A0A087WPM0_MOUSE Loading...

Selenoprotein H

AlphaFold DB , UniProt , Accession A0A087WPM0, Species MOUSE (Mus musculus, Mouse), Gene Selenoh, Length 123 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
1M52.2Low50.6Low246 Ų246159.2 Ų159.2100%1.21286%0.86SS**  0117.10-107.778.3159.800109.2
2A51.4Low49.3Very low93 Ų93154.4 Ų154.477%0.76986%0.859SS**  trans-154.6118.8157.600000107.6
3P68.5Low48.6Very low119 Ų119149.4 Ų149.477%0.77385%0.849SS**  trans-96.4133.8-176.634.6-28.1000110.7
4H58.3Low47.9Very low196 Ų196146.4 Ų146.491%0.90784%0.839SS**  trans-132.199.6162-92.2-82.4000110.1
5G52.5Low47.4Very low69 Ų69148.3 Ų148.371%0.71184%0.84SS**  trans-88.6151.7164.500000111.9
6R55.7Low47.6Very low234 Ų234149.5 Ų149.588%0.88384%0.836SS**  trans153.4150.2151-96176.1153.9-165.5-4.4107.3
7K46.7Very low47Very low179 Ų179147.1 Ų147.178%0.77883%0.827SS**  cis-168.9161.8-16.9-166.6165.8176.9-174.10103.7
8R48.8Very low47.4Very low226 Ų226145.8 Ų145.885%0.85382%0.822SS**  trans-61.6168.5-163.9-51.3175.5-166-110.73.8117.1
9K47.3Very low46.9Very low207 Ų207145.5 Ų145.590%0.982%0.818SS**  trans83.7108.6136.6-99.2-172.6173.2-164.40119.3
10A36.4Very low46.9Very low99 Ų99147 Ų14782%0.81882%0.816SS**  trans-154.9122.4132.300000104.7
11G38.8Very low47Very low83 Ų83151.4 Ų151.486%0.85682%0.82SS**  cis79.168.243.400000108.1
12A35.7Very low47.1Very low102 Ų102147.3 Ų147.384%0.84380%0.798SS**  trans-132116.3168.100000107.2
13A39.3Very low46.4Very low89 Ų89151.2 Ų151.274%0.73680%0.797SS**  trans-60.9155.1-169.900000113.1M15A13-M15 PolarHBondContact O-N 3.25Å
14P39.3Very low45.5Very low108 Ų108152.5 Ų152.570%0.70180%0.797SS**  trans-68.3127.2168.730.2-31.4000108.9E16P14-E16 PolarHBondContact O-N 3.16Å
15M39.7Very low45Very low175 Ų175144.4 Ų144.486%0.86276%0.764SS**  trans-81.195159.7-74.1177.468.600106.2A13 T17A13-M15 PolarHBondContact O-N 3.25Å; M15-T17 PolarHBondContact O-N 3.3Å
16E51.8Low45.1Very low167 Ų167149.6 Ų149.678%0.7877%0.77SS**  trans-74.7103.6159-74.1175.481.800107.1P14P14-E16 PolarHBondContact O-N 3.16Å
17T37.1Very low45.6Very low109 Ų109140.6 Ų140.667%0.66975%0.75SS**  trans-95.596.6158.1510000107M15 D19M15-T17 PolarHBondContact O-N 3.3Å; T17-D19 PolarHBondContact O-N 3Å
18V54.3Low47.3Very low124 Ų124133 Ų13375%0.75272%0.72SS**  trans-64.1108.4155.2165.30000106.4
19D38.5Very low49.2Very low139 Ų139123.6 Ų123.674%0.74369%0.688SS**  trans-132.793.3159.8-75.8-72.8000108.5T17 R21T17-D19 PolarHBondContact O-N 3Å; D19-R21 PolarHBondContact O-N 3.13Å
20K46.4Very low51.3Low176 Ų176113.8 Ų113.877%0.76565%0.645SS**  trans-54.597.9160.1-180173-179.8-179.10108.4E22K20-E22 VanDerWaalsContact CE-OE2 3.31Å; K20-E22 WeakPolarHBondContact CE-OE2 3.31Å
21R47.9Very low54Low239 Ų239109.9 Ų109.990%0.90261%0.611SS**  trans-131.974.1157.5-154.6169.2-150.6-156.53.5109.9D19 K23D19-R21 PolarHBondContact O-N 3.13Å; R21-K23 PolarHBondContact O-N 3.18Å; R21-K23 VanDerWaalsContact O-N 3.13Å
22E54.1Low56.6Low160 Ų160106 Ų10675%0.74857%0.571SS**  trans-60.9104.5158.3-67.6168.580.400108.6K20K20-E22 VanDerWaalsContact CE-OE2 3.31Å; K20-E22 WeakPolarHBondContact CE-OE2 3.31Å
23K38.3Very low59.5Low175 Ų175103.3 Ų103.376%0.76154%0.541SS*.  trans-164.689.8148.1-156.787.6170-70.50109.9R21R21-K23 PolarHBondContact O-N 3.18Å; R21-K23 VanDerWaalsContact O-N 3.13Å
24L48.6Very low62.1Low146 Ų146100 Ų10076%0.76451%0.51SS*.  trans36100.9153.9-73.186.1000119
25A47.7Very low64.6Low26 Ų2695.1 Ų95.122%0.21548%0.478CS..SBendtrans-122.785.9131.600000106.3G27 A28 E58A25-G27 PolarHBondContact O-N 3.47Å; A25-A28 PolarHBondContact O-N 2.88Å; A25-E58 HydrophobicContact CB-CB 4.04Å; A25-E58 HydrophobicContact CB-CG 3.84Å; A25-E58 WeakPolarHBondContact CB-O 3.42Å
26E54.1Low67.1Low179 Ų17991.7 Ų91.784%0.83647%0.467SS*.THydrogen-bonded Turntrans23.953.4-179.2-84.1176.352.500116.9A28 S80E26-A28 PolarHBondContact O-N 3.19Å; E26-S80 PolarHBondContact O-OG 2.89Å
27G67Low69Low45 Ų4588 Ų8846%0.46446%0.46SS..THydrogen-bonded Turntrans38.832.3178.800000117.2A25 R79 S80A25-G27 PolarHBondContact O-N 3.47Å; G27-R79 CarbonylContact O-C 3.4Å; G27-S80 VanDerWaalsContact C-OG 3.26Å; G27-S80 WeakPolarHBondContact CA-OG 3.14Å; G27-S80 PolarHBondContact N-OG 3.17Å; G27-S80 WeakPolarHBondContact O-CA 2.99Å; G27-S80 PolarHBondContact O-N 3.18Å; G27-S80 PolarHBondContact O-OG 3.07Å
28A82.9Confident71.4Confident18 Ų1884.2 Ų84.215%0.14944%0.438CS..  trans-93.4144.1168.500000110.7A25 E26 L59 P60 L77 L78A25-A28 PolarHBondContact O-N 2.88Å; E26-A28 PolarHBondContact O-N 3.19Å; A28-L59 HydrophobicContact CB-CD1 4.26Å; A28-P60 WeakPolarHBondContact O-CD 3.22Å; A28-P60 WeakPolarHBondContact O-CG 3.27Å; A28-L77 HydrophobicContact CB-CD1 3.98Å; A28-L77 HydrophobicContact CB-CG 4.3Å; A28-L78 CarbonylContact C-O 3.37Å; A28-L78 WeakPolarHBondContact CA-O 3.41Å
29T89Confident73.1Confident30 Ų3089.1 Ų89.118%0.18444%0.443CS..EExtended strand (participates in β ladder)trans-136.7129.7179.3-60.90000109.3P60 Q62 L78T29-P60 HydrophobicContact CG2-CB 4.27Å; T29-P60 HydrophobicContact CG2-CG 4.15Å; T29-P60 WeakPolarHBondContact OG1-CG 3.4Å; T29-Q62 HydrophobicContact CG2-CG 3.93Å; T29-L78 PolarHBondContact N-O 3.13Å; T29-L78 PolarHBondContact O-N 2.92Å
30V91Very high75.6Confident1 Ų185.3 Ų85.31%0.00643%0.425CS..EExtended strand (participates in β ladder)trans-88.1129.7175.2178.80000109.6I32 L52 L59 P60 V61 Q62 V75 T76 L77V30-I32 HydrophobicContact CG1-CG1 4.32Å; V30-L52 HydrophobicContact CG1-CD1 3.87Å; V30-L59 HydrophobicContact CG2-CD1 4.42Å; V30-L59 HydrophobicContact CG2-CD2 3.47Å; V30-L59 VanDerWaalsContact CG2-CD2 3.47Å; V30-L59 HydrophobicContact CG2-CG 3.96Å; V30-P60 PolarHBondContact N-O 3.12Å; V30-V61 HydrophobicContact CB-CG2 4.45Å; V30-V61 CarbonylContact O-C 3.41Å; V30-V61 WeakPolarHBondContact O-CA 3.31Å; V30-Q62 PolarHBondContact O-N 3.07Å; V30-V75 HydrophobicContact CG1-CG1 3.87Å; V30-T76 CarbonylContact C-O 3.54Å; V30-T76 WeakPolarHBondContact CA-O 3.44Å; V30-L77 HydrophobicContact CG2-CD1 3.67Å
31V92.6Very high77.8Confident17 Ų1777.3 Ų77.310%0.10339%0.39CS..EExtended strand (participates in β ladder)trans-113.3121.5175.1-178.10000109.3Q62 P65 V75 T76 L78V31-Q62 CarbonylContact C-O 3.59Å; V31-Q62 WeakPolarHBondContact CA-O 3.49Å; V31-Q62 HydrophobicContact CG2-CB 4.36Å; V31-P65 HydrophobicContact CG1-CG 3.58Å; V31-V75 WeakPolarHBondContact O-CA 3.49Å; V31-T76 PolarHBondContact N-O 3.04Å; V31-T76 PolarHBondContact O-N 2.78Å; V31-L78 HydrophobicContact CG2-CD1 3.53Å; V31-L78 HydrophobicContact CG2-CG 3.89Å
32I94.3Very high79.9Confident0 Ų067.1 Ų67.10%036%0.359CS..EExtended strand (participates in β ladder)trans-105112.5173.4-55.8170.9000108.1V30 A45 L48 L52 V61 Q62 V63 N64 F73 V75V30-I32 HydrophobicContact CG1-CG1 4.32Å; I32-A45 HydrophobicContact CG2-CB 3.89Å; I32-L48 HydrophobicContact CD1-CB 4.36Å; I32-L48 HydrophobicContact CD1-CD2 4.01Å; I32-L48 HydrophobicContact CD1-CG 4.1Å; I32-L48 HydrophobicContact CG1-CD2 4.35Å; I32-L52 HydrophobicContact CD1-CD1 4.19Å; I32-V61 HydrophobicContact CD1-CG1 3.74Å; I32-V61 HydrophobicContact CG1-CG1 4.24Å; I32-Q62 PolarHBondContact N-O 3.24Å; I32-V63 HydrophobicContact CB-CG2 4.45Å; I32-V63 WeakPolarHBondContact O-CA 3.46Å; I32-N64 PolarHBondContact O-N 3.48Å; I32-F73 HydrophobicContact CG2-CZ 4.45Å; I32-V75 HydrophobicContact CG1-CG1 4.36Å
33E95Very high81.8Confident46 Ų4669.2 Ų69.222%0.21536%0.36CS..EExtended strand (participates in β ladder)trans-100.6129.1171.8-167.8-168.6109.900109.8N64 P68 R69 S72 F73 E74E33-N64 WeakPolarHBondContact CA-OD1 3.21Å; E33-P68 HydrophobicContact CG-CB 3.41Å; E33-P68 VanDerWaalsContact CG-CB 3.41Å; E33-R69 PolarHBondContact OE1-N 2.92Å; E33-S72 WeakPolarHBondContact OE1-CB 3.14Å; E33-S72 PolarHBondContact OE1-OG 3.31Å; E33-F73 CarbonylContact O-C 3.48Å; E33-F73 VanDerWaalsContact O-CA 3.26Å; E33-F73 WeakPolarHBondContact O-CA 3.15Å; E33-E74 HydrophobicContact CB-CB 4.28Å; E33-E74 PolarHBondContact N-O 2.96Å; E33-E74 PolarHBondContact O-N 3.41Å
34H94.6Very high84.3Confident21 Ų2164.6 Ų64.610%0.09734%0.341CS..EExtended strand (participates in β ladder)trans-140.9149.9175.580.480.5000113.1T36 A45 N64 P68 S72 F73H34-T36 PolarHBondContact O-N 2.63Å; H34-T36 VanDerWaalsContact O-N 3.09Å; H34-A45 HydrophobicContact CB-CB 4.2Å; H34-A45 WeakPolarHBondContact CD2-CB 3.42Å; H34-N64 PolarHBondContact CD2-ND2 3.44Å; H34-N64 PolarHBondContact N-OD1 3.23Å; H34-N64 PolarHBondContact NE2-ND2 3.09Å; H34-N64 PolarHBondContact O-OD1 3.48Å; H34-P68 WeakPolarHBondContact O-CB 3.34Å; H34-P68 WeakPolarHBondContact O-CG 3.38Å; H34-S72 CarbonylContact C-O 3.52Å; H34-S72 WeakPolarHBondContact CA-O 3.35Å; H34-F73 HydrophobicContact CB-CD2 3.89Å; H34-F73 HydrophobicContact CB-CE2 4.21Å
35C92.4Very high86.4Confident4 Ų457.7 Ų57.73%0.02731%0.305CS..  trans-61.1115.9173.5-171.90000111.9S37 C38 Y41 G71 S72C35-S37 PolarHBondContact O-N 3.03Å; C35-S37 PolarHBondContact SG-OG 3.29Å; C35-C38 HydrophobicContact CB-CB 4.15Å; C35-C38 PolarHBondContact O-N 2.92Å; C35-Y41 HydrophobicContact CB-CD1 3.84Å; C35-Y41 HydrophobicContact CB-CE1 4.26Å; C35-Y41 HydrophobicContact CB-CG 4.47Å; C35-G71 PolarHBondContact SG-N 2.8Å; C35-S72 PolarHBondContact N-O 2.85Å
36T92.6Very high88.6Confident103 Ų10358.8 Ų58.863%0.63231%0.314SS*.THydrogen-bonded Turntrans-69.8-27.6-177.749.90000114H34 C38 P68H34-T36 PolarHBondContact O-N 2.63Å; H34-T36 VanDerWaalsContact O-N 3.09Å; T36-C38 PolarHBondContact O-N 3.11Å; T36-P68 HydrophobicContact CG2-CG 3.75Å
37S89.9Confident90.3Very high91 Ų9152.9 Ų52.964%0.63630%0.296SS*.THydrogen-bonded Turntrans-74.3-10.6175.563.80000113.9C35C35-S37 PolarHBondContact O-N 3.03Å; C35-S37 PolarHBondContact SG-OG 3.29Å
38C87.9Confident91.4Very high29 Ų2951 Ų5120%0.19628%0.275CS..  trans-102.8100.5-177.6-720000111C35 T36 V40 Y41 G42C35-C38 HydrophobicContact CB-CB 4.15Å; C35-C38 PolarHBondContact O-N 2.92Å; T36-C38 PolarHBondContact O-N 3.11Å; C38-V40 PolarHBondContact O-N 3.39Å; C38-V40 VanDerWaalsContact O-N 3.16Å; C38-Y41 HydrophobicContact CB-CD1 4.38Å; C38-Y41 HydrophobicContact CB-CD2 3.66Å; C38-Y41 HydrophobicContact CB-CE2 4.4Å; C38-Y41 HydrophobicContact CB-CG 3.66Å; C38-Y41 WeakPolarHBondContact O-CB 3.1Å; C38-Y41 PolarHBondContact O-N 3.05Å; C38-G42 PolarHBondContact O-N 2.9Å
39R90.3Very high91.8Very high226 Ų22650.9 Ų50.985%0.85327%0.273SS*.Hα-helixtrans-52.7-40.3178.7-70.8-172.3-179.1175.10.2113.8Y41 G42 R43R39-Y41 VanDerWaalsContact C-N 3.27Å; R39-Y41 PolarHBondContact O-N 2.99Å; R39-G42 PolarHBondContact O-N 2.74Å; R39-R43 PolarHBondContact O-N 3.12Å; R39-R43 VanDerWaalsContact O-N 3.13Å
40V91.1Very high91.9Very high60 Ų6055 Ų5536%0.36429%0.29SS..Hα-helixtrans-59.4-40.1177176.90000111.2C38 R43 H44 F101C38-V40 PolarHBondContact O-N 3.39Å; C38-V40 VanDerWaalsContact O-N 3.16Å; V40-R43 PolarHBondContact O-N 2.79Å; V40-H44 PolarHBondContact O-CD2 2.9Å; V40-H44 VanDerWaalsContact O-CD2 3.23Å; V40-H44 PolarHBondContact O-N 2.93Å; V40-H44 VanDerWaalsContact O-N 3.13Å; V40-F101 HydrophobicContact CG1-CE2 3.93Å; V40-F101 HydrophobicContact CG1-CZ 3.71Å
41Y91.8Very high91.7Very high8 Ų856 Ų563%0.03130%0.298CS..Hα-helixtrans-68.7-41.7-178.2-77.5-137.6000110.8C35 C38 R39 R43 H44 A45 S72 F73 R97 K100 F101C35-Y41 HydrophobicContact CB-CD1 3.84Å; C35-Y41 HydrophobicContact CB-CE1 4.26Å; C35-Y41 HydrophobicContact CB-CG 4.47Å; C38-Y41 HydrophobicContact CB-CD1 4.38Å; C38-Y41 HydrophobicContact CB-CD2 3.66Å; C38-Y41 HydrophobicContact CB-CE2 4.4Å; C38-Y41 HydrophobicContact CB-CG 3.66Å; C38-Y41 WeakPolarHBondContact O-CB 3.1Å; C38-Y41 PolarHBondContact O-N 3.05Å; R39-Y41 VanDerWaalsContact C-N 3.27Å; R39-Y41 PolarHBondContact O-N 2.99Å; Y41-R43 VanDerWaalsContact C-N 3.32Å; Y41-R43 PolarHBondContact O-N 3.24Å; Y41-H44 PolarHBondContact O-N 2.79Å; Y41-A45 WeakPolarHBondContact O-CB 3.47Å; Y41-A45 PolarHBondContact O-N 3.24Å; Y41-S72 WeakPolarHBondContact CD1-O 3.5Å; Y41-S72 WeakPolarHBondContact CE1-O 3.43Å; Y41-F73 HydrophobicContact CD1-CB 3.95Å; Y41-F73 AromaticContact CD1-CD2 3.99Å; Y41-F73 HydrophobicContact CD1-CD2 3.99Å; Y41-F73 HydrophobicContact CD1-CG 4.49Å; Y41-F73 HydrophobicContact CE1-CB 3.85Å; Y41-F73 HydrophobicContact CG-CD2 4.28Å; Y41-F73 WeakPolarHBondContact O-CE2 3.12Å; Y41-R97 VanDerWaalsContact CD2-NH2 3.29Å; Y41-R97 HydrophobicContact CE2-CG 4.25Å; Y41-R97 VanDerWaalsContact CE2-NH2 3.32Å; Y41-K100 VanDerWaalsContact OH-CD 3.29Å; Y41-K100 WeakPolarHBondContact OH-CD 3.17Å; Y41-K100 VanDerWaalsContact OH-CE 3.25Å; Y41-K100 WeakPolarHBondContact OH-CE 3.43Å; Y41-K100 PolarHBondContact OH-NZ 2.84Å; Y41-F101 HydrophobicContact CD1-CE1 4.31Å; Y41-F101 AromaticContact CD2-CE1 3.5Å; Y41-F101 HydrophobicContact CD2-CE1 3.5Å; Y41-F101 AromaticContact CD2-CZ 3.38Å; Y41-F101 HydrophobicContact CD2-CZ 3.38Å; Y41-F101 AromaticContact CE2-CE1 3.72Å; Y41-F101 HydrophobicContact CE2-CE1 3.72Å; Y41-F101 AromaticContact CE2-CZ 3.39Å; Y41-F101 HydrophobicContact CE2-CZ 3.39Å; Y41-F101 AromaticContact CG-CE1 3.81Å; Y41-F101 HydrophobicContact CG-CE1 3.81Å; Y41-F101 HydrophobicContact CG-CZ 4.18Å
42G92.5Very high91.3Very high25 Ų2556 Ų5626%0.25830%0.298SS..Hα-helixtrans-60.3-40174.500000112.9C38 R39 A45 A46C38-G42 PolarHBondContact O-N 2.9Å; R39-G42 PolarHBondContact O-N 2.74Å; G42-A45 PolarHBondContact O-N 3.23Å; G42-A46 WeakPolarHBondContact O-CB 3.44Å; G42-A46 PolarHBondContact O-N 3.47Å
43R93.4Very high90.9Very high203 Ų20360.8 Ų60.877%0.76632%0.32SS*.Hα-helixtrans-62.5-45.6175.7-71.9-173.3177.8-173.8-2.1112.4R39 V40 Y41 A46 A47R39-R43 PolarHBondContact O-N 3.12Å; R39-R43 VanDerWaalsContact O-N 3.13Å; V40-R43 PolarHBondContact O-N 2.79Å; Y41-R43 VanDerWaalsContact C-N 3.32Å; Y41-R43 PolarHBondContact O-N 3.24Å; R43-A46 PolarHBondContact O-N 3.4Å; R43-A47 WeakPolarHBondContact O-CB 3.48Å; R43-A47 PolarHBondContact O-N 3.41Å
44H92.1Very high90.4Very high78 Ų7865.6 Ų65.636%0.36135%0.346SS..Hα-helixtrans-66.2-39.2177.1-79.3-78.4000112.2V40 Y41 A47 L48 F73 F101V40-H44 PolarHBondContact O-CD2 2.9Å; V40-H44 VanDerWaalsContact O-CD2 3.23Å; V40-H44 PolarHBondContact O-N 2.93Å; V40-H44 VanDerWaalsContact O-N 3.13Å; Y41-H44 PolarHBondContact O-N 2.79Å; H44-A47 PolarHBondContact O-N 2.72Å; H44-L48 VanDerWaalsContact O-CB 3.28Å; H44-L48 WeakPolarHBondContact O-CB 3.31Å; H44-L48 PolarHBondContact O-N 3.17Å; H44-F73 HydrophobicContact CB-CE2 3.79Å; H44-F73 HydrophobicContact CB-CZ 4.03Å; H44-F101 HydrophobicContact CB-CB 4.41Å; H44-F101 HydrophobicContact CB-CD1 3.58Å; H44-F101 HydrophobicContact CB-CE1 4.04Å; H44-F101 HydrophobicContact CB-CG 4.05Å; H44-F101 AromaticContact CD2-CD1 3.72Å; H44-F101 AromaticContact CD2-CD2 3.64Å; H44-F101 AromaticContact CD2-CE1 3.78Å; H44-F101 AromaticContact CD2-CE2 3.67Å; H44-F101 AromaticContact CD2-CG 3.64Å; H44-F101 AromaticContact CD2-CZ 3.74Å; H44-F101 AromaticContact CE1-CD2 3.95Å; H44-F101 AromaticContact CG-CD1 3.6Å; H44-F101 AromaticContact CG-CG 3.59Å; H44-F101 AromaticContact ND1-CG 3.83Å; H44-F101 AromaticContact NE2-CD2 3.6Å; H44-F101 AromaticContact NE2-CE2 3.79Å; H44-F101 AromaticContact NE2-CG 3.95Å
45A92.9Very high89.7Confident1 Ų168.7 Ų68.71%0.00836%0.361CS..Hα-helixtrans-63.4-42.9176.600000111.7I32 H34 Y41 G42 L48 S49 F73I32-A45 HydrophobicContact CG2-CB 3.89Å; H34-A45 HydrophobicContact CB-CB 4.2Å; H34-A45 WeakPolarHBondContact CD2-CB 3.42Å; Y41-A45 WeakPolarHBondContact O-CB 3.47Å; Y41-A45 PolarHBondContact O-N 3.24Å; G42-A45 PolarHBondContact O-N 3.23Å; A45-L48 PolarHBondContact O-N 2.82Å; A45-S49 VanDerWaalsContact O-CB 3.22Å; A45-S49 WeakPolarHBondContact O-CB 3.37Å; A45-S49 PolarHBondContact O-N 2.79Å; A45-F73 HydrophobicContact CB-CE2 4.02Å; A45-F73 HydrophobicContact CB-CZ 4.38Å
46A92.4Very high89.1Confident50 Ų5069.9 Ų69.941%0.41337%0.371SS..Hα-helixtrans-66-41.6176.100000112.3G42 R43 Q50G42-A46 WeakPolarHBondContact O-CB 3.44Å; G42-A46 PolarHBondContact O-N 3.47Å; R43-A46 PolarHBondContact O-N 3.4Å; A46-Q50 WeakPolarHBondContact O-CB 3.13Å; A46-Q50 WeakPolarHBondContact O-CG 3.17Å; A46-Q50 PolarHBondContact O-N 2.92Å; A46-Q50 PolarHBondContact O-NE2 2.98Å
47A91.3Very high88.6Confident54 Ų5470 Ų7045%0.44637%0.374SS..Hα-helixtrans-63-45.2176.300000111.4R43 H44 Q50 A51R43-A47 WeakPolarHBondContact O-CB 3.48Å; R43-A47 PolarHBondContact O-N 3.41Å; H44-A47 PolarHBondContact O-N 2.72Å; A47-Q50 PolarHBondContact O-N 2.83Å; A47-A51 WeakPolarHBondContact O-CB 3.31Å; A47-A51 PolarHBondContact O-N 2.87Å
48L90.4Very high88.1Confident7 Ų771.8 Ų71.84%0.03737%0.372CS..Hα-helixtrans-65.1-44.5178.1-17764000112I32 H44 A45 Q50 A51 L52 F73 V75 P102 P104 L107I32-L48 HydrophobicContact CD1-CB 4.36Å; I32-L48 HydrophobicContact CD1-CD2 4.01Å; I32-L48 HydrophobicContact CD1-CG 4.1Å; I32-L48 HydrophobicContact CG1-CD2 4.35Å; H44-L48 VanDerWaalsContact O-CB 3.28Å; H44-L48 WeakPolarHBondContact O-CB 3.31Å; H44-L48 PolarHBondContact O-N 3.17Å; A45-L48 PolarHBondContact O-N 2.82Å; L48-Q50 VanDerWaalsContact C-N 3.29Å; L48-Q50 PolarHBondContact O-N 3.06Å; L48-A51 PolarHBondContact O-N 2.96Å; L48-L52 HydrophobicContact CD1-CD1 4.5Å; L48-L52 HydrophobicContact CD1-CG 4.44Å; L48-L52 HydrophobicContact CG-CD1 4.13Å; L48-L52 HydrophobicContact CG-CG 4.5Å; L48-L52 WeakPolarHBondContact O-CB 3.09Å; L48-L52 WeakPolarHBondContact O-CG 3.45Å; L48-L52 PolarHBondContact O-N 2.83Å; L48-F73 HydrophobicContact CD2-CE1 4.27Å; L48-F73 HydrophobicContact CD2-CZ 4.39Å; L48-V75 HydrophobicContact CD2-CG2 3.74Å; L48-P102 HydrophobicContact CD2-CG 4.08Å; L48-P104 HydrophobicContact CD1-CB 4.19Å; L48-P104 HydrophobicContact CD1-CG 4.21Å; L48-L107 HydrophobicContact CD1-CD1 3.71Å; L48-L107 HydrophobicContact CD2-CD1 3.93Å; L48-L107 HydrophobicContact CG-CD1 4.26Å
49S90.3Very high87.8Confident14 Ų1471.7 Ų71.710%0.09837%0.369CS..Hα-helixtrans-59.5-40.9176.81760000111.9A45 Q53A45-S49 VanDerWaalsContact O-CB 3.22Å; A45-S49 WeakPolarHBondContact O-CB 3.37Å; A45-S49 PolarHBondContact O-N 2.79Å; S49-Q53 VanDerWaalsContact O-CG 3.31Å; S49-Q53 WeakPolarHBondContact O-CG 3.39Å; S49-Q53 PolarHBondContact O-N 2.76Å; S49-Q53 VanDerWaalsContact O-N 3.12Å; S49-Q53 PolarHBondContact O-NE2 3.35Å; S49-Q53 PolarHBondContact OG-NE2 3.03Å
50Q90.3Very high87.7Confident117 Ų11764 Ų6455%0.54735%0.348SS..Hα-helixtrans-67.8-43.7175.3-74.9169.2100.400111.9A46 A47 L48 L52 Q53 L54A46-Q50 WeakPolarHBondContact O-CB 3.13Å; A46-Q50 WeakPolarHBondContact O-CG 3.17Å; A46-Q50 PolarHBondContact O-N 2.92Å; A46-Q50 PolarHBondContact O-NE2 2.98Å; A47-Q50 PolarHBondContact O-N 2.83Å; L48-Q50 VanDerWaalsContact C-N 3.29Å; L48-Q50 PolarHBondContact O-N 3.06Å; Q50-L52 PolarHBondContact O-N 2.95Å; Q50-Q53 PolarHBondContact O-N 3.26Å; Q50-L54 VanDerWaalsContact O-CG 3.31Å; Q50-L54 WeakPolarHBondContact O-CG 3.36Å; Q50-L54 PolarHBondContact O-N 2.87Å
51A87.8Confident87.6Confident21 Ų2162.6 Ų62.617%0.17434%0.34CS..Hα-helixtrans-58.4-48.317700000111.3A47 L48 Q53 L54 E55 P104A47-A51 WeakPolarHBondContact O-CB 3.31Å; A47-A51 PolarHBondContact O-N 2.87Å; L48-A51 PolarHBondContact O-N 2.96Å; A51-Q53 VanDerWaalsContact C-N 3.31Å; A51-Q53 PolarHBondContact O-N 3.47Å; A51-L54 WeakPolarHBondContact O-CB 3.4Å; A51-L54 PolarHBondContact O-N 3.38Å; A51-E55 WeakPolarHBondContact O-CG 3.26Å; A51-E55 PolarHBondContact O-N 3.25Å; A51-P104 HydrophobicContact CB-CB 3.81Å; A51-P104 HydrophobicContact CB-CG 3.76Å
52L84.8Confident87.6Confident18 Ų1866.4 Ų66.49%0.09436%0.358CS..Hα-helixtrans-60.1-38.9176.9-71.1170.9000112.7V30 I32 L48 Q50 L54 A56 V61V30-L52 HydrophobicContact CG1-CD1 3.87Å; I32-L52 HydrophobicContact CD1-CD1 4.19Å; L48-L52 HydrophobicContact CD1-CD1 4.5Å; L48-L52 HydrophobicContact CD1-CG 4.44Å; L48-L52 HydrophobicContact CG-CD1 4.13Å; L48-L52 HydrophobicContact CG-CG 4.5Å; L48-L52 WeakPolarHBondContact O-CB 3.09Å; L48-L52 WeakPolarHBondContact O-CG 3.45Å; L48-L52 PolarHBondContact O-N 2.83Å; Q50-L52 PolarHBondContact O-N 2.95Å; L52-L54 VanDerWaalsContact C-N 3.34Å; L52-A56 CarbonylContact O-C 3.56Å; L52-A56 WeakPolarHBondContact O-CA 3.44Å; L52-A56 PolarHBondContact O-N 3.07Å; L52-V61 HydrophobicContact CB-CG2 4Å; L52-V61 HydrophobicContact CD1-CG2 4.35Å
53Q85.3Confident87.7Confident100 Ų10068.3 Ų68.347%0.46737%0.365SS..Hα-helixtrans-71.4-27.7176.3-76.3168.981.800113.2S49 Q50 A51 P57 V61S49-Q53 VanDerWaalsContact O-CG 3.31Å; S49-Q53 WeakPolarHBondContact O-CG 3.39Å; S49-Q53 PolarHBondContact O-N 2.76Å; S49-Q53 VanDerWaalsContact O-N 3.12Å; S49-Q53 PolarHBondContact O-NE2 3.35Å; S49-Q53 PolarHBondContact OG-NE2 3.03Å; Q50-Q53 PolarHBondContact O-N 3.26Å; A51-Q53 VanDerWaalsContact C-N 3.31Å; A51-Q53 PolarHBondContact O-N 3.47Å; Q53-P57 WeakPolarHBondContact O-CA 3.4Å; Q53-P57 WeakPolarHBondContact O-CB 3.41Å; Q53-V61 HydrophobicContact CG-CG2 4.31Å
54L84.4Confident87.7Confident147 Ų14760.3 Ų60.377%0.7734%0.337SS*.Hα-helixtrans-76.4-40.6175-72.1170.2000111.4Q50 A51 L52Q50-L54 VanDerWaalsContact O-CG 3.31Å; Q50-L54 WeakPolarHBondContact O-CG 3.36Å; Q50-L54 PolarHBondContact O-N 2.87Å; A51-L54 WeakPolarHBondContact O-CB 3.4Å; A51-L54 PolarHBondContact O-N 3.38Å; L52-L54 VanDerWaalsContact C-N 3.34Å
55E80.3Confident87.6Confident87 Ų8760.2 Ų60.241%0.40734%0.343SS..Hα-helixtrans-76.1-40179.3-68.2180123.300112A51A51-E55 WeakPolarHBondContact O-CG 3.26Å; A51-E55 PolarHBondContact O-N 3.25Å
56A79.8Confident87.5Confident29 Ų2964.3 Ų64.324%0.2437%0.372CS..  trans-136.976.1-17800000110.6L52 E58 L59L52-A56 CarbonylContact O-C 3.56Å; L52-A56 WeakPolarHBondContact O-CA 3.44Å; L52-A56 PolarHBondContact O-N 3.07Å; A56-E58 PolarHBondContact O-N 3.39Å; A56-E58 VanDerWaalsContact O-N 3.12Å; A56-L59 HydrophobicContact CB-CB 3.8Å; A56-L59 HydrophobicContact CB-CD2 4.33Å; A56-L59 WeakPolarHBondContact O-CB 3.45Å; A56-L59 PolarHBondContact O-N 3.04Å
57P81.3Confident87.3Confident105 Ų10571.5 Ų71.568%0.68239%0.394SS*.THydrogen-bonded Turntrans-63.3-19.1-178.524.6-34.3000113.8Q53Q53-P57 WeakPolarHBondContact O-CA 3.4Å; Q53-P57 WeakPolarHBondContact O-CB 3.41Å
58E79.1Confident87.3Confident128 Ų12870 Ų7060%0.59838%0.38SS*.THydrogen-bonded Turntrans-81.7-16.5175.459.2-171.288.700113.8A25 A56 P60A25-E58 HydrophobicContact CB-CB 4.04Å; A25-E58 HydrophobicContact CB-CG 3.84Å; A25-E58 WeakPolarHBondContact CB-O 3.42Å; A56-E58 PolarHBondContact O-N 3.39Å; A56-E58 VanDerWaalsContact O-N 3.12Å; E58-P60 VanDerWaalsContact O-CD 3.31Å; E58-P60 WeakPolarHBondContact O-CD 3.34Å
59L81.9Confident87.3Confident28 Ų2877.5 Ų77.515%0.14741%0.408CS..SBendtrans-87.5113.8-178.5-173.465.1000110.3A28 V30 A56 V61A28-L59 HydrophobicContact CB-CD1 4.26Å; V30-L59 HydrophobicContact CG2-CD1 4.42Å; V30-L59 HydrophobicContact CG2-CD2 3.47Å; V30-L59 VanDerWaalsContact CG2-CD2 3.47Å; V30-L59 HydrophobicContact CG2-CG 3.96Å; A56-L59 HydrophobicContact CB-CB 3.8Å; A56-L59 HydrophobicContact CB-CD2 4.33Å; A56-L59 WeakPolarHBondContact O-CB 3.45Å; A56-L59 PolarHBondContact O-N 3.04Å; L59-V61 PolarHBondContact O-N 2.95Å
60P87.9Confident87.1Confident63 Ų6387.2 Ų87.241%0.40944%0.442SS..  trans-66.2132.6178.224.6-32.2000111A28 T29 V30 E58A28-P60 WeakPolarHBondContact O-CD 3.22Å; A28-P60 WeakPolarHBondContact O-CG 3.27Å; T29-P60 HydrophobicContact CG2-CB 4.27Å; T29-P60 HydrophobicContact CG2-CG 4.15Å; T29-P60 WeakPolarHBondContact OG1-CG 3.4Å; V30-P60 PolarHBondContact N-O 3.12Å; E58-P60 VanDerWaalsContact O-CD 3.31Å; E58-P60 WeakPolarHBondContact O-CD 3.34Å
61V89.7Confident86.9Confident31 Ų3182.6 Ų82.619%0.18843%0.425CS..EExtended strand (participates in β ladder)trans-115.3122.8177-175.60000109.8V30 I32 L52 Q53 L59V30-V61 HydrophobicContact CB-CG2 4.45Å; V30-V61 CarbonylContact O-C 3.41Å; V30-V61 WeakPolarHBondContact O-CA 3.31Å; I32-V61 HydrophobicContact CD1-CG1 3.74Å; I32-V61 HydrophobicContact CG1-CG1 4.24Å; L52-V61 HydrophobicContact CB-CG2 4Å; L52-V61 HydrophobicContact CD1-CG2 4.35Å; Q53-V61 HydrophobicContact CG-CG2 4.31Å; L59-V61 PolarHBondContact O-N 2.95Å
62Q92.9Very high86.9Confident89 Ų8981.6 Ų81.642%0.41642%0.417SS..EExtended strand (participates in β ladder)trans-108.3135.1174.6-64.4-176.8-5.400110.5T29 V30 V31 I32T29-Q62 HydrophobicContact CG2-CG 3.93Å; V30-Q62 PolarHBondContact O-N 3.07Å; V31-Q62 CarbonylContact C-O 3.59Å; V31-Q62 WeakPolarHBondContact CA-O 3.49Å; V31-Q62 HydrophobicContact CG2-CB 4.36Å; I32-Q62 PolarHBondContact N-O 3.24Å
63V93.1Very high87.3Confident65 Ų6580.8 Ų80.839%0.39441%0.413SS..EExtended strand (participates in β ladder)trans-115.3120.1177.9-175.80000109.6I32I32-V63 HydrophobicContact CB-CG2 4.45Å; I32-V63 WeakPolarHBondContact O-CA 3.46Å
64N93.6Very high87.7Confident34 Ų3477 Ų7718%0.18240%0.395CS..  trans47.358.6-177.5-57.9-40.6000114.6I32 E33 H34 S66I32-N64 PolarHBondContact O-N 3.48Å; E33-N64 WeakPolarHBondContact CA-OD1 3.21Å; H34-N64 PolarHBondContact CD2-ND2 3.44Å; H34-N64 PolarHBondContact N-OD1 3.23Å; H34-N64 PolarHBondContact NE2-ND2 3.09Å; H34-N64 PolarHBondContact O-OD1 3.48Å; N64-S66 PolarHBondContact O-N 2.86Å
65P91Very high88Confident76 Ų7670 Ų7049%0.49436%0.358SS..SBendtrans-62.5-15.4175.628.2-36.2000112.9V31V31-P65 HydrophobicContact CG1-CG 3.58Å
66S89.7Confident88.5Confident87 Ų8765.9 Ų65.961%0.60834%0.34SS*.SBendtrans-137.6165.9174.4-74.90000110.3N64 P68N64-S66 PolarHBondContact O-N 2.86Å; S66-P68 VanDerWaalsContact O-CD 3.26Å; S66-P68 WeakPolarHBondContact O-CD 3.41Å; S66-P68 VanDerWaalsContact O-N 3.11Å
67K89.6Confident89Confident202 Ų20265 Ų6588%0.87833%0.331SS*.  trans-60.7115.4-179.1-174.4173.6-177.1174.50110.4
68P91.2Very high89.3Confident23 Ų2363 Ų6315%0.14931%0.314CS..PPolyproline II helixtrans-77.5156.2-170.229.6-34.5000112.3E33 H34 T36 S66E33-P68 HydrophobicContact CG-CB 3.41Å; E33-P68 VanDerWaalsContact CG-CB 3.41Å; H34-P68 WeakPolarHBondContact O-CB 3.34Å; H34-P68 WeakPolarHBondContact O-CG 3.38Å; T36-P68 HydrophobicContact CG2-CG 3.75Å; S66-P68 VanDerWaalsContact O-CD 3.26Å; S66-P68 WeakPolarHBondContact O-CD 3.41Å; S66-P68 VanDerWaalsContact O-N 3.11Å
69R88.8Confident89.6Confident164 Ų16462.2 Ų62.262%0.61931%0.306SS*.PPolyproline II helixtrans-69.9150.2175.8-170.2-179.3-159.1-83.12.5111.3E33 G71 S72E33-R69 PolarHBondContact OE1-N 2.92Å; R69-G71 PolarHBondContact O-N 2.91Å; R69-S72 PolarHBondContact N-OG 3.34Å; R69-S72 PolarHBondContact O-N 3.33Å; R69-S72 PolarHBondContact O-OG 2.89Å
70R86.6Confident89.5Confident218 Ų21865.1 Ų65.182%0.82333%0.328SS*.THydrogen-bonded Turntrans-65.2126.9174.7-171.5173.9178.2-118.21.4110.2S72R70-S72 VanDerWaalsContact C-N 3.26Å; R70-S72 PolarHBondContact O-N 3.26Å
71G86.1Confident89.1Confident19 Ų1966.8 Ų66.820%0.19633%0.333CS..THydrogen-bonded Turntrans71.613.1179.500000115C35 R69 K100C35-G71 PolarHBondContact SG-N 2.8Å; R69-G71 PolarHBondContact O-N 2.91Å; G71-K100 PolarHBondContact O-NZ 3.24Å
72S89.1Confident88.6Confident0 Ų072.6 Ų72.60%036%0.364CS..  trans-79.8144.5173.760.50000111.8E33 H34 C35 Y41 R69 R70E33-S72 WeakPolarHBondContact OE1-CB 3.14Å; E33-S72 PolarHBondContact OE1-OG 3.31Å; H34-S72 CarbonylContact C-O 3.52Å; H34-S72 WeakPolarHBondContact CA-O 3.35Å; C35-S72 PolarHBondContact N-O 2.85Å; Y41-S72 WeakPolarHBondContact CD1-O 3.5Å; Y41-S72 WeakPolarHBondContact CE1-O 3.43Å; R69-S72 PolarHBondContact N-OG 3.34Å; R69-S72 PolarHBondContact O-N 3.33Å; R69-S72 PolarHBondContact O-OG 2.89Å; R70-S72 VanDerWaalsContact C-N 3.26Å; R70-S72 PolarHBondContact O-N 3.26Å
73F92.8Very high88.1Confident1 Ų170.1 Ų70.10%0.00436%0.356CS..EExtended strand (participates in β ladder)trans-143.390.7163.3-167.3-77.6000105.5I32 E33 H34 Y41 H44 A45 L48 V75 G90 F101 P102I32-F73 HydrophobicContact CG2-CZ 4.45Å; E33-F73 CarbonylContact O-C 3.48Å; E33-F73 VanDerWaalsContact O-CA 3.26Å; E33-F73 WeakPolarHBondContact O-CA 3.15Å; H34-F73 HydrophobicContact CB-CD2 3.89Å; H34-F73 HydrophobicContact CB-CE2 4.21Å; Y41-F73 HydrophobicContact CD1-CB 3.95Å; Y41-F73 AromaticContact CD1-CD2 3.99Å; Y41-F73 HydrophobicContact CD1-CD2 3.99Å; Y41-F73 HydrophobicContact CD1-CG 4.49Å; Y41-F73 HydrophobicContact CE1-CB 3.85Å; Y41-F73 HydrophobicContact CG-CD2 4.28Å; Y41-F73 WeakPolarHBondContact O-CE2 3.12Å; H44-F73 HydrophobicContact CB-CE2 3.79Å; H44-F73 HydrophobicContact CB-CZ 4.03Å; A45-F73 HydrophobicContact CB-CE2 4.02Å; A45-F73 HydrophobicContact CB-CZ 4.38Å; L48-F73 HydrophobicContact CD2-CE1 4.27Å; L48-F73 HydrophobicContact CD2-CZ 4.39Å; F73-V75 HydrophobicContact CE1-CG2 4.14Å; F73-G90 WeakPolarHBondContact O-CA 3.08Å; F73-G90 PolarHBondContact O-N 3.3Å; F73-F101 HydrophobicContact CD1-CD1 4.28Å; F73-F101 AromaticContact CD2-CD1 3.61Å; F73-F101 HydrophobicContact CD2-CD1 3.61Å; F73-F101 AromaticContact CD2-CE1 3.69Å; F73-F101 HydrophobicContact CD2-CE1 3.69Å; F73-F101 HydrophobicContact CE1-CD1 4.44Å; F73-F101 AromaticContact CE2-CD1 3.76Å; F73-F101 HydrophobicContact CE2-CD1 3.76Å; F73-F101 HydrophobicContact CE2-CE1 4.1Å; F73-F101 AromaticContact CG-CD1 3.88Å; F73-F101 HydrophobicContact CG-CD1 3.88Å; F73-F101 HydrophobicContact CG-CE1 4.19Å; F73-F101 HydrophobicContact CZ-CD1 4.19Å; F73-P102 VanDerWaalsContact CE1-CD 3.42Å; F73-P102 HydrophobicContact CE1-CG 4.08Å
74E92.7Very high87.8Confident20 Ų2074.6 Ų74.69%0.09337%0.366CS..EExtended strand (participates in β ladder)trans-116.7141.8-172.6-48-65.2101.400109.1E33 W88 T89 G90 I91E33-E74 HydrophobicContact CB-CB 4.28Å; E33-E74 PolarHBondContact N-O 2.96Å; E33-E74 PolarHBondContact O-N 3.41Å; E74-W88 WeakPolarHBondContact CA-O 3.35Å; E74-T89 VanDerWaalsContact CD-OG1 3.27Å; E74-T89 WeakPolarHBondContact OE1-CA 3.28Å; E74-T89 PolarHBondContact OE1-OG1 2.81Å; E74-T89 VanDerWaalsContact OE1-OG1 3.13Å; E74-T89 WeakPolarHBondContact OE2-CB 3.26Å; E74-T89 PolarHBondContact OE2-OG1 3.33Å; E74-G90 PolarHBondContact OE1-N 3.41Å; E74-I91 WeakPolarHBondContact OE1-CG1 3.29Å; E74-I91 PolarHBondContact OE1-N 3.21Å
75V91.8Very high87.5Confident0 Ų074.8 Ų74.80%037%0.368CS..EExtended strand (participates in β ladder)trans-125.4133.6174.7-168.20000108V30 V31 I32 L48 F73 L87 W88 P102 L107V30-V75 HydrophobicContact CG1-CG1 3.87Å; V31-V75 WeakPolarHBondContact O-CA 3.49Å; I32-V75 HydrophobicContact CG1-CG1 4.36Å; L48-V75 HydrophobicContact CD2-CG2 3.74Å; F73-V75 HydrophobicContact CE1-CG2 4.14Å; V75-L87 HydrophobicContact CB-CB 4.31Å; V75-L87 HydrophobicContact CG1-CB 4.27Å; V75-L87 HydrophobicContact CG1-CD1 4.15Å; V75-L87 PolarHBondContact O-N 2.66Å; V75-W88 HydrophobicContact CB-CB 3.91Å; V75-W88 HydrophobicContact CG2-CB 3.98Å; V75-W88 PolarHBondContact N-O 3.24Å; V75-W88 PolarHBondContact O-N 3.27Å; V75-P102 HydrophobicContact CG2-CG 4.33Å; V75-L107 HydrophobicContact CB-CD2 4.35Å; V75-L107 HydrophobicContact CG1-CD1 3.97Å; V75-L107 HydrophobicContact CG2-CD1 4.47Å; V75-L107 HydrophobicContact CG2-CD2 4.5Å
76T90.5Very high87.4Confident2 Ų275.9 Ų75.91%0.01237%0.367CS..EExtended strand (participates in β ladder)trans-143137.5-170.3-73.50000110V30 V31 L78 R84 V85V30-T76 CarbonylContact C-O 3.54Å; V30-T76 WeakPolarHBondContact CA-O 3.44Å; V31-T76 PolarHBondContact N-O 3.04Å; V31-T76 PolarHBondContact O-N 2.78Å; T76-L78 HydrophobicContact CG2-CD2 4.11Å; T76-R84 HydrophobicContact CG2-CG 3.2Å; T76-R84 PolarHBondContact OG1-NE 3.38Å; T76-R84 PolarHBondContact OG1-NH2 2.97Å; T76-V85 CarbonylContact C-O 3.54Å; T76-V85 VanDerWaalsContact CA-O 3.27Å; T76-V85 WeakPolarHBondContact CA-O 3.34Å
77L89.5Confident87.3Confident11 Ų1173 Ų736%0.05835%0.345CS..EExtended strand (participates in β ladder)trans-96124.2167.3-167.269000108.8A28 V30 R84 V85 L87 V109A28-L77 HydrophobicContact CB-CD1 3.98Å; A28-L77 HydrophobicContact CB-CG 4.3Å; V30-L77 HydrophobicContact CG2-CD1 3.67Å; L77-R84 WeakPolarHBondContact O-CA 3.43Å; L77-V85 HydrophobicContact CB-CB 4.21Å; L77-V85 PolarHBondContact N-O 2.93Å; L77-V85 PolarHBondContact O-N 3.38Å; L77-L87 HydrophobicContact CB-CD1 4.05Å; L77-L87 HydrophobicContact CB-CD2 4.3Å; L77-L87 HydrophobicContact CB-CG 4.15Å; L77-V109 HydrophobicContact CD2-CB 4.5Å; L77-V109 HydrophobicContact CD2-CG1 4.49Å
78L88.3Confident87.3Confident63 Ų6364.5 Ų64.533%0.3331%0.307SS..EExtended strand (participates in β ladder)trans-96.5125166.8-62.1-179.7000107.5A28 T29 V31 T76 R84A28-L78 CarbonylContact C-O 3.37Å; A28-L78 WeakPolarHBondContact CA-O 3.41Å; T29-L78 PolarHBondContact N-O 3.13Å; T29-L78 PolarHBondContact O-N 2.92Å; V31-L78 HydrophobicContact CG2-CD1 3.53Å; V31-L78 HydrophobicContact CG2-CG 3.89Å; T76-L78 HydrophobicContact CG2-CD2 4.11Å; L78-R84 HydrophobicContact CD2-CB 4.22Å; L78-R84 HydrophobicContact CD2-CG 4.09Å
79R85.4Confident87.3Confident111 Ų11164 Ų6442%0.41930%0.304SS..PPolyproline II helixtrans-102.2162.3177.8-178.5-171.5-67.1-178.7-3.1110.5G27 D81 N82 S83 P110G27-R79 CarbonylContact O-C 3.4Å; R79-D81 WeakPolarHBondContact CB-OD1 3.37Å; R79-D81 WeakPolarHBondContact CD-OD1 3.31Å; R79-D81 WeakPolarHBondContact CG-OD1 3.39Å; R79-D81 PolarHBondContact O-N 2.77Å; R79-D81 VanDerWaalsContact O-N 3.11Å; R79-N82 WeakPolarHBondContact O-CA 3.32Å; R79-N82 PolarHBondContact O-N 3.42Å; R79-S83 PolarHBondContact N-O 2.95Å; R79-P110 PolarHBondContact NH2-O 3.31Å
80S79.8Confident87.2Confident88 Ų8856.2 Ų56.262%0.61527%0.274SS*.THydrogen-bonded Turntrans-51-29.6176.7-57.70000115.1E26 G27 N82E26-S80 PolarHBondContact O-OG 2.89Å; G27-S80 VanDerWaalsContact C-OG 3.26Å; G27-S80 WeakPolarHBondContact CA-OG 3.14Å; G27-S80 PolarHBondContact N-OG 3.17Å; G27-S80 WeakPolarHBondContact O-CA 2.99Å; G27-S80 PolarHBondContact O-N 3.18Å; G27-S80 PolarHBondContact O-OG 3.07Å; S80-N82 PolarHBondContact O-N 2.78Å
81D79.4Confident87.1Confident98 Ų9849.2 Ų49.252%0.52425%0.252SS..THydrogen-bonded Turntrans-80.311.7177.469.6-38.9000112.8R79 S83R79-D81 WeakPolarHBondContact CB-OD1 3.37Å; R79-D81 WeakPolarHBondContact CD-OD1 3.31Å; R79-D81 WeakPolarHBondContact CG-OD1 3.39Å; R79-D81 PolarHBondContact O-N 2.77Å; R79-D81 VanDerWaalsContact O-N 3.11Å; D81-S83 PolarHBondContact O-N 3.13Å; D81-S83 VanDerWaalsContact O-N 3.16Å; D81-S83 WeakPolarHBondContact OD1-CB 3.27Å; D81-S83 PolarHBondContact OD1-N 3.39Å; D81-S83 PolarHBondContact OD1-OG 3.32Å; D81-S83 WeakPolarHBondContact OD2-CB 3.26Å; D81-S83 PolarHBondContact OD2-OG 3.33Å
82N78.1Confident86.8Confident154 Ų15455.5 Ų55.582%0.82427%0.274SS*.SBendtrans60.816.9-174.3-153.738000113.1R79 S80R79-N82 WeakPolarHBondContact O-CA 3.32Å; R79-N82 PolarHBondContact O-N 3.42Å; S80-N82 PolarHBondContact O-N 2.78Å
83S83.1Confident86.5Confident36 Ų3659.9 Ų59.925%0.25229%0.293SS..  trans-78.4145.9172.270.60000110.7R79 D81R79-S83 PolarHBondContact N-O 2.95Å; D81-S83 PolarHBondContact O-N 3.13Å; D81-S83 VanDerWaalsContact O-N 3.16Å; D81-S83 WeakPolarHBondContact OD1-CB 3.27Å; D81-S83 PolarHBondContact OD1-N 3.39Å; D81-S83 PolarHBondContact OD1-OG 3.32Å; D81-S83 WeakPolarHBondContact OD2-CB 3.26Å; D81-S83 PolarHBondContact OD2-OG 3.33Å
84R86Confident85.6Confident159 Ų15961.2 Ų61.260%0.631%0.307SS*.EExtended strand (participates in β ladder)trans-113.8121.5178.7-175.6-174.5172.5155.83.2109.1T76 L77 L78T76-R84 HydrophobicContact CG2-CG 3.2Å; T76-R84 PolarHBondContact OG1-NE 3.38Å; T76-R84 PolarHBondContact OG1-NH2 2.97Å; L77-R84 WeakPolarHBondContact O-CA 3.43Å; L78-R84 HydrophobicContact CD2-CB 4.22Å; L78-R84 HydrophobicContact CD2-CG 4.09Å
85V87.7Confident84.5Confident38 Ų3866.4 Ų66.423%0.2334%0.343CS..EExtended strand (participates in β ladder)trans-106122.2170.7-177.90000109.2T76 L77 L87 P110T76-V85 CarbonylContact C-O 3.54Å; T76-V85 VanDerWaalsContact CA-O 3.27Å; T76-V85 WeakPolarHBondContact CA-O 3.34Å; L77-V85 HydrophobicContact CB-CB 4.21Å; L77-V85 PolarHBondContact N-O 2.93Å; L77-V85 PolarHBondContact O-N 3.38Å; V85-L87 HydrophobicContact CG1-CD2 4.19Å; V85-L87 PolarHBondContact O-N 2.95Å; V85-P110 HydrophobicContact CB-CG 4.47Å; V85-P110 HydrophobicContact CG1-CG 3.59Å; V85-P110 HydrophobicContact CG2-CG 4.37Å
86E89.2Confident84Confident100 Ų10070.3 Ų70.347%0.46737%0.368SS..EExtended strand (participates in β ladder)trans-72.5107.8169.6-178.6178.710600108.7T89 K92E86-T89 VanDerWaalsContact OE1-CG2 3.26Å; E86-T89 WeakPolarHBondContact OE1-CG2 3.49Å; E86-K92 IonicContact OE1-NZ 3.47Å; E86-K92 PolarHBondContact OE1-NZ 3.3Å; E86-K92 IonicContact OE2-NZ 2.77Å; E86-K92 PolarHBondContact OE2-NZ 3.45Å
87L87Confident83.1Confident27 Ų2775.6 Ų75.614%0.14139%0.388CS..EExtended strand (participates in β ladder)trans-83.5-35.8174.4-60.7178.9000110.8V75 L77 V85 L107 S108 V109V75-L87 HydrophobicContact CB-CB 4.31Å; V75-L87 HydrophobicContact CG1-CB 4.27Å; V75-L87 HydrophobicContact CG1-CD1 4.15Å; V75-L87 PolarHBondContact O-N 2.66Å; L77-L87 HydrophobicContact CB-CD1 4.05Å; L77-L87 HydrophobicContact CB-CD2 4.3Å; L77-L87 HydrophobicContact CB-CG 4.15Å; V85-L87 HydrophobicContact CG1-CD2 4.19Å; V85-L87 PolarHBondContact O-N 2.95Å; L87-L107 HydrophobicContact CB-CD2 4.16Å; L87-S108 WeakPolarHBondContact CD2-O 3.43Å; L87-V109 HydrophobicContact CD1-CG1 4.01Å; L87-V109 HydrophobicContact CD2-CG1 4.27Å
88W90.6Very high82.6Confident22 Ų2283.9 Ų83.98%0.08342%0.423CS..EExtended strand (participates in β ladder)trans-154.3143.8179.1-176.1-96.8000112.6E74 V75 K93 L99 K100 P102 E106 L107E74-W88 WeakPolarHBondContact CA-O 3.35Å; V75-W88 HydrophobicContact CB-CB 3.91Å; V75-W88 HydrophobicContact CG2-CB 3.98Å; V75-W88 PolarHBondContact N-O 3.24Å; V75-W88 PolarHBondContact O-N 3.27Å; W88-K93 HydrophobicContact CH2-CD 4.35Å; W88-K93 HydrophobicContact CZ2-CD 4.35Å; W88-K93 HydrophobicContact CZ2-CG 4.23Å; W88-L99 WeakPolarHBondContact CZ2-O 3.37Å; W88-K100 PolarHBondContact NE1-O 3.36Å; W88-P102 HydrophobicContact CB-CG 4.44Å; W88-P102 HydrophobicContact CD2-CB 3.69Å; W88-P102 HydrophobicContact CD2-CG 4.14Å; W88-P102 HydrophobicContact CE3-CB 3.89Å; W88-P102 HydrophobicContact CG-CB 4.02Å; W88-P102 HydrophobicContact CG-CG 3.97Å; W88-P102 HydrophobicContact CH2-CB 4.38Å; W88-P102 HydrophobicContact CZ2-CB 4.25Å; W88-P102 HydrophobicContact CZ3-CB 4.25Å; W88-E106 WeakPolarHBondContact CH2-OE1 3.49Å; W88-E106 HydrophobicContact CZ3-CG 4.33Å; W88-E106 WeakPolarHBondContact CZ3-OE1 3.49Å; W88-L107 HydrophobicContact CB-CD2 3.7Å; W88-L107 HydrophobicContact CG-CD2 4.48Å
89T89.9Confident82.2Confident14 Ų1485.8 Ų85.89%0.08643%0.433CS..EExtended strand (participates in β ladder)trans-130.9113.1168.6177.60000110.8E74 E86 I91 K92 K93E74-T89 VanDerWaalsContact CD-OG1 3.27Å; E74-T89 WeakPolarHBondContact OE1-CA 3.28Å; E74-T89 PolarHBondContact OE1-OG1 2.81Å; E74-T89 VanDerWaalsContact OE1-OG1 3.13Å; E74-T89 WeakPolarHBondContact OE2-CB 3.26Å; E74-T89 PolarHBondContact OE2-OG1 3.33Å; E86-T89 VanDerWaalsContact OE1-CG2 3.26Å; E86-T89 WeakPolarHBondContact OE1-CG2 3.49Å; T89-I91 VanDerWaalsContact C-N 3.29Å; T89-I91 PolarHBondContact OG1-N 3.22Å; T89-K92 HydrophobicContact CG2-CB 3.98Å; T89-K92 HydrophobicContact CG2-CD 3.48Å; T89-K92 VanDerWaalsContact CG2-CD 3.48Å; T89-K92 HydrophobicContact CG2-CG 3.67Å; T89-K93 WeakPolarHBondContact O-CG 3.25Å
90G86.9Confident82Confident0 Ų082 Ų820%042%0.42CS..SBendtrans-74.7-23.5174.200000111.4F73 E74 K92 K93 K100F73-G90 WeakPolarHBondContact O-CA 3.08Å; F73-G90 PolarHBondContact O-N 3.3Å; E74-G90 PolarHBondContact OE1-N 3.41Å; G90-K92 PolarHBondContact O-N 3.19Å; G90-K93 PolarHBondContact O-N 3.16Å; G90-K100 WeakPolarHBondContact CA-O 2.92Å; G90-K100 WeakPolarHBondContact O-CE 3.37Å
91I84.2Confident82.3Confident70 Ų7078.8 Ų78.836%0.35940%0.395SS..SBendtrans-61.9-44.1-178.9-67.5171.3000111.4E74 T89 K93E74-I91 WeakPolarHBondContact OE1-CG1 3.29Å; E74-I91 PolarHBondContact OE1-N 3.21Å; T89-I91 VanDerWaalsContact C-N 3.29Å; T89-I91 PolarHBondContact OG1-N 3.22Å; I91-K93 VanDerWaalsContact C-N 3.25Å; I91-K93 PolarHBondContact O-N 2.91Å
92K80.8Confident82.4Confident151 Ų15174.7 Ų74.766%0.65737%0.373SS*.THydrogen-bonded Turntrans-72.1-17.3-176-57.9-178.2-165.2150.40113.3E86 T89 G90 G94E86-K92 IonicContact OE1-NZ 3.47Å; E86-K92 PolarHBondContact OE1-NZ 3.3Å; E86-K92 IonicContact OE2-NZ 2.77Å; E86-K92 PolarHBondContact OE2-NZ 3.45Å; T89-K92 HydrophobicContact CG2-CB 3.98Å; T89-K92 HydrophobicContact CG2-CD 3.48Å; T89-K92 VanDerWaalsContact CG2-CD 3.48Å; T89-K92 HydrophobicContact CG2-CG 3.67Å; G90-K92 PolarHBondContact O-N 3.19Å; K92-G94 VanDerWaalsContact C-N 3.25Å; K92-G94 PolarHBondContact O-N 2.89Å
93K81.9Confident82.4Confident93 Ų9373 Ų7340%0.40436%0.36SS..THydrogen-bonded Turntrans-79-2.5-175.4-61.4-82.3-177.5165.50114.2W88 T89 G90 I91 L99 K100W88-K93 HydrophobicContact CH2-CD 4.35Å; W88-K93 HydrophobicContact CZ2-CD 4.35Å; W88-K93 HydrophobicContact CZ2-CG 4.23Å; T89-K93 WeakPolarHBondContact O-CG 3.25Å; G90-K93 PolarHBondContact O-N 3.16Å; I91-K93 VanDerWaalsContact C-N 3.25Å; I91-K93 PolarHBondContact O-N 2.91Å; K93-L99 HydrophobicContact CB-CB 4.39Å; K93-L99 WeakPolarHBondContact CB-O 2.81Å; K93-L99 VanDerWaalsContact CG-O 3.31Å; K93-L99 WeakPolarHBondContact CG-O 3.47Å; K93-K100 HydrophobicContact CB-CG 4.35Å
94G74.2Confident81.7Confident29 Ų2973.4 Ų73.430%0.29936%0.363SS..  trans59.5-168.5174.500000114.4K92K92-G94 VanDerWaalsContact C-N 3.25Å; K92-G94 PolarHBondContact O-N 2.89Å
95P69.9Low80.6Confident129 Ų12972 Ų7284%0.83836%0.363SS*.SBendtrans-71.3139.4155-2.720.6000108.3
96P82.3Confident79.6Confident81 Ų8175.4 Ų75.453%0.52638%0.376SS..  cis-84.8147.712.3-15.332.7000115.8K98 L99P96-K98 PolarHBondContact O-N 2.89Å; P96-L99 PolarHBondContact O-N 2.92Å; P96-L99 VanDerWaalsContact O-N 3.11Å
97R71.8Confident78.5Confident114 Ų11471.1 Ų71.143%0.4336%0.357SS..G310 helixtrans-57.2-28.4-175.3-168.3179-175.115517114.7Y41 L99 K100 F101Y41-R97 VanDerWaalsContact CD2-NH2 3.29Å; Y41-R97 HydrophobicContact CE2-CG 4.25Å; Y41-R97 VanDerWaalsContact CE2-NH2 3.32Å; R97-L99 VanDerWaalsContact C-N 3.27Å; R97-L99 PolarHBondContact O-N 3.13Å; R97-K100 WeakPolarHBondContact O-CB 3.45Å; R97-K100 PolarHBondContact O-N 2.85Å; R97-F101 HydrophobicContact CG-CE2 4.11Å; R97-F101 HydrophobicContact CG-CZ 4.33Å; R97-F101 WeakPolarHBondContact O-CD2 3.1Å; R97-F101 VanDerWaalsContact O-CE2 3.23Å; R97-F101 WeakPolarHBondContact O-CE2 3.48Å
98K78.9Confident77.1Confident184 Ų18474.2 Ų74.280%0.838%0.38SS*.G310 helixtrans-62.4-34.9-179.7-65.5-177.6-179.1-178.60112.1P96 K100P96-K98 PolarHBondContact O-N 2.89Å; K98-K100 PolarHBondContact O-N 3.18Å
99L79.3Confident75.5Confident104 Ų10474.8 Ų74.855%0.54539%0.386SS..G310 helixtrans-77-3.2-179-58-179.3000113.5W88 K93 P96 R97 F101W88-L99 WeakPolarHBondContact CZ2-O 3.37Å; K93-L99 HydrophobicContact CB-CB 4.39Å; K93-L99 WeakPolarHBondContact CB-O 2.81Å; K93-L99 VanDerWaalsContact CG-O 3.31Å; K93-L99 WeakPolarHBondContact CG-O 3.47Å; P96-L99 PolarHBondContact O-N 2.92Å; P96-L99 VanDerWaalsContact O-N 3.11Å; R97-L99 VanDerWaalsContact C-N 3.27Å; R97-L99 PolarHBondContact O-N 3.13Å; L99-F101 VanDerWaalsContact C-N 3.33Å
100K81.6Confident73.5Confident30 Ų3077.1 Ų77.113%0.1340%0.402CS..G310 helixtrans-86.2-8.3-179.1-56.9-170.273.1-1700112.7Y41 G71 W88 G90 K93 R97 K98Y41-K100 VanDerWaalsContact OH-CD 3.29Å; Y41-K100 WeakPolarHBondContact OH-CD 3.17Å; Y41-K100 VanDerWaalsContact OH-CE 3.25Å; Y41-K100 WeakPolarHBondContact OH-CE 3.43Å; Y41-K100 PolarHBondContact OH-NZ 2.84Å; G71-K100 PolarHBondContact O-NZ 3.24Å; W88-K100 PolarHBondContact NE1-O 3.36Å; G90-K100 WeakPolarHBondContact CA-O 2.92Å; G90-K100 WeakPolarHBondContact O-CE 3.37Å; K93-K100 HydrophobicContact CB-CG 4.35Å; R97-K100 WeakPolarHBondContact O-CB 3.45Å; R97-K100 PolarHBondContact O-N 2.85Å; K98-K100 PolarHBondContact O-N 3.18Å
101F84.8Confident71.7Confident21 Ų2179.9 Ų79.99%0.09243%0.43CS..SBendtrans-112128-179.5-49.6-68.2000108.8V40 Y41 H44 F73 R97 L99V40-F101 HydrophobicContact CG1-CE2 3.93Å; V40-F101 HydrophobicContact CG1-CZ 3.71Å; Y41-F101 HydrophobicContact CD1-CE1 4.31Å; Y41-F101 AromaticContact CD2-CE1 3.5Å; Y41-F101 HydrophobicContact CD2-CE1 3.5Å; Y41-F101 AromaticContact CD2-CZ 3.38Å; Y41-F101 HydrophobicContact CD2-CZ 3.38Å; Y41-F101 AromaticContact CE2-CE1 3.72Å; Y41-F101 HydrophobicContact CE2-CE1 3.72Å; Y41-F101 AromaticContact CE2-CZ 3.39Å; Y41-F101 HydrophobicContact CE2-CZ 3.39Å; Y41-F101 AromaticContact CG-CE1 3.81Å; Y41-F101 HydrophobicContact CG-CE1 3.81Å; Y41-F101 HydrophobicContact CG-CZ 4.18Å; H44-F101 HydrophobicContact CB-CB 4.41Å; H44-F101 HydrophobicContact CB-CD1 3.58Å; H44-F101 HydrophobicContact CB-CE1 4.04Å; H44-F101 HydrophobicContact CB-CG 4.05Å; H44-F101 AromaticContact CD2-CD1 3.72Å; H44-F101 AromaticContact CD2-CD2 3.64Å; H44-F101 AromaticContact CD2-CE1 3.78Å; H44-F101 AromaticContact CD2-CE2 3.67Å; H44-F101 AromaticContact CD2-CG 3.64Å; H44-F101 AromaticContact CD2-CZ 3.74Å; H44-F101 AromaticContact CE1-CD2 3.95Å; H44-F101 AromaticContact CG-CD1 3.6Å; H44-F101 AromaticContact CG-CG 3.59Å; H44-F101 AromaticContact ND1-CG 3.83Å; H44-F101 AromaticContact NE2-CD2 3.6Å; H44-F101 AromaticContact NE2-CE2 3.79Å; H44-F101 AromaticContact NE2-CG 3.95Å; F73-F101 HydrophobicContact CD1-CD1 4.28Å; F73-F101 AromaticContact CD2-CD1 3.61Å; F73-F101 HydrophobicContact CD2-CD1 3.61Å; F73-F101 AromaticContact CD2-CE1 3.69Å; F73-F101 HydrophobicContact CD2-CE1 3.69Å; F73-F101 HydrophobicContact CE1-CD1 4.44Å; F73-F101 AromaticContact CE2-CD1 3.76Å; F73-F101 HydrophobicContact CE2-CD1 3.76Å; F73-F101 HydrophobicContact CE2-CE1 4.1Å; F73-F101 AromaticContact CG-CD1 3.88Å; F73-F101 HydrophobicContact CG-CD1 3.88Å; F73-F101 HydrophobicContact CG-CE1 4.19Å; F73-F101 HydrophobicContact CZ-CD1 4.19Å; R97-F101 HydrophobicContact CG-CE2 4.11Å; R97-F101 HydrophobicContact CG-CZ 4.33Å; R97-F101 WeakPolarHBondContact O-CD2 3.1Å; R97-F101 VanDerWaalsContact O-CE2 3.23Å; R97-F101 WeakPolarHBondContact O-CE2 3.48Å; L99-F101 VanDerWaalsContact C-N 3.33Å
102P82.6Confident70Confident12 Ų1281.1 Ų81.18%0.07844%0.437CS..  trans-72.6152.8173.531.3-30.6000109.4L48 F73 V75 W88 L107L48-P102 HydrophobicContact CD2-CG 4.08Å; F73-P102 VanDerWaalsContact CE1-CD 3.42Å; F73-P102 HydrophobicContact CE1-CG 4.08Å; V75-P102 HydrophobicContact CG2-CG 4.33Å; W88-P102 HydrophobicContact CB-CG 4.44Å; W88-P102 HydrophobicContact CD2-CB 3.69Å; W88-P102 HydrophobicContact CD2-CG 4.14Å; W88-P102 HydrophobicContact CE3-CB 3.89Å; W88-P102 HydrophobicContact CG-CB 4.02Å; W88-P102 HydrophobicContact CG-CG 3.97Å; W88-P102 HydrophobicContact CH2-CB 4.38Å; W88-P102 HydrophobicContact CZ2-CB 4.25Å; W88-P102 HydrophobicContact CZ3-CB 4.25Å; P102-L107 HydrophobicContact CB-CD2 3.8Å; P102-L107 HydrophobicContact CB-CG 4.17Å; P102-L107 HydrophobicContact CG-CD1 4.46Å; P102-L107 HydrophobicContact CG-CD2 4.01Å; P102-L107 HydrophobicContact CG-CG 4.38Å
103E78.3Confident68.4Low118 Ų11878.6 Ų78.655%0.55143%0.434SS*.  trans-76.7147.6155.6-62.3-161.571.500109Q105 E106E103-Q105 HydrophobicContact CB-CG 3.69Å; E103-Q105 PolarHBondContact O-N 2.7Å; E103-Q105 PolarHBondContact OE1-NE2 2.83Å; E103-E106 WeakPolarHBondContact O-CB 3.23Å; E103-E106 PolarHBondContact O-N 3.08Å
104P68.3Low66.4Low46 Ų4681.2 Ų81.230%0.29945%0.448SS..G310 helixtrans-52.1-41178.9-25.934.1000112.5L48 A51 E106 L107L48-P104 HydrophobicContact CD1-CB 4.19Å; L48-P104 HydrophobicContact CD1-CG 4.21Å; A51-P104 HydrophobicContact CB-CB 3.81Å; A51-P104 HydrophobicContact CB-CG 3.76Å; P104-E106 VanDerWaalsContact C-N 3.25Å; P104-E106 PolarHBondContact O-N 3.04Å; P104-L107 PolarHBondContact O-N 3.49Å
105Q62.3Low65.1Low130 Ų13082.7 Ų82.761%0.60746%0.457SS*.G310 helixtrans-63.1-18.8176.259.5-170.9-49.900115.6E103E103-Q105 HydrophobicContact CB-CG 3.69Å; E103-Q105 PolarHBondContact O-N 2.7Å; E103-Q105 PolarHBondContact OE1-NE2 2.83Å
106E66.4Low63.7Low108 Ų10880.9 Ų80.951%0.50544%0.436SS..G310 helixtrans-88-11.8-176.8-163.117448.700112.4W88 E103 P104 S108W88-E106 WeakPolarHBondContact CH2-OE1 3.49Å; W88-E106 HydrophobicContact CZ3-CG 4.33Å; W88-E106 WeakPolarHBondContact CZ3-OE1 3.49Å; E103-E106 WeakPolarHBondContact O-CB 3.23Å; E103-E106 PolarHBondContact O-N 3.08Å; P104-E106 VanDerWaalsContact C-N 3.25Å; P104-E106 PolarHBondContact O-N 3.04Å; E106-S108 PolarHBondContact O-N 3.37Å
107L67.1Low62Low11 Ų1183.9 Ų83.96%0.05845%0.445CS..  trans-83.284-179.9-62.2-178.2000111.2L48 V75 L87 W88 P102 P104 V109L48-L107 HydrophobicContact CD1-CD1 3.71Å; L48-L107 HydrophobicContact CD2-CD1 3.93Å; L48-L107 HydrophobicContact CG-CD1 4.26Å; V75-L107 HydrophobicContact CB-CD2 4.35Å; V75-L107 HydrophobicContact CG1-CD1 3.97Å; V75-L107 HydrophobicContact CG2-CD1 4.47Å; V75-L107 HydrophobicContact CG2-CD2 4.5Å; L87-L107 HydrophobicContact CB-CD2 4.16Å; W88-L107 HydrophobicContact CB-CD2 3.7Å; W88-L107 HydrophobicContact CG-CD2 4.48Å; P102-L107 HydrophobicContact CB-CD2 3.8Å; P102-L107 HydrophobicContact CB-CG 4.17Å; P102-L107 HydrophobicContact CG-CD1 4.46Å; P102-L107 HydrophobicContact CG-CD2 4.01Å; P102-L107 HydrophobicContact CG-CG 4.38Å; P104-L107 PolarHBondContact O-N 3.49Å; L107-V109 PolarHBondContact O-N 3.47Å; L107-V109 VanDerWaalsContact O-N 3.17Å
108S58.1Low60.6Low91 Ų9185.2 Ų85.264%0.63646%0.458SS*.  trans-70.9108.1172.4-170.60000110.2L87 E106 P110L87-S108 WeakPolarHBondContact CD2-O 3.43Å; E106-S108 PolarHBondContact O-N 3.37Å; S108-P110 VanDerWaalsContact O-CD 3.31Å; S108-P110 WeakPolarHBondContact O-CD 3.47Å
109V56.8Low59.2Low35 Ų3582 Ų8221%0.21245%0.453CS..  trans-76115.4169.4-71.30000109.1L77 L87 L107 G111L77-V109 HydrophobicContact CD2-CB 4.5Å; L77-V109 HydrophobicContact CD2-CG1 4.49Å; L87-V109 HydrophobicContact CD1-CG1 4.01Å; L87-V109 HydrophobicContact CD2-CG1 4.27Å; L107-V109 PolarHBondContact O-N 3.47Å; L107-V109 VanDerWaalsContact O-N 3.17Å; V109-G111 PolarHBondContact O-N 3.33Å
110P48Very low57.7Low63 Ų6382.9 Ų82.941%0.40945%0.454SS..THydrogen-bonded Turntrans-77.692.5179.929-29.7000109.3R79 V85 S108R79-P110 PolarHBondContact NH2-O 3.31Å; V85-P110 HydrophobicContact CB-CG 4.47Å; V85-P110 HydrophobicContact CG1-CG 3.59Å; V85-P110 HydrophobicContact CG2-CG 4.37Å; S108-P110 VanDerWaalsContact O-CD 3.31Å; S108-P110 WeakPolarHBondContact O-CD 3.47Å
111G48.3Very low55.7Low57 Ų5784.2 Ų84.259%0.58848%0.477SS*.THydrogen-bonded Turntrans172.5-33.8178.700000113.2V109V109-G111 PolarHBondContact O-N 3.33Å
112D48.2Very low53.9Low97 Ų9792.1 Ų92.152%0.51951%0.514SS..  trans-131.649.3-166.4-59.2-79.9000112.1E114 A115 F116D112-E114 PolarHBondContact O-N 3.23Å; D112-E114 VanDerWaalsContact O-N 3.07Å; D112-A115 HydrophobicContact CB-CB 4.28Å; D112-A115 PolarHBondContact O-N 3.23Å; D112-F116 PolarHBondContact O-N 3.41Å
113V47Very low51.9Low97 Ų97101 Ų10159%0.58857%0.568SS**Hα-helixtrans-60.2-13.4170.1-64.90000112.4M117V113-M117 WeakPolarHBondContact O-CB 3.43Å; V113-M117 VanDerWaalsContact O-CG 3.27Å; V113-M117 WeakPolarHBondContact O-CG 3.31Å
114E41.2Very low50.5Low148 Ų148100.2 Ų100.269%0.69257%0.569SS**Hα-helixtrans-81.9-42.8173.4-108.6179.788.700113.5D112 M118D112-E114 PolarHBondContact O-N 3.23Å; D112-E114 VanDerWaalsContact O-N 3.07Å; E114-M118 WeakPolarHBondContact O-CG 3.34Å; E114-M118 PolarHBondContact O-N 2.96Å
115A45.4Very low49.6Very low60 Ų60103 Ų10350%0.49658%0.584SS.*Hα-helixtrans-72.8-36.9-178.300000112.3D112 M118D112-A115 HydrophobicContact CB-CB 4.28Å; D112-A115 PolarHBondContact O-N 3.23Å; A115-M118 PolarHBondContact O-N 3.26Å
116F42.4Very low48.9Very low91 Ų91101.5 Ų101.540%0.39958%0.582SS.*Hα-helixtrans-74.1-29.3178.4-158.3-98.3000112.6D112D112-F116 PolarHBondContact O-N 3.41Å
117M44.8Very low47.9Very low145 Ų145101.1 Ų101.171%0.71459%0.587SS**Hα-helixtrans-77.6-19.4172.8-78.4-167.5-168.300113.9V113V113-M117 WeakPolarHBondContact O-CB 3.43Å; V113-M117 VanDerWaalsContact O-CG 3.27Å; V113-M117 WeakPolarHBondContact O-CG 3.31Å
118M42.6Very low46.7Very low141 Ų141106.8 Ų106.870%0.69562%0.62SS**Hα-helixtrans-82.1-23.7-179-79.9-176.6-174.200114.4E114 A115E114-M118 WeakPolarHBondContact O-CG 3.34Å; E114-M118 PolarHBondContact O-N 2.96Å; A115-M118 PolarHBondContact O-N 3.26Å
119V49.2Very low45.9Very low116 Ų116107.8 Ų107.870%0.70362%0.619SS**Hα-helixtrans-81.6-28.5178.5-179.90000112.4
120H48.1Very low45.1Very low123 Ų123113 Ų11357%0.56965%0.648SS**THydrogen-bonded Turntrans-101.436175.3-69.4-71.2000113Q122H120-Q122 PolarHBondContact O-N 3.11Å
121G39.6Very low44.9Very low59 Ų59116.8 Ų116.861%0.60867%0.666SS**  trans-57.680.6161.400000110.5T123G121-T123 PolarHBondContact O-N 3.05Å; G121-T123 VanDerWaalsContact O-N 3.08Å
122Q48.1Very low44.6Very low186 Ų186121.8 Ų121.887%0.86967%0.673SS**  trans-63.7103.5160.1-128.4158.486.500105.5H120H120-Q122 PolarHBondContact O-N 3.11Å
123T38.9Very low44.3Very low199 Ų199124.1 Ų124.1100%1.22169%0.687SS**  trans-58.50155.4147.50000110.2G121G121-T123 PolarHBondContact O-N 3.05Å; G121-T123 VanDerWaalsContact O-N 3.08Å

Retrieved 123 of 123 residues in 221.1 ms (Link to these results)