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Eukaryotic translation initiation factor 4H

Stimulates the RNA helicase activity of EIF4A in the translation initiation complex. Binds weakly mRNA.

AlphaFold DB , UniProt , Accession X2JE34, Species DROME (Drosophila melanogaster, Fruit fly), Gene eIF4H1, Length 317 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
1M42Very low44.2Very low235 Ų235128 Ų128100%1.15876%0.764SS**  0123.50-56.3-160.1176.600107.4T3M1-T3 PolarHBondContact O-N 3.49Å
2P40.3Very low44.6Very low128 Ų128126.8 Ų126.883%0.83177%0.767SS**  trans-79118.4174.129.4-27.8000109.3I4P2-I4 PolarHBondContact O-N 3.25Å
3T46.7Very low45.2Very low135 Ų135125.4 Ų125.483%0.82874%0.744SS**  trans-61.4117.2168.3-68.20000108.6M1 G5M1-T3 PolarHBondContact O-N 3.49Å; T3-G5 VanDerWaalsContact C-N 3.35Å; T3-G5 PolarHBondContact O-N 3.46Å
4I44.5Very low45.7Very low132 Ų132129.6 Ų129.668%0.67775%0.752SS**  trans-7295.5172.9-59.3167.5000107.1P2 F6P2-I4 PolarHBondContact O-N 3.25Å; I4-F6 HydrophobicContact CG2-CD2 3.43Å; I4-F6 VanDerWaalsContact CG2-CD2 3.43Å; I4-F6 HydrophobicContact CG2-CE2 3.22Å; I4-F6 HydrophobicContact CG2-CG 4.34Å; I4-F6 HydrophobicContact CG2-CZ 3.99Å; I4-F6 PolarHBondContact O-N 3.05Å
5G40.5Very low46.4Very low68 Ų68123.9 Ų123.970%0.70172%0.718SS**  trans-73.586.2172.800000110.8T3 G7T3-G5 VanDerWaalsContact C-N 3.35Å; T3-G5 PolarHBondContact O-N 3.46Å; G5-G7 PolarHBondContact O-N 3.44Å; G5-G7 VanDerWaalsContact O-N 3.15Å
6F41.8Very low47Very low191 Ų191118.2 Ų118.284%0.83869%0.686SS**  trans-8262.6156.8-72.3-73.6000108.9I4I4-F6 HydrophobicContact CG2-CD2 3.43Å; I4-F6 VanDerWaalsContact CG2-CD2 3.43Å; I4-F6 HydrophobicContact CG2-CE2 3.22Å; I4-F6 HydrophobicContact CG2-CG 4.34Å; I4-F6 HydrophobicContact CG2-CZ 3.99Å; I4-F6 PolarHBondContact O-N 3.05Å
7G40.9Very low47.7Very low57 Ų57118.7 Ų118.759%0.58869%0.692SS**  trans-125.665.5177.400000108.8G5 D9G5-G7 PolarHBondContact O-N 3.44Å; G5-G7 VanDerWaalsContact O-N 3.15Å; G7-D9 PolarHBondContact O-N 3.42Å
8G42.3Very low48.3Very low63 Ų63120.9 Ų120.965%0.64969%0.694SS**  trans-64.7119.5162.500000106.8R10G8-R10 VanDerWaalsContact C-N 3.32Å; G8-R10 PolarHBondContact O-N 3.28Å
9D45.2Very low49.1Very low163 Ų163119.6 Ų119.687%0.87269%0.69SS**  trans-43.794.9176-59.9-97.7000110G7 A11G7-D9 PolarHBondContact O-N 3.42Å; D9-A11 PolarHBondContact O-N 3.35Å
10R55.9Low50.1Low152 Ų152115.2 Ų115.257%0.57467%0.666SS**  trans-72.291173.1-75.8-174.7169.4121-1.8105G8 S12 D81G8-R10 VanDerWaalsContact C-N 3.32Å; G8-R10 PolarHBondContact O-N 3.28Å; R10-S12 PolarHBondContact O-N 3.31Å; R10-D81 VanDerWaalsContact CZ-CG 3.4Å; R10-D81 IonicContact CZ-OD1 2.89Å; R10-D81 IonicContact CZ-OD2 3.49Å; R10-D81 IonicContact NE-OD1 3.91Å; R10-D81 IonicContact NE-OD2 3.98Å; R10-D81 IonicContact NH1-OD1 2.75Å; R10-D81 PolarHBondContact NH1-OD1 2.8Å; R10-D81 IonicContact NH2-OD1 2.59Å; R10-D81 PolarHBondContact NH2-OD1 2.85Å; R10-D81 IonicContact NH2-OD2 2.89Å; R10-D81 PolarHBondContact NH2-OD2 2.78Å
11A46.3Very low51.6Low84 Ų84110.6 Ų110.669%0.69464%0.638SS**  trans-42.5110.4163.400000106.4D9 K13D9-A11 PolarHBondContact O-N 3.35Å; A11-K13 PolarHBondContact O-N 2.72Å
12S48.8Very low53.5Low113 Ų113101.2 Ų101.279%0.7959%0.593SS**  trans-58.181.8168.948.80000106.5R10 Q14R10-S12 PolarHBondContact O-N 3.31Å; S12-Q14 PolarHBondContact O-N 3.39Å; S12-Q14 VanDerWaalsContact O-N 3.13Å
13K53Low55.7Low109 Ų10995.1 Ų95.147%0.47455%0.553SS.*PPolyproline II helixtrans-57.1121.4169.8-84176-175.9168.40104.5A11 L15 D96 I97A11-K13 PolarHBondContact O-N 2.72Å; K13-L15 PolarHBondContact O-N 3.47Å; K13-D96 IonicContact NZ-OD1 2.83Å; K13-D96 PolarHBondContact NZ-OD1 2.79Å; K13-I97 HydrophobicContact CB-CB 4.46Å; K13-I97 HydrophobicContact CB-CD1 3.99Å; K13-I97 WeakPolarHBondContact O-CD1 3.44Å
14Q51.2Low57.6Low184 Ų18490.7 Ų90.786%0.8652%0.522SS*.PPolyproline II helixtrans-56127.5-177.9-63.4-17823.300108S12S12-Q14 PolarHBondContact O-N 3.39Å; S12-Q14 VanDerWaalsContact O-N 3.13Å
15L56.2Low59.5Low44 Ų4484.4 Ų84.423%0.2349%0.49CS..PPolyproline II helixtrans-57.3123.9-178.7-63.6166.5000107.6K13 T17 L71 L74 L78 I97K13-L15 PolarHBondContact O-N 3.47Å; L15-T17 PolarHBondContact O-N 3.44Å; L15-T17 VanDerWaalsContact O-N 3.14Å; L15-L71 HydrophobicContact CB-CD1 3.79Å; L15-L71 HydrophobicContact CB-CG 4.21Å; L15-L71 HydrophobicContact CD1-CD1 4.11Å; L15-L71 HydrophobicContact CD1-CD2 3.62Å; L15-L71 HydrophobicContact CD1-CG 3.92Å; L15-L74 HydrophobicContact CD2-CD2 3.76Å; L15-L74 HydrophobicContact CD2-CG 4.12Å; L15-L78 HydrophobicContact CD2-CD1 4.15Å; L15-I97 HydrophobicContact CD2-CD1 3.69Å; L15-I97 HydrophobicContact CD2-CG1 4.44Å
16P56.7Low61.5Low33 Ų3381.4 Ų81.421%0.21446%0.459CS..PPolyproline II helixtrans-58.2123.2173.722.4-30000107.6E18 F21P16-E18 PolarHBondContact O-N 2.68Å; P16-F21 WeakPolarHBondContact O-CD1 3.12Å; P16-F21 WeakPolarHBondContact O-CE1 3.4Å
17T58.3Low63.4Low127 Ų12775.8 Ų75.878%0.77944%0.437SS*.SBendtrans-79.9-7.9-176.1-38.10000112.2L15L15-T17 PolarHBondContact O-N 3.44Å; L15-T17 VanDerWaalsContact O-N 3.14Å
18E58.6Low65.3Low159 Ų15973.5 Ų73.574%0.74341%0.412SS*.SBendtrans-111.6135.8179.6-65.8-179.1172.600110.8P16P16-E18 PolarHBondContact O-N 2.68Å
19P64.6Low66.8Low95 Ų9571.7 Ų71.762%0.61739%0.388SS*.SBendtrans-62143.3171.127.3-33.6000109.8F21P19-F21 HydrophobicContact CB-CD2 4.46Å; P19-F21 HydrophobicContact CB-CE2 4.13Å
20P68.8Low68Low32 Ų3271.3 Ų71.321%0.20838%0.382CS..  cis-91.1135.215.533.1-34000114.5I22 E67P20-I22 HydrophobicContact CB-CD1 4.36Å; P20-I22 HydrophobicContact CB-CG1 4.06Å; P20-I22 HydrophobicContact CG-CD1 4.07Å; P20-I22 HydrophobicContact CG-CG1 4.23Å; P20-I22 PolarHBondContact O-N 3.43Å; P20-E67 HydrophobicContact CB-CG 3.88Å; P20-E67 WeakPolarHBondContact CB-OE1 3.37Å
21F80.3Confident68.8Low19 Ų1967 Ų678%0.08338%0.384CS..EExtended strand (participates in β ladder)trans-83.391175.3-54.1-74.8000109.9P16 P19 E67 F68 E69 L71 L74P16-F21 WeakPolarHBondContact O-CD1 3.12Å; P16-F21 WeakPolarHBondContact O-CE1 3.4Å; P19-F21 HydrophobicContact CB-CD2 4.46Å; P19-F21 HydrophobicContact CB-CE2 4.13Å; F21-E67 WeakPolarHBondContact O-CA 3.48Å; F21-F68 HydrophobicContact CB-CB 4.19Å; F21-F68 PolarHBondContact O-N 3.34Å; F21-E69 WeakPolarHBondContact CD2-O 3.5Å; F21-E69 WeakPolarHBondContact CE2-O 3.31Å; F21-L71 HydrophobicContact CD1-CB 4.13Å; F21-L71 HydrophobicContact CE1-CB 3.73Å; F21-L71 HydrophobicContact CE1-CD1 4.28Å; F21-L71 HydrophobicContact CE1-CG 4.41Å; F21-L71 HydrophobicContact CZ-CB 4.03Å; F21-L74 HydrophobicContact CB-CB 4.46Å; F21-L74 HydrophobicContact CB-CD2 4.24Å
22I83.4Confident70.3Confident38 Ų3864.1 Ų64.120%0.19536%0.357CS..EExtended strand (participates in β ladder)trans-98.5128.8-176.8-49175.2000110P20 Y65 V66 E67 A98P20-I22 HydrophobicContact CB-CD1 4.36Å; P20-I22 HydrophobicContact CB-CG1 4.06Å; P20-I22 HydrophobicContact CG-CD1 4.07Å; P20-I22 HydrophobicContact CG-CG1 4.23Å; P20-I22 PolarHBondContact O-N 3.43Å; I22-Y65 HydrophobicContact CG2-CD1 4.27Å; I22-V66 CarbonylContact C-O 3.57Å; I22-V66 WeakPolarHBondContact CA-O 3.13Å; I22-E67 HydrophobicContact CG1-CB 4.43Å; I22-E67 HydrophobicContact CG1-CG 4.38Å; I22-A98 HydrophobicContact CB-CB 3.97Å; I22-A98 HydrophobicContact CG2-CB 3.69Å; I22-A98 WeakPolarHBondContact O-CA 3.1Å; I22-A98 WeakPolarHBondContact O-CB 3.3Å; I22-A98 PolarHBondContact O-N 3.04Å
23A85.3Confident71.8Confident0 Ų062.7 Ų62.70%034%0.344CS..EExtended strand (participates in β ladder)trans-102.9144.3164.100000111.1Y65 V66 F68 L74 I95A23-Y65 CarbonylContact O-C 3.48Å; A23-Y65 VanDerWaalsContact O-CA 3.31Å; A23-Y65 WeakPolarHBondContact O-CA 3.36Å; A23-V66 PolarHBondContact N-O 3.27Å; A23-V66 PolarHBondContact O-N 3.45Å; A23-F68 HydrophobicContact CB-CD2 4.26Å; A23-F68 HydrophobicContact CB-CE2 3.57Å; A23-L74 HydrophobicContact CB-CD1 3.69Å; A23-I95 HydrophobicContact CB-CG2 4.17Å
24F86.3Confident73.2Confident42 Ų4262 Ų6218%0.18434%0.342CS..EExtended strand (participates in β ladder)trans-92.8125.4165.4167.9-96.9000108.3F63 Y65 I95 D96 A98F24-F63 HydrophobicContact CE2-CB 3.58Å; F24-F63 AromaticContact CE2-CD2 3.79Å; F24-F63 HydrophobicContact CE2-CD2 3.79Å; F24-F63 AromaticContact CE2-CG 3.87Å; F24-F63 HydrophobicContact CE2-CG 3.87Å; F24-F63 HydrophobicContact CZ-CB 3.85Å; F24-F63 HydrophobicContact CZ-CG 4.38Å; F24-Y65 HydrophobicContact CB-CD1 4.3Å; F24-Y65 HydrophobicContact CB-CE1 4.17Å; F24-Y65 HydrophobicContact CD2-CD1 4.27Å; F24-Y65 AromaticContact CD2-CE1 3.68Å; F24-Y65 HydrophobicContact CD2-CE1 3.68Å; F24-Y65 AromaticContact CD2-CZ 3.95Å; F24-Y65 HydrophobicContact CG-CE1 4.41Å; F24-I95 CarbonylContact O-C 3.49Å; F24-I95 VanDerWaalsContact O-CA 3.23Å; F24-I95 WeakPolarHBondContact O-CA 3.43Å; F24-D96 HydrophobicContact CB-CB 4.38Å; F24-D96 HydrophobicContact CD1-CB 4.03Å; F24-D96 PolarHBondContact N-O 3.17Å; F24-D96 PolarHBondContact O-N 3.49Å; F24-A98 HydrophobicContact CB-CB 4.08Å
25V85.4Confident74.6Confident0 Ų054.9 Ų54.90%032%0.318CS..EExtended strand (participates in β ladder)trans-115.8113.2172.3-173.60000107.5L28 F41 F63 C64 V66 R94 I95V25-L28 HydrophobicContact CB-CD1 4.31Å; V25-L28 HydrophobicContact CG1-CD1 3.87Å; V25-L28 HydrophobicContact CG1-CD2 4.24Å; V25-L28 HydrophobicContact CG1-CG 4.1Å; V25-F41 HydrophobicContact CG1-CE2 4.39Å; V25-F41 HydrophobicContact CG1-CZ 4.06Å; V25-F41 HydrophobicContact CG2-CE2 4.23Å; V25-F41 HydrophobicContact CG2-CZ 3.79Å; V25-F63 CarbonylContact O-C 3.52Å; V25-F63 WeakPolarHBondContact O-CA 3.37Å; V25-F63 WeakPolarHBondContact O-CB 3.32Å; V25-C64 PolarHBondContact N-O 3.42Å; V25-C64 PolarHBondContact O-N 2.99Å; V25-V66 HydrophobicContact CG2-CG2 4.04Å; V25-R94 CarbonylContact C-O 3.46Å; V25-R94 WeakPolarHBondContact CA-O 3.23Å; V25-I95 HydrophobicContact CG1-CG1 4.19Å; V25-I95 HydrophobicContact CG2-CG1 4.24Å; V25-I95 HydrophobicContact CG2-CG2 4.43Å
26G83.1Confident75.9Confident4 Ų455.3 Ų55.34%0.04132%0.321CS..EExtended strand (participates in β ladder)trans-114.7174.7178.600000112.5L28 G62 R94G26-L28 VanDerWaalsContact C-N 3.29Å; G26-L28 PolarHBondContact O-N 2.97Å; G26-G62 CarbonylContact C-O 3.52Å; G26-R94 PolarHBondContact N-O 2.94Å; G26-R94 PolarHBondContact O-N 3.05Å
27N81.1Confident77Confident73 Ų7353.8 Ų53.839%0.3931%0.31SS..  trans6336-179.6-167.260.4000113.1G62 A91 P92N27-G62 PolarHBondContact N-O 2.95Å; N27-A91 WeakPolarHBondContact ND2-CB 3.23Å; N27-A91 PolarHBondContact ND2-O 3.25Å; N27-A91 WeakPolarHBondContact OD1-CB 3.32Å; N27-P92 VanDerWaalsContact ND2-C 3.32Å; N27-P92 PolarHBondContact ND2-O 2.75Å
28L80Confident78.1Confident10 Ų1051.8 Ų51.85%0.05229%0.294CS..PPolyproline II helixtrans-86.3142.9173.7-71.9162.5000109.8V25 G26 L32 F60 G62 C64 L93V25-L28 HydrophobicContact CB-CD1 4.31Å; V25-L28 HydrophobicContact CG1-CD1 3.87Å; V25-L28 HydrophobicContact CG1-CD2 4.24Å; V25-L28 HydrophobicContact CG1-CG 4.1Å; G26-L28 VanDerWaalsContact C-N 3.29Å; G26-L28 PolarHBondContact O-N 2.97Å; L28-L32 HydrophobicContact CB-CD1 4.16Å; L28-L32 HydrophobicContact CD2-CD1 3.63Å; L28-L32 HydrophobicContact CG-CD1 4.45Å; L28-F60 HydrophobicContact CB-CE1 3.51Å; L28-F60 HydrophobicContact CB-CZ 3.98Å; L28-F60 HydrophobicContact CD1-CE1 4.23Å; L28-F60 HydrophobicContact CD1-CZ 3.82Å; L28-G62 PolarHBondContact N-O 3.08Å; L28-G62 VanDerWaalsContact O-CA 3.24Å; L28-G62 WeakPolarHBondContact O-CA 3.01Å; L28-C64 HydrophobicContact CD1-CB 4.28Å; L28-C64 VanDerWaalsContact CD1-SG 3.54Å; L28-L93 HydrophobicContact CD2-CD2 3.55Å; L28-L93 HydrophobicContact CG-CD2 4.14Å
29P75.1Confident79.2Confident24 Ų2450.4 Ų50.416%0.15629%0.286CS..PPolyproline II helixtrans-55.1148175.723.7-39.4000113.5G31 L32 F60 L86 L89P29-G31 PolarHBondContact O-N 3.46Å; P29-L32 HydrophobicContact CG-CB 4.36Å; P29-L32 HydrophobicContact CG-CD1 3.36Å; P29-L32 HydrophobicContact CG-CG 3.56Å; P29-L32 PolarHBondContact O-N 3.03Å; P29-F60 WeakPolarHBondContact O-CD1 3.26Å; P29-L86 HydrophobicContact CB-CD2 4.46Å; P29-L86 HydrophobicContact CG-CD2 3.45Å; P29-L86 VanDerWaalsContact CG-CD2 3.45Å; P29-L89 HydrophobicContact CB-CD1 3.46Å; P29-L89 VanDerWaalsContact CB-CD1 3.46Å; P29-L89 HydrophobicContact CG-CD1 4.33Å
30Q70.2Confident79.8Confident156 Ų15648.3 Ų48.373%0.72927%0.269SS*.THydrogen-bonded Turntrans-67.6117.3167.8-63.4177300108.5
31G72.6Confident80.1Confident61 Ų6147.2 Ų47.263%0.62926%0.261SS*.THydrogen-bonded Turntrans116.7-8.2-178.100000114.9P29 V33P29-G31 PolarHBondContact O-N 3.46Å; G31-V33 PolarHBondContact O-N 3.38Å
32L76.9Confident80Confident24 Ų2453.1 Ų53.113%0.12629%0.289CS..  trans-65.6130.7169-92.2174.2000110.8L28 P29 D36 I40L28-L32 HydrophobicContact CB-CD1 4.16Å; L28-L32 HydrophobicContact CD2-CD1 3.63Å; L28-L32 HydrophobicContact CG-CD1 4.45Å; P29-L32 HydrophobicContact CG-CB 4.36Å; P29-L32 HydrophobicContact CG-CD1 3.36Å; P29-L32 HydrophobicContact CG-CG 3.56Å; P29-L32 PolarHBondContact O-N 3.03Å; L32-D36 HydrophobicContact CD2-CB 3.29Å; L32-I40 HydrophobicContact CD2-CD1 4.42Å
33V81.4Confident79.7Confident83 Ų8357.7 Ų57.750%0.50331%0.313SS..  trans-100.9166.4173.6-63.30000111.1G31 G35 D36 V37G31-V33 PolarHBondContact O-N 3.38Å; V33-G35 PolarHBondContact O-N 3.48Å; V33-D36 HydrophobicContact CG2-CB 4.49Å; V33-D36 WeakPolarHBondContact CG2-OD2 3.2Å; V33-D36 PolarHBondContact O-N 2.9Å; V33-V37 PolarHBondContact O-N 2.98Å
34Q81.3Confident79.5Confident94 Ų9459.1 Ų59.144%0.43932%0.32SS..Hα-helixtrans-52.6-41178.2-169170.29.400112.9D36 V37 I38 V49 L51Q34-D36 VanDerWaalsContact C-N 3.28Å; Q34-D36 PolarHBondContact O-N 3.26Å; Q34-V37 PolarHBondContact O-N 3.2Å; Q34-I38 HydrophobicContact CG-CD1 3.82Å; Q34-I38 HydrophobicContact CG-CG1 4.4Å; Q34-I38 VanDerWaalsContact O-CG1 3.26Å; Q34-I38 WeakPolarHBondContact O-CG1 3.45Å; Q34-I38 PolarHBondContact O-N 3.32Å; Q34-V49 HydrophobicContact CG-CB 4.45Å; Q34-V49 HydrophobicContact CG-CG1 4.42Å; Q34-V49 PolarHBondContact NE2-O 3.21Å; Q34-L51 HydrophobicContact CB-CD1 3.39Å; Q34-L51 HydrophobicContact CG-CD1 3.53Å
35G82.1Confident79.1Confident35 Ų3563 Ų6336%0.36134%0.338SS..Hα-helixtrans-62-35.6-179.600000113V33 I38 K39V33-G35 PolarHBondContact O-N 3.48Å; G35-I38 PolarHBondContact O-N 3.33Å; G35-K39 VanDerWaalsContact O-CG 3.3Å; G35-K39 WeakPolarHBondContact O-CG 3.18Å; G35-K39 PolarHBondContact O-N 3.11Å
36D82.6Confident79Confident53 Ų5365.1 Ų65.128%0.28335%0.351SS..Hα-helixtrans-77.2-36.8179.6-60.9-41.6000111.5L32 V33 Q34 I38 K39 I40L32-D36 HydrophobicContact CD2-CB 3.29Å; V33-D36 HydrophobicContact CG2-CB 4.49Å; V33-D36 WeakPolarHBondContact CG2-OD2 3.2Å; V33-D36 PolarHBondContact O-N 2.9Å; Q34-D36 VanDerWaalsContact C-N 3.28Å; Q34-D36 PolarHBondContact O-N 3.26Å; D36-I38 VanDerWaalsContact C-N 3.32Å; D36-I38 PolarHBondContact O-N 3.03Å; D36-K39 PolarHBondContact O-N 3.26Å; D36-K39 IonicContact OD1-NZ 3.29Å; D36-K39 PolarHBondContact OD1-NZ 3.31Å; D36-I40 WeakPolarHBondContact O-CD1 3.34Å; D36-I40 VanDerWaalsContact O-CG1 3.23Å; D36-I40 WeakPolarHBondContact O-CG1 3.42Å; D36-I40 PolarHBondContact O-N 3.26Å
37V79.8Confident79.1Confident0 Ų071.2 Ų71.20%038%0.377CS..Hα-helixtrans-59.5-45169.7178.40000110.2V33 Q34 K39 I40 F41 V49 L51V33-V37 PolarHBondContact O-N 2.98Å; Q34-V37 PolarHBondContact O-N 3.2Å; V37-K39 VanDerWaalsContact C-N 3.32Å; V37-K39 PolarHBondContact O-N 3.21Å; V37-I40 PolarHBondContact O-N 3.05Å; V37-F41 HydrophobicContact CG1-CD2 3.65Å; V37-F41 HydrophobicContact CG1-CE2 3.9Å; V37-F41 WeakPolarHBondContact O-CD2 3.2Å; V37-F41 PolarHBondContact O-N 3.03Å; V37-V49 HydrophobicContact CG1-CG1 3.98Å; V37-L51 HydrophobicContact CG2-CD2 4.07Å
38I81.5Confident79.2Confident86 Ų8674.2 Ų74.244%0.44138%0.383SS..Hα-helixtrans-61.6-40.3177.2-68.4164.6000111.4Q34 G35 D36 F41 Q42 V49Q34-I38 HydrophobicContact CG-CD1 3.82Å; Q34-I38 HydrophobicContact CG-CG1 4.4Å; Q34-I38 VanDerWaalsContact O-CG1 3.26Å; Q34-I38 WeakPolarHBondContact O-CG1 3.45Å; Q34-I38 PolarHBondContact O-N 3.32Å; G35-I38 PolarHBondContact O-N 3.33Å; D36-I38 VanDerWaalsContact C-N 3.32Å; D36-I38 PolarHBondContact O-N 3.03Å; I38-F41 CarbonylContact O-C 3.58Å; I38-F41 PolarHBondContact O-N 3.09Å; I38-Q42 WeakPolarHBondContact O-CA 3.37Å; I38-Q42 PolarHBondContact O-N 3Å; I38-V49 HydrophobicContact CG1-CG2 4.21Å
39K81.1Confident79.5Confident129 Ų12974.1 Ų74.156%0.56138%0.384SS*.Hα-helixtrans-64.9-40.3175.9-71.3169.2-1671640112.4G35 D36 V37 F41 Q42G35-K39 VanDerWaalsContact O-CG 3.3Å; G35-K39 WeakPolarHBondContact O-CG 3.18Å; G35-K39 PolarHBondContact O-N 3.11Å; D36-K39 PolarHBondContact O-N 3.26Å; D36-K39 IonicContact OD1-NZ 3.29Å; D36-K39 PolarHBondContact OD1-NZ 3.31Å; V37-K39 VanDerWaalsContact C-N 3.32Å; V37-K39 PolarHBondContact O-N 3.21Å; K39-F41 VanDerWaalsContact C-N 3.3Å; K39-Q42 WeakPolarHBondContact O-CB 3.26Å; K39-Q42 WeakPolarHBondContact O-CG 3.32Å; K39-Q42 PolarHBondContact O-N 3.26Å
40I76.7Confident80.1Confident52 Ų5280.1 Ų80.127%0.26740%0.403SS..Hα-helixtrans-65.7-38177.7-66.7160.8000110.5L32 D36 V37L32-I40 HydrophobicContact CD2-CD1 4.42Å; D36-I40 WeakPolarHBondContact O-CD1 3.34Å; D36-I40 VanDerWaalsContact O-CG1 3.23Å; D36-I40 WeakPolarHBondContact O-CG1 3.42Å; D36-I40 PolarHBondContact O-N 3.26Å; V37-I40 PolarHBondContact O-N 3.05Å
41F75.9Confident80.8Confident8 Ų874.2 Ų74.24%0.03538%0.376CS..THydrogen-bonded Turntrans-98.621179.6-65.4-75.5000113.1V25 V37 I38 K39 D43 F44 V46 I95V25-F41 HydrophobicContact CG1-CE2 4.39Å; V25-F41 HydrophobicContact CG1-CZ 4.06Å; V25-F41 HydrophobicContact CG2-CE2 4.23Å; V25-F41 HydrophobicContact CG2-CZ 3.79Å; V37-F41 HydrophobicContact CG1-CD2 3.65Å; V37-F41 HydrophobicContact CG1-CE2 3.9Å; V37-F41 WeakPolarHBondContact O-CD2 3.2Å; V37-F41 PolarHBondContact O-N 3.03Å; I38-F41 CarbonylContact O-C 3.58Å; I38-F41 PolarHBondContact O-N 3.09Å; K39-F41 VanDerWaalsContact C-N 3.3Å; F41-D43 PolarHBondContact O-N 3.07Å; F41-F44 HydrophobicContact CB-CD2 4.24Å; F41-F44 AromaticContact CD1-CD2 3.87Å; F41-F44 HydrophobicContact CD1-CD2 3.87Å; F41-F44 HydrophobicContact CD1-CE2 4.07Å; F41-F44 PolarHBondContact O-N 3.48Å; F41-F44 VanDerWaalsContact O-N 3.12Å; F41-V46 HydrophobicContact CB-CG2 4.09Å; F41-I95 HydrophobicContact CE1-CD1 4.28Å; F41-I95 HydrophobicContact CZ-CD1 4.38Å
42Q77.7Confident81.5Confident144 Ų14472.7 Ų72.767%0.67336%0.355SS*.THydrogen-bonded Turntrans-67.5-27.2-177.172.6-177.1-20.200112.8I38 K39 F44I38-Q42 WeakPolarHBondContact O-CA 3.37Å; I38-Q42 PolarHBondContact O-N 3Å; K39-Q42 WeakPolarHBondContact O-CB 3.26Å; K39-Q42 WeakPolarHBondContact O-CG 3.32Å; K39-Q42 PolarHBondContact O-N 3.26Å; Q42-F44 PolarHBondContact O-N 2.85Å
43D78.3Confident82Confident133 Ų13376.7 Ų76.771%0.71137%0.371SS*.THydrogen-bonded Turntrans-72.9-4.1176.8-69.1-87000112.7F41F41-D43 PolarHBondContact O-N 3.07Å
44F79.6Confident82.2Confident31 Ų3175.2 Ų75.214%0.13636%0.36CS..SBendtrans-118.8145.5179.8-53.9-86.3000111.1F41 Q42 V46 F68 N73 R76F41-F44 HydrophobicContact CB-CD2 4.24Å; F41-F44 AromaticContact CD1-CD2 3.87Å; F41-F44 HydrophobicContact CD1-CD2 3.87Å; F41-F44 HydrophobicContact CD1-CE2 4.07Å; F41-F44 PolarHBondContact O-N 3.48Å; F41-F44 VanDerWaalsContact O-N 3.12Å; Q42-F44 PolarHBondContact O-N 2.85Å; F44-V46 HydrophobicContact CB-CG2 4.38Å; F44-V46 PolarHBondContact O-N 3.15Å; F44-F68 HydrophobicContact CB-CD1 4.23Å; F44-F68 HydrophobicContact CB-CE1 3.76Å; F44-F68 HydrophobicContact CG-CE1 4.27Å; F44-N73 WeakPolarHBondContact CA-OD1 3.35Å; F44-N73 HydrophobicContact CB-CB 4.44Å; F44-N73 HydrophobicContact CD1-CB 4.39Å; F44-R76 HydrophobicContact CD1-CB 4.41Å; F44-R76 HydrophobicContact CE1-CB 3.69Å
45E79.9Confident82.3Confident122 Ų12282.6 Ų82.657%0.5738%0.384SS*.  trans-79.389.1174.1-62.3178.6104.100110.6E69 N73E45-E69 PolarHBondContact O-N 3.4Å; E45-E69 VanDerWaalsContact O-N 3.14Å; E45-N73 WeakPolarHBondContact CB-ND2 3.33Å; E45-N73 PolarHBondContact N-ND2 3.24Å; E45-N73 PolarHBondContact N-OD1 3.02Å
46V82.1Confident82.4Confident45 Ų4589.7 Ų89.727%0.27341%0.408SS..EExtended strand (participates in β ladder)trans-89.1123.3176.4179.10000110.2F41 F44 V49 V66 E67 F68F41-V46 HydrophobicContact CB-CG2 4.09Å; F44-V46 HydrophobicContact CB-CG2 4.38Å; F44-V46 PolarHBondContact O-N 3.15Å; V46-V49 HydrophobicContact CG1-CG2 3.47Å; V46-V49 VanDerWaalsContact CG1-CG2 3.47Å; V46-V66 HydrophobicContact CB-CG1 4.18Å; V46-V66 HydrophobicContact CG1-CG1 3.48Å; V46-V66 VanDerWaalsContact CG1-CG1 3.48Å; V46-V66 HydrophobicContact CG2-CG1 3.59Å; V46-E67 CarbonylContact C-O 3.55Å; V46-E67 WeakPolarHBondContact CG1-O 3.24Å; V46-F68 HydrophobicContact CG2-CD1 3.9Å; V46-F68 HydrophobicContact CG2-CE1 3.64Å
47K84.4Confident82.5Confident132 Ų13290.8 Ų90.857%0.57442%0.417SS*.EExtended strand (participates in β ladder)trans-81.8-41.5175.7-174.4169.8-178.4172.20112.4E67K47-E67 HydrophobicContact CB-CG 4.32Å; K47-E67 PolarHBondContact N-O 3.25Å
48Y83.6Confident82.6Confident136 Ų13695.9 Ų95.953%0.53344%0.444SS..EExtended strand (participates in β ladder)trans-152142.9-178.4-173.2-106.1000112.1R50 E67Y48-R50 HydrophobicContact CD1-CB 4.45Å; Y48-R50 HydrophobicContact CE1-CB 3.9Å; Y48-E67 PolarHBondContact N-O 3.33Å; Y48-E67 PolarHBondContact O-N 3.46Å
49V87.1Confident82.6Confident9 Ų996.9 Ų96.96%0.05545%0.447CS..EExtended strand (participates in β ladder)trans-122.2128.7175.4-177.40000109.4Q34 V37 I38 V46 L51 V66Q34-V49 HydrophobicContact CG-CB 4.45Å; Q34-V49 HydrophobicContact CG-CG1 4.42Å; Q34-V49 PolarHBondContact NE2-O 3.21Å; V37-V49 HydrophobicContact CG1-CG1 3.98Å; I38-V49 HydrophobicContact CG1-CG2 4.21Å; V46-V49 HydrophobicContact CG1-CG2 3.47Å; V46-V49 VanDerWaalsContact CG1-CG2 3.47Å; V49-L51 HydrophobicContact CG1-CD1 3.94Å; V49-V66 HydrophobicContact CG1-CG2 4.48Å; V49-V66 HydrophobicContact CG2-CG1 4.45Å
50R86.6Confident82.6Confident149 Ų14991.4 Ų91.456%0.56242%0.423SS*.EExtended strand (participates in β ladder)trans-119.3108.2175.7-174.9-178.6178.1-145.3-0.5110.5Y48 C64 Y65Y48-R50 HydrophobicContact CD1-CB 4.45Å; Y48-R50 HydrophobicContact CE1-CB 3.9Å; R50-C64 CarbonylContact O-C 3.54Å; R50-C64 WeakPolarHBondContact O-CA 3.41Å; R50-C64 WeakPolarHBondContact O-CB 3.49Å; R50-Y65 PolarHBondContact N-O 2.7Å; R50-Y65 PolarHBondContact O-N 3.29Å
51L86.5Confident82.8Confident33 Ų3395 Ų9517%0.17344%0.436CS..EExtended strand (participates in β ladder)trans-84.8137.1171.6-6596.5000110.2Q34 V37 V49 F60 C64Q34-L51 HydrophobicContact CB-CD1 3.39Å; Q34-L51 HydrophobicContact CG-CD1 3.53Å; V37-L51 HydrophobicContact CG2-CD2 4.07Å; V49-L51 HydrophobicContact CG1-CD1 3.94Å; L51-F60 HydrophobicContact CB-CD2 4.14Å; L51-F60 HydrophobicContact CB-CE2 3.86Å; L51-F60 HydrophobicContact CD2-CD2 3.99Å; L51-F60 HydrophobicContact CD2-CE2 3.66Å; L51-F60 HydrophobicContact CD2-CZ 4.3Å; L51-F60 HydrophobicContact CG-CE2 4.11Å; L51-C64 HydrophobicContact CG-CB 4.09Å
52V85.9Confident83.1Confident28 Ų2895.1 Ų95.117%0.1744%0.441CS..EExtended strand (participates in β ladder)trans-96.6117172.7-176.90000108.8F60 K61 F63 Y65V52-F60 WeakPolarHBondContact O-CD2 3.35Å; V52-K61 HydrophobicContact CG1-CB 4.3Å; V52-K61 HydrophobicContact CG1-CD 4.09Å; V52-K61 VanDerWaalsContact O-CB 3.26Å; V52-K61 WeakPolarHBondContact O-CB 3.45Å; V52-K61 PolarHBondContact O-N 2.93Å; V52-F63 HydrophobicContact CB-CD2 3.73Å; V52-F63 HydrophobicContact CB-CE2 3.36Å; V52-F63 HydrophobicContact CB-CG 4.5Å; V52-F63 HydrophobicContact CB-CZ 3.84Å; V52-F63 HydrophobicContact CG1-CD2 4.39Å; V52-F63 HydrophobicContact CG1-CE1 4.43Å; V52-F63 HydrophobicContact CG1-CE2 3.55Å; V52-F63 HydrophobicContact CG1-CZ 3.57Å; V52-F63 HydrophobicContact CG2-CD2 3.74Å; V52-F63 HydrophobicContact CG2-CE2 3.39Å; V52-F63 HydrophobicContact CG2-CZ 4.29Å; V52-F63 PolarHBondContact N-O 3.37Å; V52-Y65 HydrophobicContact CG2-CD2 3.98Å; V52-Y65 HydrophobicContact CG2-CE2 3.72Å
53K87.3Confident83.5Confident108 Ų10890.3 Ų90.347%0.4742%0.417SS..EExtended strand (participates in β ladder)trans-109.5153.1173.6-61.5177.8168.4-163.60109.8D58 Q59K53-D58 IonicContact NZ-OD1 2.84Å; K53-D58 PolarHBondContact NZ-OD1 2.84Å; K53-Q59 CarbonylContact C-O 3.32Å; K53-Q59 VanDerWaalsContact CA-O 3.32Å; K53-Q59 WeakPolarHBondContact CA-O 3.33Å
54D85.9Confident83.9Confident52 Ų5284 Ų8428%0.27838%0.383SS..  trans-68.2140171-174.9-98000110.6E56 T57 D58 Q59D54-E56 PolarHBondContact OD1-N 3.2Å; D54-T57 WeakPolarHBondContact CB-OG1 3.31Å; D54-T57 PolarHBondContact OD1-N 3.32Å; D54-T57 PolarHBondContact OD1-OG1 3.06Å; D54-D58 VanDerWaalsContact O-CA 3.23Å; D54-D58 WeakPolarHBondContact O-CA 3.5Å; D54-D58 PolarHBondContact O-N 2.9Å; D54-D58 VanDerWaalsContact O-N 3.1Å; D54-Q59 PolarHBondContact N-O 3.4Å
55R84.4Confident84.3Confident250 Ų25085.8 Ų85.894%0.94339%0.39SS*.THydrogen-bonded Turntrans-77.5-25.8-173.7-179.9178.4169.4-144-3.4112.7
56E84.3Confident84.6Confident183 Ų18380 Ų8086%0.85536%0.363SS*.THydrogen-bonded Turntrans-92.3-36.8-175.2-62.1-173.595.200111.2D54D54-E56 PolarHBondContact OD1-N 3.2Å
57T83.4Confident84.9Confident77 Ų7780 Ų8047%0.47236%0.36SS..THydrogen-bonded Turntrans-105.4-8.1-174.359.80000114.3D54 Q59D54-T57 WeakPolarHBondContact CB-OG1 3.31Å; D54-T57 PolarHBondContact OD1-N 3.32Å; D54-T57 PolarHBondContact OD1-OG1 3.06Å; T57-Q59 PolarHBondContact O-N 2.94Å; T57-Q59 PolarHBondContact OG1-N 3.19Å
58D82.6Confident84.9Confident106 Ų10673.8 Ų73.857%0.56733%0.333SS*.  trans50.810.7-165.9-153.2-102.4000114.1K53 D54K53-D58 IonicContact NZ-OD1 2.84Å; K53-D58 PolarHBondContact NZ-OD1 2.84Å; D54-D58 VanDerWaalsContact O-CA 3.23Å; D54-D58 WeakPolarHBondContact O-CA 3.5Å; D54-D58 PolarHBondContact O-N 2.9Å; D54-D58 VanDerWaalsContact O-N 3.1Å
59Q80.6Confident84.9Confident108 Ų10873 Ų7351%0.50533%0.334SS..  trans-75.5144.7-179-68.9-17450.500110.1K53 D54 T57 K61K53-Q59 CarbonylContact C-O 3.32Å; K53-Q59 VanDerWaalsContact CA-O 3.32Å; K53-Q59 WeakPolarHBondContact CA-O 3.33Å; D54-Q59 PolarHBondContact N-O 3.4Å; T57-Q59 PolarHBondContact O-N 2.94Å; T57-Q59 PolarHBondContact OG1-N 3.19Å; Q59-K61 PolarHBondContact O-N 3.45Å
60F82.3Confident84.6Confident14 Ų1474.8 Ų74.86%0.06135%0.345CS..EExtended strand (participates in β ladder)trans-68.6128.2179.4178.6-113.1000110.8L28 P29 L51 V52 G62 F63L28-F60 HydrophobicContact CB-CE1 3.51Å; L28-F60 HydrophobicContact CB-CZ 3.98Å; L28-F60 HydrophobicContact CD1-CE1 4.23Å; L28-F60 HydrophobicContact CD1-CZ 3.82Å; P29-F60 WeakPolarHBondContact O-CD1 3.26Å; L51-F60 HydrophobicContact CB-CD2 4.14Å; L51-F60 HydrophobicContact CB-CE2 3.86Å; L51-F60 HydrophobicContact CD2-CD2 3.99Å; L51-F60 HydrophobicContact CD2-CE2 3.66Å; L51-F60 HydrophobicContact CD2-CZ 4.3Å; L51-F60 HydrophobicContact CG-CE2 4.11Å; V52-F60 WeakPolarHBondContact O-CD2 3.35Å; F60-G62 PolarHBondContact O-N 3.1Å; F60-F63 WeakPolarHBondContact CE2-O 3.44Å; F60-F63 VanDerWaalsContact CZ-N 3.28Å; F60-F63 WeakPolarHBondContact CZ-O 3.17Å
61K81.3Confident84.4Confident126 Ų12670.5 Ų70.555%0.54833%0.333SS..EExtended strand (participates in β ladder)trans-78.21.5-172.5-156171167.8164.20113.5V52 Q59 F63V52-K61 HydrophobicContact CG1-CB 4.3Å; V52-K61 HydrophobicContact CG1-CD 4.09Å; V52-K61 VanDerWaalsContact O-CB 3.26Å; V52-K61 WeakPolarHBondContact O-CB 3.45Å; V52-K61 PolarHBondContact O-N 2.93Å; Q59-K61 PolarHBondContact O-N 3.45Å; K61-F63 HydrophobicContact CB-CD1 4.06Å; K61-F63 HydrophobicContact CB-CE1 3.72Å; K61-F63 HydrophobicContact CB-CZ 4.32Å; K61-F63 HydrophobicContact CD-CE1 3.42Å; K61-F63 VanDerWaalsContact CD-CE1 3.42Å; K61-F63 HydrophobicContact CD-CZ 3.64Å; K61-F63 HydrophobicContact CG-CD1 4.12Å; K61-F63 HydrophobicContact CG-CE1 3.43Å; K61-F63 VanDerWaalsContact CG-CE1 3.43Å; K61-F63 HydrophobicContact CG-CZ 4.13Å; K61-F63 WeakPolarHBondContact O-CD1 3.42Å
62G81.5Confident84.2Confident12 Ų1273.2 Ų73.212%0.12435%0.348CS..EExtended strand (participates in β ladder)trans84.214.4179.400000114.4G26 N27 L28 F60G26-G62 CarbonylContact C-O 3.52Å; N27-G62 PolarHBondContact N-O 2.95Å; L28-G62 PolarHBondContact N-O 3.08Å; L28-G62 VanDerWaalsContact O-CA 3.24Å; L28-G62 WeakPolarHBondContact O-CA 3.01Å; F60-G62 PolarHBondContact O-N 3.1Å
63F85.8Confident83.9Confident42 Ų4272.5 Ų72.518%0.18434%0.343CS..EExtended strand (participates in β ladder)trans-148.2148.7174.661.2-90.5000113.9F24 V25 V52 F60 K61 Y65F24-F63 HydrophobicContact CE2-CB 3.58Å; F24-F63 AromaticContact CE2-CD2 3.79Å; F24-F63 HydrophobicContact CE2-CD2 3.79Å; F24-F63 AromaticContact CE2-CG 3.87Å; F24-F63 HydrophobicContact CE2-CG 3.87Å; F24-F63 HydrophobicContact CZ-CB 3.85Å; F24-F63 HydrophobicContact CZ-CG 4.38Å; V25-F63 CarbonylContact O-C 3.52Å; V25-F63 WeakPolarHBondContact O-CA 3.37Å; V25-F63 WeakPolarHBondContact O-CB 3.32Å; V52-F63 HydrophobicContact CB-CD2 3.73Å; V52-F63 HydrophobicContact CB-CE2 3.36Å; V52-F63 HydrophobicContact CB-CG 4.5Å; V52-F63 HydrophobicContact CB-CZ 3.84Å; V52-F63 HydrophobicContact CG1-CD2 4.39Å; V52-F63 HydrophobicContact CG1-CE1 4.43Å; V52-F63 HydrophobicContact CG1-CE2 3.55Å; V52-F63 HydrophobicContact CG1-CZ 3.57Å; V52-F63 HydrophobicContact CG2-CD2 3.74Å; V52-F63 HydrophobicContact CG2-CE2 3.39Å; V52-F63 HydrophobicContact CG2-CZ 4.29Å; V52-F63 PolarHBondContact N-O 3.37Å; F60-F63 WeakPolarHBondContact CE2-O 3.44Å; F60-F63 VanDerWaalsContact CZ-N 3.28Å; F60-F63 WeakPolarHBondContact CZ-O 3.17Å; K61-F63 HydrophobicContact CB-CD1 4.06Å; K61-F63 HydrophobicContact CB-CE1 3.72Å; K61-F63 HydrophobicContact CB-CZ 4.32Å; K61-F63 HydrophobicContact CD-CE1 3.42Å; K61-F63 VanDerWaalsContact CD-CE1 3.42Å; K61-F63 HydrophobicContact CD-CZ 3.64Å; K61-F63 HydrophobicContact CG-CD1 4.12Å; K61-F63 HydrophobicContact CG-CE1 3.43Å; K61-F63 VanDerWaalsContact CG-CE1 3.43Å; K61-F63 HydrophobicContact CG-CZ 4.13Å; K61-F63 WeakPolarHBondContact O-CD1 3.42Å; F63-Y65 HydrophobicContact CD2-CE2 4.15Å; F63-Y65 HydrophobicContact CE2-CE2 4.16Å
64C87.4Confident83.5Confident0 Ų067.3 Ų67.30%032%0.32CS..EExtended strand (participates in β ladder)trans-133.7162.717570.60000111.4V25 L28 R50 L51V25-C64 PolarHBondContact N-O 3.42Å; V25-C64 PolarHBondContact O-N 2.99Å; L28-C64 HydrophobicContact CD1-CB 4.28Å; L28-C64 VanDerWaalsContact CD1-SG 3.54Å; R50-C64 CarbonylContact O-C 3.54Å; R50-C64 WeakPolarHBondContact O-CA 3.41Å; R50-C64 WeakPolarHBondContact O-CB 3.49Å; L51-C64 HydrophobicContact CG-CB 4.09Å
65Y88.2Confident83.3Confident70 Ų7069.1 Ų69.128%0.27533%0.327SS..EExtended strand (participates in β ladder)trans-114.2130.4170.2-61.4-85.7000108.1I22 A23 F24 R50 V52 F63 A98I22-Y65 HydrophobicContact CG2-CD1 4.27Å; A23-Y65 CarbonylContact O-C 3.48Å; A23-Y65 VanDerWaalsContact O-CA 3.31Å; A23-Y65 WeakPolarHBondContact O-CA 3.36Å; F24-Y65 HydrophobicContact CB-CD1 4.3Å; F24-Y65 HydrophobicContact CB-CE1 4.17Å; F24-Y65 HydrophobicContact CD2-CD1 4.27Å; F24-Y65 AromaticContact CD2-CE1 3.68Å; F24-Y65 HydrophobicContact CD2-CE1 3.68Å; F24-Y65 AromaticContact CD2-CZ 3.95Å; F24-Y65 HydrophobicContact CG-CE1 4.41Å; R50-Y65 PolarHBondContact N-O 2.7Å; R50-Y65 PolarHBondContact O-N 3.29Å; V52-Y65 HydrophobicContact CG2-CD2 3.98Å; V52-Y65 HydrophobicContact CG2-CE2 3.72Å; F63-Y65 HydrophobicContact CD2-CE2 4.15Å; F63-Y65 HydrophobicContact CE2-CE2 4.16Å; Y65-A98 HydrophobicContact CD1-CB 4Å; Y65-A98 HydrophobicContact CE1-CB 4.25Å
66V86.5Confident83Confident0 Ų063.8 Ų63.80%031%0.307CS..EExtended strand (participates in β ladder)trans-117.4122.7179.8-176.60000107.1I22 A23 V25 V46 V49 F68I22-V66 CarbonylContact C-O 3.57Å; I22-V66 WeakPolarHBondContact CA-O 3.13Å; A23-V66 PolarHBondContact N-O 3.27Å; A23-V66 PolarHBondContact O-N 3.45Å; V25-V66 HydrophobicContact CG2-CG2 4.04Å; V46-V66 HydrophobicContact CB-CG1 4.18Å; V46-V66 HydrophobicContact CG1-CG1 3.48Å; V46-V66 VanDerWaalsContact CG1-CG1 3.48Å; V46-V66 HydrophobicContact CG2-CG1 3.59Å; V49-V66 HydrophobicContact CG1-CG2 4.48Å; V49-V66 HydrophobicContact CG2-CG1 4.45Å; V66-F68 HydrophobicContact CB-CE2 4.2Å; V66-F68 HydrophobicContact CB-CZ 4.17Å; V66-F68 HydrophobicContact CG1-CD1 4.3Å; V66-F68 HydrophobicContact CG1-CD2 4.45Å; V66-F68 HydrophobicContact CG1-CE1 3.79Å; V66-F68 HydrophobicContact CG1-CE2 3.96Å; V66-F68 HydrophobicContact CG1-CZ 3.6Å
67E86.9Confident82.6Confident45 Ų4555.1 Ų55.121%0.2127%0.266CS..EExtended strand (participates in β ladder)trans-95.5118.4173.4-176.6178.9162.200108.5P20 F21 I22 V46 K47 Y48P20-E67 HydrophobicContact CB-CG 3.88Å; P20-E67 WeakPolarHBondContact CB-OE1 3.37Å; F21-E67 WeakPolarHBondContact O-CA 3.48Å; I22-E67 HydrophobicContact CG1-CB 4.43Å; I22-E67 HydrophobicContact CG1-CG 4.38Å; V46-E67 CarbonylContact C-O 3.55Å; V46-E67 WeakPolarHBondContact CG1-O 3.24Å; K47-E67 HydrophobicContact CB-CG 4.32Å; K47-E67 PolarHBondContact N-O 3.25Å; Y48-E67 PolarHBondContact N-O 3.33Å; Y48-E67 PolarHBondContact O-N 3.46Å
68F84.6Confident82.2Confident2 Ų253.9 Ų53.91%0.00926%0.257CS..EExtended strand (participates in β ladder)trans-94.3151175.5-62.1-75.9000110.9F21 A23 F44 V46 V66 N73 L74 A77F21-F68 HydrophobicContact CB-CB 4.19Å; F21-F68 PolarHBondContact O-N 3.34Å; A23-F68 HydrophobicContact CB-CD2 4.26Å; A23-F68 HydrophobicContact CB-CE2 3.57Å; F44-F68 HydrophobicContact CB-CD1 4.23Å; F44-F68 HydrophobicContact CB-CE1 3.76Å; F44-F68 HydrophobicContact CG-CE1 4.27Å; V46-F68 HydrophobicContact CG2-CD1 3.9Å; V46-F68 HydrophobicContact CG2-CE1 3.64Å; V66-F68 HydrophobicContact CB-CE2 4.2Å; V66-F68 HydrophobicContact CB-CZ 4.17Å; V66-F68 HydrophobicContact CG1-CD1 4.3Å; V66-F68 HydrophobicContact CG1-CD2 4.45Å; V66-F68 HydrophobicContact CG1-CE1 3.79Å; V66-F68 HydrophobicContact CG1-CE2 3.96Å; V66-F68 HydrophobicContact CG1-CZ 3.6Å; F68-N73 HydrophobicContact CB-CB 4.1Å; F68-N73 HydrophobicContact CD1-CB 3.72Å; F68-N73 HydrophobicContact CE1-CB 4.41Å; F68-N73 HydrophobicContact CG-CB 4.07Å; F68-L74 HydrophobicContact CD2-CB 4.25Å; F68-L74 HydrophobicContact CD2-CD1 4.14Å; F68-L74 HydrophobicContact CE2-CD1 4.31Å; F68-A77 HydrophobicContact CE2-CB 4.06Å; F68-A77 HydrophobicContact CZ-CB 3.79Å
69E83Confident81.8Confident120 Ų12054.5 Ų54.556%0.56126%0.256SS*.SBendtrans-79-31.8175.9-175.4156.3-172.700112.5F21 E45F21-E69 WeakPolarHBondContact CD2-O 3.5Å; F21-E69 WeakPolarHBondContact CE2-O 3.31Å; E45-E69 PolarHBondContact O-N 3.4Å; E45-E69 VanDerWaalsContact O-N 3.14Å
70T82Confident81Confident46 Ų4651.7 Ų51.728%0.28225%0.248SC..SBendtrans-121.8150.9-17664.80000111.8D72 N73T70-D72 VanDerWaalsContact C-N 3.32Å; T70-D72 PolarHBondContact O-N 3.39Å; T70-N73 PolarHBondContact O-N 2.89Å; T70-N73 WeakPolarHBondContact OG1-CB 3.23Å; T70-N73 VanDerWaalsContact OG1-CG 3.3Å; T70-N73 PolarHBondContact OG1-N 3.12Å; T70-N73 PolarHBondContact OG1-ND2 3.47Å
71L81.4Confident80Confident59 Ų5951.6 Ų51.631%0.30925%0.248SC..Hα-helixtrans-62.8-35.5171.2-179.5154.8000112.8L15 F21 N73 L74 E75L15-L71 HydrophobicContact CB-CD1 3.79Å; L15-L71 HydrophobicContact CB-CG 4.21Å; L15-L71 HydrophobicContact CD1-CD1 4.11Å; L15-L71 HydrophobicContact CD1-CD2 3.62Å; L15-L71 HydrophobicContact CD1-CG 3.92Å; F21-L71 HydrophobicContact CD1-CB 4.13Å; F21-L71 HydrophobicContact CE1-CB 3.73Å; F21-L71 HydrophobicContact CE1-CD1 4.28Å; F21-L71 HydrophobicContact CE1-CG 4.41Å; F21-L71 HydrophobicContact CZ-CB 4.03Å; L71-N73 PolarHBondContact O-N 3.37Å; L71-L74 WeakPolarHBondContact O-CA 3.21Å; L71-L74 WeakPolarHBondContact O-CB 3.34Å; L71-L74 PolarHBondContact O-N 3.22Å; L71-E75 PolarHBondContact O-N 2.8Å
72D82.7Confident78.8Confident89 Ų8946.8 Ų46.848%0.47623%0.234SC..Hα-helixtrans-58.3-46.6179.3-172.7-92.4000111.7T70 L74 E75 R76T70-D72 VanDerWaalsContact C-N 3.32Å; T70-D72 PolarHBondContact O-N 3.39Å; D72-L74 VanDerWaalsContact C-N 3.27Å; D72-L74 PolarHBondContact O-N 3.17Å; D72-E75 PolarHBondContact O-N 2.92Å; D72-E75 VanDerWaalsContact O-N 3.15Å; D72-R76 VanDerWaalsContact O-CG 3.31Å; D72-R76 WeakPolarHBondContact O-CG 3.44Å; D72-R76 PolarHBondContact O-N 3.18Å; D72-R76 WeakPolarHBondContact OD1-CD 3.15Å
73N80.3Confident77.2Confident13 Ų1355.7 Ų55.77%0.0726%0.264CS..Hα-helixtrans-58.3-35.6173.6-77.2-50.5000113.3F44 E45 F68 T70 L71 A77F44-N73 WeakPolarHBondContact CA-OD1 3.35Å; F44-N73 HydrophobicContact CB-CB 4.44Å; F44-N73 HydrophobicContact CD1-CB 4.39Å; E45-N73 WeakPolarHBondContact CB-ND2 3.33Å; E45-N73 PolarHBondContact N-ND2 3.24Å; E45-N73 PolarHBondContact N-OD1 3.02Å; F68-N73 HydrophobicContact CB-CB 4.1Å; F68-N73 HydrophobicContact CD1-CB 3.72Å; F68-N73 HydrophobicContact CE1-CB 4.41Å; F68-N73 HydrophobicContact CG-CB 4.07Å; T70-N73 PolarHBondContact O-N 2.89Å; T70-N73 WeakPolarHBondContact OG1-CB 3.23Å; T70-N73 VanDerWaalsContact OG1-CG 3.3Å; T70-N73 PolarHBondContact OG1-N 3.12Å; T70-N73 PolarHBondContact OG1-ND2 3.47Å; L71-N73 PolarHBondContact O-N 3.37Å; N73-A77 WeakPolarHBondContact O-CB 3.16Å; N73-A77 PolarHBondContact O-N 2.94Å
74L79.3Confident75.5Confident0 Ų056.9 Ų56.90%027%0.272CS..Hα-helixtrans-69.3-43.2175.8177.366000111.6L15 F21 A23 F68 L71 D72 A77 L78 I97L15-L74 HydrophobicContact CD2-CD2 3.76Å; L15-L74 HydrophobicContact CD2-CG 4.12Å; F21-L74 HydrophobicContact CB-CB 4.46Å; F21-L74 HydrophobicContact CB-CD2 4.24Å; A23-L74 HydrophobicContact CB-CD1 3.69Å; F68-L74 HydrophobicContact CD2-CB 4.25Å; F68-L74 HydrophobicContact CD2-CD1 4.14Å; F68-L74 HydrophobicContact CE2-CD1 4.31Å; L71-L74 WeakPolarHBondContact O-CA 3.21Å; L71-L74 WeakPolarHBondContact O-CB 3.34Å; L71-L74 PolarHBondContact O-N 3.22Å; D72-L74 VanDerWaalsContact C-N 3.27Å; D72-L74 PolarHBondContact O-N 3.17Å; L74-A77 PolarHBondContact O-N 3.37Å; L74-L78 HydrophobicContact CG-CD1 4.47Å; L74-L78 WeakPolarHBondContact O-CG 3.19Å; L74-L78 PolarHBondContact O-N 2.95Å; L74-L78 VanDerWaalsContact O-N 3.1Å; L74-I97 HydrophobicContact CD2-CG1 4.49Å
75E80.9Confident73.5Confident90 Ų9065.1 Ų65.142%0.42131%0.307SS..Hα-helixtrans-62.6-50178-173.5172.9106.500111.1L71 D72 A77 L78 E79L71-E75 PolarHBondContact O-N 2.8Å; D72-E75 PolarHBondContact O-N 2.92Å; D72-E75 VanDerWaalsContact O-N 3.15Å; E75-A77 VanDerWaalsContact C-N 3.28Å; E75-A77 PolarHBondContact O-N 3.45Å; E75-L78 WeakPolarHBondContact O-CB 3.13Å; E75-L78 PolarHBondContact O-N 2.76Å; E75-E79 PolarHBondContact O-N 3.14Å; E75-E79 VanDerWaalsContact O-N 3.13Å
76R77.8Confident71.8Confident138 Ų13864.6 Ų64.652%0.52131%0.309SS..Hα-helixtrans-61.5-36.4177.2-64.1175.472.5103.44.6112.1F44 D72 L78 E79 C80F44-R76 HydrophobicContact CD1-CB 4.41Å; F44-R76 HydrophobicContact CE1-CB 3.69Å; D72-R76 VanDerWaalsContact O-CG 3.31Å; D72-R76 WeakPolarHBondContact O-CG 3.44Å; D72-R76 PolarHBondContact O-N 3.18Å; D72-R76 WeakPolarHBondContact OD1-CD 3.15Å; R76-L78 VanDerWaalsContact C-N 3.33Å; R76-L78 PolarHBondContact O-N 3.11Å; R76-E79 PolarHBondContact O-N 3.32Å; R76-C80 PolarHBondContact O-N 2.84Å; R76-C80 VanDerWaalsContact O-N 3.14Å; R76-C80 PolarHBondContact O-SG 2.76Å
77A75.3Confident70.3Confident0 Ų072.1 Ų72.10%035%0.349CS..Hα-helixtrans-64.5-35.9174.700000112.4F68 N73 L74 E75 E79 C80 D81 I95F68-A77 HydrophobicContact CE2-CB 4.06Å; F68-A77 HydrophobicContact CZ-CB 3.79Å; N73-A77 WeakPolarHBondContact O-CB 3.16Å; N73-A77 PolarHBondContact O-N 2.94Å; L74-A77 PolarHBondContact O-N 3.37Å; E75-A77 VanDerWaalsContact C-N 3.28Å; E75-A77 PolarHBondContact O-N 3.45Å; A77-E79 VanDerWaalsContact C-N 3.33Å; A77-C80 PolarHBondContact O-N 3.3Å; A77-D81 PolarHBondContact O-N 2.99Å; A77-I95 HydrophobicContact CB-CG2 4.49Å; A77-I95 WeakPolarHBondContact O-CD1 3.37Å
78L75.6Confident68.8Low51 Ų5177.3 Ų77.327%0.26738%0.379SS..Hα-helixtrans-68.9-31.9174.9-66.9162000112.2L15 L74 E75 R76 C80 D81 I95 I97L15-L78 HydrophobicContact CD2-CD1 4.15Å; L74-L78 HydrophobicContact CG-CD1 4.47Å; L74-L78 WeakPolarHBondContact O-CG 3.19Å; L74-L78 PolarHBondContact O-N 2.95Å; L74-L78 VanDerWaalsContact O-N 3.1Å; E75-L78 WeakPolarHBondContact O-CB 3.13Å; E75-L78 PolarHBondContact O-N 2.76Å; R76-L78 VanDerWaalsContact C-N 3.33Å; R76-L78 PolarHBondContact O-N 3.11Å; L78-C80 VanDerWaalsContact C-N 3.32Å; L78-D81 WeakPolarHBondContact O-CB 3.35Å; L78-D81 PolarHBondContact O-N 2.88Å; L78-I95 HydrophobicContact CD2-CG2 4.26Å; L78-I97 HydrophobicContact CD1-CD1 3.65Å; L78-I97 HydrophobicContact CD1-CG1 3.54Å; L78-I97 HydrophobicContact CD2-CG1 3.92Å; L78-I97 HydrophobicContact CG-CG1 4.28Å
79E74.8Confident67.3Low119 Ų11981.6 Ų81.656%0.55640%0.401SS*.Hα-helixtrans-72.8-25.6175.2-65-174.1113.400113.3E75 R76 A77 D81 R83E75-E79 PolarHBondContact O-N 3.14Å; E75-E79 VanDerWaalsContact O-N 3.13Å; R76-E79 PolarHBondContact O-N 3.32Å; A77-E79 VanDerWaalsContact C-N 3.33Å; E79-D81 VanDerWaalsContact C-N 3.31Å; E79-R83 PolarHBondContact O-NH1 3Å
80C64.4Low65.7Low49 Ų4982.3 Ų82.333%0.33142%0.42SS..THydrogen-bonded Turntrans-82.6-4.9173.4-70.20000113.6R76 A77 L78 G82R76-C80 PolarHBondContact O-N 2.84Å; R76-C80 VanDerWaalsContact O-N 3.14Å; R76-C80 PolarHBondContact O-SG 2.76Å; A77-C80 PolarHBondContact O-N 3.3Å; L78-C80 VanDerWaalsContact C-N 3.32Å; C80-G82 PolarHBondContact O-N 3.23Å
81D61.4Low64.5Low13 Ų1381.9 Ų81.97%0.0742%0.421CS..THydrogen-bonded Turntrans-53.2132.1173.5170.8-75.6000111.2R10 A77 L78 E79 R83 R94 I95R10-D81 VanDerWaalsContact CZ-CG 3.4Å; R10-D81 IonicContact CZ-OD1 2.89Å; R10-D81 IonicContact CZ-OD2 3.49Å; R10-D81 IonicContact NE-OD1 3.91Å; R10-D81 IonicContact NE-OD2 3.98Å; R10-D81 IonicContact NH1-OD1 2.75Å; R10-D81 PolarHBondContact NH1-OD1 2.8Å; R10-D81 IonicContact NH2-OD1 2.59Å; R10-D81 PolarHBondContact NH2-OD1 2.85Å; R10-D81 IonicContact NH2-OD2 2.89Å; R10-D81 PolarHBondContact NH2-OD2 2.78Å; A77-D81 PolarHBondContact O-N 2.99Å; L78-D81 WeakPolarHBondContact O-CB 3.35Å; L78-D81 PolarHBondContact O-N 2.88Å; E79-D81 VanDerWaalsContact C-N 3.31Å; D81-R83 PolarHBondContact O-N 2.77Å; D81-R94 WeakPolarHBondContact OD2-CA 3.49Å; D81-I95 HydrophobicContact CB-CB 4.03Å; D81-I95 HydrophobicContact CB-CG1 4.4Å; D81-I95 PolarHBondContact OD2-N 3.49Å
82G54.6Low63.8Low25 Ų2582.8 Ų82.826%0.25843%0.43SS..THydrogen-bonded Turntrans69.4-4.3167.600000116.6C80 L93C80-G82 PolarHBondContact O-N 3.23Å; G82-L93 WeakPolarHBondContact CA-O 3.32Å; G82-L93 PolarHBondContact N-O 3.3Å
83R48.5Very low63.5Low198 Ų19878.9 Ų78.975%0.74741%0.409SS*.THydrogen-bonded Turntrans-88-20.9178-73.2-171.5175.7134.2-8.6114E79 D81 K85E79-R83 PolarHBondContact O-NH1 3Å; D81-R83 PolarHBondContact O-N 2.77Å; R83-K85 PolarHBondContact O-N 2.97Å
84I50.1Low63.4Low67 Ų6784.2 Ų84.234%0.34443%0.428SS..  trans-87.797.3175.5-54.3164.2000107.4L86 L93I84-L86 PolarHBondContact O-N 2.71Å; I84-L93 HydrophobicContact CB-CD1 3.91Å; I84-L93 HydrophobicContact CD1-CD1 4.31Å; I84-L93 HydrophobicContact CG2-CD1 4.12Å
85K46.2Very low63.5Low173 Ų17384.4 Ų84.475%0.75243%0.429SS*.  trans-72.4108.9159.5-65-179.2-177.4179.20105.6R83 D87R83-K85 PolarHBondContact O-N 2.97Å; K85-D87 PolarHBondContact O-N 3.28Å
86L52.1Low63.5Low60 Ų6081.8 Ų81.831%0.31442%0.418SS..  trans-73.3122.9167.3-154.275.1000106.2P29 I84 D88 L89P29-L86 HydrophobicContact CB-CD2 4.46Å; P29-L86 HydrophobicContact CG-CD2 3.45Å; P29-L86 VanDerWaalsContact CG-CD2 3.45Å; I84-L86 PolarHBondContact O-N 2.71Å; L86-D88 PolarHBondContact O-N 2.76Å; L86-L89 PolarHBondContact O-N 2.95Å; L86-L89 VanDerWaalsContact O-N 3.11Å
87D54.2Low63.6Low157 Ų15775.9 Ų75.984%0.8440%0.397SS*.THydrogen-bonded Turntrans-53.68.2-164.8-81.2-89.3000118.5K85K85-D87 PolarHBondContact O-N 3.28Å
88D55.3Low63.8Low155 Ų15576.7 Ų76.783%0.82940%0.403SS*.THydrogen-bonded Turntrans-139.17.8178.2-86.8-77.8000115.1L86L86-D88 PolarHBondContact O-N 2.76Å
89L53.7Low63.3Low91 Ų9179.7 Ų79.748%0.47642%0.419SS..  trans-131.2128.2176-75.4167.9000112.9P29 L86 A91P29-L89 HydrophobicContact CB-CD1 3.46Å; P29-L89 VanDerWaalsContact CB-CD1 3.46Å; P29-L89 HydrophobicContact CG-CD1 4.33Å; L86-L89 PolarHBondContact O-N 2.95Å; L86-L89 VanDerWaalsContact O-N 3.11Å; L89-A91 PolarHBondContact O-N 2.96Å
90S48.8Very low62.5Low136 Ų13680 Ų8095%0.95142%0.416SS*.SBendtrans-629.4176.4-173.90000114.6
91A57.9Low62.1Low37 Ų3788.6 Ų88.631%0.30644%0.441SS..SBendtrans-126.8124.7-169.600000110.8N27 L89N27-A91 WeakPolarHBondContact ND2-CB 3.23Å; N27-A91 PolarHBondContact ND2-O 3.25Å; N27-A91 WeakPolarHBondContact OD1-CB 3.32Å; L89-A91 PolarHBondContact O-N 2.96Å
92P66.8Low61.6Low77 Ų7796 Ų9650%0.547%0.472SS..  trans-69.8138.6179.927.7-33.5000111.7N27 R94N27-P92 VanDerWaalsContact ND2-C 3.32Å; N27-P92 PolarHBondContact ND2-O 2.75Å; P92-R94 PolarHBondContact O-N 3.43Å
93L74.9Confident61.3Low8 Ų8101.3 Ų101.34%0.04250%0.495CS..  trans-55.7136.7174.1-66.7-178.2000110.5L28 G82 I84L28-L93 HydrophobicContact CD2-CD2 3.55Å; L28-L93 HydrophobicContact CG-CD2 4.14Å; G82-L93 WeakPolarHBondContact CA-O 3.32Å; G82-L93 PolarHBondContact N-O 3.3Å; I84-L93 HydrophobicContact CB-CD1 3.91Å; I84-L93 HydrophobicContact CD1-CD1 4.31Å; I84-L93 HydrophobicContact CG2-CD1 4.12Å
94R78.1Confident61.2Low125 Ų12597.1 Ų97.147%0.47249%0.487SS..EExtended strand (participates in β ladder)trans-112.2115-179.5-175.8178175.7-137.8-9.1110.8V25 G26 D81 P92 D96V25-R94 CarbonylContact C-O 3.46Å; V25-R94 WeakPolarHBondContact CA-O 3.23Å; G26-R94 PolarHBondContact N-O 2.94Å; G26-R94 PolarHBondContact O-N 3.05Å; D81-R94 WeakPolarHBondContact OD2-CA 3.49Å; P92-R94 PolarHBondContact O-N 3.43Å; R94-D96 IonicContact NH2-OD2 3.31Å; R94-D96 PolarHBondContact NH2-OD2 3.28Å
95I81.5Confident61.2Low4 Ų4104.3 Ų104.32%0.02151%0.51CS..EExtended strand (participates in β ladder)trans-109.4123.1175.9-51.2174.8000108.4A23 F24 V25 F41 A77 L78 D81A23-I95 HydrophobicContact CB-CG2 4.17Å; F24-I95 CarbonylContact O-C 3.49Å; F24-I95 VanDerWaalsContact O-CA 3.23Å; F24-I95 WeakPolarHBondContact O-CA 3.43Å; V25-I95 HydrophobicContact CG1-CG1 4.19Å; V25-I95 HydrophobicContact CG2-CG1 4.24Å; V25-I95 HydrophobicContact CG2-CG2 4.43Å; F41-I95 HydrophobicContact CE1-CD1 4.28Å; F41-I95 HydrophobicContact CZ-CD1 4.38Å; A77-I95 HydrophobicContact CB-CG2 4.49Å; A77-I95 WeakPolarHBondContact O-CD1 3.37Å; L78-I95 HydrophobicContact CD2-CG2 4.26Å; D81-I95 HydrophobicContact CB-CB 4.03Å; D81-I95 HydrophobicContact CB-CG1 4.4Å; D81-I95 PolarHBondContact OD2-N 3.49Å
96D80.9Confident61.1Low35 Ų35100.4 Ų100.419%0.18750%0.502CS..EExtended strand (participates in β ladder)trans-129.2150.8178.2-155.6-94.5000109.1K13 F24 R94 A98K13-D96 IonicContact NZ-OD1 2.83Å; K13-D96 PolarHBondContact NZ-OD1 2.79Å; F24-D96 HydrophobicContact CB-CB 4.38Å; F24-D96 HydrophobicContact CD1-CB 4.03Å; F24-D96 PolarHBondContact N-O 3.17Å; F24-D96 PolarHBondContact O-N 3.49Å; R94-D96 IonicContact NH2-OD2 3.31Å; R94-D96 PolarHBondContact NH2-OD2 3.28Å; D96-A98 PolarHBondContact O-N 3.02Å
97I81.3Confident61Low14 Ų14101.4 Ų101.47%0.07253%0.528CS..EExtended strand (participates in β ladder)trans-67.9119172.6-62.7165.5000108.4K13 L15 L74 L78 D99K13-I97 HydrophobicContact CB-CB 4.46Å; K13-I97 HydrophobicContact CB-CD1 3.99Å; K13-I97 WeakPolarHBondContact O-CD1 3.44Å; L15-I97 HydrophobicContact CD2-CD1 3.69Å; L15-I97 HydrophobicContact CD2-CG1 4.44Å; L74-I97 HydrophobicContact CD2-CG1 4.49Å; L78-I97 HydrophobicContact CD1-CD1 3.65Å; L78-I97 HydrophobicContact CD1-CG1 3.54Å; L78-I97 HydrophobicContact CD2-CG1 3.92Å; L78-I97 HydrophobicContact CG-CG1 4.28Å; I97-D99 PolarHBondContact O-N 2.78Å
98A78.3Confident61Low16 Ų1697.5 Ų97.513%0.13252%0.524CS..  trans-85.498.2174.300000108.8I22 F24 Y65 D96I22-A98 HydrophobicContact CB-CB 3.97Å; I22-A98 HydrophobicContact CG2-CB 3.69Å; I22-A98 WeakPolarHBondContact O-CA 3.1Å; I22-A98 WeakPolarHBondContact O-CB 3.3Å; I22-A98 PolarHBondContact O-N 3.04Å; F24-A98 HydrophobicContact CB-CB 4.08Å; Y65-A98 HydrophobicContact CD1-CB 4Å; Y65-A98 HydrophobicContact CE1-CB 4.25Å; D96-A98 PolarHBondContact O-N 3.02Å
99D65.7Low60.4Low114 Ų11493.3 Ų93.361%0.6152%0.518SS*.  trans-63.9140.5172.1-164.5-108.7000110.2I97 R101I97-D99 PolarHBondContact O-N 2.78Å; D99-R101 PolarHBondContact O-N 3.47Å
100R58.7Low60.4Low127 Ų12796.8 Ų96.848%0.47954%0.543SS..  trans-63105.1169.1-140.7-174.2-154.3-111.12.6106K102R100-K102 PolarHBondContact O-N 3.32Å
101R54.4Low60.2Low229 Ų22993.8 Ų93.886%0.86453%0.533SS*.  trans-56.6102.5146-64.5-170-155175.66103.7D99 N103D99-R101 PolarHBondContact O-N 3.47Å; R101-N103 VanDerWaalsContact C-N 3.28Å; R101-N103 PolarHBondContact O-N 3.26Å
102K51.3Low59.6Low167 Ų16796 Ų9673%0.72656%0.56SS**  trans-42.999.2179.2-66.6176.4-176.7-175.10106.8R100 D104R100-K102 PolarHBondContact O-N 3.32Å; K102-D104 HydrophobicContact CB-CB 4.27Å; K102-D104 CarbonylContact O-C 3.57Å; K102-D104 PolarHBondContact O-N 3.48Å
103N48.7Very low58.5Low137 Ų13795.7 Ų95.773%0.73357%0.57SS**  trans-81.515.8172.3-147.620.7000109.3R101 R105R101-N103 VanDerWaalsContact C-N 3.28Å; R101-N103 PolarHBondContact O-N 3.26Å; N103-R105 PolarHBondContact O-N 3.14Å
104D47.1Very low57.2Low110 Ų110103.9 Ų103.959%0.58861%0.614SS**  trans-58.264.8138.1-43.1-74.2000108.6K102 P106K102-D104 HydrophobicContact CB-CB 4.27Å; K102-D104 CarbonylContact O-C 3.57Å; K102-D104 PolarHBondContact O-N 3.48Å; D104-P106 VanDerWaalsContact C-N 3.27Å; D104-P106 WeakPolarHBondContact O-CD 3.4Å
105R48.8Very low55.5Low219 Ų21999.8 Ų99.883%0.82661%0.611SS**  trans-77.892142.1-168.3170.4-176170.6-0.3103.5N103 G107N103-R105 PolarHBondContact O-N 3.14Å; R105-G107 PolarHBondContact O-N 3.04Å
106P44.3Very low53.9Low90 Ų90103.3 Ų103.358%0.58465%0.649SS**  trans-54.1135.9160.528.3-33.7000105.3D104 G108D104-P106 VanDerWaalsContact C-N 3.27Å; D104-P106 WeakPolarHBondContact O-CD 3.4Å; P106-G108 PolarHBondContact O-N 3.37Å
107G51.1Low52.1Low82 Ų82109.1 Ų109.185%0.84568%0.676SS**SBendtrans-50.5121.8159.800000107.7R105R105-G107 PolarHBondContact O-N 3.04Å
108G53.5Low50.4Low74 Ų74115 Ų11576%0.76371%0.713SS**  trans76.6113171.500000115.2P106P106-G108 PolarHBondContact O-N 3.37Å
109G42.6Very low48.9Very low68 Ų68126 Ų12670%0.70175%0.751SS**  trans-177.183.517300000111.7G111G109-G111 PolarHBondContact O-N 3.35Å; G109-G111 VanDerWaalsContact O-N 3.12Å
110V53.7Low47.8Very low164 Ų164123.3 Ų123.399%0.99475%0.751SS**  trans-45.2114.1153.7174.60000107.7
111G44.3Very low47Very low73 Ų73125 Ų12575%0.75377%0.769SS**  trans-173.835.9-168.800000116.4G109G109-G111 PolarHBondContact O-N 3.35Å; G109-G111 VanDerWaalsContact O-N 3.12Å
112G46.5Very low46.2Very low84 Ų84117.8 Ų117.887%0.86677%0.766SS**  trans-126.138.4162.100000109.8N114G112-N114 PolarHBondContact O-N 2.83Å
113G43.6Very low45.9Very low70 Ų70113.5 Ų113.572%0.72277%0.769SS**  trans-87.5103-178.400000110.4G115G113-G115 PolarHBondContact O-N 2.76Å
114N46.4Very low45.5Very low179 Ų179118.5 Ų118.596%0.95778%0.778SS**  trans-68.687.5150.3-156.9-30.7000106.3G112G112-N114 PolarHBondContact O-N 2.83Å
115G42.4Very low45.2Very low40 Ų40121.1 Ų121.141%0.41279%0.792SS.*  trans-166.378.2-170.400000109.2G113 M117G113-G115 PolarHBondContact O-N 2.76Å; G115-M117 VanDerWaalsContact C-N 3.3Å; G115-M117 VanDerWaalsContact C-SD 3.57Å; G115-M117 PolarHBondContact O-N 2.94Å; G115-M117 VanDerWaalsContact O-SD 3.41Å
116G49Very low44.7Very low78 Ų78113.8 Ų113.880%0.80478%0.784SS**  trans-61.494.1168.300000109.7
117M42Very low44.6Very low157 Ų157119.4 Ų119.477%0.77380%0.8SS**  trans-115.180.2161.5-7084.2-17000107.3G115 R119G115-M117 VanDerWaalsContact C-N 3.3Å; G115-M117 VanDerWaalsContact C-SD 3.57Å; G115-M117 PolarHBondContact O-N 2.94Å; G115-M117 VanDerWaalsContact O-SD 3.41Å; M117-R119 PolarHBondContact O-N 2.93Å
118T45.6Very low44.4Very low138 Ų138123.5 Ų123.585%0.84780%0.797SS**  trans-48.5110.1157.3-61.50000107.7G120T118-G120 PolarHBondContact O-N 3.39Å
119R47.5Very low43.9Very low246 Ų246130 Ų13093%0.92880%0.804SS**  trans-68.786.9163.9-65.2179.7-178.7178.80107.3M117M117-R119 PolarHBondContact O-N 2.93Å
120G41.4Very low43.5Very low58 Ų58139 Ų13960%0.59882%0.817SS**  trans-97.8104.6147.400000105.2T118T118-G120 PolarHBondContact O-N 3.39Å
121D41.9Very low42.5Very low163 Ų163134.6 Ų134.687%0.87281%0.805SS**  61102.185.5-158.7-102.1000111.2
122G39.1Very low42.6Very low76 Ų76137.4 Ų137.478%0.78481%0.809SS**  trans67.8101.6143.800000119.2
123G43.4Very low42.9Very low78 Ų78138.5 Ų138.580%0.80480%0.801SS**  trans98.390.1134.600000117
124R42.3Very low42.5Very low242 Ų242145.9 Ų145.991%0.91381%0.807SS**SBendtrans-126.650.8155.1-160.7161.4-171.1162.82.1111.3
125D40Very low41.9Very low165 Ų165146 Ų14688%0.88280%0.802SS**  trans-135.899.4166-60.4-68.7000106.7
126G38.3Very low41.5Very low64 Ų64148.2 Ų148.266%0.6682%0.824SS**  trans176.945.8-171.100000114.2Q128G126-Q128 PolarHBondContact O-N 2.83Å
127F41.2Very low40.9Very low209 Ų209147.6 Ų147.692%0.91782%0.819SS**  trans-6861.6171.2-115.3-90.9000111.3
128Q47.6Very low40.3Very low168 Ų168145.7 Ų145.779%0.78582%0.82SS**  trans-15597.8166.6-75.2956.100112.8G126G126-Q128 PolarHBondContact O-N 2.83Å
129K43.1Very low39.7Very low211 Ų211142.9 Ų142.992%0.91781%0.807SS**  trans-132.1109.1144.4-72.8-159.7177-170.50110
130R35Very low39Very low257 Ų257138.9 Ų138.997%0.9780%0.799SS**  trans-17.7135.2157-75.4164.1149.9-169.4-6.8113.4
131G31.4Very low38.5Very low71 Ų71141.1 Ų141.173%0.73281%0.805SS**  cis173.5-157.31100000106.8
132P47.2Very low38.2Very low131 Ų131143.3 Ų143.385%0.85180%0.802SS**  cis-115.7-172.6-33.443.2-26.6000110.9
133P53.5Low38Very low108 Ų108144.8 Ų144.870%0.70180%0.801SS**  trans-105.6178.7-143.939.6-34000116.3
134R33.7Very low37.4Very low225 Ų225153.1 Ų153.185%0.84981%0.808SS**  trans98.5119.1157.7-60168.4170.6-129-2.8115.9
135Q34.4Very low36.8Very low182 Ų182145 Ų14585%0.8580%0.799SS**  148.7120.4101.9-168.1117.126.100111.1
136G33.3Very low36.5Very low85 Ų85140.7 Ų140.788%0.87679%0.794SS**  trans77.5141.2155.400000114.8
137G36.4Very low36.8Very low66 Ų66144 Ų14468%0.6880%0.804SS**  cis-177.4144.75.400000103.6
138S30.1Very low36.5Very low116 Ų116137.1 Ų137.181%0.81179%0.792SS**  56.8115.9101.5-161.20000110.4
139S32.2Very low35.8Very low80 Ų80136.2 Ų136.256%0.55980%0.798SS**  cis160.3151.332.228.20000105.1
140Q34.5Very low35.2Very low162 Ų162130.2 Ų130.276%0.75780%0.797SS**  trans50.2116.4143-81.180.7-24.100118.7
141S29.9Very low35Very low104 Ų104121.9 Ų121.973%0.72779%0.79SS**  59.89984.1175.40000114.5
142Y35.3Very low34.9Very low210 Ų210122.6 Ų122.682%0.82480%0.798SS**  -171.5121.7128.552.1-93.9000106.9
143S35.2Very low34.3Very low107 Ų107119.8 Ų119.875%0.74879%0.792SS**  48.4131.288-69.50000113.8
144R30.9Very low33.3Very low252 Ų252125.2 Ų125.295%0.95180%0.799SS**  trans109.2111143.9-152.7176.2-159.8-170.83.1116.2
145G30.2Very low33.1Very low71 Ų71123 Ų12373%0.73280%0.798SS**  trans103.3109.3135.700000116.2
146G33.3Very low33.2Very low76 Ų76118 Ų11878%0.78480%0.796SS**  trans-65.7-173.9137.800000110.3
147P45.5Very low33.2Very low132 Ų132117.8 Ų117.886%0.85779%0.794SS**  cis-129.8-178.516.132.2-9.5000113.4
148G34.3Very low32.9Very low65 Ų65118.6 Ų118.667%0.6780%0.802SS**  trans-76.4179.2-170.200000117.1
149T31.6Very low33Very low150 Ų150116.7 Ų116.792%0.9280%0.801SS**  trans177.8131.415112.30000110.1
150G30.5Very low33.1Very low85 Ų85119 Ų11988%0.87682%0.817SS**  trans65134.815500000117.3
151G30.9Very low33.1Very low81 Ų81114.4 Ų114.484%0.83581%0.813SS**  cis130.4108.125.400000108.4
152G30.7Very low33.2Very low87 Ų87116.6 Ų116.690%0.89782%0.816SS**  trans84.2138.6149.100000119.7
153G33Very low33.1Very low71 Ų71118.2 Ų118.273%0.73282%0.821SS**  trans126.280.5160.400000113
154R33.6Very low32.9Very low223 Ų223116.5 Ų116.584%0.84282%0.821SS**  69.3111.190.7-74-175.8-177.9-161.83.5114.5
155E29.9Very low33.1Very low177 Ų177112.3 Ų112.383%0.82782%0.817SS**  trans73.9135.8133.8-62.816688.600119.7
156G35.5Very low33.2Very low78 Ų78112.9 Ų112.980%0.80481%0.81SS**  trans119.297.5168.100000111
157G33.4Very low33.4Very low81 Ų81120 Ų12084%0.83581%0.813SS**  cis101.511047.100000106.6
158G30.4Very low33Very low83 Ų83121 Ų12186%0.85681%0.811SS**  trans-69.4165.7-166.600000115.7
159G33.2Very low32.9Very low76 Ų76129.4 Ų129.478%0.78482%0.823SS**  103.8157.6115.100000118.3
160S34.1Very low33.3Very low129 Ų129128.2 Ų128.290%0.90282%0.817SS**  trans83.7133161.4-141.90000115.8
161G33.2Very low33.8Very low65 Ų65129.3 Ų129.367%0.6782%0.818SS**  cis-165.1-175.7400000106.4
162N33Very low34Very low149 Ų149131.8 Ų131.880%0.79781%0.812SS**  cis179.1169.633.5-132.1-46.7000109.3
163R32.7Very low34.2Very low244 Ų244139.1 Ų139.192%0.92181%0.813SS**  trans87.7114.4172-49.7-179.5-1601755.6114.2
164G32Very low34.2Very low72 Ų72138.9 Ų138.974%0.74281%0.81SS**  cis140.7150.816.300000107.7
165D34.1Very low34.1Very low164 Ų164140 Ų14088%0.87781%0.814SS**  trans84.2122.2172.6-120.4-99.1000116.8
166S32.1Very low34.2Very low83 Ų83142.5 Ų142.558%0.5882%0.818SS**  cis-161.9123.31.7-96.50000107.8
167R37.2Very low34.1Very low226 Ų226141.4 Ų141.485%0.85381%0.807SS**  62.5127109.7-64.5-170.1-179178.12.4117.3
168D36.9Very low34.2Very low151 Ų151142.8 Ų142.881%0.80780%0.804SS**  trans95.775.2156.9-49.7-46.9000121.2
169R33.5Very low34.2Very low243 Ų243147.9 Ų147.992%0.91780%0.802SS**  -170.1128.4128.2-120.8168.1171.8162-3.1113.8
170P40.3Very low34.2Very low125 Ų125151.3 Ų151.381%0.81280%0.803SS**  trans-81.5143.1-174.731.9-33.3000113.1
171A40.5Very low34.3Very low107 Ų107151.8 Ų151.888%0.88480%0.795SS**  trans-91.3126.4160.500000109.8
172N34.2Very low34.5Very low134 Ų134155.6 Ų155.672%0.71780%0.8SS**  trans-142.698.1168.6-156.9-5.5000106.1
173R35.5Very low34.5Very low241 Ų241156.7 Ų156.791%0.90981%0.806SS**  67.7130.1100.4-161.3-171.1-82.3-176.3-5.6111.9
174G32.3Very low34.6Very low66 Ų66156.4 Ų156.468%0.6881%0.805SS**  cis-154168.27.800000109.4
175R31.9Very low35.2Very low245 Ų245157.8 Ų157.893%0.92580%0.801SS**  75.794.154.9-145.5-138.1-133.7-112.16.6114.1
176Y32.3Very low35Very low231 Ų231158.8 Ų158.891%0.90680%0.798SS**  trans-138.3141130.875.2-88.6000104.8
177G32.6Very low34.9Very low55 Ų55162 Ų16257%0.56780%0.803SS**  cis154.4106.111.800000104.2
178S36.3Very low34.5Very low110 Ų110163 Ų16377%0.76981%0.807SS**  trans-98.6124.9-179.8-170.20000108.5
179F31Very low34.3Very low189 Ų189162.7 Ų162.783%0.82981%0.806SS**  trans-145.2108.7162-65.9-69.1000110.4
180N32.3Very low34.3Very low149 Ų149159.7 Ų159.780%0.79780%0.802SS**  trans47.2146135.8-67.2-27.3000123.4
181N36.9Very low34Very low139 Ų139161.7 Ų161.774%0.74381%0.806SS**  trans-64.6169.5-177.3-65.7-66.5000116.2
182D36Very low33.8Very low145 Ų145167.9 Ų167.978%0.77581%0.807SS**  trans100.796150.1-61-62.4000117.2
183D33.5Very low33.8Very low172 Ų172168.4 Ų168.492%0.9281%0.809SS**  -172.7129.5129-87.9-46.1000111
184R35.4Very low33.6Very low237 Ų237168 Ų16889%0.89481%0.808SS**  trans-70.6178.6-178.2-67.2-170.9-175.71702.7112.2
185P44.9Very low33.5Very low101 Ų101168.7 Ų168.766%0.65682%0.815SS**  cis-152.2175.324.434.8-7.7000120.8
186F29.7Very low33.6Very low185 Ų185166 Ų16681%0.81181%0.813SS**  trans100.7138.2148.4-69.9-57.8000123.8
187E29Very low33.6Very low150 Ų150166.3 Ų166.370%0.70181%0.812SS**  trans21.3116.3178-86.589.6146.700123.1
188R29.5Very low33.5Very low247 Ų247172.8 Ų172.893%0.93283%0.828SS**  trans-137.7122.9133-162.4173.7-72.4-152.4-0.5111.2
189N32.1Very low33.2Very low145 Ų145170.8 Ų170.878%0.77582%0.824SS**  trans-48.1137.4-172.4-76-52.9000115.2
190Q35.1Very low33.8Very low181 Ų181166.9 Ų166.985%0.84682%0.821SS**  trans-70.8131.6159.4-68165.91000108.7
191D32.5Very low33.8Very low167 Ų167170.3 Ų170.389%0.89382%0.824SS**  trans-147.791.1142.4-83.6-52.1000107.5
192R37.6Very low33.5Very low236 Ų236167.2 Ų167.289%0.89183%0.825SS**  trans-85.3128.7151.7-82.3-174.3-177.3174.61.6105.8
193D32.8Very low33.7Very low145 Ų145167.5 Ų167.578%0.77583%0.827SS**  trans-166.1144.6131.3-120-59.9000114.3
194R31.5Very low33.8Very low234 Ų234167.8 Ų167.888%0.88382%0.822SS**  trans69.8114.1158.7-71.7176.4-170158.54.8121.8
195G30.3Very low34.2Very low80 Ų80161.7 Ų161.783%0.82582%0.816SS**  trans160.754.1145.700000117.5
196Q35.3Very low34Very low189 Ų189167.4 Ų167.488%0.88383%0.825SS**  trans-66.5124.5162.5-73.6-85.32600110.2
197R30.5Very low34.4Very low237 Ų237165.3 Ų165.389%0.89482%0.822SS**  trans-163.1120.1144.4-120.2179.9-177-143.6-0.1114.2
198E30.3Very low34.9Very low190 Ų190161.9 Ų161.989%0.88883%0.826SS**  trans-15.7149.9163.7-56.4-174.7141.900121.2
199G30.6Very low35.5Very low68 Ų68156.9 Ų156.970%0.70182%0.818SS**  trans167.365.215900000115.5
200S43.7Very low36Very low108 Ų108161 Ų16176%0.75582%0.823SS**  trans-9498170.3160.90000110.7
201Y31.8Very low36.2Very low220 Ų220162.7 Ų162.786%0.86382%0.823SS**  trans-158.2139.4151.6-24.1-89.9000110.5
202G32.5Very low36.8Very low74 Ų74161.2 Ų161.276%0.76382%0.815SS**  trans114.285.1150.500000116.9Q204G202-Q204 PolarHBondContact O-N 2.89Å
203N39.4Very low36.9Very low152 Ų152155.4 Ų155.481%0.81380%0.802SS**  trans-62.4116.2150.1-168.3-45.4000108.4
204Q35.1Very low37.4Very low177 Ų177158.1 Ų158.183%0.82781%0.807SS**  trans-157.9105160.9-105.8154.846.700110.1G202 R206G202-Q204 PolarHBondContact O-N 2.89Å; Q204-R206 PolarHBondContact O-N 2.69Å
205S43.7Very low38.2Very low109 Ų109154 Ų15476%0.76280%0.803SS**  trans-62.8121157.1-62.20000108.9
206R41.4Very low38.7Very low222 Ų222160.1 Ų160.184%0.83880%0.801SS**  trans151.8128.2167.3-93.8173.3-170.6-154.83106.5Q204Q204-R206 PolarHBondContact O-N 2.69Å
207D37.4Very low38.9Very low141 Ų141159.1 Ų159.175%0.75480%0.796SS**  cis-152.2112.323.2-73.1-69.7000108.4
208G39.8Very low39.6Very low77 Ų77158.8 Ų158.879%0.79480%0.795SS**  trans-103.34.8171.600000113.7
209D41.2Very low40.2Very low142 Ų142156.8 Ų156.876%0.75979%0.79SS**  trans-108.739.7-165-66.9-62.5000114.1
210R43.2Very low41Very low231 Ų231164.7 Ų164.787%0.87280%0.799SS**SBendtrans-98.29.1179.1-125.5-160.7-96.1-171-2.6116.9
211Y38.8Very low41Very low218 Ų218168.4 Ų168.486%0.85580%0.804SS**SBendtrans-136.821.5179.2-85.7-80.2000116.9
212N44.8Very low41.4Very low136 Ų136167.8 Ų167.873%0.72780%0.8SS**  trans-123.541.8177.3-78-44.6000113.9
213N41.1Very low42Very low114 Ų114170.7 Ų170.761%0.6180%0.803SS**  trans-115.631.3179.5-155.928.9000115.1
214F43.8Very low42.2Very low201 Ų201170.6 Ų170.688%0.88280%0.798SS**SBendtrans-107.6-10.5172.1-81.1-79.9000114.4
215N46.9Very low42.4Very low149 Ų149172 Ų17280%0.79780%0.797SS**SBendtrans-110.13.7-171.2-99.227.2000116.2
216R42Very low42.4Very low207 Ų207171.3 Ų171.378%0.78179%0.785SS**SBendtrans-101.80.3-176.8-97.5-164.3-81.2179.9-5.8116.4
217H39.3Very low42.7Very low169 Ų169165.2 Ų165.278%0.78277%0.774SS**SBendtrans-113.919.4-179.5-70.7-73.2000114.8
218R44.8Very low42.9Very low229 Ų229165.4 Ų165.486%0.86478%0.775SS**SBendtrans-91.5-8.2178.9-143.3-167.9-160.2-173.97.3115
219D42.8Very low43.1Very low149 Ų149169.2 Ų169.280%0.79777%0.772SS**SBendtrans-11634.7-169.3-61.7-65.4000114.1
220R48.1Very low43.3Very low233 Ų233171.9 Ų171.988%0.87978%0.78SS**SBendtrans-123-15.1175-129.8178.7-162.31576.1119.5
221E43Very low43.4Very low187 Ų187165.4 Ų165.487%0.87477%0.77SS**  trans-14492174.5-65.6-168.5-178.400111.2
222R40Very low43.4Very low206 Ų206164.1 Ų164.178%0.77777%0.772SS**  trans-129.960164.9-158-178.9-127.1-104.31.2109.5H224R222-H224 PolarHBondContact O-N 2.59Å; R222-H224 PolarHBondContact O-ND1 2.75Å; R222-H224 VanDerWaalsContact O-ND1 3.07Å
223T44.8Very low42.9Very low135 Ų135169.4 Ų169.483%0.82878%0.782SS**  trans-63.5116.7155.534.10000107.2Y225T223-Y225 PolarHBondContact O-N 3.33Å
224H45Very low42.8Very low150 Ų150170 Ų17069%0.69479%0.791SS**  trans-73.5107.5-179.3-69.966.7000108.4R222 N226R222-H224 PolarHBondContact O-N 2.59Å; R222-H224 PolarHBondContact O-ND1 2.75Å; R222-H224 VanDerWaalsContact O-ND1 3.07Å; H224-N226 PolarHBondContact O-N 3.44Å
225Y39Very low42.7Very low207 Ų207166.2 Ų166.281%0.81279%0.79SS**  trans-76.4114.7169.7-174.3-98.1000108.9T223 P227T223-Y225 PolarHBondContact O-N 3.33Å; Y225-P227 HydrophobicContact CE1-CB 4Å
226N44.1Very low42.1Very low95 Ų95163.2 Ų163.251%0.50879%0.794SS.*  trans-106112.8174.1-173.621.9000108.9H224 N228 Q229H224-N226 PolarHBondContact O-N 3.44Å; N226-N228 PolarHBondContact O-N 3.33Å; N226-Q229 PolarHBondContact ND2-NE2 3.44Å
227P45.8Very low41.7Very low94 Ų94156.8 Ų156.861%0.6179%0.793SS**THydrogen-bonded Turntrans-78.21.2-172.629.4-33.1000114.9Y225Y225-P227 HydrophobicContact CE1-CB 4Å
228N42.2Very low41.3Very low145 Ų145157.1 Ų157.178%0.77580%0.797SS**THydrogen-bonded Turntrans-118.233-170-89.54.8000115.6N226N226-N228 PolarHBondContact O-N 3.33Å
229Q44.5Very low40.9Very low157 Ų157152.6 Ų152.673%0.73480%0.795SS**  trans-122.9102.3170.5-68.9-172.431.100111.5N226N226-Q229 PolarHBondContact ND2-NE2 3.44Å
230Q45.4Very low40.5Very low198 Ų198148.9 Ų148.993%0.92579%0.791SS**  trans-100.195.2171.5-171.5168.340.400107.7
231S45.5Very low39.8Very low94 Ų94146.7 Ų146.766%0.65780%0.796SS**  trans-174.3108.7161.642.20000112.1
232E38.2Very low39.3Very low192 Ų192141.8 Ų141.890%0.89780%0.796SS**  trans68.699.3140.9-51.5-172.4119.900119.5
233R33.8Very low39Very low247 Ų247136.1 Ų136.193%0.93280%0.802SS**PPolyproline II helixtrans-94.9125.5161.3-58.4178.585.5-167.77.2109.1
234P38.9Very low38.4Very low125 Ų125133 Ų13381%0.81280%0.797SS**PPolyproline II helixtrans-84.2140.715930.3-26.6000110.7
235S43Very low37.9Very low122 Ų122132 Ų13285%0.85381%0.806SS**PPolyproline II helixtrans-73.1150.5177.252.20000113.9
236G33Very low37.6Very low86 Ų86126.3 Ų126.389%0.88781%0.811SS**  trans112.9135.7164.800000111.9
237G33.7Very low37Very low73 Ų73125.8 Ų125.875%0.75383%0.828SS**  cis156.6140.46.800000107.4
238M32.3Very low36.6Very low176 Ų176127.4 Ų127.487%0.86784%0.841SS**  trans83.2118.6151.3-113.7132108.600123.2
239T35.3Very low36.2Very low134 Ų134124.3 Ų124.382%0.82284%0.844SS**  84.1132.3127.850.40000123.8
240G34.2Very low35.9Very low70 Ų70120.4 Ų120.472%0.72285%0.846SS**  trans136.672155.100000113.7
241L34.2Very low35.4Very low187 Ų187119.4 Ų119.498%0.97985%0.846SS**  50.5113.899.3-71.1168000115.8
242G32.7Very low34.8Very low85 Ų85118.5 Ų118.588%0.87685%0.851SS**  trans171.485.116600000112.4
243G33.7Very low34.7Very low87 Ų87116.9 Ų116.990%0.89785%0.854SS**  trans-92.8164.4178.500000114.5
244G31.1Very low34.6Very low70 Ų70108.6 Ų108.672%0.72285%0.845SS**  trans152.983.7169.700000110.6
245S35.7Very low34.8Very low128 Ų128106.9 Ų106.990%0.89585%0.851SS**  79.3112.783.668.10000115.3
246G31.5Very low34.5Very low88 Ų88104.4 Ų104.491%0.90784%0.844SS**  trans115.4113.5142.600000117.3
247G32.9Very low34.7Very low83 Ų83106.2 Ų106.286%0.85684%0.843SS**  trans164.671.2166.200000115
248S36.7Very low35.1Very low129 Ų129108 Ų10890%0.90284%0.844SS**  trans-55.4142.1176.247.40000115.4
249G33.7Very low35.8Very low80 Ų80108.7 Ų108.783%0.82585%0.847SS**  trans177.662.4167.400000113.6
250G37.8Very low36.5Very low75 Ų75105.1 Ų105.177%0.77384%0.838SS**  trans-82.8121.6168.300000110.8
251L35.1Very low37.4Very low177 Ų177106.6 Ų106.693%0.92784%0.843SS**  trans-142.4103.3155.4-70.8178000107.4
252G34.4Very low38.6Very low74 Ų74104.8 Ų104.876%0.76383%0.833SS**  trans-87.6140.6160.900000109.4
253V34.1Very low40.1Very low158 Ų158105 Ų10596%0.95881%0.814SS**  trans163.1128.6142.8157.10000108.3
254G32.2Very low41.5Very low73 Ų73107 Ų10775%0.75380%0.804SS**  trans133.490.7159.600000114.2
255G44Very low43.2Very low90 Ų90110 Ų11093%0.92880%0.804SS**  trans-60.4132.6178.800000113.8
256G35.5Very low44.7Very low70 Ų70112 Ų11272%0.72280%0.799SS**  trans-129115.7161.900000107.1S258G256-S258 PolarHBondContact O-N 3.19Å; G256-S258 VanDerWaalsContact O-N 3.15Å
257S38.6Very low46.5Very low124 Ų124117.3 Ų117.387%0.86779%0.792SS**  trans-47.4115.7-177.7-48.90000111.6M259S257-M259 PolarHBondContact O-N 3.31Å
258S41.5Very low48.6Very low110 Ų110119.2 Ų119.277%0.76979%0.789SS**  trans-61.7107.2163.452.50000107.6G256 G260G256-S258 PolarHBondContact O-N 3.19Å; G256-S258 VanDerWaalsContact O-N 3.15Å; S258-G260 PolarHBondContact O-N 2.81Å
259M46.6Very low50.4Low190 Ų190124 Ų12494%0.93679%0.787SS**  trans-53.4113.7161.6-88.8-176.5169.600106.8S257 A261S257-M259 PolarHBondContact O-N 3.31Å; M259-A261 PolarHBondContact O-N 3.46Å
260G50.6Low52.5Low60 Ų60127.2 Ų127.262%0.61978%0.784SS**  trans-54.5138179.900000110S258 I262S258-G260 PolarHBondContact O-N 2.81Å; G260-I262 PolarHBondContact O-N 3.21Å; G260-I262 VanDerWaalsContact O-N 3.09Å
261A53.5Low54.2Low101 Ų101132.2 Ų132.284%0.83579%0.788SS**  trans-50.5119.2162.700000107.3M259 D263M259-A261 PolarHBondContact O-N 3.46Å; A261-D263 PolarHBondContact O-N 2.7Å
262I59.7Low55.8Low149 Ų149130.3 Ų130.376%0.76478%0.778SS**  trans-67107.9174.1-58.7176.7000105G260 D264G260-I262 PolarHBondContact O-N 3.21Å; G260-I262 VanDerWaalsContact O-N 3.09Å; I262-D264 PolarHBondContact O-N 3.15Å
263D63.6Low57.9Low89 Ų89135.6 Ų135.648%0.47678%0.78SS.*  trans-70.299.7175.2-166.8-73.1000108A261 N265 E266A261-D263 PolarHBondContact O-N 2.7Å; D263-N265 PolarHBondContact O-N 2.98Å; D263-N265 WeakPolarHBondContact OD1-CA 2.88Å; D263-N265 WeakPolarHBondContact OD1-CB 3.11Å; D263-N265 PolarHBondContact OD1-N 3.1Å; D263-N265 PolarHBondContact OD1-ND2 2.93Å; D263-N265 VanDerWaalsContact OD1-ND2 3.11Å; D263-E266 PolarHBondContact O-N 3.38Å
264D63.4Low59.7Low130 Ų130133.3 Ų133.370%0.69577%0.768SS**G310 helixtrans-62.2-6.9178.3-85.4-72.3000113.2I262I262-D264 PolarHBondContact O-N 3.15Å
265N65.6Low61.1Low133 Ų133141 Ų14171%0.71177%0.774SS**G310 helixtrans-82.9-12.4177.5-53.4-79.4000113.5D263 R267D263-N265 PolarHBondContact O-N 2.98Å; D263-N265 WeakPolarHBondContact OD1-CA 2.88Å; D263-N265 WeakPolarHBondContact OD1-CB 3.11Å; D263-N265 PolarHBondContact OD1-N 3.1Å; D263-N265 PolarHBondContact OD1-ND2 2.93Å; D263-N265 VanDerWaalsContact OD1-ND2 3.11Å; N265-R267 VanDerWaalsContact C-N 3.32Å
266E66.8Low61.9Low170 Ų170142.5 Ų142.579%0.79477%0.766SS**G310 helixtrans-86-4.4174.7-61.5-167.2130.100112.9D263D263-E266 PolarHBondContact O-N 3.38Å
267R69.5Low63.2Low199 Ų199146.3 Ų146.375%0.75177%0.768SS**SBendtrans-86.4120.4177.4-123.2176.5-173.9-1190.9110.9N265 R269N265-R267 VanDerWaalsContact C-N 3.32Å; R267-R269 PolarHBondContact O-N 2.88Å
268P78.3Confident64.3Low123 Ų123145.6 Ų145.680%0.79977%0.769SS**PPolyproline II helixtrans-61.4124.7179.823.6-32.4000110.7L270P268-L270 PolarHBondContact O-N 3.21Å
269R74.5Confident65.5Low229 Ų229143.1 Ų143.186%0.86476%0.756SS**PPolyproline II helixtrans-69.6120.5-178.9-69.5-174.6172.1-170.2-1.5110.5R267 Q271R267-R269 PolarHBondContact O-N 2.88Å; R269-Q271 PolarHBondContact O-N 2.92Å
270L76.5Confident66.4Low147 Ų147139.2 Ų139.277%0.7774%0.744SS**  trans-68.4111.3175.6-174.566.3000109.9P268 L272P268-L270 PolarHBondContact O-N 3.21Å; L270-L272 HydrophobicContact CB-CD1 4.44Å; L270-L272 HydrophobicContact CD2-CD1 3.94Å; L270-L272 HydrophobicContact CD2-CG 4.46Å; L270-L272 HydrophobicContact CG-CD1 3.99Å; L270-L272 PolarHBondContact O-N 3.13Å
271Q74Confident66.8Low180 Ų180144.4 Ų144.484%0.84176%0.756SS**  trans-82.698.2174.4-64.3-175.612.300109.6R269 K273R269-Q271 PolarHBondContact O-N 2.92Å; Q271-K273 PolarHBondContact O-N 3.26Å
272L68.9Low67.1Low138 Ų138147 Ų14772%0.72376%0.756SS**  trans-76.7115.5171.6-72.995.5000109.4L270L270-L272 HydrophobicContact CB-CD1 4.44Å; L270-L272 HydrophobicContact CD2-CD1 3.94Å; L270-L272 HydrophobicContact CD2-CG 4.46Å; L270-L272 HydrophobicContact CG-CD1 3.99Å; L270-L272 PolarHBondContact O-N 3.13Å
273K77.8Confident67.3Low185 Ų185143.3 Ų143.380%0.80475%0.748SS**  trans-64.1141.6166-66.7-179.8-179.8177.90109.1Q271 R275Q271-K273 PolarHBondContact O-N 3.26Å; K273-R275 PolarHBondContact O-N 3.31Å
274P73.2Confident67.1Low109 Ų109145 Ų14571%0.70876%0.761SS**  trans-59.2131.1177.424.7-32.9000109.5T276P274-T276 PolarHBondContact O-N 2.83Å
275R61Low66.7Low235 Ų235141.6 Ų141.689%0.88775%0.751SS**  trans-72.584.6170.7-69.1-175.8-179.6171.40.2108.2K273 I277K273-R275 PolarHBondContact O-N 3.31Å; R275-I277 PolarHBondContact O-N 3.15Å
276T61.9Low66.3Low122 Ų122143.5 Ų143.575%0.74876%0.756SS**  trans-75.3100.7166.949.60000107.8P274 A278P274-T276 PolarHBondContact O-N 2.83Å; T276-A278 PolarHBondContact O-N 3.05Å
277I62.3Low65.9Low150 Ų150140.6 Ų140.677%0.76975%0.75SS**  trans-79.5101.7171-51.6171.7000106.3R275 A279R275-I277 PolarHBondContact O-N 3.15Å; I277-A279 VanDerWaalsContact C-N 3.33Å
278A61.9Low65.1Low108 Ų108139.3 Ų139.389%0.89375%0.75SS**  trans-9522.3176.600000112.8T276T276-A278 PolarHBondContact O-N 3.05Å
279A66.3Low64.1Low58 Ų58142.2 Ų142.248%0.47975%0.753SS.*SBendtrans-122.2143.8179.800000111.1I277I277-A279 VanDerWaalsContact C-N 3.33Å
280P65.1Low63.2Low108 Ų108136.4 Ų136.470%0.70175%0.747SS**  trans-64.7144.3-178.626.9-34000111.7N282 A283P280-N282 PolarHBondContact O-N 3.31Å; P280-A283 PolarHBondContact O-N 2.97Å
281I58.7Low62.1Low170 Ų170132.2 Ų132.287%0.87273%0.734SS**THydrogen-bonded Turntrans-57.3-9.9-166.9-73.4166.7000115.3
282N61.1Low61.5Low154 Ų154128.3 Ų128.382%0.82473%0.726SS**THydrogen-bonded Turntrans-122.120.5-176-73.7-8000115.4P280 V284P280-N282 PolarHBondContact O-N 3.31Å; N282-V284 PolarHBondContact O-N 3.44Å
283A62.6Low61.2Low73 Ų73128.7 Ų128.760%0.60373%0.728SS**PPolyproline II helixtrans-79120.8171.100000110.9P280 A285P280-A283 PolarHBondContact O-N 2.97Å; A283-A285 PolarHBondContact O-N 3.07Å
284V60.2Low60.3Low123 Ų123128.6 Ų128.675%0.74573%0.728SS**PPolyproline II helixtrans-62123.9168.7-81.10000109.5N282 E286N282-V284 PolarHBondContact O-N 3.44Å; V284-E286 PolarHBondContact O-N 3.28Å
285A53.6Low59.9Low59 Ų59126.2 Ų126.249%0.48872%0.723SS.*PPolyproline II helixtrans-61.4132.9179.100000111.6A283 T287 K288A283-A285 PolarHBondContact O-N 3.07Å; A285-T287 PolarHBondContact O-N 3.14Å; A285-K288 PolarHBondContact O-N 3.05Å
286E58.8Low59.9Low173 Ų173122.9 Ų122.981%0.80872%0.723SS**G310 helixtrans-56.3-20.6178.2-100.7174.1144.300114.1V284 K288 Q289V284-E286 PolarHBondContact O-N 3.28Å; E286-K288 PolarHBondContact O-N 3.43Å; E286-K288 VanDerWaalsContact O-N 3.08Å; E286-Q289 PolarHBondContact O-N 3.25Å
287T56.9Low59.7Low110 Ų110121.4 Ų121.468%0.67572%0.723SS**G310 helixtrans-64.1-9.1173.135.60000114.2A285A285-T287 PolarHBondContact O-N 3.14Å
288K54.6Low59.7Low172 Ų172123.8 Ų123.875%0.74873%0.728SS**G310 helixtrans-84.2-14.5169.1-73.2-170.4175.2-175.60114.3A285 E286A285-K288 PolarHBondContact O-N 3.05Å; E286-K288 PolarHBondContact O-N 3.43Å; E286-K288 VanDerWaalsContact O-N 3.08Å
289Q56.9Low59.8Low183 Ų183124.2 Ų124.286%0.85572%0.721SS**THydrogen-bonded Turntrans-96.4-13.8-177.1-67-149.9-19.900114.7E286E286-Q289 PolarHBondContact O-N 3.25Å
290S55.6Low59.2Low107 Ų107130.9 Ų130.975%0.74873%0.734SS**SBendtrans-113.7-1.7-178.464.40000115.2
291A52.5Low59Low60 Ų60133.5 Ų133.550%0.49674%0.737SS.*  trans-10383.6176.900000110.6I293A291-I293 VanDerWaalsContact C-N 3.31Å; A291-I293 PolarHBondContact O-N 2.76Å
292S61.7Low59Low97 Ų97131.4 Ų131.468%0.67872%0.723SS**  trans-59.6100.1153.9-78.70000107.7F294S292-F294 PolarHBondContact O-N 3.47Å; S292-F294 VanDerWaalsContact O-N 3.17Å
293I62.4Low58.7Low147 Ų147131.9 Ų131.975%0.75472%0.718SS**SBendtrans-60-23.1-179.3-75.5168.4000112.1A291A291-I293 VanDerWaalsContact C-N 3.31Å; A291-I293 PolarHBondContact O-N 2.76Å
294F59.5Low58.4Low182 Ų182134 Ų13480%0.79872%0.719SS**SBendtrans-109.1110.5169.1-63.5-82.8000107.5S292S292-F294 PolarHBondContact O-N 3.47Å; S292-F294 VanDerWaalsContact O-N 3.17Å
295G65.1Low58.3Low60 Ų60136.1 Ų136.162%0.61972%0.718SS**  trans-54.8164.3177.400000112.4A297G295-A297 PolarHBondContact O-N 3.38Å
296N59.4Low58.5Low165 Ų165139.9 Ų139.988%0.88273%0.725SS**  trans-62.862-178.5-66.7-30.3000113.7K298N296-K298 PolarHBondContact O-N 3.2Å
297A57.7Low58.4Low90 Ų90137.6 Ų137.674%0.74472%0.718SS**PPolyproline II helixtrans-76.2118.8175.100000109.3G295G295-A297 PolarHBondContact O-N 3.38Å
298K63.7Low58.3Low201 Ų201139.2 Ų139.287%0.87472%0.718SS**PPolyproline II helixtrans-64.1131.7168.8-65.6-178.9178.9-178.30108.7N296N296-K298 PolarHBondContact O-N 3.2Å
299P63.6Low58.4Low117 Ų117137.9 Ų137.976%0.7671%0.714SS**PPolyproline II helixtrans-63.7141.8176.425-31.7000110.9E301P299-E301 PolarHBondContact O-N 2.68Å
300R53.8Low58.3Low198 Ų198135.1 Ų135.175%0.74771%0.706SS**PPolyproline II helixtrans-62.1126.7-179.8-156.7-176.5-165-152.210.5110.2E302R300-E302 IonicContact CZ-OE2 2.72Å; R300-E302 VanDerWaalsContact CZ-OE2 3.29Å; R300-E302 IonicContact NE-OE2 3.24Å; R300-E302 IonicContact NH1-OE2 3.58Å; R300-E302 PolarHBondContact NH1-OE2 2.84Å; R300-E302 PolarHBondContact O-N 2.86Å
301E60.6Low58.5Low163 Ų163135.1 Ų135.176%0.76270%0.701SS**THydrogen-bonded Turntrans-65.8-7.3-170.2-64.4177.7171.200115.5P299 K303 L304P299-E301 PolarHBondContact O-N 2.68Å; E301-K303 VanDerWaalsContact C-N 3.31Å; E301-K303 PolarHBondContact O-N 2.75Å; E301-L304 PolarHBondContact O-N 3.27Å
302E58.5Low58.7Low125 Ų125138.7 Ų138.758%0.58471%0.712SS**Hα-helixtrans-64.6-31.7-179.5-73.9175.9145.400113.2R300 L304 K305R300-E302 IonicContact CZ-OE2 2.72Å; R300-E302 VanDerWaalsContact CZ-OE2 3.29Å; R300-E302 IonicContact NE-OE2 3.24Å; R300-E302 IonicContact NH1-OE2 3.58Å; R300-E302 PolarHBondContact NH1-OE2 2.84Å; R300-E302 PolarHBondContact O-N 2.86Å; E302-L304 VanDerWaalsContact C-N 3.25Å; E302-L304 PolarHBondContact O-N 3.12Å; E302-K305 PolarHBondContact O-N 3.13Å
303K55.5Low58.4Low164 Ų164142.1 Ų142.171%0.71372%0.717SS**Hα-helixtrans-71.3-13.9179.5-93.5-170.4175.4-174.60114.7E301E301-K303 VanDerWaalsContact C-N 3.31Å; E301-K303 PolarHBondContact O-N 2.75Å
304L55.6Low58Low118 Ų118142.4 Ų142.462%0.61872%0.72SS**Hα-helixtrans-78.7-25.1178.6-78.2163.5000112.6E301 E302E301-L304 PolarHBondContact O-N 3.27Å; E302-L304 VanDerWaalsContact C-N 3.25Å; E302-L304 PolarHBondContact O-N 3.12Å
305K57.7Low57.8Low167 Ų167136.7 Ų136.773%0.72671%0.712SS**Hα-helixtrans-75.1-37.5178.4-77-176.7176.8179.40112.9E302 L307 Q308 Q309E302-K305 PolarHBondContact O-N 3.13Å; K305-L307 VanDerWaalsContact C-N 3.35Å; K305-L307 PolarHBondContact O-N 2.89Å; K305-Q308 PolarHBondContact O-N 3.01Å; K305-Q309 PolarHBondContact O-N 3.02Å
306E58Low57.1Low138 Ų138141.9 Ų141.965%0.64573%0.726SS**Hα-helixtrans-67.7-32.7178-83.9179.2136.700112.9Q309 N310E306-Q309 PolarHBondContact O-N 2.96Å; E306-N310 PolarHBondContact O-N 3.48Å
307L57Low56.4Low126 Ų126145.4 Ų145.466%0.6674%0.744SS**Hα-helixtrans-74.6-26.7177.7-96.6137.5000113.6K305K305-L307 VanDerWaalsContact C-N 3.35Å; K305-L307 PolarHBondContact O-N 2.89Å
308Q54.6Low56.3Low143 Ų143148.2 Ų148.267%0.66875%0.745SS**Hα-helixtrans-81.2-24.2173.7-95.2163.94.800113.2K305K305-Q308 PolarHBondContact O-N 3.01Å
309Q56.2Low55.9Low144 Ų144145.4 Ų145.467%0.67374%0.738SS**Hα-helixtrans-77.6-27.3178.3-150.4165.410.700112.6K305 E306K305-Q309 PolarHBondContact O-N 3.02Å; E306-Q309 PolarHBondContact O-N 2.96Å
310N54.9Low55.5Low125 Ų125146.9 Ų146.967%0.66874%0.736SS**THydrogen-bonded Turntrans-81.4-14177.9-81.58.8000115.1E306E306-N310 PolarHBondContact O-N 3.48Å
311V59.7Low55.6Low108 Ų108143.9 Ų143.966%0.65574%0.736SS**THydrogen-bonded Turntrans-80.8-25.1174.8177.90000111.5H313V311-H313 PolarHBondContact O-N 2.89Å
312N56.5Low55.3Low135 Ų135142.8 Ų142.872%0.72273%0.734SS**THydrogen-bonded Turntrans-89.24.3-175.3-64.5-21000114.5
313H55.7Low55Low169 Ų169143.9 Ų143.978%0.78274%0.744SS**THydrogen-bonded Turntrans-113.67.5179.9-136.576.9000114.4V311V311-H313 PolarHBondContact O-N 2.89Å
314N54.6Low55Low152 Ų152142.5 Ų142.581%0.81375%0.746SS**SBendtrans-119.239.2174.8-69-63.6000111.4
315G54.6Low55Low62 Ų62144.4 Ų144.464%0.63976%0.756SS**SBendtrans-127.57.5-175.900000115.8
316D51.4Low54.7Low170 Ų170142.5 Ų142.591%0.90976%0.759SS**  trans-147.789.1175.5-91.6-71.6000110.5
317N43.8Very low54.4Low238 Ų238142.9 Ų142.9100%1.27377%0.769SS**  trans-171.20133.2-1545.6000110

Retrieved 317 of 317 residues in 337.9 ms (Link to these results)

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