670.9 Ų70.972%0.71942%0.422SS*.Hα-helixtrans-63.3-42.1-179.6-153.890.377.800111.2S133 V138 Y139S133-M135 VanDerWaalsContact C-N 3.25Å; S133-M135 PolarHBondContact O-N 3.16Å; S133-M135 PolarHBondContact OG-N 3.26Å; M135-V138 PolarHBondContact O-N 2.82Å; M135-Y139 WeakPolarHBondContact O-CB 3.34Å; M135-Y139 PolarHBondContact O-N 2.96Å
136G79.3Confident76.6Confident24 Ų2466 Ų6625%0.24740%0.398CS..Hα-helixtrans-64.4-41.9176.700000112.2S133 I134 H140S133-G136 PolarHBondContact O-N 3.13Å; I134-G136 VanDerWaalsContact C-N 3.33Å; I134-G136 PolarHBondContact O-N 2.94Å; G136-H140 VanDerWaalsContact O-CB 3.28Å; G136-H140 WeakPolarHBondContact O-CB 3.31Å; G136-H140 PolarHBondContact O-N 2.96Å
137Y82.1Confident76.1Confident9 Ų968.4 Ų68.44%0.03539%0.385CS..Hα-helixtrans-63.9-45.7175.1-179.6-99.1000112.5L92 L110 L120 K121 F131 S133 I134 H140 M141L92-Y137 HydrophobicContact CD1-CE2 4.29Å; L92-Y137 WeakPolarHBondContact CD1-OH 3.35Å; L110-Y137 HydrophobicContact CD1-CD1 3.81Å; L110-Y137 HydrophobicContact CD1-CE1 4.15Å; L110-Y137 HydrophobicContact CD2-CD1 3.71Å; L110-Y137 HydrophobicContact CD2-CE1 3.55Å; L110-Y137 HydrophobicContact CG-CD1 4.43Å; L120-Y137 HydrophobicContact CB-CD2 3.67Å; L120-Y137 HydrophobicContact CB-CE2 4.29Å; L120-Y137 HydrophobicContact CB-CG 3.9Å; L120-Y137 HydrophobicContact CD1-CD1 4.34Å; L120-Y137 HydrophobicContact CD1-CG 3.97Å; K121-Y137 VanDerWaalsContact O-CE2 3.3Å; K121-Y137 WeakPolarHBondContact O-CE2 3.35Å; F131-Y137 AromaticContact CD2-CD2 3.92Å; F131-Y137 HydrophobicContact CD2-CD2 3.92Å; S133-Y137 PolarHBondContact O-N 3.08Å; I134-Y137 PolarHBondContact O-N 3Å; Y137-H140 PolarHBondContact O-N 3.2Å; Y137-M141 HydrophobicContact CD1-CG 4.07Å; Y137-M141 HydrophobicContact CD2-CG 4.46Å; Y137-M141 HydrophobicContact CE1-CG 3.62Å; Y137-M141 HydrophobicContact CE1-SD 4.15Å; Y137-M141 HydrophobicContact CE2-CG 4.05Å; Y137-M141 HydrophobicContact CE2-SD 4.25Å; Y137-M141 HydrophobicContact CG-CG 4.47Å; Y137-M141 WeakPolarHBondContact O-CB 3.5Å; Y137-M141 VanDerWaalsContact O-CG 3.24Å; Y137-M141 WeakPolarHBondContact O-CG 3.42Å; Y137-M141 PolarHBondContact O-N 3.38Å; Y137-M141 PolarHBondContact OH-SD 3.42Å
138V80.8Confident75.1Confident54 Ų5474.9 Ų74.933%0.32741%0.412SS..Hα-helixtrans-63.9-43178.1171.30000111.1L110 I134 M135 M141 K142L110-V138 HydrophobicContact CD1-CG2 3.96Å; I134-V138 HydrophobicContact CG2-CG2 4.24Å; I134-V138 VanDerWaalsContact O-CG2 3.29Å; I134-V138 WeakPolarHBondContact O-CG2 3.26Å; I134-V138 PolarHBondContact O-N 3.16Å; M135-V138 PolarHBondContact O-N 2.82Å; V138-M141 PolarHBondContact O-N 2.82Å; V138-K142 WeakPolarHBondContact O-CG 3.29Å; V138-K142 PolarHBondContact O-N 2.97Å; V138-K142 VanDerWaalsContact O-N 3.11Å
139Y77Confident74Confident122 Ų12270.2 Ų70.248%0.47839%0.386SS..Hα-helixtrans-62.2-44.9175.6177.3-100.3000111.7M135 M141 K142 K143M135-Y139 WeakPolarHBondContact O-CB 3.34Å; M135-Y139 PolarHBondContact O-N 2.96Å; Y139-M141 VanDerWaalsContact C-N 3.34Å; Y139-M141 PolarHBondContact O-N 3.21Å; Y139-K142 PolarHBondContact O-N 3.13Å; Y139-K143 HydrophobicContact CE1-CD 4.11Å; Y139-K143 HydrophobicContact CE2-CD 4.1Å; Y139-K143 PolarHBondContact O-N 3.46Å; Y139-K143 WeakPolarHBondContact OH-CE 3.27Å; Y139-K143 PolarHBondContact OH-NZ 3.03Å
140H80.3Confident73.2Confident33 Ų3372.9 Ų72.915%0.15339%0.393CS..Hα-helixtrans-59.7-44.8174.1171.975.9000111.4C122 C127 F131 G136 Y137 K142 K143 C144C122-H140 WeakPolarHBondContact CB-NE2 3.45Å; C122-H140 PolarHBondContact SG-NE2 2.88Å; C122-H140 VanDerWaalsContact SG-NE2 3.36Å; C127-H140 PolarHBondContact SG-CE1 3.47Å; C127-H140 PolarHBondContact SG-NE2 3.06Å; F131-H140 HydrophobicContact CD2-CB 4.4Å; F131-H140 HydrophobicContact CE1-CB 3.82Å; F131-H140 HydrophobicContact CE2-CB 3.55Å; F131-H140 AromaticContact CE2-CD2 3.38Å; F131-H140 WeakPolarHBondContact CE2-CD2 3.48Å; F131-H140 AromaticContact CE2-CG 3.31Å; F131-H140 AromaticContact CE2-ND1 3.89Å; F131-H140 AromaticContact CE2-NE2 3.98Å; F131-H140 HydrophobicContact CZ-CB 3.22Å; F131-H140 AromaticContact CZ-CD2 3.77Å; F131-H140 AromaticContact CZ-CG 3.17Å; F131-H140 AromaticContact CZ-ND1 3.46Å; F131-H140 WeakPolarHBondContact CZ-ND1 3.3Å; G136-H140 VanDerWaalsContact O-CB 3.28Å; G136-H140 WeakPolarHBondContact O-CB 3.31Å; G136-H140 PolarHBondContact O-N 2.96Å; Y137-H140 PolarHBondContact O-N 3.2Å; H140-K142 VanDerWaalsContact C-N 3.27Å; H140-K142 PolarHBondContact O-N 2.74Å; H140-K143 CarbonylContact O-C 3.52Å; H140-K143 PolarHBondContact O-N 2.72Å; H140-C144 PolarHBondContact NE2-SG 2.81Å; H140-C144 VanDerWaalsContact NE2-SG 3.42Å; H140-C144 WeakPolarHBondContact O-CA 3.33Å; H140-C144 WeakPolarHBondContact O-CB 3.49Å; H140-C144 PolarHBondContact O-N 3.32Å
141M78.1Confident72Confident35 Ų3572.9 Ų72.917%0.17239%0.385CS..Hα-helixtrans-62.7-32.7-179.4-74.4-87.942.300113.6K124 Y137 V138 Y139 K143 C144K124-M141 HydrophobicContact CD-CE 4.02Å; K124-M141 HydrophobicContact CG-CE 3.97Å; Y137-M141 HydrophobicContact CD1-CG 4.07Å; Y137-M141 HydrophobicContact CD2-CG 4.46Å; Y137-M141 HydrophobicContact CE1-CG 3.62Å; Y137-M141 HydrophobicContact CE1-SD 4.15Å; Y137-M141 HydrophobicContact CE2-CG 4.05Å; Y137-M141 HydrophobicContact CE2-SD 4.25Å; Y137-M141 HydrophobicContact CG-CG 4.47Å; Y137-M141 WeakPolarHBondContact O-CB 3.5Å; Y137-M141 VanDerWaalsContact O-CG 3.24Å; Y137-M141 WeakPolarHBondContact O-CG 3.42Å; Y137-M141 PolarHBondContact O-N 3.38Å; Y137-M141 PolarHBondContact OH-SD 3.42Å; V138-M141 PolarHBondContact O-N 2.82Å; Y139-M141 VanDerWaalsContact C-N 3.34Å; Y139-M141 PolarHBondContact O-N 3.21Å; M141-K143 VanDerWaalsContact C-N 3.27Å; M141-K143 PolarHBondContact O-N 2.99Å; M141-C144 HydrophobicContact CE-CB 4.27Å
142K74.2Confident70.8Confident133 Ų13377.1 Ų77.158%0.57841%0.405SS*.Hα-helixtrans-68.8-22.8175.5-73.3-178.5179.7-172.90113.9V138 Y139 H140 K146V138-K142 WeakPolarHBondContact O-CG 3.29Å; V138-K142 PolarHBondContact O-N 2.97Å; V138-K142 VanDerWaalsContact O-N 3.11Å; Y139-K142 PolarHBondContact O-N 3.13Å; H140-K142 VanDerWaalsContact C-N 3.27Å; H140-K142 PolarHBondContact O-N 2.74Å; K142-K146 WeakPolarHBondContact O-CD 3.38Å; K142-K146 WeakPolarHBondContact O-CE 3.46Å; K142-K146 PolarHBondContact O-NZ 3.21Å
143K70.2Confident69.7Low49 Ų4978.9 Ų78.921%0.21340%0.403CS..Hα-helixtrans-113-19.3-176.9-64.4-168.7175-164.60113.9Y139 H140 M141 G145 K146 L151 K166Y139-K143 HydrophobicContact CE1-CD 4.11Å; Y139-K143 HydrophobicContact CE2-CD 4.1Å; Y139-K143 PolarHBondContact O-N 3.46Å; Y139-K143 WeakPolarHBondContact OH-CE 3.27Å; Y139-K143 PolarHBondContact OH-NZ 3.03Å; H140-K143 CarbonylContact O-C 3.52Å; H140-K143 PolarHBondContact O-N 2.72Å; M141-K143 VanDerWaalsContact C-N 3.27Å; M141-K143 PolarHBondContact O-N 2.99Å; K143-G145 PolarHBondContact O-N 3.36Å; K143-K146 PolarHBondContact O-N 3.26Å; K143-L151 HydrophobicContact CB-CD1 4.01Å; K143-L151 HydrophobicContact CD-CD1 4.19Å; K143-L151 HydrophobicContact CG-CD1 4.07Å; K143-K166 PolarHBondContact NZ-O 3.07Å; K143-K166 VanDerWaalsContact NZ-O 3.12Å
144C73.2Confident68.9Low16 Ų1680.3 Ų80.311%0.10841%0.406CS..THydrogen-bonded Turntrans-70.4125.3-177.8-174.40000110.1K124 C127 H140 M141K124-C144 HydrophobicContact CD-CB 4.36Å; K124-C144 WeakPolarHBondContact CD-O 3.44Å; K124-C144 WeakPolarHBondContact CE-O 3.47Å; K124-C144 PolarHBondContact NZ-O 3.12Å; C127-C144 VanDerWaalsContact SG-SG 3.69Å; H140-C144 PolarHBondContact NE2-SG 2.81Å; H140-C144 VanDerWaalsContact NE2-SG 3.42Å; H140-C144 WeakPolarHBondContact O-CA 3.33Å; H140-C144 WeakPolarHBondContact O-CB 3.49Å; H140-C144 PolarHBondContact O-N 3.32Å; M141-C144 HydrophobicContact CE-CB 4.27Å
145G64.8Low68.4Low70 Ų7081 Ų8172%0.72241%0.41SS*.THydrogen-bonded Turntrans76.119.7179.700000115.2K143K143-G145 PolarHBondContact O-N 3.36Å
146K65.1Low68.3Low100 Ų10077.6 Ų77.644%0.43539%0.394SS..  trans-99.8136.7166.9-67.8-175.7177.8175.30108.9K142 K143 E150 L154K142-K146 WeakPolarHBondContact O-CD 3.38Å; K142-K146 WeakPolarHBondContact O-CE 3.46Å; K142-K146 PolarHBondContact O-NZ 3.21Å; K143-K146 PolarHBondContact O-N 3.26Å; K146-E150 HydrophobicContact CB-CB 4.31Å; K146-L154 HydrophobicContact CD-CD1 4.14Å
147E55.2Low68.4Low138 Ų13881 Ų8165%0.64541%0.407SS*.  trans-65.3158.5176.5-147.2-141.1152.700110.8S149 E150 L151E147-S149 PolarHBondContact O-N 2.87Å; E147-S149 PolarHBondContact OE2-OG 2.8Å; E147-E150 PolarHBondContact O-N 3.38Å; E147-L151 PolarHBondContact O-N 3.2Å
148E53.6Low68.4Low167 Ų16780.8 Ų80.878%0.7841%0.406SS*.Hα-helixtrans-59-32.8-177.2-166.9151.5-149.200111.9L151 E152E148-L151 WeakPolarHBondContact O-CB 3.25Å; E148-L151 PolarHBondContact O-N 3.18Å; E148-E152 PolarHBondContact O-N 3.43Å
149S52Low68.5Low46 Ų4684 Ų8432%0.32243%0.431SS..Hα-helixtrans-62.9-39.9174.168.40000113.9E147 K153E147-S149 PolarHBondContact O-N 2.87Å; E147-S149 PolarHBondContact OE2-OG 2.8Å; S149-K153 WeakPolarHBondContact O-CG 3.37Å; S149-K153 PolarHBondContact O-N 3.07Å
150E61.1Low68.4Low87 Ų8784.7 Ų84.741%0.40744%0.438SS..Hα-helixtrans-79.3-24.2176.9-69.4-65.7120.300111.9K146 E147 K153 L154K146-E150 HydrophobicContact CB-CB 4.31Å; E147-E150 PolarHBondContact O-N 3.38Å; E150-K153 IonicContact OE1-NZ 3.62Å; E150-K153 PolarHBondContact OE1-NZ 2.95Å; E150-L154 WeakPolarHBondContact O-CG 3.36Å
151L56.8Low68.4Low56 Ų5685.7 Ų85.729%0.29345%0.448SS..Hα-helixtrans-73.8-33.9172.9-149.391.8000111.8K143 E147 E148 L154K143-L151 HydrophobicContact CB-CD1 4.01Å; K143-L151 HydrophobicContact CD-CD1 4.19Å; K143-L151 HydrophobicContact CG-CD1 4.07Å; E147-L151 PolarHBondContact O-N 3.2Å; E148-L151 WeakPolarHBondContact O-CB 3.25Å; E148-L151 PolarHBondContact O-N 3.18Å; L151-L154 PolarHBondContact O-N 3.24Å
152E57.2Low68.3Low136 Ų13686.2 Ų86.264%0.63646%0.463SS*.Hα-helixtrans-69.9-38.3176.4-163.9166.6-152.700111.8E148 L154 L155E148-E152 PolarHBondContact O-N 3.43Å; E152-L154 PolarHBondContact O-N 3.29Å; E152-L155 HydrophobicContact CG-CD1 3.97Å; E152-L155 VanDerWaalsContact O-CB 3.26Å; E152-L155 WeakPolarHBondContact O-CB 3.42Å; E152-L155 VanDerWaalsContact O-CG 3.29Å; E152-L155 WeakPolarHBondContact O-CG 3.25Å; E152-L155 PolarHBondContact O-N 2.8Å
153K59.4Low68.6Low153 Ų15385.2 Ų85.267%0.66546%0.458SS*.THydrogen-bonded Turntrans-64.3-19.2172.2-68.9175.1-169.7169.90114.5S149 E150 L155S149-K153 WeakPolarHBondContact O-CG 3.37Å; S149-K153 PolarHBondContact O-N 3.07Å; E150-K153 IonicContact OE1-NZ 3.62Å; E150-K153 PolarHBondContact OE1-NZ 2.95Å; K153-L155 VanDerWaalsContact C-N 3.33Å
154L64.7Low69Low88 Ų8885.5 Ų85.546%0.46147%0.47SS..THydrogen-bonded Turntrans-90.20.5176-68.5171.2000112.9K146 E150 L151 E152K146-L154 HydrophobicContact CD-CD1 4.14Å; E150-L154 WeakPolarHBondContact O-CG 3.36Å; L151-L154 PolarHBondContact O-N 3.24Å; E152-L154 PolarHBondContact O-N 3.29Å
155L72.5Confident69.4Low40 Ų4087 Ų8721%0.20947%0.474CS..PPolyproline II helixtrans-71.4133.1171.4-61.1175.9000109.3E152 K153 A164 Y165 K166E152-L155 HydrophobicContact CG-CD1 3.97Å; E152-L155 VanDerWaalsContact O-CB 3.26Å; E152-L155 WeakPolarHBondContact O-CB 3.42Å; E152-L155 VanDerWaalsContact O-CG 3.29Å; E152-L155 WeakPolarHBondContact O-CG 3.25Å; E152-L155 PolarHBondContact O-N 2.8Å; K153-L155 VanDerWaalsContact C-N 3.33Å; L155-A164 HydrophobicContact CB-CB 4.06Å; L155-A164 HydrophobicContact CD1-CB 3.93Å; L155-Y165 CarbonylContact C-O 3.59Å; L155-Y165 WeakPolarHBondContact CA-O 3.45Å; L155-K166 HydrophobicContact CD2-CB 4.23Å; L155-K166 HydrophobicContact CD2-CG 3.52Å
156L76Confident69.8Low74 Ų7490.9 Ų90.939%0.38747%0.47SS..EExtended strand (participates in β ladder)trans-95118.6174-60172.9000107.8Y165 K168 L171L156-Y165 PolarHBondContact N-O 3.04Å; L156-Y165 PolarHBondContact O-N 3.06Å; L156-K168 HydrophobicContact CD1-CB 3.81Å; L156-K168 HydrophobicContact CD1-CG 4.37Å; L156-L171 HydrophobicContact CB-CD2 3.73Å
157N82.4Confident70.2Confident96 Ų9688.6 Ų88.651%0.51347%0.467SS..EExtended strand (participates in β ladder)trans-84.8140.5178-62.277.8000110.6S159 G162 K163N157-S159 PolarHBondContact O-N 3.35Å; N157-G162 PolarHBondContact ND2-O 3.25Å; N157-G162 VanDerWaalsContact ND2-O 3.09Å; N157-K163 CarbonylContact C-O 3.46Å; N157-K163 WeakPolarHBondContact CA-O 3.44Å
158C82.9Confident71.3Confident3 Ų388.9 Ų88.92%0.0247%0.466CS..PPolyproline II helixtrans-71.8123.8169.7-179.90000110.5H160 C161 G162 K163 Y165 L171 H174 H179C158-H160 PolarHBondContact O-N 3.02Å; C158-H160 PolarHBondContact SG-N 2.72Å; C158-C161 PolarHBondContact O-N 3.44Å; C158-C161 VanDerWaalsContact SG-SG 3.66Å; C158-G162 VanDerWaalsContact O-CA 3.25Å; C158-G162 WeakPolarHBondContact O-CA 3.44Å; C158-G162 PolarHBondContact O-N 3.48Å; C158-K163 PolarHBondContact N-O 3.47Å; C158-Y165 HydrophobicContact CB-CE2 4.19Å; C158-L171 HydrophobicContact CB-CD1 3.65Å; C158-H174 VanDerWaalsContact SG-CD2 3.59Å; C158-H174 PolarHBondContact SG-NE2 3.39Å; C158-H179 VanDerWaalsContact SG-CD2 3.55Å
159S81.2Confident72.5Confident121 Ų12184 Ų8485%0.84646%0.455SS*.THydrogen-bonded Turntrans-63.6-19.9178.7-48.30000113.9N157N157-S159 PolarHBondContact O-N 3.35Å
160H75.6Confident73.8Confident137 Ų13783 Ų8363%0.63445%0.451SS*.THydrogen-bonded Turntrans-94.6-24.4-177.5-63.7-68.9000114.1C158 H179C158-H160 PolarHBondContact O-N 3.02Å; C158-H160 PolarHBondContact SG-N 2.72Å; H160-H179 VanDerWaalsContact CB-CE1 3.42Å; H160-H179 WeakPolarHBondContact CB-CE1 3.32Å; H160-H179 AromaticContact CD2-CG 4Å
161C80.6Confident74.8Confident54 Ų5480 Ų8037%0.36544%0.438SS..THydrogen-bonded Turntrans-141.74.5-176.669.40000114.9C158 K163 H174 H179C158-C161 PolarHBondContact O-N 3.44Å; C158-C161 VanDerWaalsContact SG-SG 3.66Å; C161-K163 PolarHBondContact O-N 3.49Å; C161-H174 VanDerWaalsContact SG-CE1 3.55Å; C161-H174 PolarHBondContact SG-NE2 3.34Å; C161-H179 PolarHBondContact SG-NE2 3.28Å
162G76.5Confident76Confident46 Ų4682.4 Ų82.447%0.47445%0.448SS..  trans71.3-7176.700000115.8N157 C158 A164N157-G162 PolarHBondContact ND2-O 3.25Å; N157-G162 VanDerWaalsContact ND2-O 3.09Å; C158-G162 VanDerWaalsContact O-CA 3.25Å; C158-G162 WeakPolarHBondContact O-CA 3.44Å; C158-G162 PolarHBondContact O-N 3.48Å; G162-A164 PolarHBondContact O-N 3.41Å
163K79.4Confident77.2Confident112 Ų11284.1 Ų84.149%0.48745%0.45SS..  trans-58130.4-177.8-71.2178.3-173.3174.40111.1N157 C158 C161 Y165N157-K163 CarbonylContact C-O 3.46Å; N157-K163 WeakPolarHBondContact CA-O 3.44Å; C158-K163 PolarHBondContact N-O 3.47Å; C161-K163 PolarHBondContact O-N 3.49Å; K163-Y165 HydrophobicContact CB-CE2 3.55Å; K163-Y165 WeakPolarHBondContact O-CD2 3.46Å; K163-Y165 VanDerWaalsContact O-CE2 3.23Å; K163-Y165 WeakPolarHBondContact O-CE2 3.34Å
164A79.8Confident78.4Confident55 Ų5577.1 Ų77.146%0.45542%0.419SS..EExtended strand (participates in β ladder)trans-90.5129.5-176.300000111.5L155 G162L155-A164 HydrophobicContact CB-CB 4.06Å; L155-A164 HydrophobicContact CD1-CB 3.93Å; G162-A164 PolarHBondContact O-N 3.41Å
165Y80.1Confident79.3Confident49 Ų4975.7 Ų75.719%0.19241%0.412CS..EExtended strand (participates in β ladder)trans-120.5138.4-176.5-67.8-88.4000112.2L155 L156 C158 K163 S167 L171 H174L155-Y165 CarbonylContact C-O 3.59Å; L155-Y165 WeakPolarHBondContact CA-O 3.45Å; L156-Y165 PolarHBondContact N-O 3.04Å; L156-Y165 PolarHBondContact O-N 3.06Å; C158-Y165 HydrophobicContact CB-CE2 4.19Å; K163-Y165 HydrophobicContact CB-CE2 3.55Å; K163-Y165 WeakPolarHBondContact O-CD2 3.46Å; K163-Y165 VanDerWaalsContact O-CE2 3.23Å; K163-Y165 WeakPolarHBondContact O-CE2 3.34Å; Y165-S167 VanDerWaalsContact C-N 3.26Å; Y165-S167 PolarHBondContact O-N 3.32Å; Y165-L171 HydrophobicContact CD2-CB 4.15Å; Y165-L171 HydrophobicContact CD2-CD1 3.63Å; Y165-L171 HydrophobicContact CD2-CG 4.47Å; Y165-L171 HydrophobicContact CE2-CD1 3.99Å; Y165-L171 HydrophobicContact CG-CB 4.11Å; Y165-L171 HydrophobicContact CG-CD1 4.43Å; Y165-H174 HydrophobicContact CE1-CB 3.73Å; Y165-H174 HydrophobicContact CE2-CB 4.05Å; Y165-H174 AromaticContact CE2-CD2 3.37Å; Y165-H174 WeakPolarHBondContact CE2-CD2 3.4Å; Y165-H174 AromaticContact CE2-CG 3.72Å; Y165-H174 VanDerWaalsContact CZ-CB 3.46Å; Y165-H174 AromaticContact CZ-CD2 3.47Å; Y165-H174 VanDerWaalsContact CZ-CD2 3.47Å; Y165-H174 AromaticContact CZ-CG 3.29Å; Y165-H174 AromaticContact CZ-ND1 3.9Å; Y165-H174 WeakPolarHBondContact OH-CB 3.36Å; Y165-H174 PolarHBondContact OH-CD2 2.88Å; Y165-H174 VanDerWaalsContact OH-CD2 3.24Å; Y165-H174 PolarHBondContact OH-CE1 3.39Å; Y165-H174 PolarHBondContact OH-ND1 2.86Å
166K73.2Confident79.7Confident150 Ų15081.9 Ų81.965%0.65244%0.437SS*.SBendtrans-76.8-6-178.2-66.9177.6-179.1-177.50114.6K143 L155K143-K166 PolarHBondContact NZ-O 3.07Å; K143-K166 VanDerWaalsContact NZ-O 3.12Å; L155-K166 HydrophobicContact CD2-CB 4.23Å; L155-K166 HydrophobicContact CD2-CG 3.52Å
167S74.1Confident80Confident52 Ų5280.9 Ų80.936%0.36444%0.436SS..SBendtrans-155.9149.9-178.168.70000112.2Y165 A169 G170 L171Y165-S167 VanDerWaalsContact C-N 3.26Å; Y165-S167 PolarHBondContact O-N 3.32Å; S167-A169 VanDerWaalsContact C-N 3.33Å; S167-A169 PolarHBondContact O-N 2.91Å; S167-G170 PolarHBondContact O-N 2.93Å; S167-G170 VanDerWaalsContact O-N 3.16Å; S167-G170 PolarHBondContact OG-N 3.42Å; S167-L171 PolarHBondContact O-N 3.24Å; S167-L171 VanDerWaalsContact O-N 3.13Å
168K77.4Confident79.7Confident144 Ų14482.1 Ų82.163%0.62644%0.439SS*.Hα-helixtrans-59.4-41.2176-172.3175.2179.2177.50112.5L156 G170 L171 E172L156-K168 HydrophobicContact CD1-CB 3.81Å; L156-K168 HydrophobicContact CD1-CG 4.37Å; K168-G170 VanDerWaalsContact C-N 3.31Å; K168-G170 PolarHBondContact O-N 3.49Å; K168-L171 PolarHBondContact O-N 3.48Å; K168-E172 VanDerWaalsContact CE-OE1 3.25Å; K168-E172 WeakPolarHBondContact CE-OE1 3.36Å; K168-E172 WeakPolarHBondContact O-CG 3.22Å; K168-E172 PolarHBondContact O-N 2.91Å
169A79.6Confident79.4Confident66 Ų6684.8 Ų84.855%0.54545%0.451SS..Hα-helixtrans-64-34.7176.500000113S167 Y173S167-A169 VanDerWaalsContact C-N 3.33Å; S167-A169 PolarHBondContact O-N 2.91Å; A169-Y173 WeakPolarHBondContact O-CB 3.37Å; A169-Y173 PolarHBondContact O-N 3.17Å
170G80.3Confident78.9Confident24 Ų2481.8 Ų81.825%0.24743%0.433CS..Hα-helixtrans-68.3-40.4175.400000112.1S167 K168 H174S167-G170 PolarHBondContact O-N 2.93Å; S167-G170 VanDerWaalsContact O-N 3.16Å; S167-G170 PolarHBondContact OG-N 3.42Å; K168-G170 VanDerWaalsContact C-N 3.31Å; K168-G170 PolarHBondContact O-N 3.49Å; G170-H174 WeakPolarHBondContact O-CB 3.43Å; G170-H174 PolarHBondContact O-N 2.91Å
171L82.1Confident78.2Confident25 Ų2580.8 Ų80.813%0.13144%0.439CS..Hα-helixtrans-66-45.3173.9177.559.6000111.7L156 C158 Y165 S167 K168 Y173 H174 L175L156-L171 HydrophobicContact CB-CD2 3.73Å; C158-L171 HydrophobicContact CB-CD1 3.65Å; Y165-L171 HydrophobicContact CD2-CB 4.15Å; Y165-L171 HydrophobicContact CD2-CD1 3.63Å; Y165-L171 HydrophobicContact CD2-CG 4.47Å; Y165-L171 HydrophobicContact CE2-CD1 3.99Å; Y165-L171 HydrophobicContact CG-CB 4.11Å; Y165-L171 HydrophobicContact CG-CD1 4.43Å; S167-L171 PolarHBondContact O-N 3.24Å; S167-L171 VanDerWaalsContact O-N 3.13Å; K168-L171 PolarHBondContact O-N 3.48Å; L171-Y173 VanDerWaalsContact C-N 3.33Å; L171-Y173 PolarHBondContact O-N 3.45Å; L171-H174 WeakPolarHBondContact O-CB 3.37Å; L171-H174 PolarHBondContact O-N 3.26Å; L171-L175 HydrophobicContact CD1-CD1 4.31Å; L171-L175 HydrophobicContact CD1-CG 4.14Å; L171-L175 HydrophobicContact CG-CD1 4.07Å; L171-L175 HydrophobicContact CG-CG 4.36Å; L171-L175 WeakPolarHBondContact O-CG 3.41Å; L171-L175 PolarHBondContact O-N 3.11Å
172E80.1Confident76.3Confident106 Ų10684.4 Ų84.450%0.49546%0.46SS..Hα-helixtrans-61-40.4177-77.7175.2-17200112.4K168 L175 K176K168-E172 VanDerWaalsContact CE-OE1 3.25Å; K168-E172 WeakPolarHBondContact CE-OE1 3.36Å; K168-E172 WeakPolarHBondContact O-CG 3.22Å; K168-E172 PolarHBondContact O-N 2.91Å; E172-L175 PolarHBondContact O-N 3.33Å; E172-K176 VanDerWaalsContact O-CB 3.27Å; E172-K176 WeakPolarHBondContact O-CB 3.4Å; E172-K176 PolarHBondContact O-N 3.26Å
173Y83.6Confident74.8Confident171 Ų17188.1 Ų88.167%0.67148%0.476SS*.Hα-helixtrans-62.5-44.9174.1179.2-100.5000111.4A169 L171 K176 S177A169-Y173 WeakPolarHBondContact O-CB 3.37Å; A169-Y173 PolarHBondContact O-N 3.17Å; L171-Y173 VanDerWaalsContact C-N 3.33Å; L171-Y173 PolarHBondContact O-N 3.45Å; Y173-K176 CarbonylContact O-C 3.6Å; Y173-K176 PolarHBondContact O-N 3.07Å; Y173-S177 WeakPolarHBondContact O-CB 3.49Å; Y173-S177 PolarHBondContact O-N 3.06Å; Y173-S177 PolarHBondContact O-OG 3.42Å
174H84Confident73.1Confident7 Ų791.4 Ų91.43%0.03249%0.493CS..Hα-helixtrans-62.9-43.6177165.561.9000112.7C158 C161 Y165 G170 L171 K176 S177 E178 H179C158-H174 VanDerWaalsContact SG-CD2 3.59Å; C158-H174 PolarHBondContact SG-NE2 3.39Å; C161-H174 VanDerWaalsContact SG-CE1 3.55Å; C161-H174 PolarHBondContact SG-NE2 3.34Å; Y165-H174 HydrophobicContact CE1-CB 3.73Å; Y165-H174 HydrophobicContact CE2-CB 4.05Å; Y165-H174 AromaticContact CE2-CD2 3.37Å; Y165-H174 WeakPolarHBondContact CE2-CD2 3.4Å; Y165-H174 AromaticContact CE2-CG 3.72Å; Y165-H174 VanDerWaalsContact CZ-CB 3.46Å; Y165-H174 AromaticContact CZ-CD2 3.47Å; Y165-H174 VanDerWaalsContact CZ-CD2 3.47Å; Y165-H174 AromaticContact CZ-CG 3.29Å; Y165-H174 AromaticContact CZ-ND1 3.9Å; Y165-H174 WeakPolarHBondContact OH-CB 3.36Å; Y165-H174 PolarHBondContact OH-CD2 2.88Å; Y165-H174 VanDerWaalsContact OH-CD2 3.24Å; Y165-H174 PolarHBondContact OH-CE1 3.39Å; Y165-H174 PolarHBondContact OH-ND1 2.86Å; G170-H174 WeakPolarHBondContact O-CB 3.43Å; G170-H174 PolarHBondContact O-N 2.91Å; L171-H174 WeakPolarHBondContact O-CB 3.37Å; L171-H174 PolarHBondContact O-N 3.26Å; H174-K176 PolarHBondContact O-N 3.36Å; H174-S177 PolarHBondContact O-N 3.34Å; H174-S177 PolarHBondContact O-OG 2.74Å; H174-E178 VanDerWaalsContact ND1-CG 3.29Å; H174-E178 WeakPolarHBondContact ND1-CG 3.41Å; H174-E178 WeakPolarHBondContact O-CB 3.21Å; H174-E178 PolarHBondContact O-N 3.09Å; H174-H179 AromaticContact CE1-CD2 3.86Å; H174-H179 AromaticContact CE1-NE2 3.65Å; H174-H179 AromaticContact NE2-CD2 3.51Å; H174-H179 AromaticContact NE2-NE2 3.39Å; H174-H179 PolarHBondContact NE2-NE2 3.11Å
175L84.1Confident71.2Confident58 Ų5897.7 Ų97.730%0.30451%0.51SS..Hα-helixtrans-59.8-39.5173.7-71.2171.6000110.7L171 E172 H179 A180L171-L175 HydrophobicContact CD1-CD1 4.31Å; L171-L175 HydrophobicContact CD1-CG 4.14Å; L171-L175 HydrophobicContact CG-CD1 4.07Å; L171-L175 HydrophobicContact CG-CG 4.36Å; L171-L175 WeakPolarHBondContact O-CG 3.41Å; L171-L175 PolarHBondContact O-N 3.11Å; E172-L175 PolarHBondContact O-N 3.33Å; L175-H179 HydrophobicContact CD2-CB 4.4Å; L175-H179 CarbonylContact O-C 3.41Å; L175-H179 VanDerWaalsContact O-CA 3.25Å; L175-H179 WeakPolarHBondContact O-CA 3.27Å; L175-H179 WeakPolarHBondContact O-CB 3.09Å; L175-H179 PolarHBondContact O-N 2.78Å; L175-H179 VanDerWaalsContact O-N 3.09Å; L175-A180 PolarHBondContact O-N 3.17Å
176K81.8Confident69.2Low169 Ų169100.7 Ų100.774%0.73554%0.535SS*.Hα-helixtrans-75.1-26.5179.5-167.9171.3-174.3172.20114.1E172 Y173 H174 A180E172-K176 VanDerWaalsContact O-CB 3.27Å; E172-K176 WeakPolarHBondContact O-CB 3.4Å; E172-K176 PolarHBondContact O-N 3.26Å; Y173-K176 CarbonylContact O-C 3.6Å; Y173-K176 PolarHBondContact O-N 3.07Å; H174-K176 PolarHBondContact O-N 3.36Å; K176-A180 VanDerWaalsContact O-CB 3.28Å; K176-A180 WeakPolarHBondContact O-CB 3.49Å
177S80.7Confident67.8Low53 Ų53102.1 Ų102.137%0.37154%0.544SS..Hα-helixtrans-92.2-43.4-178.672.20000112.7Y173 H174Y173-S177 WeakPolarHBondContact O-CB 3.49Å; Y173-S177 PolarHBondContact O-N 3.06Å; Y173-S177 PolarHBondContact O-OG 3.42Å; H174-S177 PolarHBondContact O-N 3.34Å; H174-S177 PolarHBondContact O-OG 2.74Å
178E76.4Confident66.3Low122 Ų122108 Ų10857%0.5757%0.566SS**Hα-helixtrans-101.4-27.9-172.8-54.6-54.712500113.1H174H174-E178 VanDerWaalsContact ND1-CG 3.29Å; H174-E178 WeakPolarHBondContact ND1-CG 3.41Å; H174-E178 WeakPolarHBondContact O-CB 3.21Å; H174-E178 PolarHBondContact O-N 3.09Å
179H77.1Confident64.7Low59 Ų59105.7 Ų105.727%0.27356%0.56SS.*SBendtrans-120.825.1-176.6-57.3-60.6000111.7C158 H160 C161 H174 L175 P181C158-H179 VanDerWaalsContact SG-CD2 3.55Å; H160-H179 VanDerWaalsContact CB-CE1 3.42Å; H160-H179 WeakPolarHBondContact CB-CE1 3.32Å; H160-H179 AromaticContact CD2-CG 4Å; C161-H179 PolarHBondContact SG-NE2 3.28Å; H174-H179 AromaticContact CE1-CD2 3.86Å; H174-H179 AromaticContact CE1-NE2 3.65Å; H174-H179 AromaticContact NE2-CD2 3.51Å; H174-H179 AromaticContact NE2-NE2 3.39Å; H174-H179 PolarHBondContact NE2-NE2 3.11Å; L175-H179 HydrophobicContact CD2-CB 4.4Å; L175-H179 CarbonylContact O-C 3.41Å; L175-H179 VanDerWaalsContact O-CA 3.25Å; L175-H179 WeakPolarHBondContact O-CA 3.27Å; L175-H179 WeakPolarHBondContact O-CB 3.09Å; L175-H179 PolarHBondContact O-N 2.78Å; L175-H179 VanDerWaalsContact O-N 3.09Å; H179-P181 VanDerWaalsContact O-CD 3.29Å; H179-P181 WeakPolarHBondContact O-CD 3.38Å; H179-P181 VanDerWaalsContact O-N 3.14Å
180A69.6Low63.1Low58 Ų58110.9 Ų110.948%0.47957%0.573SS.*PPolyproline II helixtrans-55.4120.9174.200000108.6L175 K176 T182L175-A180 PolarHBondContact O-N 3.17Å; K176-A180 VanDerWaalsContact O-CB 3.28Å; K176-A180 WeakPolarHBondContact O-CB 3.49Å; A180-T182 PolarHBondContact O-N 3.28Å; A180-T182 VanDerWaalsContact O-N 3.12Å
181P61Low61.3Low117 Ų117113.5 Ų113.576%0.7659%0.592SS**PPolyproline II helixtrans-59.3121.4173.1-19.130.5000108.2H179 P183H179-P181 VanDerWaalsContact O-CD 3.29Å; H179-P181 WeakPolarHBondContact O-CD 3.38Å; H179-P181 VanDerWaalsContact O-N 3.14Å; P181-P183 VanDerWaalsContact O-CD 3.26Å; P181-P183 WeakPolarHBondContact O-CD 3.28Å
182T41.2Very low59.6Low129 Ų129118.2 Ų118.279%0.79162%0.617SS**PPolyproline II helixtrans-53.2118.8166.811.10000108.1A180 Q184A180-T182 PolarHBondContact O-N 3.28Å; A180-T182 VanDerWaalsContact O-N 3.12Å; T182-Q184 PolarHBondContact O-N 2.82Å
183P46.2Very low57.7Low124 Ų124120 Ų12081%0.80562%0.623SS**  trans-69.3103.2177.5-14.428.6000108.8P181P181-P183 VanDerWaalsContact O-CD 3.26Å; P181-P183 WeakPolarHBondContact O-CD 3.28Å
184Q42.4Very low55.7Low181 Ų181115.6 Ų115.685%0.84662%0.622SS**  trans-74.6120157.1-70.9-173.5-16.600106.9T182T182-Q184 PolarHBondContact O-N 2.82Å
185K41.1Very low53.7Low188 Ų188123.5 Ų123.582%0.81766%0.659SS**  trans-67.4143.8177.7-66.1175.7175.1179.60110.3
186P38.1Very low51.8Low111 Ų111130.5 Ų130.572%0.72168%0.681SS**  trans-113.9137.6136.7-0.921.4000110.3E188P186-E188 PolarHBondContact O-N 2.77Å; P186-E188 VanDerWaalsContact O-N 3.1Å
187E43Very low49.8Very low181 Ų181129.4 Ų129.485%0.84668%0.679SS**THydrogen-bonded Turntrans-7618.9-167.8-67.7-172.3132.600116
188E43.4Very low47.9Very low174 Ų174131.3 Ų131.381%0.81370%0.698SS**THydrogen-bonded Turntrans-103.2-0.6-167.2-64.2-174.4149.700115.6P186P186-E188 PolarHBondContact O-N 2.77Å; P186-E188 VanDerWaalsContact O-N 3.1Å
189D42.5Very low46.4Very low96 Ų96131.8 Ų131.851%0.51370%0.704SS.*  trans-112.120-170.4-152.821000114.8
190E46.1Very low45Very low176 Ų176133.8 Ų133.882%0.82272%0.722SS**SBendtrans-80.7-25.6172.5-85.3-102135.400112.4
191A43.3Very low44.2Very low78 Ų78139.5 Ų139.565%0.64574%0.739SS**THydrogen-bonded Turntrans-80.8-27.5-177.600000113.6
192L46.1Very low43.6Very low125 Ų125143.3 Ų143.365%0.65474%0.738SS**THydrogen-bonded Turntrans-88.3-18.4-175.3-73.580000113.3
193K40Very low44.3Very low142 Ų142139.4 Ų139.462%0.61771%0.714SS**THydrogen-bonded Turntrans-78.2-29.8174.8-97.8174.8179.8162.90113.7H195 R196K193-H195 PolarHBondContact O-N 3.28Å; K193-R196 PolarHBondContact O-N 3Å
194A41.7Very low44.6Very low79 Ų79140.6 Ų140.665%0.65372%0.722SS**THydrogen-bonded Turntrans-65.3-25.1-176.900000113.6
195H42.7Very low45.1Very low174 Ų174137 Ų13781%0.80672%0.717SS**THydrogen-bonded Turntrans-92.1-2.5-176.8-151.8-77.8000114.5K193K193-H195 PolarHBondContact O-N 3.28Å
196R42.9Very low46Very low205 Ų205130.7 Ų130.777%0.77471%0.705SS**THydrogen-bonded Turntrans-109.7-5.1178.6-118178.4178.4170.10.3114.3K193 A198K193-R196 PolarHBondContact O-N 3Å; R196-A198 VanDerWaalsContact C-N 3.28Å; R196-A198 PolarHBondContact O-N 2.93Å
197E39.8Very low46.5Very low146 Ų146135.2 Ų135.268%0.68271%0.708SS**  trans-89.625177.6-66.9-164.6155.100114N199E197-N199 VanDerWaalsContact C-N 3.35Å; E197-N199 PolarHBondContact O-N 3.45Å
198A42.2Very low47.3Very low92 Ų92133 Ų13376%0.7671%0.706SS**  trans-78.289.8166.800000110R196R196-A198 VanDerWaalsContact C-N 3.28Å; R196-A198 PolarHBondContact O-N 2.93Å
199N43.7Very low48.3Very low132 Ų132127.6 Ų127.671%0.70668%0.681SS**  trans75.1106.4156.4-155.21.5000117.6E197 E201E197-N199 VanDerWaalsContact C-N 3.35Å; E197-N199 PolarHBondContact O-N 3.45Å; N199-E201 PolarHBondContact OD1-N 2.89Å
200P48Very low49.7Very low101 Ų101132.4 Ų132.466%0.65669%0.692SS**  -132.5143.8108.721.2-3.2000112.6R202P200-R202 PolarHBondContact O-N 3.44Å
201E53.5Low50.8Low178 Ų178127.3 Ų127.383%0.83268%0.68SS**  trans-40.1116.9-172-68.3-178.511700114.5N199N199-E201 PolarHBondContact OD1-N 2.89Å
202R47.6Very low51.7Low198 Ų198127.4 Ų127.475%0.74768%0.676SS**  trans-73.4135.1173.6-72.2179.1169.9-172.2-2.1109.7P200P200-R202 PolarHBondContact O-N 3.44Å
203T55.2Low53Low47 Ų47123 Ų12329%0.28866%0.657SS.*  trans-64.9154.2164.260.70000110.1S205 G206 R207 Q209T203-S205 PolarHBondContact O-N 3.26Å; T203-G206 PolarHBondContact O-N 3.41Å; T203-R207 PolarHBondContact OG1-O 3.12Å; T203-Q209 HydrophobicContact CG2-CG 4.38Å
204P53.1Low54.7Low149 Ų149120 Ų12097%0.96865%0.645SS**THydrogen-bonded Turntrans-57.4-8.8-178.8-25.333.7000115.5
205S52.8Low56.3Low106 Ų106120 Ų12074%0.74164%0.638SS**THydrogen-bonded Turntrans-100.28.2179.5-162.70000113.6T203 R207T203-S205 PolarHBondContact O-N 3.26Å; S205-R207 PolarHBondContact O-N 3.27Å
206G60Low57.7Low55 Ų55114 Ų11457%0.56762%0.617SS**  trans68.84.7172.500000115.8T203T203-G206 PolarHBondContact O-N 3.41Å
207R48.9Very low59.4Low206 Ų206108 Ų10878%0.77760%0.601SS**PPolyproline II helixtrans-94.5127.8-179.7-161.4176.2-164.71756.3110.5T203 S205 Q209T203-R207 PolarHBondContact OG1-O 3.12Å; S205-R207 PolarHBondContact O-N 3.27Å; R207-Q209 PolarHBondContact O-N 2.9Å
208V59.3Low61.1Low133 Ų133107.3 Ų107.381%0.80660%0.596SS**PPolyproline II helixtrans-60.7118.9174.3-178.50000108.9
209Q64.7Low62.5Low61 Ų61107.3 Ų107.329%0.28558%0.58SS.*PPolyproline II helixtrans-74.8134.5177.2-124.6-174.5-1200109T203 R207 A213 Q214 N217T203-Q209 HydrophobicContact CG2-CG 4.38Å; R207-Q209 PolarHBondContact O-N 2.9Å; Q209-A213 HydrophobicContact CG-CB 4.05Å; Q209-Q214 HydrophobicContact CB-CG 4Å; Q209-N217 PolarHBondContact NE2-ND2 2.97Å
210R73.3Confident63.9Low198 Ų198106.3 Ų106.375%0.74757%0.574SS**PPolyproline II helixtrans-62.9141.9172.6-73.4-174.7-97.3131.3-7.9109.2S212 A213 Q214R210-S212 PolarHBondContact O-N 3.41Å; R210-A213 WeakPolarHBondContact O-CA 3.37Å; R210-A213 VanDerWaalsContact O-CB 3.32Å; R210-A213 WeakPolarHBondContact O-CB 3.45Å; R210-A213 PolarHBondContact O-N 3.27Å; R210-Q214 PolarHBondContact O-N 2.85Å
211A67.8Low65.1Low69 Ų69103.7 Ų103.757%0.5756%0.561SS**Hα-helixtrans-51.4-36.4-178.900000113.4A213 Q214 V215A211-A213 VanDerWaalsContact C-N 3.29Å; A211-A213 PolarHBondContact O-N 2.94Å; A211-Q214 PolarHBondContact O-N 3.17Å; A211-V215 WeakPolarHBondContact O-CG2 3.44Å; A211-V215 PolarHBondContact O-N 3.39Å
212S63.1Low65.8Low80 Ų8099.6 Ų99.656%0.55954%0.542SS*.Hα-helixtrans-62.6-32.8175.362.90000113.8R210 A216R210-S212 PolarHBondContact O-N 3.41Å; S212-A216 WeakPolarHBondContact O-CB 3.48Å; S212-A216 PolarHBondContact O-N 3.45Å; S212-A216 VanDerWaalsContact O-N 3.07Å
213A71.9Confident66.7Low32 Ų3295.7 Ų95.726%0.26454%0.535SS..Hα-helixtrans-77.1-32.6178.400000111.7Q209 R210 A211 A216 N217Q209-A213 HydrophobicContact CG-CB 4.05Å; R210-A213 WeakPolarHBondContact O-CA 3.37Å; R210-A213 VanDerWaalsContact O-CB 3.32Å; R210-A213 WeakPolarHBondContact O-CB 3.45Å; R210-A213 PolarHBondContact O-N 3.27Å; A211-A213 VanDerWaalsContact C-N 3.29Å; A211-A213 PolarHBondContact O-N 2.94Å; A213-A216 PolarHBondContact O-N 2.92Å; A213-N217 WeakPolarHBondContact O-CB 3.45Å; A213-N217 VanDerWaalsContact O-CG 3.29Å; A213-N217 PolarHBondContact O-N 3.45Å
214Q76.6Confident67.1Low78 Ų7896.6 Ų96.636%0.36455%0.547SS..Hα-helixtrans-66.8-45.2173.1-66174.5-48.400110.9Q209 R210 A211 A216 N217 F218Q209-Q214 HydrophobicContact CB-CG 4Å; R210-Q214 PolarHBondContact O-N 2.85Å; A211-Q214 PolarHBondContact O-N 3.17Å; Q214-A216 VanDerWaalsContact C-N 3.33Å; Q214-A216 PolarHBondContact O-N 3.22Å; Q214-N217 PolarHBondContact O-N 3.25Å; Q214-F218 WeakPolarHBondContact O-CB 3.28Å; Q214-F218 PolarHBondContact O-N 3.49Å
215V75.7Confident67.6Low81 Ų8196 Ų9649%0.49154%0.535SS..Hα-helixtrans-61.6-41.6175.1174.80000111.3A211 F218 H219A211-V215 WeakPolarHBondContact O-CG2 3.44Å; A211-V215 PolarHBondContact O-N 3.39Å; V215-F218 PolarHBondContact O-N 3.36Å; V215-H219 PolarHBondContact O-CD2 3.19Å; V215-H219 PolarHBondContact O-N 3.26Å
216A71.6Confident68.1Low46 Ų4697.2 Ų97.238%0.3853%0.534SS..Hα-helixtrans-64.2-42.917500000112.3S212 A213 Q214 F218 H219 L220S212-A216 WeakPolarHBondContact O-CB 3.48Å; S212-A216 PolarHBondContact O-N 3.45Å; S212-A216 VanDerWaalsContact O-N 3.07Å; A213-A216 PolarHBondContact O-N 2.92Å; Q214-A216 VanDerWaalsContact C-N 3.33Å; Q214-A216 PolarHBondContact O-N 3.22Å; A216-F218 VanDerWaalsContact C-N 3.33Å; A216-F218 PolarHBondContact O-N 3.13Å; A216-H219 PolarHBondContact O-N 3.07Å; A216-L220 WeakPolarHBondContact O-CB 3.14Å; A216-L220 VanDerWaalsContact O-CG 3.22Å; A216-L220 WeakPolarHBondContact O-CG 3.42Å; A216-L220 PolarHBondContact O-N 3.38Å
217N78.1Confident67.9Low81 Ų81100.3 Ų100.343%0.43353%0.533SS..Hα-helixtrans-63.4-39.2176.1-80.60000112.1Q209 A213 Q214 L220 A221Q209-N217 PolarHBondContact NE2-ND2 2.97Å; A213-N217 WeakPolarHBondContact O-CB 3.45Å; A213-N217 VanDerWaalsContact O-CG 3.29Å; A213-N217 PolarHBondContact O-N 3.45Å; Q214-N217 PolarHBondContact O-N 3.25Å; N217-L220 PolarHBondContact O-N 3.27Å; N217-A221 WeakPolarHBondContact O-CB 3.38Å; N217-A221 PolarHBondContact O-N 2.89Å
218F76.8Confident67.5Low131 Ų13197 Ų9758%0.57553%0.53SS*.Hα-helixtrans-60.3-51.1175.8178.4-93.4000111Q214 V215 A216 L220 A221 E222Q214-F218 WeakPolarHBondContact O-CB 3.28Å; Q214-F218 PolarHBondContact O-N 3.49Å; V215-F218 PolarHBondContact O-N 3.36Å; A216-F218 VanDerWaalsContact C-N 3.33Å; A216-F218 PolarHBondContact O-N 3.13Å; F218-L220 VanDerWaalsContact C-N 3.32Å; F218-L220 PolarHBondContact O-N 2.62Å; F218-A221 PolarHBondContact O-N 3.01Å; F218-E222 WeakPolarHBondContact O-CB 3.33Å; F218-E222 PolarHBondContact O-N 3.4Å
219H72Confident67Low91 Ų9195.5 Ų95.542%0.42152%0.523SS..Hα-helixtrans-65.2-34.7177.4-70.1-53.5000113V215 A216 E222 I223V215-H219 PolarHBondContact O-CD2 3.19Å; V215-H219 PolarHBondContact O-N 3.26Å; A216-H219 PolarHBondContact O-N 3.07Å; H219-E222 IonicContact ND1-OE2 2.8Å; H219-E222 PolarHBondContact ND1-OE2 2.75Å; H219-E222 PolarHBondContact O-N 2.83Å; H219-I223 WeakPolarHBondContact O-CB 3.36Å; H219-I223 WeakPolarHBondContact O-CD1 3.35Å; H219-I223 WeakPolarHBondContact O-CG1 3.33Å; H219-I223 PolarHBondContact O-N 3.13Å
220L72.7Confident66.2Low112 Ų112102.6 Ų102.659%0.58655%0.553SS**Hα-helixtrans-66-39.2174-73.6169.9000112A216 N217 F218 A224A216-L220 WeakPolarHBondContact O-CB 3.14Å; A216-L220 VanDerWaalsContact O-CG 3.22Å; A216-L220 WeakPolarHBondContact O-CG 3.42Å; A216-L220 PolarHBondContact O-N 3.38Å; N217-L220 PolarHBondContact O-N 3.27Å; F218-L220 VanDerWaalsContact C-N 3.32Å; F218-L220 PolarHBondContact O-N 2.62Å; L220-A224 WeakPolarHBondContact O-CB 3.46Å; L220-A224 PolarHBondContact O-N 3.48Å
221A72.3Confident64.6Low46 Ų46100 Ų10038%0.3855%0.554SS.*Hα-helixtrans-69-39.317500000111.7N217 F218 A224 N225N217-A221 WeakPolarHBondContact O-CB 3.38Å; N217-A221 PolarHBondContact O-N 2.89Å; F218-A221 PolarHBondContact O-N 3.01Å; A221-A224 PolarHBondContact O-N 3.38Å; A221-N225 WeakPolarHBondContact O-CB 3.09Å; A221-N225 PolarHBondContact O-N 2.9Å; A221-N225 PolarHBondContact O-ND2 2.87Å; A221-N225 VanDerWaalsContact O-ND2 3.13Å
222E69.1Low63.1Low91 Ų91104.4 Ų104.443%0.42556%0.556SS.*Hα-helixtrans-62.4-44.5174.9-169.3178.1-164.700111.2F218 H219 A224 N225 N226F218-E222 WeakPolarHBondContact O-CB 3.33Å; F218-E222 PolarHBondContact O-N 3.4Å; H219-E222 IonicContact ND1-OE2 2.8Å; H219-E222 PolarHBondContact ND1-OE2 2.75Å; H219-E222 PolarHBondContact O-N 2.83Å; E222-A224 PolarHBondContact O-N 3.44Å; E222-N225 PolarHBondContact O-N 3.16Å; E222-N226 WeakPolarHBondContact O-CB 3.3Å; E222-N226 PolarHBondContact O-N 3.47Å
223I66.1Low62.2Low117 Ų117105.4 Ų105.460%0.656%0.561SS**Hα-helixtrans-63.8-40.3173.8-68162.6000111.3H219 N225H219-I223 WeakPolarHBondContact O-CB 3.36Å; H219-I223 WeakPolarHBondContact O-CD1 3.35Å; H219-I223 WeakPolarHBondContact O-CG1 3.33Å; H219-I223 PolarHBondContact O-N 3.13Å; I223-N225 VanDerWaalsContact C-N 3.29Å; I223-N225 PolarHBondContact O-N 2.92Å
224A63.8Low60.9Low65 Ų65113.4 Ų113.454%0.53759%0.589SS.*Hα-helixtrans-65.6-33176.900000112.5L220 A221 E222L220-A224 WeakPolarHBondContact O-CB 3.46Å; L220-A224 PolarHBondContact O-N 3.48Å; A221-A224 PolarHBondContact O-N 3.38Å; E222-A224 PolarHBondContact O-N 3.44Å
225N63.9Low58.9Low136 Ų136118.2 Ų118.273%0.72760%0.604SS**Hα-helixtrans-85.8-26.9-178.4-71.2-29.3000113.3A221 E222 I223A221-N225 WeakPolarHBondContact O-CB 3.09Å; A221-N225 PolarHBondContact O-N 2.9Å; A221-N225 PolarHBondContact O-ND2 2.87Å; A221-N225 VanDerWaalsContact O-ND2 3.13Å; E222-N225 PolarHBondContact O-N 3.16Å; I223-N225 VanDerWaalsContact C-N 3.29Å; I223-N225 PolarHBondContact O-N 2.92Å
226N63Low57.2Low132 Ų132123.5 Ų123.571%0.70662%0.621SS**Hα-helixtrans-101.5-2.3-173.6-106.95.5000117.3E222E222-N226 WeakPolarHBondContact O-CB 3.3Å; E222-N226 PolarHBondContact O-N 3.47Å
227E55.5Low55.4Low121 Ų121130 Ų13057%0.56564%0.641SS**  trans-140.476.4170.8-72.6-153171.800114.1
228L41.1Very low53.3Low135 Ų135135.4 Ų135.471%0.70766%0.663SS**  trans-123.9101.1149.3-75.3170.8000109.2K230L228-K230 PolarHBondContact O-N 2.99Å
229P47.5Very low51.1Low102 Ų102132.3 Ų132.366%0.66266%0.658SS**  trans-52.1127.6151.2-21.733.3000108.1D231P229-D231 PolarHBondContact O-N 2.93Å
230K49.5Very low49.8Very low211 Ų211133.8 Ų133.892%0.91767%0.669SS**SBendtrans-60.520.8-178.4-79.3176173175.30115.4L228L228-K230 PolarHBondContact O-N 2.99Å
231D38.9Very low48.6Very low143 Ų143136.6 Ų136.677%0.76568%0.684SS**  trans-111.941.4177.9-68-45.8000112.8P229 P233P229-D231 PolarHBondContact O-N 2.93Å; D231-P233 WeakPolarHBondContact O-CD 2.85Å
232W37.1Very low47.1Very low161 Ų161137.8 Ų137.861%0.6169%0.686SS**  trans-102.267.9163-167.5-96.6000113R235W232-R235 HydrophobicContact CH2-CB 3.99Å; W232-R235 HydrophobicContact CH2-CG 4.46Å; W232-R235 HydrophobicContact CZ2-CB 3.21Å; W232-R235 HydrophobicContact CZ2-CG 4.03Å
233P42.5Very low46.1Very low101 Ų101137.3 Ų137.366%0.65669%0.691SS**  trans-86.9120.816132.1-26.4000109.6D231D231-P233 WeakPolarHBondContact O-CD 2.85Å
234K44.5Very low45.4Very low200 Ų200135.7 Ų135.787%0.8768%0.683SS**  trans81.358.7157.9-51.9172-179.5175.40118.8
235R34.8Very low45Very low180 Ų180136.9 Ų136.968%0.67968%0.681SS**  trans-106.5103.9148.7-147.2-179.8-83.2-163-1.8109.9W232W232-R235 HydrophobicContact CH2-CB 3.99Å; W232-R235 HydrophobicContact CH2-CG 4.46Å; W232-R235 HydrophobicContact CZ2-CB 3.21Å; W232-R235 HydrophobicContact CZ2-CG 4.03Å
236K40.3Very low44.7Very low192 Ų192139.2 Ų139.284%0.83569%0.685SS**  trans-69.1140.4173.5-70.5-179.2176.2-178.80109.5
237F34.3Very low44.8Very low183 Ų183138 Ų13880%0.80367%0.673SS**  trans74.8123.2158-135.4-104.4000118.8S239F237-S239 PolarHBondContact O-N 3.21Å
238Q33.6Very low45.5Very low194 Ų194132.7 Ų132.791%0.90765%0.648SS**THydrogen-bonded Turntrans-78.353.9178.7-168-179.58.900111.1
239S31.8Very low46.9Very low66 Ų66128.7 Ų128.746%0.46263%0.625SS.*THydrogen-bonded Turntrans-112.8-10.5171.651.30000113.3F237 L241F237-S239 PolarHBondContact O-N 3.21Å; S239-L241 PolarHBondContact O-N 3.41Å
240D43.7Very low48Very low121 Ų121124 Ų12465%0.64759%0.594SS**THydrogen-bonded Turntrans-107.543.3-165.9-69.810.3000113.3
241L46.7Very low49.2Very low171 Ų171115.8 Ų115.890%0.89557%0.566SS**THydrogen-bonded Turntrans-79-8.2156.7-76.8172.6000112S239S239-L241 PolarHBondContact O-N 3.41Å
242V42.3Very low50.6Low72 Ų72112.6 Ų112.644%0.43654%0.543SS..SBendtrans-88.9122.6174.31790000108.5D244V242-D244 PolarHBondContact O-N 2.75Å; V242-D244 VanDerWaalsContact O-N 3.13Å
243P46.8Very low51.9Low81 Ų81106.6 Ų106.653%0.52653%0.525SS..  trans-54.7122171.7-24.834.3000109.9D245P243-D245 PolarHBondContact O-N 3.26Å
244D52.6Low52.5Low82 Ų82104.8 Ų104.844%0.43952%0.524SS..  trans-34.5117.6177.7-164.7-15.3000111.4V242 K246 K247V242-D244 PolarHBondContact O-N 2.75Å; V242-D244 VanDerWaalsContact O-N 3.13Å; D244-K246 PolarHBondContact O-N 2.92Å; D244-K246 WeakPolarHBondContact OD1-CG 3.44Å; D244-K247 HydrophobicContact CB-CD 4.39Å; D244-K247 HydrophobicContact CB-CG 4.44Å; D244-K247 WeakPolarHBondContact O-CB 3.24Å; D244-K247 PolarHBondContact O-N 3.36Å
245D54.8Low52.8Low90 Ų90100 Ų10048%0.48151%0.508SS..G310 helixtrans-55.8-23.5-173.9-68.3-38.4000111.8P243 K247 L248 R252P243-D245 PolarHBondContact O-N 3.26Å; D245-K247 PolarHBondContact O-N 2.76Å; D245-K247 VanDerWaalsContact O-N 3.16Å; D245-L248 WeakPolarHBondContact O-CB 3.46Å; D245-L248 PolarHBondContact O-N 3.08Å; D245-L248 VanDerWaalsContact O-N 3.08Å; D245-R252 IonicContact OD1-CZ 3.25Å; D245-R252 IonicContact OD1-NH1 3.99Å
246K57.7Low53.8Low186 Ų18692.7 Ų92.781%0.80948%0.484SS*.G310 helixtrans-61.9-17.9173.3-61-179.6-176.5-179.70114.1D244D244-K246 PolarHBondContact O-N 2.92Å; D244-K246 WeakPolarHBondContact OD1-CG 3.44Å
247K64.8Low54.5Low106 Ų10688.7 Ų88.746%0.46149%0.486SS..G310 helixtrans-97.9-0.7178-60.1178.7-172.3167.20112.6D244 D245 V339D244-K247 HydrophobicContact CB-CD 4.39Å; D244-K247 HydrophobicContact CB-CG 4.44Å; D244-K247 WeakPolarHBondContact O-CB 3.24Å; D244-K247 PolarHBondContact O-N 3.36Å; D245-K247 PolarHBondContact O-N 2.76Å; D245-K247 VanDerWaalsContact O-N 3.16Å; K247-V339 HydrophobicContact CB-CB 4.43Å; K247-V339 WeakPolarHBondContact O-CG2 3.42Å; K247-V339 PolarHBondContact O-N 3.36Å
248L70.8Confident55.8Low9 Ų981.4 Ų81.45%0.04745%0.454CS..BIsolated β-bridgetrans-93.4143.3178.7-59.1177.2000110.2D245 Y250 W337D245-L248 WeakPolarHBondContact O-CB 3.46Å; D245-L248 PolarHBondContact O-N 3.08Å; D245-L248 VanDerWaalsContact O-N 3.08Å; L248-Y250 HydrophobicContact CB-CD1 4.44Å; L248-Y250 HydrophobicContact CB-CE1 4.36Å; L248-Y250 HydrophobicContact CD1-CE2 4.31Å; L248-Y250 HydrophobicContact CD2-CE1 4.27Å; L248-Y250 PolarHBondContact O-N 3.25Å; L248-W337 HydrophobicContact CD2-CE3 3.67Å; L248-W337 HydrophobicContact CD2-CZ3 3.49Å; L248-W337 VanDerWaalsContact CD2-CZ3 3.49Å
249K70.8Confident57.5Low51 Ų5175.3 Ų75.322%0.22243%0.433CS..SBendtrans-88.514.9173-56.7-159.8-174-150.40113L313 I314 I329 Q335 D336 W337 V339K249-L313 WeakPolarHBondContact O-CB 3.23Å; K249-L313 PolarHBondContact O-N 3.1Å; K249-I314 HydrophobicContact CB-CD1 4.24Å; K249-I314 HydrophobicContact CB-CG1 4.42Å; K249-I314 HydrophobicContact CD-CD1 3.95Å; K249-I329 HydrophobicContact CB-CD1 4.2Å; K249-Q335 HydrophobicContact CD-CG 3.96Å; K249-D336 VanDerWaalsContact CD-O 3.3Å; K249-D336 WeakPolarHBondContact CD-O 3.33Å; K249-D336 VanDerWaalsContact CE-O 3.25Å; K249-D336 WeakPolarHBondContact CE-O 3.29Å; K249-W337 PolarHBondContact N-O 2.81Å; K249-V339 HydrophobicContact CG-CG2 4.41Å
250Y71.1Confident59.4Low3 Ų380.5 Ų80.51%0.01245%0.45CS..EExtended strand (participates in β ladder)trans-139.7146.6171.860.5-85.8000110.1L248 R252 Y310 R311 E322 V325 K326 I329 W337L248-Y250 HydrophobicContact CB-CD1 4.44Å; L248-Y250 HydrophobicContact CB-CE1 4.36Å; L248-Y250 HydrophobicContact CD1-CE2 4.31Å; L248-Y250 HydrophobicContact CD2-CE1 4.27Å; L248-Y250 PolarHBondContact O-N 3.25Å; Y250-R252 HydrophobicContact CD2-CG 4.32Å; Y250-R252 HydrophobicContact CE2-CG 3.85Å; Y250-Y310 HydrophobicContact CD2-CD1 4.11Å; Y250-Y310 HydrophobicContact CE2-CD1 4.07Å; Y250-R311 CarbonylContact C-O 3.49Å; Y250-R311 WeakPolarHBondContact CA-O 3.46Å; Y250-R311 VanDerWaalsContact CB-O 3.3Å; Y250-R311 WeakPolarHBondContact CB-O 3.32Å; Y250-E322 HydrophobicContact CE2-CG 3.99Å; Y250-E322 PolarHBondContact OH-OE1 3Å; Y250-V325 VanDerWaalsContact CB-CG2 3.47Å; Y250-V325 HydrophobicContact CD1-CG1 4.08Å; Y250-V325 HydrophobicContact CD2-CG1 3.59Å; Y250-V325 HydrophobicContact CE1-CG1 4.45Å; Y250-V325 HydrophobicContact CE2-CG1 4.02Å; Y250-V325 HydrophobicContact CG-CB 4.48Å; Y250-V325 HydrophobicContact CG-CG1 3.64Å; Y250-V325 HydrophobicContact CG-CG2 3.99Å; Y250-K326 HydrophobicContact CE1-CG 4Å; Y250-K326 WeakPolarHBondContact OH-CE 3.26Å; Y250-I329 HydrophobicContact CD1-CD1 3.69Å; Y250-I329 HydrophobicContact CG-CD1 4.23Å; Y250-W337 HydrophobicContact CD1-CB 4.4Å; Y250-W337 HydrophobicContact CE1-CB 4.27Å; Y250-W337 HydrophobicContact CE1-CD2 4.23Å; Y250-W337 AromaticContact CE1-CE3 3.54Å; Y250-W337 HydrophobicContact CE1-CE3 3.54Å; Y250-W337 HydrophobicContact CE1-CZ3 4.19Å
251A73Confident60.7Low39 Ų3980 Ų8032%0.32244%0.444SS..EExtended strand (participates in β ladder)trans-81.7133.2169.200000109.2Y310 R311 L313A251-Y310 WeakPolarHBondContact O-CA 3.36Å; A251-R311 HydrophobicContact CB-CB 4.33Å; A251-R311 PolarHBondContact N-O 2.89Å; A251-R311 PolarHBondContact O-N 3.36Å; A251-L313 HydrophobicContact CB-CD2 4.09Å
252R68.3Low62.1Low77 Ų7774.1 Ų74.129%0.29142%0.415SS..PPolyproline II helixtrans-80.3147.6167.1-71.1-171.7-169.71527109.6D245 Y250 G254 Y310 E322D245-R252 IonicContact OD1-CZ 3.25Å; D245-R252 IonicContact OD1-NH1 3.99Å; Y250-R252 HydrophobicContact CD2-CG 4.32Å; Y250-R252 HydrophobicContact CE2-CG 3.85Å; R252-G254 PolarHBondContact O-N 3.45Å; R252-G254 VanDerWaalsContact O-N 3.17Å; R252-Y310 HydrophobicContact CB-CE1 4.47Å; R252-Y310 HydrophobicContact CG-CD1 4.21Å; R252-Y310 HydrophobicContact CG-CE1 4Å; R252-E322 IonicContact NH2-OE1 2.75Å
253P64.8Low63.7Low35 Ų3573.3 Ų73.323%0.22741%0.408CS..PPolyproline II helixtrans-49.4123.4165.1-25.736.8000109L255 G308 Y310P253-L255 PolarHBondContact O-N 3.41Å; P253-G308 VanDerWaalsContact CB-C 3.42Å; P253-G308 WeakPolarHBondContact CB-O 3.26Å; P253-G308 WeakPolarHBondContact CG-O 3.49Å; P253-Y310 HydrophobicContact CG-CD1 4.36Å; P253-Y310 HydrophobicContact CG-CD2 3.88Å; P253-Y310 HydrophobicContact CG-CE1 4.43Å; P253-Y310 HydrophobicContact CG-CE2 3.95Å; P253-Y310 HydrophobicContact CG-CG 4.09Å
254G55.1Low65.2Low62 Ų6276.8 Ų76.864%0.63941%0.411SS*.PPolyproline II helixtrans-54.5129.516400000107.5R252R252-G254 PolarHBondContact O-N 3.45Å; R252-G254 VanDerWaalsContact O-N 3.17Å
255L51.4Low66.6Low100 Ų10079 Ų7952%0.52442%0.416SS..PPolyproline II helixtrans-47.4135.9168.6-83.1150.5000108.1P253 A257 K294P253-L255 PolarHBondContact O-N 3.41Å; L255-A257 PolarHBondContact O-N 3.15Å; L255-A257 VanDerWaalsContact O-N 3.12Å; L255-K294 HydrophobicContact CD2-CD 4.33Å; L255-K294 HydrophobicContact CD2-CG 3.88Å
256P55.5Low68Low27 Ų2775.7 Ų75.718%0.17540%0.397CS..PPolyproline II helixtrans-47.5127.4173.5-24.931.6000108.7F258 F305P256-F258 HydrophobicContact CB-CE1 4.11Å; P256-F258 HydrophobicContact CB-CE2 4.03Å; P256-F258 HydrophobicContact CB-CZ 3.75Å; P256-F258 HydrophobicContact CG-CE2 4.4Å; P256-F258 HydrophobicContact CG-CZ 4.06Å; P256-F258 WeakPolarHBondContact O-CD2 3.28Å; P256-F258 WeakPolarHBondContact O-CE2 3.44Å; P256-F258 PolarHBondContact O-N 3.45Å; P256-F305 HydrophobicContact CB-CD1 4.19Å; P256-F305 HydrophobicContact CG-CB 4.5Å
257A54.8Low69.2Low108 Ų10872.8 Ų72.889%0.89339%0.385SS*.  trans-71.285.8-177.900000108.4L255L255-A257 PolarHBondContact O-N 3.15Å; L255-A257 VanDerWaalsContact O-N 3.12Å
258F62.3Low70Confident29 Ų2971.8 Ų71.813%0.12738%0.384CS..  trans-69132.6174.7-58.1-72.2000109.2P256 L263 W266 K294 L297 F305P256-F258 HydrophobicContact CB-CE1 4.11Å; P256-F258 HydrophobicContact CB-CE2 4.03Å; P256-F258 HydrophobicContact CB-CZ 3.75Å; P256-F258 HydrophobicContact CG-CE2 4.4Å; P256-F258 HydrophobicContact CG-CZ 4.06Å; P256-F258 WeakPolarHBondContact O-CD2 3.28Å; P256-F258 WeakPolarHBondContact O-CE2 3.44Å; P256-F258 PolarHBondContact O-N 3.45Å; F258-L263 HydrophobicContact CB-CD2 4.24Å; F258-L263 HydrophobicContact CB-CG 4.19Å; F258-W266 AromaticContact CD1-CH2 3.69Å; F258-W266 HydrophobicContact CD1-CH2 3.69Å; F258-W266 HydrophobicContact CD1-CZ3 4.11Å; F258-W266 AromaticContact CE1-CH2 3.78Å; F258-W266 HydrophobicContact CE1-CH2 3.78Å; F258-W266 HydrophobicContact CE1-CZ3 4.35Å; F258-W266 HydrophobicContact CG-CH2 4.26Å; F258-W266 HydrophobicContact CG-CZ3 4.21Å; F258-W266 HydrophobicContact CZ-CH2 4.39Å; F258-K294 HydrophobicContact CE2-CG 4.18Å; F258-L297 HydrophobicContact CE1-CD1 3.83Å; F258-L297 HydrophobicContact CE2-CD1 4.49Å; F258-L297 HydrophobicContact CZ-CB 4.01Å; F258-L297 HydrophobicContact CZ-CD1 3.61Å; F258-L297 HydrophobicContact CZ-CG 4.43Å; F258-F305 HydrophobicContact CD1-CE1 4.47Å; F258-F305 HydrophobicContact CE1-CD1 4.21Å; F258-F305 HydrophobicContact CE1-CE1 4.07Å; F258-F305 HydrophobicContact CE1-CZ 4.4Å
259S69.3Low70.6Confident66 Ų6674.9 Ų74.946%0.46240%0.399SS..  trans-61.4146.5173.671.30000110.2E261 V262 L263S259-E261 PolarHBondContact O-N 2.77Å; S259-E261 VanDerWaalsContact O-N 3.08Å; S259-V262 PolarHBondContact O-N 3.25Å; S259-V262 VanDerWaalsContact O-N 3.09Å; S259-V262 WeakPolarHBondContact OG-CG2 3.21Å; S259-L263 PolarHBondContact O-N 2.9Å
260Q70.5Confident71.3Confident176 Ų17673.9 Ų73.982%0.82240%0.397SS*.Hα-helixtrans-58.1-25.9-179.4-70-167.3-7.500112.5R264Q260-R264 WeakPolarHBondContact O-CB 3.38Å; Q260-R264 PolarHBondContact O-N 3.04Å
261E71.5Confident71.8Confident109 Ų10981 Ų8151%0.50943%0.427SS..Hα-helixtrans-71.2-39.4178-167.5168.7-165.200113S259 R264 K265S259-E261 PolarHBondContact O-N 2.77Å; S259-E261 VanDerWaalsContact O-N 3.08Å; E261-R264 WeakPolarHBondContact O-CB 3.46Å; E261-R264 PolarHBondContact O-N 3.03Å; E261-K265 WeakPolarHBondContact O-CG 3.23Å; E261-K265 PolarHBondContact O-N 3.43Å
262V76.7Confident72.1Confident48 Ų4885.9 Ų85.929%0.29145%0.448SS..Hα-helixtrans-65.2-42.4175.4172.60000110.5S259 R264 K265 W266S259-V262 PolarHBondContact O-N 3.25Å; S259-V262 VanDerWaalsContact O-N 3.09Å; S259-V262 WeakPolarHBondContact OG-CG2 3.21Å; V262-R264 VanDerWaalsContact C-N 3.31Å; V262-R264 PolarHBondContact O-N 3.29Å; V262-K265 PolarHBondContact O-N 2.87Å; V262-W266 HydrophobicContact CG1-CD2 3.92Å; V262-W266 VanDerWaalsContact CG1-CE2 3.48Å; V262-W266 HydrophobicContact CG1-CE3 4.14Å; V262-W266 HydrophobicContact CG1-CH2 3.57Å; V262-W266 HydrophobicContact CG1-CZ2 3.29Å; V262-W266 HydrophobicContact CG1-CZ3 3.99Å; V262-W266 PolarHBondContact O-N 3.08Å
263L75.6Confident72.4Confident56 Ų5688.2 Ų88.229%0.29346%0.462SS..Hα-helixtrans-62.7-38.4174.5-66.4176.2000112.2F258 S259 W266 K267 V290F258-L263 HydrophobicContact CB-CD2 4.24Å; F258-L263 HydrophobicContact CB-CG 4.19Å; S259-L263 PolarHBondContact O-N 2.9Å; L263-W266 HydrophobicContact CD2-CE3 4.02Å; L263-W266 HydrophobicContact CD2-CZ3 4.11Å; L263-K267 VanDerWaalsContact O-CB 3.28Å; L263-K267 WeakPolarHBondContact O-CB 3.47Å; L263-K267 PolarHBondContact O-N 3.45Å; L263-V290 HydrophobicContact CD2-CG1 4.17Å
264R78.3Confident73.1Confident153 Ų15396 Ų9658%0.57749%0.487SS*.Hα-helixtrans-64.5-42.2175.6-170.2178.369.3148.8-1.2111.3Q260 E261 V262 K267 N268Q260-R264 WeakPolarHBondContact O-CB 3.38Å; Q260-R264 PolarHBondContact O-N 3.04Å; E261-R264 WeakPolarHBondContact O-CB 3.46Å; E261-R264 PolarHBondContact O-N 3.03Å; V262-R264 VanDerWaalsContact C-N 3.31Å; V262-R264 PolarHBondContact O-N 3.29Å; R264-K267 PolarHBondContact O-N 3.12Å; R264-N268 VanDerWaalsContact O-CG 3.31Å; R264-N268 PolarHBondContact O-N 2.85Å
265K81Confident74.4Confident128 Ų12898.8 Ų98.856%0.55748%0.481SS*.Hα-helixtrans-61-51.7176-73.1178.1-177.9179.90111.4E261 V262 K267 N268 E269E261-K265 WeakPolarHBondContact O-CG 3.23Å; E261-K265 PolarHBondContact O-N 3.43Å; V262-K265 PolarHBondContact O-N 2.87Å; K265-K267 VanDerWaalsContact C-N 3.31Å; K265-K267 PolarHBondContact O-N 3.09Å; K265-N268 PolarHBondContact O-N 2.94Å; K265-N268 VanDerWaalsContact O-N 3.11Å; K265-E269 WeakPolarHBondContact O-CB 3.41Å; K265-E269 PolarHBondContact O-N 2.82Å
266W85.4Confident76Confident22 Ų2294 Ų948%0.08346%0.456CS..Hα-helixtrans-62.9-35.6177.1-62.2-25.3000113.1F258 V262 L263 N268 E269 V270 V276 P279 V290 L293 L297F258-W266 AromaticContact CD1-CH2 3.69Å; F258-W266 HydrophobicContact CD1-CH2 3.69Å; F258-W266 HydrophobicContact CD1-CZ3 4.11Å; F258-W266 AromaticContact CE1-CH2 3.78Å; F258-W266 HydrophobicContact CE1-CH2 3.78Å; F258-W266 HydrophobicContact CE1-CZ3 4.35Å; F258-W266 HydrophobicContact CG-CH2 4.26Å; F258-W266 HydrophobicContact CG-CZ3 4.21Å; F258-W266 HydrophobicContact CZ-CH2 4.39Å; V262-W266 HydrophobicContact CG1-CD2 3.92Å; V262-W266 VanDerWaalsContact CG1-CE2 3.48Å; V262-W266 HydrophobicContact CG1-CE3 4.14Å; V262-W266 HydrophobicContact CG1-CH2 3.57Å; V262-W266 HydrophobicContact CG1-CZ2 3.29Å; V262-W266 HydrophobicContact CG1-CZ3 3.99Å; V262-W266 PolarHBondContact O-N 3.08Å; L263-W266 HydrophobicContact CD2-CE3 4.02Å; L263-W266 HydrophobicContact CD2-CZ3 4.11Å; W266-N268 VanDerWaalsContact C-N 3.32Å; W266-N268 PolarHBondContact O-N 3.48Å; W266-E269 PolarHBondContact O-N 3.37Å; W266-V270 WeakPolarHBondContact O-CB 3.39Å; W266-V270 VanDerWaalsContact O-CG2 3.28Å; W266-V270 WeakPolarHBondContact O-CG2 3.39Å; W266-V270 PolarHBondContact O-N 3.26Å; W266-V276 HydrophobicContact CB-CG2 4.25Å; W266-V276 HydrophobicContact CG-CG2 4.12Å; W266-P279 HydrophobicContact CZ2-CG 4.01Å; W266-V290 HydrophobicContact CB-CG1 4.49Å; W266-V290 HydrophobicContact CB-CG2 4.14Å; W266-V290 HydrophobicContact CE3-CG1 4.35Å; W266-L293 HydrophobicContact CD2-CD2 3.71Å; W266-L293 HydrophobicContact CE3-CD2 3.94Å; W266-L293 HydrophobicContact CG-CD2 4.05Å; W266-L293 HydrophobicContact CZ2-CD2 4.33Å; W266-L293 HydrophobicContact CZ3-CD2 4.35Å; W266-L297 HydrophobicContact CH2-CD1 3.47Å; W266-L297 VanDerWaalsContact CH2-CD1 3.47Å; W266-L297 HydrophobicContact CZ2-CD1 4.19Å; W266-L297 HydrophobicContact CZ3-CD1 3.99Å
267K82.8Confident77.3Confident125 Ų12597.8 Ų97.854%0.54347%0.471SS..Hα-helixtrans-65.3-37.5175.4-168.5175.2-173.9177.50111.7L263 R264 K265 K271 V290L263-K267 VanDerWaalsContact O-CB 3.28Å; L263-K267 WeakPolarHBondContact O-CB 3.47Å; L263-K267 PolarHBondContact O-N 3.45Å; R264-K267 PolarHBondContact O-N 3.12Å; K265-K267 VanDerWaalsContact C-N 3.31Å; K265-K267 PolarHBondContact O-N 3.09Å; K267-K271 WeakPolarHBondContact O-CB 3.37Å; K267-K271 VanDerWaalsContact O-CG 3.26Å; K267-K271 WeakPolarHBondContact O-CG 3.22Å; K267-K271 PolarHBondContact O-N 3.14Å; K267-K271 VanDerWaalsContact O-N 3.07Å; K267-V290 HydrophobicContact CB-CG2 4.27Å
268N82.1Confident78.5Confident85 Ų8593.2 Ų93.246%0.45543%0.433SS..Hα-helixtrans-71.4-37.6174.9-71.6-12.6000111.7R264 K265 W266 K271 L272R264-N268 VanDerWaalsContact O-CG 3.31Å; R264-N268 PolarHBondContact O-N 2.85Å; K265-N268 PolarHBondContact O-N 2.94Å; K265-N268 VanDerWaalsContact O-N 3.11Å; W266-N268 VanDerWaalsContact C-N 3.32Å; W266-N268 PolarHBondContact O-N 3.48Å; N268-K271 WeakPolarHBondContact O-CB 3.16Å; N268-K271 PolarHBondContact O-N 3.31Å; N268-L272 WeakPolarHBondContact O-CB 3.48Å; N268-L272 PolarHBondContact O-N 2.86Å
269E82.4Confident79.2Confident74 Ų7495 Ų9535%0.34645%0.447SS..Hα-helixtrans-66.9-42.7176.6-163.5171.5176.200111.9K265 W266 K271 L272 Q273K265-E269 WeakPolarHBondContact O-CB 3.41Å; K265-E269 PolarHBondContact O-N 2.82Å; W266-E269 PolarHBondContact O-N 3.37Å; E269-K271 VanDerWaalsContact C-N 3.28Å; E269-K271 PolarHBondContact O-N 2.98Å; E269-L272 PolarHBondContact O-N 3.19Å; E269-Q273 HydrophobicContact CG-CG 4.45Å; E269-Q273 WeakPolarHBondContact O-CA 3.11Å; E269-Q273 WeakPolarHBondContact O-CB 3.45Å; E269-Q273 PolarHBondContact O-N 2.96Å
270V84.9Confident79.2Confident30 Ų3092.3 Ų92.318%0.18243%0.427CS..Hα-helixtrans-62.8-35.3170.6172.20000111.5W266 R274 V276 T288 V290W266-V270 WeakPolarHBondContact O-CB 3.39Å; W266-V270 VanDerWaalsContact O-CG2 3.28Å; W266-V270 WeakPolarHBondContact O-CG2 3.39Å; W266-V270 PolarHBondContact O-N 3.26Å; V270-R274 WeakPolarHBondContact O-CA 3.29Å; V270-R274 PolarHBondContact O-N 3.37Å; V270-R274 VanDerWaalsContact O-N 3.12Å; V270-V276 HydrophobicContact CG2-CB 3.91Å; V270-V276 HydrophobicContact CG2-CG1 3.75Å; V270-T288 WeakPolarHBondContact CG1-O 3.37Å; V270-V290 HydrophobicContact CG2-CG2 4Å
271K81.3Confident78.9Confident151 Ų15192.9 Ų92.966%0.65743%0.43SS*.Hα-helixtrans-69.5-40.5176.1-80.1175.8175.5-170.30112.8K267 N268 E269K267-K271 WeakPolarHBondContact O-CB 3.37Å; K267-K271 VanDerWaalsContact O-CG 3.26Å; K267-K271 WeakPolarHBondContact O-CG 3.22Å; K267-K271 PolarHBondContact O-N 3.14Å; K267-K271 VanDerWaalsContact O-N 3.07Å; N268-K271 WeakPolarHBondContact O-CB 3.16Å; N268-K271 PolarHBondContact O-N 3.31Å; E269-K271 VanDerWaalsContact C-N 3.28Å; E269-K271 PolarHBondContact O-N 2.98Å
272L80.7Confident78.6Confident143 Ų14390 Ų9075%0.74943%0.43SS*.Hα-helixtrans-86.5-46.5-173.6-172.365.1000112.2N268 E269N268-L272 WeakPolarHBondContact O-CB 3.48Å; N268-L272 PolarHBondContact O-N 2.86Å; E269-L272 PolarHBondContact O-N 3.19Å
273Q74.5Confident78.5Confident125 Ų12588.4 Ų88.458%0.58442%0.42SS*.Hα-helixtrans-101.4-5-173.2-61.1-64.4-25.600113E269 K275E269-Q273 HydrophobicContact CG-CG 4.45Å; E269-Q273 WeakPolarHBondContact O-CA 3.11Å; E269-Q273 WeakPolarHBondContact O-CB 3.45Å; E269-Q273 PolarHBondContact O-N 2.96Å; Q273-K275 PolarHBondContact O-N 3.47Å
274R79.8Confident78.6Confident200 Ų20092.8 Ų92.876%0.75544%0.444SS*.SBendtrans57.13-172.7-63.5-172.6174.1-164.6-0.2114.9V270 T288V270-R274 WeakPolarHBondContact O-CA 3.29Å; V270-R274 PolarHBondContact O-N 3.37Å; V270-R274 VanDerWaalsContact O-N 3.12Å; R274-T288 WeakPolarHBondContact O-CA 3.34Å
275K82.4Confident78.6Confident120 Ų12087.9 Ų87.952%0.52243%0.433SS..  trans-149.4142.4-170.1-66.9-174.5-173.5-176.10108.6Q273 T286 Y287Q273-K275 PolarHBondContact O-N 3.47Å; K275-T286 HydrophobicContact CB-CG2 3.64Å; K275-T286 HydrophobicContact CD-CG2 4.09Å; K275-T286 HydrophobicContact CG-CG2 4.16Å; K275-Y287 CarbonylContact C-O 3.47Å; K275-Y287 VanDerWaalsContact CA-O 3.25Å; K275-Y287 WeakPolarHBondContact CA-O 3.31Å
276V85Confident78.8Confident0 Ų084.7 Ų84.70%042%0.424CS..EExtended strand (participates in β ladder)trans-132134.6175.1640000108.8W266 V270 T286 Y287 L293W266-V276 HydrophobicContact CB-CG2 4.25Å; W266-V276 HydrophobicContact CG-CG2 4.12Å; V270-V276 HydrophobicContact CG2-CB 3.91Å; V270-V276 HydrophobicContact CG2-CG1 3.75Å; V276-T286 CarbonylContact O-C 3.48Å; V276-T286 WeakPolarHBondContact O-CA 3.39Å; V276-Y287 PolarHBondContact N-O 2.92Å; V276-Y287 PolarHBondContact O-N 2.85Å; V276-L293 HydrophobicContact CB-CD2 4.29Å; V276-L293 HydrophobicContact CG1-CB 3.97Å; V276-L293 HydrophobicContact CG1-CD2 3.67Å; V276-L293 HydrophobicContact CG1-CG 4.36Å; V276-L293 HydrophobicContact CG2-CD2 3.61Å
277H81.4Confident78.7Confident106 Ų10686.5 Ų86.549%0.49143%0.431SS..EExtended strand (participates in β ladder)trans-89.4155.1-179.9-63.785.3000110.9T286H277-T286 PolarHBondContact CD2-OG1 3.04Å; H277-T286 PolarHBondContact NE2-OG1 3.32Å
278C80.3Confident78.8Confident12 Ų1285.4 Ų85.48%0.08144%0.435CS..  trans-64.5128.7171.2-170.20000109.7N280 C283 C285 L293 H296C278-N280 PolarHBondContact O-N 3.39Å; C278-C283 HydrophobicContact CB-CB 3.93Å; C278-C285 PolarHBondContact N-O 3.29Å; C278-L293 HydrophobicContact CB-CD1 4.45Å; C278-H296 VanDerWaalsContact SG-CD2 3.53Å; C278-H296 PolarHBondContact SG-NE2 3.4Å
279P76.9Confident78.7Confident65 Ų6583.7 Ų83.742%0.42243%0.43SS..  trans-72.3-5.917730.8-38.6000113.8W266 L297W266-P279 HydrophobicContact CZ2-CG 4.01Å; P279-L297 HydrophobicContact CG-CD1 4.37Å; P279-L297 HydrophobicContact CG-CD2 3.96Å
280N69.4Low78.6Confident10 Ų1081.7 Ų81.75%0.05342%0.423CS..SBendtrans-81.3126.5-177.4-67.8-13000111C278 G282 C283 C300 F305C278-N280 PolarHBondContact O-N 3.39Å; N280-G282 PolarHBondContact O-N 2.95Å; N280-C283 HydrophobicContact CB-CB 4.14Å; N280-C283 PolarHBondContact O-N 3.44Å; N280-C300 WeakPolarHBondContact ND2-CB 3.31Å; N280-C300 PolarHBondContact ND2-SG 2.87Å; N280-F305 WeakPolarHBondContact OD1-CD2 2.88Å
281Q63.8Low78.2Confident189 Ų18984.8 Ų84.888%0.88345%0.445SS*.THydrogen-bonded Turntrans-62.3121178.3-63.4-166.143.500110.5K302Q281-K302 VanDerWaalsContact O-O 3.1Å
282G65.1Low78.1Confident49 Ų4978.6 Ų78.651%0.50542%0.424SS..THydrogen-bonded Turntrans946.7-175.700000115.2N280 K302N280-G282 PolarHBondContact O-N 2.95Å; G282-K302 WeakPolarHBondContact O-CD 3.37Å; G282-K302 PolarHBondContact O-NZ 2.75Å
283C75.9Confident78.1Confident13 Ų1371.8 Ų71.89%0.08839%0.389CS..  trans-113.3107.2171.3-171.40000112.5C278 N280 C285 H296 K302C278-C283 HydrophobicContact CB-CB 3.93Å; N280-C283 HydrophobicContact CB-CB 4.14Å; N280-C283 PolarHBondContact O-N 3.44Å; C283-C285 PolarHBondContact O-N 3.3Å; C283-H296 PolarHBondContact SG-CE1 3.21Å; C283-H296 PolarHBondContact SG-NE2 2.87Å; C283-K302 HydrophobicContact CB-CB 4.47Å; C283-K302 HydrophobicContact CB-CD 4.48Å
284D77.7Confident78.1Confident149 Ų14969.2 Ų69.280%0.79738%0.376SS*.  trans-88.321179.6-53-50.5000113.5T286D284-T286 PolarHBondContact O-N 3.14Å
285C77.9Confident77.7Confident49 Ų4962.6 Ų62.633%0.33136%0.364SS..  trans-76.5124.4-177.4-65.20000111.4C278 C283 Y287C278-C285 PolarHBondContact N-O 3.29Å; C283-C285 PolarHBondContact O-N 3.3Å; C285-Y287 HydrophobicContact CB-CE2 3.6Å
286T84.9Confident77.4Confident61 Ų6158.2 Ų58.237%0.37435%0.345SS..EExtended strand (participates in β ladder)trans-108.5136.8177-45.30000111.3K275 V276 H277 D284K275-T286 HydrophobicContact CB-CG2 3.64Å; K275-T286 HydrophobicContact CD-CG2 4.09Å; K275-T286 HydrophobicContact CG-CG2 4.16Å; V276-T286 CarbonylContact O-C 3.48Å; V276-T286 WeakPolarHBondContact O-CA 3.39Å; H277-T286 PolarHBondContact CD2-OG1 3.04Å; H277-T286 PolarHBondContact NE2-OG1 3.32Å; D284-T286 PolarHBondContact O-N 3.14Å
287Y84.6Confident76.8Confident61 Ų6158.2 Ų58.224%0.23935%0.345CS..EExtended strand (participates in β ladder)trans-125.3146.5-178.1-65.4-81.8000112K275 V276 C285 L293 H296K275-Y287 CarbonylContact C-O 3.47Å; K275-Y287 VanDerWaalsContact CA-O 3.25Å; K275-Y287 WeakPolarHBondContact CA-O 3.31Å; V276-Y287 PolarHBondContact N-O 2.92Å; V276-Y287 PolarHBondContact O-N 2.85Å; C285-Y287 HydrophobicContact CB-CE2 3.6Å; Y287-L293 HydrophobicContact CD2-CB 4.09Å; Y287-L293 HydrophobicContact CD2-CD1 3.9Å; Y287-L293 HydrophobicContact CE2-CD1 4.35Å; Y287-L293 HydrophobicContact CG-CB 4.25Å; Y287-H296 HydrophobicContact CD2-CB 4.48Å; Y287-H296 HydrophobicContact CE1-CB 4.13Å; Y287-H296 HydrophobicContact CE2-CB 3.56Å; Y287-H296 AromaticContact CE2-CD2 3.77Å; Y287-H296 AromaticContact CE2-CG 3.49Å; Y287-H296 VanDerWaalsContact CE2-CG 3.49Å; Y287-H296 AromaticContact CZ-CG 3.51Å; Y287-H296 AromaticContact CZ-ND1 3.78Å; Y287-H296 VanDerWaalsContact OH-CB 3.28Å; Y287-H296 WeakPolarHBondContact OH-CB 3.47Å; Y287-H296 PolarHBondContact OH-ND1 3.05Å
288T83.9Confident76.1Confident102 Ų10254.4 Ų54.463%0.62633%0.334SS*.SBendtrans-91.10.2176530000113.2V270 R274V270-T288 WeakPolarHBondContact CG1-O 3.37Å; R274-T288 WeakPolarHBondContact O-CA 3.34Å
289S80.1Confident75.3Confident49 Ų4959.9 Ų59.934%0.34336%0.362SS..SBendtrans-146.7146.7-179.367.70000112S291 G292 L293S289-S291 VanDerWaalsContact C-N 3.26Å; S289-S291 PolarHBondContact O-N 2.92Å; S289-G292 PolarHBondContact O-N 2.71Å; S289-G292 PolarHBondContact OG-N 3.47Å; S289-G292 VanDerWaalsContact OG-N 3.13Å; S289-L293 PolarHBondContact O-N 3.07Å; S289-L293 VanDerWaalsContact O-N 3.09Å
290V79.4Confident74.8Confident32 Ų3257.3 Ų57.319%0.19435%0.346CS..Hα-helixtrans-62.9-35.2176-178.50000111.1L263 W266 K267 V270 L293 K294L263-V290 HydrophobicContact CD2-CG1 4.17Å; W266-V290 HydrophobicContact CB-CG1 4.49Å; W266-V290 HydrophobicContact CB-CG2 4.14Å; W266-V290 HydrophobicContact CE3-CG1 4.35Å; K267-V290 HydrophobicContact CB-CG2 4.27Å; V270-V290 HydrophobicContact CG2-CG2 4Å; V290-L293 PolarHBondContact O-N 3.17Å; V290-K294 VanDerWaalsContact O-CB 3.27Å; V290-K294 WeakPolarHBondContact O-CB 3.25Å; V290-K294 PolarHBondContact O-N 3.23Å
291S77.6Confident74.5Confident94 Ų9463.4 Ų63.466%0.65738%0.383SS*.Hα-helixtrans-64.6-40175.4-54.20000112.3S289 K294 A295S289-S291 VanDerWaalsContact C-N 3.26Å; S289-S291 PolarHBondContact O-N 2.92Å; S291-K294 PolarHBondContact O-N 3.43Å; S291-A295 PolarHBondContact O-N 3.38Å
292G79.6Confident74.4Confident21 Ų2160.4 Ų60.422%0.21637%0.367CS..Hα-helixtrans-65.7-44.8176.500000112.5S289 K294 A295 H296S289-G292 PolarHBondContact O-N 2.71Å; S289-G292 PolarHBondContact OG-N 3.47Å; S289-G292 VanDerWaalsContact OG-N 3.13Å; G292-K294 PolarHBondContact O-N 3.15Å; G292-A295 PolarHBondContact O-N 3.33Å; G292-H296 PolarHBondContact O-N 3.37Å
293L79Confident74.1Confident0 Ų059.4 Ų59.40%036%0.357CS..Hα-helixtrans-61.5-42.9173.917661.5000111.6W266 V276 C278 Y287 S289 V290 A295 H296 L297W266-L293 HydrophobicContact CD2-CD2 3.71Å; W266-L293 HydrophobicContact CE3-CD2 3.94Å; W266-L293 HydrophobicContact CG-CD2 4.05Å; W266-L293 HydrophobicContact CZ2-CD2 4.33Å; W266-L293 HydrophobicContact CZ3-CD2 4.35Å; V276-L293 HydrophobicContact CB-CD2 4.29Å; V276-L293 HydrophobicContact CG1-CB 3.97Å; V276-L293 HydrophobicContact CG1-CD2 3.67Å; V276-L293 HydrophobicContact CG1-CG 4.36Å; V276-L293 HydrophobicContact CG2-CD2 3.61Å; C278-L293 HydrophobicContact CB-CD1 4.45Å; Y287-L293 HydrophobicContact CD2-CB 4.09Å; Y287-L293 HydrophobicContact CD2-CD1 3.9Å; Y287-L293 HydrophobicContact CE2-CD1 4.35Å; Y287-L293 HydrophobicContact CG-CB 4.25Å; S289-L293 PolarHBondContact O-N 3.07Å; S289-L293 VanDerWaalsContact O-N 3.09Å; V290-L293 PolarHBondContact O-N 3.17Å; L293-A295 VanDerWaalsContact C-N 3.35Å; L293-A295 PolarHBondContact O-N 3.42Å; L293-H296 WeakPolarHBondContact O-CB 3.46Å; L293-H296 PolarHBondContact O-N 3.38Å; L293-L297 HydrophobicContact CD1-CD1 4.22Å; L293-L297 HydrophobicContact CD1-CG 4.15Å; L293-L297 HydrophobicContact CG-CD1 4.06Å; L293-L297 HydrophobicContact CG-CG 4.43Å; L293-L297 WeakPolarHBondContact O-CG 3.28Å; L293-L297 PolarHBondContact O-N 3.32Å
294K74.6Confident72.7Confident72 Ų7268.2 Ų68.231%0.31340%0.397SS..Hα-helixtrans-62.3-40.1178.4-174.7175-177.6-1790112.6L255 F258 V290 S291 G292 G298L255-K294 HydrophobicContact CD2-CD 4.33Å; L255-K294 HydrophobicContact CD2-CG 3.88Å; F258-K294 HydrophobicContact CE2-CG 4.18Å; V290-K294 VanDerWaalsContact O-CB 3.27Å; V290-K294 WeakPolarHBondContact O-CB 3.25Å; V290-K294 PolarHBondContact O-N 3.23Å; S291-K294 PolarHBondContact O-N 3.43Å; G292-K294 PolarHBondContact O-N 3.15Å; K294-G298 PolarHBondContact O-N 2.76Å
295A72.9Confident71.6Confident61 Ų6165.1 Ų65.150%0.50438%0.376SS..Hα-helixtrans-66.8-40.1175.400000111.8S291 G292 L293 G298S291-A295 PolarHBondContact O-N 3.38Å; G292-A295 PolarHBondContact O-N 3.33Å; L293-A295 VanDerWaalsContact C-N 3.35Å; L293-A295 PolarHBondContact O-N 3.42Å; A295-G298 PolarHBondContact O-N 2.9Å
296H75.6Confident70.2Confident28 Ų2871.3 Ų71.313%0.1340%0.4CS..Hα-helixtrans-63.1-44.3175.2169.978.1000112.5C278 C283 Y287 G292 L293 G298 L299 C300C278-H296 VanDerWaalsContact SG-CD2 3.53Å; C278-H296 PolarHBondContact SG-NE2 3.4Å; C283-H296 PolarHBondContact SG-CE1 3.21Å; C283-H296 PolarHBondContact SG-NE2 2.87Å; Y287-H296 HydrophobicContact CD2-CB 4.48Å; Y287-H296 HydrophobicContact CE1-CB 4.13Å; Y287-H296 HydrophobicContact CE2-CB 3.56Å; Y287-H296 AromaticContact CE2-CD2 3.77Å; Y287-H296 AromaticContact CE2-CG 3.49Å; Y287-H296 VanDerWaalsContact CE2-CG 3.49Å; Y287-H296 AromaticContact CZ-CG 3.51Å; Y287-H296 AromaticContact CZ-ND1 3.78Å; Y287-H296 VanDerWaalsContact OH-CB 3.28Å; Y287-H296 WeakPolarHBondContact OH-CB 3.47Å; Y287-H296 PolarHBondContact OH-ND1 3.05Å; G292-H296 PolarHBondContact O-N 3.37Å; L293-H296 WeakPolarHBondContact O-CB 3.46Å; L293-H296 PolarHBondContact O-N 3.38Å; H296-G298 PolarHBondContact O-N 3.47Å; H296-L299 CarbonylContact O-C 3.56Å; H296-L299 PolarHBondContact O-N 3.41Å; H296-C300 PolarHBondContact NE2-SG 2.8Å; H296-C300 VanDerWaalsContact NE2-SG 3.42Å; H296-C300 WeakPolarHBondContact O-CB 3.46Å; H296-C300 PolarHBondContact O-N 3.47Å
297L71.6Confident68.8Low0 Ų070.6 Ų70.60%040%0.401CS..Hα-helixtrans-61.4-30.3179.9-74.6172.1000113.3F258 W266 P279 L293 L299F258-L297 HydrophobicContact CE1-CD1 3.83Å; F258-L297 HydrophobicContact CE2-CD1 4.49Å; F258-L297 HydrophobicContact CZ-CB 4.01Å; F258-L297 HydrophobicContact CZ-CD1 3.61Å; F258-L297 HydrophobicContact CZ-CG 4.43Å; W266-L297 HydrophobicContact CH2-CD1 3.47Å; W266-L297 VanDerWaalsContact CH2-CD1 3.47Å; W266-L297 HydrophobicContact CZ2-CD1 4.19Å; W266-L297 HydrophobicContact CZ3-CD1 3.99Å; P279-L297 HydrophobicContact CG-CD1 4.37Å; P279-L297 HydrophobicContact CG-CD2 3.96Å; L293-L297 HydrophobicContact CD1-CD1 4.22Å; L293-L297 HydrophobicContact CD1-CG 4.15Å; L293-L297 HydrophobicContact CG-CD1 4.06Å; L293-L297 HydrophobicContact CG-CG 4.43Å; L293-L297 WeakPolarHBondContact O-CG 3.28Å; L293-L297 PolarHBondContact O-N 3.32Å; L297-L299 PolarHBondContact O-N 3.36Å
298G67.4Low67.6Low25 Ų2569.1 Ų69.126%0.25840%0.404SS..THydrogen-bonded Turntrans-70.9-10.5173.300000114.8K294 A295 H296 A307K294-G298 PolarHBondContact O-N 2.76Å; A295-G298 PolarHBondContact O-N 2.9Å; H296-G298 PolarHBondContact O-N 3.47Å; G298-A307 VanDerWaalsContact O-CB 3.3Å; G298-A307 WeakPolarHBondContact O-CB 3.31Å
299L63.5Low67Low127 Ų12769.7 Ų69.767%0.66540%0.398SS*.THydrogen-bonded Turntrans-125.4-3.1-178.4-61.8173.9000112.6H296 L297 T301H296-L299 CarbonylContact O-C 3.56Å; H296-L299 PolarHBondContact O-N 3.41Å; L297-L299 PolarHBondContact O-N 3.36Å; L299-T301 PolarHBondContact O-N 3.13Å
300C67.1Low66.9Low12 Ų1269.1 Ų69.18%0.08139%0.389CS..  trans-78.2111.5-174.7-169.80000109.6N280 H296 K302N280-C300 WeakPolarHBondContact ND2-CB 3.31Å; N280-C300 PolarHBondContact ND2-SG 2.87Å; H296-C300 PolarHBondContact NE2-SG 2.8Å; H296-C300 VanDerWaalsContact NE2-SG 3.42Å; H296-C300 WeakPolarHBondContact O-CB 3.46Å; H296-C300 PolarHBondContact O-N 3.47Å; C300-K302 PolarHBondContact O-N 3.46Å
301T62.1Low66.8Low137 Ų13772.7 Ų72.784%0.8440%0.399SS*.THydrogen-bonded Turntrans-80-1.3-178.754.30000113.8L299L299-T301 PolarHBondContact O-N 3.13Å
302K62.7Low67.1Low127 Ų12768.2 Ų68.255%0.55237%0.368SS*.THydrogen-bonded Turntrans-106.515-169.2-60-170.1176.7-177.10114.3Q281 G282 C283 C300Q281-K302 VanDerWaalsContact O-O 3.1Å; G282-K302 WeakPolarHBondContact O-CD 3.37Å; G282-K302 PolarHBondContact O-NZ 2.75Å; C283-K302 HydrophobicContact CB-CB 4.47Å; C283-K302 HydrophobicContact CB-CD 4.48Å; C300-K302 PolarHBondContact O-N 3.46Å
303G57Low67.2Low28 Ų2871.9 Ų71.929%0.28938%0.382SS..SBendtrans-145.1165.6178.400000114.4F305G303-F305 PolarHBondContact O-N 3.18Å; G303-F305 VanDerWaalsContact O-N 3.09Å
304E48.3Very low67.2Low198 Ų19875.6 Ų75.693%0.92540%0.4SS*.SBendtrans-696.1-179.8-84.9-171.9149.800115E306E304-E306 PolarHBondContact O-N 3.42Å
305F53.4Low67.5Low83 Ų8374.4 Ų74.436%0.36440%0.401SS..SBendtrans-84.593166.4-65.6-79000107.3P256 F258 N280 G303 A307P256-F305 HydrophobicContact CB-CD1 4.19Å; P256-F305 HydrophobicContact CG-CB 4.5Å; F258-F305 HydrophobicContact CD1-CE1 4.47Å; F258-F305 HydrophobicContact CE1-CD1 4.21Å; F258-F305 HydrophobicContact CE1-CE1 4.07Å; F258-F305 HydrophobicContact CE1-CZ 4.4Å; N280-F305 WeakPolarHBondContact OD1-CD2 2.88Å; G303-F305 PolarHBondContact O-N 3.18Å; G303-F305 VanDerWaalsContact O-N 3.09Å; F305-A307 VanDerWaalsContact C-N 3.32Å; F305-A307 PolarHBondContact O-N 2.9Å
306E49.8Very low67.9Low179 Ų17976.2 Ų76.284%0.83640%0.402SS*.  trans-52.2101168-73.7-175.4156.100108.3E304 G308E304-E306 PolarHBondContact O-N 3.42Å; E306-G308 PolarHBondContact O-N 2.86Å
307A55.1Low68Low46 Ų4680.8 Ų80.838%0.3842%0.421SS..  trans-54.8108.6163.700000105.2G298 F305G298-A307 VanDerWaalsContact O-CB 3.3Å; G298-A307 WeakPolarHBondContact O-CB 3.31Å; F305-A307 VanDerWaalsContact C-N 3.32Å; F305-A307 PolarHBondContact O-N 2.9Å
308G59.6Low68.5Low31 Ų3184.9 Ų84.932%0.3244%0.441SS..PPolyproline II helixtrans-52.3157.6-17900000109.7P253 E306P253-G308 VanDerWaalsContact CB-C 3.42Å; P253-G308 WeakPolarHBondContact CB-O 3.26Å; P253-G308 WeakPolarHBondContact CG-O 3.49Å; E306-G308 PolarHBondContact O-N 2.86Å
309K71.2Confident69Low113 Ų11385.7 Ų85.749%0.49144%0.437SS..PPolyproline II helixtrans-90140.9-177.3-59.6173.5-168.5167.80110.2R311 E318 F319K309-R311 PolarHBondContact O-N 3.22Å; K309-E318 HydrophobicContact CB-CB 3.87Å; K309-E318 HydrophobicContact CB-CG 4.48Å; K309-E318 HydrophobicContact CD-CB 3.78Å; K309-E318 HydrophobicContact CD-CG 4.47Å; K309-E318 WeakPolarHBondContact CD-OE2 3.2Å; K309-E318 HydrophobicContact CG-CB 4.49Å; K309-E318 IonicContact NZ-OE2 3.43Å; K309-E318 PolarHBondContact NZ-OE2 2.85Å; K309-F319 CarbonylContact C-O 3.45Å; K309-F319 WeakPolarHBondContact CA-O 3.14Å
310Y77.5Confident69.4Low37 Ų3786.6 Ų86.615%0.14544%0.443CS..EExtended strand (participates in β ladder)trans-66.3124.8169.5-65.9-97.1000108.5Y250 A251 R252 P253 E318 F319 E322 V325Y250-Y310 HydrophobicContact CD2-CD1 4.11Å; Y250-Y310 HydrophobicContact CE2-CD1 4.07Å; A251-Y310 WeakPolarHBondContact O-CA 3.36Å; R252-Y310 HydrophobicContact CB-CE1 4.47Å; R252-Y310 HydrophobicContact CG-CD1 4.21Å; R252-Y310 HydrophobicContact CG-CE1 4Å; P253-Y310 HydrophobicContact CG-CD1 4.36Å; P253-Y310 HydrophobicContact CG-CD2 3.88Å; P253-Y310 HydrophobicContact CG-CE1 4.43Å; P253-Y310 HydrophobicContact CG-CE2 3.95Å; P253-Y310 HydrophobicContact CG-CG 4.09Å; Y310-E318 CarbonylContact O-C 3.6Å; Y310-E318 WeakPolarHBondContact O-CA 3.42Å; Y310-F319 PolarHBondContact N-O 2.85Å; Y310-F319 PolarHBondContact O-N 2.87Å; Y310-E322 HydrophobicContact CD1-CB 4.06Å; Y310-E322 HydrophobicContact CD1-CG 4.18Å; Y310-E322 HydrophobicContact CE1-CB 3.44Å; Y310-E322 VanDerWaalsContact CE1-CB 3.44Å; Y310-E322 HydrophobicContact CE1-CG 3.67Å; Y310-E322 HydrophobicContact CE2-CB 4.29Å; Y310-E322 VanDerWaalsContact CE2-N 3.28Å; Y310-V325 HydrophobicContact CD1-CG1 4.18Å; Y310-V325 HydrophobicContact CG-CG1 4.22Å
311R78.3Confident69.6Low108 Ų10888.6 Ų88.641%0.40846%0.457SS..EExtended strand (participates in β ladder)trans-111.1125.3-177.1-176-179.8-68.3-164-2.3110.7Y250 A251 K309 L313 N316 K317 E318Y250-R311 CarbonylContact C-O 3.49Å; Y250-R311 WeakPolarHBondContact CA-O 3.46Å; Y250-R311 VanDerWaalsContact CB-O 3.3Å; Y250-R311 WeakPolarHBondContact CB-O 3.32Å; A251-R311 HydrophobicContact CB-CB 4.33Å; A251-R311 PolarHBondContact N-O 2.89Å; A251-R311 PolarHBondContact O-N 3.36Å; K309-R311 PolarHBondContact O-N 3.22Å; R311-L313 PolarHBondContact O-N 2.58Å; R311-N316 HydrophobicContact CG-CB 4.46Å; R311-K317 WeakPolarHBondContact CA-O 3.39Å; R311-E318 IonicContact CZ-OE1 3.61Å; R311-E318 IonicContact NE-OE1 3.22Å; R311-E318 IonicContact NH2-OE1 2.72Å; R311-E318 PolarHBondContact NH2-OE1 2.89Å
312C83.3Confident70.3Confident0 Ų084.6 Ų84.60%043%0.429CS..EExtended strand (participates in β ladder)trans-65.6125.8171-177.70000110I314 N316 K317 F319 V325C312-I314 PolarHBondContact O-N 3.17Å; C312-I314 PolarHBondContact SG-N 2.86Å; C312-I314 VanDerWaalsContact SG-N 3.44Å; C312-N316 WeakPolarHBondContact O-CA 3.35Å; C312-N316 PolarHBondContact O-N 2.69Å; C312-K317 PolarHBondContact N-O 3.39Å; C312-F319 HydrophobicContact CB-CE2 4.32Å; C312-V325 HydrophobicContact CB-CG2 4.09Å
313L82Confident70.8Confident98 Ų9882.9 Ų82.951%0.51343%0.433SS..THydrogen-bonded Turntrans-79.8-4179.1-65.4172.6000113.1K249 A251 R311K249-L313 WeakPolarHBondContact O-CB 3.23Å; K249-L313 PolarHBondContact O-N 3.1Å; A251-L313 HydrophobicContact CB-CD2 4.09Å; R311-L313 PolarHBondContact O-N 2.58Å
314I79.3Confident72Confident77 Ų7782.5 Ų82.540%0.39543%0.428SS..THydrogen-bonded Turntrans-91.9-40179.1-51.9172.5000110.6K249 C312 I329 H333K249-I314 HydrophobicContact CB-CD1 4.24Å; K249-I314 HydrophobicContact CB-CG1 4.42Å; K249-I314 HydrophobicContact CD-CD1 3.95Å; C312-I314 PolarHBondContact O-N 3.17Å; C312-I314 PolarHBondContact SG-N 2.86Å; C312-I314 VanDerWaalsContact SG-N 3.44Å; I314-I329 HydrophobicContact CD1-CG2 4.08Å; I314-H333 HydrophobicContact CD1-CB 3.84Å; I314-H333 VanDerWaalsContact CG2-CE1 3.49Å; I314-H333 WeakPolarHBondContact CG2-CE1 3.29Å
315C80.6Confident73.6Confident47 Ų4773 Ų7332%0.31838%0.384SS..THydrogen-bonded Turntrans-130.46-177.771.40000115.1K317 H328 H333C315-K317 PolarHBondContact O-N 3.32Å; C315-H328 VanDerWaalsContact SG-CE1 3.6Å; C315-H328 PolarHBondContact SG-NE2 3.28Å; C315-H333 PolarHBondContact SG-NE2 3.16Å; C315-H333 VanDerWaalsContact SG-NE2 3.37Å
316N79.8Confident75Confident100 Ų10071.4 Ų71.454%0.53538%0.377SS..  trans57.213.8-179.2-68.1-40.5000116.2R311 C312R311-N316 HydrophobicContact CG-CB 4.46Å; C312-N316 WeakPolarHBondContact O-CA 3.35Å; C312-N316 PolarHBondContact O-N 2.69Å
317K79.1Confident76.6Confident123 Ų12370.9 Ų70.954%0.53537%0.369SS..  trans-65.8138.5172.1-76.4179.2-175.9-76.30111.3R311 C312 C315 F319R311-K317 WeakPolarHBondContact CA-O 3.39Å; C312-K317 PolarHBondContact N-O 3.39Å; C315-K317 PolarHBondContact O-N 3.32Å; K317-F319 HydrophobicContact CB-CE2 3.65Å; K317-F319 HydrophobicContact CB-CZ 3.88Å; K317-F319 WeakPolarHBondContact O-CD2 3.42Å; K317-F319 WeakPolarHBondContact O-CE2 3.36Å
318E81.5Confident78Confident86 Ų8669.3 Ų69.340%0.40235%0.353SS..EExtended strand (participates in β ladder)trans-98.5139.3-178-58.6-169.5141.100111.2K309 Y310 R311K309-E318 HydrophobicContact CB-CB 3.87Å; K309-E318 HydrophobicContact CB-CG 4.48Å; K309-E318 HydrophobicContact CD-CB 3.78Å; K309-E318 HydrophobicContact CD-CG 4.47Å; K309-E318 WeakPolarHBondContact CD-OE2 3.2Å; K309-E318 HydrophobicContact CG-CB 4.49Å; K309-E318 IonicContact NZ-OE2 3.43Å; K309-E318 PolarHBondContact NZ-OE2 2.85Å; Y310-E318 CarbonylContact O-C 3.6Å; Y310-E318 WeakPolarHBondContact O-CA 3.42Å; R311-E318 IonicContact CZ-OE1 3.61Å; R311-E318 IonicContact NE-OE1 3.22Å; R311-E318 IonicContact NH2-OE1 2.72Å; R311-E318 PolarHBondContact NH2-OE1 2.89Å
319F77.8Confident79.1Confident42 Ų4267.9 Ų67.918%0.18434%0.338CS..EExtended strand (participates in β ladder)trans-135.3145.9-177.1-61.4-87.7000110.6K309 Y310 C312 K317 S321 V325 H328K309-F319 CarbonylContact C-O 3.45Å; K309-F319 WeakPolarHBondContact CA-O 3.14Å; Y310-F319 PolarHBondContact N-O 2.85Å; Y310-F319 PolarHBondContact O-N 2.87Å; C312-F319 HydrophobicContact CB-CE2 4.32Å; K317-F319 HydrophobicContact CB-CE2 3.65Å; K317-F319 HydrophobicContact CB-CZ 3.88Å; K317-F319 WeakPolarHBondContact O-CD2 3.42Å; K317-F319 WeakPolarHBondContact O-CE2 3.36Å; F319-S321 VanDerWaalsContact C-N 3.27Å; F319-S321 PolarHBondContact O-N 2.87Å; F319-V325 HydrophobicContact CB-CB 4.13Å; F319-V325 HydrophobicContact CD2-CB 3.65Å; F319-V325 HydrophobicContact CD2-CG2 3.69Å; F319-V325 HydrophobicContact CE2-CB 4.36Å; F319-V325 HydrophobicContact CE2-CG2 4.08Å; F319-V325 HydrophobicContact CG-CB 3.99Å; F319-H328 HydrophobicContact CE1-CB 3.75Å; F319-H328 AromaticContact CE1-CG 3.99Å; F319-H328 HydrophobicContact CE2-CB 3.96Å; F319-H328 AromaticContact CE2-CD2 3.49Å; F319-H328 VanDerWaalsContact CE2-CD2 3.49Å; F319-H328 WeakPolarHBondContact CE2-CD2 3.29Å; F319-H328 AromaticContact CE2-CG 3.66Å; F319-H328 HydrophobicContact CZ-CB 3.37Å; F319-H328 AromaticContact CZ-CD2 3.48Å; F319-H328 VanDerWaalsContact CZ-CD2 3.48Å; F319-H328 WeakPolarHBondContact CZ-CD2 3.42Å; F319-H328 AromaticContact CZ-CG 3.14Å; F319-H328 AromaticContact CZ-ND1 3.58Å
320N71.5Confident79.7Confident146 Ų14667 Ų6778%0.78134%0.339SS*.SBendtrans-88.7-0.6-176.3-44.719.8000111.2
321S72.7Confident79.9Confident55 Ų5567.7 Ų67.739%0.38535%0.349SS..SBendtrans-146.4146.5-178.667.80000112.7F319 S323 G324 V325F319-S321 VanDerWaalsContact C-N 3.27Å; F319-S321 PolarHBondContact O-N 2.87Å; S321-S323 VanDerWaalsContact C-N 3.29Å; S321-S323 PolarHBondContact O-N 2.92Å; S321-G324 PolarHBondContact O-N 3.3Å; S321-G324 PolarHBondContact OG-N 3.1Å; S321-G324 VanDerWaalsContact OG-N 3.08Å; S321-V325 PolarHBondContact O-N 3.15Å
322E75.3Confident80.2Confident53 Ų5366.7 Ų66.725%0.24836%0.355CS..Hα-helixtrans-61.6-39.9176-164.1-177.6160.200111.3Y250 R252 Y310 G324 V325 K326Y250-E322 HydrophobicContact CE2-CG 3.99Å; Y250-E322 PolarHBondContact OH-OE1 3Å; R252-E322 IonicContact NH2-OE1 2.75Å; Y310-E322 HydrophobicContact CD1-CB 4.06Å; Y310-E322 HydrophobicContact CD1-CG 4.18Å; Y310-E322 HydrophobicContact CE1-CB 3.44Å; Y310-E322 VanDerWaalsContact CE1-CB 3.44Å; Y310-E322 HydrophobicContact CE1-CG 3.67Å; Y310-E322 HydrophobicContact CE2-CB 4.29Å; Y310-E322 VanDerWaalsContact CE2-N 3.28Å; E322-G324 VanDerWaalsContact C-N 3.31Å; E322-G324 PolarHBondContact O-N 2.78Å; E322-V325 WeakPolarHBondContact O-CG1 3.34Å; E322-V325 PolarHBondContact O-N 2.86Å; E322-K326 HydrophobicContact CG-CD 4.39Å; E322-K326 WeakPolarHBondContact O-CB 3.27Å; E322-K326 VanDerWaalsContact O-CG 3.29Å; E322-K326 WeakPolarHBondContact O-CG 3.26Å; E322-K326 PolarHBondContact O-N 3.21Å; E322-K326 WeakPolarHBondContact OE1-CE 2.99Å; E322-K326 IonicContact OE1-NZ 2.77Å; E322-K326 PolarHBondContact OE1-NZ 2.88Å
323S73.6Confident80Confident91 Ų9169 Ų6964%0.63637%0.366SS*.Hα-helixtrans-64.1-36.9176.6-56.90000111.8S321 K326 Y327S321-S323 VanDerWaalsContact C-N 3.29Å; S321-S323 PolarHBondContact O-N 2.92Å; S323-K326 PolarHBondContact O-N 3.24Å; S323-Y327 WeakPolarHBondContact O-CB 3.11Å; S323-Y327 PolarHBondContact O-N 3.41Å
324G82.2Confident79.8Confident19 Ų1969.2 Ų69.220%0.19638%0.375CS..Hα-helixtrans-63.9-46.2177.800000112.5S321 E322 Y327 H328S321-G324 PolarHBondContact O-N 3.3Å; S321-G324 PolarHBondContact OG-N 3.1Å; S321-G324 VanDerWaalsContact OG-N 3.08Å; E322-G324 VanDerWaalsContact C-N 3.31Å; E322-G324 PolarHBondContact O-N 2.78Å; G324-Y327 PolarHBondContact O-N 3.2Å; G324-H328 VanDerWaalsContact O-CB 3.28Å; G324-H328 WeakPolarHBondContact O-CB 3.27Å; G324-H328 PolarHBondContact O-N 2.97Å
325V81.3Confident79.4Confident0 Ų069.6 Ų69.60%038%0.375CS..Hα-helixtrans-69.2-35.1177.470.40000112.3Y250 Y310 C312 F319 S321 E322 H328 I329Y250-V325 VanDerWaalsContact CB-CG2 3.47Å; Y250-V325 HydrophobicContact CD1-CG1 4.08Å; Y250-V325 HydrophobicContact CD2-CG1 3.59Å; Y250-V325 HydrophobicContact CE1-CG1 4.45Å; Y250-V325 HydrophobicContact CE2-CG1 4.02Å; Y250-V325 HydrophobicContact CG-CB 4.48Å; Y250-V325 HydrophobicContact CG-CG1 3.64Å; Y250-V325 HydrophobicContact CG-CG2 3.99Å; Y310-V325 HydrophobicContact CD1-CG1 4.18Å; Y310-V325 HydrophobicContact CG-CG1 4.22Å; C312-V325 HydrophobicContact CB-CG2 4.09Å; F319-V325 HydrophobicContact CB-CB 4.13Å; F319-V325 HydrophobicContact CD2-CB 3.65Å; F319-V325 HydrophobicContact CD2-CG2 3.69Å; F319-V325 HydrophobicContact CE2-CB 4.36Å; F319-V325 HydrophobicContact CE2-CG2 4.08Å; F319-V325 HydrophobicContact CG-CB 3.99Å; S321-V325 PolarHBondContact O-N 3.15Å; E322-V325 WeakPolarHBondContact O-CG1 3.34Å; E322-V325 PolarHBondContact O-N 2.86Å; V325-H328 PolarHBondContact O-N 3.46Å; V325-I329 HydrophobicContact CG2-CD1 4.04Å; V325-I329 WeakPolarHBondContact O-CD1 3.35Å; V325-I329 VanDerWaalsContact O-CG1 3.28Å; V325-I329 WeakPolarHBondContact O-CG1 3.48Å; V325-I329 PolarHBondContact O-N 3.13Å
326K83.3Confident79.2Confident48 Ų4871 Ų7121%0.20938%0.379CS..Hα-helixtrans-64.5-46.5174.5-75.5175-178.3168.70111.9Y250 E322 S323 H328 I329 N330 W337Y250-K326 HydrophobicContact CE1-CG 4Å; Y250-K326 WeakPolarHBondContact OH-CE 3.26Å; E322-K326 HydrophobicContact CG-CD 4.39Å; E322-K326 WeakPolarHBondContact O-CB 3.27Å; E322-K326 VanDerWaalsContact O-CG 3.29Å; E322-K326 WeakPolarHBondContact O-CG 3.26Å; E322-K326 PolarHBondContact O-N 3.21Å; E322-K326 WeakPolarHBondContact OE1-CE 2.99Å; E322-K326 IonicContact OE1-NZ 2.77Å; E322-K326 PolarHBondContact OE1-NZ 2.88Å; S323-K326 PolarHBondContact O-N 3.24Å; K326-H328 VanDerWaalsContact C-N 3.34Å; K326-I329 PolarHBondContact O-N 3.4Å; K326-N330 WeakPolarHBondContact O-CB 3.34Å; K326-N330 PolarHBondContact O-N 3.26Å; K326-W337 HydrophobicContact CB-CG 4.4Å; K326-W337 HydrophobicContact CD-CD2 4.09Å; K326-W337 HydrophobicContact CD-CE3 4.47Å; K326-W337 HydrophobicContact CD-CH2 4.39Å; K326-W337 HydrophobicContact CD-CZ2 4.05Å; K326-W337 VanDerWaalsContact CE-CH2 3.49Å; K326-W337 HydrophobicContact CG-CB 4.36Å; K326-W337 HydrophobicContact CG-CD2 3.86Å; K326-W337 HydrophobicContact CG-CE3 4.33Å; K326-W337 HydrophobicContact CG-CG 3.9Å
327Y83.8Confident78.5Confident169 Ų16969.7 Ų69.766%0.66337%0.367SS*.Hα-helixtrans-59.2-48.5174.6175.7-99.2000110.3S323 G324 I329 N330 S331S323-Y327 WeakPolarHBondContact O-CB 3.11Å; S323-Y327 PolarHBondContact O-N 3.41Å; G324-Y327 PolarHBondContact O-N 3.2Å; Y327-I329 PolarHBondContact O-N 2.85Å; Y327-N330 CarbonylContact O-C 3.49Å; Y327-N330 PolarHBondContact O-N 2.96Å; Y327-N330 VanDerWaalsContact O-N 3.12Å; Y327-S331 WeakPolarHBondContact O-CB 3.48Å; Y327-S331 PolarHBondContact O-N 3.18Å; Y327-S331 PolarHBondContact O-OG 3.4Å
328H84.1Confident78Confident13 Ų1367.9 Ų67.96%0.0636%0.359CS..Hα-helixtrans-57-44.3178167.271.7000113.1C315 F319 G324 V325 K326 N330 S331 V332 H333C315-H328 VanDerWaalsContact SG-CE1 3.6Å; C315-H328 PolarHBondContact SG-NE2 3.28Å; F319-H328 HydrophobicContact CE1-CB 3.75Å; F319-H328 AromaticContact CE1-CG 3.99Å; F319-H328 HydrophobicContact CE2-CB 3.96Å; F319-H328 AromaticContact CE2-CD2 3.49Å; F319-H328 VanDerWaalsContact CE2-CD2 3.49Å; F319-H328 WeakPolarHBondContact CE2-CD2 3.29Å; F319-H328 AromaticContact CE2-CG 3.66Å; F319-H328 HydrophobicContact CZ-CB 3.37Å; F319-H328 AromaticContact CZ-CD2 3.48Å; F319-H328 VanDerWaalsContact CZ-CD2 3.48Å; F319-H328 WeakPolarHBondContact CZ-CD2 3.42Å; F319-H328 AromaticContact CZ-CG 3.14Å; F319-H328 AromaticContact CZ-ND1 3.58Å; G324-H328 VanDerWaalsContact O-CB 3.28Å; G324-H328 WeakPolarHBondContact O-CB 3.27Å; G324-H328 PolarHBondContact O-N 2.97Å; V325-H328 PolarHBondContact O-N 3.46Å; K326-H328 VanDerWaalsContact C-N 3.34Å; H328-N330 VanDerWaalsContact C-N 3.32Å; H328-N330 PolarHBondContact O-N 3.34Å; H328-S331 PolarHBondContact O-N 2.84Å; H328-V332 VanDerWaalsContact ND1-CG2 3.34Å; H328-V332 WeakPolarHBondContact ND1-CG2 3.5Å; H328-V332 WeakPolarHBondContact O-CA 3.41Å; H328-V332 VanDerWaalsContact O-CB 3.25Å; H328-V332 WeakPolarHBondContact O-CB 3.19Å; H328-V332 PolarHBondContact O-N 2.96Å; H328-H333 AromaticContact CE1-NE2 3.91Å; H328-H333 AromaticContact NE2-CD2 3.74Å; H328-H333 AromaticContact NE2-NE2 3.36Å; H328-H333 PolarHBondContact NE2-NE2 3.32Å
329I83.4Confident77.1Confident0 Ų067.6 Ų67.60%036%0.363CS..Hα-helixtrans-65-39.1177.3-68.1162.5000111.2K249 Y250 I314 V325 K326 Y327 H333 S334 Q335 W337K249-I329 HydrophobicContact CB-CD1 4.2Å; Y250-I329 HydrophobicContact CD1-CD1 3.69Å; Y250-I329 HydrophobicContact CG-CD1 4.23Å; I314-I329 HydrophobicContact CD1-CG2 4.08Å; V325-I329 HydrophobicContact CG2-CD1 4.04Å; V325-I329 WeakPolarHBondContact O-CD1 3.35Å; V325-I329 VanDerWaalsContact O-CG1 3.28Å; V325-I329 WeakPolarHBondContact O-CG1 3.48Å; V325-I329 PolarHBondContact O-N 3.13Å; K326-I329 PolarHBondContact O-N 3.4Å; Y327-I329 PolarHBondContact O-N 2.85Å; I329-H333 CarbonylContact O-C 3.54Å; I329-H333 WeakPolarHBondContact O-CA 3.5Å; I329-H333 VanDerWaalsContact O-CB 3.31Å; I329-H333 WeakPolarHBondContact O-CB 3.44Å; I329-H333 PolarHBondContact O-N 3.37Å; I329-S334 PolarHBondContact O-N 3.46Å; I329-Q335 HydrophobicContact CG2-CB 4.5Å; I329-Q335 WeakPolarHBondContact CG2-O 3.34Å; I329-Q335 PolarHBondContact O-N 3.32Å; I329-W337 HydrophobicContact CB-CB 4.24Å; I329-W337 HydrophobicContact CD1-CB 4.08Å; I329-W337 HydrophobicContact CG2-CB 4.06Å
330N83.6Confident75.9Confident96 Ų9668.4 Ų68.451%0.51337%0.372SS..Hα-helixtrans-73.5-35.3179.1-164.659.2000112.9K326 Y327 H328 S334K326-N330 WeakPolarHBondContact O-CB 3.34Å; K326-N330 PolarHBondContact O-N 3.26Å; Y327-N330 CarbonylContact O-C 3.49Å; Y327-N330 PolarHBondContact O-N 2.96Å; Y327-N330 VanDerWaalsContact O-N 3.12Å; H328-N330 VanDerWaalsContact C-N 3.32Å; H328-N330 PolarHBondContact O-N 3.34Å; N330-S334 WeakPolarHBondContact O-CA 3.34Å; N330-S334 PolarHBondContact O-N 3.15Å
331S81.3Confident75.1Confident51 Ų5165.9 Ų65.936%0.35736%0.359SS..Hα-helixtrans-90.9-39.2-174.863.60000113.7Y327 H328Y327-S331 WeakPolarHBondContact O-CB 3.48Å; Y327-S331 PolarHBondContact O-N 3.18Å; Y327-S331 PolarHBondContact O-OG 3.4Å; H328-S331 PolarHBondContact O-N 2.84Å
332V83.9Confident74.1Confident86 Ų8671 Ų7152%0.52137%0.374SS..Hα-helixtrans-94.4-33.8-176.7-178.10000111.9H328H328-V332 VanDerWaalsContact ND1-CG2 3.34Å; H328-V332 WeakPolarHBondContact ND1-CG2 3.5Å; H328-V332 WeakPolarHBondContact O-CA 3.41Å; H328-V332 VanDerWaalsContact O-CB 3.25Å; H328-V332 WeakPolarHBondContact O-CB 3.19Å; H328-V332 PolarHBondContact O-N 2.96Å
333H80.2Confident72.8Confident49 Ų4976.8 Ų76.823%0.22740%0.398CS..SBendtrans-103.3-3.8179.9-60.3-56.3000113.6I314 C315 H328 I329 Q335I314-H333 HydrophobicContact CD1-CB 3.84Å; I314-H333 VanDerWaalsContact CG2-CE1 3.49Å; I314-H333 WeakPolarHBondContact CG2-CE1 3.29Å; C315-H333 PolarHBondContact SG-NE2 3.16Å; C315-H333 VanDerWaalsContact SG-NE2 3.37Å; H328-H333 AromaticContact CE1-NE2 3.91Å; H328-H333 AromaticContact NE2-CD2 3.74Å; H328-H333 AromaticContact NE2-NE2 3.36Å; H328-H333 PolarHBondContact NE2-NE2 3.32Å; I329-H333 CarbonylContact O-C 3.54Å; I329-H333 WeakPolarHBondContact O-CA 3.5Å; I329-H333 VanDerWaalsContact O-CB 3.31Å; I329-H333 WeakPolarHBondContact O-CB 3.44Å; I329-H333 PolarHBondContact O-N 3.37Å; H333-Q335 HydrophobicContact CB-CB 4.25Å; H333-Q335 WeakPolarHBondContact O-CB 3.19Å; H333-Q335 PolarHBondContact O-N 3.05Å
334S76.9Confident71.6Confident102 Ų10275.2 Ų75.271%0.71339%0.391SS*.  trans46.334.7-178-56.80000113.3I329 N330I329-S334 PolarHBondContact O-N 3.46Å; N330-S334 WeakPolarHBondContact O-CA 3.34Å; N330-S334 PolarHBondContact O-N 3.15Å
335Q72.6Confident70.2Confident86 Ų8677.1 Ų77.140%0.40240%0.401SS..SBendtrans-130.6148.5-168.2-171.667.627.400110K249 I329 H333 W337K249-Q335 HydrophobicContact CD-CG 3.96Å; I329-Q335 HydrophobicContact CG2-CB 4.5Å; I329-Q335 WeakPolarHBondContact CG2-O 3.34Å; I329-Q335 PolarHBondContact O-N 3.32Å; H333-Q335 HydrophobicContact CB-CB 4.25Å; H333-Q335 WeakPolarHBondContact O-CB 3.19Å; H333-Q335 PolarHBondContact O-N 3.05Å; Q335-W337 PolarHBondContact O-N 3.13Å
336D74.9Confident68.8Low75 Ų7584.2 Ų84.240%0.40143%0.432SS..  trans-63.1130.8169.9-70.9-58.1000111K249 F338K249-D336 VanDerWaalsContact CD-O 3.3Å; K249-D336 WeakPolarHBondContact CD-O 3.33Å; K249-D336 VanDerWaalsContact CE-O 3.25Å; K249-D336 WeakPolarHBondContact CE-O 3.29Å; D336-F338 HydrophobicContact CB-CD1 3.92Å; D336-F338 HydrophobicContact CB-CE1 3.82Å; D336-F338 PolarHBondContact O-N 3.26Å
337W65.7Low67.2Low73 Ų7389.9 Ų89.928%0.27746%0.457SS..SBendtrans-68.9-8.3176.162-92.9000113.3L248 K249 Y250 K326 I329 Q335L248-W337 HydrophobicContact CD2-CE3 3.67Å; L248-W337 HydrophobicContact CD2-CZ3 3.49Å; L248-W337 VanDerWaalsContact CD2-CZ3 3.49Å; K249-W337 PolarHBondContact N-O 2.81Å; Y250-W337 HydrophobicContact CD1-CB 4.4Å; Y250-W337 HydrophobicContact CE1-CB 4.27Å; Y250-W337 HydrophobicContact CE1-CD2 4.23Å; Y250-W337 AromaticContact CE1-CE3 3.54Å; Y250-W337 HydrophobicContact CE1-CE3 3.54Å; Y250-W337 HydrophobicContact CE1-CZ3 4.19Å; K326-W337 HydrophobicContact CB-CG 4.4Å; K326-W337 HydrophobicContact CD-CD2 4.09Å; K326-W337 HydrophobicContact CD-CE3 4.47Å; K326-W337 HydrophobicContact CD-CH2 4.39Å; K326-W337 HydrophobicContact CD-CZ2 4.05Å; K326-W337 VanDerWaalsContact CE-CH2 3.49Å; K326-W337 HydrophobicContact CG-CB 4.36Å; K326-W337 HydrophobicContact CG-CD2 3.86Å; K326-W337 HydrophobicContact CG-CE3 4.33Å; K326-W337 HydrophobicContact CG-CG 3.9Å; I329-W337 HydrophobicContact CB-CB 4.24Å; I329-W337 HydrophobicContact CD1-CB 4.08Å; I329-W337 HydrophobicContact CG2-CB 4.06Å; Q335-W337 PolarHBondContact O-N 3.13Å
338F68.5Low65.5Low85 Ų8588.1 Ų88.137%0.37345%0.453SS..BIsolated β-bridgetrans-121.2139.4177.666.9-72.5000110.7D336 T340D336-F338 HydrophobicContact CB-CD1 3.92Å; D336-F338 HydrophobicContact CB-CE1 3.82Å; D336-F338 PolarHBondContact O-N 3.26Å; F338-T340 HydrophobicContact CD2-CG2 3.61Å; F338-T340 HydrophobicContact CE2-CG2 3.06Å; F338-T340 HydrophobicContact CZ-CG2 3.78Å; F338-T340 PolarHBondContact O-N 3.27Å
339V62Low63.9Low80 Ų8093.8 Ų93.849%0.48548%0.479SS..  trans-81.399174.9-1790000108.4K247 K249 N341K247-V339 HydrophobicContact CB-CB 4.43Å; K247-V339 WeakPolarHBondContact O-CG2 3.42Å; K247-V339 PolarHBondContact O-N 3.36Å; K249-V339 HydrophobicContact CG-CG2 4.41Å; V339-N341 PolarHBondContact O-N 3.28Å; V339-N341 VanDerWaalsContact O-N 3.17Å
340T52.8Low62.4Low60 Ų60100.6 Ų100.637%0.36851%0.508SS..  trans-65.4112.416846.60000109.4F338 K342F338-T340 HydrophobicContact CD2-CG2 3.61Å; F338-T340 HydrophobicContact CE2-CG2 3.06Å; F338-T340 HydrophobicContact CZ-CG2 3.78Å; F338-T340 PolarHBondContact O-N 3.27Å; T340-K342 VanDerWaalsContact C-N 3.34Å; T340-K342 PolarHBondContact O-N 2.85Å
341N54.3Low61.3Low93 Ų93101.2 Ų101.250%0.49751%0.507SS..  trans-69.697.7167.5-172.4-14.5000107.9V339 K343 A344 S345V339-N341 PolarHBondContact O-N 3.28Å; V339-N341 VanDerWaalsContact O-N 3.17Å; N341-K343 PolarHBondContact O-N 3.11Å; N341-K343 WeakPolarHBondContact OD1-CB 3.25Å; N341-K343 PolarHBondContact OD1-N 3.28Å; N341-K343 VanDerWaalsContact OD1-N 3.12Å; N341-A344 HydrophobicContact CB-CB 4.19Å; N341-A344 PolarHBondContact O-N 3.05Å; N341-S345 PolarHBondContact O-N 2.92Å
342K52.7Low59.9Low163 Ų163103.8 Ų103.871%0.70952%0.516SS*.Hα-helixtrans-50.2-21.8178.6-70.5-179.5178.1176.30113.3T340 K346T340-K342 VanDerWaalsContact C-N 3.34Å; T340-K342 PolarHBondContact O-N 2.85Å; K342-K346 WeakPolarHBondContact O-CB 3.47Å; K342-K346 VanDerWaalsContact O-CG 3.28Å; K342-K346 WeakPolarHBondContact O-CG 3.44Å; K342-K346 PolarHBondContact O-N 3.49Å
343K48.5Very low58.5Low173 Ų173108.3 Ų108.375%0.75253%0.529SS*.Hα-helixtrans-78.7-35.4175.3-61.7-177.3178.5179.30113.1N341 K347N341-K343 PolarHBondContact O-N 3.11Å; N341-K343 WeakPolarHBondContact OD1-CB 3.25Å; N341-K343 PolarHBondContact OD1-N 3.28Å; N341-K343 VanDerWaalsContact OD1-N 3.12Å; K343-K347 WeakPolarHBondContact O-CB 3.4Å; K343-K347 PolarHBondContact O-N 3.19Å; K343-K347 VanDerWaalsContact O-N 3.16Å
344A48.3Very low56.8Low58 Ų58111.6 Ų111.648%0.47955%0.548SS..Hα-helixtrans-73.6-41.7178.300000111.5N341 K346 K347 F348N341-A344 HydrophobicContact CB-CB 4.19Å; N341-A344 PolarHBondContact O-N 3.05Å; A344-K346 PolarHBondContact O-N 3.44Å; A344-K347 PolarHBondContact O-N 3.02Å; A344-F348 PolarHBondContact O-N 3.35Å
345S52.5Low55.1Low59 Ų59111.6 Ų111.641%0.41354%0.537SS..Hα-helixtrans-62.4-42.3175.7-51.60000112N341 K347 F348 E349N341-S345 PolarHBondContact O-N 2.92Å; S345-K347 VanDerWaalsContact C-N 3.33Å; S345-K347 PolarHBondContact O-N 3.08Å; S345-F348 PolarHBondContact O-N 2.91Å; S345-E349 PolarHBondContact O-N 3.22Å
346K52Low53.4Low149 Ų149111.8 Ų111.865%0.64855%0.545SS*.Hα-helixtrans-65.5-33.3174.3-77.2-178.9179.5-174.90113.1K342 A344 K350K342-K346 WeakPolarHBondContact O-CB 3.47Å; K342-K346 VanDerWaalsContact O-CG 3.28Å; K342-K346 WeakPolarHBondContact O-CG 3.44Å; K342-K346 PolarHBondContact O-N 3.49Å; A344-K346 PolarHBondContact O-N 3.44Å; K346-K350 WeakPolarHBondContact O-CB 3.45Å; K346-K350 PolarHBondContact O-N 2.9Å
347K49.1Very low52Low168 Ų168117.9 Ų117.973%0.7357%0.568SS**Hα-helixtrans-73.4-37178.2-154.4176.8-174.4-173.30111.1K343 A344 S345 K350 F351K343-K347 WeakPolarHBondContact O-CB 3.4Å; K343-K347 PolarHBondContact O-N 3.19Å; K343-K347 VanDerWaalsContact O-N 3.16Å; A344-K347 PolarHBondContact O-N 3.02Å; S345-K347 VanDerWaalsContact C-N 3.33Å; S345-K347 PolarHBondContact O-N 3.08Å; K347-K350 PolarHBondContact O-N 3.27Å; K347-F351 WeakPolarHBondContact O-CB 3.49Å; K347-F351 PolarHBondContact O-N 3.3Å
348F47.6Very low50.4Low132 Ų132121.4 Ų121.458%0.57959%0.593SS**Hα-helixtrans-69.4-43.5173.4-170.9-105000112.5A344 S345 K350 F351 L352A344-F348 PolarHBondContact O-N 3.35Å; S345-F348 PolarHBondContact O-N 2.91Å; F348-K350 VanDerWaalsContact C-N 3.3Å; F348-K350 PolarHBondContact O-N 3.15Å; F348-F351 WeakPolarHBondContact O-CB 3.41Å; F348-F351 PolarHBondContact O-N 3.49Å; F348-L352 HydrophobicContact CD1-CD1 3.88Å; F348-L352 HydrophobicContact CD1-CG 4.46Å; F348-L352 HydrophobicContact CE1-CD1 3.55Å; F348-L352 HydrophobicContact CE1-CG 4.21Å; F348-L352 HydrophobicContact CZ-CD1 4.18Å; F348-L352 HydrophobicContact CZ-CG 4.44Å; F348-L352 WeakPolarHBondContact O-CG 3.5Å; F348-L352 PolarHBondContact O-N 3.36Å
349E51.5Low48.7Very low132 Ų132121.9 Ų121.962%0.61761%0.607SS**Hα-helixtrans-60.9-39.2171.7-82.6-176.7144.600112.2S345 K353S345-E349 PolarHBondContact O-N 3.22Å; E349-K353 VanDerWaalsContact O-CB 3.28Å; E349-K353 WeakPolarHBondContact O-CB 3.26Å; E349-K353 PolarHBondContact O-N 3.35Å
350K52Low47.3Very low142 Ų142126.9 Ų126.962%0.61763%0.625SS**Hα-helixtrans-70.1-32.7176.8-161.4176.5-173.8-1760112.1K346 K347 F348 K353 N354K346-K350 WeakPolarHBondContact O-CB 3.45Å; K346-K350 PolarHBondContact O-N 2.9Å; K347-K350 PolarHBondContact O-N 3.27Å; F348-K350 VanDerWaalsContact C-N 3.3Å; F348-K350 PolarHBondContact O-N 3.15Å; K350-K353 PolarHBondContact O-N 3.03Å; K350-N354 VanDerWaalsContact O-CB 3.31Å; K350-N354 WeakPolarHBondContact O-CB 3.3Å; K350-N354 PolarHBondContact O-N 2.7Å; K350-N354 VanDerWaalsContact O-N 3.15Å; K350-N354 PolarHBondContact O-OD1 3.16Å
351F60.5Low46.3Very low109 Ų109131 Ų13148%0.47865%0.649SS.*Hα-helixtrans-67-48.3173.1-179.9-101.3000111.6K347 F348 K353 N354 Q355K347-F351 WeakPolarHBondContact O-CB 3.49Å; K347-F351 PolarHBondContact O-N 3.3Å; F348-F351 WeakPolarHBondContact O-CB 3.41Å; F348-F351 PolarHBondContact O-N 3.49Å; F351-K353 PolarHBondContact O-N 3.18Å; F351-N354 PolarHBondContact O-N 3.19Å; F351-N354 VanDerWaalsContact O-N 3.1Å; F351-Q355 PolarHBondContact O-N 2.76Å
352L52.4Low45.3Very low106 Ų106135.7 Ų135.756%0.55567%0.668SS**Hα-helixtrans-61.1-29174.9-70.9173.6000113.2F348F348-L352 HydrophobicContact CD1-CD1 3.88Å; F348-L352 HydrophobicContact CD1-CG 4.46Å; F348-L352 HydrophobicContact CE1-CD1 3.55Å; F348-L352 HydrophobicContact CE1-CG 4.21Å; F348-L352 HydrophobicContact CZ-CD1 4.18Å; F348-L352 HydrophobicContact CZ-CG 4.44Å; F348-L352 WeakPolarHBondContact O-CG 3.5Å; F348-L352 PolarHBondContact O-N 3.36Å
353K52.6Low44.3Very low181 Ų181132.8 Ų132.879%0.78767%0.674SS**Hα-helixtrans-84.6-14.5179-159.4163.7-173.5173.90113.8E349 K350 F351E349-K353 VanDerWaalsContact O-CB 3.28Å; E349-K353 WeakPolarHBondContact O-CB 3.26Å; E349-K353 PolarHBondContact O-N 3.35Å; K350-K353 PolarHBondContact O-N 3.03Å; F351-K353 PolarHBondContact O-N 3.18Å
354N44.5Very low43.6Very low117 Ų117128.1 Ų128.163%0.62668%0.675SS**Hα-helixtrans-102.2-0.8-179.2-78.26.7000113.5K350 F351 P356K350-N354 VanDerWaalsContact O-CB 3.31Å; K350-N354 WeakPolarHBondContact O-CB 3.3Å; K350-N354 PolarHBondContact O-N 2.7Å; K350-N354 VanDerWaalsContact O-N 3.15Å; K350-N354 PolarHBondContact O-OD1 3.16Å; F351-N354 PolarHBondContact O-N 3.19Å; F351-N354 VanDerWaalsContact O-N 3.1Å; N354-P356 WeakPolarHBondContact O-CD 3.37Å
355Q42.2Very low43Very low103 Ų103132.5 Ų132.548%0.48169%0.69SS.*SBendtrans-66.8120167.3-75.6-8530.600108.7F351F351-Q355 PolarHBondContact O-N 2.76Å
356P37.4Very low42.2Very low89 Ų89139 Ų13958%0.57871%0.714SS**  trans-63.8136.7173.726.1-30.4000109.5N354 D358N354-P356 WeakPolarHBondContact O-CD 3.37Å; P356-D358 VanDerWaalsContact C-N 3.34Å; P356-D358 PolarHBondContact O-N 3.37Å
357K45.1Very low41.4Very low204 Ų204134.9 Ų134.989%0.88771%0.713SS**  trans-8090.3167.4-71.3179.5179.51780106.7S359K357-S359 PolarHBondContact O-N 3.37Å
358D31.8Very low40.9Very low147 Ų147131 Ų13179%0.78670%0.704SS**  trans-73.8110.2170.1-70.6-19.3000108.7P356P356-D358 VanDerWaalsContact C-N 3.34Å; P356-D358 PolarHBondContact O-N 3.37Å
359S33.3Very low40.4Very low95 Ų95130.5 Ų130.566%0.66470%0.703SS**  trans-74.9136.7165.842.70000110.2K357K357-S359 PolarHBondContact O-N 3.37Å
360E32.1Very low39.6Very low185 Ų185134.8 Ų134.886%0.86471%0.713SS**  trans59.3100.6145.7-65.3172.9168.800118
361V31Very low38.8Very low145 Ų145135.1 Ų135.188%0.87972%0.717SS**  trans-127.4100.8142.1-173.20000107.5
362E33.2Very low37.8Very low193 Ų193134.6 Ų134.690%0.90272%0.718SS**  trans-67.8121.2154-85.9-161.5145.500108.4
363A33Very low37.1Very low101 Ų101134.1 Ų134.184%0.83572%0.716SS**  trans174.9124.9141.300000109.5
364G33.6Very low36.3Very low75 Ų75133.6 Ų133.677%0.77372%0.717SS**  trans121.246.3158.100000118.4
365L34.9Very low35.8Very low151 Ų151137.3 Ų137.379%0.79172%0.722SS**  trans-13567.3161.9-79.5169.5000110.6
366H37Very low35.6Very low196 Ų196138.9 Ų138.991%0.90773%0.734SS**SBendtrans-124.913.2166.1-104.8-81.2000113.3
367G34.8Very low35.7Very low61 Ų61142.2 Ų142.263%0.62975%0.746SS**SBendtrans-100.6-20-179.100000115.9
368T39.1Very low35.4Very low88 Ų88142 Ų14254%0.5475%0.745SS.*SBendtrans-105.3-5.3-166.536.90000115.3
369Q37.4Very low35.5Very low120 Ų120144 Ų14456%0.56175%0.749SS**SBendtrans-82.8-27.5178.1-165.460.440.900112.9Q371Q369-Q371 VanDerWaalsContact C-N 3.32Å; Q369-Q371 PolarHBondContact O-N 3.46Å
370R34.1Very low35.7Very low222 Ų222145 Ų14584%0.83875%0.753SS**THydrogen-bonded Turntrans-74.2-15.8-179.5-78.1-174.3178.71760.3114.8
371Q34.5Very low35.7Very low150 Ų150144.1 Ų144.170%0.70176%0.755SS**THydrogen-bonded Turntrans-90.4-15.4178.3-95.9177.3-45.700114Q369Q369-Q371 VanDerWaalsContact C-N 3.32Å; Q369-Q371 PolarHBondContact O-N 3.46Å
372I40.6Very low35.9Very low97 Ų97145.1 Ų145.150%0.49775%0.754SS.*THydrogen-bonded Turntrans-87-33.7179.4-64.2169.2000110.7Q374 W375I372-Q374 VanDerWaalsContact C-N 3.33Å; I372-Q374 PolarHBondContact O-N 3.18Å; I372-W375 PolarHBondContact O-N 3.33Å
373D36.3Very low36Very low97 Ų97144.2 Ų144.252%0.51975%0.751SS.*THydrogen-bonded Turntrans-75.2-20.5-178.3-61.4-27.8000113.2W375D373-W375 VanDerWaalsContact C-N 3.34Å
374Q36.4Very low36.2Very low169 Ų169148 Ų14879%0.7975%0.752SS**THydrogen-bonded Turntrans-80.8-14175.5-164.8161.180.500113.3I372I372-Q374 VanDerWaalsContact C-N 3.33Å; I372-Q374 PolarHBondContact O-N 3.18Å
375W35.1Very low36.5Very low196 Ų196150.3 Ų150.374%0.74275%0.753SS**SBendtrans-88.9-11.1177.8-111.783.6000114I372 D373I372-W375 PolarHBondContact O-N 3.33Å; D373-W375 VanDerWaalsContact C-N 3.34Å
376N36.4Very low36.4Very low135 Ų135151.2 Ų151.272%0.72275%0.753SS**SBendtrans-978.7-177.8-88.1-24.6000114.7
377L39.6Very low36.3Very low159 Ų159146 Ų14683%0.83274%0.744SS**SBendtrans-112.619.2-176.8-13882000115.2
378K39.5Very low36.5Very low200 Ų200150.6 Ų150.687%0.8775%0.754SS**  trans-137.380.2173.2-79.3-173.2175.8-178.30111.7
379Q34.4Very low36.3Very low188 Ų188154.9 Ų154.988%0.87980%0.799SS**  trans-133.4138.4142.3-75.5-152.3-68.500109.4
380P35.9Very low36.3Very low116 Ų116156.7 Ų156.775%0.75381%0.81SS**  trans-78.9148.7-172.231.4-34.2000113.1
381D33.4Very low36.4Very low167 Ų167153.2 Ų153.289%0.89381%0.809SS**  trans-52.2132.7173-77-55.8000112.6
382I34.7Very low36.5Very low166 Ų166153.4 Ų153.485%0.85182%0.815SS**  trans-115.7120163.1-63.3178.6000107.3
383M34.8Very low36.3Very low174 Ų174156.7 Ų156.786%0.85783%0.834SS**  trans-55.7138.1-176.5-65.315957.800113.3
384E38.7Very low36.2Very low181 Ų181160.4 Ų160.485%0.84685%0.853SS**  trans-66.4146.2160.6-66.2-168.314400110.9
385P40.1Very low36.2Very low124 Ų124159.9 Ų159.981%0.80586%0.858SS**  trans-105.8126.5147.523.2-7.4000110.3
386H31.4Very low36.3Very low170 Ų170157.3 Ų157.379%0.78787%0.866SS**  trans-46.6140.6165.6-117.4-98.3000112.6
387A35.4Very low36.3Very low86 Ų86159 Ų15971%0.71188%0.877SS**  trans-87.1140.6159.700000109.3
388D38.3Very low36Very low158 Ų158159 Ų15985%0.84588%0.881SS**  trans-148.9117.2149.5-92.1-35000109.3
389A36Very low35.7Very low178 Ų178155.3 Ų155.3100%1.47188%0.882SS**  trans130.40152.200000113.6

Retrieved 389 of 389 residues in 2251.7 ms (Link to these results)