A0A096NJ86_PAPAN Loading...

ATP synthase peripheral stalk subunit OSCP, mitochondrial

AlphaFold DB , UniProt , Accession A0A096NJ86, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 213 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
1M42.8Very low43Very low252 Ų252136.9 Ų136.9100%1.24185%0.851SS**  0115.30-91.9153138.700106.9
2A39.6Very low43.1Very low98 Ų98139.8 Ų139.881%0.8185%0.847SS**  cis-156145.39.400000108.3
3A50.7Low43.3Very low102 Ų102137.4 Ų137.484%0.84383%0.833SS**  trans-92.4142.7169.700000110.2
4P45.7Very low43.4Very low123 Ų123142.4 Ų142.480%0.79983%0.829SS**  trans-144165.2141.134.6-17.9000110.8
5A42.3Very low43.3Very low95 Ų95140.3 Ų140.379%0.78582%0.824SS**  cis-163151.9-1700000104S7A5-S7 PolarHBondContact O-N 3.39Å
6V41.4Very low43.5Very low145 Ų145143.6 Ų143.688%0.87983%0.825SS**  trans-56129.6-171.2-174.40000112.8G8V6-G8 PolarHBondContact O-N 3.01Å
7S43.1Very low44.1Very low114 Ų114140.4 Ų140.480%0.79781%0.813SS**  trans-70100.1170.554.70000111A5A5-S7 PolarHBondContact O-N 3.39Å
8G37.7Very low44.4Very low68 Ų68140.5 Ų140.570%0.70182%0.817SS**  trans-95.799.416800000110.7V6 S10V6-G8 PolarHBondContact O-N 3.01Å; G8-S10 VanDerWaalsContact C-N 3.35Å; G8-S10 PolarHBondContact O-N 3Å
9L40.9Very low44.8Very low175 Ų175137.3 Ų137.392%0.91680%0.803SS**  trans-63.392.8166.2-98.6136.5000109.1R11L9-R11 PolarHBondContact O-N 3.09Å
10S42.1Very low44.9Very low103 Ų103136.8 Ų136.872%0.7280%0.801SS**  trans-70.698.8168.651.50000108.7G8 Q12G8-S10 VanDerWaalsContact C-N 3.35Å; G8-S10 PolarHBondContact O-N 3Å; S10-Q12 VanDerWaalsContact C-N 3.29Å; S10-Q12 PolarHBondContact O-N 3.31Å
11R46.9Very low45Very low231 Ų231135.8 Ų135.887%0.87280%0.797SS**  trans-62.191.1171.5-168.4177.8-176-170.21.5108.5L9 V13L9-R11 PolarHBondContact O-N 3.09Å; R11-V13 VanDerWaalsContact C-N 3.33Å; R11-V13 PolarHBondContact O-N 3.04Å
12Q43.5Very low45.3Very low171 Ų171133.9 Ų133.980%0.79978%0.775SS**  trans-69.592.6175.9-161131.125.100108.7S10 R14S10-Q12 VanDerWaalsContact C-N 3.29Å; S10-Q12 PolarHBondContact O-N 3.31Å; Q12-R14 PolarHBondContact O-N 3.38Å
13V46Very low45.7Very low109 Ų109135.1 Ų135.166%0.66178%0.776SS**  trans-64.7103.7171.3-179.60000106.9R11 C15R11-V13 VanDerWaalsContact C-N 3.33Å; R11-V13 PolarHBondContact O-N 3.04Å; V13-C15 PolarHBondContact O-N 3.3Å
14R44.8Very low46.1Very low208 Ų208139.6 Ų139.679%0.78578%0.776SS**  trans-69.295.1172.4-68-177.6-179.9170-0.3108.3Q12 F16Q12-R14 PolarHBondContact O-N 3.38Å; R14-F16 HydrophobicContact CB-CD2 4.44Å; R14-F16 HydrophobicContact CB-CE2 4.22Å; R14-F16 PolarHBondContact O-N 3Å; R14-F16 VanDerWaalsContact O-N 3.14Å
15C41.8Very low47.2Very low111 Ų111137.1 Ų137.175%0.7577%0.766SS**  trans-7398.9168.1-67.20000109V13 S17V13-C15 PolarHBondContact O-N 3.3Å; C15-S17 PolarHBondContact O-N 2.88Å
16F46.7Very low48.8Very low193 Ų193141.9 Ų141.985%0.84677%0.769SS**  trans-72.269.2167.7-77.1-87.2000110.7R14R14-F16 HydrophobicContact CB-CD2 4.44Å; R14-F16 HydrophobicContact CB-CE2 4.22Å; R14-F16 PolarHBondContact O-N 3Å; R14-F16 VanDerWaalsContact O-N 3.14Å
17S53.1Low50.6Low89 Ų89140.4 Ų140.462%0.62276%0.756SS**  trans-131.880.3171.4-169.60000110.4C15 S19C15-S17 PolarHBondContact O-N 2.88Å; S17-S19 PolarHBondContact O-N 3.27Å; S17-S19 PolarHBondContact OG-OG 2.98Å
18T50.2Low52.5Low142 Ų142137.3 Ų137.387%0.87173%0.732SS**  trans-86.332.8167.756.70000111.9V20T18-V20 VanDerWaalsContact C-N 3.3Å; T18-V20 PolarHBondContact O-N 3.3Å; T18-V20 VanDerWaalsContact O-N 3.1Å
19S51.8Low54.8Low80 Ų80144.4 Ų144.456%0.55974%0.738SS**  trans-78.592.4159.764.80000107.1S17 V21S17-S19 PolarHBondContact O-N 3.27Å; S17-S19 PolarHBondContact OG-OG 2.98Å; S19-V21 PolarHBondContact O-N 3Å
20V47.2Very low56.9Low127 Ų127136.7 Ų136.777%0.7770%0.698SS**  trans-52.7100.5158.5174.90000105.8T18 R22T18-V20 VanDerWaalsContact C-N 3.3Å; T18-V20 PolarHBondContact O-N 3.3Å; T18-V20 VanDerWaalsContact O-N 3.1Å; V20-R22 PolarHBondContact O-N 3.23Å
21V46.6Very low58.9Low116 Ų116134.6 Ų134.670%0.70368%0.682SS**  trans-64.794.4170.2179.60000104.4S19S19-V21 PolarHBondContact O-N 3Å
22R50.2Low60.8Low211 Ų211126.2 Ų126.280%0.79666%0.656SS**  trans-51128.3167.7-67.7-176-175.8-160.30.8105.5V20 F24V20-R22 PolarHBondContact O-N 3.23Å; R22-F24 PolarHBondContact O-N 2.92Å
23P46.3Very low62.8Low125 Ų125123.3 Ų123.381%0.81264%0.643SS**  trans-60.6107.7177.324.3-30.9000106.5A25P23-A25 PolarHBondContact O-N 3.05Å
24F60Low64.8Low196 Ų196120 Ų12086%0.8662%0.623SS**  trans-58.3112.2170.2-86.5-86000105.7R22 K26R22-F24 PolarHBondContact O-N 2.92Å; F24-K26 PolarHBondContact O-N 3.32Å
25A69.3Low66.9Low71 Ų71119.1 Ų119.159%0.58762%0.621SS**  trans-52.7130.2176.700000107.9P23 L27P23-A25 PolarHBondContact O-N 3.05Å; A25-L27 PolarHBondContact O-N 3.44Å
26K75.1Confident69.2Low195 Ų195115.9 Ų115.985%0.84861%0.606SS**  trans-44.2114.1-177.8-72.1-178.3179.51780109.4F24 K51F24-K26 PolarHBondContact O-N 3.32Å; K26-K51 WeakPolarHBondContact O-CE 3.5Å; K26-K51 PolarHBondContact O-NZ 2.97Å
27L78.3Confident71.2Confident113 Ų113110.4 Ų110.459%0.59259%0.585SS**PPolyproline II helixtrans-78126-179.1-16577.5000107.5A25 R29 S47A25-L27 PolarHBondContact O-N 3.44Å; L27-R29 PolarHBondContact O-N 3.41Å; L27-S47 WeakPolarHBondContact CD1-OG 3.48Å
28V84.9Confident72.9Confident50 Ų50108.6 Ų108.630%0.30357%0.567SS.*PPolyproline II helixtrans-71.2121.4173.1-179.20000106.8S47 K51V28-S47 PolarHBondContact N-OG 3.27Å; V28-K51 HydrophobicContact CG2-CG 4.05Å
29R84.4Confident74.8Confident217 Ų217101.9 Ų101.982%0.81953%0.525SS*.PPolyproline II helixtrans-73126.9-179-67.1-175.4179.9-178.8-0.1109.1L27L27-R29 PolarHBondContact O-N 3.41Å
30P86.1Confident76.7Confident13 Ų13107.4 Ų107.48%0.08453%0.534CS..PPolyproline II helixtrans-68.4157.1173.330.6-35.2000110.8V32 T43 Y46 M131P30-V32 VanDerWaalsContact C-N 3.27Å; P30-V32 PolarHBondContact O-N 3.46Å; P30-T43 HydrophobicContact CG-CG2 3.69Å; P30-Y46 HydrophobicContact CB-CD1 3.73Å; P30-Y46 HydrophobicContact CB-CE1 4.04Å; P30-Y46 HydrophobicContact CB-CG 4.21Å; P30-M131 HydrophobicContact CB-CG 4.48Å; P30-M131 HydrophobicContact CB-SD 3.67Å; P30-M131 HydrophobicContact CG-SD 4.17Å
31P84Confident78.8Confident59 Ų59102.7 Ų102.738%0.38350%0.503SS..SBendtrans-65.4-29.7-179.126.8-35.1000112.8M131 V134 H135P31-M131 WeakPolarHBondContact CG-O 3.19Å; P31-V134 HydrophobicContact CB-CB 4.48Å; P31-V134 HydrophobicContact CB-CG1 4.01Å; P31-V134 HydrophobicContact CG-CB 4.32Å; P31-V134 HydrophobicContact CG-CG1 4.38Å; P31-H135 HydrophobicContact CG-CB 4.14Å
32V86.5Confident81Confident55 Ų5597.2 Ų97.233%0.33347%0.469SS..SBendtrans-126.3135.3171.5177.30000109.5P30 V34 V134P30-V32 VanDerWaalsContact C-N 3.27Å; P30-V32 PolarHBondContact O-N 3.46Å; V32-V34 PolarHBondContact O-N 3.03Å; V32-V134 HydrophobicContact CG2-CB 3.9Å; V32-V134 HydrophobicContact CG2-CG1 3.72Å; V32-V134 HydrophobicContact CG2-CG2 3.69Å
33Q86.5Confident83Confident109 Ų10988.4 Ų88.451%0.50944%0.439SS..  trans-82.7108.5170-66.498.24400109.8Y35Q33-Y35 HydrophobicContact CB-CE1 4.36Å; Q33-Y35 HydrophobicContact CB-CE2 4.38Å
34V87.1Confident85.1Confident41 Ų4185 Ų8525%0.24842%0.421CS..  trans-87.9125.4165.5-172.90000108V32 G39 A127 M131V32-V34 PolarHBondContact O-N 3.03Å; V34-G39 VanDerWaalsContact O-CA 3.31Å; V34-G39 WeakPolarHBondContact O-CA 3.3Å; V34-A127 HydrophobicContact CB-CB 4.37Å; V34-A127 HydrophobicContact CG1-CB 3.87Å; V34-A127 HydrophobicContact CG2-CB 4.41Å; V34-M131 HydrophobicContact CG2-CG 4.03Å; V34-M131 HydrophobicContact CG2-SD 4.44Å
35Y88.3Confident86.6Confident189 Ų18976 Ų7674%0.74138%0.382SS*.  trans-89.5170.6179.2-58.9-77.2000111.4Q33Q33-Y35 HydrophobicContact CB-CE1 4.36Å; Q33-Y35 HydrophobicContact CB-CE2 4.38Å
36G89.7Confident87.7Confident43 Ų4373.1 Ų73.144%0.44336%0.356SS..Hα-helixtrans95.5-176.9-179.400000114.1R40G36-R40 WeakPolarHBondContact O-CG 3.33Å; G36-R40 PolarHBondContact O-N 3.22Å; G36-R40 VanDerWaalsContact O-N 3.17Å
37I88.8Confident88.4Confident78 Ų7863.9 Ų63.940%0.432%0.316SS..Hα-helixtrans-68.1-44-177.6-63.1169.1000109.2R40 Y41I37-R40 PolarHBondContact O-N 3.39Å; I37-Y41 HydrophobicContact CG2-CD2 4.13Å; I37-Y41 HydrophobicContact CG2-CE2 3.81Å; I37-Y41 WeakPolarHBondContact O-CD2 3.43Å; I37-Y41 PolarHBondContact O-N 2.96Å
38E90.6Very high89.1Confident51 Ų5160.1 Ų60.124%0.23830%0.302CS..Hα-helixtrans-60.7-47.5177.9-5976.4-169.400110.9R40 Y41 A42 N120 V124E38-R40 VanDerWaalsContact C-N 3.32Å; E38-R40 PolarHBondContact O-N 3.46Å; E38-Y41 PolarHBondContact O-N 3.18Å; E38-A42 WeakPolarHBondContact O-CB 3.37Å; E38-A42 PolarHBondContact O-N 3.35Å; E38-N120 HydrophobicContact CG-CB 4.15Å; E38-N120 PolarHBondContact OE1-ND2 3.14Å; E38-V124 HydrophobicContact CB-CG2 4.04Å; E38-V124 HydrophobicContact CG-CG2 4.33Å
39G90.1Very high89.4Confident0 Ų057.8 Ų57.80%029%0.287CS..Hα-helixtrans-59.6-40.5178.300000112.4V34 Y41 A42 T43V34-G39 VanDerWaalsContact O-CA 3.31Å; V34-G39 WeakPolarHBondContact O-CA 3.3Å; G39-Y41 PolarHBondContact O-N 2.67Å; G39-A42 PolarHBondContact O-N 3.41Å; G39-T43 WeakPolarHBondContact O-CB 3.41Å; G39-T43 WeakPolarHBondContact O-CG2 3.48Å; G39-T43 PolarHBondContact O-N 3.4Å; G39-T43 PolarHBondContact O-OG1 2.95Å
40R91.1Very high89.6Confident196 Ų19648.7 Ų48.774%0.7426%0.257SS*.Hα-helixtrans-62.8-41.7176.1-71.2178.273-178.44.5112.9G36 I37 E38 T43 A44G36-R40 WeakPolarHBondContact O-CG 3.33Å; G36-R40 PolarHBondContact O-N 3.22Å; G36-R40 VanDerWaalsContact O-N 3.17Å; I37-R40 PolarHBondContact O-N 3.39Å; E38-R40 VanDerWaalsContact C-N 3.32Å; E38-R40 PolarHBondContact O-N 3.46Å; R40-T43 WeakPolarHBondContact CA-OG1 3.09Å; R40-T43 PolarHBondContact O-OG1 3.46Å; R40-A44 WeakPolarHBondContact O-CB 3.22Å; R40-A44 PolarHBondContact O-N 3.16Å
41Y92.1Very high89.8Confident29 Ų2953.1 Ų53.111%0.11428%0.275CS..Hα-helixtrans-68.5-43.3175.2-75.8-70.1000111.8I37 E38 G39 A44 L45 L112 N115 R117I37-Y41 HydrophobicContact CG2-CD2 4.13Å; I37-Y41 HydrophobicContact CG2-CE2 3.81Å; I37-Y41 WeakPolarHBondContact O-CD2 3.43Å; I37-Y41 PolarHBondContact O-N 2.96Å; E38-Y41 PolarHBondContact O-N 3.18Å; G39-Y41 PolarHBondContact O-N 2.67Å; Y41-A44 PolarHBondContact O-N 2.7Å; Y41-L45 WeakPolarHBondContact O-CB 3.44Å; Y41-L45 PolarHBondContact O-N 3.05Å; Y41-L112 HydrophobicContact CD1-CD2 4.21Å; Y41-L112 HydrophobicContact CD2-CD2 3.95Å; Y41-L112 HydrophobicContact CE1-CD2 4.25Å; Y41-L112 HydrophobicContact CE2-CD2 4.01Å; Y41-L112 HydrophobicContact CG-CD2 4.06Å; Y41-N115 WeakPolarHBondContact OH-CB 3.36Å; Y41-N115 PolarHBondContact OH-ND2 3Å; Y41-N115 VanDerWaalsContact OH-ND2 3.14Å; Y41-R117 WeakPolarHBondContact OH-CD 3.42Å; Y41-R117 PolarHBondContact OH-NH1 2.82Å
42A91.9Very high90Very high0 Ų054.7 Ų54.70%028%0.277CS..Hα-helixtrans-65.1-42.1-179.300000111.4E38 G39 L45 Y46 V124 A127 F128 M131E38-A42 WeakPolarHBondContact O-CB 3.37Å; E38-A42 PolarHBondContact O-N 3.35Å; G39-A42 PolarHBondContact O-N 3.41Å; A42-L45 PolarHBondContact O-N 3.24Å; A42-Y46 WeakPolarHBondContact O-CB 3.49Å; A42-Y46 PolarHBondContact O-N 2.83Å; A42-V124 HydrophobicContact CB-CG1 4.25Å; A42-A127 HydrophobicContact CB-CB 3.91Å; A42-F128 HydrophobicContact CB-CB 4.38Å; A42-M131 HydrophobicContact CB-CE 3.32Å
43T91.7Very high90.1Very high26 Ų2659 Ų5916%0.1630%0.298CS..Hα-helixtrans-65.3-40.1176.851.60000112.3P30 G39 R40 Y46 S47 M131P30-T43 HydrophobicContact CG-CG2 3.69Å; G39-T43 WeakPolarHBondContact O-CB 3.41Å; G39-T43 WeakPolarHBondContact O-CG2 3.48Å; G39-T43 PolarHBondContact O-N 3.4Å; G39-T43 PolarHBondContact O-OG1 2.95Å; R40-T43 WeakPolarHBondContact CA-OG1 3.09Å; R40-T43 PolarHBondContact O-OG1 3.46Å; T43-Y46 PolarHBondContact O-N 3.49Å; T43-S47 PolarHBondContact O-N 3.34Å; T43-M131 HydrophobicContact CG2-SD 4.09Å
44A91.1Very high90.3Very high53 Ų5358 Ų5844%0.43829%0.292SS..Hα-helixtrans-63-44.6173.800000111.7R40 Y41 S47 A48R40-A44 WeakPolarHBondContact O-CB 3.22Å; R40-A44 PolarHBondContact O-N 3.16Å; Y41-A44 PolarHBondContact O-N 2.7Å; A44-S47 PolarHBondContact O-N 3.5Å; A44-A48 PolarHBondContact O-N 2.79Å
45L91.3Very high90.3Very high9 Ų957 Ų575%0.04729%0.285CS..Hα-helixtrans-63-45.2176.4-175.669.7000111.7Y41 A42 S47 A48 A49 V58 L62 L104 L108 F128Y41-L45 WeakPolarHBondContact O-CB 3.44Å; Y41-L45 PolarHBondContact O-N 3.05Å; A42-L45 PolarHBondContact O-N 3.24Å; L45-S47 VanDerWaalsContact C-N 3.33Å; L45-S47 PolarHBondContact O-N 2.87Å; L45-A48 PolarHBondContact O-N 2.85Å; L45-A48 VanDerWaalsContact O-N 3.13Å; L45-A49 VanDerWaalsContact O-CB 3.31Å; L45-A49 WeakPolarHBondContact O-CB 3.2Å; L45-A49 PolarHBondContact O-N 2.96Å; L45-V58 HydrophobicContact CD1-CG1 4.29Å; L45-V58 HydrophobicContact CD2-CG1 3.88Å; L45-V58 HydrophobicContact CG-CG1 4.16Å; L45-L62 HydrophobicContact CD2-CD1 3.66Å; L45-L62 HydrophobicContact CD2-CD2 4.33Å; L45-L62 HydrophobicContact CD2-CG 4.41Å; L45-L104 HydrophobicContact CD1-CB 4.42Å; L45-L108 HydrophobicContact CB-CD1 4.39Å; L45-L108 HydrophobicContact CD1-CB 4.27Å; L45-L108 HydrophobicContact CD1-CD1 4.43Å; L45-L108 HydrophobicContact CD1-CD2 4.33Å; L45-L108 HydrophobicContact CD2-CD2 3.63Å; L45-F128 HydrophobicContact CB-CD2 4.49Å; L45-F128 HydrophobicContact CB-CE2 4.42Å; L45-F128 HydrophobicContact CD2-CD2 3.82Å; L45-F128 HydrophobicContact CD2-CE2 3.88Å; L45-F128 HydrophobicContact CD2-CG 4.41Å; L45-F128 HydrophobicContact CG-CD2 4.34Å; L45-F128 HydrophobicContact CG-CE2 4.03Å
46Y91.9Very high90.3Very high9 Ų951.6 Ų51.64%0.03527%0.267CS..Hα-helixtrans-58.4-45.8176.5-178-89.9000111P30 A42 T43 A48 A49 S50 L55 F128 M132 H135P30-Y46 HydrophobicContact CB-CD1 3.73Å; P30-Y46 HydrophobicContact CB-CE1 4.04Å; P30-Y46 HydrophobicContact CB-CG 4.21Å; A42-Y46 WeakPolarHBondContact O-CB 3.49Å; A42-Y46 PolarHBondContact O-N 2.83Å; T43-Y46 PolarHBondContact O-N 3.49Å; Y46-A48 VanDerWaalsContact C-N 3.3Å; Y46-A48 PolarHBondContact O-N 2.63Å; Y46-A49 PolarHBondContact O-N 3.49Å; Y46-S50 WeakPolarHBondContact O-CB 3.42Å; Y46-S50 PolarHBondContact O-N 2.95Å; Y46-L55 HydrophobicContact CD2-CD2 3.77Å; Y46-L55 HydrophobicContact CE2-CD1 4.38Å; Y46-L55 HydrophobicContact CE2-CD2 3.75Å; Y46-L55 HydrophobicContact CG-CD2 4.45Å; Y46-F128 HydrophobicContact CD2-CE2 4.3Å; Y46-M132 HydrophobicContact CD2-SD 4.48Å; Y46-M132 HydrophobicContact CE2-SD 4.24Å; Y46-H135 PolarHBondContact OH-CD2 3.11Å
47S91.2Very high90.4Very high2 Ų253.8 Ų53.81%0.01427%0.266CS..Hα-helixtrans-63.5-35.6176.5179.20000112.8L27 V28 T43 A44 L45 K51L27-S47 WeakPolarHBondContact CD1-OG 3.48Å; V28-S47 PolarHBondContact N-OG 3.27Å; T43-S47 PolarHBondContact O-N 3.34Å; A44-S47 PolarHBondContact O-N 3.5Å; L45-S47 VanDerWaalsContact C-N 3.33Å; L45-S47 PolarHBondContact O-N 2.87Å; S47-K51 VanDerWaalsContact O-CG 3.26Å; S47-K51 WeakPolarHBondContact O-CG 3.46Å; S47-K51 PolarHBondContact O-N 2.83Å
48A91.1Very high90.5Very high34 Ų3450.1 Ų50.128%0.28125%0.247SC..Hα-helixtrans-72.4-43.117800000111.8A44 L45 Y46 K51 Q52 L104A44-A48 PolarHBondContact O-N 2.79Å; L45-A48 PolarHBondContact O-N 2.85Å; L45-A48 VanDerWaalsContact O-N 3.13Å; Y46-A48 VanDerWaalsContact C-N 3.3Å; Y46-A48 PolarHBondContact O-N 2.63Å; A48-K51 PolarHBondContact O-N 2.94Å; A48-Q52 PolarHBondContact O-N 2.86Å; A48-L104 HydrophobicContact CB-CD2 3.95Å
49A91Very high90.4Very high0 Ų048.3 Ų48.30%024%0.238CC..Hα-helixtrans-69.7-36.8179.600000112.6L45 Y46 Q52 N53 K54 L55 V58 L104L45-A49 VanDerWaalsContact O-CB 3.31Å; L45-A49 WeakPolarHBondContact O-CB 3.2Å; L45-A49 PolarHBondContact O-N 2.96Å; Y46-A49 PolarHBondContact O-N 3.49Å; A49-Q52 CarbonylContact O-C 3.53Å; A49-Q52 PolarHBondContact O-N 2.79Å; A49-N53 PolarHBondContact O-N 3.42Å; A49-K54 PolarHBondContact O-N 2.84Å; A49-L55 HydrophobicContact CB-CD2 3.7Å; A49-L55 HydrophobicContact CB-CG 4.4Å; A49-V58 HydrophobicContact CB-CG2 4.17Å; A49-L104 HydrophobicContact CB-CD1 4Å
50S90.1Very high90.5Very high26 Ų2654.2 Ų54.218%0.18226%0.264CS..Hα-helixtrans-64.5-42.9174.3176.70000111.4Y46 Q52 N53Y46-S50 WeakPolarHBondContact O-CB 3.42Å; Y46-S50 PolarHBondContact O-N 2.95Å; S50-Q52 PolarHBondContact O-N 2.84Å; S50-N53 PolarHBondContact O-N 2.78Å; S50-N53 VanDerWaalsContact O-N 3.09Å; S50-N53 PolarHBondContact O-OD1 2.88Å
51K89.6Confident90.5Very high106 Ų10645.8 Ų45.846%0.46123%0.233SC..Hα-helixtrans-60.3-29.3175.1-75.4173.6-178.4179.30113.6K26 V28 S47 A48K26-K51 WeakPolarHBondContact O-CE 3.5Å; K26-K51 PolarHBondContact O-NZ 2.97Å; V28-K51 HydrophobicContact CG2-CG 4.05Å; S47-K51 VanDerWaalsContact O-CG 3.26Å; S47-K51 WeakPolarHBondContact O-CG 3.46Å; S47-K51 PolarHBondContact O-N 2.83Å; A48-K51 PolarHBondContact O-N 2.94Å
52Q89.1Confident90.4Very high93 Ų9344.5 Ų44.544%0.43523%0.228SC..THydrogen-bonded Turntrans-98.70.7179.5-62.9-175.822.300113.2A48 A49 S50 K54A48-Q52 PolarHBondContact O-N 2.86Å; A49-Q52 CarbonylContact O-C 3.53Å; A49-Q52 PolarHBondContact O-N 2.79Å; S50-Q52 PolarHBondContact O-N 2.84Å; Q52-K54 PolarHBondContact O-N 2.96Å
53N88Confident90.4Very high145 Ų14548.3 Ų48.378%0.77525%0.248SC*.THydrogen-bonded Turntrans5333.6-174.9-62.2-53.4000114.6A49 S50A49-N53 PolarHBondContact O-N 3.42Å; S50-N53 PolarHBondContact O-N 2.78Å; S50-N53 VanDerWaalsContact O-N 3.09Å; S50-N53 PolarHBondContact O-OD1 2.88Å
54K90.4Very high90.3Very high87 Ų8753.8 Ų53.838%0.37827%0.266SS..  trans-113.126.9-177.7-71.3179.4-176.5178.30113.7A49 Q52 E56 Q57 V58A49-K54 PolarHBondContact O-N 2.84Å; Q52-K54 PolarHBondContact O-N 2.96Å; K54-E56 PolarHBondContact O-N 2.83Å; K54-Q57 PolarHBondContact O-N 3.26Å; K54-V58 WeakPolarHBondContact O-CG2 3.24Å; K54-V58 PolarHBondContact O-N 3.47Å
55L87.8Confident90.1Very high20 Ų2051.7 Ų51.711%0.10525%0.247CC..Hα-helixtrans-57-50.7-173.6-70.3166.8000113.1Y46 A49 Q57 V58 E59 M132Y46-L55 HydrophobicContact CD2-CD2 3.77Å; Y46-L55 HydrophobicContact CE2-CD1 4.38Å; Y46-L55 HydrophobicContact CE2-CD2 3.75Å; Y46-L55 HydrophobicContact CG-CD2 4.45Å; A49-L55 HydrophobicContact CB-CD2 3.7Å; A49-L55 HydrophobicContact CB-CG 4.4Å; L55-Q57 VanDerWaalsContact C-N 3.33Å; L55-Q57 PolarHBondContact O-N 2.87Å; L55-V58 PolarHBondContact O-N 2.7Å; L55-E59 PolarHBondContact O-N 3.33Å; L55-M132 HydrophobicContact CB-CE 3.82Å; L55-M132 HydrophobicContact CB-SD 3.96Å; L55-M132 HydrophobicContact CD2-SD 4.19Å
56E88.5Confident90Very high77 Ų7751.9 Ų51.936%0.3625%0.251SS..Hα-helixtrans-65.8-35.9-178-170.761.7-15300112.7K54 K60 R136K54-E56 PolarHBondContact O-N 2.83Å; E56-K60 WeakPolarHBondContact O-CG 3.39Å; E56-K60 PolarHBondContact O-N 2.84Å; E56-K60 WeakPolarHBondContact OE1-CE 3.31Å; E56-R136 IonicContact OE1-CZ 3.71Å; E56-R136 IonicContact OE1-NH2 2.82Å; E56-R136 PolarHBondContact OE1-NH2 2.87Å; E56-R136 IonicContact OE2-CZ 3.54Å; E56-R136 IonicContact OE2-NE 2.92Å; E56-R136 IonicContact OE2-NH2 2.7Å; E56-R136 PolarHBondContact OE2-NH2 2.8Å
57Q90.3Very high89.8Confident89 Ų8958 Ų5842%0.41628%0.279SS..Hα-helixtrans-65.2-49.3175.7179.5-179.3-1.600110.3K54 L55 E59 K60 E61K54-Q57 PolarHBondContact O-N 3.26Å; L55-Q57 VanDerWaalsContact C-N 3.33Å; L55-Q57 PolarHBondContact O-N 2.87Å; Q57-E59 VanDerWaalsContact C-N 3.29Å; Q57-E59 PolarHBondContact O-N 3.5Å; Q57-K60 PolarHBondContact O-N 3.03Å; Q57-E61 WeakPolarHBondContact CG-OE1 3.48Å; Q57-E61 PolarHBondContact NE2-OE1 2.94Å; Q57-E61 WeakPolarHBondContact O-CG 3.46Å; Q57-E61 PolarHBondContact O-N 3Å
58V91.2Very high89.6Confident0 Ų059.1 Ų59.10%029%0.285CS..Hα-helixtrans-62.1-38.2180173.20000111L45 A49 K54 L55 K60 E61 L62 L104 F128L45-V58 HydrophobicContact CD1-CG1 4.29Å; L45-V58 HydrophobicContact CD2-CG1 3.88Å; L45-V58 HydrophobicContact CG-CG1 4.16Å; A49-V58 HydrophobicContact CB-CG2 4.17Å; K54-V58 WeakPolarHBondContact O-CG2 3.24Å; K54-V58 PolarHBondContact O-N 3.47Å; L55-V58 PolarHBondContact O-N 2.7Å; V58-K60 PolarHBondContact O-N 2.9Å; V58-E61 PolarHBondContact O-N 3Å; V58-L62 HydrophobicContact CG1-CD1 4.09Å; V58-L62 HydrophobicContact CG1-CG 4.22Å; V58-L62 WeakPolarHBondContact O-CB 3.18Å; V58-L62 VanDerWaalsContact O-CG 3.26Å; V58-L62 WeakPolarHBondContact O-CG 3.35Å; V58-L62 PolarHBondContact O-N 3.34Å; V58-L104 HydrophobicContact CG2-CB 4.16Å; V58-L104 HydrophobicContact CG2-CD1 3.94Å; V58-F128 HydrophobicContact CB-CZ 4.48Å; V58-F128 HydrophobicContact CG1-CE1 4.28Å; V58-F128 HydrophobicContact CG1-CZ 4.01Å
59E90.1Very high89.2Confident14 Ų1458.3 Ų58.37%0.06528%0.276CS..Hα-helixtrans-58.9-48.9175.7-171.8175.3-171.500112.2L55 Q57 E61 L62 L63 F128 M132 R136L55-E59 PolarHBondContact O-N 3.33Å; Q57-E59 VanDerWaalsContact C-N 3.29Å; Q57-E59 PolarHBondContact O-N 3.5Å; E59-E61 VanDerWaalsContact C-N 3.34Å; E59-E61 PolarHBondContact O-N 3.14Å; E59-L62 PolarHBondContact O-N 3.17Å; E59-L63 WeakPolarHBondContact O-CG 3.46Å; E59-L63 PolarHBondContact O-N 2.72Å; E59-F128 HydrophobicContact CB-CE1 3.98Å; E59-F128 HydrophobicContact CG-CE1 4.49Å; E59-M132 HydrophobicContact CB-CE 4.45Å; E59-M132 HydrophobicContact CB-CG 4.38Å; E59-M132 HydrophobicContact CG-CG 4.27Å; E59-M132 WeakPolarHBondContact OE2-CB 3.31Å; E59-M132 WeakPolarHBondContact OE2-CE 3.34Å; E59-R136 IonicContact OE1-NH2 3.69Å; E59-R136 IonicContact OE2-CZ 3.99Å; E59-R136 IonicContact OE2-NH2 3.65Å; E59-R136 PolarHBondContact OE2-NH2 2.94Å
60K91.2Very high89Confident123 Ų12365.2 Ų65.254%0.53531%0.306SS..Hα-helixtrans-63-41178.9-69.3174.1-175.8176.60112E56 Q57 V58 L63 R64E56-K60 WeakPolarHBondContact O-CG 3.39Å; E56-K60 PolarHBondContact O-N 2.84Å; E56-K60 WeakPolarHBondContact OE1-CE 3.31Å; Q57-K60 PolarHBondContact O-N 3.03Å; V58-K60 PolarHBondContact O-N 2.9Å; K60-L63 PolarHBondContact O-N 2.89Å; K60-R64 PolarHBondContact O-N 3.07Å; K60-R64 VanDerWaalsContact O-N 3.16Å
61E91.4Very high88.9Confident19 Ų1969 Ų699%0.08932%0.321CS..Hα-helixtrans-63.8-43176.3-69175.3-17600111.4Q57 V58 E59 L63 R64 V65 F101 S102 T105Q57-E61 WeakPolarHBondContact CG-OE1 3.48Å; Q57-E61 PolarHBondContact NE2-OE1 2.94Å; Q57-E61 WeakPolarHBondContact O-CG 3.46Å; Q57-E61 PolarHBondContact O-N 3Å; V58-E61 PolarHBondContact O-N 3Å; E59-E61 VanDerWaalsContact C-N 3.34Å; E59-E61 PolarHBondContact O-N 3.14Å; E61-L63 VanDerWaalsContact C-N 3.35Å; E61-L63 PolarHBondContact O-N 3.37Å; E61-R64 WeakPolarHBondContact O-CB 3.43Å; E61-R64 PolarHBondContact O-N 2.77Å; E61-V65 WeakPolarHBondContact O-CG2 3.18Å; E61-V65 PolarHBondContact O-N 3.29Å; E61-F101 HydrophobicContact CB-CD1 4.01Å; E61-F101 HydrophobicContact CB-CE1 4.47Å; E61-F101 HydrophobicContact CG-CD1 3.94Å; E61-S102 VanDerWaalsContact CD-N 3.34Å; E61-S102 WeakPolarHBondContact OE1-CB 3.39Å; E61-S102 PolarHBondContact OE1-N 3.03Å; E61-S102 VanDerWaalsContact OE1-N 3.14Å; E61-S102 WeakPolarHBondContact OE2-CB 3.27Å; E61-S102 PolarHBondContact OE2-N 2.9Å; E61-S102 PolarHBondContact OE2-OG 3.34Å; E61-T105 HydrophobicContact CB-CG2 4.2Å; E61-T105 WeakPolarHBondContact OE2-CB 3.37Å; E61-T105 PolarHBondContact OE2-OG1 3.39Å
62L90.4Very high88.6Confident2 Ų269.1 Ų69.11%0.0133%0.332CS..Hα-helixtrans-63.4-37.7176.6-76178.4000113.1L45 V58 E59 R64 V65 A66 T105 L108 V125 F128L45-L62 HydrophobicContact CD2-CD1 3.66Å; L45-L62 HydrophobicContact CD2-CD2 4.33Å; L45-L62 HydrophobicContact CD2-CG 4.41Å; V58-L62 HydrophobicContact CG1-CD1 4.09Å; V58-L62 HydrophobicContact CG1-CG 4.22Å; V58-L62 WeakPolarHBondContact O-CB 3.18Å; V58-L62 VanDerWaalsContact O-CG 3.26Å; V58-L62 WeakPolarHBondContact O-CG 3.35Å; V58-L62 PolarHBondContact O-N 3.34Å; E59-L62 PolarHBondContact O-N 3.17Å; L62-R64 VanDerWaalsContact C-N 3.34Å; L62-V65 PolarHBondContact O-N 3.4Å; L62-A66 WeakPolarHBondContact O-CB 3.27Å; L62-A66 PolarHBondContact O-N 3.41Å; L62-T105 HydrophobicContact CD2-CG2 4.36Å; L62-L108 HydrophobicContact CD2-CD2 3.69Å; L62-V125 HydrophobicContact CB-CG1 4.16Å; L62-V125 HydrophobicContact CB-CG2 4.14Å; L62-V125 HydrophobicContact CD2-CG2 4.17Å; L62-F128 HydrophobicContact CD1-CB 3.91Å; L62-F128 HydrophobicContact CD1-CD1 3.42Å; L62-F128 VanDerWaalsContact CD1-CD1 3.42Å; L62-F128 HydrophobicContact CD1-CD2 4.26Å; L62-F128 HydrophobicContact CD1-CE1 3.94Å; L62-F128 HydrophobicContact CD1-CG 3.59Å
63L90.4Very high88.3Confident81 Ų8173 Ų7342%0.42435%0.348SS..Hα-helixtrans-63.8-40.4174.5-69.2175000111.4E59 K60 E61 A66 Q67 V125E59-L63 WeakPolarHBondContact O-CG 3.46Å; E59-L63 PolarHBondContact O-N 2.72Å; K60-L63 PolarHBondContact O-N 2.89Å; E61-L63 VanDerWaalsContact C-N 3.35Å; E61-L63 PolarHBondContact O-N 3.37Å; L63-A66 PolarHBondContact O-N 3.3Å; L63-Q67 WeakPolarHBondContact O-CG 3.44Å; L63-Q67 PolarHBondContact O-N 3.49Å; L63-Q67 VanDerWaalsContact O-N 3.09Å; L63-V125 HydrophobicContact CD2-CG1 4.39Å
64R89.8Confident88Confident140 Ų14067.2 Ų67.253%0.52832%0.317SS..Hα-helixtrans-63.9-44.9172.7-71.3-173.6-175-174.42.6111.8K60 E61 L62 A66 Q67 I68 E99 F101K60-R64 PolarHBondContact O-N 3.07Å; K60-R64 VanDerWaalsContact O-N 3.16Å; E61-R64 WeakPolarHBondContact O-CB 3.43Å; E61-R64 PolarHBondContact O-N 2.77Å; L62-R64 VanDerWaalsContact C-N 3.34Å; R64-A66 VanDerWaalsContact C-N 3.26Å; R64-A66 PolarHBondContact O-N 3.47Å; R64-Q67 WeakPolarHBondContact O-CA 3.11Å; R64-Q67 WeakPolarHBondContact O-CB 3.42Å; R64-Q67 PolarHBondContact O-N 3.28Å; R64-I68 WeakPolarHBondContact O-CG1 3.43Å; R64-I68 PolarHBondContact O-N 3.32Å; R64-E99 IonicContact NH1-OE2 3.95Å; R64-F101 HydrophobicContact CB-CE1 4.26Å; R64-F101 HydrophobicContact CB-CZ 4.45Å
65V88.1Confident87.6Confident9 Ų964.3 Ų64.36%0.05531%0.31CS..Hα-helixtrans-57.9-42.2175.41720000110.8E61 L62 Q67 I68 L69 F101 T105 I109E61-V65 WeakPolarHBondContact O-CG2 3.18Å; E61-V65 PolarHBondContact O-N 3.29Å; L62-V65 PolarHBondContact O-N 3.4Å; V65-Q67 VanDerWaalsContact C-N 3.28Å; V65-Q67 PolarHBondContact O-N 2.77Å; V65-I68 PolarHBondContact O-N 3.47Å; V65-L69 HydrophobicContact CG1-CD1 3.76Å; V65-L69 HydrophobicContact CG1-CG 4.11Å; V65-L69 WeakPolarHBondContact O-CB 3.16Å; V65-L69 VanDerWaalsContact O-CG 3.25Å; V65-L69 WeakPolarHBondContact O-CG 3.31Å; V65-L69 PolarHBondContact O-N 3.42Å; V65-F101 HydrophobicContact CG2-CD2 4.17Å; V65-F101 HydrophobicContact CG2-CE1 4.4Å; V65-F101 HydrophobicContact CG2-CE2 3.63Å; V65-F101 HydrophobicContact CG2-CZ 3.76Å; V65-T105 HydrophobicContact CG2-CG2 4.04Å; V65-I109 HydrophobicContact CG1-CD1 3.73Å; V65-I109 HydrophobicContact CG1-CG1 4.36Å
66A87.9Confident87.4Confident14 Ų1466.2 Ų66.212%0.11633%0.329CS..Hα-helixtrans-63-33.1175.900000113L62 L63 R64 K70 V125L62-A66 WeakPolarHBondContact O-CB 3.27Å; L62-A66 PolarHBondContact O-N 3.41Å; L63-A66 PolarHBondContact O-N 3.3Å; R64-A66 VanDerWaalsContact C-N 3.26Å; R64-A66 PolarHBondContact O-N 3.47Å; A66-K70 VanDerWaalsContact O-CG 3.31Å; A66-K70 WeakPolarHBondContact O-CG 3.31Å; A66-K70 PolarHBondContact O-N 3.06Å; A66-V125 HydrophobicContact CB-CB 4.37Å; A66-V125 HydrophobicContact CB-CG1 3.97Å; A66-V125 HydrophobicContact CB-CG2 4.26Å
67Q88.3Confident87.1Confident137 Ų13765.8 Ų65.864%0.6433%0.334SS*.Hα-helixtrans-68.6-47.1173.5-69.9173.1-16.500111.4L63 R64 V65 L69 K70L63-Q67 WeakPolarHBondContact O-CG 3.44Å; L63-Q67 PolarHBondContact O-N 3.49Å; L63-Q67 VanDerWaalsContact O-N 3.09Å; R64-Q67 WeakPolarHBondContact O-CA 3.11Å; R64-Q67 WeakPolarHBondContact O-CB 3.42Å; R64-Q67 PolarHBondContact O-N 3.28Å; V65-Q67 VanDerWaalsContact C-N 3.28Å; V65-Q67 PolarHBondContact O-N 2.77Å; Q67-L69 VanDerWaalsContact C-N 3.32Å; Q67-L69 PolarHBondContact O-N 3.08Å; Q67-K70 WeakPolarHBondContact O-CB 3.5Å; Q67-K70 PolarHBondContact O-N 3.4Å
68I86.9Confident86.6Confident26 Ų2662.5 Ų62.513%0.13332%0.32CS..Hα-helixtrans-61.6-41.5178.6-63.3165.1000110.9R64 V65 K70 E71 V74 I95 E99 F101R64-I68 WeakPolarHBondContact O-CG1 3.43Å; R64-I68 PolarHBondContact O-N 3.32Å; V65-I68 PolarHBondContact O-N 3.47Å; I68-K70 PolarHBondContact O-N 3.43Å; I68-E71 WeakPolarHBondContact O-CB 3.34Å; I68-E71 PolarHBondContact O-N 3.02Å; I68-E71 VanDerWaalsContact O-N 3.09Å; I68-V74 HydrophobicContact CG2-CG2 4.4Å; I68-I95 HydrophobicContact CD1-CG2 4.43Å; I68-I95 HydrophobicContact CG2-CG2 4.15Å; I68-E99 HydrophobicContact CD1-CG 3.95Å; I68-F101 HydrophobicContact CD1-CE2 4.46Å; I68-F101 HydrophobicContact CD1-CZ 3.97Å
69L83.8Confident86.1Confident16 Ų1668.3 Ų68.38%0.08435%0.35CS..THydrogen-bonded Turntrans-68.1-17.1178-70.9176000113.6V65 Q67 V74 V78 A121V65-L69 HydrophobicContact CG1-CD1 3.76Å; V65-L69 HydrophobicContact CG1-CG 4.11Å; V65-L69 WeakPolarHBondContact O-CB 3.16Å; V65-L69 VanDerWaalsContact O-CG 3.25Å; V65-L69 WeakPolarHBondContact O-CG 3.31Å; V65-L69 PolarHBondContact O-N 3.42Å; Q67-L69 VanDerWaalsContact C-N 3.32Å; Q67-L69 PolarHBondContact O-N 3.08Å; L69-V74 HydrophobicContact CD2-CG1 4.06Å; L69-V78 HydrophobicContact CD2-CG2 4.24Å; L69-A121 HydrophobicContact CD1-CB 3.61Å
70K85.5Confident85.9Confident145 Ų14570.7 Ų70.763%0.6336%0.363SS*.THydrogen-bonded Turntrans-82.2-14.7173.1-76.2174.2-179.3-174.50112.7A66 Q67 I68A66-K70 VanDerWaalsContact O-CG 3.31Å; A66-K70 WeakPolarHBondContact O-CG 3.31Å; A66-K70 PolarHBondContact O-N 3.06Å; Q67-K70 WeakPolarHBondContact O-CB 3.5Å; Q67-K70 PolarHBondContact O-N 3.4Å; I68-K70 PolarHBondContact O-N 3.43Å
71E87.6Confident85.4Confident106 Ų10670 Ų7050%0.49537%0.371SS..SBendtrans-62.6132.2176.5-65.8-173.5175.500110.4I68 K73 V74 A75I68-E71 WeakPolarHBondContact O-CB 3.34Å; I68-E71 PolarHBondContact O-N 3.02Å; I68-E71 VanDerWaalsContact O-N 3.09Å; E71-K73 VanDerWaalsContact C-N 3.26Å; E71-K73 PolarHBondContact O-N 2.85Å; E71-K73 VanDerWaalsContact O-N 3.17Å; E71-V74 HydrophobicContact CB-CB 4.43Å; E71-V74 HydrophobicContact CB-CG2 4.23Å; E71-V74 PolarHBondContact O-N 3.35Å; E71-V74 VanDerWaalsContact O-N 3.07Å; E71-A75 WeakPolarHBondContact O-CB 3.49Å; E71-A75 PolarHBondContact O-N 2.97Å
72P83.3Confident84.9Confident108 Ų10879 Ų7970%0.70141%0.406SS*.Hα-helixtrans-61.8-34-169.623-33.7000112.7A76P72-A76 WeakPolarHBondContact O-CB 3.35Å; P72-A76 PolarHBondContact O-N 3.06Å
73K83.6Confident84.6Confident176 Ų17681 Ų8177%0.76542%0.418SS*.Hα-helixtrans-65.7-43177.6-64.9-179.4179.9177.20111.9E71 S77E71-K73 VanDerWaalsContact C-N 3.26Å; E71-K73 PolarHBondContact O-N 2.85Å; E71-K73 VanDerWaalsContact O-N 3.17Å; K73-S77 PolarHBondContact O-N 2.81Å; K73-S77 PolarHBondContact O-OG 3.02Å
74V81.7Confident84.4Confident22 Ų2284.3 Ų84.313%0.13343%0.429CS..Hα-helixtrans-73.7-46.7179.6-178.50000109.9I68 L69 E71 A76 S77 V78I68-V74 HydrophobicContact CG2-CG2 4.4Å; L69-V74 HydrophobicContact CD2-CG1 4.06Å; E71-V74 HydrophobicContact CB-CB 4.43Å; E71-V74 HydrophobicContact CB-CG2 4.23Å; E71-V74 PolarHBondContact O-N 3.35Å; E71-V74 VanDerWaalsContact O-N 3.07Å; V74-A76 PolarHBondContact O-N 3.42Å; V74-S77 WeakPolarHBondContact O-CB 3.35Å; V74-S77 PolarHBondContact O-N 3.36Å; V74-S77 VanDerWaalsContact O-N 3.14Å; V74-V78 HydrophobicContact CG1-CG2 4.24Å; V74-V78 WeakPolarHBondContact O-CB 3.25Å; V74-V78 VanDerWaalsContact O-CG2 3.3Å; V74-V78 WeakPolarHBondContact O-CG2 3.19Å; V74-V78 PolarHBondContact O-N 3.4Å
75A82.9Confident84.1Confident26 Ų2683.7 Ų83.722%0.21543%0.427CS..Hα-helixtrans-57.8-46178.100000112.1E71 S77 V78 L79E71-A75 WeakPolarHBondContact O-CB 3.49Å; E71-A75 PolarHBondContact O-N 2.97Å; A75-S77 VanDerWaalsContact C-N 3.32Å; A75-S77 PolarHBondContact O-N 3.13Å; A75-V78 PolarHBondContact O-N 2.9Å; A75-L79 WeakPolarHBondContact O-CB 3.41Å; A75-L79 VanDerWaalsContact O-CG 3.32Å; A75-L79 WeakPolarHBondContact O-CG 3.34Å; A75-L79 PolarHBondContact O-N 2.9Å
76A83.3Confident84Confident61 Ų6186.7 Ų86.750%0.50445%0.449SS..Hα-helixtrans-60.7-41.7176.400000111.9P72 V74 N80P72-A76 WeakPolarHBondContact O-CB 3.35Å; P72-A76 PolarHBondContact O-N 3.06Å; V74-A76 PolarHBondContact O-N 3.42Å; A76-N80 WeakPolarHBondContact O-CB 3.27Å; A76-N80 PolarHBondContact O-N 3.47Å
77S81.2Confident83.9Confident67 Ų6790.1 Ų90.147%0.46946%0.464SS..Hα-helixtrans-67.8-35.8178.3-58.10000112.6K73 V74 A75 K88K73-S77 PolarHBondContact O-N 2.81Å; K73-S77 PolarHBondContact O-OG 3.02Å; V74-S77 WeakPolarHBondContact O-CB 3.35Å; V74-S77 PolarHBondContact O-N 3.36Å; V74-S77 VanDerWaalsContact O-N 3.14Å; A75-S77 VanDerWaalsContact C-N 3.32Å; A75-S77 PolarHBondContact O-N 3.13Å; S77-K88 VanDerWaalsContact O-CE 3.29Å; S77-K88 WeakPolarHBondContact O-CE 3.2Å
78V81.1Confident83.7Confident21 Ų2185.3 Ų85.313%0.12744%0.441CS..Hα-helixtrans-70.4-46.7178.2166.50000111.2L69 V74 A75 K88 L118L69-V78 HydrophobicContact CD2-CG2 4.24Å; V74-V78 HydrophobicContact CG1-CG2 4.24Å; V74-V78 WeakPolarHBondContact O-CB 3.25Å; V74-V78 VanDerWaalsContact O-CG2 3.3Å; V74-V78 WeakPolarHBondContact O-CG2 3.19Å; V74-V78 PolarHBondContact O-N 3.4Å; A75-V78 PolarHBondContact O-N 2.9Å; V78-K88 PolarHBondContact O-NZ 2.68Å; V78-L118 HydrophobicContact CG1-CB 3.44Å; V78-L118 VanDerWaalsContact CG1-CB 3.44Å; V78-L118 HydrophobicContact CG1-CD1 4.38Å; V78-L118 HydrophobicContact CG2-CD1 4.49Å
79L80.8Confident83.7Confident121 Ų12185.1 Ų85.163%0.63444%0.441SS*.Hα-helixtrans-75.6-24.3-176.5-67.4166.1000113A75 P81A75-L79 WeakPolarHBondContact O-CB 3.41Å; A75-L79 VanDerWaalsContact O-CG 3.32Å; A75-L79 WeakPolarHBondContact O-CG 3.34Å; A75-L79 PolarHBondContact O-N 2.9Å; L79-P81 VanDerWaalsContact O-CD 3.27Å; L79-P81 WeakPolarHBondContact O-CD 3.32Å
80N84.2Confident83.8Confident64 Ų6491.3 Ų91.334%0.34247%0.467SS..  trans-68.6116.4-179.3-174.9-14.2000111.8A76 Y82 V83 K88A76-N80 WeakPolarHBondContact O-CB 3.27Å; A76-N80 PolarHBondContact O-N 3.47Å; N80-Y82 VanDerWaalsContact C-N 3.33Å; N80-Y82 PolarHBondContact O-N 3.04Å; N80-Y82 WeakPolarHBondContact OD1-CB 3.41Å; N80-Y82 VanDerWaalsContact OD1-CD2 3.26Å; N80-Y82 WeakPolarHBondContact OD1-CD2 3.28Å; N80-Y82 PolarHBondContact OD1-N 3.39Å; N80-V83 HydrophobicContact CB-CG2 4.17Å; N80-K88 WeakPolarHBondContact O-CE 3.44Å; N80-K88 PolarHBondContact O-NZ 3.18Å
81P80.9Confident83.8Confident108 Ų10887.1 Ų87.170%0.70146%0.456SS*.THydrogen-bonded Turntrans-74.5-19-179.431-35.4000113.8L79 V83L79-P81 VanDerWaalsContact O-CD 3.27Å; L79-P81 WeakPolarHBondContact O-CD 3.32Å; P81-V83 VanDerWaalsContact C-N 3.26Å; P81-V83 PolarHBondContact O-N 3.39Å
82Y82.4Confident83.7Confident209 Ų20982.7 Ų82.782%0.8244%0.436SS*.THydrogen-bonded Turntrans-73.3-18.3-179.4-62.9-78.6000113.1N80 K84N80-Y82 VanDerWaalsContact C-N 3.33Å; N80-Y82 PolarHBondContact O-N 3.04Å; N80-Y82 WeakPolarHBondContact OD1-CB 3.41Å; N80-Y82 VanDerWaalsContact OD1-CD2 3.26Å; N80-Y82 WeakPolarHBondContact OD1-CD2 3.28Å; N80-Y82 PolarHBondContact OD1-N 3.39Å; Y82-K84 PolarHBondContact O-N 2.96Å
83V83.4Confident83.9Confident44 Ų4480.1 Ų80.127%0.26742%0.416SS..SBendtrans-78119.1176.9-178.10000109.5N80 P81 R85 I87 K88N80-V83 HydrophobicContact CB-CG2 4.17Å; P81-V83 VanDerWaalsContact C-N 3.26Å; P81-V83 PolarHBondContact O-N 3.39Å; V83-R85 PolarHBondContact O-N 2.94Å; V83-I87 HydrophobicContact CG1-CB 4.22Å; V83-I87 HydrophobicContact CG1-CG2 4.25Å; V83-K88 HydrophobicContact CB-CG 4.39Å; V83-K88 HydrophobicContact CG1-CG 3.77Å; V83-K88 WeakPolarHBondContact O-CE 3.48Å
84K85.9Confident84.1Confident151 Ų15176.3 Ų76.366%0.65740%0.404SS*.  trans-54.7137.9177.9-67.6-177.6179.5177.70111Y82 S86 I87 K88Y82-K84 PolarHBondContact O-N 2.96Å; K84-S86 PolarHBondContact O-N 3.12Å; K84-I87 HydrophobicContact CB-CD1 4.1Å; K84-I87 HydrophobicContact CB-CG1 4.22Å; K84-I87 WeakPolarHBondContact O-CB 3.26Å; K84-I87 PolarHBondContact O-N 3.03Å; K84-K88 PolarHBondContact O-N 3.37Å
85R84.3Confident84.2Confident126 Ų12677.5 Ų77.548%0.47541%0.409SS..Hα-helixtrans-54.5-39.6179.4-179.5-176.7-103.6161.75.4112.9V83 I87 K88 V89 A113 E114 N115V83-R85 PolarHBondContact O-N 2.94Å; R85-I87 VanDerWaalsContact C-N 3.27Å; R85-I87 PolarHBondContact O-N 3.34Å; R85-K88 PolarHBondContact O-N 3.22Å; R85-K88 VanDerWaalsContact O-N 3.15Å; R85-V89 HydrophobicContact CG-CG2 4.27Å; R85-V89 WeakPolarHBondContact O-CG2 3.41Å; R85-V89 PolarHBondContact O-N 3.05Å; R85-A113 WeakPolarHBondContact CG-O 3.4Å; R85-A113 PolarHBondContact NE-O 2.97Å; R85-E114 VanDerWaalsContact NE-C 3.28Å; R85-E114 PolarHBondContact NE-O 3.39Å; R85-E114 PolarHBondContact NH1-O 2.87Å; R85-E114 PolarHBondContact NH2-O 2.87Å; R85-N115 VanDerWaalsContact NH2-CA 3.28Å; R85-N115 PolarHBondContact NH2-O 3.29Å
86S85.3Confident84.3Confident73 Ų7376.7 Ų76.751%0.5140%0.401SS..Hα-helixtrans-59.9-36.4178.252.30000112.9K84 K90K84-S86 PolarHBondContact O-N 3.12Å; S86-K90 WeakPolarHBondContact O-CG 3.49Å; S86-K90 PolarHBondContact O-N 3.29Å; S86-K90 VanDerWaalsContact O-N 3.14Å
87I85.9Confident84.4Confident86 Ų8677.2 Ų77.244%0.44141%0.406SS..Hα-helixtrans-69.9-44.3176.3-58.5173.8000109.5V83 K84 R85 V89 K90 S91V83-I87 HydrophobicContact CG1-CB 4.22Å; V83-I87 HydrophobicContact CG1-CG2 4.25Å; K84-I87 HydrophobicContact CB-CD1 4.1Å; K84-I87 HydrophobicContact CB-CG1 4.22Å; K84-I87 WeakPolarHBondContact O-CB 3.26Å; K84-I87 PolarHBondContact O-N 3.03Å; R85-I87 VanDerWaalsContact C-N 3.27Å; R85-I87 PolarHBondContact O-N 3.34Å; I87-V89 PolarHBondContact O-N 2.93Å; I87-K90 PolarHBondContact O-N 2.81Å; I87-S91 PolarHBondContact O-N 2.99Å; I87-S91 PolarHBondContact O-OG 3.14Å; I87-S91 VanDerWaalsContact O-OG 3.11Å
88K84.1Confident84.7Confident35 Ų3582.4 Ų82.415%0.15242%0.42CS..Hα-helixtrans-58.8-45.1176.7-61.6-170.9179.6-1760112.5S77 V78 N80 V83 K84 R85 S91 L92 L118S77-K88 VanDerWaalsContact O-CE 3.29Å; S77-K88 WeakPolarHBondContact O-CE 3.2Å; V78-K88 PolarHBondContact O-NZ 2.68Å; N80-K88 WeakPolarHBondContact O-CE 3.44Å; N80-K88 PolarHBondContact O-NZ 3.18Å; V83-K88 HydrophobicContact CB-CG 4.39Å; V83-K88 HydrophobicContact CG1-CG 3.77Å; V83-K88 WeakPolarHBondContact O-CE 3.48Å; K84-K88 PolarHBondContact O-N 3.37Å; R85-K88 PolarHBondContact O-N 3.22Å; R85-K88 VanDerWaalsContact O-N 3.15Å; K88-S91 PolarHBondContact O-N 3.22Å; K88-L92 WeakPolarHBondContact O-CB 3.43Å; K88-L92 VanDerWaalsContact O-CG 3.27Å; K88-L92 WeakPolarHBondContact O-CG 3.35Å; K88-L92 PolarHBondContact O-N 3.1Å; K88-L118 HydrophobicContact CB-CD1 4.46Å; K88-L118 HydrophobicContact CD-CD1 4.31Å
89V86.3Confident84.7Confident23 Ų2385.2 Ų85.214%0.13943%0.432CS..Hα-helixtrans-61.6-44.8177.3174.10000110.6R85 I87 L92 N93 A113 E114R85-V89 HydrophobicContact CG-CG2 4.27Å; R85-V89 WeakPolarHBondContact O-CG2 3.41Å; R85-V89 PolarHBondContact O-N 3.05Å; I87-V89 PolarHBondContact O-N 2.93Å; V89-L92 PolarHBondContact O-N 3.47Å; V89-N93 WeakPolarHBondContact CG1-ND2 3.35Å; V89-N93 WeakPolarHBondContact O-CB 3.42Å; V89-N93 PolarHBondContact O-N 3.36Å; V89-N93 PolarHBondContact O-ND2 3.21Å; V89-A113 HydrophobicContact CB-CB 4.46Å; V89-A113 HydrophobicContact CG2-CB 3.59Å; V89-E114 HydrophobicContact CG2-CG 4.16Å
90K87Confident85Confident146 Ų14690 Ų9064%0.63544%0.441SS*.Hα-helixtrans-61.6-50.8176.9-74-179.4179-169.50111.9S86 I87 L92 N93 D94S86-K90 WeakPolarHBondContact O-CG 3.49Å; S86-K90 PolarHBondContact O-N 3.29Å; S86-K90 VanDerWaalsContact O-N 3.14Å; I87-K90 PolarHBondContact O-N 2.81Å; K90-L92 VanDerWaalsContact C-N 3.29Å; K90-L92 PolarHBondContact O-N 3.38Å; K90-N93 WeakPolarHBondContact O-CB 3.41Å; K90-N93 PolarHBondContact O-N 2.88Å; K90-N93 VanDerWaalsContact O-N 3.09Å; K90-D94 VanDerWaalsContact O-CG 3.27Å; K90-D94 PolarHBondContact O-N 3.17Å
91S85.5Confident85.1Confident56 Ų5688 Ų8839%0.39243%0.429SS..Hα-helixtrans-59.3-39.1179.3-58.40000112.7I87 K88 D94 I95I87-S91 PolarHBondContact O-N 2.99Å; I87-S91 PolarHBondContact O-OG 3.14Å; I87-S91 VanDerWaalsContact O-OG 3.11Å; K88-S91 PolarHBondContact O-N 3.22Å; S91-D94 PolarHBondContact O-N 2.82Å; S91-I95 WeakPolarHBondContact O-CD1 3.2Å; S91-I95 VanDerWaalsContact O-CG1 3.24Å; S91-I95 WeakPolarHBondContact O-CG1 3.44Å; S91-I95 PolarHBondContact O-N 3.36Å
92L84.7Confident85.5Confident14 Ų1483.1 Ų83.17%0.07340%0.398CS..Hα-helixtrans-70.8-34.8176.8-71.1169.7000112.7K88 V89 K90 I95 T96 I109 A113 L118K88-L92 WeakPolarHBondContact O-CB 3.43Å; K88-L92 VanDerWaalsContact O-CG 3.27Å; K88-L92 WeakPolarHBondContact O-CG 3.35Å; K88-L92 PolarHBondContact O-N 3.1Å; V89-L92 PolarHBondContact O-N 3.47Å; K90-L92 VanDerWaalsContact C-N 3.29Å; K90-L92 PolarHBondContact O-N 3.38Å; L92-I95 HydrophobicContact CD2-CD1 4.43Å; L92-I95 PolarHBondContact O-N 2.77Å; L92-T96 VanDerWaalsContact O-CB 3.26Å; L92-T96 WeakPolarHBondContact O-CB 3.5Å; L92-T96 PolarHBondContact O-N 2.81Å; L92-T96 PolarHBondContact O-OG1 3.32Å; L92-I109 HydrophobicContact CB-CG2 3.98Å; L92-I109 HydrophobicContact CD1-CG2 3.94Å; L92-I109 HydrophobicContact CD2-CG2 4.14Å; L92-I109 HydrophobicContact CG-CG2 4.24Å; L92-A113 HydrophobicContact CD1-CB 3.71Å; L92-L118 HydrophobicContact CD1-CD1 3.62Å; L92-L118 HydrophobicContact CD1-CD2 3.56Å; L92-L118 HydrophobicContact CD1-CG 4.24Å
93N87Confident85.9Confident53 Ų5376.9 Ų76.928%0.28338%0.383SS..Hα-helixtrans-63.7-42.5171-80.4-56000111.6V89 K90 I95 T96 A97 N110V89-N93 WeakPolarHBondContact CG1-ND2 3.35Å; V89-N93 WeakPolarHBondContact O-CB 3.42Å; V89-N93 PolarHBondContact O-N 3.36Å; V89-N93 PolarHBondContact O-ND2 3.21Å; K90-N93 WeakPolarHBondContact O-CB 3.41Å; K90-N93 PolarHBondContact O-N 2.88Å; K90-N93 VanDerWaalsContact O-N 3.09Å; N93-I95 VanDerWaalsContact C-N 3.35Å; N93-I95 PolarHBondContact O-N 2.93Å; N93-T96 PolarHBondContact O-N 3.46Å; N93-A97 VanDerWaalsContact O-CB 3.31Å; N93-A97 WeakPolarHBondContact O-CB 3.45Å; N93-A97 PolarHBondContact O-N 3.15Å; N93-N110 VanDerWaalsContact CG-OD1 3.24Å; N93-N110 PolarHBondContact ND2-OD1 3.41Å; N93-N110 VanDerWaalsContact OD1-CG 3.31Å; N93-N110 PolarHBondContact OD1-ND2 3.32Å; N93-N110 PolarHBondContact OD1-OD1 3.46Å
94D87.4Confident86.2Confident97 Ų9775.6 Ų75.652%0.51938%0.375SS..Hα-helixtrans-62.8-41.8177.4-61.7-32.4000111.5K90 S91 K98K90-D94 VanDerWaalsContact O-CG 3.27Å; K90-D94 PolarHBondContact O-N 3.17Å; S91-D94 PolarHBondContact O-N 2.82Å; D94-K98 VanDerWaalsContact O-CG 3.25Å; D94-K98 WeakPolarHBondContact O-CG 3.49Å; D94-K98 PolarHBondContact O-N 3.48Å; D94-K98 VanDerWaalsContact O-N 3.08Å
95I85.4Confident86.5Confident47 Ų4768.4 Ų68.424%0.24134%0.344CS..Hα-helixtrans-63.4-45.8175-68.6163.5000110.5I68 S91 L92 N93 A97 K98 E99I68-I95 HydrophobicContact CD1-CG2 4.43Å; I68-I95 HydrophobicContact CG2-CG2 4.15Å; S91-I95 WeakPolarHBondContact O-CD1 3.2Å; S91-I95 VanDerWaalsContact O-CG1 3.24Å; S91-I95 WeakPolarHBondContact O-CG1 3.44Å; S91-I95 PolarHBondContact O-N 3.36Å; L92-I95 HydrophobicContact CD2-CD1 4.43Å; L92-I95 PolarHBondContact O-N 2.77Å; N93-I95 VanDerWaalsContact C-N 3.35Å; N93-I95 PolarHBondContact O-N 2.93Å; I95-A97 VanDerWaalsContact C-N 3.34Å; I95-A97 PolarHBondContact O-N 3.49Å; I95-K98 PolarHBondContact O-N 3.34Å; I95-E99 PolarHBondContact O-N 2.93Å; I95-E99 VanDerWaalsContact O-N 3.1Å
96T84.7Confident86.8Confident8 Ų863.8 Ų63.85%0.04933%0.329CS..Hα-helixtrans-65.5-38-178.9-59.60000112.1L92 N93 R100 F101 T106L92-T96 VanDerWaalsContact O-CB 3.26Å; L92-T96 WeakPolarHBondContact O-CB 3.5Å; L92-T96 PolarHBondContact O-N 2.81Å; L92-T96 PolarHBondContact O-OG1 3.32Å; N93-T96 PolarHBondContact O-N 3.46Å; T96-R100 PolarHBondContact O-N 2.93Å; T96-F101 HydrophobicContact CG2-CB 3.89Å; T96-F101 HydrophobicContact CG2-CD2 3.63Å; T96-F101 HydrophobicContact CG2-CG 4.22Å; T96-F101 PolarHBondContact O-N 3.27Å; T96-T106 HydrophobicContact CG2-CG2 3.56Å; T96-T106 WeakPolarHBondContact CG2-OG1 3.4Å
97A85.6Confident87.1Confident72 Ų7264.7 Ų64.760%0.59533%0.329SS*.Hα-helixtrans-67.5-38.3176.200000112N93 I95 R100N93-A97 VanDerWaalsContact O-CB 3.31Å; N93-A97 WeakPolarHBondContact O-CB 3.45Å; N93-A97 PolarHBondContact O-N 3.15Å; I95-A97 VanDerWaalsContact C-N 3.34Å; I95-A97 PolarHBondContact O-N 3.49Å; A97-R100 PolarHBondContact O-N 3.25Å
98K86.4Confident87.3Confident176 Ų17661.1 Ų61.177%0.76531%0.31SS*.Hα-helixtrans-63.4-43.5175.3-75.1172.3-178.2-177.60112.3D94 I95 R100D94-K98 VanDerWaalsContact O-CG 3.25Å; D94-K98 WeakPolarHBondContact O-CG 3.49Å; D94-K98 PolarHBondContact O-N 3.48Å; D94-K98 VanDerWaalsContact O-N 3.08Å; I95-K98 PolarHBondContact O-N 3.34Å; K98-R100 VanDerWaalsContact C-N 3.34Å
99E82.5Confident87.6Confident80 Ų8059.9 Ų59.937%0.37431%0.305SS..Hα-helixtrans-79.8-12.9-179.7-75.8-84.5151.500113.9R64 I68 I95 F101R64-E99 IonicContact NH1-OE2 3.95Å; I68-E99 HydrophobicContact CD1-CG 3.95Å; I95-E99 PolarHBondContact O-N 2.93Å; I95-E99 VanDerWaalsContact O-N 3.1Å; E99-F101 HydrophobicContact CB-CD1 4.11Å; E99-F101 HydrophobicContact CB-CD2 4.09Å; E99-F101 HydrophobicContact CB-CE1 3.67Å; E99-F101 HydrophobicContact CB-CE2 3.62Å; E99-F101 HydrophobicContact CB-CG 4.3Å; E99-F101 HydrophobicContact CB-CZ 3.39Å; E99-F101 HydrophobicContact CG-CE1 4.26Å; E99-F101 HydrophobicContact CG-CE2 4.03Å; E99-F101 HydrophobicContact CG-CZ 3.64Å
100R85.3Confident87.8Confident222 Ų22259.9 Ų59.984%0.83830%0.304SS*.THydrogen-bonded Turntrans56.548.4-177-57.4179.5176.8173.3-1.2113.5T96 A97 K98T96-R100 PolarHBondContact O-N 2.93Å; A97-R100 PolarHBondContact O-N 3.25Å; K98-R100 VanDerWaalsContact C-N 3.34Å
101F88Confident88Confident21 Ų2156.7 Ų56.79%0.09229%0.294CS..  trans-67.5158175.8-58.9-48.8000113E61 R64 V65 I68 T96 E99 T105E61-F101 HydrophobicContact CB-CD1 4.01Å; E61-F101 HydrophobicContact CB-CE1 4.47Å; E61-F101 HydrophobicContact CG-CD1 3.94Å; R64-F101 HydrophobicContact CB-CE1 4.26Å; R64-F101 HydrophobicContact CB-CZ 4.45Å; V65-F101 HydrophobicContact CG2-CD2 4.17Å; V65-F101 HydrophobicContact CG2-CE1 4.4Å; V65-F101 HydrophobicContact CG2-CE2 3.63Å; V65-F101 HydrophobicContact CG2-CZ 3.76Å; I68-F101 HydrophobicContact CD1-CE2 4.46Å; I68-F101 HydrophobicContact CD1-CZ 3.97Å; T96-F101 HydrophobicContact CG2-CB 3.89Å; T96-F101 HydrophobicContact CG2-CD2 3.63Å; T96-F101 HydrophobicContact CG2-CG 4.22Å; T96-F101 PolarHBondContact O-N 3.27Å; E99-F101 HydrophobicContact CB-CD1 4.11Å; E99-F101 HydrophobicContact CB-CD2 4.09Å; E99-F101 HydrophobicContact CB-CE1 3.67Å; E99-F101 HydrophobicContact CB-CE2 3.62Å; E99-F101 HydrophobicContact CB-CG 4.3Å; E99-F101 HydrophobicContact CB-CZ 3.39Å; E99-F101 HydrophobicContact CG-CE1 4.26Å; E99-F101 HydrophobicContact CG-CE2 4.03Å; E99-F101 HydrophobicContact CG-CZ 3.64Å; F101-T105 HydrophobicContact CB-CG2 4.27Å; F101-T105 HydrophobicContact CG-CG2 4.36Å
102S89.5Confident88.2Confident7 Ų754.1 Ų54.15%0.04928%0.276CS..  trans-61.8153.217473.20000111.6E61 L104 T105 T106E61-S102 VanDerWaalsContact CD-N 3.34Å; E61-S102 WeakPolarHBondContact OE1-CB 3.39Å; E61-S102 PolarHBondContact OE1-N 3.03Å; E61-S102 VanDerWaalsContact OE1-N 3.14Å; E61-S102 WeakPolarHBondContact OE2-CB 3.27Å; E61-S102 PolarHBondContact OE2-N 2.9Å; E61-S102 PolarHBondContact OE2-OG 3.34Å; S102-L104 PolarHBondContact O-N 3.01Å; S102-L104 VanDerWaalsContact O-N 3.09Å; S102-T105 PolarHBondContact O-N 3.32Å; S102-T105 VanDerWaalsContact O-N 3.08Å; S102-T105 PolarHBondContact OG-N 2.91Å; S102-T105 PolarHBondContact OG-OG1 3Å; S102-T106 PolarHBondContact O-N 2.82Å; S102-T106 PolarHBondContact O-OG1 3.04Å
103P89.9Confident88.3Confident78 Ų7853.5 Ų53.551%0.50627%0.273SS..Hα-helixtrans-59.4-26.4179.324.2-35.1000112.8N107P103-N107 VanDerWaalsContact O-CB 3.24Å; P103-N107 WeakPolarHBondContact O-CB 3.44Å; P103-N107 PolarHBondContact O-N 2.92Å; P103-N107 PolarHBondContact O-ND2 2.92Å; P103-N107 VanDerWaalsContact O-ND2 3.08Å
104L90.6Very high88.4Confident17 Ų1755.8 Ų55.89%0.08928%0.282CS..Hα-helixtrans-65.5-48.5175.9-68.8178.6000111.6L45 A48 A49 V58 S102 L108L45-L104 HydrophobicContact CD1-CB 4.42Å; A48-L104 HydrophobicContact CB-CD2 3.95Å; A49-L104 HydrophobicContact CB-CD1 4Å; V58-L104 HydrophobicContact CG2-CB 4.16Å; V58-L104 HydrophobicContact CG2-CD1 3.94Å; S102-L104 PolarHBondContact O-N 3.01Å; S102-L104 VanDerWaalsContact O-N 3.09Å; L104-L108 PolarHBondContact O-N 3.41Å
105T90.3Very high88.4Confident0 Ų054.4 Ų54.40%028%0.275CS..Hα-helixtrans-67-44.2178.8-52.90000110.6E61 L62 V65 F101 S102 N107 L108 I109E61-T105 HydrophobicContact CB-CG2 4.2Å; E61-T105 WeakPolarHBondContact OE2-CB 3.37Å; E61-T105 PolarHBondContact OE2-OG1 3.39Å; L62-T105 HydrophobicContact CD2-CG2 4.36Å; V65-T105 HydrophobicContact CG2-CG2 4.04Å; F101-T105 HydrophobicContact CB-CG2 4.27Å; F101-T105 HydrophobicContact CG-CG2 4.36Å; S102-T105 PolarHBondContact O-N 3.32Å; S102-T105 VanDerWaalsContact O-N 3.08Å; S102-T105 PolarHBondContact OG-N 2.91Å; S102-T105 PolarHBondContact OG-OG1 3Å; T105-N107 PolarHBondContact O-N 2.9Å; T105-L108 WeakPolarHBondContact O-CB 3.33Å; T105-L108 PolarHBondContact O-N 3.25Å; T105-I109 WeakPolarHBondContact O-CG1 3.45Å; T105-I109 PolarHBondContact O-N 3.25Å
106T90.8Very high88.3Confident28 Ų2854.4 Ų54.417%0.17229%0.286CS..Hα-helixtrans-57.2-47.7176.4-49.30000112.1T96 S102 L108 I109 N110T96-T106 HydrophobicContact CG2-CG2 3.56Å; T96-T106 WeakPolarHBondContact CG2-OG1 3.4Å; S102-T106 PolarHBondContact O-N 2.82Å; S102-T106 PolarHBondContact O-OG1 3.04Å; T106-L108 VanDerWaalsContact C-N 3.33Å; T106-L108 PolarHBondContact O-N 2.96Å; T106-I109 PolarHBondContact O-N 2.94Å; T106-N110 WeakPolarHBondContact O-CB 3.27Å; T106-N110 PolarHBondContact O-N 3.4Å; T106-N110 PolarHBondContact O-ND2 3.11Å
107N91.8Very high88.3Confident93 Ų9358.5 Ų58.550%0.49730%0.301SS..Hα-helixtrans-64.7-38179.1-70.5-18.2000111.8P103 T105 L111P103-N107 VanDerWaalsContact O-CB 3.24Å; P103-N107 WeakPolarHBondContact O-CB 3.44Å; P103-N107 PolarHBondContact O-N 2.92Å; P103-N107 PolarHBondContact O-ND2 2.92Å; P103-N107 VanDerWaalsContact O-ND2 3.08Å; T105-N107 PolarHBondContact O-N 2.9Å; N107-L111 WeakPolarHBondContact O-CB 3.16Å; N107-L111 WeakPolarHBondContact O-CG 3.34Å; N107-L111 PolarHBondContact O-N 3.2Å
108L91.4Very high88.3Confident11 Ų1155.6 Ų55.66%0.05828%0.275CS..Hα-helixtrans-61.4-48.8175.2-178.277.2000111.6L45 L62 L104 T105 T106 N110 L111 L112 V124L45-L108 HydrophobicContact CB-CD1 4.39Å; L45-L108 HydrophobicContact CD1-CB 4.27Å; L45-L108 HydrophobicContact CD1-CD1 4.43Å; L45-L108 HydrophobicContact CD1-CD2 4.33Å; L45-L108 HydrophobicContact CD2-CD2 3.63Å; L62-L108 HydrophobicContact CD2-CD2 3.69Å; L104-L108 PolarHBondContact O-N 3.41Å; T105-L108 WeakPolarHBondContact O-CB 3.33Å; T105-L108 PolarHBondContact O-N 3.25Å; T106-L108 VanDerWaalsContact C-N 3.33Å; T106-L108 PolarHBondContact O-N 2.96Å; L108-N110 VanDerWaalsContact C-N 3.34Å; L108-L111 PolarHBondContact O-N 2.94Å; L108-L112 HydrophobicContact CG-CD1 4.21Å; L108-L112 WeakPolarHBondContact O-CG 3.38Å; L108-L112 PolarHBondContact O-N 3.44Å; L108-V124 HydrophobicContact CD2-CG1 4.42Å
109I89.3Confident88.2Confident8 Ų850.7 Ų50.74%0.04126%0.263CS..Hα-helixtrans-66.1-39.9-178.2-60.4-52.4000111V65 L92 T105 T106 L112 A113V65-I109 HydrophobicContact CG1-CD1 3.73Å; V65-I109 HydrophobicContact CG1-CG1 4.36Å; L92-I109 HydrophobicContact CB-CG2 3.98Å; L92-I109 HydrophobicContact CD1-CG2 3.94Å; L92-I109 HydrophobicContact CD2-CG2 4.14Å; L92-I109 HydrophobicContact CG-CG2 4.24Å; T105-I109 WeakPolarHBondContact O-CG1 3.45Å; T105-I109 PolarHBondContact O-N 3.25Å; T106-I109 PolarHBondContact O-N 2.94Å; I109-L112 HydrophobicContact CD1-CD1 4.35Å; I109-L112 PolarHBondContact O-N 3.17Å; I109-A113 WeakPolarHBondContact O-CB 3.42Å; I109-A113 PolarHBondContact O-N 3.47Å
110N89.9Confident88.4Confident23 Ų2349.1 Ų49.112%0.12326%0.257CS..Hα-helixtrans-60.2-47171.8-79.8-26.4000111.9N93 T106 L108 L112 A113 E114N93-N110 VanDerWaalsContact CG-OD1 3.24Å; N93-N110 PolarHBondContact ND2-OD1 3.41Å; N93-N110 VanDerWaalsContact OD1-CG 3.31Å; N93-N110 PolarHBondContact OD1-ND2 3.32Å; N93-N110 PolarHBondContact OD1-OD1 3.46Å; T106-N110 WeakPolarHBondContact O-CB 3.27Å; T106-N110 PolarHBondContact O-N 3.4Å; T106-N110 PolarHBondContact O-ND2 3.11Å; L108-N110 VanDerWaalsContact C-N 3.34Å; N110-L112 VanDerWaalsContact C-N 3.32Å; N110-L112 PolarHBondContact O-N 3.19Å; N110-A113 WeakPolarHBondContact O-CB 3.39Å; N110-A113 PolarHBondContact O-N 3.43Å; N110-E114 VanDerWaalsContact O-CB 3.31Å; N110-E114 WeakPolarHBondContact O-CB 3.29Å; N110-E114 VanDerWaalsContact O-CG 3.31Å; N110-E114 WeakPolarHBondContact O-CG 3.3Å; N110-E114 PolarHBondContact O-N 2.89Å
111L91.1Very high88.4Confident80 Ų8038.6 Ų38.642%0.41922%0.218SC..Hα-helixtrans-61.8-38.6176.5-75.7170.3000112.3N107 L108 N115N107-L111 WeakPolarHBondContact O-CB 3.16Å; N107-L111 WeakPolarHBondContact O-CG 3.34Å; N107-L111 PolarHBondContact O-N 3.2Å; L108-L111 PolarHBondContact O-N 2.94Å; L111-N115 VanDerWaalsContact O-CB 3.27Å; L111-N115 WeakPolarHBondContact O-CB 3.48Å; L111-N115 PolarHBondContact O-N 2.86Å; L111-N115 PolarHBondContact O-ND2 2.98Å
112L89.7Confident88.5Confident1 Ų142.2 Ų42.21%0.00524%0.235CC..Hα-helixtrans-67.4-38.9176.2-71.3173.6000111.5Y41 L108 I109 N110 N115 G116 R117 L118 A121 V124Y41-L112 HydrophobicContact CD1-CD2 4.21Å; Y41-L112 HydrophobicContact CD2-CD2 3.95Å; Y41-L112 HydrophobicContact CE1-CD2 4.25Å; Y41-L112 HydrophobicContact CE2-CD2 4.01Å; Y41-L112 HydrophobicContact CG-CD2 4.06Å; L108-L112 HydrophobicContact CG-CD1 4.21Å; L108-L112 WeakPolarHBondContact O-CG 3.38Å; L108-L112 PolarHBondContact O-N 3.44Å; I109-L112 HydrophobicContact CD1-CD1 4.35Å; I109-L112 PolarHBondContact O-N 3.17Å; N110-L112 VanDerWaalsContact C-N 3.32Å; N110-L112 PolarHBondContact O-N 3.19Å; L112-N115 CarbonylContact O-C 3.49Å; L112-N115 PolarHBondContact O-N 3.38Å; L112-G116 PolarHBondContact O-N 2.79Å; L112-R117 HydrophobicContact CD2-CB 4.15Å; L112-R117 PolarHBondContact O-N 2.76Å; L112-L118 HydrophobicContact CB-CD2 3.9Å; L112-A121 HydrophobicContact CD1-CB 4.02Å; L112-V124 HydrophobicContact CD2-CG2 4.44Å
113A88Confident88.4Confident2 Ų243.3 Ų43.32%0.01725%0.247CC..Hα-helixtrans-65.4-47.4174.700000111.9R85 V89 L92 I109 N110 N115 G116 L118R85-A113 WeakPolarHBondContact CG-O 3.4Å; R85-A113 PolarHBondContact NE-O 2.97Å; V89-A113 HydrophobicContact CB-CB 4.46Å; V89-A113 HydrophobicContact CG2-CB 3.59Å; L92-A113 HydrophobicContact CD1-CB 3.71Å; I109-A113 WeakPolarHBondContact O-CB 3.42Å; I109-A113 PolarHBondContact O-N 3.47Å; N110-A113 WeakPolarHBondContact O-CB 3.39Å; N110-A113 PolarHBondContact O-N 3.43Å; A113-N115 PolarHBondContact O-N 3.18Å; A113-G116 PolarHBondContact O-N 3.41Å; A113-L118 HydrophobicContact CB-CD1 3.95Å; A113-L118 HydrophobicContact CB-CD2 4.04Å; A113-L118 HydrophobicContact CB-CG 4.2Å
114E88.1Confident88.5Confident100 Ų10039.6 Ų39.647%0.46722%0.223SC..Hα-helixtrans-65.8-20.8175.3-75.4-179.4-176.600114R85 V89 N110R85-E114 VanDerWaalsContact NE-C 3.28Å; R85-E114 PolarHBondContact NE-O 3.39Å; R85-E114 PolarHBondContact NH1-O 2.87Å; R85-E114 PolarHBondContact NH2-O 2.87Å; V89-E114 HydrophobicContact CG2-CG 4.16Å; N110-E114 VanDerWaalsContact O-CB 3.31Å; N110-E114 WeakPolarHBondContact O-CB 3.29Å; N110-E114 VanDerWaalsContact O-CG 3.31Å; N110-E114 WeakPolarHBondContact O-CG 3.3Å; N110-E114 PolarHBondContact O-N 2.89Å
115N87.9Confident88.5Confident69 Ų6939.4 Ų39.437%0.36922%0.222SC..Hα-helixtrans-99.8-4.2171.9-72.2-64.1000112.6Y41 R85 L111 L112 A113 R117Y41-N115 WeakPolarHBondContact OH-CB 3.36Å; Y41-N115 PolarHBondContact OH-ND2 3Å; Y41-N115 VanDerWaalsContact OH-ND2 3.14Å; R85-N115 VanDerWaalsContact NH2-CA 3.28Å; R85-N115 PolarHBondContact NH2-O 3.29Å; L111-N115 VanDerWaalsContact O-CB 3.27Å; L111-N115 WeakPolarHBondContact O-CB 3.48Å; L111-N115 PolarHBondContact O-N 2.86Å; L111-N115 PolarHBondContact O-ND2 2.98Å; L112-N115 CarbonylContact O-C 3.49Å; L112-N115 PolarHBondContact O-N 3.38Å; A113-N115 PolarHBondContact O-N 3.18Å; N115-R117 HydrophobicContact CB-CG 4.2Å; N115-R117 PolarHBondContact O-N 3.35Å
116G83.9Confident88.5Confident47 Ų4742.9 Ų42.949%0.48525%0.247SC..THydrogen-bonded Turntrans68.918.3177.800000112.4L112 A113 L118L112-G116 PolarHBondContact O-N 2.79Å; A113-G116 PolarHBondContact O-N 3.41Å; G116-L118 VanDerWaalsContact C-N 3.33Å
117R85.3Confident88.6Confident94 Ų9442 Ų4236%0.35524%0.242SC..  trans-101.128.5-176.1-65.6173-178.7168.3-2.6111.5Y41 L112 N115 S119 N120Y41-R117 WeakPolarHBondContact OH-CD 3.42Å; Y41-R117 PolarHBondContact OH-NH1 2.82Å; L112-R117 HydrophobicContact CD2-CB 4.15Å; L112-R117 PolarHBondContact O-N 2.76Å; N115-R117 HydrophobicContact CB-CG 4.2Å; N115-R117 PolarHBondContact O-N 3.35Å; R117-S119 PolarHBondContact O-N 2.93Å; R117-N120 WeakPolarHBondContact O-CB 3.18Å; R117-N120 PolarHBondContact O-N 2.88Å; R117-N120 VanDerWaalsContact O-N 3.08Å
118L83.9Confident88.6Confident11 Ų1137.6 Ų37.66%0.05822%0.218CC..G310 helixtrans-66.6-26.8179.1-69.9169.8000112.2V78 K88 L92 L112 A113 G116 N120 A121V78-L118 HydrophobicContact CG1-CB 3.44Å; V78-L118 VanDerWaalsContact CG1-CB 3.44Å; V78-L118 HydrophobicContact CG1-CD1 4.38Å; V78-L118 HydrophobicContact CG2-CD1 4.49Å; K88-L118 HydrophobicContact CB-CD1 4.46Å; K88-L118 HydrophobicContact CD-CD1 4.31Å; L92-L118 HydrophobicContact CD1-CD1 3.62Å; L92-L118 HydrophobicContact CD1-CD2 3.56Å; L92-L118 HydrophobicContact CD1-CG 4.24Å; L112-L118 HydrophobicContact CB-CD2 3.9Å; A113-L118 HydrophobicContact CB-CD1 3.95Å; A113-L118 HydrophobicContact CB-CD2 4.04Å; A113-L118 HydrophobicContact CB-CG 4.2Å; G116-L118 VanDerWaalsContact C-N 3.33Å; L118-N120 VanDerWaalsContact C-N 3.26Å; L118-N120 PolarHBondContact O-N 3.28Å; L118-A121 WeakPolarHBondContact O-CB 3.18Å; L118-A121 PolarHBondContact O-N 3.41Å
119S84.3Confident88.5Confident73 Ų7338.9 Ų38.951%0.5123%0.228SC..G310 helixtrans-59.4-37.5169.646.80000112.1R117 A121R117-S119 PolarHBondContact O-N 2.93Å; S119-A121 VanDerWaalsContact C-N 3.26Å; S119-A121 PolarHBondContact O-N 3.26Å
120N86.7Confident88.5Confident46 Ų4641.4 Ų41.425%0.24624%0.244CC..G310 helixtrans-80.5-3.2179.4-55.791.4000113.1E38 R117 L118 Q122 G123 V124E38-N120 HydrophobicContact CG-CB 4.15Å; E38-N120 PolarHBondContact OE1-ND2 3.14Å; R117-N120 WeakPolarHBondContact O-CB 3.18Å; R117-N120 PolarHBondContact O-N 2.88Å; R117-N120 VanDerWaalsContact O-N 3.08Å; L118-N120 VanDerWaalsContact C-N 3.26Å; L118-N120 PolarHBondContact O-N 3.28Å; N120-Q122 VanDerWaalsContact C-N 3.28Å; N120-Q122 PolarHBondContact O-N 3.42Å; N120-G123 WeakPolarHBondContact O-CA 3.5Å; N120-G123 PolarHBondContact O-N 2.84Å; N120-V124 WeakPolarHBondContact O-CG2 3.14Å; N120-V124 PolarHBondContact O-N 3.07Å
121A86.9Confident88.5Confident2 Ų240.3 Ų40.32%0.01724%0.238CC..Hα-helixtrans-58.9-39.1-176.700000112.3L69 L112 L118 S119 G123 V124 V125L69-A121 HydrophobicContact CD1-CB 3.61Å; L112-A121 HydrophobicContact CD1-CB 4.02Å; L118-A121 WeakPolarHBondContact O-CB 3.18Å; L118-A121 PolarHBondContact O-N 3.41Å; S119-A121 VanDerWaalsContact C-N 3.26Å; S119-A121 PolarHBondContact O-N 3.26Å; A121-G123 VanDerWaalsContact C-N 3.32Å; A121-G123 PolarHBondContact O-N 3.07Å; A121-V124 PolarHBondContact O-N 3.1Å; A121-V125 WeakPolarHBondContact O-CG2 3.38Å; A121-V125 PolarHBondContact O-N 3.22Å
122Q88.3Confident88.5Confident97 Ų9736.6 Ų36.645%0.45322%0.219SC..Hα-helixtrans-62.5-39.8175.4-67.4-175.5-2.900112.1N120 V125 S126N120-Q122 VanDerWaalsContact C-N 3.28Å; N120-Q122 PolarHBondContact O-N 3.42Å; Q122-V125 PolarHBondContact O-N 2.95Å; Q122-S126 PolarHBondContact O-N 2.95Å
123G89.1Confident88.3Confident29 Ų2937.3 Ų37.330%0.29922%0.224SC..Hα-helixtrans-66.6-38175.700000112.5N120 A121 S126 A127N120-G123 WeakPolarHBondContact O-CA 3.5Å; N120-G123 PolarHBondContact O-N 2.84Å; A121-G123 VanDerWaalsContact C-N 3.32Å; A121-G123 PolarHBondContact O-N 3.07Å; G123-S126 PolarHBondContact O-N 3.17Å; G123-A127 WeakPolarHBondContact O-CB 3.42Å; G123-A127 PolarHBondContact O-N 3.25Å
124V91.3Very high88.2Confident1 Ų140 Ų401%0.00624%0.24CC..Hα-helixtrans-61.5-44.5173.3177.30000111E38 A42 L108 L112 N120 A121 A127 F128E38-V124 HydrophobicContact CB-CG2 4.04Å; E38-V124 HydrophobicContact CG-CG2 4.33Å; A42-V124 HydrophobicContact CB-CG1 4.25Å; L108-V124 HydrophobicContact CD2-CG1 4.42Å; L112-V124 HydrophobicContact CD2-CG2 4.44Å; N120-V124 WeakPolarHBondContact O-CG2 3.14Å; N120-V124 PolarHBondContact O-N 3.07Å; A121-V124 PolarHBondContact O-N 3.1Å; V124-A127 PolarHBondContact O-N 2.82Å; V124-F128 WeakPolarHBondContact O-CB 3.49Å; V124-F128 PolarHBondContact O-N 2.82Å
125V91.4Very high88.2Confident12 Ų1239.9 Ų39.97%0.07324%0.24CC..Hα-helixtrans-62.9-44.8177.7175.30000110.9L62 L63 A66 A121 Q122 F128 S129L62-V125 HydrophobicContact CB-CG1 4.16Å; L62-V125 HydrophobicContact CB-CG2 4.14Å; L62-V125 HydrophobicContact CD2-CG2 4.17Å; L63-V125 HydrophobicContact CD2-CG1 4.39Å; A66-V125 HydrophobicContact CB-CB 4.37Å; A66-V125 HydrophobicContact CB-CG1 3.97Å; A66-V125 HydrophobicContact CB-CG2 4.26Å; A121-V125 WeakPolarHBondContact O-CG2 3.38Å; A121-V125 PolarHBondContact O-N 3.22Å; Q122-V125 PolarHBondContact O-N 2.95Å; V125-F128 PolarHBondContact O-N 2.95Å; V125-S129 PolarHBondContact O-N 3.01Å
126S90.5Very high88Confident74 Ų7441.5 Ų41.552%0.51724%0.24SC..Hα-helixtrans-61.3-47.3176.8179.70000111.7Q122 G123 F128 S129 T130Q122-S126 PolarHBondContact O-N 2.95Å; G123-S126 PolarHBondContact O-N 3.17Å; S126-F128 VanDerWaalsContact C-N 3.31Å; S126-F128 PolarHBondContact O-N 2.82Å; S126-S129 PolarHBondContact O-N 3.37Å; S126-T130 PolarHBondContact O-N 2.95Å; S126-T130 PolarHBondContact O-OG1 3.37Å; S126-T130 VanDerWaalsContact O-OG1 3.07Å
127A91.8Very high88Confident8 Ų840.1 Ų40.17%0.06623%0.226CC..Hα-helixtrans-60.1-40.8177.200000112.1V34 A42 G123 V124 T130 M131V34-A127 HydrophobicContact CB-CB 4.37Å; V34-A127 HydrophobicContact CG1-CB 3.87Å; V34-A127 HydrophobicContact CG2-CB 4.41Å; A42-A127 HydrophobicContact CB-CB 3.91Å; G123-A127 WeakPolarHBondContact O-CB 3.42Å; G123-A127 PolarHBondContact O-N 3.25Å; V124-A127 PolarHBondContact O-N 2.82Å; A127-T130 PolarHBondContact O-N 2.94Å; A127-M131 WeakPolarHBondContact O-CG 3.33Å; A127-M131 PolarHBondContact O-N 3.33Å; A127-M131 VanDerWaalsContact O-N 3.11Å
128F91.7Very high88Confident1 Ų137.6 Ų37.60%0.00422%0.218CC..Hα-helixtrans-64.6-44.5176.4-169.8-92.9000112.1A42 L45 Y46 V58 E59 L62 V124 V125 S126 T130 M131 M132A42-F128 HydrophobicContact CB-CB 4.38Å; L45-F128 HydrophobicContact CB-CD2 4.49Å; L45-F128 HydrophobicContact CB-CE2 4.42Å; L45-F128 HydrophobicContact CD2-CD2 3.82Å; L45-F128 HydrophobicContact CD2-CE2 3.88Å; L45-F128 HydrophobicContact CD2-CG 4.41Å; L45-F128 HydrophobicContact CG-CD2 4.34Å; L45-F128 HydrophobicContact CG-CE2 4.03Å; Y46-F128 HydrophobicContact CD2-CE2 4.3Å; V58-F128 HydrophobicContact CB-CZ 4.48Å; V58-F128 HydrophobicContact CG1-CE1 4.28Å; V58-F128 HydrophobicContact CG1-CZ 4.01Å; E59-F128 HydrophobicContact CB-CE1 3.98Å; E59-F128 HydrophobicContact CG-CE1 4.49Å; L62-F128 HydrophobicContact CD1-CB 3.91Å; L62-F128 HydrophobicContact CD1-CD1 3.42Å; L62-F128 VanDerWaalsContact CD1-CD1 3.42Å; L62-F128 HydrophobicContact CD1-CD2 4.26Å; L62-F128 HydrophobicContact CD1-CE1 3.94Å; L62-F128 HydrophobicContact CD1-CG 3.59Å; V124-F128 WeakPolarHBondContact O-CB 3.49Å; V124-F128 PolarHBondContact O-N 2.82Å; V125-F128 PolarHBondContact O-N 2.95Å; S126-F128 VanDerWaalsContact C-N 3.31Å; S126-F128 PolarHBondContact O-N 2.82Å; F128-T130 VanDerWaalsContact C-N 3.32Å; F128-T130 PolarHBondContact O-N 3.43Å; F128-M131 HydrophobicContact CB-CE 4.43Å; F128-M131 HydrophobicContact CD2-CE 4.17Å; F128-M131 PolarHBondContact O-N 2.82Å; F128-M131 VanDerWaalsContact O-N 3.17Å; F128-M132 HydrophobicContact CD1-CG 3.83Å; F128-M132 HydrophobicContact CE1-CG 3.5Å; F128-M132 VanDerWaalsContact CE1-CG 3.5Å; F128-M132 HydrophobicContact CE1-SD 4.08Å; F128-M132 HydrophobicContact CZ-CG 4.1Å; F128-M132 HydrophobicContact CZ-SD 4.17Å; F128-M132 WeakPolarHBondContact O-CG 3.41Å; F128-M132 PolarHBondContact O-N 2.98Å
129S89.9Confident87.9Confident38 Ų3838.2 Ų38.227%0.26622%0.223SC..Hα-helixtrans-61.1-40.3175.9-175.60000111.8V125 S126 M131 M132 S133V125-S129 PolarHBondContact O-N 3.01Å; S126-S129 PolarHBondContact O-N 3.37Å; S129-M131 PolarHBondContact O-N 3.35Å; S129-M132 PolarHBondContact O-N 3.23Å; S129-S133 PolarHBondContact O-N 3.45Å
130T89.3Confident87.9Confident61 Ų6138.6 Ų38.637%0.37422%0.218SC..Hα-helixtrans-59.4-44.8173.5-53.90000112S126 A127 F128 M132 S133 V134S126-T130 PolarHBondContact O-N 2.95Å; S126-T130 PolarHBondContact O-OG1 3.37Å; S126-T130 VanDerWaalsContact O-OG1 3.07Å; A127-T130 PolarHBondContact O-N 2.94Å; F128-T130 VanDerWaalsContact C-N 3.32Å; F128-T130 PolarHBondContact O-N 3.43Å; T130-M132 VanDerWaalsContact C-N 3.32Å; T130-M132 PolarHBondContact O-N 3.46Å; T130-S133 PolarHBondContact O-N 2.84Å; T130-V134 WeakPolarHBondContact O-CG2 3.35Å; T130-V134 PolarHBondContact O-N 3.39Å
131M90.4Very high87.8Confident0 Ų036.4 Ų36.40%021%0.207CC..Hα-helixtrans-65-36.2176.9-69.7-177.2-67.100112.5P30 P31 V34 A42 T43 A127 F128 S129 V134 H135P30-M131 HydrophobicContact CB-CG 4.48Å; P30-M131 HydrophobicContact CB-SD 3.67Å; P30-M131 HydrophobicContact CG-SD 4.17Å; P31-M131 WeakPolarHBondContact CG-O 3.19Å; V34-M131 HydrophobicContact CG2-CG 4.03Å; V34-M131 HydrophobicContact CG2-SD 4.44Å; A42-M131 HydrophobicContact CB-CE 3.32Å; T43-M131 HydrophobicContact CG2-SD 4.09Å; A127-M131 WeakPolarHBondContact O-CG 3.33Å; A127-M131 PolarHBondContact O-N 3.33Å; A127-M131 VanDerWaalsContact O-N 3.11Å; F128-M131 HydrophobicContact CB-CE 4.43Å; F128-M131 HydrophobicContact CD2-CE 4.17Å; F128-M131 PolarHBondContact O-N 2.82Å; F128-M131 VanDerWaalsContact O-N 3.17Å; S129-M131 PolarHBondContact O-N 3.35Å; M131-V134 PolarHBondContact O-N 2.83Å; M131-H135 WeakPolarHBondContact O-CB 3.21Å; M131-H135 PolarHBondContact O-N 2.95Å
132M89.4Confident87.9Confident3 Ų337.6 Ų37.62%0.01521%0.214CC..Hα-helixtrans-68.7-42.8176.8-74.5-59.9-66.600112.6Y46 L55 E59 F128 S129 T130 V134 H135 R136Y46-M132 HydrophobicContact CD2-SD 4.48Å; Y46-M132 HydrophobicContact CE2-SD 4.24Å; L55-M132 HydrophobicContact CB-CE 3.82Å; L55-M132 HydrophobicContact CB-SD 3.96Å; L55-M132 HydrophobicContact CD2-SD 4.19Å; E59-M132 HydrophobicContact CB-CE 4.45Å; E59-M132 HydrophobicContact CB-CG 4.38Å; E59-M132 HydrophobicContact CG-CG 4.27Å; E59-M132 WeakPolarHBondContact OE2-CB 3.31Å; E59-M132 WeakPolarHBondContact OE2-CE 3.34Å; F128-M132 HydrophobicContact CD1-CG 3.83Å; F128-M132 HydrophobicContact CE1-CG 3.5Å; F128-M132 VanDerWaalsContact CE1-CG 3.5Å; F128-M132 HydrophobicContact CE1-SD 4.08Å; F128-M132 HydrophobicContact CZ-CG 4.1Å; F128-M132 HydrophobicContact CZ-SD 4.17Å; F128-M132 WeakPolarHBondContact O-CG 3.41Å; F128-M132 PolarHBondContact O-N 2.98Å; S129-M132 PolarHBondContact O-N 3.23Å; T130-M132 VanDerWaalsContact C-N 3.32Å; T130-M132 PolarHBondContact O-N 3.46Å; M132-V134 VanDerWaalsContact C-N 3.3Å; M132-V134 PolarHBondContact O-N 2.79Å; M132-H135 WeakPolarHBondContact O-CB 3.48Å; M132-H135 PolarHBondContact O-N 3.38Å; M132-H135 VanDerWaalsContact O-N 3.15Å; M132-R136 WeakPolarHBondContact O-CG 3.38Å; M132-R136 PolarHBondContact O-N 2.89Å
133S86.8Confident88Confident16 Ų1633 Ų3311%0.11219%0.192CC..Hα-helixtrans-56.1-45.7172.8-82.30000111.2S129 T130 H135 R136 G137 E138S129-S133 PolarHBondContact O-N 3.45Å; T130-S133 PolarHBondContact O-N 2.84Å; S133-H135 PolarHBondContact O-N 3.29Å; S133-R136 PolarHBondContact O-N 3.25Å; S133-G137 PolarHBondContact O-N 3.33Å; S133-E138 WeakPolarHBondContact CB-OE2 3.43Å; S133-E138 WeakPolarHBondContact O-CB 3.31Å; S133-E138 PolarHBondContact O-N 3.29Å; S133-E138 PolarHBondContact OG-OE2 2.92Å
134V86.6Confident88Confident58 Ų5833 Ų3335%0.35219%0.186SC..Hα-helixtrans-69.6-35.2178-175.30000112.2P31 V32 T130 M131 M132 R136 G137P31-V134 HydrophobicContact CB-CB 4.48Å; P31-V134 HydrophobicContact CB-CG1 4.01Å; P31-V134 HydrophobicContact CG-CB 4.32Å; P31-V134 HydrophobicContact CG-CG1 4.38Å; V32-V134 HydrophobicContact CG2-CB 3.9Å; V32-V134 HydrophobicContact CG2-CG1 3.72Å; V32-V134 HydrophobicContact CG2-CG2 3.69Å; T130-V134 WeakPolarHBondContact O-CG2 3.35Å; T130-V134 PolarHBondContact O-N 3.39Å; M131-V134 PolarHBondContact O-N 2.83Å; M132-V134 VanDerWaalsContact C-N 3.3Å; M132-V134 PolarHBondContact O-N 2.79Å; V134-R136 PolarHBondContact O-N 3.19Å; V134-G137 WeakPolarHBondContact O-CA 3.31Å; V134-G137 PolarHBondContact O-N 2.91Å
135H86.5Confident87.9Confident98 Ų9833.3 Ų33.345%0.45419%0.189SC..Hα-helixtrans-60.8-33.7173.8-177.6-99000112.6P31 Y46 M131 M132 S133 G137P31-H135 HydrophobicContact CG-CB 4.14Å; Y46-H135 PolarHBondContact OH-CD2 3.11Å; M131-H135 WeakPolarHBondContact O-CB 3.21Å; M131-H135 PolarHBondContact O-N 2.95Å; M132-H135 WeakPolarHBondContact O-CB 3.48Å; M132-H135 PolarHBondContact O-N 3.38Å; M132-H135 VanDerWaalsContact O-N 3.15Å; S133-H135 PolarHBondContact O-N 3.29Å; H135-G137 PolarHBondContact O-N 2.87Å
136R85.3Confident87.7Confident102 Ų10233.7 Ų33.739%0.38519%0.193SC..THydrogen-bonded Turntrans-77.5-6.6173-66.3175.9-173.7-178.53.3113.5E56 E59 M132 S133 V134 E138E56-R136 IonicContact OE1-CZ 3.71Å; E56-R136 IonicContact OE1-NH2 2.82Å; E56-R136 PolarHBondContact OE1-NH2 2.87Å; E56-R136 IonicContact OE2-CZ 3.54Å; E56-R136 IonicContact OE2-NE 2.92Å; E56-R136 IonicContact OE2-NH2 2.7Å; E56-R136 PolarHBondContact OE2-NH2 2.8Å; E59-R136 IonicContact OE1-NH2 3.69Å; E59-R136 IonicContact OE2-CZ 3.99Å; E59-R136 IonicContact OE2-NH2 3.65Å; E59-R136 PolarHBondContact OE2-NH2 2.94Å; M132-R136 WeakPolarHBondContact O-CG 3.38Å; M132-R136 PolarHBondContact O-N 2.89Å; S133-R136 PolarHBondContact O-N 3.25Å; V134-R136 PolarHBondContact O-N 3.19Å; R136-E138 VanDerWaalsContact C-N 3.33Å; R136-E138 HydrophobicContact CB-CG 4.12Å; R136-E138 IonicContact NH1-OE1 3.93Å
137G83.3Confident87.4Confident18 Ų1834 Ų3419%0.18620%0.195CC..THydrogen-bonded Turntrans76.619.1-173.400000113.6S133 V134 H135 Q169 V170S133-G137 PolarHBondContact O-N 3.33Å; V134-G137 WeakPolarHBondContact O-CA 3.31Å; V134-G137 PolarHBondContact O-N 2.91Å; H135-G137 PolarHBondContact O-N 2.87Å; G137-Q169 CarbonylContact O-C 3.58Å; G137-Q169 WeakPolarHBondContact O-CA 3.43Å; G137-Q169 WeakPolarHBondContact O-CB 3.34Å; G137-V170 PolarHBondContact O-N 3Å
138E84.7Confident87Confident42 Ų4238.8 Ų38.820%0.19623%0.225CC..EExtended strand (participates in β ladder)trans-73.4127.9175.6-63.5174-173.500110.5S133 R136 V170S133-E138 WeakPolarHBondContact CB-OE2 3.43Å; S133-E138 WeakPolarHBondContact O-CB 3.31Å; S133-E138 PolarHBondContact O-N 3.29Å; S133-E138 PolarHBondContact OG-OE2 2.92Å; R136-E138 VanDerWaalsContact C-N 3.33Å; R136-E138 HydrophobicContact CB-CG 4.12Å; R136-E138 IonicContact NH1-OE1 3.93Å; E138-V170 CarbonylContact C-O 3.51Å; E138-V170 VanDerWaalsContact CA-O 3.27Å; E138-V170 WeakPolarHBondContact CA-O 3.26Å
139V82.6Confident86.4Confident24 Ų2441 Ų4115%0.14524%0.237CC..EExtended strand (participates in β ladder)trans-112.3117.1174.2-178.80000109.4C141 L165 Q169 V170 K172 I189V139-C141 PolarHBondContact O-N 3.01Å; V139-L165 HydrophobicContact CB-CD2 3.81Å; V139-L165 HydrophobicContact CG1-CD2 3.89Å; V139-L165 HydrophobicContact CG2-CD2 3.96Å; V139-Q169 HydrophobicContact CG2-CB 4.02Å; V139-Q169 HydrophobicContact CG2-CG 4.07Å; V139-V170 PolarHBondContact N-O 3.05Å; V139-K172 PolarHBondContact O-N 3.34Å; V139-I189 HydrophobicContact CG1-CG2 3.78Å
140L83.1Confident86.1Confident80 Ų8046 Ų4642%0.41926%0.256SS..EExtended strand (participates in β ladder)trans-69.1119.4174.6-70.3164.5000109.6K172 G190L140-K172 HydrophobicContact CD2-CB 4.25Å; L140-K172 HydrophobicContact CD2-CD 3.83Å; L140-K172 HydrophobicContact CD2-CG 4.11Å; L140-G190 PolarHBondContact O-N 2.85Å
141C86.2Confident85.8Confident0 Ų051.2 Ų51.20%028%0.276CS..EExtended strand (participates in β ladder)trans-117.3109.2177.8-65.40000109.2V139 L171 K172 L173 E174 R188V139-C141 PolarHBondContact O-N 3.01Å; C141-L171 HydrophobicContact CB-CD1 4.02Å; C141-L171 HydrophobicContact CB-CD2 4.18Å; C141-L171 HydrophobicContact CB-CG 3.99Å; C141-L171 WeakPolarHBondContact SG-CD1 3.24Å; C141-L171 VanDerWaalsContact SG-CG 3.58Å; C141-K172 PolarHBondContact N-O 3.4Å; C141-L173 WeakPolarHBondContact O-CA 3.43Å; C141-E174 PolarHBondContact O-N 3.21Å; C141-R188 CarbonylContact C-O 3.57Å; C141-R188 VanDerWaalsContact CA-O 3.27Å; C141-R188 WeakPolarHBondContact CA-O 3.49Å
142T88.8Confident85.6Confident27 Ų2753.8 Ų53.817%0.16630%0.298CS..EExtended strand (participates in β ladder)trans-94.8119.5175.3-50.50000109.2E174 K176 R188T142-E174 CarbonylContact C-O 3.56Å; T142-E174 WeakPolarHBondContact CA-O 3.21Å; T142-K176 HydrophobicContact CG2-CD 3.75Å; T142-K176 HydrophobicContact CG2-CG 4.16Å; T142-R188 PolarHBondContact N-O 3.14Å; T142-R188 PolarHBondContact O-N 3.44Å
143V88.9Confident85.3Confident0 Ų056 Ų560%031%0.311CS..EExtended strand (participates in β ladder)trans-108.5120.5175.4-177.40000107.8T145 L149 L161 L173 E174 A175 K176 I186 V187V143-T145 HydrophobicContact CG1-CG2 4.09Å; V143-L149 HydrophobicContact CG1-CD1 4.32Å; V143-L161 HydrophobicContact CG2-CD1 4.07Å; V143-L173 HydrophobicContact CG2-CD1 4.25Å; V143-L173 HydrophobicContact CG2-CD2 4.45Å; V143-L173 HydrophobicContact CG2-CG 4.23Å; V143-E174 PolarHBondContact N-O 3Å; V143-A175 CarbonylContact O-C 3.53Å; V143-A175 WeakPolarHBondContact O-CA 3.49Å; V143-K176 PolarHBondContact O-N 3.15Å; V143-I186 CarbonylContact C-O 3.57Å; V143-I186 WeakPolarHBondContact CA-O 3.35Å; V143-V187 HydrophobicContact CG1-CG2 4.4Å; V143-V187 HydrophobicContact CG2-CG1 4.37Å; V143-V187 HydrophobicContact CG2-CG2 4.43Å
144T89.9Confident85.1Confident29 Ų2957 Ų5718%0.17832%0.316CS..EExtended strand (participates in β ladder)trans-109122.8177-47.80000109.9K176 D178 M185 I186T144-K176 CarbonylContact C-O 3.55Å; T144-K176 VanDerWaalsContact CA-O 3.24Å; T144-K176 WeakPolarHBondContact CA-O 3.44Å; T144-K176 HydrophobicContact CG2-CB 4.45Å; T144-D178 HydrophobicContact CG2-CB 3.74Å; T144-M185 WeakPolarHBondContact O-CA 3.33Å; T144-I186 PolarHBondContact N-O 2.93Å; T144-I186 PolarHBondContact O-N 2.7Å
145T89.3Confident85.1Confident9 Ų957.4 Ų57.46%0.05532%0.32CS..EExtended strand (participates in β ladder)trans-125.7156.9-178.652.80000112.3V143 S147 L149 K176 T177 D178 M185V143-T145 HydrophobicContact CG1-CG2 4.09Å; T145-S147 WeakPolarHBondContact CB-O 3.45Å; T145-S147 PolarHBondContact OG1-O 3.47Å; T145-L149 HydrophobicContact CG2-CD1 3.72Å; T145-L149 HydrophobicContact CG2-CD2 3.95Å; T145-L149 HydrophobicContact CG2-CG 3.86Å; T145-K176 PolarHBondContact N-O 3.02Å; T145-T177 CarbonylContact O-C 3.55Å; T145-T177 VanDerWaalsContact O-CA 3.31Å; T145-T177 WeakPolarHBondContact O-CA 3.44Å; T145-D178 PolarHBondContact O-N 3.23Å; T145-M185 HydrophobicContact CG2-CB 4Å
146A87.4Confident85Confident19 Ų1958.7 Ų58.716%0.15733%0.327CS..SBendtrans-71.3-34.7179.500000112.5D178 I181A146-D178 WeakPolarHBondContact CA-O 3.44Å; A146-I181 HydrophobicContact CB-CD1 4.25Å; A146-I181 HydrophobicContact CB-CG1 3.71Å
147S83.8Confident84.9Confident80 Ų8055.1 Ų55.156%0.55932%0.315SS*.SBendtrans-122156.4-178.9-62.20000110T145 L149T145-S147 WeakPolarHBondContact CB-O 3.45Å; T145-S147 PolarHBondContact OG1-O 3.47Å; S147-L149 PolarHBondContact O-N 3.23Å
148P83.4Confident85Confident109 Ų10959 Ų5971%0.70833%0.327SS*.PPolyproline II helixtrans-57136170.825.5-34.1000109.9
149L78.6Confident85Confident48 Ų4861.7 Ų61.725%0.25135%0.346SS..PPolyproline II helixtrans-82.2139.3179.6-74165.5000110.4V143 T145 S147 L154 L157V143-L149 HydrophobicContact CG1-CD1 4.32Å; T145-L149 HydrophobicContact CG2-CD1 3.72Å; T145-L149 HydrophobicContact CG2-CD2 3.95Å; T145-L149 HydrophobicContact CG2-CG 3.86Å; S147-L149 PolarHBondContact O-N 3.23Å; L149-L154 HydrophobicContact CB-CD1 4.33Å; L149-L154 HydrophobicContact CB-CD2 3.86Å; L149-L154 HydrophobicContact CB-CG 3.84Å; L149-L154 HydrophobicContact CD1-CD2 3.58Å; L149-L154 HydrophobicContact CD1-CG 4.44Å; L149-L154 HydrophobicContact CG-CD2 4.36Å; L149-L157 HydrophobicContact CD1-CD1 4.03Å; L149-L157 HydrophobicContact CD2-CD1 4.26Å
150E84.8Confident85Confident144 Ų14464.2 Ų64.267%0.67336%0.362SS*.PPolyproline II helixtrans-78.8150.7172.2-166.7172.5-166.500110.5A152 T153 L154E150-A152 VanDerWaalsContact C-N 3.25Å; E150-A152 PolarHBondContact O-N 3.46Å; E150-T153 PolarHBondContact N-OG1 2.87Å; E150-T153 PolarHBondContact O-N 3.42Å; E150-T153 VanDerWaalsContact O-N 3.1Å; E150-T153 PolarHBondContact O-OG1 3.02Å; E150-L154 PolarHBondContact O-N 3.41Å
151E83.2Confident85Confident169 Ų16960.9 Ų60.979%0.7934%0.344SS*.Hα-helixtrans-58.8-35.5-175.4-62.8-170170.700113.3L154 S155E151-L154 PolarHBondContact O-N 3.44Å; E151-S155 PolarHBondContact O-N 2.89Å
152A84.9Confident84.7Confident55 Ų5567.3 Ų67.346%0.45537%0.372SS..Hα-helixtrans-57.6-52.9174.800000110.9E150 L154 S155 E156E150-A152 VanDerWaalsContact C-N 3.25Å; E150-A152 PolarHBondContact O-N 3.46Å; A152-L154 VanDerWaalsContact C-N 3.3Å; A152-L154 PolarHBondContact O-N 3.39Å; A152-S155 PolarHBondContact O-N 3.37Å; A152-S155 VanDerWaalsContact O-N 3.12Å; A152-S155 PolarHBondContact O-OG 3.09Å; A152-E156 PolarHBondContact O-N 3.35Å
153T82.9Confident84.2Confident49 Ų4970.5 Ų70.530%0.30140%0.396SS..Hα-helixtrans-63.6-34.2178.663.80000112.7E150 S155 L157E150-T153 PolarHBondContact N-OG1 2.87Å; E150-T153 PolarHBondContact O-N 3.42Å; E150-T153 VanDerWaalsContact O-N 3.1Å; E150-T153 PolarHBondContact O-OG1 3.02Å; T153-S155 VanDerWaalsContact C-N 3.33Å; T153-S155 PolarHBondContact O-N 2.98Å; T153-L157 VanDerWaalsContact O-CB 3.31Å; T153-L157 WeakPolarHBondContact O-CB 3.41Å; T153-L157 WeakPolarHBondContact O-CG 3.27Å; T153-L157 PolarHBondContact O-N 3.33Å
154L83.9Confident83.5Confident38 Ų3876.7 Ų76.720%0.19942%0.423CS..Hα-helixtrans-65.2-36.3175.2-74.4172.5000112.6L149 E150 E151 A152 K158 L173L149-L154 HydrophobicContact CB-CD1 4.33Å; L149-L154 HydrophobicContact CB-CD2 3.86Å; L149-L154 HydrophobicContact CB-CG 3.84Å; L149-L154 HydrophobicContact CD1-CD2 3.58Å; L149-L154 HydrophobicContact CD1-CG 4.44Å; L149-L154 HydrophobicContact CG-CD2 4.36Å; E150-L154 PolarHBondContact O-N 3.41Å; E151-L154 PolarHBondContact O-N 3.44Å; A152-L154 VanDerWaalsContact C-N 3.3Å; A152-L154 PolarHBondContact O-N 3.39Å; L154-K158 WeakPolarHBondContact O-CB 3.26Å; L154-K158 VanDerWaalsContact O-CG 3.28Å; L154-K158 WeakPolarHBondContact O-CG 3.4Å; L154-K158 PolarHBondContact O-N 3.33Å; L154-L173 HydrophobicContact CD2-CD2 4.26Å
155S85Confident82.8Confident65 Ų6576.5 Ų76.546%0.45542%0.42SS..Hα-helixtrans-69.7-41.5179.476.20000112.1E151 A152 T153 K158 T159E151-S155 PolarHBondContact O-N 2.89Å; A152-S155 PolarHBondContact O-N 3.37Å; A152-S155 VanDerWaalsContact O-N 3.12Å; A152-S155 PolarHBondContact O-OG 3.09Å; T153-S155 VanDerWaalsContact C-N 3.33Å; T153-S155 PolarHBondContact O-N 2.98Å; S155-K158 PolarHBondContact O-N 3.28Å; S155-T159 PolarHBondContact O-N 2.81Å; S155-T159 VanDerWaalsContact O-N 3.13Å; S155-T159 PolarHBondContact O-OG1 3.02Å
156E85.4Confident82Confident126 Ų12679.6 Ų79.659%0.58944%0.442SS*.Hα-helixtrans-64.5-46.9174.1-67.1177.9-179.100110.7A152 K158 T159 V160A152-E156 PolarHBondContact O-N 3.35Å; E156-K158 VanDerWaalsContact C-N 3.32Å; E156-K158 PolarHBondContact O-N 2.95Å; E156-T159 WeakPolarHBondContact O-CB 3.25Å; E156-T159 PolarHBondContact O-N 3.09Å; E156-V160 WeakPolarHBondContact O-CG2 3.39Å; E156-V160 PolarHBondContact O-N 3.45Å
157L83.6Confident81Confident27 Ų2788.4 Ų88.414%0.14148%0.48CS..Hα-helixtrans-58.7-42.7176.1-76.1173.2000111.8L149 T153 T159 V160 L161 M185L149-L157 HydrophobicContact CD1-CD1 4.03Å; L149-L157 HydrophobicContact CD2-CD1 4.26Å; T153-L157 VanDerWaalsContact O-CB 3.31Å; T153-L157 WeakPolarHBondContact O-CB 3.41Å; T153-L157 WeakPolarHBondContact O-CG 3.27Å; T153-L157 PolarHBondContact O-N 3.33Å; L157-T159 VanDerWaalsContact C-N 3.26Å; L157-T159 PolarHBondContact O-N 3.13Å; L157-V160 PolarHBondContact O-N 3.33Å; L157-L161 VanDerWaalsContact O-CB 3.25Å; L157-L161 WeakPolarHBondContact O-CB 3.31Å; L157-L161 WeakPolarHBondContact O-CG 3.38Å; L157-L161 PolarHBondContact O-N 3.21Å; L157-M185 HydrophobicContact CD2-CE 4.07Å; L157-M185 HydrophobicContact CD2-SD 3.96Å
158K83.9Confident80.2Confident100 Ų10088.2 Ų88.244%0.43549%0.491SS..Hα-helixtrans-60.4-38.4175-78.2174.4-176.4175.60111.9L154 S155 E156 K162 L173L154-K158 WeakPolarHBondContact O-CB 3.26Å; L154-K158 VanDerWaalsContact O-CG 3.28Å; L154-K158 WeakPolarHBondContact O-CG 3.4Å; L154-K158 PolarHBondContact O-N 3.33Å; S155-K158 PolarHBondContact O-N 3.28Å; E156-K158 VanDerWaalsContact C-N 3.32Å; E156-K158 PolarHBondContact O-N 2.95Å; K158-K162 WeakPolarHBondContact O-CB 3.49Å; K158-K162 WeakPolarHBondContact O-CG 3.48Å; K158-K162 PolarHBondContact O-N 3.39Å; K158-L173 HydrophobicContact CG-CD1 3.83Å
159T84.8Confident79.8Confident98 Ų9886.8 Ų86.860%0.60148%0.475SS*.Hα-helixtrans-69.2-45.3-179.9-54.50000111.2S155 E156 L157 K162 S163S155-T159 PolarHBondContact O-N 2.81Å; S155-T159 VanDerWaalsContact O-N 3.13Å; S155-T159 PolarHBondContact O-OG1 3.02Å; E156-T159 WeakPolarHBondContact O-CB 3.25Å; E156-T159 PolarHBondContact O-N 3.09Å; L157-T159 VanDerWaalsContact C-N 3.26Å; L157-T159 PolarHBondContact O-N 3.13Å; T159-K162 PolarHBondContact O-N 3.34Å; T159-S163 PolarHBondContact O-N 3.03Å
160V84.1Confident79.8Confident77 Ų7788.8 Ų88.847%0.46749%0.488SS..Hα-helixtrans-64.9-47.2176.4173.80000110.7E156 L157 K162 S163 F164E156-V160 WeakPolarHBondContact O-CG2 3.39Å; E156-V160 PolarHBondContact O-N 3.45Å; L157-V160 PolarHBondContact O-N 3.33Å; V160-K162 VanDerWaalsContact C-N 3.25Å; V160-K162 PolarHBondContact O-N 3.33Å; V160-S163 PolarHBondContact O-N 3Å; V160-S163 PolarHBondContact O-OG 3.09Å; V160-F164 HydrophobicContact CG1-CD2 4.15Å; V160-F164 HydrophobicContact CG1-CE2 3.62Å; V160-F164 WeakPolarHBondContact O-CD2 3.41Å
161L81.5Confident79.5Confident9 Ų983.1 Ų83.15%0.04746%0.463CS..Hα-helixtrans-66.5-27.8-179.1-66170.8000112.9V143 L157 S163 F164 L171 L173 V187 I189V143-L161 HydrophobicContact CG2-CD1 4.07Å; L157-L161 VanDerWaalsContact O-CB 3.25Å; L157-L161 WeakPolarHBondContact O-CB 3.31Å; L157-L161 WeakPolarHBondContact O-CG 3.38Å; L157-L161 PolarHBondContact O-N 3.21Å; L161-S163 VanDerWaalsContact C-N 3.31Å; L161-S163 PolarHBondContact O-N 2.92Å; L161-F164 PolarHBondContact O-N 2.79Å; L161-L171 HydrophobicContact CB-CD1 3.42Å; L161-L171 VanDerWaalsContact CB-CD1 3.42Å; L161-L171 HydrophobicContact CD1-CD1 4.39Å; L161-L173 HydrophobicContact CD1-CD1 3.99Å; L161-V187 HydrophobicContact CD2-CG1 3.67Å; L161-I189 HydrophobicContact CD2-CD1 3.89Å
162K80.8Confident79.5Confident136 Ų13679.9 Ų79.959%0.59145%0.446SS*.Hα-helixtrans-63.1-34171.5-82.6173.5-179.7-176.30112.8K158 T159 V160 F164 L165K158-K162 WeakPolarHBondContact O-CB 3.49Å; K158-K162 WeakPolarHBondContact O-CG 3.48Å; K158-K162 PolarHBondContact O-N 3.39Å; T159-K162 PolarHBondContact O-N 3.34Å; V160-K162 VanDerWaalsContact C-N 3.25Å; V160-K162 PolarHBondContact O-N 3.33Å; K162-F164 VanDerWaalsContact C-N 3.28Å; K162-F164 PolarHBondContact O-N 3.48Å; K162-L165 PolarHBondContact O-N 2.96Å
163S79.1Confident79.5Confident94 Ų9479.1 Ų79.166%0.65743%0.434SS*.Hα-helixtrans-72.8-23178.171.80000113T159 V160 L161 L165T159-S163 PolarHBondContact O-N 3.03Å; V160-S163 PolarHBondContact O-N 3Å; V160-S163 PolarHBondContact O-OG 3.09Å; L161-S163 VanDerWaalsContact C-N 3.31Å; L161-S163 PolarHBondContact O-N 2.92Å; S163-L165 VanDerWaalsContact C-N 3.32Å
164F73.4Confident79.7Confident130 Ų13080.6 Ų80.657%0.5744%0.438SS*.THydrogen-bonded Turntrans-80.9-9.5174.5-71.4-76.1000114.1V160 L161 K162 I189V160-F164 HydrophobicContact CG1-CD2 4.15Å; V160-F164 HydrophobicContact CG1-CE2 3.62Å; V160-F164 WeakPolarHBondContact O-CD2 3.41Å; L161-F164 PolarHBondContact O-N 2.79Å; K162-F164 VanDerWaalsContact C-N 3.28Å; K162-F164 PolarHBondContact O-N 3.48Å; F164-I189 HydrophobicContact CB-CD1 4.38Å
165L75.9Confident79.8Confident24 Ų2481.6 Ų81.613%0.12645%0.451CS..SBendtrans-86.6153177.8-71.7172.2000111.9V139 K162 S163 Q169 L171 I189V139-L165 HydrophobicContact CB-CD2 3.81Å; V139-L165 HydrophobicContact CG1-CD2 3.89Å; V139-L165 HydrophobicContact CG2-CD2 3.96Å; K162-L165 PolarHBondContact O-N 2.96Å; S163-L165 VanDerWaalsContact C-N 3.32Å; L165-Q169 HydrophobicContact CB-CB 4.33Å; L165-Q169 HydrophobicContact CD1-CB 4.49Å; L165-Q169 HydrophobicContact CD2-CB 4.46Å; L165-L171 HydrophobicContact CD1-CB 3.63Å; L165-L171 HydrophobicContact CD1-CD1 3.75Å; L165-L171 HydrophobicContact CD1-CG 4.18Å; L165-L171 HydrophobicContact CG-CD1 4.39Å; L165-I189 HydrophobicContact CD2-CG2 3.99Å
166S71.6Confident80Confident74 Ų7483.9 Ų83.952%0.51745%0.453SS..PPolyproline II helixtrans-71.7153.7172.6-580000110.9G168 Q169S166-G168 PolarHBondContact O-N 3.44Å; S166-Q169 PolarHBondContact O-N 3.19Å
167Q67.1Low80.2Confident205 Ų20581.8 Ų81.896%0.95845%0.449SS*.THydrogen-bonded Turntrans-51.6127.3179.9-74.9176.8-1800111.5
168G65.5Low80.4Confident75 Ų7583.4 Ų83.477%0.77346%0.458SS*.THydrogen-bonded Turntrans910.8176.600000116.4S166S166-G168 PolarHBondContact O-N 3.44Å
169Q76.3Confident80.4Confident80 Ų8083.2 Ų83.237%0.37447%0.467SS..PPolyproline II helixtrans-89.7138.5177.5-69.6176-7.200112.5G137 V139 L165 S166G137-Q169 CarbonylContact O-C 3.58Å; G137-Q169 WeakPolarHBondContact O-CA 3.43Å; G137-Q169 WeakPolarHBondContact O-CB 3.34Å; V139-Q169 HydrophobicContact CG2-CB 4.02Å; V139-Q169 HydrophobicContact CG2-CG 4.07Å; L165-Q169 HydrophobicContact CB-CB 4.33Å; L165-Q169 HydrophobicContact CD1-CB 4.49Å; L165-Q169 HydrophobicContact CD2-CB 4.46Å; S166-Q169 PolarHBondContact O-N 3.19Å
170V77.7Confident80.6Confident89 Ų8981.7 Ų81.754%0.53946%0.46SS..EExtended strand (participates in β ladder)trans-101125.6177.7-177.90000109.4G137 E138 V139G137-V170 PolarHBondContact O-N 3Å; E138-V170 CarbonylContact C-O 3.51Å; E138-V170 VanDerWaalsContact CA-O 3.27Å; E138-V170 WeakPolarHBondContact CA-O 3.26Å; V139-V170 PolarHBondContact N-O 3.05Å
171L79.4Confident80.6Confident25 Ų2578.3 Ų78.313%0.13144%0.439CS..EExtended strand (participates in β ladder)trans-80.5123-179.2-167.7134.1000111.5C141 L161 L165 L173C141-L171 HydrophobicContact CB-CD1 4.02Å; C141-L171 HydrophobicContact CB-CD2 4.18Å; C141-L171 HydrophobicContact CB-CG 3.99Å; C141-L171 WeakPolarHBondContact SG-CD1 3.24Å; C141-L171 VanDerWaalsContact SG-CG 3.58Å; L161-L171 HydrophobicContact CB-CD1 3.42Å; L161-L171 VanDerWaalsContact CB-CD1 3.42Å; L161-L171 HydrophobicContact CD1-CD1 4.39Å; L165-L171 HydrophobicContact CD1-CB 3.63Å; L165-L171 HydrophobicContact CD1-CD1 3.75Å; L165-L171 HydrophobicContact CD1-CG 4.18Å; L165-L171 HydrophobicContact CG-CD1 4.39Å; L171-L173 HydrophobicContact CD2-CB 3.63Å; L171-L173 HydrophobicContact CD2-CD1 3.98Å; L171-L173 HydrophobicContact CD2-CG 4.23Å
172K83.3Confident80.6Confident101 Ų10185.2 Ų85.244%0.43947%0.473SS..EExtended strand (participates in β ladder)trans-104.8105.5168.3-172.4169.4178.5178.70109V139 L140 C141V139-K172 PolarHBondContact O-N 3.34Å; L140-K172 HydrophobicContact CD2-CB 4.25Å; L140-K172 HydrophobicContact CD2-CD 3.83Å; L140-K172 HydrophobicContact CD2-CG 4.11Å; C141-K172 PolarHBondContact N-O 3.4Å
173L83.4Confident80.8Confident39 Ų3979.4 Ų79.420%0.20445%0.452CS..EExtended strand (participates in β ladder)trans-89.4124.9-174.8-160.6145.6000111C141 V143 L154 K158 L161 L171 A175C141-L173 WeakPolarHBondContact O-CA 3.43Å; V143-L173 HydrophobicContact CG2-CD1 4.25Å; V143-L173 HydrophobicContact CG2-CD2 4.45Å; V143-L173 HydrophobicContact CG2-CG 4.23Å; L154-L173 HydrophobicContact CD2-CD2 4.26Å; K158-L173 HydrophobicContact CG-CD1 3.83Å; L161-L173 HydrophobicContact CD1-CD1 3.99Å; L171-L173 HydrophobicContact CD2-CB 3.63Å; L171-L173 HydrophobicContact CD2-CD1 3.98Å; L171-L173 HydrophobicContact CD2-CG 4.23Å; L173-A175 HydrophobicContact CD2-CB 4.07Å
174E87.1Confident81.1Confident81 Ų8177 Ų7738%0.37944%0.442SS..EExtended strand (participates in β ladder)trans-113.3111.1168.5-67.9-176.3179.100108.9C141 T142 V143C141-E174 PolarHBondContact O-N 3.21Å; T142-E174 CarbonylContact C-O 3.56Å; T142-E174 WeakPolarHBondContact CA-O 3.21Å; V143-E174 PolarHBondContact N-O 3Å
175A87.5Confident81.8Confident58 Ų5873.7 Ų73.748%0.47943%0.429SS..EExtended strand (participates in β ladder)trans-89129.4175.400000110V143 L173V143-A175 CarbonylContact O-C 3.53Å; V143-A175 WeakPolarHBondContact O-CA 3.49Å; L173-A175 HydrophobicContact CD2-CB 4.07Å
176K88.5Confident82.5Confident113 Ų11373.7 Ų73.749%0.49143%0.429SS..EExtended strand (participates in β ladder)trans-123.7141.7175.3-66.1-176-178.8175.50109.1T142 V143 T144 T145T142-K176 HydrophobicContact CG2-CD 3.75Å; T142-K176 HydrophobicContact CG2-CG 4.16Å; V143-K176 PolarHBondContact O-N 3.15Å; T144-K176 CarbonylContact C-O 3.55Å; T144-K176 VanDerWaalsContact CA-O 3.24Å; T144-K176 WeakPolarHBondContact CA-O 3.44Å; T144-K176 HydrophobicContact CG2-CB 4.45Å; T145-K176 PolarHBondContact N-O 3.02Å
177T89.5Confident83.3Confident82 Ų8270.7 Ų70.750%0.50341%0.407SS..EExtended strand (participates in β ladder)trans-108.8122.7177.2-47.10000109.2T145T145-T177 CarbonylContact O-C 3.55Å; T145-T177 VanDerWaalsContact O-CA 3.31Å; T145-T177 WeakPolarHBondContact O-CA 3.44Å
178D87.6Confident84.3Confident61 Ų6168 Ų6833%0.32639%0.388SS..  trans-131.4105.1174-176.7-1.2000109.8T144 T145 A146 S180 I181T144-D178 HydrophobicContact CG2-CB 3.74Å; T145-D178 PolarHBondContact O-N 3.23Å; A146-D178 WeakPolarHBondContact CA-O 3.44Å; D178-S180 PolarHBondContact O-N 2.65Å; D178-S180 VanDerWaalsContact O-N 3.11Å; D178-S180 WeakPolarHBondContact OD1-CB 3.37Å; D178-S180 PolarHBondContact OD1-N 3.49Å; D178-S180 PolarHBondContact OD1-OG 2.98Å; D178-I181 WeakPolarHBondContact O-CG1 3.38Å; D178-I181 PolarHBondContact O-N 3.39Å
179P85.4Confident85.3Confident97 Ų9765.4 Ų65.463%0.6336%0.357SS*.G310 helixtrans-65.2-15.1-178.927.4-34.2000113I181 M182P179-I181 PolarHBondContact O-N 3.31Å; P179-I181 VanDerWaalsContact O-N 3.16Å; P179-M182 PolarHBondContact O-N 3.04Å
180S87.1Confident85.5Confident65 Ų6563.6 Ų63.646%0.45536%0.359SS..G310 helixtrans-64.7-19.5-178.2-48.50000113.8D178 M182D178-S180 PolarHBondContact O-N 2.65Å; D178-S180 VanDerWaalsContact O-N 3.11Å; D178-S180 WeakPolarHBondContact OD1-CB 3.37Å; D178-S180 PolarHBondContact OD1-N 3.49Å; D178-S180 PolarHBondContact OD1-OG 2.98Å; S180-M182 VanDerWaalsContact C-N 3.27Å; S180-M182 PolarHBondContact O-N 3.08Å
181I84.6Confident85.7Confident7 Ų768.7 Ų68.74%0.03638%0.377CS..G310 helixtrans-81.7-7.4-177.874.3-177.1000113A146 D178 P179 G183 I186 K199A146-I181 HydrophobicContact CB-CD1 4.25Å; A146-I181 HydrophobicContact CB-CG1 3.71Å; D178-I181 WeakPolarHBondContact O-CG1 3.38Å; D178-I181 PolarHBondContact O-N 3.39Å; P179-I181 PolarHBondContact O-N 3.31Å; P179-I181 VanDerWaalsContact O-N 3.16Å; I181-G183 PolarHBondContact O-N 3.43Å; I181-I186 HydrophobicContact CG2-CD1 3.93Å; I181-K199 PolarHBondContact O-N 3.2Å
182M81.5Confident86Confident153 Ų15373.9 Ų73.975%0.75440%0.398SS*.  trans58.6-14.1178.9-57-178.475.700116P179 S180P179-M182 PolarHBondContact O-N 3.04Å; S180-M182 VanDerWaalsContact C-N 3.27Å; S180-M182 PolarHBondContact O-N 3.08Å
183G84.6Confident86.3Confident15 Ų1575.1 Ų75.116%0.15540%0.401CS..SBendtrans164.6168.6176.200000112.2I181 S197 V198I181-G183 PolarHBondContact O-N 3.43Å; G183-S197 WeakPolarHBondContact O-CA 3.34Å; G183-V198 PolarHBondContact O-N 2.87Å
184G86.7Confident86.5Confident42 Ų4277 Ų7743%0.43341%0.414SS..SBendtrans78.9-162-176.800000113.1
185M87.8Confident86.7Confident62 Ų6275 Ų7531%0.30541%0.406SS..EExtended strand (participates in β ladder)trans-141.9150.6-177.467-177.870.900111.9T144 T145 L157 V187 M196 S197T144-M185 WeakPolarHBondContact O-CA 3.33Å; T145-M185 HydrophobicContact CG2-CB 4Å; L157-M185 HydrophobicContact CD2-CE 4.07Å; L157-M185 HydrophobicContact CD2-SD 3.96Å; M185-V187 HydrophobicContact CG-CG2 4.26Å; M185-V187 HydrophobicContact SD-CG2 4.12Å; M185-M196 CarbonylContact O-C 3.5Å; M185-M196 WeakPolarHBondContact O-CA 3.42Å; M185-M196 PolarHBondContact O-N 3.27Å; M185-S197 PolarHBondContact O-N 2.88Å
186I89.9Confident86.7Confident23 Ų2377.5 Ų77.512%0.11841%0.409CS..EExtended strand (participates in β ladder)trans-119.2120.6171.4-58.2173.6000107V143 T144 I181 Y193V143-I186 CarbonylContact C-O 3.57Å; V143-I186 WeakPolarHBondContact CA-O 3.35Å; T144-I186 PolarHBondContact N-O 2.93Å; T144-I186 PolarHBondContact O-N 2.7Å; I181-I186 HydrophobicContact CG2-CD1 3.93Å; I186-Y193 HydrophobicContact CG2-CD2 4.27Å; I186-Y193 HydrophobicContact CG2-CE2 3.28Å; I186-Y193 VanDerWaalsContact CG2-CZ 3.47Å; I186-Y193 VanDerWaalsContact CG2-OH 3.22Å; I186-Y193 WeakPolarHBondContact CG2-OH 3.36Å
187V89.6Confident86.8Confident11 Ų1172.2 Ų72.27%0.06739%0.386CS..EExtended strand (participates in β ladder)trans-114.1125.2-179-175.80000109V143 L161 M185 I189 V194V143-V187 HydrophobicContact CG1-CG2 4.4Å; V143-V187 HydrophobicContact CG2-CG1 4.37Å; V143-V187 HydrophobicContact CG2-CG2 4.43Å; L161-V187 HydrophobicContact CD2-CG1 3.67Å; M185-V187 HydrophobicContact CG-CG2 4.26Å; M185-V187 HydrophobicContact SD-CG2 4.12Å; V187-I189 HydrophobicContact CG1-CD1 4.18Å; V187-I189 HydrophobicContact CG1-CG1 3.82Å; V187-V194 PolarHBondContact N-O 2.91Å; V187-V194 PolarHBondContact O-N 3.09Å
188R88.2Confident86.9Confident149 Ų14971.1 Ų71.156%0.56238%0.379SS*.EExtended strand (participates in β ladder)trans-116.7114.9173.5-172175.3-173.4152.92.5109.6C141 T142 K192 Y193C141-R188 CarbonylContact C-O 3.57Å; C141-R188 VanDerWaalsContact CA-O 3.27Å; C141-R188 WeakPolarHBondContact CA-O 3.49Å; T142-R188 PolarHBondContact N-O 3.14Å; T142-R188 PolarHBondContact O-N 3.44Å; R188-K192 WeakPolarHBondContact CA-O 3.26Å; R188-Y193 HydrophobicContact CB-CD2 4.36Å; R188-Y193 HydrophobicContact CG-CD2 4.48Å
189I86.3Confident87Confident21 Ų2172.5 Ų72.511%0.10838%0.383CS..EExtended strand (participates in β ladder)trans-114.395.4179.8-54.2174.2000107.5V139 L161 F164 L165 V187 E191 K192V139-I189 HydrophobicContact CG1-CG2 3.78Å; L161-I189 HydrophobicContact CD2-CD1 3.89Å; F164-I189 HydrophobicContact CB-CD1 4.38Å; L165-I189 HydrophobicContact CD2-CG2 3.99Å; V187-I189 HydrophobicContact CG1-CD1 4.18Å; V187-I189 HydrophobicContact CG1-CG1 3.82Å; I189-E191 PolarHBondContact O-N 3.22Å; I189-K192 HydrophobicContact CB-CB 4.42Å; I189-K192 PolarHBondContact N-O 2.98Å; I189-K192 PolarHBondContact O-N 3.45Å
190G80.4Confident87.3Confident41 Ų4169.4 Ų69.442%0.42336%0.362SS..THydrogen-bonded Turntrans53.8-109.6-171.700000111.9L140L140-G190 PolarHBondContact O-N 2.85Å
191E82.4Confident87.5Confident197 Ų19771.8 Ų71.892%0.92136%0.364SS*.THydrogen-bonded Turntrans-89.1-19.4177.5-62.7-176.5169.800114I189I189-E191 PolarHBondContact O-N 3.22Å
192K85.3Confident87.9Confident133 Ų13376.2 Ų76.258%0.57839%0.386SS*.EExtended strand (participates in β ladder)trans-78.7131.3179.6-61.7179.5-175.6177.40109.4R188 I189R188-K192 WeakPolarHBondContact CA-O 3.26Å; I189-K192 HydrophobicContact CB-CB 4.42Å; I189-K192 PolarHBondContact N-O 2.98Å; I189-K192 PolarHBondContact O-N 3.45Å
193Y88.4Confident88.4Confident128 Ų12873.2 Ų73.250%0.50237%0.371SS..EExtended strand (participates in β ladder)trans-124.9123.9179.8-179.3-98.6000109.8I186 R188 D195I186-Y193 HydrophobicContact CG2-CD2 4.27Å; I186-Y193 HydrophobicContact CG2-CE2 3.28Å; I186-Y193 VanDerWaalsContact CG2-CZ 3.47Å; I186-Y193 VanDerWaalsContact CG2-OH 3.22Å; I186-Y193 WeakPolarHBondContact CG2-OH 3.36Å; R188-Y193 HydrophobicContact CB-CD2 4.36Å; R188-Y193 HydrophobicContact CG-CD2 4.48Å; Y193-D195 HydrophobicContact CD1-CB 4.38Å; Y193-D195 HydrophobicContact CE1-CB 3.54Å
194V88.4Confident88.7Confident77 Ų7779 Ų7947%0.46739%0.391SS..EExtended strand (participates in β ladder)trans-124.4114178.4-176.20000108.3V187 M196V187-V194 PolarHBondContact N-O 2.91Å; V187-V194 PolarHBondContact O-N 3.09Å; V194-M196 HydrophobicContact CG1-CG 4.23Å
195D90.3Very high89Confident40 Ų4082.5 Ų82.521%0.21440%0.4CS..EExtended strand (participates in β ladder)trans-110.3113.6178.7-175.5-6.4000110.1Y193 S197 T200Y193-D195 HydrophobicContact CD1-CB 4.38Å; Y193-D195 HydrophobicContact CE1-CB 3.54Å; D195-S197 WeakPolarHBondContact OD1-CB 3.46Å; D195-S197 PolarHBondContact OD1-N 3.46Å; D195-S197 PolarHBondContact OD1-OG 2.71Å; D195-T200 WeakPolarHBondContact OD2-CB 3.38Å; D195-T200 PolarHBondContact OD2-OG1 2.82Å
196M87.9Confident89.3Confident111 Ų11180.8 Ų80.855%0.54740%0.398SS..  trans-116.622.2173-61.3-166.511700111.7M185 V194M185-M196 CarbonylContact O-C 3.5Å; M185-M196 WeakPolarHBondContact O-CA 3.42Å; M185-M196 PolarHBondContact O-N 3.27Å; V194-M196 HydrophobicContact CG1-CG 4.23Å
197S91.4Very high89.5Confident1 Ų186.9 Ų86.91%0.00742%0.419CS..  trans-67.1146.5178.666.50000112.4G183 M185 D195 K199 T200 K201G183-S197 WeakPolarHBondContact O-CA 3.34Å; M185-S197 PolarHBondContact O-N 2.88Å; D195-S197 WeakPolarHBondContact OD1-CB 3.46Å; D195-S197 PolarHBondContact OD1-N 3.46Å; D195-S197 PolarHBondContact OD1-OG 2.71Å; S197-K199 VanDerWaalsContact C-N 3.3Å; S197-K199 PolarHBondContact O-N 3.45Å; S197-T200 PolarHBondContact O-N 3.05Å; S197-T200 WeakPolarHBondContact OG-CB 3.44Å; S197-T200 PolarHBondContact OG-N 3.5Å; S197-T200 PolarHBondContact OG-OG1 3.11Å; S197-T200 VanDerWaalsContact OG-OG1 3.05Å; S197-K201 WeakPolarHBondContact O-CG 3.45Å; S197-K201 PolarHBondContact O-N 2.91Å
198V91.2Very high89.6Confident59 Ų5988.8 Ų88.836%0.35844%0.436SS..Hα-helixtrans-64.8-39.5177.41760000110.2G183 T200 K201 I202G183-V198 PolarHBondContact O-N 2.87Å; V198-T200 PolarHBondContact O-N 3.26Å; V198-K201 PolarHBondContact O-N 2.92Å; V198-I202 HydrophobicContact CG1-CD1 3.79Å; V198-I202 HydrophobicContact CG1-CG1 4.29Å; V198-I202 WeakPolarHBondContact O-CG1 3.24Å; V198-I202 PolarHBondContact O-N 3.39Å
199K89.9Confident89.8Confident91 Ų9188.2 Ų88.240%0.39644%0.441SS..Hα-helixtrans-51.8-51.8174.3-178177.3-176.7173.20112.6I181 S197 K201 I202 Q203I181-K199 PolarHBondContact O-N 3.2Å; S197-K199 VanDerWaalsContact C-N 3.3Å; S197-K199 PolarHBondContact O-N 3.45Å; K199-K201 VanDerWaalsContact C-N 3.34Å; K199-K201 PolarHBondContact O-N 3.29Å; K199-I202 PolarHBondContact O-N 3.37Å; K199-Q203 WeakPolarHBondContact O-CG 3.01Å; K199-Q203 PolarHBondContact O-N 3.16Å
200T91.4Very high90Very high31 Ų3195.5 Ų95.519%0.1947%0.468CS..Hα-helixtrans-66.9-35.8-179.2-61.80000111.7D195 S197 V198 Q203 K204D195-T200 WeakPolarHBondContact OD2-CB 3.38Å; D195-T200 PolarHBondContact OD2-OG1 2.82Å; S197-T200 PolarHBondContact O-N 3.05Å; S197-T200 WeakPolarHBondContact OG-CB 3.44Å; S197-T200 PolarHBondContact OG-N 3.5Å; S197-T200 PolarHBondContact OG-OG1 3.11Å; S197-T200 VanDerWaalsContact OG-OG1 3.05Å; V198-T200 PolarHBondContact O-N 3.26Å; T200-Q203 PolarHBondContact O-N 3.26Å; T200-K204 HydrophobicContact CG2-CD 4.31Å; T200-K204 WeakPolarHBondContact O-CG 3.18Å; T200-K204 PolarHBondContact O-N 2.99Å
201K91.2Very high90.4Very high116 Ų116101.5 Ų101.550%0.50448%0.484SS..Hα-helixtrans-63-46.4175.1-70.7179.2-177.7-179.20112.1S197 V198 K199 Q203 K204 L205S197-K201 WeakPolarHBondContact O-CG 3.45Å; S197-K201 PolarHBondContact O-N 2.91Å; V198-K201 PolarHBondContact O-N 2.92Å; K199-K201 VanDerWaalsContact C-N 3.34Å; K199-K201 PolarHBondContact O-N 3.29Å; K201-Q203 VanDerWaalsContact C-N 3.33Å; K201-Q203 PolarHBondContact O-N 3.03Å; K201-K204 PolarHBondContact O-N 3.28Å; K201-L205 WeakPolarHBondContact O-CG 3.38Å; K201-L205 PolarHBondContact O-N 3.26Å
202I93Very high90.2Very high99 Ų9997.8 Ų97.851%0.50848%0.475SS..Hα-helixtrans-62.1-42.8176.9-65.6169.8000110.6V198 K199 K204 L205 G206V198-I202 HydrophobicContact CG1-CD1 3.79Å; V198-I202 HydrophobicContact CG1-CG1 4.29Å; V198-I202 WeakPolarHBondContact O-CG1 3.24Å; V198-I202 PolarHBondContact O-N 3.39Å; K199-I202 PolarHBondContact O-N 3.37Å; I202-K204 VanDerWaalsContact C-N 3.34Å; I202-K204 PolarHBondContact O-N 3.08Å; I202-L205 PolarHBondContact O-N 3.04Å; I202-G206 PolarHBondContact O-N 3.09Å
203Q91.8Very high88.7Confident91 Ų91101.2 Ų101.243%0.42550%0.499SS..Hα-helixtrans-62.1-40.2177.1-73.8-177.6-4.300112.8K199 T200 K201 R207K199-Q203 WeakPolarHBondContact O-CG 3.01Å; K199-Q203 PolarHBondContact O-N 3.16Å; T200-Q203 PolarHBondContact O-N 3.26Å; K201-Q203 VanDerWaalsContact C-N 3.33Å; K201-Q203 PolarHBondContact O-N 3.03Å; Q203-R207 VanDerWaalsContact O-CG 3.3Å; Q203-R207 WeakPolarHBondContact O-CG 3.37Å; Q203-R207 PolarHBondContact O-N 2.62Å
204K92.1Very high88.7Confident135 Ų13599.9 Ų99.959%0.58750%0.499SS*.Hα-helixtrans-63.7-45.1175.9-75.4175.8178.1-179.90111.6T200 K201 I202 R207 A208T200-K204 HydrophobicContact CG2-CD 4.31Å; T200-K204 WeakPolarHBondContact O-CG 3.18Å; T200-K204 PolarHBondContact O-N 2.99Å; K201-K204 PolarHBondContact O-N 3.28Å; I202-K204 VanDerWaalsContact C-N 3.34Å; I202-K204 PolarHBondContact O-N 3.08Å; K204-R207 PolarHBondContact O-N 2.9Å; K204-A208 PolarHBondContact O-N 3.26Å
205L93.1Very high88.7Confident117 Ų117101.1 Ų101.161%0.61350%0.501SS*.Hα-helixtrans-61.2-47176.3-69.3170.3000111.8K201 I202 R207 A208 M209K201-L205 WeakPolarHBondContact O-CG 3.38Å; K201-L205 PolarHBondContact O-N 3.26Å; I202-L205 PolarHBondContact O-N 3.04Å; L205-R207 PolarHBondContact O-N 3.33Å; L205-A208 PolarHBondContact O-N 3.47Å; L205-M209 WeakPolarHBondContact O-CG 3.31Å; L205-M209 PolarHBondContact O-N 3.01Å
206G93Very high88.6Confident25 Ų25104.5 Ų104.526%0.25852%0.517SS..Hα-helixtrans-68.4-19.2177.600000114.3I202 R210I202-G206 PolarHBondContact O-N 3.09Å; G206-R210 WeakPolarHBondContact O-CG 3.43Å; G206-R210 PolarHBondContact O-NE 3Å
207R93.8Very high88.6Confident152 Ų152104.1 Ų104.157%0.57452%0.515SS*.Hα-helixtrans-78.4-48.4169.4-76.4176.4-172.3-172.82.6110.9Q203 K204 L205 M209 R210 E211Q203-R207 VanDerWaalsContact O-CG 3.3Å; Q203-R207 WeakPolarHBondContact O-CG 3.37Å; Q203-R207 PolarHBondContact O-N 2.62Å; K204-R207 PolarHBondContact O-N 2.9Å; L205-R207 PolarHBondContact O-N 3.33Å; R207-M209 VanDerWaalsContact C-N 3.28Å; R207-M209 PolarHBondContact O-N 2.83Å; R207-R210 PolarHBondContact O-N 3.45Å; R207-E211 PolarHBondContact O-N 3.14Å
208A92.6Very high88.5Confident51 Ų51110.6 Ų110.642%0.42155%0.547SS..Hα-helixtrans-56.5-42.917800000112K204 L205 R210 E211 T212K204-A208 PolarHBondContact O-N 3.26Å; L205-A208 PolarHBondContact O-N 3.47Å; A208-R210 VanDerWaalsContact C-N 3.3Å; A208-R210 PolarHBondContact O-N 3.37Å; A208-E211 PolarHBondContact O-N 3.08Å; A208-T212 PolarHBondContact O-N 3.43Å; A208-T212 PolarHBondContact O-OG1 3.1Å; A208-T212 VanDerWaalsContact O-OG1 3.09Å
209M91.6Very high88.3Confident136 Ų136114 Ų11467%0.6756%0.559SS**Hα-helixtrans-64.9-29.6176.5-72.6178.6150.300114.1L205 R207 T212L205-M209 WeakPolarHBondContact O-CG 3.31Å; L205-M209 PolarHBondContact O-N 3.01Å; R207-M209 VanDerWaalsContact C-N 3.28Å; R207-M209 PolarHBondContact O-N 2.83Å; M209-T212 WeakPolarHBondContact CA-OG1 3.25Å; M209-T212 PolarHBondContact O-OG1 3.28Å
210R90.6Very high88.2Confident175 Ų175115.6 Ų115.666%0.6657%0.571SS**Hα-helixtrans-83.1-27.1178.7-83.8-176.3-74.9-172.7-4.3113.3G206 R207 A208 T212G206-R210 WeakPolarHBondContact O-CG 3.43Å; G206-R210 PolarHBondContact O-NE 3Å; R207-R210 PolarHBondContact O-N 3.45Å; A208-R210 VanDerWaalsContact C-N 3.3Å; A208-R210 PolarHBondContact O-N 3.37Å; R210-T212 VanDerWaalsContact C-N 3.34Å
211E90Very high87.9Confident166 Ų166122.2 Ų122.278%0.77660%0.6SS**Hα-helixtrans-76.8-23.9174.7-79.2175.5162.900112.4R207 A208 L213R207-E211 PolarHBondContact O-N 3.14Å; A208-E211 PolarHBondContact O-N 3.08Å; E211-L213 VanDerWaalsContact C-N 3.34Å
212T77Confident87.7Confident119 Ų119122.7 Ų122.773%0.7361%0.608SS**  trans-84.4-3.4177.847.50000114.7A208 M209 R210A208-T212 PolarHBondContact O-N 3.43Å; A208-T212 PolarHBondContact O-OG1 3.1Å; A208-T212 VanDerWaalsContact O-OG1 3.09Å; M209-T212 WeakPolarHBondContact CA-OG1 3.25Å; M209-T212 PolarHBondContact O-OG1 3.28Å; R210-T212 VanDerWaalsContact C-N 3.34Å
213L53.3Low87.2Confident206 Ų206124.8 Ų124.8100%1.07962%0.617SS**  trans-110.40176.3-83.4164.3000109.8E211E211-L213 VanDerWaalsContact C-N 3.34Å

Retrieved 213 of 213 residues in 94.8 ms (Link to these results)